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tRNA(Met) cytidine acetate ligase

Catalyzes the formation of N(4)-acetylcytidine (ac(4)C) at the wobble position of elongator tRNA(Met), using acetate and ATP as substrates. First activates an acetate ion to form acetyladenylate (Ac-AMP) and then transfers the acetyl group to tRNA to form ac(4)C34.

AlphaFold DB (Q2FZF4), UniProt , Accession Q99UX8, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene tmcAL, Length 379 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
1M93.4Very high97.3Very high84 Ų8422.2 Ų22.241%0.41411%0.106SC..  0123.50-70.3177.474.400106.7D31 Q323 Y324M1-D31 WeakPolarHBondContact CA-OD2 3.5Å; M1-D31 HydrophobicContact CB-CB 4.32Å; M1-D31 HydrophobicContact CE-CB 4.35Å; M1-Q323 HydrophobicContact CE-CB 4.25Å; M1-Q323 HydrophobicContact SD-CB 4.2Å; M1-Y324 HydrophobicContact CB-CD2 4.03Å; M1-Y324 HydrophobicContact SD-CD2 4.46Å
2K97.6Very high97.2Very high86 Ų8620.3 Ų20.337%0.37410%0.097SC..  trans-76.7133.5179.2-170173.7-172.3-178.40110.3T28 A30 D31 V32 D95K2-T28 WeakPolarHBondContact CD-O 3.47Å; K2-T28 WeakPolarHBondContact CE-O 3.36Å; K2-T28 PolarHBondContact NZ-O 3.38Å; K2-A30 CarbonylContact O-C 3.49Å; K2-D31 PolarHBondContact N-OD2 3.46Å; K2-D31 WeakPolarHBondContact O-CB 3.43Å; K2-D31 PolarHBondContact O-N 3.29Å; K2-V32 PolarHBondContact O-N 2.96Å; K2-D95 WeakPolarHBondContact CA-OD2 3.36Å; K2-D95 HydrophobicContact CG-CB 4.45Å
3S98.6Very high97.3Very high0 Ų018.8 Ų18.80%09%0.09CC..EExtended strand (participates in β ladder)trans-121.6145.8-172.161.60000112V32 V94 D95 T96 Y324S3-V32 WeakPolarHBondContact CA-O 3.39Å; S3-V94 VanDerWaalsContact OG-CA 3.32Å; S3-V94 WeakPolarHBondContact OG-CA 3.35Å; S3-D95 PolarHBondContact N-OD2 3.23Å; S3-D95 WeakPolarHBondContact O-CB 3.41Å; S3-D95 PolarHBondContact OG-N 2.73Å; S3-D95 PolarHBondContact OG-OD2 3.11Å; S3-T96 PolarHBondContact O-N 3.01Å; S3-Y324 PolarHBondContact OG-OH 3.33Å
4V98.8Very high97.1Very high0 Ų017.9 Ų17.90%09%0.085CC..EExtended strand (participates in β ladder)trans-125.1123.716964.90000110.2T28 A30 V32 T33 I34 T96 A98V4-T28 HydrophobicContact CB-CG2 4.32Å; V4-T28 HydrophobicContact CG2-CG2 3.95Å; V4-A30 HydrophobicContact CB-CB 3.88Å; V4-A30 HydrophobicContact CG1-CB 3.64Å; V4-V32 PolarHBondContact N-O 3.34Å; V4-T33 HydrophobicContact CG1-CG2 3.71Å; V4-T33 WeakPolarHBondContact O-CA 3.44Å; V4-I34 PolarHBondContact O-N 3.17Å; V4-T96 CarbonylContact C-O 3.3Å; V4-T96 VanDerWaalsContact CA-O 3.27Å; V4-T96 WeakPolarHBondContact CA-O 3.38Å; V4-T96 WeakPolarHBondContact CG2-O 3.49Å; V4-A98 HydrophobicContact CG2-CB 3.84Å
5G98.8Very high97Very high0 Ų018.7 Ų18.70%09%0.09CC..EExtended strand (participates in β ladder)trans-92.8138.8177.900000111.8I34 T96 I97 A98G5-I34 CarbonylContact C-O 3.45Å; G5-I34 VanDerWaalsContact CA-O 3.32Å; G5-I34 WeakPolarHBondContact CA-O 3.4Å; G5-T96 PolarHBondContact N-O 3.42Å; G5-I97 WeakPolarHBondContact O-CA 3.35Å; G5-A98 PolarHBondContact O-N 2.92Å
6L98.7Very high96.8Very high0 Ų018.8 Ų18.80%010%0.097CC..EExtended strand (participates in β ladder)trans-125.7118.2175.7-53.4105.9000108.3T8 H20 I21 I34 A35 I36L6-T8 HydrophobicContact CB-CG2 3.9Å; L6-H20 VanDerWaalsContact CD2-ND1 3.27Å; L6-H20 WeakPolarHBondContact CD2-ND1 3.48Å; L6-I21 HydrophobicContact CD1-CG1 4.23Å; L6-I21 HydrophobicContact CD2-CB 4.34Å; L6-I21 HydrophobicContact CD2-CG1 3.78Å; L6-I34 PolarHBondContact N-O 3.12Å; L6-A35 CarbonylContact O-C 3.5Å; L6-A35 WeakPolarHBondContact O-CA 3.38Å; L6-I36 PolarHBondContact O-N 2.86Å
7I98.3Very high96.7Very high18 Ų1819.9 Ų19.99%0.09210%0.102CC..EExtended strand (participates in β ladder)trans-91.1117.6178.1-60.7164.8000108.5I36 F81 A85 V86 I97 Y160I7-I36 WeakPolarHBondContact CA-O 3.19Å; I7-I36 HydrophobicContact CG1-CB 4.4Å; I7-I36 HydrophobicContact CG1-CD1 4.4Å; I7-F81 HydrophobicContact CG2-CE1 3.52Å; I7-F81 HydrophobicContact CG2-CZ 3.59Å; I7-A85 HydrophobicContact CB-CB 4.38Å; I7-A85 HydrophobicContact CD1-CB 3.59Å; I7-A85 HydrophobicContact CG1-CB 3.88Å; I7-A85 HydrophobicContact CG2-CB 3.59Å; I7-V86 HydrophobicContact CD1-CG2 4.37Å; I7-I97 HydrophobicContact CD1-CD1 4.2Å; I7-I97 HydrophobicContact CD1-CG2 4.24Å; I7-Y160 HydrophobicContact CB-CE1 4.08Å; I7-Y160 HydrophobicContact CD1-CD1 3.68Å; I7-Y160 HydrophobicContact CD1-CE1 3.53Å; I7-Y160 HydrophobicContact CD1-CG 4.39Å; I7-Y160 HydrophobicContact CG1-CE1 4.42Å; I7-Y160 HydrophobicContact CG2-CE1 3.89Å; I7-Y160 WeakPolarHBondContact CG2-OH 3.31Å
8T96.4Very high96.6Very high15 Ų1521.9 Ų21.99%0.09211%0.111CC..EExtended strand (participates in β ladder)trans-145.1162.3-164.377.70000114.8L6 Y10 I36 M37 S38L6-T8 HydrophobicContact CB-CG2 3.9Å; T8-Y10 VanDerWaalsContact CB-CE1 3.48Å; T8-Y10 HydrophobicContact CG2-CD1 4.15Å; T8-Y10 HydrophobicContact CG2-CE1 3.44Å; T8-Y10 VanDerWaalsContact CG2-CE1 3.44Å; T8-Y10 HydrophobicContact CG2-CE2 4.16Å; T8-Y10 VanDerWaalsContact CG2-CZ 3.44Å; T8-Y10 WeakPolarHBondContact CG2-OH 3.22Å; T8-Y10 VanDerWaalsContact OG1-CD2 3.22Å; T8-Y10 WeakPolarHBondContact OG1-CD2 3.47Å; T8-Y10 WeakPolarHBondContact OG1-CE1 3.46Å; T8-Y10 WeakPolarHBondContact OG1-CE2 3.44Å; T8-Y10 VanDerWaalsContact OG1-CZ 3.3Å; T8-I36 PolarHBondContact N-O 3.42Å; T8-M37 WeakPolarHBondContact O-CA 3.26Å; T8-S38 PolarHBondContact O-N 2.93Å
9E95.9Very high96.5Very high34 Ų3424.4 Ų24.416%0.15912%0.119CC..  trans-104.9-33167.9-62.2-179.4147.500111.8N11 V42 M43 R44 R55E9-N11 HydrophobicContact CB-CB 4.36Å; E9-N11 PolarHBondContact O-N 3.39Å; E9-V42 HydrophobicContact CB-CB 4.26Å; E9-V42 HydrophobicContact CB-CG1 4.07Å; E9-V42 HydrophobicContact CG-CB 3.96Å; E9-V42 HydrophobicContact CG-CG1 4.3Å; E9-V42 WeakPolarHBondContact OE1-CB 3.29Å; E9-M43 WeakPolarHBondContact OE1-CA 3.4Å; E9-M43 WeakPolarHBondContact OE1-CB 3.2Å; E9-M43 PolarHBondContact OE1-N 3.33Å; E9-R44 PolarHBondContact OE1-N 3.02Å; E9-R44 IonicContact OE2-NE 3.26Å; E9-R44 PolarHBondContact OE2-NE 2.65Å; E9-R55 PolarHBondContact O-NH1 3.19Å
10Y96.3Very high96.5Very high2 Ų224.7 Ų24.71%0.00812%0.121CC..  trans43.555-174.8-62.7-28000113.7T8 P12 F13 H17 I21 A35 M37 R55 A59T8-Y10 VanDerWaalsContact CB-CE1 3.48Å; T8-Y10 HydrophobicContact CG2-CD1 4.15Å; T8-Y10 HydrophobicContact CG2-CE1 3.44Å; T8-Y10 VanDerWaalsContact CG2-CE1 3.44Å; T8-Y10 HydrophobicContact CG2-CE2 4.16Å; T8-Y10 VanDerWaalsContact CG2-CZ 3.44Å; T8-Y10 WeakPolarHBondContact CG2-OH 3.22Å; T8-Y10 VanDerWaalsContact OG1-CD2 3.22Å; T8-Y10 WeakPolarHBondContact OG1-CD2 3.47Å; T8-Y10 WeakPolarHBondContact OG1-CE1 3.46Å; T8-Y10 WeakPolarHBondContact OG1-CE2 3.44Å; T8-Y10 VanDerWaalsContact OG1-CZ 3.3Å; Y10-P12 VanDerWaalsContact C-CA 3.5Å; Y10-P12 CarbonylContact C-O 3.52Å; Y10-P12 CarbonylContact O-C 3.49Å; Y10-P12 VanDerWaalsContact O-C 3.26Å; Y10-P12 WeakPolarHBondContact O-CA 3.4Å; Y10-F13 AromaticContact CD1-CD2 3.78Å; Y10-F13 HydrophobicContact CD1-CD2 3.78Å; Y10-F13 HydrophobicContact CD1-CE2 4.24Å; Y10-F13 AromaticContact CD2-CD2 3.92Å; Y10-F13 HydrophobicContact CD2-CD2 3.92Å; Y10-F13 HydrophobicContact CD2-CE2 4.41Å; Y10-F13 AromaticContact CE1-CD2 3.98Å; Y10-F13 HydrophobicContact CE1-CD2 3.98Å; Y10-F13 AromaticContact CE1-CE2 3.96Å; Y10-F13 HydrophobicContact CE1-CE2 3.96Å; Y10-F13 HydrophobicContact CE2-CD2 4.12Å; Y10-F13 HydrophobicContact CE2-CE2 4.14Å; Y10-F13 AromaticContact CG-CD2 3.75Å; Y10-F13 HydrophobicContact CG-CD2 3.75Å; Y10-F13 HydrophobicContact CG-CE2 4.46Å; Y10-F13 AromaticContact CZ-CE2 3.92Å; Y10-H17 HydrophobicContact CD1-CB 4.02Å; Y10-H17 AromaticContact CD1-CD2 3.78Å; Y10-H17 AromaticContact CD1-CE1 3.79Å; Y10-H17 AromaticContact CD1-CG 3.54Å; Y10-H17 AromaticContact CD1-ND1 3.52Å; Y10-H17 AromaticContact CD1-NE2 3.92Å; Y10-H17 HydrophobicContact CE1-CB 3.75Å; Y10-H17 AromaticContact CE1-CD2 3.84Å; Y10-H17 AromaticContact CE1-CG 3.67Å; Y10-I21 WeakPolarHBondContact OH-CD1 3.3Å; Y10-A35 HydrophobicContact CE2-CB 3.65Å; Y10-M37 HydrophobicContact CD2-CG 4.15Å; Y10-M37 HydrophobicContact CD2-SD 3.8Å; Y10-M37 HydrophobicContact CG-SD 4.42Å; Y10-R55 WeakPolarHBondContact O-CD 3.39Å; Y10-A59 HydrophobicContact CD2-CB 3.64Å; Y10-A59 HydrophobicContact CE2-CB 3.69Å
11N96.9Very high96.5Very high5 Ų523.5 Ų23.53%0.02712%0.115CC..SBendtrans-113.675.6-171.2-172.725.8000113.7E9 V42 A48 I49 R200E9-N11 HydrophobicContact CB-CB 4.36Å; E9-N11 PolarHBondContact O-N 3.39Å; N11-V42 HydrophobicContact CB-CG1 4.35Å; N11-A48 VanDerWaalsContact OD1-CA 3.27Å; N11-A48 WeakPolarHBondContact OD1-CA 3.32Å; N11-I49 WeakPolarHBondContact OD1-CG2 2.99Å; N11-I49 PolarHBondContact OD1-N 3.49Å; N11-R200 PolarHBondContact O-NH1 3.12Å
12P97Very high96.7Very high0 Ų023.3 Ų23.30%012%0.115CC..SBendcis-89.6-174.4-8.337.5-35.2000112.6Y10 H17 I49 Y50 I199 I203 Y222Y10-P12 VanDerWaalsContact C-CA 3.5Å; Y10-P12 CarbonylContact C-O 3.52Å; Y10-P12 CarbonylContact O-C 3.49Å; Y10-P12 VanDerWaalsContact O-C 3.26Å; Y10-P12 WeakPolarHBondContact O-CA 3.4Å; P12-H17 PolarHBondContact O-CE1 3.31Å; P12-H17 PolarHBondContact O-ND1 3.11Å; P12-I49 HydrophobicContact CB-CG2 4.13Å; P12-I49 HydrophobicContact CG-CG2 4.4Å; P12-Y50 HydrophobicContact CB-CD2 3.93Å; P12-Y50 HydrophobicContact CB-CE2 3.86Å; P12-Y50 HydrophobicContact CG-CE2 4.48Å; P12-I199 HydrophobicContact CG-CG2 3.63Å; P12-I203 HydrophobicContact CG-CD1 4.43Å; P12-Y222 HydrophobicContact CB-CE1 3.74Å; P12-Y222 HydrophobicContact CG-CE1 3.51Å
13F97.7Very high96.6Very high0 Ų021.8 Ų21.80%011%0.109CC..  trans-81.6114.7-179.4-173.2-88.1000113.2Y10 H17 Q18 I21 M58 A59 P215 I218 Y222Y10-F13 AromaticContact CD1-CD2 3.78Å; Y10-F13 HydrophobicContact CD1-CD2 3.78Å; Y10-F13 HydrophobicContact CD1-CE2 4.24Å; Y10-F13 AromaticContact CD2-CD2 3.92Å; Y10-F13 HydrophobicContact CD2-CD2 3.92Å; Y10-F13 HydrophobicContact CD2-CE2 4.41Å; Y10-F13 AromaticContact CE1-CD2 3.98Å; Y10-F13 HydrophobicContact CE1-CD2 3.98Å; Y10-F13 AromaticContact CE1-CE2 3.96Å; Y10-F13 HydrophobicContact CE1-CE2 3.96Å; Y10-F13 HydrophobicContact CE2-CD2 4.12Å; Y10-F13 HydrophobicContact CE2-CE2 4.14Å; Y10-F13 AromaticContact CG-CD2 3.75Å; Y10-F13 HydrophobicContact CG-CD2 3.75Å; Y10-F13 HydrophobicContact CG-CE2 4.46Å; Y10-F13 AromaticContact CZ-CE2 3.92Å; F13-H17 HydrophobicContact CD2-CB 3.83Å; F13-H17 HydrophobicContact CE2-CB 3.57Å; F13-H17 HydrophobicContact CG-CB 4.41Å; F13-H17 HydrophobicContact CZ-CB 3.97Å; F13-Q18 HydrophobicContact CE1-CB 4.07Å; F13-Q18 HydrophobicContact CZ-CB 4.15Å; F13-I21 HydrophobicContact CE2-CD1 3.68Å; F13-I21 HydrophobicContact CZ-CD1 3.8Å; F13-M58 HydrophobicContact CB-CB 3.77Å; F13-M58 HydrophobicContact CG-CB 4.43Å; F13-A59 HydrophobicContact CD2-CB 4.26Å; F13-A59 HydrophobicContact CE2-CB 4.48Å; F13-P215 HydrophobicContact CD1-CG 4.32Å; F13-P215 HydrophobicContact CE1-CG 4.1Å; F13-I218 HydrophobicContact CB-CD1 4.34Å; F13-I218 HydrophobicContact CD1-CD1 3.63Å; F13-I218 HydrophobicContact CE1-CD1 4.46Å; F13-I218 HydrophobicContact CG-CD1 4.41Å; F13-Y222 VanDerWaalsContact C-OH 3.28Å; F13-Y222 PolarHBondContact N-OH 3.1Å; F13-Y222 PolarHBondContact O-OH 2.88Å
14H95.5Very high96.6Very high6 Ų621.8 Ų21.83%0.02811%0.109CC..  trans-123.7177.8-172.260.865.5000113.2G16 H17 Q18 I199 V213 V214H14-G16 VanDerWaalsContact C-N 3.28Å; H14-G16 WeakPolarHBondContact ND1-CA 3.43Å; H14-G16 PolarHBondContact ND1-N 3.45Å; H14-G16 VanDerWaalsContact ND1-N 3.11Å; H14-G16 PolarHBondContact O-N 3.27Å; H14-H17 AromaticContact CD2-CE1 3.33Å; H14-H17 PolarHBondContact CD2-CE1 3.23Å; H14-H17 AromaticContact CD2-ND1 3.51Å; H14-H17 AromaticContact CE1-CD2 3.81Å; H14-H17 AromaticContact CE1-CE1 3.69Å; H14-H17 AromaticContact CE1-CG 3.83Å; H14-H17 AromaticContact CE1-ND1 3.77Å; H14-H17 AromaticContact CE1-NE2 3.75Å; H14-H17 AromaticContact CG-ND1 3.76Å; H14-H17 PolarHBondContact N-ND1 3.36Å; H14-H17 PolarHBondContact ND1-N 3.13Å; H14-H17 AromaticContact ND1-ND1 3.91Å; H14-H17 AromaticContact NE2-CD2 3.9Å; H14-H17 AromaticContact NE2-CE1 3.08Å; H14-H17 PolarHBondContact NE2-CE1 3.4Å; H14-H17 AromaticContact NE2-CG 3.99Å; H14-H17 AromaticContact NE2-ND1 3.53Å; H14-H17 AromaticContact NE2-NE2 3.37Å; H14-H17 PolarHBondContact NE2-NE2 3.42Å; H14-H17 WeakPolarHBondContact O-CA 3.34Å; H14-H17 WeakPolarHBondContact O-CB 3.04Å; H14-H17 PolarHBondContact O-N 2.95Å; H14-Q18 PolarHBondContact O-N 2.92Å; H14-I199 HydrophobicContact CB-CD1 3.33Å; H14-V213 WeakPolarHBondContact CB-O 3.41Å; H14-V214 HydrophobicContact CB-CG1 4.14Å
15N95.1Very high96.6Very high30 Ų3024.2 Ų24.216%0.1612%0.12CC..Hα-helixtrans-55.5-40-176.5-72.5-14.1000113.2H17 Q18 Y19 Q192 F193 H212 V213 V214 P215N15-H17 VanDerWaalsContact C-N 3.27Å; N15-H17 PolarHBondContact O-N 3.45Å; N15-Q18 PolarHBondContact O-N 3.2Å; N15-Y19 WeakPolarHBondContact O-CB 3.32Å; N15-Y19 PolarHBondContact O-N 2.59Å; N15-Q192 VanDerWaalsContact CB-O 3.24Å; N15-Q192 WeakPolarHBondContact CB-O 3.42Å; N15-Q192 PolarHBondContact ND2-O 3.48Å; N15-F193 HydrophobicContact CB-CD1 4.1Å; N15-F193 HydrophobicContact CB-CE1 4.15Å; N15-H212 PolarHBondContact ND2-O 3.34Å; N15-V213 WeakPolarHBondContact CB-O 3.39Å; N15-V213 VanDerWaalsContact CG-C 3.49Å; N15-V213 PolarHBondContact N-O 2.94Å; N15-V213 VanDerWaalsContact ND2-C 3.28Å; N15-V213 WeakPolarHBondContact ND2-CA 3.23Å; N15-V214 WeakPolarHBondContact OD1-CA 3.02Å; N15-V214 PolarHBondContact OD1-O 3.35Å; N15-P215 VanDerWaalsContact OD1-CD 3.3Å; N15-P215 WeakPolarHBondContact OD1-CD 3.36Å
16G92.9Very high96.5Very high20 Ų2031.9 Ų31.921%0.20615%0.153CC..Hα-helixtrans-58.2-34.8174.100000114.1H14 H20H14-G16 VanDerWaalsContact C-N 3.28Å; H14-G16 WeakPolarHBondContact ND1-CA 3.43Å; H14-G16 PolarHBondContact ND1-N 3.45Å; H14-G16 VanDerWaalsContact ND1-N 3.11Å; H14-G16 PolarHBondContact O-N 3.27Å; G16-H20 WeakPolarHBondContact O-CB 3.32Å; G16-H20 PolarHBondContact O-N 2.95Å
17H95.4Very high96.4Very high38 Ų3837.2 Ų37.218%0.17618%0.182CC..Hα-helixtrans-71.5-43.7174.6-63.6142000111.6Y10 P12 F13 H14 N15 Y19 H20 I21Y10-H17 HydrophobicContact CD1-CB 4.02Å; Y10-H17 AromaticContact CD1-CD2 3.78Å; Y10-H17 AromaticContact CD1-CE1 3.79Å; Y10-H17 AromaticContact CD1-CG 3.54Å; Y10-H17 AromaticContact CD1-ND1 3.52Å; Y10-H17 AromaticContact CD1-NE2 3.92Å; Y10-H17 HydrophobicContact CE1-CB 3.75Å; Y10-H17 AromaticContact CE1-CD2 3.84Å; Y10-H17 AromaticContact CE1-CG 3.67Å; P12-H17 PolarHBondContact O-CE1 3.31Å; P12-H17 PolarHBondContact O-ND1 3.11Å; F13-H17 HydrophobicContact CD2-CB 3.83Å; F13-H17 HydrophobicContact CE2-CB 3.57Å; F13-H17 HydrophobicContact CG-CB 4.41Å; F13-H17 HydrophobicContact CZ-CB 3.97Å; H14-H17 AromaticContact CD2-CE1 3.33Å; H14-H17 PolarHBondContact CD2-CE1 3.23Å; H14-H17 AromaticContact CD2-ND1 3.51Å; H14-H17 AromaticContact CE1-CD2 3.81Å; H14-H17 AromaticContact CE1-CE1 3.69Å; H14-H17 AromaticContact CE1-CG 3.83Å; H14-H17 AromaticContact CE1-ND1 3.77Å; H14-H17 AromaticContact CE1-NE2 3.75Å; H14-H17 AromaticContact CG-ND1 3.76Å; H14-H17 PolarHBondContact N-ND1 3.36Å; H14-H17 PolarHBondContact ND1-N 3.13Å; H14-H17 AromaticContact ND1-ND1 3.91Å; H14-H17 AromaticContact NE2-CD2 3.9Å; H14-H17 AromaticContact NE2-CE1 3.08Å; H14-H17 PolarHBondContact NE2-CE1 3.4Å; H14-H17 AromaticContact NE2-CG 3.99Å; H14-H17 AromaticContact NE2-ND1 3.53Å; H14-H17 AromaticContact NE2-NE2 3.37Å; H14-H17 PolarHBondContact NE2-NE2 3.42Å; H14-H17 WeakPolarHBondContact O-CA 3.34Å; H14-H17 WeakPolarHBondContact O-CB 3.04Å; H14-H17 PolarHBondContact O-N 2.95Å; N15-H17 VanDerWaalsContact C-N 3.27Å; N15-H17 PolarHBondContact O-N 3.45Å; H17-Y19 VanDerWaalsContact C-N 3.34Å; H17-Y19 PolarHBondContact O-N 3.33Å; H17-H20 PolarHBondContact O-N 3.04Å; H17-I21 WeakPolarHBondContact O-CG1 3.23Å; H17-I21 PolarHBondContact O-N 3.14Å
18Q96Very high96.4Very high56 Ų5636.8 Ų36.826%0.26218%0.179SC..Hα-helixtrans-58.1-47.4175.2175.9173.584.100111.2F13 H14 N15 H20 I21 N22 T62 P215F13-Q18 HydrophobicContact CE1-CB 4.07Å; F13-Q18 HydrophobicContact CZ-CB 4.15Å; H14-Q18 PolarHBondContact O-N 2.92Å; N15-Q18 PolarHBondContact O-N 3.2Å; Q18-H20 PolarHBondContact O-N 2.87Å; Q18-I21 PolarHBondContact O-N 3.34Å; Q18-N22 WeakPolarHBondContact O-CB 3.34Å; Q18-N22 VanDerWaalsContact O-CG 3.32Å; Q18-N22 PolarHBondContact O-N 3.33Å; Q18-N22 PolarHBondContact O-ND2 3.42Å; Q18-T62 HydrophobicContact CB-CG2 4.45Å; Q18-T62 HydrophobicContact CG-CG2 3.91Å; Q18-T62 PolarHBondContact NE2-OG1 3.07Å; Q18-P215 HydrophobicContact CB-CG 4.33Å
19Y94.6Very high96.4Very high69 Ų6942.2 Ų42.227%0.27121%0.208SC..Hα-helixtrans-56.5-49.8174.1175-94.3000111.4N15 H17 I21 N22 Q23 E179 F193N15-Y19 WeakPolarHBondContact O-CB 3.32Å; N15-Y19 PolarHBondContact O-N 2.59Å; H17-Y19 VanDerWaalsContact C-N 3.34Å; H17-Y19 PolarHBondContact O-N 3.33Å; Y19-I21 PolarHBondContact O-N 3.47Å; Y19-N22 PolarHBondContact O-N 3.29Å; Y19-Q23 HydrophobicContact CD1-CG 4.06Å; Y19-Q23 HydrophobicContact CD2-CG 4.02Å; Y19-Q23 HydrophobicContact CE1-CG 3.66Å; Y19-Q23 HydrophobicContact CE2-CG 3.65Å; Y19-Q23 HydrophobicContact CG-CG 4.22Å; Y19-Q23 VanDerWaalsContact CZ-CG 3.45Å; Y19-Q23 WeakPolarHBondContact O-CB 3.46Å; Y19-Q23 VanDerWaalsContact O-CG 3.29Å; Y19-Q23 WeakPolarHBondContact O-CG 3.34Å; Y19-Q23 PolarHBondContact O-N 3.3Å; Y19-Q23 PolarHBondContact OH-NE2 2.94Å; Y19-E179 HydrophobicContact CE1-CG 4.17Å; Y19-F193 HydrophobicContact CD2-CZ 4.42Å; Y19-F193 HydrophobicContact CG-CE1 4.48Å; Y19-F193 HydrophobicContact CG-CZ 4.35Å
20H95Very high96.6Very high31 Ų3141 Ų4114%0.14420%0.203CC..Hα-helixtrans-58.2-44.1180-176-102.1000112.5L6 G16 H17 Q18 S24 A98 G100L6-H20 VanDerWaalsContact CD2-ND1 3.27Å; L6-H20 WeakPolarHBondContact CD2-ND1 3.48Å; G16-H20 WeakPolarHBondContact O-CB 3.32Å; G16-H20 PolarHBondContact O-N 2.95Å; H17-H20 PolarHBondContact O-N 3.04Å; Q18-H20 PolarHBondContact O-N 2.87Å; H20-S24 VanDerWaalsContact O-CB 3.26Å; H20-S24 WeakPolarHBondContact O-CB 3.41Å; H20-S24 PolarHBondContact O-N 3.14Å; H20-S24 PolarHBondContact O-OG 3.46Å; H20-A98 PolarHBondContact CE1-O 3.47Å; H20-G100 PolarHBondContact NE2-N 3.48Å; H20-G100 VanDerWaalsContact NE2-N 3.2Å
21I97.7Very high96.6Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-62.5-49.7176.2-65162.9000111L6 Y10 F13 H17 Q18 Y19 Q23 S24 K25 T33 T62 A63L6-I21 HydrophobicContact CD1-CG1 4.23Å; L6-I21 HydrophobicContact CD2-CB 4.34Å; L6-I21 HydrophobicContact CD2-CG1 3.78Å; Y10-I21 WeakPolarHBondContact OH-CD1 3.3Å; F13-I21 HydrophobicContact CE2-CD1 3.68Å; F13-I21 HydrophobicContact CZ-CD1 3.8Å; H17-I21 WeakPolarHBondContact O-CG1 3.23Å; H17-I21 PolarHBondContact O-N 3.14Å; Q18-I21 PolarHBondContact O-N 3.34Å; Y19-I21 PolarHBondContact O-N 3.47Å; I21-Q23 PolarHBondContact O-N 3.29Å; I21-S24 PolarHBondContact O-N 3.15Å; I21-K25 WeakPolarHBondContact O-CB 3.44Å; I21-K25 PolarHBondContact O-N 3.42Å; I21-T33 HydrophobicContact CG2-CG2 3.79Å; I21-T62 HydrophobicContact CB-CG2 3.83Å; I21-T62 HydrophobicContact CD1-CG2 3.99Å; I21-T62 HydrophobicContact CG2-CG2 3.74Å; I21-A63 HydrophobicContact CD1-CB 4.26Å
22N97.1Very high96.7Very high79 Ų7944.4 Ų44.442%0.42222%0.222SC..Hα-helixtrans-62-43.5-177.4-72.8-25.8000111.8Q18 Y19 K25 K26 T62Q18-N22 WeakPolarHBondContact O-CB 3.34Å; Q18-N22 VanDerWaalsContact O-CG 3.32Å; Q18-N22 PolarHBondContact O-N 3.33Å; Q18-N22 PolarHBondContact O-ND2 3.42Å; Y19-N22 PolarHBondContact O-N 3.29Å; N22-K25 PolarHBondContact O-N 3.41Å; N22-K26 WeakPolarHBondContact O-CB 3.25Å; N22-K26 PolarHBondContact O-N 3.17Å; N22-T62 WeakPolarHBondContact OD1-CG2 3.03Å
23Q96.4Very high96.8Very high54 Ų5444.5 Ų44.525%0.25222%0.222SC..Hα-helixtrans-66.2-41.9176.8-68.6-64.292.400112Y19 I21 K25 K26 L27 I176Y19-Q23 HydrophobicContact CD1-CG 4.06Å; Y19-Q23 HydrophobicContact CD2-CG 4.02Å; Y19-Q23 HydrophobicContact CE1-CG 3.66Å; Y19-Q23 HydrophobicContact CE2-CG 3.65Å; Y19-Q23 HydrophobicContact CG-CG 4.22Å; Y19-Q23 VanDerWaalsContact CZ-CG 3.45Å; Y19-Q23 WeakPolarHBondContact O-CB 3.46Å; Y19-Q23 VanDerWaalsContact O-CG 3.29Å; Y19-Q23 WeakPolarHBondContact O-CG 3.34Å; Y19-Q23 PolarHBondContact O-N 3.3Å; Y19-Q23 PolarHBondContact OH-NE2 2.94Å; I21-Q23 PolarHBondContact O-N 3.29Å; Q23-K25 PolarHBondContact O-N 3.27Å; Q23-K26 PolarHBondContact O-N 3.25Å; Q23-L27 WeakPolarHBondContact O-CB 3.3Å; Q23-L27 WeakPolarHBondContact O-CG 3.37Å; Q23-L27 PolarHBondContact O-N 3.03Å; Q23-I176 HydrophobicContact CB-CD1 4.42Å; Q23-I176 HydrophobicContact CB-CG2 4.26Å
24S97.8Very high96.9Very high0 Ų044.5 Ų44.50%022%0.222CC..Hα-helixtrans-59.7-46.9175.8-59.40000111.1H20 I21 T28 A98H20-S24 VanDerWaalsContact O-CB 3.26Å; H20-S24 WeakPolarHBondContact O-CB 3.41Å; H20-S24 PolarHBondContact O-N 3.14Å; H20-S24 PolarHBondContact O-OG 3.46Å; I21-S24 PolarHBondContact O-N 3.15Å; S24-T28 WeakPolarHBondContact O-CB 3.48Å; S24-T28 WeakPolarHBondContact O-CG2 3.39Å; S24-T28 PolarHBondContact O-N 3.43Å; S24-T28 VanDerWaalsContact O-N 3.09Å; S24-T28 PolarHBondContact O-OG1 2.94Å; S24-A98 WeakPolarHBondContact OG-CB 3.3Å
25K98.1Very high97Very high51 Ų5144.2 Ų44.222%0.22222%0.221CC..Hα-helixtrans-60.2-46.8177-170.5173.3-171.1153.30111.8I21 N22 Q23 T28 N29 A30 D31 T33 D64I21-K25 WeakPolarHBondContact O-CB 3.44Å; I21-K25 PolarHBondContact O-N 3.42Å; N22-K25 PolarHBondContact O-N 3.41Å; Q23-K25 PolarHBondContact O-N 3.27Å; K25-T28 PolarHBondContact O-OG1 3.3Å; K25-N29 WeakPolarHBondContact O-CA 3.3Å; K25-N29 PolarHBondContact O-N 2.69Å; K25-A30 WeakPolarHBondContact CE-O 3.37Å; K25-A30 WeakPolarHBondContact CG-O 3.4Å; K25-A30 PolarHBondContact O-N 2.64Å; K25-A30 VanDerWaalsContact O-N 3.11Å; K25-D31 PolarHBondContact NZ-O 3.28Å; K25-T33 HydrophobicContact CB-CG2 3.81Å; K25-T33 HydrophobicContact CD-CG2 3.84Å; K25-T33 HydrophobicContact CG-CG2 3.99Å; K25-D64 IonicContact NZ-OD2 3.89Å; K25-D64 PolarHBondContact NZ-OD2 3.23Å
26K97.6Very high97.2Very high161 Ų16142.8 Ų42.870%0.721%0.213SC*.Hα-helixtrans-62.2-51.1179.5-178.2178.7176.9179.90112.3N22 Q23 T28 N29N22-K26 WeakPolarHBondContact O-CB 3.25Å; N22-K26 PolarHBondContact O-N 3.17Å; Q23-K26 PolarHBondContact O-N 3.25Å; K26-T28 VanDerWaalsContact C-N 3.32Å; K26-T28 PolarHBondContact O-N 3.47Å; K26-N29 PolarHBondContact O-N 3.11Å
27L96.5Very high97.5Very high113 Ų11341.8 Ų41.859%0.59220%0.204SC*.Hα-helixtrans-68.6-31-175.9-72.8169.6000113Q23 I174 I176Q23-L27 WeakPolarHBondContact O-CB 3.3Å; Q23-L27 WeakPolarHBondContact O-CG 3.37Å; Q23-L27 PolarHBondContact O-N 3.03Å; L27-I174 HydrophobicContact CB-CD1 4.19Å; L27-I176 HydrophobicContact CD1-CD1 3.46Å; L27-I176 VanDerWaalsContact CD1-CD1 3.46Å
28T97.7Very high97.6Very high8 Ų840 Ų405%0.04920%0.195CC..Hα-helixtrans-87.6-11.4176.857.20000113K2 V4 S24 K25 K26 A30 T96 I174K2-T28 WeakPolarHBondContact CD-O 3.47Å; K2-T28 WeakPolarHBondContact CE-O 3.36Å; K2-T28 PolarHBondContact NZ-O 3.38Å; V4-T28 HydrophobicContact CB-CG2 4.32Å; V4-T28 HydrophobicContact CG2-CG2 3.95Å; S24-T28 WeakPolarHBondContact O-CB 3.48Å; S24-T28 WeakPolarHBondContact O-CG2 3.39Å; S24-T28 PolarHBondContact O-N 3.43Å; S24-T28 VanDerWaalsContact O-N 3.09Å; S24-T28 PolarHBondContact O-OG1 2.94Å; K25-T28 PolarHBondContact O-OG1 3.3Å; K26-T28 VanDerWaalsContact C-N 3.32Å; K26-T28 PolarHBondContact O-N 3.47Å; T28-A30 PolarHBondContact O-N 2.82Å; T28-A30 VanDerWaalsContact OG1-CB 3.25Å; T28-A30 WeakPolarHBondContact OG1-CB 3.38Å; T28-A30 PolarHBondContact OG1-N 2.89Å; T28-T96 HydrophobicContact CG2-CG2 3.66Å; T28-I174 HydrophobicContact CG2-CD1 3.47Å; T28-I174 VanDerWaalsContact CG2-CD1 3.47Å; T28-I174 HydrophobicContact CG2-CG1 4.26Å
29N97.8Very high97.7Very high130 Ų13037.5 Ų37.570%0.69518%0.184SC*.THydrogen-bonded Turntrans50.642.2-166.6-165.542.7000111.6K25 K26K25-N29 WeakPolarHBondContact O-CA 3.3Å; K25-N29 PolarHBondContact O-N 2.69Å; K26-N29 PolarHBondContact O-N 3.11Å
30A98.3Very high97.9Very high7 Ų734.3 Ų34.36%0.05817%0.172CC..  trans-79.4139.6-178.100000111.8K2 V4 K25 T28K2-A30 CarbonylContact O-C 3.49Å; V4-A30 HydrophobicContact CB-CB 3.88Å; V4-A30 HydrophobicContact CG1-CB 3.64Å; K25-A30 WeakPolarHBondContact CE-O 3.37Å; K25-A30 WeakPolarHBondContact CG-O 3.4Å; K25-A30 PolarHBondContact O-N 2.64Å; K25-A30 VanDerWaalsContact O-N 3.11Å; T28-A30 PolarHBondContact O-N 2.82Å; T28-A30 VanDerWaalsContact OG1-CB 3.25Å; T28-A30 WeakPolarHBondContact OG1-CB 3.38Å; T28-A30 PolarHBondContact OG1-N 2.89Å
31D98.3Very high98.1Very high80 Ų8033.1 Ų33.143%0.42817%0.166SC..SBendtrans-73.5-36.4172.8-59.6-48.5000111M1 K2 K25M1-D31 WeakPolarHBondContact CA-OD2 3.5Å; M1-D31 HydrophobicContact CB-CB 4.32Å; M1-D31 HydrophobicContact CE-CB 4.35Å; K2-D31 PolarHBondContact N-OD2 3.46Å; K2-D31 WeakPolarHBondContact O-CB 3.43Å; K2-D31 PolarHBondContact O-N 3.29Å; K25-D31 PolarHBondContact NZ-O 3.28Å
32V98.6Very high98.1Very high0 Ų033.1 Ų33.10%017%0.166CC..EExtended strand (participates in β ladder)trans-133.6140.5-17369.50000112.1K2 S3 V4 I34 D64 Y324K2-V32 PolarHBondContact O-N 2.96Å; S3-V32 WeakPolarHBondContact CA-O 3.39Å; V4-V32 PolarHBondContact N-O 3.34Å; V32-I34 HydrophobicContact CG1-CD1 4.48Å; V32-I34 HydrophobicContact CG2-CG1 4.48Å; V32-D64 HydrophobicContact CG2-CB 3.62Å; V32-Y324 HydrophobicContact CB-CG 4.47Å; V32-Y324 HydrophobicContact CG1-CD1 4.29Å; V32-Y324 HydrophobicContact CG1-CD2 3.59Å; V32-Y324 HydrophobicContact CG1-CE2 3.97Å; V32-Y324 HydrophobicContact CG1-CG 3.75Å; V32-Y324 HydrophobicContact CG2-CG 4.3Å
33T98.8Very high98Very high1 Ų130.9 Ų30.91%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-109.4130.617554.90000110.8V4 I21 K25 A63 D64 L65V4-T33 HydrophobicContact CG1-CG2 3.71Å; V4-T33 WeakPolarHBondContact O-CA 3.44Å; I21-T33 HydrophobicContact CG2-CG2 3.79Å; K25-T33 HydrophobicContact CB-CG2 3.81Å; K25-T33 HydrophobicContact CD-CG2 3.84Å; K25-T33 HydrophobicContact CG-CG2 3.99Å; T33-A63 WeakPolarHBondContact OG1-CA 3.47Å; T33-D64 PolarHBondContact N-OD2 3.47Å; T33-D64 WeakPolarHBondContact O-CB 3.48Å; T33-D64 PolarHBondContact O-N 3.17Å; T33-D64 VanDerWaalsContact O-N 3.08Å; T33-D64 PolarHBondContact OG1-N 2.93Å; T33-D64 PolarHBondContact OG1-OD2 2.98Å; T33-L65 PolarHBondContact O-N 2.95Å
34I98.9Very high97.9Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-122.4110.6-173.8-53.6170.7000108.7V4 G5 L6 V32 L65 I67 V94 Y324V4-I34 PolarHBondContact O-N 3.17Å; G5-I34 CarbonylContact C-O 3.45Å; G5-I34 VanDerWaalsContact CA-O 3.32Å; G5-I34 WeakPolarHBondContact CA-O 3.4Å; L6-I34 PolarHBondContact N-O 3.12Å; V32-I34 HydrophobicContact CG1-CD1 4.48Å; V32-I34 HydrophobicContact CG2-CG1 4.48Å; I34-L65 CarbonylContact C-O 3.52Å; I34-L65 WeakPolarHBondContact CA-O 3.42Å; I34-L65 HydrophobicContact CG1-CB 4.29Å; I34-L65 HydrophobicContact CG1-CD2 4.31Å; I34-L65 HydrophobicContact CG2-CB 4.45Å; I34-L65 HydrophobicContact CG2-CD2 4.28Å; I34-L65 HydrophobicContact CG2-CG 4.4Å; I34-I67 HydrophobicContact CG2-CG1 3.94Å; I34-V94 HydrophobicContact CD1-CG2 4.01Å; I34-Y324 HydrophobicContact CD1-CD1 3.79Å; I34-Y324 HydrophobicContact CD1-CE1 3.25Å; I34-Y324 HydrophobicContact CG1-CE1 4.42Å
35A98.8Very high97.8Very high0 Ų033.1 Ų33.10%016%0.16CC..EExtended strand (participates in β ladder)trans-85.7118.1172.500000110.1L6 Y10 A63 L65 V66 I67L6-A35 CarbonylContact O-C 3.5Å; L6-A35 WeakPolarHBondContact O-CA 3.38Å; Y10-A35 HydrophobicContact CE2-CB 3.65Å; A35-A63 HydrophobicContact CB-CB 4.25Å; A35-L65 PolarHBondContact N-O 3.43Å; A35-V66 HydrophobicContact CB-CG1 4.42Å; A35-V66 HydrophobicContact CB-CG2 4.36Å; A35-V66 CarbonylContact O-C 3.26Å; A35-V66 WeakPolarHBondContact O-CA 3.02Å; A35-I67 PolarHBondContact O-N 3.08Å
36I98.8Very high97.8Very high0 Ų031.9 Ų31.90%016%0.155CC..EExtended strand (participates in β ladder)trans-95.296.2169.8-60.1169000106.3L6 I7 T8 I67 L69 V88 A89L6-I36 PolarHBondContact O-N 2.86Å; I7-I36 WeakPolarHBondContact CA-O 3.19Å; I7-I36 HydrophobicContact CG1-CB 4.4Å; I7-I36 HydrophobicContact CG1-CD1 4.4Å; T8-I36 PolarHBondContact N-O 3.42Å; I36-I67 WeakPolarHBondContact CA-O 3.39Å; I36-L69 HydrophobicContact CG2-CB 4.06Å; I36-L69 HydrophobicContact CG2-CD1 3.73Å; I36-L69 HydrophobicContact CG2-CG 4.43Å; I36-V88 HydrophobicContact CD1-CB 4.47Å; I36-V88 HydrophobicContact CD1-CG1 4.1Å; I36-V88 HydrophobicContact CG1-CG1 4.15Å; I36-V88 HydrophobicContact CG2-CB 4.24Å; I36-V88 HydrophobicContact CG2-CG1 3.85Å; I36-A89 HydrophobicContact CD1-CB 3.56Å
37M98.7Very high97.8Very high0 Ų024.5 Ų24.50%012%0.124CC..EExtended strand (participates in β ladder)trans-109.3133.8-163.7-171.4-175.569.400111.4T8 Y10 K52 R55 A56 V66 I67 L69 L315T8-M37 WeakPolarHBondContact O-CA 3.26Å; Y10-M37 HydrophobicContact CD2-CG 4.15Å; Y10-M37 HydrophobicContact CD2-SD 3.8Å; Y10-M37 HydrophobicContact CG-SD 4.42Å; M37-K52 WeakPolarHBondContact CE-O 3.47Å; M37-R55 HydrophobicContact CE-CB 4.02Å; M37-R55 HydrophobicContact SD-CB 3.89Å; M37-A56 HydrophobicContact CE-CB 3.96Å; M37-V66 HydrophobicContact CB-CG1 4.02Å; M37-V66 HydrophobicContact CE-CG1 4.02Å; M37-V66 HydrophobicContact SD-CG1 4.33Å; M37-I67 PolarHBondContact N-O 3.49Å; M37-L69 PolarHBondContact O-N 3.37Å; M37-L315 HydrophobicContact CE-CD1 3.71Å
38S98.4Very high97.8Very high0 Ų019.1 Ų19.10%010%0.096CC..EExtended strand (participates in β ladder)trans-54.6141.9172-58.70000111.7T8 R55T8-S38 PolarHBondContact O-N 2.93Å; S38-R55 PolarHBondContact O-NH1 2.97Å; S38-R55 PolarHBondContact O-NH2 3.02Å
39G98.4Very high97.8Very high3 Ų318.9 Ų18.93%0.0319%0.094CC..  trans-65.1-15617100000112.4F41 R55G39-F41 PolarHBondContact O-N 2.92Å; G39-R55 PolarHBondContact O-NH2 3.25Å
40N98.4Very high97.9Very high2 Ų212.8 Ų12.81%0.0116%0.061CC..SBendtrans-62.7-10-172.7-69.2-41.9000115.7A48 N51 K52 T356 Y359N40-A48 PolarHBondContact O-N 3.1Å; N40-N51 WeakPolarHBondContact OD1-CA 3.45Å; N40-K52 PolarHBondContact OD1-N 2.72Å; N40-T356 VanDerWaalsContact ND2-CA 3.3Å; N40-T356 WeakPolarHBondContact ND2-CA 3.26Å; N40-T356 PolarHBondContact ND2-OG1 3.36Å; N40-T356 VanDerWaalsContact ND2-OG1 3.09Å; N40-Y359 HydrophobicContact CB-CD2 3.59Å; N40-Y359 HydrophobicContact CB-CE2 4.2Å; N40-Y359 HydrophobicContact CB-CG 3.92Å
41F98.4Very high97.9Very high6 Ų612.5 Ų12.53%0.0266%0.058CC..EExtended strand (participates in β ladder)trans-128143.9176.8-61.1-94.9000109.2G39 E46 P47 L75 I232 M294 L297 L298 A355G39-F41 PolarHBondContact O-N 2.92Å; F41-E46 WeakPolarHBondContact CA-O 3.19Å; F41-P47 HydrophobicContact CD1-CB 4.27Å; F41-P47 HydrophobicContact CE1-CB 4.21Å; F41-L75 HydrophobicContact CB-CD1 4.17Å; F41-L75 HydrophobicContact CB-CD2 4.04Å; F41-L75 HydrophobicContact CB-CG 4.28Å; F41-I232 HydrophobicContact CE1-CD1 4.02Å; F41-M294 HydrophobicContact CD1-CG 4.27Å; F41-M294 HydrophobicContact CD1-SD 3.68Å; F41-M294 HydrophobicContact CE1-SD 3.88Å; F41-L297 HydrophobicContact CE1-CD2 3.78Å; F41-L297 HydrophobicContact CZ-CD2 4.08Å; F41-L298 HydrophobicContact CD2-CD1 3.77Å; F41-L298 HydrophobicContact CD2-CD2 4.23Å; F41-L298 HydrophobicContact CD2-CG 4.47Å; F41-L298 HydrophobicContact CE2-CD1 4.05Å; F41-L298 HydrophobicContact CE2-CD2 3.63Å; F41-L298 HydrophobicContact CE2-CG 4.29Å; F41-L298 HydrophobicContact CG-CD1 4.11Å; F41-L298 HydrophobicContact CZ-CD2 3.83Å; F41-L298 HydrophobicContact CZ-CG 4.45Å; F41-A355 HydrophobicContact CD2-CB 4.05Å; F41-A355 HydrophobicContact CE2-CB 4.02Å
42V97.7Very high97.9Very high0 Ų08.7 Ų8.70%04%0.038CC..EExtended strand (participates in β ladder)trans-116.8164.5-168.7-56.30000112.1E9 N11 R44 G45 E46 A48 S74E9-V42 HydrophobicContact CB-CB 4.26Å; E9-V42 HydrophobicContact CB-CG1 4.07Å; E9-V42 HydrophobicContact CG-CB 3.96Å; E9-V42 HydrophobicContact CG-CG1 4.3Å; E9-V42 WeakPolarHBondContact OE1-CB 3.29Å; N11-V42 HydrophobicContact CB-CG1 4.35Å; V42-R44 HydrophobicContact CG2-CB 4.17Å; V42-R44 PolarHBondContact O-N 3.26Å; V42-G45 PolarHBondContact O-N 2.77Å; V42-E46 HydrophobicContact CG2-CG 3.52Å; V42-E46 WeakPolarHBondContact CG2-O 3.41Å; V42-E46 PolarHBondContact N-O 3.09Å; V42-A48 HydrophobicContact CG1-CB 4.01Å; V42-S74 CarbonylContact C-O 3.36Å
43M95.7Very high97.9Very high33 Ų338.9 Ų8.916%0.1634%0.039CC..THydrogen-bonded Turntrans-58.4-22.9-176.4-168.7-166.8153.100114.1E9 G45 S74 F81 L156 R291E9-M43 WeakPolarHBondContact OE1-CA 3.4Å; E9-M43 WeakPolarHBondContact OE1-CB 3.2Å; E9-M43 PolarHBondContact OE1-N 3.33Å; M43-G45 PolarHBondContact O-N 3.43Å; M43-S74 WeakPolarHBondContact CA-O 3.08Å; M43-S74 PolarHBondContact N-O 3.43Å; M43-S74 VanDerWaalsContact N-O 3.15Å; M43-F81 HydrophobicContact CB-CD2 4.05Å; M43-F81 HydrophobicContact CB-CE2 4.09Å; M43-F81 HydrophobicContact CG-CB 4.3Å; M43-F81 HydrophobicContact CG-CD2 3.97Å; M43-F81 HydrophobicContact CG-CE2 4.43Å; M43-F81 HydrophobicContact CG-CG 4.02Å; M43-F81 HydrophobicContact SD-CB 4.01Å; M43-F81 HydrophobicContact SD-CD1 3.52Å; M43-F81 VanDerWaalsContact SD-CD1 3.52Å; M43-F81 HydrophobicContact SD-CD2 4Å; M43-F81 HydrophobicContact SD-CE1 3.93Å; M43-F81 HydrophobicContact SD-CE2 4.36Å; M43-F81 HydrophobicContact SD-CG 3.57Å; M43-F81 VanDerWaalsContact SD-CG 3.57Å; M43-F81 HydrophobicContact SD-CZ 4.33Å; M43-L156 HydrophobicContact CE-CD1 4.2Å; M43-L156 HydrophobicContact SD-CD1 4.14Å; M43-R291 VanDerWaalsContact O-CD 3.28Å; M43-R291 WeakPolarHBondContact O-CD 3.45Å; M43-R291 WeakPolarHBondContact O-CG 3.49Å; M43-R291 PolarHBondContact O-NH1 3.06Å
44R93.4Very high97.8Very high100 Ų10010.1 Ų10.138%0.3775%0.046SC..THydrogen-bonded Turntrans-69.1-5.1171.8-62178.7-173.3-92.2-0.5114.1E9 V42 E46 Q290E9-R44 PolarHBondContact OE1-N 3.02Å; E9-R44 IonicContact OE2-NE 3.26Å; E9-R44 PolarHBondContact OE2-NE 2.65Å; V42-R44 HydrophobicContact CG2-CB 4.17Å; V42-R44 PolarHBondContact O-N 3.26Å; R44-E46 HydrophobicContact CB-CG 4.09Å; R44-Q290 PolarHBondContact O-OE1 3.21Å
45G96.7Very high97.8Very high0 Ų010.1 Ų10.10%05%0.046CC..THydrogen-bonded Turntrans74.638.6178.700000112.6V42 M43 Q290 M294V42-G45 PolarHBondContact O-N 2.77Å; M43-G45 PolarHBondContact O-N 3.43Å; G45-Q290 WeakPolarHBondContact O-CB 3.29Å; G45-M294 VanDerWaalsContact C-CG 3.42Å; G45-M294 VanDerWaalsContact O-CG 3.31Å; G45-M294 WeakPolarHBondContact O-CG 3.4Å
46E96.8Very high97.8Very high25 Ų2510.1 Ų10.112%0.1175%0.046CC..EExtended strand (participates in β ladder)trans-140.5161.2-178.566.1-176.9-169.100109.1F41 V42 R44 R200 L229F41-E46 WeakPolarHBondContact CA-O 3.19Å; V42-E46 HydrophobicContact CG2-CG 3.52Å; V42-E46 WeakPolarHBondContact CG2-O 3.41Å; V42-E46 PolarHBondContact N-O 3.09Å; R44-E46 HydrophobicContact CB-CG 4.09Å; E46-R200 IonicContact OE1-CZ 3.85Å; E46-R200 VanDerWaalsContact OE1-CZ 3.29Å; E46-R200 IonicContact OE1-NE 3.04Å; E46-R200 IonicContact OE1-NH1 3.95Å; E46-R200 IonicContact OE1-NH2 3.43Å; E46-R200 PolarHBondContact OE1-NH2 2.89Å; E46-R200 IonicContact OE2-NH2 3.82Å; E46-L229 HydrophobicContact CB-CD2 3.98Å; E46-L229 HydrophobicContact CB-CG 4.44Å
47P97.7Very high97.7Very high7 Ų714.8 Ų14.85%0.0457%0.067CC..EExtended strand (participates in β ladder)trans-67.9151.1168.734-39.4000110.2F41 I227 I232 Y359F41-P47 HydrophobicContact CD1-CB 4.27Å; F41-P47 HydrophobicContact CE1-CB 4.21Å; P47-I227 HydrophobicContact CB-CD1 4.3Å; P47-I227 HydrophobicContact CB-CG2 3.68Å; P47-I227 HydrophobicContact CG-CG1 4.45Å; P47-I227 HydrophobicContact CG-CG2 3.87Å; P47-I232 HydrophobicContact CB-CD1 3.47Å; P47-I232 VanDerWaalsContact CB-CD1 3.47Å; P47-I232 HydrophobicContact CG-CD1 3.25Å; P47-I232 HydrophobicContact CG-CG1 4.31Å; P47-Y359 HydrophobicContact CB-CD2 4.5Å; P47-Y359 HydrophobicContact CB-CE2 4.2Å
48A98.3Very high97.7Very high0 Ų014.8 Ų14.80%07%0.067CC..  trans-68.6139.3163.400000109.7N11 N40 V42 Y50 I227 Y359N11-A48 VanDerWaalsContact OD1-CA 3.27Å; N11-A48 WeakPolarHBondContact OD1-CA 3.32Å; N40-A48 PolarHBondContact O-N 3.1Å; V42-A48 HydrophobicContact CG1-CB 4.01Å; A48-Y50 VanDerWaalsContact CB-O 3.29Å; A48-Y50 WeakPolarHBondContact CB-O 3.28Å; A48-Y50 PolarHBondContact O-N 2.9Å; A48-Y50 VanDerWaalsContact O-N 3.15Å; A48-I227 WeakPolarHBondContact O-CG2 3.5Å; A48-Y359 WeakPolarHBondContact O-CE2 3.28Å; A48-Y359 PolarHBondContact O-OH 3.1Å
49I97.8Very high97.7Very high2 Ų214.8 Ų14.81%0.017%0.067CC..SBendtrans-58.7-29.6-178.6-168.9171000112.7N11 P12 R200 I203 I204 H226 I227 Y359N11-I49 WeakPolarHBondContact OD1-CG2 2.99Å; N11-I49 PolarHBondContact OD1-N 3.49Å; P12-I49 HydrophobicContact CB-CG2 4.13Å; P12-I49 HydrophobicContact CG-CG2 4.4Å; I49-R200 HydrophobicContact CB-CG 4.21Å; I49-R200 HydrophobicContact CD1-CB 4.08Å; I49-R200 HydrophobicContact CD1-CG 3.82Å; I49-R200 HydrophobicContact CG2-CG 4.16Å; I49-I203 HydrophobicContact CD1-CB 4.4Å; I49-I203 HydrophobicContact CD1-CD1 4.35Å; I49-I203 HydrophobicContact CD1-CG2 4.11Å; I49-I204 HydrophobicContact CD1-CG1 4.48Å; I49-H226 HydrophobicContact CD1-CB 4.35Å; I49-H226 HydrophobicContact CG1-CB 3.97Å; I49-I227 PolarHBondContact O-N 3.15Å; I49-I227 VanDerWaalsContact O-N 3.11Å; I49-Y359 PolarHBondContact O-OH 2.71Å
50Y98.3Very high97.7Very high3 Ų314.7 Ų14.71%0.0127%0.066CC..SBendtrans-121.7150.9171.6-57.7-69000110.3P12 A48 T54 R55 M58 Y222 V223 H226 Y359P12-Y50 HydrophobicContact CB-CD2 3.93Å; P12-Y50 HydrophobicContact CB-CE2 3.86Å; P12-Y50 HydrophobicContact CG-CE2 4.48Å; A48-Y50 VanDerWaalsContact CB-O 3.29Å; A48-Y50 WeakPolarHBondContact CB-O 3.28Å; A48-Y50 PolarHBondContact O-N 2.9Å; A48-Y50 VanDerWaalsContact O-N 3.15Å; Y50-T54 HydrophobicContact CD1-CG2 4.38Å; Y50-T54 HydrophobicContact CG-CG2 4.19Å; Y50-R55 PolarHBondContact O-NE 3.48Å; Y50-M58 HydrophobicContact CD2-CE 3.67Å; Y50-M58 HydrophobicContact CD2-SD 4.2Å; Y50-M58 HydrophobicContact CE2-CE 3.76Å; Y50-M58 HydrophobicContact CG-CE 4.23Å; Y50-Y222 AromaticContact CE2-CD1 3.94Å; Y50-Y222 HydrophobicContact CE2-CD1 3.94Å; Y50-Y222 HydrophobicContact CE2-CE1 4.22Å; Y50-Y222 HydrophobicContact CE2-CG 4.39Å; Y50-Y222 VanDerWaalsContact OH-CA 3.29Å; Y50-Y222 WeakPolarHBondContact OH-CA 3.41Å; Y50-V223 VanDerWaalsContact CE1-O 3.29Å; Y50-V223 WeakPolarHBondContact CE1-O 3.45Å; Y50-H226 AromaticContact CE1-CD2 3.25Å; Y50-H226 WeakPolarHBondContact CE1-CD2 3.49Å; Y50-H226 AromaticContact CE1-NE2 3.54Å; Y50-H226 AromaticContact CZ-CD2 3.59Å; Y50-H226 AromaticContact CZ-NE2 3.66Å; Y50-H226 PolarHBondContact OH-CD2 3.17Å; Y50-H226 PolarHBondContact OH-NE2 3.35Å; Y50-Y359 WeakPolarHBondContact CA-OH 3.45Å
51N98.1Very high97.6Very high0 Ų015.1 Ų15.10%07%0.069CC..  trans-59.5161.7174.974.138.2000111.9N40 F53 T54 R55 Y359 Q365 Q367N40-N51 WeakPolarHBondContact OD1-CA 3.45Å; N51-F53 PolarHBondContact O-N 2.93Å; N51-F53 WeakPolarHBondContact OD1-CA 3.15Å; N51-F53 WeakPolarHBondContact OD1-CB 3.32Å; N51-F53 PolarHBondContact OD1-N 3.06Å; N51-T54 PolarHBondContact O-N 3.13Å; N51-T54 PolarHBondContact OD1-N 3.37Å; N51-T54 PolarHBondContact OD1-OG1 3.21Å; N51-R55 PolarHBondContact O-N 3.04Å; N51-Y359 HydrophobicContact CB-CD1 4.27Å; N51-Y359 HydrophobicContact CB-CE1 3.79Å; N51-Y359 PolarHBondContact N-OH 3.26Å; N51-Q365 VanDerWaalsContact ND2-CD 3.35Å; N51-Q365 PolarHBondContact ND2-NE2 3.31Å; N51-Q365 PolarHBondContact ND2-OE1 3.43Å; N51-Q367 PolarHBondContact ND2-OE1 3.04Å
52K98.4Very high97.5Very high0 Ų015.6 Ų15.60%07%0.072CC..Hα-helixtrans-60.4-28.7-177.866.8-176.3-178.9-177.30113.9M37 N40 A56 E68 L315 T356 D369M37-K52 WeakPolarHBondContact CE-O 3.47Å; N40-K52 PolarHBondContact OD1-N 2.72Å; K52-A56 WeakPolarHBondContact O-CB 3.44Å; K52-A56 PolarHBondContact O-N 3.36Å; K52-E68 WeakPolarHBondContact CD-OE1 3.49Å; K52-E68 WeakPolarHBondContact CE-OE1 3.27Å; K52-E68 IonicContact NZ-OE1 2.72Å; K52-E68 PolarHBondContact NZ-OE1 3.13Å; K52-E68 IonicContact NZ-OE2 3.29Å; K52-E68 PolarHBondContact NZ-OE2 2.95Å; K52-L315 HydrophobicContact CB-CD1 4.26Å; K52-L315 HydrophobicContact CD-CD2 4.13Å; K52-L315 HydrophobicContact CG-CD2 4.33Å; K52-T356 WeakPolarHBondContact CE-OG1 3.44Å; K52-T356 PolarHBondContact NZ-OG1 3.44Å; K52-D369 WeakPolarHBondContact CE-OD1 3.29Å; K52-D369 IonicContact NZ-OD1 2.67Å; K52-D369 PolarHBondContact NZ-OD1 3.22Å; K52-D369 IonicContact NZ-OD2 3.45Å; K52-D369 PolarHBondContact NZ-OD2 3.18Å
53F98.3Very high97.6Very high4 Ų415.6 Ų15.62%0.0187%0.072CC..Hα-helixtrans-72.1-48.8179.6-51.5-65.9000111N51 R55 A56 K57 L315 T356 Q367 T372 I375N51-F53 PolarHBondContact O-N 2.93Å; N51-F53 WeakPolarHBondContact OD1-CA 3.15Å; N51-F53 WeakPolarHBondContact OD1-CB 3.32Å; N51-F53 PolarHBondContact OD1-N 3.06Å; F53-R55 PolarHBondContact O-N 2.95Å; F53-A56 PolarHBondContact O-N 2.92Å; F53-K57 PolarHBondContact O-N 2.92Å; F53-L315 HydrophobicContact CD1-CD2 4.41Å; F53-L315 HydrophobicContact CE1-CD2 4.29Å; F53-T356 HydrophobicContact CE2-CG2 4.17Å; F53-Q367 HydrophobicContact CD2-CB 3.73Å; F53-Q367 HydrophobicContact CE2-CB 4.01Å; F53-T372 HydrophobicContact CB-CG2 4.14Å; F53-T372 HydrophobicContact CD1-CG2 3.52Å; F53-T372 HydrophobicContact CD2-CG2 4.24Å; F53-T372 HydrophobicContact CE1-CG2 3.91Å; F53-T372 HydrophobicContact CG-CG2 3.71Å; F53-T372 HydrophobicContact CZ-CG2 4.43Å; F53-I375 HydrophobicContact CB-CD1 4.18Å; F53-I375 WeakPolarHBondContact O-CD1 3.27Å
54T98.1Very high97.7Very high27 Ų2714.2 Ų14.217%0.1667%0.065CC..Hα-helixtrans-60.4-45.6174.7-63.70000111Y50 N51 A56 K57 M58Y50-T54 HydrophobicContact CD1-CG2 4.38Å; Y50-T54 HydrophobicContact CG-CG2 4.19Å; N51-T54 PolarHBondContact O-N 3.13Å; N51-T54 PolarHBondContact OD1-N 3.37Å; N51-T54 PolarHBondContact OD1-OG1 3.21Å; T54-A56 PolarHBondContact O-N 2.85Å; T54-K57 WeakPolarHBondContact O-CB 3.42Å; T54-K57 PolarHBondContact O-N 3.41Å; T54-M58 HydrophobicContact CG2-CE 3.68Å; T54-M58 HydrophobicContact CG2-SD 4.37Å; T54-M58 WeakPolarHBondContact O-CG 3.43Å; T54-M58 PolarHBondContact O-N 3.16Å
55R98.4Very high98Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-63.9-37.8175.8-71.8-173.6-67.1117.37.9113.2E9 Y10 M37 S38 G39 Y50 N51 F53 K57 M58 A59E9-R55 PolarHBondContact O-NH1 3.19Å; Y10-R55 WeakPolarHBondContact O-CD 3.39Å; M37-R55 HydrophobicContact CE-CB 4.02Å; M37-R55 HydrophobicContact SD-CB 3.89Å; S38-R55 PolarHBondContact O-NH1 2.97Å; S38-R55 PolarHBondContact O-NH2 3.02Å; G39-R55 PolarHBondContact O-NH2 3.25Å; Y50-R55 PolarHBondContact O-NE 3.48Å; N51-R55 PolarHBondContact O-N 3.04Å; F53-R55 PolarHBondContact O-N 2.95Å; R55-K57 VanDerWaalsContact C-N 3.34Å; R55-M58 WeakPolarHBondContact O-CB 3.48Å; R55-M58 PolarHBondContact O-N 3.01Å; R55-A59 WeakPolarHBondContact O-CB 3.44Å; R55-A59 PolarHBondContact O-N 3.25Å
56A98.5Very high98.1Very high0 Ų09.4 Ų9.40%05%0.047CC..Hα-helixtrans-65-39.4175.200000111.5M37 K52 F53 T54 A59 L60 V66 L315 A316 I375M37-A56 HydrophobicContact CE-CB 3.96Å; K52-A56 WeakPolarHBondContact O-CB 3.44Å; K52-A56 PolarHBondContact O-N 3.36Å; F53-A56 PolarHBondContact O-N 2.92Å; T54-A56 PolarHBondContact O-N 2.85Å; A56-A59 PolarHBondContact O-N 2.98Å; A56-L60 PolarHBondContact O-N 3.34Å; A56-V66 HydrophobicContact CB-CB 4.35Å; A56-V66 HydrophobicContact CB-CG1 3.97Å; A56-L315 HydrophobicContact CB-CB 3.64Å; A56-L315 HydrophobicContact CB-CD1 4.26Å; A56-A316 HydrophobicContact CB-CB 3.88Å; A56-I375 HydrophobicContact CB-CD1 4.32Å
57K98.1Very high98.1Very high98 Ų988.2 Ų8.243%0.4264%0.042SC..Hα-helixtrans-62.4-43.4172.8-169.6177.4176.8-174.70111.7F53 T54 R55 L60 L221 I375F53-K57 PolarHBondContact O-N 2.92Å; T54-K57 WeakPolarHBondContact O-CB 3.42Å; T54-K57 PolarHBondContact O-N 3.41Å; R55-K57 VanDerWaalsContact C-N 3.34Å; K57-L60 WeakPolarHBondContact O-CB 3.45Å; K57-L60 PolarHBondContact O-N 2.95Å; K57-L221 HydrophobicContact CB-CD1 4.26Å; K57-L221 HydrophobicContact CD-CD1 4.01Å; K57-L221 HydrophobicContact CD-CD2 3.81Å; K57-L221 HydrophobicContact CG-CD1 3.85Å; K57-I375 HydrophobicContact CB-CD1 4.26Å; K57-I375 HydrophobicContact CB-CG2 4.37Å; K57-I375 HydrophobicContact CG-CG2 4.3Å
58M98.1Very high98.2Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-60.2-46.7174.4-68.2168.5173.100111.5F13 Y50 T54 R55 L60 S61 I218 L221 Y222F13-M58 HydrophobicContact CB-CB 3.77Å; F13-M58 HydrophobicContact CG-CB 4.43Å; Y50-M58 HydrophobicContact CD2-CE 3.67Å; Y50-M58 HydrophobicContact CD2-SD 4.2Å; Y50-M58 HydrophobicContact CE2-CE 3.76Å; Y50-M58 HydrophobicContact CG-CE 4.23Å; T54-M58 HydrophobicContact CG2-CE 3.68Å; T54-M58 HydrophobicContact CG2-SD 4.37Å; T54-M58 WeakPolarHBondContact O-CG 3.43Å; T54-M58 PolarHBondContact O-N 3.16Å; R55-M58 WeakPolarHBondContact O-CB 3.48Å; R55-M58 PolarHBondContact O-N 3.01Å; M58-L60 VanDerWaalsContact C-N 3.26Å; M58-L60 PolarHBondContact O-N 2.82Å; M58-S61 VanDerWaalsContact O-CB 3.31Å; M58-S61 WeakPolarHBondContact O-CB 3.29Å; M58-S61 PolarHBondContact O-N 2.75Å; M58-S61 PolarHBondContact O-OG 2.77Å; M58-I218 HydrophobicContact CB-CD1 3.97Å; M58-I218 HydrophobicContact CG-CD1 4.23Å; M58-L221 HydrophobicContact CE-CB 3.7Å; M58-L221 WeakPolarHBondContact CE-O 3.42Å; M58-L221 HydrophobicContact CG-CB 4.09Å; M58-L221 HydrophobicContact CG-CD1 3.79Å; M58-Y222 HydrophobicContact CE-CD2 3.7Å; M58-Y222 HydrophobicContact CE-CE2 3.74Å; M58-Y222 HydrophobicContact CE-CG 4.17Å; M58-Y222 HydrophobicContact SD-CE2 4.14Å
59A98.2Very high98.2Very high0 Ų08.4 Ų8.40%04%0.042CC..Hα-helixtrans-60.5-34.6178.900000112.7Y10 F13 R55 A56 S61 T62 A63 V66Y10-A59 HydrophobicContact CD2-CB 3.64Å; Y10-A59 HydrophobicContact CE2-CB 3.69Å; F13-A59 HydrophobicContact CD2-CB 4.26Å; F13-A59 HydrophobicContact CE2-CB 4.48Å; R55-A59 WeakPolarHBondContact O-CB 3.44Å; R55-A59 PolarHBondContact O-N 3.25Å; A56-A59 PolarHBondContact O-N 2.98Å; A59-S61 PolarHBondContact O-N 3.19Å; A59-T62 PolarHBondContact O-N 2.72Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 3.35Å; A59-V66 HydrophobicContact CB-CG2 3.97Å
60L97.5Very high98.1Very high2 Ų29.5 Ų9.51%0.015%0.049CC..THydrogen-bonded Turntrans-65.7-14.7-179.6-159.567.4000114.4A56 K57 M58 T62 A316 N318 I375 Q377 R379A56-L60 PolarHBondContact O-N 3.34Å; K57-L60 WeakPolarHBondContact O-CB 3.45Å; K57-L60 PolarHBondContact O-N 2.95Å; M58-L60 VanDerWaalsContact C-N 3.26Å; M58-L60 PolarHBondContact O-N 2.82Å; L60-T62 PolarHBondContact O-N 3.07Å; L60-A316 HydrophobicContact CD1-CB 4.26Å; L60-A316 HydrophobicContact CD2-CB 4.23Å; L60-N318 HydrophobicContact CD1-CB 4.24Å; L60-I375 HydrophobicContact CD2-CG2 4.27Å; L60-Q377 HydrophobicContact CD2-CB 3.39Å; L60-Q377 HydrophobicContact CG-CB 4.09Å; L60-Q377 PolarHBondContact O-OE1 2.84Å; L60-R379 PolarHBondContact O-NH2 3.17Å
61S96.5Very high98Very high11 Ų119.8 Ų9.88%0.0775%0.052CC..THydrogen-bonded Turntrans-55.8-28.8167.462.90000112.7M58 A59 I218 R379M58-S61 VanDerWaalsContact O-CB 3.31Å; M58-S61 WeakPolarHBondContact O-CB 3.29Å; M58-S61 PolarHBondContact O-N 2.75Å; M58-S61 PolarHBondContact O-OG 2.77Å; A59-S61 PolarHBondContact O-N 3.19Å; S61-I218 VanDerWaalsContact CB-CG2 3.45Å; S61-R379 PolarHBondContact O-NH2 3.35Å
62T97.6Very high97.8Very high16 Ų169.9 Ų9.910%0.0985%0.053CC..THydrogen-bonded Turntrans-130.8-41.4-175.9-45.80000113Q18 I21 N22 A59 L60Q18-T62 HydrophobicContact CB-CG2 4.45Å; Q18-T62 HydrophobicContact CG-CG2 3.91Å; Q18-T62 PolarHBondContact NE2-OG1 3.07Å; I21-T62 HydrophobicContact CB-CG2 3.83Å; I21-T62 HydrophobicContact CD1-CG2 3.99Å; I21-T62 HydrophobicContact CG2-CG2 3.74Å; N22-T62 WeakPolarHBondContact OD1-CG2 3.03Å; A59-T62 PolarHBondContact O-N 2.72Å; L60-T62 PolarHBondContact O-N 3.07Å
63A98.3Very high97.7Very high0 Ų09.9 Ų9.90%05%0.053CC..  trans-76.115517700000111.8I21 T33 A35 A59I21-A63 HydrophobicContact CD1-CB 4.26Å; T33-A63 WeakPolarHBondContact OG1-CA 3.47Å; A35-A63 HydrophobicContact CB-CB 4.25Å; A59-A63 WeakPolarHBondContact O-CB 3.37Å; A59-A63 PolarHBondContact O-N 3.35Å
64D98.6Very high97.6Very high3 Ų39.7 Ų9.72%0.0165%0.052CC..SBendtrans-94.4-32.5-180-60.3-67000112.8K25 V32 T33 M317 N318 R320 G321K25-D64 IonicContact NZ-OD2 3.89Å; K25-D64 PolarHBondContact NZ-OD2 3.23Å; V32-D64 HydrophobicContact CG2-CB 3.62Å; T33-D64 PolarHBondContact N-OD2 3.47Å; T33-D64 WeakPolarHBondContact O-CB 3.48Å; T33-D64 PolarHBondContact O-N 3.17Å; T33-D64 VanDerWaalsContact O-N 3.08Å; T33-D64 PolarHBondContact OG1-N 2.93Å; T33-D64 PolarHBondContact OG1-OD2 2.98Å; D64-M317 WeakPolarHBondContact O-CA 3.37Å; D64-N318 WeakPolarHBondContact CA-ND2 3.44Å; D64-N318 PolarHBondContact O-N 3.1Å; D64-N318 PolarHBondContact O-OD1 3.28Å; D64-N318 PolarHBondContact OD1-ND2 3.39Å; D64-R320 HydrophobicContact CB-CB 4.18Å; D64-G321 WeakPolarHBondContact O-CA 3.36Å
65L98.7Very high97.5Very high0 Ų08.5 Ų8.50%04%0.044CC..EExtended strand (participates in β ladder)trans-141.1136.5-179.6-17761.7000110.2T33 I34 A35 I67 M92 V314 M317 Y324T33-L65 PolarHBondContact O-N 2.95Å; I34-L65 CarbonylContact C-O 3.52Å; I34-L65 WeakPolarHBondContact CA-O 3.42Å; I34-L65 HydrophobicContact CG1-CB 4.29Å; I34-L65 HydrophobicContact CG1-CD2 4.31Å; I34-L65 HydrophobicContact CG2-CB 4.45Å; I34-L65 HydrophobicContact CG2-CD2 4.28Å; I34-L65 HydrophobicContact CG2-CG 4.4Å; A35-L65 PolarHBondContact N-O 3.43Å; L65-I67 HydrophobicContact CD1-CD1 4.17Å; L65-I67 HydrophobicContact CD2-CD1 4.06Å; L65-I67 HydrophobicContact CD2-CG1 4.47Å; L65-I67 HydrophobicContact CG-CD1 3.89Å; L65-I67 HydrophobicContact CG-CG1 4.28Å; L65-M92 HydrophobicContact CD2-CE 3.54Å; L65-V314 HydrophobicContact CD1-CG1 3.6Å; L65-M317 HydrophobicContact CD1-CB 3.69Å; L65-Y324 HydrophobicContact CD2-CD1 4.15Å
66V98.9Very high97.3Very high0 Ų08.5 Ų8.50%04%0.044CC..EExtended strand (participates in β ladder)trans-121.2118.9177.3-1720000109.7A35 M37 A56 A59 L315 A316A35-V66 HydrophobicContact CB-CG1 4.42Å; A35-V66 HydrophobicContact CB-CG2 4.36Å; A35-V66 CarbonylContact O-C 3.26Å; A35-V66 WeakPolarHBondContact O-CA 3.02Å; M37-V66 HydrophobicContact CB-CG1 4.02Å; M37-V66 HydrophobicContact CE-CG1 4.02Å; M37-V66 HydrophobicContact SD-CG1 4.33Å; A56-V66 HydrophobicContact CB-CB 4.35Å; A56-V66 HydrophobicContact CB-CG1 3.97Å; A59-V66 HydrophobicContact CB-CG2 3.97Å; V66-L315 HydrophobicContact CB-CB 4.47Å; V66-L315 HydrophobicContact CG1-CB 4.27Å; V66-L315 HydrophobicContact CG1-CD1 4.37Å; V66-L315 PolarHBondContact O-N 2.69Å; V66-A316 HydrophobicContact CB-CB 4.07Å; V66-A316 HydrophobicContact CG2-CB 4.01Å; V66-A316 PolarHBondContact N-O 3.33Å; V66-A316 PolarHBondContact O-N 3.26Å
67I98.8Very high97.1Very high0 Ų011.1 Ų11.10%06%0.063CC..EExtended strand (participates in β ladder)trans-109.5132.1179.5-55.1-57.3000108.8I34 A35 I36 M37 L65 L69 V88 M92 V312 K313 V314I34-I67 HydrophobicContact CG2-CG1 3.94Å; A35-I67 PolarHBondContact O-N 3.08Å; I36-I67 WeakPolarHBondContact CA-O 3.39Å; M37-I67 PolarHBondContact N-O 3.49Å; L65-I67 HydrophobicContact CD1-CD1 4.17Å; L65-I67 HydrophobicContact CD2-CD1 4.06Å; L65-I67 HydrophobicContact CD2-CG1 4.47Å; L65-I67 HydrophobicContact CG-CD1 3.89Å; L65-I67 HydrophobicContact CG-CG1 4.28Å; I67-L69 PolarHBondContact O-N 3.2Å; I67-V88 HydrophobicContact CG2-CG1 3.86Å; I67-M92 HydrophobicContact CD1-CE 3.77Å; I67-M92 HydrophobicContact CD1-SD 4.03Å; I67-M92 HydrophobicContact CG1-CE 4Å; I67-M92 HydrophobicContact CG1-CG 4.21Å; I67-M92 HydrophobicContact CG1-SD 4.15Å; I67-V312 HydrophobicContact CG2-CB 3.94Å; I67-V312 HydrophobicContact CG2-CG1 4.35Å; I67-K313 WeakPolarHBondContact CA-O 3.37Å; I67-V314 HydrophobicContact CD1-CB 4.33Å; I67-V314 HydrophobicContact CD1-CG1 4.45Å; I67-V314 HydrophobicContact CD1-CG2 3.8Å
68E98.7Very high96.9Very high10 Ų107.3 Ų7.35%0.0475%0.052CC..EExtended strand (participates in β ladder)trans-72.3126.4173.6-171.6166-165.400110.4K52 K313 L315 E352K52-E68 WeakPolarHBondContact CD-OE1 3.49Å; K52-E68 WeakPolarHBondContact CE-OE1 3.27Å; K52-E68 IonicContact NZ-OE1 2.72Å; K52-E68 PolarHBondContact NZ-OE1 3.13Å; K52-E68 IonicContact NZ-OE2 3.29Å; K52-E68 PolarHBondContact NZ-OE2 2.95Å; E68-K313 HydrophobicContact CB-CB 4.17Å; E68-K313 PolarHBondContact N-O 2.88Å; E68-K313 WeakPolarHBondContact OE2-CD 3.47Å; E68-L315 HydrophobicContact CB-CD1 3.82Å; E68-L315 HydrophobicContact CB-CD2 4.27Å; E68-L315 HydrophobicContact CB-CG 3.92Å; E68-L315 HydrophobicContact CG-CD1 4.31Å; E68-E352 HydrophobicContact CG-CG 4.48Å
69L98Very high96.7Very high0 Ų09.1 Ų9.10%06%0.061CC..EExtended strand (participates in β ladder)trans-78.7137168.1-174.771.2000109.4I36 M37 I67 A73 F81 A85 V88I36-L69 HydrophobicContact CG2-CB 4.06Å; I36-L69 HydrophobicContact CG2-CD1 3.73Å; I36-L69 HydrophobicContact CG2-CG 4.43Å; M37-L69 PolarHBondContact O-N 3.37Å; I67-L69 PolarHBondContact O-N 3.2Å; L69-A73 HydrophobicContact CD1-CB 4.15Å; L69-A73 HydrophobicContact CD2-CB 4.1Å; L69-A73 HydrophobicContact CG-CB 3.92Å; L69-F81 HydrophobicContact CD2-CD2 3.75Å; L69-F81 HydrophobicContact CD2-CE2 3.24Å; L69-F81 HydrophobicContact CD2-CZ 3.89Å; L69-A85 VanDerWaalsContact CD1-CA 3.47Å; L69-A85 HydrophobicContact CD1-CB 3.65Å; L69-A85 HydrophobicContact CD2-CB 4.32Å; L69-V88 HydrophobicContact CD1-CG2 4.19Å
70P97Very high96.6Very high26 Ų2610.7 Ų10.717%0.1697%0.069CC..PPolyproline II helixtrans-51.3143177.5-28.636000113.2T72 A73 S74 I309 E352P70-T72 VanDerWaalsContact C-N 3.26Å; P70-T72 PolarHBondContact O-N 3.01Å; P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 WeakPolarHBondContact O-CB 3.35Å; P70-A73 PolarHBondContact O-N 2.97Å; P70-A73 VanDerWaalsContact O-N 3.16Å; P70-S74 PolarHBondContact O-N 3.18Å; P70-S74 PolarHBondContact O-OG 3.08Å; P70-I309 HydrophobicContact CG-CD1 4.22Å; P70-E352 WeakPolarHBondContact CA-OE1 3.25Å
71A95.9Very high96.5Very high8 Ų810.8 Ų10.87%0.0667%0.069CC..Hα-helixtrans-62.3-36.7179.600000111.4A73 S74 L75 N351 E352A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 2.78Å; A71-S74 PolarHBondContact O-N 3Å; A71-L75 PolarHBondContact O-N 3.11Å; A71-N351 HydrophobicContact CB-CB 4.31Å; A71-E352 HydrophobicContact CB-CG 4.42Å; A71-E352 PolarHBondContact N-OE1 2.91Å
72T94.1Very high96.6Very high3 Ų310.3 Ų10.32%0.0187%0.065CC..Hα-helixtrans-64.7-34.9176.2520000112.6P70 S76 I300 D304 V305P70-T72 VanDerWaalsContact C-N 3.26Å; P70-T72 PolarHBondContact O-N 3.01Å; T72-S76 WeakPolarHBondContact O-CB 3.2Å; T72-I300 HydrophobicContact CG2-CG2 3.97Å; T72-D304 HydrophobicContact CG2-CB 4.48Å; T72-V305 HydrophobicContact CG2-CG2 4.07Å
73A95.4Very high96.6Very high0 Ų011.4 Ų11.40%07%0.07CC..Hα-helixtrans-68.3-49.417000000110.7L69 P70 A71 L75 S76 L84L69-A73 HydrophobicContact CD1-CB 4.15Å; L69-A73 HydrophobicContact CD2-CB 4.1Å; L69-A73 HydrophobicContact CG-CB 3.92Å; P70-A73 HydrophobicContact CB-CB 4.3Å; P70-A73 WeakPolarHBondContact O-CB 3.35Å; P70-A73 PolarHBondContact O-N 2.97Å; P70-A73 VanDerWaalsContact O-N 3.16Å; A71-A73 VanDerWaalsContact C-N 3.33Å; A71-A73 PolarHBondContact O-N 2.78Å; A73-L75 PolarHBondContact O-N 3.35Å; A73-L75 VanDerWaalsContact O-N 3.16Å; A73-S76 PolarHBondContact O-N 2.7Å; A73-S76 PolarHBondContact O-OG 3.43Å; A73-L84 HydrophobicContact CB-CB 3.52Å; A73-L84 HydrophobicContact CB-CD1 3.55Å; A73-L84 HydrophobicContact CB-CG 4.16Å
74S95.9Very high96.5Very high0 Ų011.5 Ų11.50%07%0.07CC..Hα-helixtrans-61.1-25-176.8-54.90000112.7V42 M43 P70 A71V42-S74 CarbonylContact C-O 3.36Å; M43-S74 WeakPolarHBondContact CA-O 3.08Å; M43-S74 PolarHBondContact N-O 3.43Å; M43-S74 VanDerWaalsContact N-O 3.15Å; P70-S74 PolarHBondContact O-N 3.18Å; P70-S74 PolarHBondContact O-OG 3.08Å; A71-S74 PolarHBondContact O-N 3Å
75L96.6Very high96.5Very high1 Ų111.3 Ų11.31%0.0057%0.069CC..THydrogen-bonded Turntrans-110.336.9180-68175000113.4F41 A71 A73 M294 N295 L298 I300F41-L75 HydrophobicContact CB-CD1 4.17Å; F41-L75 HydrophobicContact CB-CD2 4.04Å; F41-L75 HydrophobicContact CB-CG 4.28Å; A71-L75 PolarHBondContact O-N 3.11Å; A73-L75 PolarHBondContact O-N 3.35Å; A73-L75 VanDerWaalsContact O-N 3.16Å; L75-M294 HydrophobicContact CD1-CB 3.77Å; L75-M294 HydrophobicContact CD2-CB 3.54Å; L75-M294 HydrophobicContact CD2-CG 4Å; L75-M294 HydrophobicContact CG-CB 4.29Å; L75-N295 WeakPolarHBondContact CB-OD1 3.46Å; L75-N295 PolarHBondContact O-ND2 2.66Å; L75-N295 VanDerWaalsContact O-ND2 3.13Å; L75-L298 HydrophobicContact CD1-CD1 3.46Å; L75-L298 VanDerWaalsContact CD1-CD1 3.46Å; L75-I300 HydrophobicContact CD1-CD1 4.02Å
76S94.7Very high96.5Very high0 Ų011.3 Ų11.30%07%0.069CC..SBendtrans-125.9179.4-178.673.60000114.5T72 A73 H80 F81 R291T72-S76 WeakPolarHBondContact O-CB 3.2Å; A73-S76 PolarHBondContact O-N 2.7Å; A73-S76 PolarHBondContact O-OG 3.43Å; S76-H80 VanDerWaalsContact CB-CD2 3.42Å; S76-H80 WeakPolarHBondContact CB-CD2 3.15Å; S76-H80 WeakPolarHBondContact OG-CB 3.42Å; S76-H80 PolarHBondContact OG-CD2 3.21Å; S76-F81 PolarHBondContact OG-N 3.15Å; S76-R291 WeakPolarHBondContact O-CD 3.4Å; S76-R291 PolarHBondContact O-NE 3.01Å
77S94Very high96.4Very high55 Ų5512.9 Ų12.939%0.3858%0.076SC..  trans-62.2163.3174.562.60000111.6D79 H80 F81S77-D79 VanDerWaalsContact C-N 3.26Å; S77-D79 PolarHBondContact O-N 2.98Å; S77-H80 PolarHBondContact O-N 3.31Å; S77-H80 PolarHBondContact OG-N 2.85Å; S77-F81 VanDerWaalsContact O-CB 3.24Å; S77-F81 WeakPolarHBondContact O-CB 3.48Å; S77-F81 PolarHBondContact O-N 3.05Å
78G93.6Very high96.4Very high19 Ų1913 Ų1320%0.1968%0.076CC..Hα-helixtrans-55.8-39.4178.200000113.7A82G78-A82 WeakPolarHBondContact O-CB 3.34Å; G78-A82 PolarHBondContact O-N 3.41Å
79D94.3Very high96.4Very high37 Ų3712.5 Ų12.520%0.1987%0.074CC..Hα-helixtrans-68.1-42.4177.6-67.2-42.6000112.8S77 A82 E83 Y135 S159 K162S77-D79 VanDerWaalsContact C-N 3.26Å; S77-D79 PolarHBondContact O-N 2.98Å; D79-A82 PolarHBondContact O-N 3.24Å; D79-E83 VanDerWaalsContact O-CB 3.3Å; D79-E83 WeakPolarHBondContact O-CB 3.44Å; D79-E83 PolarHBondContact O-N 3.47Å; D79-Y135 PolarHBondContact OD2-OH 2.98Å; D79-S159 WeakPolarHBondContact OD1-CB 3.38Å; D79-S159 PolarHBondContact OD1-OG 3.47Å; D79-K162 VanDerWaalsContact CG-NZ 3.32Å; D79-K162 IonicContact OD1-NZ 2.72Å; D79-K162 PolarHBondContact OD1-NZ 3.2Å; D79-K162 VanDerWaalsContact OD1-NZ 3.08Å; D79-K162 IonicContact OD2-NZ 3.72Å; D79-K162 PolarHBondContact OD2-NZ 3.21Å
80H94.7Very high96.4Very high34 Ų3415.2 Ų15.216%0.1579%0.088CC..Hα-helixtrans-73.4-37.7179.5-169.363.9000112.2S76 S77 E83 L84 Y252 V305S76-H80 VanDerWaalsContact CB-CD2 3.42Å; S76-H80 WeakPolarHBondContact CB-CD2 3.15Å; S76-H80 WeakPolarHBondContact OG-CB 3.42Å; S76-H80 PolarHBondContact OG-CD2 3.21Å; S77-H80 PolarHBondContact O-N 3.31Å; S77-H80 PolarHBondContact OG-N 2.85Å; H80-E83 PolarHBondContact O-N 3.14Å; H80-L84 VanDerWaalsContact NE2-CD1 3.32Å; H80-L84 WeakPolarHBondContact NE2-CD1 3.26Å; H80-L84 PolarHBondContact O-N 2.96Å; H80-Y252 PolarHBondContact CD2-OH 2.78Å; H80-V305 WeakPolarHBondContact NE2-CG1 3.47Å
81F96.8Very high96.5Very high4 Ų415.1 Ų15.12%0.0189%0.085CC..Hα-helixtrans-57-50.6170.9172.8-93.1000110.5I7 M43 L69 S76 S77 A85 L156 Y160I7-F81 HydrophobicContact CG2-CE1 3.52Å; I7-F81 HydrophobicContact CG2-CZ 3.59Å; M43-F81 HydrophobicContact CB-CD2 4.05Å; M43-F81 HydrophobicContact CB-CE2 4.09Å; M43-F81 HydrophobicContact CG-CB 4.3Å; M43-F81 HydrophobicContact CG-CD2 3.97Å; M43-F81 HydrophobicContact CG-CE2 4.43Å; M43-F81 HydrophobicContact CG-CG 4.02Å; M43-F81 HydrophobicContact SD-CB 4.01Å; M43-F81 HydrophobicContact SD-CD1 3.52Å; M43-F81 VanDerWaalsContact SD-CD1 3.52Å; M43-F81 HydrophobicContact SD-CD2 4Å; M43-F81 HydrophobicContact SD-CE1 3.93Å; M43-F81 HydrophobicContact SD-CE2 4.36Å; M43-F81 HydrophobicContact SD-CG 3.57Å; M43-F81 VanDerWaalsContact SD-CG 3.57Å; M43-F81 HydrophobicContact SD-CZ 4.33Å; L69-F81 HydrophobicContact CD2-CD2 3.75Å; L69-F81 HydrophobicContact CD2-CE2 3.24Å; L69-F81 HydrophobicContact CD2-CZ 3.89Å; S76-F81 PolarHBondContact OG-N 3.15Å; S77-F81 VanDerWaalsContact O-CB 3.24Å; S77-F81 WeakPolarHBondContact O-CB 3.48Å; S77-F81 PolarHBondContact O-N 3.05Å; F81-A85 WeakPolarHBondContact O-CB 3.46Å; F81-A85 PolarHBondContact O-N 3.27Å; F81-L156 HydrophobicContact CD1-CD1 4.1Å; F81-L156 HydrophobicContact CE1-CD1 4.36Å; F81-Y160 HydrophobicContact CD1-CE1 4.25Å; F81-Y160 HydrophobicContact CE1-CE1 4.05Å; F81-Y160 WeakPolarHBondContact CE1-OH 3.39Å
82A97.6Very high96.6Very high0 Ų014.8 Ų14.80%08%0.082CC..Hα-helixtrans-62.8-43.5177.800000112.3G78 D79 A85 V86 S159 Y160 A163G78-A82 WeakPolarHBondContact O-CB 3.34Å; G78-A82 PolarHBondContact O-N 3.41Å; D79-A82 PolarHBondContact O-N 3.24Å; A82-A85 PolarHBondContact O-N 3.13Å; A82-V86 VanDerWaalsContact O-CB 3.31Å; A82-V86 WeakPolarHBondContact O-CB 3.45Å; A82-V86 VanDerWaalsContact O-CG2 3.22Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 3.34Å; A82-S159 VanDerWaalsContact CB-C 3.46Å; A82-S159 WeakPolarHBondContact CB-O 3.41Å; A82-Y160 HydrophobicContact CB-CD1 3.49Å; A82-Y160 VanDerWaalsContact CB-CD1 3.49Å; A82-Y160 HydrophobicContact CB-CE1 3.93Å; A82-Y160 HydrophobicContact CB-CG 4.46Å; A82-A163 HydrophobicContact CB-CB 4.21Å
83E97.3Very high96.8Very high40 Ų4016.2 Ų16.219%0.1879%0.092CC..Hα-helixtrans-57.2-54178.6179.9176.1179.700111.7D79 H80 V86 K87 A163D79-E83 VanDerWaalsContact O-CB 3.3Å; D79-E83 WeakPolarHBondContact O-CB 3.44Å; D79-E83 PolarHBondContact O-N 3.47Å; H80-E83 PolarHBondContact O-N 3.14Å; E83-V86 PolarHBondContact O-N 2.84Å; E83-K87 HydrophobicContact CG-CD 4.28Å; E83-K87 WeakPolarHBondContact O-CG 3.36Å; E83-K87 PolarHBondContact O-N 3.48Å; E83-K87 IonicContact OE1-NZ 3.81Å; E83-K87 PolarHBondContact OE1-NZ 2.65Å; E83-A163 HydrophobicContact CB-CB 4.49Å
84L97.2Very high96.9Very high1 Ų116.4 Ų16.41%0.0059%0.094CC..Hα-helixtrans-69.7-36.6-178.6-70.4-178.5000111.9A73 H80 K87 V88 I309A73-L84 HydrophobicContact CB-CB 3.52Å; A73-L84 HydrophobicContact CB-CD1 3.55Å; A73-L84 HydrophobicContact CB-CG 4.16Å; H80-L84 VanDerWaalsContact NE2-CD1 3.32Å; H80-L84 WeakPolarHBondContact NE2-CD1 3.26Å; H80-L84 PolarHBondContact O-N 2.96Å; L84-K87 HydrophobicContact CD2-CD 4.3Å; L84-K87 PolarHBondContact O-N 2.89Å; L84-V88 WeakPolarHBondContact O-CG2 3.42Å; L84-V88 PolarHBondContact O-N 2.86Å; L84-I309 HydrophobicContact CD2-CD1 4.39Å
85A98.1Very high97.1Very high0 Ų019.4 Ų19.40%011%0.11CC..Hα-helixtrans-65-39.117600000112.8I7 L69 F81 A82 V88 A89I7-A85 HydrophobicContact CB-CB 4.38Å; I7-A85 HydrophobicContact CD1-CB 3.59Å; I7-A85 HydrophobicContact CG1-CB 3.88Å; I7-A85 HydrophobicContact CG2-CB 3.59Å; L69-A85 VanDerWaalsContact CD1-CA 3.47Å; L69-A85 HydrophobicContact CD1-CB 3.65Å; L69-A85 HydrophobicContact CD2-CB 4.32Å; F81-A85 WeakPolarHBondContact O-CB 3.46Å; F81-A85 PolarHBondContact O-N 3.27Å; A82-A85 PolarHBondContact O-N 3.13Å; A85-V88 PolarHBondContact O-N 2.91Å; A85-A89 PolarHBondContact O-N 3.33Å
86V98.5Very high97.2Very high0 Ų019.7 Ų19.70%011%0.111CC..Hα-helixtrans-66.9-39.1173.3167.50000111.2I7 A82 E83 V88 A89 D90 I97 A163 I164 A168I7-V86 HydrophobicContact CD1-CG2 4.37Å; A82-V86 VanDerWaalsContact O-CB 3.31Å; A82-V86 WeakPolarHBondContact O-CB 3.45Å; A82-V86 VanDerWaalsContact O-CG2 3.22Å; A82-V86 WeakPolarHBondContact O-CG2 3.36Å; A82-V86 PolarHBondContact O-N 3.34Å; E83-V86 PolarHBondContact O-N 2.84Å; V86-V88 VanDerWaalsContact C-N 3.31Å; V86-V88 PolarHBondContact O-N 3.42Å; V86-A89 WeakPolarHBondContact O-CB 3.37Å; V86-A89 PolarHBondContact O-N 2.96Å; V86-A89 VanDerWaalsContact O-N 3.15Å; V86-D90 PolarHBondContact O-N 3.1Å; V86-I97 HydrophobicContact CG2-CD1 3.87Å; V86-A163 HydrophobicContact CB-CB 3.98Å; V86-A163 HydrophobicContact CG1-CB 4.4Å; V86-A163 HydrophobicContact CG2-CB 3.74Å; V86-I164 HydrophobicContact CG1-CG1 3.86Å; V86-I164 HydrophobicContact CG2-CG1 3.86Å; V86-A168 HydrophobicContact CG1-CB 3.6Å
87K98.2Very high97.4Very high33 Ų3319.7 Ų19.714%0.14311%0.111CC..Hα-helixtrans-63.8-36.2173.4-73.4173.1171.9172.80112.3E83 L84 D90 Y91 N167 S307 I309E83-K87 HydrophobicContact CG-CD 4.28Å; E83-K87 WeakPolarHBondContact O-CG 3.36Å; E83-K87 PolarHBondContact O-N 3.48Å; E83-K87 IonicContact OE1-NZ 3.81Å; E83-K87 PolarHBondContact OE1-NZ 2.65Å; L84-K87 HydrophobicContact CD2-CD 4.3Å; L84-K87 PolarHBondContact O-N 2.89Å; K87-D90 PolarHBondContact O-N 3.43Å; K87-Y91 WeakPolarHBondContact O-CB 3.4Å; K87-Y91 PolarHBondContact O-N 2.74Å; K87-N167 WeakPolarHBondContact CE-OD1 3.47Å; K87-N167 HydrophobicContact CG-CB 4.19Å; K87-S307 WeakPolarHBondContact CD-O 3.4Å; K87-S307 PolarHBondContact NZ-O 3.39Å; K87-I309 HydrophobicContact CB-CG1 3.76Å
88V98.4Very high97.6Very high1 Ų117.1 Ų17.11%0.0069%0.093CC..Hα-helixtrans-65.4-40.9171.5171.80000110.8I36 I67 L69 L84 A85 V86 D90 Y91 M92 I309 V312I36-V88 HydrophobicContact CD1-CB 4.47Å; I36-V88 HydrophobicContact CD1-CG1 4.1Å; I36-V88 HydrophobicContact CG1-CG1 4.15Å; I36-V88 HydrophobicContact CG2-CB 4.24Å; I36-V88 HydrophobicContact CG2-CG1 3.85Å; I67-V88 HydrophobicContact CG2-CG1 3.86Å; L69-V88 HydrophobicContact CD1-CG2 4.19Å; L84-V88 WeakPolarHBondContact O-CG2 3.42Å; L84-V88 PolarHBondContact O-N 2.86Å; A85-V88 PolarHBondContact O-N 2.91Å; V86-V88 VanDerWaalsContact C-N 3.31Å; V86-V88 PolarHBondContact O-N 3.42Å; V88-D90 VanDerWaalsContact C-N 3.34Å; V88-D90 PolarHBondContact O-N 3.39Å; V88-Y91 WeakPolarHBondContact O-CB 3.35Å; V88-Y91 PolarHBondContact O-N 3.33Å; V88-M92 WeakPolarHBondContact O-CB 3.29Å; V88-M92 VanDerWaalsContact O-CG 3.31Å; V88-M92 WeakPolarHBondContact O-CG 3.43Å; V88-M92 PolarHBondContact O-N 2.89Å; V88-I309 HydrophobicContact CG2-CD1 3.65Å; V88-I309 HydrophobicContact CG2-CG1 3.89Å; V88-I309 HydrophobicContact CG2-CG2 4.29Å; V88-V312 HydrophobicContact CG1-CG1 4.17Å
89A98.7Very high97.7Very high0 Ų016.6 Ų16.60%09%0.086CC..Hα-helixtrans-61.6-42.717600000112I36 A85 V86 M92 S93 V94 I97 I171I36-A89 HydrophobicContact CD1-CB 3.56Å; A85-A89 PolarHBondContact O-N 3.33Å; V86-A89 WeakPolarHBondContact O-CB 3.37Å; V86-A89 PolarHBondContact O-N 2.96Å; V86-A89 VanDerWaalsContact O-N 3.15Å; A89-M92 CarbonylContact O-C 3.58Å; A89-M92 WeakPolarHBondContact O-CA 3.26Å; A89-M92 PolarHBondContact O-N 2.69Å; A89-M92 VanDerWaalsContact O-N 3.17Å; A89-S93 PolarHBondContact O-N 3.48Å; A89-S93 VanDerWaalsContact O-N 3.09Å; A89-V94 HydrophobicContact CB-CB 4.03Å; A89-V94 HydrophobicContact CB-CG2 4.01Å; A89-V94 WeakPolarHBondContact O-CB 3.47Å; A89-V94 WeakPolarHBondContact O-CG2 3.06Å; A89-V94 PolarHBondContact O-N 3.02Å; A89-I97 HydrophobicContact CB-CD1 3.67Å; A89-I97 HydrophobicContact CB-CG1 4.12Å; A89-I171 HydrophobicContact CB-CD1 3.92Å
90D98.3Very high97.6Very high57 Ų5715.6 Ų15.631%0.3058%0.084SC..Hα-helixtrans-64.8-41.3175.5-171.274.5000112.1V86 K87 V88 M92 S93 A168 I171 R335V86-D90 PolarHBondContact O-N 3.1Å; K87-D90 PolarHBondContact O-N 3.43Å; V88-D90 VanDerWaalsContact C-N 3.34Å; V88-D90 PolarHBondContact O-N 3.39Å; D90-M92 PolarHBondContact O-N 2.99Å; D90-S93 WeakPolarHBondContact O-CA 3.11Å; D90-S93 PolarHBondContact O-N 2.87Å; D90-A168 HydrophobicContact CB-CB 3.93Å; D90-I171 HydrophobicContact CB-CD1 4.04Å; D90-R335 PolarHBondContact O-NH1 3.41Å
91Y98.2Very high97.5Very high25 Ų2514 Ų1410%0.0988%0.077CC..Hα-helixtrans-61.3-30.2172.8-163.5-81.2000112.9K87 V88 S93 I309 H310 V312 R335 Q336 Y337K87-Y91 WeakPolarHBondContact O-CB 3.4Å; K87-Y91 PolarHBondContact O-N 2.74Å; V88-Y91 WeakPolarHBondContact O-CB 3.35Å; V88-Y91 PolarHBondContact O-N 3.33Å; Y91-S93 VanDerWaalsContact C-N 3.3Å; Y91-I309 HydrophobicContact CD1-CG2 4.45Å; Y91-I309 HydrophobicContact CD2-CB 4Å; Y91-I309 HydrophobicContact CD2-CG2 3.73Å; Y91-I309 WeakPolarHBondContact CD2-O 3.14Å; Y91-I309 HydrophobicContact CE2-CG2 4.2Å; Y91-I309 WeakPolarHBondContact CE2-O 3.18Å; Y91-I309 HydrophobicContact CG-CB 4.44Å; Y91-I309 HydrophobicContact CG-CG2 3.86Å; Y91-H310 PolarHBondContact OH-O 2.81Å; Y91-V312 HydrophobicContact CD1-CB 4.39Å; Y91-V312 HydrophobicContact CD1-CG1 3.55Å; Y91-V312 HydrophobicContact CD1-CG2 3.95Å; Y91-V312 HydrophobicContact CE1-CG1 4.01Å; Y91-V312 HydrophobicContact CE1-CG2 3.9Å; Y91-V312 HydrophobicContact CG-CG1 4.13Å; Y91-R335 VanDerWaalsContact C-NH1 3.27Å; Y91-R335 HydrophobicContact CE1-CB 3.76Å; Y91-R335 HydrophobicContact CE1-CG 4.07Å; Y91-R335 HydrophobicContact CE2-CB 4.5Å; Y91-R335 HydrophobicContact CE2-CG 4.1Å; Y91-R335 PolarHBondContact O-NH1 3.01Å; Y91-R335 WeakPolarHBondContact OH-CA 3.5Å; Y91-Q336 PolarHBondContact OH-N 3.2Å; Y91-Y337 HydrophobicContact CD1-CE1 4.11Å; Y91-Y337 HydrophobicContact CE1-CD1 4.43Å; Y91-Y337 HydrophobicContact CE1-CE1 4.03Å; Y91-Y337 PolarHBondContact O-OH 3.36Å
92M98.3Very high97.2Very high0 Ų015.5 Ų15.50%08%0.084CC..THydrogen-bonded Turntrans-89.16.1173.8-67.9-59.9-5800113.3L65 I67 V88 A89 D90 V94 V312 Y324 L325 L328 Y337L65-M92 HydrophobicContact CD2-CE 3.54Å; I67-M92 HydrophobicContact CD1-CE 3.77Å; I67-M92 HydrophobicContact CD1-SD 4.03Å; I67-M92 HydrophobicContact CG1-CE 4Å; I67-M92 HydrophobicContact CG1-CG 4.21Å; I67-M92 HydrophobicContact CG1-SD 4.15Å; V88-M92 WeakPolarHBondContact O-CB 3.29Å; V88-M92 VanDerWaalsContact O-CG 3.31Å; V88-M92 WeakPolarHBondContact O-CG 3.43Å; V88-M92 PolarHBondContact O-N 2.89Å; A89-M92 CarbonylContact O-C 3.58Å; A89-M92 WeakPolarHBondContact O-CA 3.26Å; A89-M92 PolarHBondContact O-N 2.69Å; A89-M92 VanDerWaalsContact O-N 3.17Å; D90-M92 PolarHBondContact O-N 2.99Å; M92-V94 HydrophobicContact CB-CG2 4.12Å; M92-V94 PolarHBondContact O-N 2.99Å; M92-V312 HydrophobicContact SD-CB 4.44Å; M92-V312 HydrophobicContact SD-CG2 3.67Å; M92-Y324 HydrophobicContact CE-CE1 4.5Å; M92-Y324 PolarHBondContact O-OH 2.87Å; M92-L325 HydrophobicContact CE-CD1 4.44Å; M92-L328 HydrophobicContact CE-CD1 3.54Å; M92-L328 HydrophobicContact SD-CD1 4.26Å; M92-Y337 HydrophobicContact CE-CD1 4.47Å; M92-Y337 HydrophobicContact CE-CE1 4.38Å; M92-Y337 HydrophobicContact SD-CD1 3.81Å; M92-Y337 HydrophobicContact SD-CE1 3.62Å
93S98Very high96.6Very high34 Ų3419.9 Ų19.924%0.23811%0.107CC..THydrogen-bonded Turntrans49.341.6-178.1-53.80000113.2A89 D90 Y91 D95 Y324 F332 R335A89-S93 PolarHBondContact O-N 3.48Å; A89-S93 VanDerWaalsContact O-N 3.09Å; D90-S93 WeakPolarHBondContact O-CA 3.11Å; D90-S93 PolarHBondContact O-N 2.87Å; Y91-S93 VanDerWaalsContact C-N 3.3Å; S93-D95 PolarHBondContact O-N 2.8Å; S93-Y324 PolarHBondContact O-OH 3.2Å; S93-F332 WeakPolarHBondContact OG-CE2 3.35Å; S93-F332 WeakPolarHBondContact OG-CZ 2.88Å; S93-R335 PolarHBondContact OG-NH1 3.38Å
94V98.6Very high96.1Very high4 Ų421.4 Ų21.42%0.02412%0.117CC..  trans-64.8128.1178.6168.70000110.5S3 I34 A89 M92 T96 I97 I171S3-V94 VanDerWaalsContact OG-CA 3.32Å; S3-V94 WeakPolarHBondContact OG-CA 3.35Å; I34-V94 HydrophobicContact CD1-CG2 4.01Å; A89-V94 HydrophobicContact CB-CB 4.03Å; A89-V94 HydrophobicContact CB-CG2 4.01Å; A89-V94 WeakPolarHBondContact O-CB 3.47Å; A89-V94 WeakPolarHBondContact O-CG2 3.06Å; A89-V94 PolarHBondContact O-N 3.02Å; M92-V94 HydrophobicContact CB-CG2 4.12Å; M92-V94 PolarHBondContact O-N 2.99Å; V94-T96 WeakPolarHBondContact CG1-O 3.36Å; V94-I97 HydrophobicContact CG1-CG1 4.16Å; V94-I171 WeakPolarHBondContact O-CG1 3.44Å
95D98.7Very high95.8Very high63 Ų6324.8 Ų24.834%0.33714%0.135SC..SBendtrans-76.9-34179-59.5-84000112.8K2 S3 S93 N172K2-D95 WeakPolarHBondContact CA-OD2 3.36Å; K2-D95 HydrophobicContact CG-CB 4.45Å; S3-D95 PolarHBondContact N-OD2 3.23Å; S3-D95 WeakPolarHBondContact O-CB 3.41Å; S3-D95 PolarHBondContact OG-N 2.73Å; S3-D95 PolarHBondContact OG-OD2 3.11Å; S93-D95 PolarHBondContact O-N 2.8Å; D95-N172 PolarHBondContact O-N 3.26Å; D95-N172 PolarHBondContact O-ND2 3.31Å
96T98.8Very high95.7Very high7 Ų726.8 Ų26.84%0.04315%0.145CC..EExtended strand (participates in β ladder)trans-144.1131.7-177.3-56.10000111.6S3 V4 G5 T28 V94 N172 I174S3-T96 PolarHBondContact O-N 3.01Å; V4-T96 CarbonylContact C-O 3.3Å; V4-T96 VanDerWaalsContact CA-O 3.27Å; V4-T96 WeakPolarHBondContact CA-O 3.38Å; V4-T96 WeakPolarHBondContact CG2-O 3.49Å; G5-T96 PolarHBondContact N-O 3.42Å; T28-T96 HydrophobicContact CG2-CG2 3.66Å; V94-T96 WeakPolarHBondContact CG1-O 3.36Å; T96-N172 CarbonylContact C-O 3.48Å; T96-N172 VanDerWaalsContact CA-O 3.23Å; T96-N172 WeakPolarHBondContact CA-O 3.36Å; T96-N172 HydrophobicContact CG2-CB 4.19Å; T96-I174 HydrophobicContact CG2-CB 4.48Å; T96-I174 HydrophobicContact CG2-CG1 3.97Å; T96-I174 HydrophobicContact CG2-CG2 4Å
97I98.8Very high95.5Very high0 Ų033.8 Ų33.80%018%0.176CC..EExtended strand (participates in β ladder)trans-94.8129.8165.7-70.1171.4000109G5 I7 V86 A89 V94 I164 I171 N172 A173 I174G5-I97 WeakPolarHBondContact O-CA 3.35Å; I7-I97 HydrophobicContact CD1-CD1 4.2Å; I7-I97 HydrophobicContact CD1-CG2 4.24Å; V86-I97 HydrophobicContact CG2-CD1 3.87Å; A89-I97 HydrophobicContact CB-CD1 3.67Å; A89-I97 HydrophobicContact CB-CG1 4.12Å; V94-I97 HydrophobicContact CG1-CG1 4.16Å; I97-I164 HydrophobicContact CB-CD1 4.38Å; I97-I164 HydrophobicContact CD1-CD1 4.16Å; I97-I164 HydrophobicContact CD1-CG1 4.32Å; I97-I171 HydrophobicContact CB-CG2 4.22Å; I97-I171 HydrophobicContact CD1-CD1 4.34Å; I97-I171 HydrophobicContact CD1-CG2 3.84Å; I97-I171 HydrophobicContact CG1-CG2 3.72Å; I97-N172 PolarHBondContact N-O 2.97Å; I97-A173 WeakPolarHBondContact O-CA 3.32Å; I97-I174 PolarHBondContact O-N 3.13Å
98A98.1Very high95.4Very high1 Ų133.4 Ų33.41%0.00818%0.176CC..EExtended strand (participates in β ladder)trans-110128173.100000110.5V4 G5 H20 S24 I174 I176V4-A98 HydrophobicContact CG2-CB 3.84Å; G5-A98 PolarHBondContact O-N 2.92Å; H20-A98 PolarHBondContact CE1-O 3.47Å; S24-A98 WeakPolarHBondContact OG-CB 3.3Å; A98-I174 WeakPolarHBondContact CA-O 3.39Å; A98-I174 HydrophobicContact CB-CD1 3.97Å; A98-I174 HydrophobicContact CB-CG1 3.66Å; A98-I176 HydrophobicContact CB-CG1 4.44Å
99F96.7Very high95.3Very high7 Ų733.5 Ų33.53%0.03118%0.176CC..EExtended strand (participates in β ladder)trans-129.6149.1177.160.1-96.6000112L109 Y160 L161 A173 I174 S175 I176F99-L109 HydrophobicContact CE2-CD1 3.87Å; F99-L109 HydrophobicContact CZ-CD1 4.33Å; F99-Y160 HydrophobicContact CB-CD2 3.68Å; F99-Y160 HydrophobicContact CB-CE2 3.75Å; F99-Y160 AromaticContact CD1-CD2 3.95Å; F99-Y160 HydrophobicContact CD1-CD2 3.95Å; F99-Y160 AromaticContact CG-CD2 3.85Å; F99-Y160 HydrophobicContact CG-CD2 3.85Å; F99-Y160 HydrophobicContact CG-CE2 4.39Å; F99-L161 HydrophobicContact CE1-CD2 4.17Å; F99-L161 HydrophobicContact CE1-CG 4.21Å; F99-L161 HydrophobicContact CZ-CD1 4.11Å; F99-L161 HydrophobicContact CZ-CD2 4.32Å; F99-L161 HydrophobicContact CZ-CG 4.1Å; F99-A173 HydrophobicContact CE1-CB 4.27Å; F99-I174 PolarHBondContact N-O 3.32Å; F99-I174 VanDerWaalsContact N-O 3.14Å; F99-S175 CarbonylContact O-C 3.57Å; F99-S175 VanDerWaalsContact O-CA 3.3Å; F99-S175 WeakPolarHBondContact O-CA 3.34Å; F99-I176 PolarHBondContact O-N 3.24Å
100G92.7Very high95.1Very high16 Ų1638.6 Ų38.617%0.16520%0.199CC..EExtended strand (participates in β ladder)trans-70.1145174.400000111.2H20 N153 I176H20-G100 PolarHBondContact NE2-N 3.48Å; H20-G100 VanDerWaalsContact NE2-N 3.2Å; G100-N153 WeakPolarHBondContact O-CB 3.22Å; G100-I176 CarbonylContact C-O 3.52Å; G100-I176 WeakPolarHBondContact CA-O 3.33Å
101S92.5Very high95Very high0 Ų041.1 Ų41.10%021%0.209CC..EExtended strand (participates in β ladder)trans-144154.7174.265.30000109.4N104 N154 S175 I176 K177 R178S101-N104 WeakPolarHBondContact OG-CA 3.38Å; S101-N104 PolarHBondContact OG-N 3.27Å; S101-N154 WeakPolarHBondContact CB-OD1 3.46Å; S101-S175 WeakPolarHBondContact OG-CB 3.03Å; S101-I176 PolarHBondContact N-O 2.8Å; S101-I176 PolarHBondContact OG-O 2.93Å; S101-K177 WeakPolarHBondContact O-CA 3.4Å; S101-R178 PolarHBondContact O-N 2.79Å
102E90.4Very high94.9Very high37 Ų3740.5 Ų40.517%0.17321%0.207CC..SBendtrans-69.8-40179-71.678.4-176.300111.6S151 N153 N154E102-S151 WeakPolarHBondContact OE1-CB 3.44Å; E102-S151 WeakPolarHBondContact OE2-CB 3.31Å; E102-N153 WeakPolarHBondContact OE1-CB 3.47Å; E102-N153 PolarHBondContact OE1-N 2.97Å; E102-N153 PolarHBondContact OE1-ND2 3.45Å; E102-N154 PolarHBondContact N-OD1 3.04Å; E102-N154 PolarHBondContact OE2-N 2.89Å; E102-N154 PolarHBondContact OE2-ND2 2.8Å; E102-N154 PolarHBondContact OE2-OD1 2.94Å; E102-N154 VanDerWaalsContact OE2-OD1 3.04Å
103N83.2Confident94.7Very high92 Ų9240.7 Ų40.749%0.49221%0.208SC..SBendtrans-116.2-6.9-169.2-617.5000114.3D105N103-D105 PolarHBondContact O-N 3Å
104N88.1Confident94.6Very high71 Ų7144.3 Ų44.338%0.3822%0.221SC..  trans58.826.1-177.8-159.537000116S101 I106 S175 K177S101-N104 WeakPolarHBondContact OG-CA 3.38Å; S101-N104 PolarHBondContact OG-N 3.27Å; N104-I106 PolarHBondContact O-N 3.27Å; N104-S175 WeakPolarHBondContact OD1-CB 3.46Å; N104-S175 PolarHBondContact OD1-O 3.04Å; N104-S175 PolarHBondContact OD1-OG 3.01Å; N104-K177 HydrophobicContact CB-CB 3.83Å; N104-K177 HydrophobicContact CB-CG 4.28Å
105D91.5Very high94.4Very high73 Ų7346 Ų4639%0.3923%0.233SC..  trans-97.476.2177.7-173.6-4.2000111.4N103 K107 T108 L109N103-D105 PolarHBondContact O-N 3Å; D105-K107 PolarHBondContact O-N 3.17Å; D105-K107 PolarHBondContact OD1-N 2.96Å; D105-T108 VanDerWaalsContact CG-CB 3.46Å; D105-T108 PolarHBondContact O-N 3.32Å; D105-T108 PolarHBondContact OD1-N 2.89Å; D105-T108 VanDerWaalsContact OD1-N 3.11Å; D105-T108 PolarHBondContact OD1-OG1 3.49Å; D105-T108 VanDerWaalsContact OD2-CB 3.22Å; D105-T108 WeakPolarHBondContact OD2-CB 3.48Å; D105-T108 PolarHBondContact OD2-OG1 2.88Å; D105-L109 WeakPolarHBondContact O-CG 3.39Å; D105-L109 PolarHBondContact O-N 2.95Å; D105-L109 VanDerWaalsContact O-N 3.13Å
106I95Very high94.3Very high42 Ų4243.2 Ų43.222%0.21522%0.218CC..Hα-helixtrans-61.9-27-179.6-169.1161.8000113.4N104 L109 K110 A173N104-I106 PolarHBondContact O-N 3.27Å; I106-L109 PolarHBondContact O-N 3.09Å; I106-K110 HydrophobicContact CG1-CD 4.4Å; I106-K110 HydrophobicContact CG1-CG 4.35Å; I106-K110 WeakPolarHBondContact O-CB 3.44Å; I106-K110 WeakPolarHBondContact O-CG 3.14Å; I106-K110 PolarHBondContact O-N 2.73Å; I106-A173 VanDerWaalsContact CD1-C 3.46Å; I106-A173 HydrophobicContact CD1-CB 4.02Å; I106-A173 WeakPolarHBondContact CD1-O 3.4Å
107K95.5Very high94Very high147 Ų14745.2 Ų45.264%0.63923%0.229SC*.Hα-helixtrans-66.5-48.9-179.4-175.7-176.4176.6-173.80109.7D105 K110 Q111D105-K107 PolarHBondContact O-N 3.17Å; D105-K107 PolarHBondContact OD1-N 2.96Å; K107-K110 PolarHBondContact O-N 3.35Å; K107-Q111 WeakPolarHBondContact O-CG 3.32Å; K107-Q111 PolarHBondContact O-N 3.44Å; K107-Q111 VanDerWaalsContact O-N 3.12Å
108T94.7Very high93.9Very high24 Ų2450.5 Ų50.515%0.14725%0.253CS..Hα-helixtrans-62.5-42.5175.6-63.70000111.4D105 K110 Q111 L112 H146D105-T108 VanDerWaalsContact CG-CB 3.46Å; D105-T108 PolarHBondContact O-N 3.32Å; D105-T108 PolarHBondContact OD1-N 2.89Å; D105-T108 VanDerWaalsContact OD1-N 3.11Å; D105-T108 PolarHBondContact OD1-OG1 3.49Å; D105-T108 VanDerWaalsContact OD2-CB 3.22Å; D105-T108 WeakPolarHBondContact OD2-CB 3.48Å; D105-T108 PolarHBondContact OD2-OG1 2.88Å; T108-K110 VanDerWaalsContact C-N 3.31Å; T108-K110 PolarHBondContact O-N 3.23Å; T108-Q111 PolarHBondContact O-N 3.36Å; T108-L112 HydrophobicContact CG2-CD1 4.02Å; T108-L112 HydrophobicContact CG2-CG 4.45Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 3.15Å; T108-H146 WeakPolarHBondContact CG2-CE1 3.49Å; T108-H146 WeakPolarHBondContact CG2-NE2 3.5Å
109L95.6Very high93.7Very high3 Ų351.5 Ų51.52%0.01626%0.259CS..Hα-helixtrans-62.4-36.2177-62.3-179.9000112.8F99 D105 I106 A113 A148 N154 I158 L161F99-L109 HydrophobicContact CE2-CD1 3.87Å; F99-L109 HydrophobicContact CZ-CD1 4.33Å; D105-L109 WeakPolarHBondContact O-CG 3.39Å; D105-L109 PolarHBondContact O-N 2.95Å; D105-L109 VanDerWaalsContact O-N 3.13Å; I106-L109 PolarHBondContact O-N 3.09Å; L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 2.95Å; L109-A148 HydrophobicContact CD2-CB 4.19Å; L109-N154 HydrophobicContact CD2-CB 3.88Å; L109-I158 HydrophobicContact CB-CG1 4.31Å; L109-I158 HydrophobicContact CD2-CD1 4.07Å; L109-I158 HydrophobicContact CD2-CG1 3.98Å; L109-L161 HydrophobicContact CB-CD1 3.58Å
110K95.9Very high93.6Very high108 Ų10853.9 Ų53.947%0.4727%0.27SS..Hα-helixtrans-66-40.5174.6-79.3178.3177.3-1780112.2I106 K107 T108 A113 H114 L161I106-K110 HydrophobicContact CG1-CD 4.4Å; I106-K110 HydrophobicContact CG1-CG 4.35Å; I106-K110 WeakPolarHBondContact O-CB 3.44Å; I106-K110 WeakPolarHBondContact O-CG 3.14Å; I106-K110 PolarHBondContact O-N 2.73Å; K107-K110 PolarHBondContact O-N 3.35Å; T108-K110 VanDerWaalsContact C-N 3.31Å; T108-K110 PolarHBondContact O-N 3.23Å; K110-A113 PolarHBondContact O-N 3.46Å; K110-H114 PolarHBondContact O-N 2.84Å; K110-H114 VanDerWaalsContact O-N 3.1Å; K110-L161 HydrophobicContact CG-CD1 3.96Å; K110-L161 HydrophobicContact CG-CD2 3.91Å; K110-L161 HydrophobicContact CG-CG 4.48Å
111Q95.5Very high93.7Very high110 Ų11061.3 Ų61.351%0.51430%0.3SS..Hα-helixtrans-63.8-48175.8-70.7173.5-28.100110.9K107 T108 A113 H114 S115K107-Q111 WeakPolarHBondContact O-CG 3.32Å; K107-Q111 PolarHBondContact O-N 3.44Å; K107-Q111 VanDerWaalsContact O-N 3.12Å; T108-Q111 PolarHBondContact O-N 3.36Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 3.43Å; Q111-H114 WeakPolarHBondContact O-CB 3.46Å; Q111-H114 PolarHBondContact O-N 2.88Å; Q111-H114 VanDerWaalsContact O-N 3.12Å; Q111-S115 PolarHBondContact O-N 2.94Å; Q111-S115 PolarHBondContact O-OG 3.45Å
112L95.3Very high93.9Very high11 Ų1163 Ų636%0.05831%0.312CS..Hα-helixtrans-60.3-41.2176.5-68.5169000112.1T108 H114 S115 I116 L143 H146 A148 L149 I158T108-L112 HydrophobicContact CG2-CD1 4.02Å; T108-L112 HydrophobicContact CG2-CG 4.45Å; T108-L112 WeakPolarHBondContact O-CG 3.45Å; T108-L112 PolarHBondContact O-N 3.15Å; L112-H114 VanDerWaalsContact C-N 3.3Å; L112-H114 PolarHBondContact O-N 3.38Å; L112-S115 PolarHBondContact O-N 2.7Å; L112-I116 WeakPolarHBondContact O-CB 3.42Å; L112-I116 WeakPolarHBondContact O-CD1 3.36Å; L112-I116 VanDerWaalsContact O-CG1 3.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 3.19Å; L112-L143 HydrophobicContact CD2-CD2 3.92Å; L112-H146 HydrophobicContact CD2-CB 4.13Å; L112-A148 HydrophobicContact CD1-CB 3.79Å; L112-L149 HydrophobicContact CD1-CD2 4.3Å; L112-L149 HydrophobicContact CD1-CG 4.49Å; L112-L149 HydrophobicContact CD2-CD1 4.49Å; L112-I158 HydrophobicContact CB-CD1 3.92Å; L112-I158 HydrophobicContact CB-CG1 4.41Å; L112-I158 HydrophobicContact CD1-CD1 4.08Å
113A95.9Very high94.2Very high4 Ų469.1 Ų69.13%0.03334%0.34CS..Hα-helixtrans-59.6-40.6175.100000112.4L109 K110 Q111 N117 I158 L161 K162L109-A113 WeakPolarHBondContact O-CB 3.37Å; L109-A113 PolarHBondContact O-N 2.95Å; K110-A113 PolarHBondContact O-N 3.46Å; Q111-A113 VanDerWaalsContact C-N 3.33Å; Q111-A113 PolarHBondContact O-N 3.43Å; A113-N117 VanDerWaalsContact O-CG 3.31Å; A113-N117 PolarHBondContact O-N 3.26Å; A113-N117 PolarHBondContact O-ND2 2.9Å; A113-I158 HydrophobicContact CB-CG2 4.05Å; A113-L161 HydrophobicContact CB-CB 3.82Å; A113-K162 HydrophobicContact CB-CG 3.88Å
114H95.2Very high94.8Very high110 Ų11068 Ų6851%0.50934%0.34SS..Hα-helixtrans-65.3-51.6175.2-178.858.5000111.7K110 Q111 L112 I116 N117 E118K110-H114 PolarHBondContact O-N 2.84Å; K110-H114 VanDerWaalsContact O-N 3.1Å; Q111-H114 WeakPolarHBondContact O-CB 3.46Å; Q111-H114 PolarHBondContact O-N 2.88Å; Q111-H114 VanDerWaalsContact O-N 3.12Å; L112-H114 VanDerWaalsContact C-N 3.3Å; L112-H114 PolarHBondContact O-N 3.38Å; H114-I116 VanDerWaalsContact C-N 3.31Å; H114-I116 PolarHBondContact O-N 3.38Å; H114-N117 WeakPolarHBondContact O-CB 3.38Å; H114-N117 PolarHBondContact O-N 3.08Å; H114-N117 VanDerWaalsContact O-N 3.11Å; H114-E118 IonicContact CE1-OE1 2.8Å; H114-E118 IonicContact NE2-OE1 2.86Å; H114-E118 PolarHBondContact NE2-OE1 3.3Å; H114-E118 PolarHBondContact O-N 2.81Å
115S95.1Very high95.2Very high40 Ų4065.8 Ų65.828%0.2833%0.327SS..Hα-helixtrans-61.1-38179.1-57.30000112.7Q111 L112 E118 I119Q111-S115 PolarHBondContact O-N 2.94Å; Q111-S115 PolarHBondContact O-OG 3.45Å; L112-S115 PolarHBondContact O-N 2.7Å; S115-E118 PolarHBondContact O-N 2.86Å; S115-I119 WeakPolarHBondContact O-CG1 3.46Å; S115-I119 PolarHBondContact O-N 2.98Å
116I95.3Very high95.4Very high5 Ų565.2 Ų65.23%0.02633%0.328CS..Hα-helixtrans-64.1-40.9176-73.4165.2000111L112 H114 E118 I119 E120 Y135 I139 L143 L149 I158 K162L112-I116 WeakPolarHBondContact O-CB 3.42Å; L112-I116 WeakPolarHBondContact O-CD1 3.36Å; L112-I116 VanDerWaalsContact O-CG1 3.23Å; L112-I116 WeakPolarHBondContact O-CG1 3.47Å; L112-I116 PolarHBondContact O-N 3.19Å; H114-I116 VanDerWaalsContact C-N 3.31Å; H114-I116 PolarHBondContact O-N 3.38Å; I116-E118 VanDerWaalsContact C-N 3.29Å; I116-E118 PolarHBondContact O-N 2.77Å; I116-I119 PolarHBondContact O-N 3.28Å; I116-E120 HydrophobicContact CG2-CG 4.33Å; I116-E120 VanDerWaalsContact O-CG 3.32Å; I116-E120 WeakPolarHBondContact O-CG 3.27Å; I116-E120 PolarHBondContact O-N 3.49Å; I116-Y135 WeakPolarHBondContact CG2-OH 3.42Å; I116-I139 HydrophobicContact CD1-CG2 4.13Å; I116-I139 HydrophobicContact CG1-CG2 4.05Å; I116-I139 HydrophobicContact CG2-CD1 4.09Å; I116-L143 HydrophobicContact CD1-CD2 4.28Å; I116-L143 HydrophobicContact CG1-CD2 3.84Å; I116-L149 HydrophobicContact CD1-CD2 4.02Å; I116-I158 HydrophobicContact CD1-CD1 4.47Å; I116-I158 HydrophobicContact CD1-CG2 3.72Å; I116-K162 HydrophobicContact CG2-CD 3.95Å
117N94Very high95.5Very high48 Ų4867.8 Ų67.826%0.25734%0.34SS..Hα-helixtrans-61.1-39.1175.8-74.3-29.8000111.9A113 H114 Q121 K162A113-N117 VanDerWaalsContact O-CG 3.31Å; A113-N117 PolarHBondContact O-N 3.26Å; A113-N117 PolarHBondContact O-ND2 2.9Å; H114-N117 WeakPolarHBondContact O-CB 3.38Å; H114-N117 PolarHBondContact O-N 3.08Å; H114-N117 VanDerWaalsContact O-N 3.11Å; N117-Q121 WeakPolarHBondContact O-CG 3.48Å; N117-Q121 PolarHBondContact O-N 3.47Å; N117-K162 WeakPolarHBondContact OD1-CE 3.41Å; N117-K162 WeakPolarHBondContact OD1-CG 3.45Å
118E94.7Very high95.5Very high111 Ų11162.6 Ų62.652%0.51932%0.317SS..Hα-helixtrans-66.9-44.1175.9-64.7-178.5144.800111.3H114 S115 I116 E120 Q121 S122H114-E118 IonicContact CE1-OE1 2.8Å; H114-E118 IonicContact NE2-OE1 2.86Å; H114-E118 PolarHBondContact NE2-OE1 3.3Å; H114-E118 PolarHBondContact O-N 2.81Å; S115-E118 PolarHBondContact O-N 2.86Å; I116-E118 VanDerWaalsContact C-N 3.29Å; I116-E118 PolarHBondContact O-N 2.77Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.85Å; E118-Q121 PolarHBondContact O-N 3.44Å; E118-Q121 VanDerWaalsContact O-N 3.14Å; E118-S122 PolarHBondContact O-N 3.38Å
119I95.1Very high95.4Very high23 Ų2364.7 Ų64.712%0.11833%0.329CS..Hα-helixtrans-58.9-44.9176-73.7169.7000110.9S115 I116 Q121 S122 F125 I139 L142 L143S115-I119 WeakPolarHBondContact O-CG1 3.46Å; S115-I119 PolarHBondContact O-N 2.98Å; I116-I119 PolarHBondContact O-N 3.28Å; I119-Q121 PolarHBondContact O-N 3.02Å; I119-Q121 VanDerWaalsContact O-N 3.15Å; I119-S122 VanDerWaalsContact O-CB 3.29Å; I119-S122 WeakPolarHBondContact O-CB 3.47Å; I119-S122 PolarHBondContact O-N 2.94Å; I119-S122 PolarHBondContact O-OG 3.24Å; I119-F125 HydrophobicContact CG2-CB 4.35Å; I119-F125 HydrophobicContact CG2-CD2 4.02Å; I119-F125 WeakPolarHBondContact O-CB 3.33Å; I119-I139 HydrophobicContact CG2-CD1 4.06Å; I119-L142 HydrophobicContact CD1-CB 4.25Å; I119-L142 HydrophobicContact CG2-CB 3.83Å; I119-L142 HydrophobicContact CG2-CD1 3.67Å; I119-L142 HydrophobicContact CG2-CG 4.41Å; I119-L143 HydrophobicContact CD1-CB 3.67Å; I119-L143 HydrophobicContact CD1-CD1 3.82Å; I119-L143 HydrophobicContact CD1-CD2 4.44Å; I119-L143 HydrophobicContact CD1-CG 4.19Å
120E94.5Very high95.3Very high56 Ų5671.9 Ų71.926%0.26236%0.361SS..Hα-helixtrans-60.2-24.4179.4-76.4178.4148.400113.4I116 E118 F125 Y135 K162I116-E120 HydrophobicContact CG2-CG 4.33Å; I116-E120 VanDerWaalsContact O-CG 3.32Å; I116-E120 WeakPolarHBondContact O-CG 3.27Å; I116-E120 PolarHBondContact O-N 3.49Å; E118-E120 VanDerWaalsContact C-N 3.34Å; E118-E120 PolarHBondContact O-N 2.85Å; E120-F125 HydrophobicContact CG-CE2 4.16Å; E120-F125 HydrophobicContact CG-CZ 4.24Å; E120-Y135 HydrophobicContact CG-CE2 4.26Å; E120-Y135 VanDerWaalsContact OE1-CE2 3.29Å; E120-Y135 WeakPolarHBondContact OE1-CE2 3.32Å; E120-Y135 PolarHBondContact OE1-OH 3.13Å; E120-K162 IonicContact OE1-NZ 3.35Å; E120-K162 PolarHBondContact OE1-NZ 3.44Å; E120-K162 WeakPolarHBondContact OE2-CE 3.47Å; E120-K162 IonicContact OE2-NZ 3.3Å; E120-K162 PolarHBondContact OE2-NZ 2.96Å
121Q94.6Very high95.2Very high172 Ų17271.5 Ų71.580%0.80436%0.361SS*.THydrogen-bonded Turntrans-90.5-7.3176.3-65-179.22.300113.3N117 E118 I119N117-Q121 WeakPolarHBondContact O-CG 3.48Å; N117-Q121 PolarHBondContact O-N 3.47Å; E118-Q121 PolarHBondContact O-N 3.44Å; E118-Q121 VanDerWaalsContact O-N 3.14Å; I119-Q121 PolarHBondContact O-N 3.02Å; I119-Q121 VanDerWaalsContact O-N 3.15Å
122S96.2Very high95Very high35 Ų3566.9 Ų66.925%0.24534%0.342CS..SBendtrans-76.7151.2-177.374.50000113.2E118 I119 S124 F125 S126E118-S122 PolarHBondContact O-N 3.38Å; I119-S122 VanDerWaalsContact O-CB 3.29Å; I119-S122 WeakPolarHBondContact O-CB 3.47Å; I119-S122 PolarHBondContact O-N 2.94Å; I119-S122 PolarHBondContact O-OG 3.24Å; S122-S124 VanDerWaalsContact C-N 3.26Å; S122-S124 PolarHBondContact O-N 3.36Å; S122-F125 PolarHBondContact O-N 3.22Å; S122-F125 WeakPolarHBondContact OG-CB 3.41Å; S122-F125 PolarHBondContact OG-N 3.01Å; S122-F125 VanDerWaalsContact OG-N 3.11Å; S122-S126 PolarHBondContact O-N 3.01Å; S122-S126 PolarHBondContact O-OG 3.48Å
123E96.9Very high94.8Very high166 Ų16668.2 Ų68.278%0.77635%0.348SS*.Hα-helixtrans-61.5-37.5170.6-173.4176.9-174.200111.4F125 S126 Q127E123-F125 VanDerWaalsContact C-N 3.3Å; E123-F125 PolarHBondContact O-N 3.47Å; E123-S126 WeakPolarHBondContact O-CB 3.42Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 VanDerWaalsContact O-N 3.14Å; E123-Q127 PolarHBondContact O-N 3.29Å
124S96.5Very high94.5Very high68 Ų6869.1 Ų69.148%0.47635%0.353SS..Hα-helixtrans-60.1-38.4178.4-520000112.6S122 K128S122-S124 VanDerWaalsContact C-N 3.26Å; S122-S124 PolarHBondContact O-N 3.36Å; S124-K128 WeakPolarHBondContact O-CG 3.2Å; S124-K128 PolarHBondContact O-N 3.23Å; S124-K128 VanDerWaalsContact O-N 3.1Å
125F96.3Very high94.3Very high26 Ų2667.7 Ų67.711%0.11434%0.344CS..Hα-helixtrans-64.3-49.5173.4178.9-87.5000111.2I119 E120 S122 E123 Q127 K128 V129 Y135 I138 I139 L142I119-F125 HydrophobicContact CG2-CB 4.35Å; I119-F125 HydrophobicContact CG2-CD2 4.02Å; I119-F125 WeakPolarHBondContact O-CB 3.33Å; E120-F125 HydrophobicContact CG-CE2 4.16Å; E120-F125 HydrophobicContact CG-CZ 4.24Å; S122-F125 PolarHBondContact O-N 3.22Å; S122-F125 WeakPolarHBondContact OG-CB 3.41Å; S122-F125 PolarHBondContact OG-N 3.01Å; S122-F125 VanDerWaalsContact OG-N 3.11Å; E123-F125 VanDerWaalsContact C-N 3.3Å; E123-F125 PolarHBondContact O-N 3.47Å; F125-Q127 VanDerWaalsContact C-N 3.25Å; F125-Q127 PolarHBondContact O-N 3.4Å; F125-K128 PolarHBondContact O-N 3.42Å; F125-K128 VanDerWaalsContact O-N 3.17Å; F125-V129 HydrophobicContact CD1-CG2 4.05Å; F125-V129 HydrophobicContact CE1-CG2 3.7Å; F125-V129 HydrophobicContact CZ-CG2 4.1Å; F125-V129 WeakPolarHBondContact O-CG2 3.42Å; F125-V129 PolarHBondContact O-N 3.49Å; F125-Y135 AromaticContact CE2-CD2 3.81Å; F125-Y135 HydrophobicContact CE2-CD2 3.81Å; F125-Y135 AromaticContact CE2-CE2 3.81Å; F125-Y135 HydrophobicContact CE2-CE2 3.81Å; F125-Y135 AromaticContact CZ-CD2 3.73Å; F125-Y135 HydrophobicContact CZ-CD2 3.73Å; F125-Y135 AromaticContact CZ-CE2 3.89Å; F125-Y135 HydrophobicContact CZ-CE2 3.89Å; F125-I138 HydrophobicContact CD2-CB 4.43Å; F125-I138 HydrophobicContact CD2-CG2 3.32Å; F125-I138 HydrophobicContact CE2-CB 4.35Å; F125-I138 HydrophobicContact CE2-CG2 3.69Å; F125-I138 HydrophobicContact CG-CG2 4.11Å; F125-I139 HydrophobicContact CD2-CD1 4.33Å; F125-I139 HydrophobicContact CE2-CD1 4.02Å; F125-L142 HydrophobicContact CB-CD1 3.82Å; F125-L142 HydrophobicContact CD2-CD1 4.34Å
126S95.8Very high94Very high60 Ų6069.2 Ų69.242%0.4235%0.353SS..Hα-helixtrans-57.2-39.4178-64.30000112.3S122 E123 V129 K130S122-S126 PolarHBondContact O-N 3.01Å; S122-S126 PolarHBondContact O-OG 3.48Å; E123-S126 WeakPolarHBondContact O-CB 3.42Å; E123-S126 PolarHBondContact O-N 2.87Å; E123-S126 VanDerWaalsContact O-N 3.14Å; S126-V129 PolarHBondContact O-N 3.04Å; S126-K130 WeakPolarHBondContact O-CG 3.17Å; S126-K130 PolarHBondContact O-N 2.71Å
127Q96.7Very high93.7Very high97 Ų9774.8 Ų74.845%0.45337%0.374SS..Hα-helixtrans-66-46.4176.8-175.16016.900112.1E123 F125 V129 K130 E131E123-Q127 PolarHBondContact O-N 3.29Å; F125-Q127 VanDerWaalsContact C-N 3.25Å; F125-Q127 PolarHBondContact O-N 3.4Å; Q127-V129 VanDerWaalsContact C-N 3.29Å; Q127-V129 PolarHBondContact O-N 3.43Å; Q127-K130 WeakPolarHBondContact O-CB 3.38Å; Q127-K130 PolarHBondContact O-N 3.32Å; Q127-E131 PolarHBondContact O-N 3.47Å; Q127-E131 VanDerWaalsContact O-N 3.07Å
128K95Very high93.7Very high37 Ų3772.6 Ų72.616%0.16136%0.362CS..Hα-helixtrans-66.7-28.5178.1-69.4-177.4-174.6-70.30113.1S124 F125 E131 K133 I138 E141 L142S124-K128 WeakPolarHBondContact O-CG 3.2Å; S124-K128 PolarHBondContact O-N 3.23Å; S124-K128 VanDerWaalsContact O-N 3.1Å; F125-K128 PolarHBondContact O-N 3.42Å; F125-K128 VanDerWaalsContact O-N 3.17Å; K128-E131 WeakPolarHBondContact O-CB 3.31Å; K128-E131 PolarHBondContact O-N 3.14Å; K128-K133 HydrophobicContact CB-CD 4.33Å; K128-K133 PolarHBondContact O-N 3.23Å; K128-I138 HydrophobicContact CB-CB 4.45Å; K128-I138 HydrophobicContact CB-CD1 4.11Å; K128-I138 HydrophobicContact CB-CG1 3.85Å; K128-I138 HydrophobicContact CB-CG2 3.95Å; K128-I138 HydrophobicContact CD-CG2 4.09Å; K128-E141 HydrophobicContact CD-CB 4.29Å; K128-E141 IonicContact NZ-OE2 3.46Å; K128-E141 PolarHBondContact NZ-OE2 3.15Å; K128-L142 HydrophobicContact CD-CD1 4.04Å; K128-L142 HydrophobicContact CD-CD2 3.92Å; K128-L142 HydrophobicContact CD-CG 3.78Å
129V92.9Very high93.6Very high68 Ų6867.9 Ų67.941%0.41234%0.34SS..Hα-helixtrans-62.7-44.5169.9172.30000110.4F125 S126 Q127 E131 G132 I138F125-V129 HydrophobicContact CD1-CG2 4.05Å; F125-V129 HydrophobicContact CE1-CG2 3.7Å; F125-V129 HydrophobicContact CZ-CG2 4.1Å; F125-V129 WeakPolarHBondContact O-CG2 3.42Å; F125-V129 PolarHBondContact O-N 3.49Å; S126-V129 PolarHBondContact O-N 3.04Å; Q127-V129 VanDerWaalsContact C-N 3.29Å; Q127-V129 PolarHBondContact O-N 3.43Å; V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 3.27Å; V129-G132 WeakPolarHBondContact O-CA 3.47Å; V129-G132 PolarHBondContact O-N 3.47Å; V129-I138 HydrophobicContact CB-CD1 4.23Å; V129-I138 HydrophobicContact CG2-CD1 3.48Å; V129-I138 VanDerWaalsContact CG2-CD1 3.48Å
130K93.3Very high93.3Very high155 Ų15569 Ų6967%0.67435%0.35SS*.Hα-helixtrans-63.3-32.6176.9-67.4171.2-176.9174.30112.5S126 Q127 G132S126-K130 WeakPolarHBondContact O-CG 3.17Å; S126-K130 PolarHBondContact O-N 2.71Å; Q127-K130 WeakPolarHBondContact O-CB 3.38Å; Q127-K130 PolarHBondContact O-N 3.32Å; K130-G132 PolarHBondContact O-N 3.1Å; K130-G132 VanDerWaalsContact O-N 3.08Å
131E93.7Very high93.2Very high100 Ų10069.7 Ų69.747%0.46735%0.354SS..THydrogen-bonded Turntrans-64.9-6.2171.2-65.2169.1-154.500113.6Q127 K128 V129 K133Q127-E131 PolarHBondContact O-N 3.47Å; Q127-E131 VanDerWaalsContact O-N 3.07Å; K128-E131 WeakPolarHBondContact O-CB 3.31Å; K128-E131 PolarHBondContact O-N 3.14Å; V129-E131 VanDerWaalsContact C-N 3.28Å; V129-E131 PolarHBondContact O-N 3.27Å; E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 HydrophobicContact CB-CG 4.4Å; E131-K133 PolarHBondContact O-N 2.82Å; E131-K133 WeakPolarHBondContact OE2-CE 3.45Å; E131-K133 IonicContact OE2-NZ 3.88Å; E131-K133 PolarHBondContact OE2-NZ 2.77Å
132G90.8Very high93.2Very high12 Ų1264 Ų6412%0.12433%0.328CS..THydrogen-bonded Turntrans75.220.9178.300000114V129 K130 R283V129-G132 WeakPolarHBondContact O-CA 3.47Å; V129-G132 PolarHBondContact O-N 3.47Å; K130-G132 PolarHBondContact O-N 3.1Å; K130-G132 VanDerWaalsContact O-N 3.08Å; G132-R283 VanDerWaalsContact O-CA 3.26Å; G132-R283 WeakPolarHBondContact O-CA 3.31Å; G132-R283 WeakPolarHBondContact O-CB 3.37Å
133K91.7Very high92.9Very high40 Ų4063.6 Ų63.617%0.17432%0.323CS..  trans-73.6148.3172.7-68.6173.9174.6165.80110.3K128 E131 R137 I138 E141K128-K133 HydrophobicContact CB-CD 4.33Å; K128-K133 PolarHBondContact O-N 3.23Å; E131-K133 VanDerWaalsContact C-N 3.33Å; E131-K133 HydrophobicContact CB-CG 4.4Å; E131-K133 PolarHBondContact O-N 2.82Å; E131-K133 WeakPolarHBondContact OE2-CE 3.45Å; E131-K133 IonicContact OE2-NZ 3.88Å; E131-K133 PolarHBondContact OE2-NZ 2.77Å; K133-R137 HydrophobicContact CB-CG 4.49Å; K133-I138 HydrophobicContact CB-CD1 4.22Å; K133-I138 HydrophobicContact CB-CG1 3.71Å; K133-E141 WeakPolarHBondContact CE-OE1 3.45Å; K133-E141 IonicContact NZ-OE1 2.69Å; K133-E141 PolarHBondContact NZ-OE1 3.3Å; K133-E141 IonicContact NZ-OE2 2.92Å; K133-E141 PolarHBondContact NZ-OE2 3.15Å
134S89.8Confident92.2Very high22 Ų2264 Ų6415%0.15433%0.325CS..  trans-72.8148.5174.465.50000110.4R137 I138 R283S134-R137 WeakPolarHBondContact O-CA 3.37Å; S134-R137 WeakPolarHBondContact O-CB 3.27Å; S134-R137 PolarHBondContact O-N 3.03Å; S134-R137 WeakPolarHBondContact OG-CB 3.44Å; S134-I138 WeakPolarHBondContact O-CG1 3.4Å; S134-I138 PolarHBondContact O-N 3.46Å; S134-R283 WeakPolarHBondContact CB-O 3.41Å
135Y90.6Very high91.2Very high80 Ų8069.1 Ų69.131%0.31434%0.341SS..Hα-helixtrans-48.8-48.7178.5173.1-90000113.9D79 I116 E120 F125 R137 I138 I139 K162D79-Y135 PolarHBondContact OD2-OH 2.98Å; I116-Y135 WeakPolarHBondContact CG2-OH 3.42Å; E120-Y135 HydrophobicContact CG-CE2 4.26Å; E120-Y135 VanDerWaalsContact OE1-CE2 3.29Å; E120-Y135 WeakPolarHBondContact OE1-CE2 3.32Å; E120-Y135 PolarHBondContact OE1-OH 3.13Å; F125-Y135 AromaticContact CE2-CD2 3.81Å; F125-Y135 HydrophobicContact CE2-CD2 3.81Å; F125-Y135 AromaticContact CE2-CE2 3.81Å; F125-Y135 HydrophobicContact CE2-CE2 3.81Å; F125-Y135 AromaticContact CZ-CD2 3.73Å; F125-Y135 HydrophobicContact CZ-CD2 3.73Å; F125-Y135 AromaticContact CZ-CE2 3.89Å; F125-Y135 HydrophobicContact CZ-CE2 3.89Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.3Å; Y135-I138 WeakPolarHBondContact O-CB 3.39Å; Y135-I138 PolarHBondContact O-N 3.32Å; Y135-I139 HydrophobicContact CD1-CG1 4.28Å; Y135-I139 HydrophobicContact CD2-CG1 4.4Å; Y135-I139 HydrophobicContact CE1-CG1 3.8Å; Y135-I139 HydrophobicContact CE2-CD1 3.95Å; Y135-I139 HydrophobicContact CE2-CG1 3.93Å; Y135-I139 PolarHBondContact O-N 3.38Å; Y135-K162 PolarHBondContact OH-NZ 2.9Å
136P88.9Confident90.5Very high73 Ų7371.7 Ų71.747%0.47435%0.354SS..Hα-helixtrans-58.8-36.8177.6-25.235.6000113.4S140 T285P136-S140 PolarHBondContact O-N 2.93Å; P136-S140 PolarHBondContact O-OG 3.44Å; P136-T285 HydrophobicContact CG-CG2 4.4Å
137R89.8Confident90.1Very high122 Ų12276 Ų7646%0.4637%0.367SS..Hα-helixtrans-69-37.1176.7179.3177.4176163.66.8111.9K133 S134 Y135 S140 E141K133-R137 HydrophobicContact CB-CG 4.49Å; S134-R137 WeakPolarHBondContact O-CA 3.37Å; S134-R137 WeakPolarHBondContact O-CB 3.27Å; S134-R137 PolarHBondContact O-N 3.03Å; S134-R137 WeakPolarHBondContact OG-CB 3.44Å; Y135-R137 VanDerWaalsContact C-N 3.26Å; Y135-R137 PolarHBondContact O-N 3.3Å; R137-S140 WeakPolarHBondContact CA-OG 3.24Å; R137-S140 PolarHBondContact O-N 2.95Å; R137-S140 PolarHBondContact O-OG 3.3Å; R137-E141 IonicContact CZ-OE1 2.82Å; R137-E141 IonicContact NE-OE1 2.75Å; R137-E141 PolarHBondContact NE-OE1 3.35Å; R137-E141 IonicContact NH2-OE1 3.65Å; R137-E141 WeakPolarHBondContact O-CB 2.92Å; R137-E141 WeakPolarHBondContact O-CG 3.16Å; R137-E141 PolarHBondContact O-N 2.95Å; R137-E141 VanDerWaalsContact O-N 3.1Å
138I93.3Very high89.6Confident2 Ų271.8 Ų71.81%0.0135%0.349CS..Hα-helixtrans-64.3-49177.5-62.9175.3000109.7F125 K128 V129 K133 S134 Y135 S140 E141 L142F125-I138 HydrophobicContact CD2-CB 4.43Å; F125-I138 HydrophobicContact CD2-CG2 3.32Å; F125-I138 HydrophobicContact CE2-CB 4.35Å; F125-I138 HydrophobicContact CE2-CG2 3.69Å; F125-I138 HydrophobicContact CG-CG2 4.11Å; K128-I138 HydrophobicContact CB-CB 4.45Å; K128-I138 HydrophobicContact CB-CD1 4.11Å; K128-I138 HydrophobicContact CB-CG1 3.85Å; K128-I138 HydrophobicContact CB-CG2 3.95Å; K128-I138 HydrophobicContact CD-CG2 4.09Å; V129-I138 HydrophobicContact CB-CD1 4.23Å; V129-I138 HydrophobicContact CG2-CD1 3.48Å; V129-I138 VanDerWaalsContact CG2-CD1 3.48Å; K133-I138 HydrophobicContact CB-CD1 4.22Å; K133-I138 HydrophobicContact CB-CG1 3.71Å; S134-I138 WeakPolarHBondContact O-CG1 3.4Å; S134-I138 PolarHBondContact O-N 3.46Å; Y135-I138 WeakPolarHBondContact O-CB 3.39Å; Y135-I138 PolarHBondContact O-N 3.32Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 2.89Å; I138-E141 PolarHBondContact O-N 3.34Å; I138-E141 VanDerWaalsContact O-N 3.15Å; I138-L142 HydrophobicContact CG2-CD1 3.73Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 PolarHBondContact O-N 3.36Å
139I92.8Very high89.2Confident11 Ų1171.7 Ų71.76%0.05635%0.35CS..Hα-helixtrans-59.8-44.5177.4-61.3-55.2000110.7I116 I119 F125 Y135 E141 L142 L143 L149I116-I139 HydrophobicContact CD1-CG2 4.13Å; I116-I139 HydrophobicContact CG1-CG2 4.05Å; I116-I139 HydrophobicContact CG2-CD1 4.09Å; I119-I139 HydrophobicContact CG2-CD1 4.06Å; F125-I139 HydrophobicContact CD2-CD1 4.33Å; F125-I139 HydrophobicContact CE2-CD1 4.02Å; Y135-I139 HydrophobicContact CD1-CG1 4.28Å; Y135-I139 HydrophobicContact CD2-CG1 4.4Å; Y135-I139 HydrophobicContact CE1-CG1 3.8Å; Y135-I139 HydrophobicContact CE2-CD1 3.95Å; Y135-I139 HydrophobicContact CE2-CG1 3.93Å; Y135-I139 PolarHBondContact O-N 3.38Å; I139-E141 PolarHBondContact O-N 3.31Å; I139-L142 PolarHBondContact O-N 3.04Å; I139-L143 HydrophobicContact CG2-CB 4.47Å; I139-L143 HydrophobicContact CG2-CD2 4.37Å; I139-L143 VanDerWaalsContact O-CB 3.25Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 PolarHBondContact O-N 2.95Å; I139-L149 HydrophobicContact CG2-CD1 4.43Å
140S89.9Confident88.9Confident47 Ų4772.4 Ų72.433%0.32936%0.363SS..Hα-helixtrans-65.9-22.5178.470.60000114.8P136 R137 I138P136-S140 PolarHBondContact O-N 2.93Å; P136-S140 PolarHBondContact O-OG 3.44Å; R137-S140 WeakPolarHBondContact CA-OG 3.24Å; R137-S140 PolarHBondContact O-N 2.95Å; R137-S140 PolarHBondContact O-OG 3.3Å; I138-S140 VanDerWaalsContact C-N 3.33Å; I138-S140 PolarHBondContact O-N 2.89Å
141E91.9Very high88.6Confident71 Ų7166.4 Ų66.433%0.33234%0.341SS..Hα-helixtrans-90.7-25.1178.5-76.3-178.6-159.300112.9K128 K133 R137 I138 I139K128-E141 HydrophobicContact CD-CB 4.29Å; K128-E141 IonicContact NZ-OE2 3.46Å; K128-E141 PolarHBondContact NZ-OE2 3.15Å; K133-E141 WeakPolarHBondContact CE-OE1 3.45Å; K133-E141 IonicContact NZ-OE1 2.69Å; K133-E141 PolarHBondContact NZ-OE1 3.3Å; K133-E141 IonicContact NZ-OE2 2.92Å; K133-E141 PolarHBondContact NZ-OE2 3.15Å; R137-E141 IonicContact CZ-OE1 2.82Å; R137-E141 IonicContact NE-OE1 2.75Å; R137-E141 PolarHBondContact NE-OE1 3.35Å; R137-E141 IonicContact NH2-OE1 3.65Å; R137-E141 WeakPolarHBondContact O-CB 2.92Å; R137-E141 WeakPolarHBondContact O-CG 3.16Å; R137-E141 PolarHBondContact O-N 2.95Å; R137-E141 VanDerWaalsContact O-N 3.1Å; I138-E141 PolarHBondContact O-N 3.34Å; I138-E141 VanDerWaalsContact O-N 3.15Å; I139-E141 PolarHBondContact O-N 3.31Å
142L93.4Very high88.3Confident51 Ų5164.7 Ų64.727%0.26734%0.338SS..Hα-helixtrans-100.5-23.6-177.1-69.8179.3000113.6I119 F125 K128 I138 I139I119-L142 HydrophobicContact CD1-CB 4.25Å; I119-L142 HydrophobicContact CG2-CB 3.83Å; I119-L142 HydrophobicContact CG2-CD1 3.67Å; I119-L142 HydrophobicContact CG2-CG 4.41Å; F125-L142 HydrophobicContact CB-CD1 3.82Å; F125-L142 HydrophobicContact CD2-CD1 4.34Å; K128-L142 HydrophobicContact CD-CD1 4.04Å; K128-L142 HydrophobicContact CD-CD2 3.92Å; K128-L142 HydrophobicContact CD-CG 3.78Å; I138-L142 HydrophobicContact CG2-CD1 3.73Å; I138-L142 HydrophobicContact CG2-CG 4.41Å; I138-L142 PolarHBondContact O-N 3.36Å; I139-L142 PolarHBondContact O-N 3.04Å
143L90.6Very high88.3Confident27 Ų2765.3 Ų65.314%0.14134%0.339CS..SBendtrans-103.4137.3173.7-167.254.8000107.9L112 I116 I119 I139 H145 L149L112-L143 HydrophobicContact CD2-CD2 3.92Å; I116-L143 HydrophobicContact CD1-CD2 4.28Å; I116-L143 HydrophobicContact CG1-CD2 3.84Å; I119-L143 HydrophobicContact CD1-CB 3.67Å; I119-L143 HydrophobicContact CD1-CD1 3.82Å; I119-L143 HydrophobicContact CD1-CD2 4.44Å; I119-L143 HydrophobicContact CD1-CG 4.19Å; I139-L143 HydrophobicContact CG2-CB 4.47Å; I139-L143 HydrophobicContact CG2-CD2 4.37Å; I139-L143 VanDerWaalsContact O-CB 3.25Å; I139-L143 WeakPolarHBondContact O-CB 3.49Å; I139-L143 PolarHBondContact O-N 2.95Å; L143-H145 PolarHBondContact O-N 3.4Å; L143-L149 HydrophobicContact CD2-CD1 3.61Å; L143-L149 HydrophobicContact CG-CD1 4.23Å
144E82.8Confident88.4Confident176 Ų17663.5 Ų63.582%0.82233%0.331SS*.  trans-51.5140.5172.9-68.5-173.4167.400110.2H146E144-H146 PolarHBondContact O-N 3.43Å
145H75.4Confident88.6Confident175 Ų17566.1 Ų66.181%0.8134%0.342SS*.  trans-55.2111.1-178.5-75.7-53000110.3L143L143-H145 PolarHBondContact O-N 3.4Å
146H81.5Confident88.8Confident80 Ų8064.4 Ų64.437%0.3734%0.338SS..  trans-118.8125179.1-164.8-67.7000109.5T108 L112 E144 A148 L149T108-H146 WeakPolarHBondContact CG2-CE1 3.49Å; T108-H146 WeakPolarHBondContact CG2-NE2 3.5Å; L112-H146 HydrophobicContact CD2-CB 4.13Å; E144-H146 PolarHBondContact O-N 3.43Å; H146-A148 VanDerWaalsContact ND1-CB 3.31Å; H146-A148 WeakPolarHBondContact ND1-CB 3.39Å; H146-A148 PolarHBondContact ND1-N 3.32Å; H146-A148 VanDerWaalsContact ND1-N 3.2Å; H146-A148 PolarHBondContact O-N 2.86Å; H146-A148 VanDerWaalsContact O-N 3.13Å; H146-L149 HydrophobicContact CB-CD1 4.1Å; H146-L149 HydrophobicContact CB-CG 4.26Å; H146-L149 WeakPolarHBondContact O-CB 3.4Å; H146-L149 PolarHBondContact O-N 2.86Å
147E86.6Confident89.2Confident149 Ų14960.9 Ų60.970%0.69632%0.316SS*.G310 helixtrans-54.5-37.3-175.4-170.9-173.4167.500112.4L149 A150E147-L149 PolarHBondContact O-N 2.67Å; E147-L149 VanDerWaalsContact O-N 3.1Å; E147-A150 VanDerWaalsContact O-CB 3.26Å; E147-A150 WeakPolarHBondContact O-CB 3.44Å; E147-A150 PolarHBondContact O-N 2.93Å
148A86.1Confident89.5Confident9 Ų955.3 Ų55.37%0.07430%0.295CS..G310 helixtrans-56.2-27.4176.200000114.2L109 L112 H146 A150 N154L109-A148 HydrophobicContact CD2-CB 4.19Å; L112-A148 HydrophobicContact CD1-CB 3.79Å; H146-A148 VanDerWaalsContact ND1-CB 3.31Å; H146-A148 WeakPolarHBondContact ND1-CB 3.39Å; H146-A148 PolarHBondContact ND1-N 3.32Å; H146-A148 VanDerWaalsContact ND1-N 3.2Å; H146-A148 PolarHBondContact O-N 2.86Å; H146-A148 VanDerWaalsContact O-N 3.13Å; A148-A150 VanDerWaalsContact C-N 3.28Å; A148-A150 PolarHBondContact O-N 3.45Å; A148-N154 WeakPolarHBondContact O-CB 3.38Å; A148-N154 PolarHBondContact O-ND2 2.95Å
149L87.7Confident89.7Confident35 Ų3555.6 Ų55.618%0.18330%0.297CS..G310 helixtrans-80.9-6.8177.9-58.1172.7000113.2L112 I116 I139 L143 H146 E147 S151 I155 I158L112-L149 HydrophobicContact CD1-CD2 4.3Å; L112-L149 HydrophobicContact CD1-CG 4.49Å; L112-L149 HydrophobicContact CD2-CD1 4.49Å; I116-L149 HydrophobicContact CD1-CD2 4.02Å; I139-L149 HydrophobicContact CG2-CD1 4.43Å; L143-L149 HydrophobicContact CD2-CD1 3.61Å; L143-L149 HydrophobicContact CG-CD1 4.23Å; H146-L149 HydrophobicContact CB-CD1 4.1Å; H146-L149 HydrophobicContact CB-CG 4.26Å; H146-L149 WeakPolarHBondContact O-CB 3.4Å; H146-L149 PolarHBondContact O-N 2.86Å; E147-L149 PolarHBondContact O-N 2.67Å; E147-L149 VanDerWaalsContact O-N 3.1Å; L149-S151 VanDerWaalsContact C-N 3.32Å; L149-I155 WeakPolarHBondContact O-CD1 3.26Å; L149-I158 HydrophobicContact CD2-CD1 3.58Å
150A85.4Confident89.9Confident84 Ų8455.6 Ų55.669%0.69430%0.296SS*.G310 helixtrans-80.6-16.7175.400000112.6E147 A148E147-A150 VanDerWaalsContact O-CB 3.26Å; E147-A150 WeakPolarHBondContact O-CB 3.44Å; E147-A150 PolarHBondContact O-N 2.93Å; A148-A150 VanDerWaalsContact C-N 3.28Å; A148-A150 PolarHBondContact O-N 3.45Å
151S87.5Confident90.3Very high29 Ų2953.9 Ų53.920%0.20328%0.283CS..SBendtrans-109.2133.4-168.6-50.80000112.9E102 L149 N153 N154 I155E102-S151 WeakPolarHBondContact OE1-CB 3.44Å; E102-S151 WeakPolarHBondContact OE2-CB 3.31Å; L149-S151 VanDerWaalsContact C-N 3.32Å; S151-N153 PolarHBondContact O-N 3.04Å; S151-N154 PolarHBondContact O-N 2.79Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 3.29Å; S151-I155 VanDerWaalsContact O-N 3.1Å
152P88.3Confident90.6Very high64 Ų6451.1 Ų51.142%0.41627%0.271SS..Hα-helixtrans-65.5-33.9-168.624-33.9000114.4L156P152-L156 PolarHBondContact O-N 3.08Å; P152-L156 VanDerWaalsContact O-N 3.13Å
153N90.9Very high90.8Very high24 Ų2449 Ų4913%0.12826%0.261CS..Hα-helixtrans-79.6-35.2-178.4-53.8-91.3000111.5G100 E102 S151 L156 G157 H183G100-N153 WeakPolarHBondContact O-CB 3.22Å; E102-N153 WeakPolarHBondContact OE1-CB 3.47Å; E102-N153 PolarHBondContact OE1-N 2.97Å; E102-N153 PolarHBondContact OE1-ND2 3.45Å; S151-N153 PolarHBondContact O-N 3.04Å; N153-L156 PolarHBondContact O-N 2.83Å; N153-G157 PolarHBondContact O-N 3.31Å; N153-H183 PolarHBondContact ND2-CD2 3.42Å; N153-H183 VanDerWaalsContact ND2-CD2 3.32Å; N153-H183 PolarHBondContact ND2-CE1 3.16Å; N153-H183 PolarHBondContact ND2-NE2 3.37Å
154N93.6Very high91.2Very high3 Ų348.5 Ų48.52%0.01626%0.258CS..Hα-helixtrans-57.8-47.2168.6-72.3-17.1000111.7S101 E102 L109 A148 S151 L156 G157 I158S101-N154 WeakPolarHBondContact CB-OD1 3.46Å; E102-N154 PolarHBondContact N-OD1 3.04Å; E102-N154 PolarHBondContact OE2-N 2.89Å; E102-N154 PolarHBondContact OE2-ND2 2.8Å; E102-N154 PolarHBondContact OE2-OD1 2.94Å; E102-N154 VanDerWaalsContact OE2-OD1 3.04Å; L109-N154 HydrophobicContact CD2-CB 3.88Å; A148-N154 WeakPolarHBondContact O-CB 3.38Å; A148-N154 PolarHBondContact O-ND2 2.95Å; S151-N154 PolarHBondContact O-N 2.79Å; N154-L156 VanDerWaalsContact C-N 3.33Å; N154-L156 PolarHBondContact O-N 3.45Å; N154-G157 PolarHBondContact O-N 2.81Å; N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.17Å; N154-I158 PolarHBondContact O-N 3.04Å
155I93.4Very high91.8Very high77 Ų7742.8 Ų42.840%0.39524%0.241SC..Hα-helixtrans-57.7-46.8176.6-65167.3000110.8L149 S151 I158 S159L149-I155 WeakPolarHBondContact O-CD1 3.26Å; S151-I155 WeakPolarHBondContact O-CG1 3.43Å; S151-I155 PolarHBondContact O-N 3.29Å; S151-I155 VanDerWaalsContact O-N 3.1Å; I155-I158 WeakPolarHBondContact O-CB 3.22Å; I155-I158 PolarHBondContact O-N 3.19Å; I155-S159 PolarHBondContact O-N 2.77Å; I155-S159 VanDerWaalsContact O-N 3.08Å
156L94.9Very high92.8Very high43 Ų4341.4 Ų41.423%0.22523%0.232CC..Hα-helixtrans-66.3-39178.6-175.258.5000112M43 F81 P152 N153 N154 I158 S159 Y160M43-L156 HydrophobicContact CE-CD1 4.2Å; M43-L156 HydrophobicContact SD-CD1 4.14Å; F81-L156 HydrophobicContact CD1-CD1 4.1Å; F81-L156 HydrophobicContact CE1-CD1 4.36Å; P152-L156 PolarHBondContact O-N 3.08Å; P152-L156 VanDerWaalsContact O-N 3.13Å; N153-L156 PolarHBondContact O-N 2.83Å; N154-L156 VanDerWaalsContact C-N 3.33Å; N154-L156 PolarHBondContact O-N 3.45Å; L156-I158 VanDerWaalsContact C-N 3.33Å; L156-I158 PolarHBondContact O-N 3.29Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.33Å; L156-Y160 HydrophobicContact CD1-CE1 4.13Å; L156-Y160 HydrophobicContact CD1-CE2 4.4Å; L156-Y160 HydrophobicContact CD2-CE2 4.24Å; L156-Y160 WeakPolarHBondContact CD2-OH 3.49Å; L156-Y160 HydrophobicContact CG-CE1 4.33Å; L156-Y160 HydrophobicContact CG-CE2 3.73Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 2.7Å
157G96.6Very high93.5Very high0 Ų039.9 Ų39.90%023%0.227CC..Hα-helixtrans-58.1-43.3172.600000112.5N153 N154 Y160 L161N153-G157 PolarHBondContact O-N 3.31Å; N154-G157 PolarHBondContact O-N 2.81Å; G157-Y160 WeakPolarHBondContact O-CB 3.42Å; G157-Y160 PolarHBondContact O-N 3.35Å; G157-L161 VanDerWaalsContact O-CG 3.3Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.4Å
158I96.5Very high94Very high5 Ų532.9 Ų32.93%0.02619%0.194CC..Hα-helixtrans-59.7-46.1173.4-72.2166.6000110.6L109 L112 A113 I116 L149 N154 I155 L156 Y160 L161 K162L109-I158 HydrophobicContact CB-CG1 4.31Å; L109-I158 HydrophobicContact CD2-CD1 4.07Å; L109-I158 HydrophobicContact CD2-CG1 3.98Å; L112-I158 HydrophobicContact CB-CD1 3.92Å; L112-I158 HydrophobicContact CB-CG1 4.41Å; L112-I158 HydrophobicContact CD1-CD1 4.08Å; A113-I158 HydrophobicContact CB-CG2 4.05Å; I116-I158 HydrophobicContact CD1-CD1 4.47Å; I116-I158 HydrophobicContact CD1-CG2 3.72Å; L149-I158 HydrophobicContact CD2-CD1 3.58Å; N154-I158 VanDerWaalsContact O-CG1 3.3Å; N154-I158 WeakPolarHBondContact O-CG1 3.17Å; N154-I158 PolarHBondContact O-N 3.04Å; I155-I158 WeakPolarHBondContact O-CB 3.22Å; I155-I158 PolarHBondContact O-N 3.19Å; L156-I158 VanDerWaalsContact C-N 3.33Å; L156-I158 PolarHBondContact O-N 3.29Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; I158-Y160 PolarHBondContact O-N 3.37Å; I158-L161 PolarHBondContact O-N 3.08Å; I158-L161 VanDerWaalsContact O-N 3.13Å; I158-K162 HydrophobicContact CG2-CD 4.12Å; I158-K162 HydrophobicContact CG2-CG 4.42Å; I158-K162 WeakPolarHBondContact O-CG 3.5Å; I158-K162 PolarHBondContact O-N 3.49Å
159S97.4Very high94.4Very high8 Ų840.9 Ų40.96%0.05623%0.228CC..Hα-helixtrans-58.6-40175.3-67.90000112.3D79 A82 I155 L156 K162 A163D79-S159 WeakPolarHBondContact OD1-CB 3.38Å; D79-S159 PolarHBondContact OD1-OG 3.47Å; A82-S159 VanDerWaalsContact CB-C 3.46Å; A82-S159 WeakPolarHBondContact CB-O 3.41Å; I155-S159 PolarHBondContact O-N 2.77Å; I155-S159 VanDerWaalsContact O-N 3.08Å; L156-S159 WeakPolarHBondContact O-CB 3.43Å; L156-S159 PolarHBondContact O-N 3.33Å; S159-K162 PolarHBondContact O-N 3.34Å; S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.31Å
160Y98.4Very high94.7Very high10 Ų1046.1 Ų46.14%0.03926%0.256CS..Hα-helixtrans-63.7-43.1173.3-59.4-42.2000112.5I7 F81 A82 F99 L156 G157 I158 A163 I164I7-Y160 HydrophobicContact CB-CE1 4.08Å; I7-Y160 HydrophobicContact CD1-CD1 3.68Å; I7-Y160 HydrophobicContact CD1-CE1 3.53Å; I7-Y160 HydrophobicContact CD1-CG 4.39Å; I7-Y160 HydrophobicContact CG1-CE1 4.42Å; I7-Y160 HydrophobicContact CG2-CE1 3.89Å; I7-Y160 WeakPolarHBondContact CG2-OH 3.31Å; F81-Y160 HydrophobicContact CD1-CE1 4.25Å; F81-Y160 HydrophobicContact CE1-CE1 4.05Å; F81-Y160 WeakPolarHBondContact CE1-OH 3.39Å; A82-Y160 HydrophobicContact CB-CD1 3.49Å; A82-Y160 VanDerWaalsContact CB-CD1 3.49Å; A82-Y160 HydrophobicContact CB-CE1 3.93Å; A82-Y160 HydrophobicContact CB-CG 4.46Å; F99-Y160 HydrophobicContact CB-CD2 3.68Å; F99-Y160 HydrophobicContact CB-CE2 3.75Å; F99-Y160 AromaticContact CD1-CD2 3.95Å; F99-Y160 HydrophobicContact CD1-CD2 3.95Å; F99-Y160 AromaticContact CG-CD2 3.85Å; F99-Y160 HydrophobicContact CG-CD2 3.85Å; F99-Y160 HydrophobicContact CG-CE2 4.39Å; L156-Y160 HydrophobicContact CD1-CE1 4.13Å; L156-Y160 HydrophobicContact CD1-CE2 4.4Å; L156-Y160 HydrophobicContact CD2-CE2 4.24Å; L156-Y160 WeakPolarHBondContact CD2-OH 3.49Å; L156-Y160 HydrophobicContact CG-CE1 4.33Å; L156-Y160 HydrophobicContact CG-CE2 3.73Å; L156-Y160 WeakPolarHBondContact O-CD2 3.41Å; L156-Y160 PolarHBondContact O-N 2.7Å; G157-Y160 WeakPolarHBondContact O-CB 3.42Å; G157-Y160 PolarHBondContact O-N 3.35Å; I158-Y160 VanDerWaalsContact C-N 3.3Å; I158-Y160 PolarHBondContact O-N 3.37Å; Y160-A163 PolarHBondContact O-N 2.9Å; Y160-I164 WeakPolarHBondContact O-CB 3.24Å; Y160-I164 VanDerWaalsContact O-CG1 3.28Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 3.41Å
161L98.1Very high95.4Very high11 Ų1142.5 Ų42.56%0.05823%0.225CC..Hα-helixtrans-63.8-42.5178.6-67.9170.5000111.7F99 L109 K110 A113 G157 I158 I164 A165 A173F99-L161 HydrophobicContact CE1-CD2 4.17Å; F99-L161 HydrophobicContact CE1-CG 4.21Å; F99-L161 HydrophobicContact CZ-CD1 4.11Å; F99-L161 HydrophobicContact CZ-CD2 4.32Å; F99-L161 HydrophobicContact CZ-CG 4.1Å; L109-L161 HydrophobicContact CB-CD1 3.58Å; K110-L161 HydrophobicContact CG-CD1 3.96Å; K110-L161 HydrophobicContact CG-CD2 3.91Å; K110-L161 HydrophobicContact CG-CG 4.48Å; A113-L161 HydrophobicContact CB-CB 3.82Å; G157-L161 VanDerWaalsContact O-CG 3.3Å; G157-L161 WeakPolarHBondContact O-CG 3.37Å; G157-L161 PolarHBondContact O-N 3.4Å; I158-L161 PolarHBondContact O-N 3.08Å; I158-L161 VanDerWaalsContact O-N 3.13Å; L161-I164 PolarHBondContact O-N 3.33Å; L161-A165 WeakPolarHBondContact O-CB 3.4Å; L161-A165 PolarHBondContact O-N 3.28Å; L161-A173 HydrophobicContact CD2-CB 3.49Å; L161-A173 VanDerWaalsContact CD2-CB 3.49Å
162K97.6Very high95.9Very high14 Ų1446 Ų466%0.06124%0.241CC..Hα-helixtrans-57.7-48.8171.9-69171.563.1-1690110.7D79 A113 I116 N117 E120 Y135 I158 S159 A165 K166D79-K162 VanDerWaalsContact CG-NZ 3.32Å; D79-K162 IonicContact OD1-NZ 2.72Å; D79-K162 PolarHBondContact OD1-NZ 3.2Å; D79-K162 VanDerWaalsContact OD1-NZ 3.08Å; D79-K162 IonicContact OD2-NZ 3.72Å; D79-K162 PolarHBondContact OD2-NZ 3.21Å; A113-K162 HydrophobicContact CB-CG 3.88Å; I116-K162 HydrophobicContact CG2-CD 3.95Å; N117-K162 WeakPolarHBondContact OD1-CE 3.41Å; N117-K162 WeakPolarHBondContact OD1-CG 3.45Å; E120-K162 IonicContact OE1-NZ 3.35Å; E120-K162 PolarHBondContact OE1-NZ 3.44Å; E120-K162 WeakPolarHBondContact OE2-CE 3.47Å; E120-K162 IonicContact OE2-NZ 3.3Å; E120-K162 PolarHBondContact OE2-NZ 2.96Å; Y135-K162 PolarHBondContact OH-NZ 2.9Å; I158-K162 HydrophobicContact CG2-CD 4.12Å; I158-K162 HydrophobicContact CG2-CG 4.42Å; I158-K162 WeakPolarHBondContact O-CG 3.5Å; I158-K162 PolarHBondContact O-N 3.49Å; S159-K162 PolarHBondContact O-N 3.34Å; K162-A165 PolarHBondContact O-N 3.11Å; K162-K166 PolarHBondContact O-N 3.2Å; K162-K166 VanDerWaalsContact O-N 3.16Å
163A97.7Very high96.3Very high7 Ų743.6 Ų43.66%0.05823%0.227CC..Hα-helixtrans-63.4-42.1-179.200000113.2A82 E83 V86 S159 Y160 K166 N167A82-A163 HydrophobicContact CB-CB 4.21Å; E83-A163 HydrophobicContact CB-CB 4.49Å; V86-A163 HydrophobicContact CB-CB 3.98Å; V86-A163 HydrophobicContact CG1-CB 4.4Å; V86-A163 HydrophobicContact CG2-CB 3.74Å; S159-A163 WeakPolarHBondContact O-CB 3.48Å; S159-A163 PolarHBondContact O-N 3.31Å; Y160-A163 PolarHBondContact O-N 2.9Å; A163-K166 PolarHBondContact O-N 2.95Å; A163-N167 WeakPolarHBondContact O-CB 3.36Å; A163-N167 PolarHBondContact O-N 3.15Å; A163-N167 PolarHBondContact O-ND2 2.89Å
164I98.2Very high96.7Very high15 Ų1544.5 Ų44.58%0.07723%0.231CC..Hα-helixtrans-61.7-50.2175.9-73.6163000110.4V86 I97 Y160 L161 K166 N167 A168 I171 A173V86-I164 HydrophobicContact CG1-CG1 3.86Å; V86-I164 HydrophobicContact CG2-CG1 3.86Å; I97-I164 HydrophobicContact CB-CD1 4.38Å; I97-I164 HydrophobicContact CD1-CD1 4.16Å; I97-I164 HydrophobicContact CD1-CG1 4.32Å; Y160-I164 WeakPolarHBondContact O-CB 3.24Å; Y160-I164 VanDerWaalsContact O-CG1 3.28Å; Y160-I164 WeakPolarHBondContact O-CG1 3.3Å; Y160-I164 PolarHBondContact O-N 3.41Å; L161-I164 PolarHBondContact O-N 3.33Å; I164-K166 PolarHBondContact O-N 3.47Å; I164-N167 PolarHBondContact O-N 3.14Å; I164-A168 CarbonylContact O-C 3.36Å; I164-A168 VanDerWaalsContact O-C 3.3Å; I164-A168 PolarHBondContact O-N 3.4Å; I164-I171 HydrophobicContact CD1-CG2 4.37Å; I164-I171 HydrophobicContact CG1-CG2 4.44Å; I164-I171 HydrophobicContact CG2-CB 4.5Å; I164-I171 WeakPolarHBondContact CG2-O 3.47Å; I164-A173 HydrophobicContact CD1-CB 3.94Å
165A96.8Very high96.8Very high57 Ų5744.7 Ų44.747%0.47123%0.233SC..Hα-helixtrans-58.2-35.9-179.200000112.4L161 K162 K169L161-A165 WeakPolarHBondContact O-CB 3.4Å; L161-A165 PolarHBondContact O-N 3.28Å; K162-A165 PolarHBondContact O-N 3.11Å; A165-K169 WeakPolarHBondContact O-CE 3.39Å
166K95.5Very high96.8Very high146 Ų14641.3 Ų41.364%0.63522%0.216SC*.Hα-helixtrans-80.3-43.5-179.7-175.8-179.6177.4-171.10113.4K162 A163 I164K162-K166 PolarHBondContact O-N 3.2Å; K162-K166 VanDerWaalsContact O-N 3.16Å; A163-K166 PolarHBondContact O-N 2.95Å; I164-K166 PolarHBondContact O-N 3.47Å
167N96.1Very high96.5Very high47 Ų4744.7 Ų44.725%0.25123%0.228SC..Hα-helixtrans-118.4-19.8-162.9-57.5-79.6000115.2K87 A163 I164K87-N167 WeakPolarHBondContact CE-OD1 3.47Å; K87-N167 HydrophobicContact CG-CB 4.19Å; A163-N167 WeakPolarHBondContact O-CB 3.36Å; A163-N167 PolarHBondContact O-N 3.15Å; A163-N167 PolarHBondContact O-ND2 2.89Å; I164-N167 PolarHBondContact O-N 3.14Å
168A96.6Very high95.8Very high2 Ų248 Ų482%0.01724%0.241CC..  trans-147.560.5-167.300000111.5V86 D90 I164 N170 I171V86-A168 HydrophobicContact CG1-CB 3.6Å; D90-A168 HydrophobicContact CB-CB 3.93Å; I164-A168 CarbonylContact O-C 3.36Å; I164-A168 VanDerWaalsContact O-C 3.3Å; I164-A168 PolarHBondContact O-N 3.4Å; A168-N170 PolarHBondContact O-N 3.23Å; A168-I171 HydrophobicContact CB-CB 4.32Å; A168-I171 HydrophobicContact CB-CD1 3.59Å; A168-I171 HydrophobicContact CB-CG1 3.8Å; A168-I171 WeakPolarHBondContact O-CB 3.41Å; A168-I171 PolarHBondContact O-N 3.02Å
169K94.3Very high94.6Very high177 Ų17752.4 Ų52.477%0.7726%0.261SS*.THydrogen-bonded Turntrans-61.3-19.2-171.4-63.9-178.7-178.4178.70114.6A165 I171A165-K169 WeakPolarHBondContact O-CE 3.39Å; K169-I171 VanDerWaalsContact C-N 3.35Å
170N95.8Very high92.6Very high146 Ų14657.6 Ų57.678%0.78129%0.289SS*.THydrogen-bonded Turntrans-82.2-14.2177.4-62.8-29.8000112.9A168A168-N170 PolarHBondContact O-N 3.23Å
171I98.5Very high90.4Very high8 Ų857.7 Ų57.74%0.04129%0.291CS..  trans-81.4121.8178.9-59.2-170.3000109.3A89 D90 V94 I97 I164 A168 K169A89-I171 HydrophobicContact CB-CD1 3.92Å; D90-I171 HydrophobicContact CB-CD1 4.04Å; V94-I171 WeakPolarHBondContact O-CG1 3.44Å; I97-I171 HydrophobicContact CB-CG2 4.22Å; I97-I171 HydrophobicContact CD1-CD1 4.34Å; I97-I171 HydrophobicContact CD1-CG2 3.84Å; I97-I171 HydrophobicContact CG1-CG2 3.72Å; I164-I171 HydrophobicContact CD1-CG2 4.37Å; I164-I171 HydrophobicContact CG1-CG2 4.44Å; I164-I171 HydrophobicContact CG2-CB 4.5Å; I164-I171 WeakPolarHBondContact CG2-O 3.47Å; A168-I171 HydrophobicContact CB-CB 4.32Å; A168-I171 HydrophobicContact CB-CD1 3.59Å; A168-I171 HydrophobicContact CB-CG1 3.8Å; A168-I171 WeakPolarHBondContact O-CB 3.41Å; A168-I171 PolarHBondContact O-N 3.02Å; K169-I171 VanDerWaalsContact C-N 3.35Å
172N98.2Very high88.2Confident102 Ų10263.9 Ų63.955%0.54532%0.32SS..EExtended strand (participates in β ladder)trans-75.1153169.4-64.5-72.1000110.5D95 T96 I97D95-N172 PolarHBondContact O-N 3.26Å; D95-N172 PolarHBondContact O-ND2 3.31Å; T96-N172 CarbonylContact C-O 3.48Å; T96-N172 VanDerWaalsContact CA-O 3.23Å; T96-N172 WeakPolarHBondContact CA-O 3.36Å; T96-N172 HydrophobicContact CG2-CB 4.19Å; I97-N172 PolarHBondContact N-O 2.97Å
173A98.2Very high85.9Confident14 Ų1464.8 Ų64.812%0.11632%0.324CS..EExtended strand (participates in β ladder)trans-118.4136.4173.400000109.7I97 F99 I106 L161 I164I97-A173 WeakPolarHBondContact O-CA 3.32Å; F99-A173 HydrophobicContact CE1-CB 4.27Å; I106-A173 VanDerWaalsContact CD1-C 3.46Å; I106-A173 HydrophobicContact CD1-CB 4.02Å; I106-A173 WeakPolarHBondContact CD1-O 3.4Å; L161-A173 HydrophobicContact CD2-CB 3.49Å; L161-A173 VanDerWaalsContact CD2-CB 3.49Å; I164-A173 HydrophobicContact CD1-CB 3.94Å
174I97.4Very high83.7Confident43 Ų4372.4 Ų72.422%0.22136%0.358CS..EExtended strand (participates in β ladder)trans-127.8148.1165.566.4164.3000110L27 T28 T96 I97 A98 F99 I176L27-I174 HydrophobicContact CB-CD1 4.19Å; T28-I174 HydrophobicContact CG2-CD1 3.47Å; T28-I174 VanDerWaalsContact CG2-CD1 3.47Å; T28-I174 HydrophobicContact CG2-CG1 4.26Å; T96-I174 HydrophobicContact CG2-CB 4.48Å; T96-I174 HydrophobicContact CG2-CG1 3.97Å; T96-I174 HydrophobicContact CG2-CG2 4Å; I97-I174 PolarHBondContact O-N 3.13Å; A98-I174 WeakPolarHBondContact CA-O 3.39Å; A98-I174 HydrophobicContact CB-CD1 3.97Å; A98-I174 HydrophobicContact CB-CG1 3.66Å; F99-I174 PolarHBondContact N-O 3.32Å; F99-I174 VanDerWaalsContact N-O 3.14Å; I174-I176 HydrophobicContact CD1-CD1 3.99Å
175S95.7Very high81.8Confident7 Ų773.3 Ų73.35%0.04936%0.363CS..EExtended strand (participates in β ladder)trans-99.5152.4168.157.90000109.9F99 S101 N104F99-S175 CarbonylContact O-C 3.57Å; F99-S175 VanDerWaalsContact O-CA 3.3Å; F99-S175 WeakPolarHBondContact O-CA 3.34Å; S101-S175 WeakPolarHBondContact OG-CB 3.03Å; N104-S175 WeakPolarHBondContact OD1-CB 3.46Å; N104-S175 PolarHBondContact OD1-O 3.04Å; N104-S175 PolarHBondContact OD1-OG 3.01Å
176I93.5Very high80Confident6 Ų674 Ų743%0.03136%0.364CS..EExtended strand (participates in β ladder)trans-121.5130.6171.6-54.3-65000107.5Q23 L27 A98 F99 G100 S101 I174Q23-I176 HydrophobicContact CB-CD1 4.42Å; Q23-I176 HydrophobicContact CB-CG2 4.26Å; L27-I176 HydrophobicContact CD1-CD1 3.46Å; L27-I176 VanDerWaalsContact CD1-CD1 3.46Å; A98-I176 HydrophobicContact CB-CG1 4.44Å; F99-I176 PolarHBondContact O-N 3.24Å; G100-I176 CarbonylContact C-O 3.52Å; G100-I176 WeakPolarHBondContact CA-O 3.33Å; S101-I176 PolarHBondContact N-O 2.8Å; S101-I176 PolarHBondContact OG-O 2.93Å; I174-I176 HydrophobicContact CD1-CD1 3.99Å
177K90.3Very high78.5Confident113 Ų11372.3 Ų72.349%0.49136%0.362SS..EExtended strand (participates in β ladder)trans-65.8134.7173.8-158.7177.5175.11800110S101 N104S101-K177 WeakPolarHBondContact O-CA 3.4Å; N104-K177 HydrophobicContact CB-CB 3.83Å; N104-K177 HydrophobicContact CB-CG 4.28Å
178R81Confident77.1Confident69 Ų6972 Ų7226%0.2636%0.36SS..PPolyproline II helixtrans-75.8131.5168.5-67.8-175.763.994.93.4110.2S101 H183S101-R178 PolarHBondContact O-N 2.79Å; R178-H183 PolarHBondContact NE-NE2 2.94Å; R178-H183 PolarHBondContact NH1-CE1 3.47Å; R178-H183 PolarHBondContact NH1-NE2 2.94Å
179E71.3Confident75.5Confident99 Ų9978.3 Ų78.346%0.46339%0.389SS..PPolyproline II helixtrans-81.9134.4162.1-64.9-63.6154.400108.3Y19 A181 F193Y19-E179 HydrophobicContact CE1-CG 4.17Å; E179-A181 PolarHBondContact O-N 3.3Å; E179-F193 HydrophobicContact CB-CD2 4.25Å; E179-F193 HydrophobicContact CB-CE2 4.1Å
180N56Low73.9Confident117 Ų11774.5 Ų74.563%0.62637%0.374SS*.SBendtrans-59.4127.1-159.8-75.2-30.3000115.5H190N180-H190 PolarHBondContact O-CD2 3.21Å
181A51.6Low72.4Confident12 Ų1275.9 Ų75.910%0.09938%0.375CS..  trans-145.4123.8130.100000103.6E179 H183E179-A181 PolarHBondContact O-N 3.3Å; A181-H183 PolarHBondContact O-N 2.88Å
182Q51.7Low71.2Confident141 Ų14181.9 Ų81.966%0.65940%0.403SS*.  trans-62.8141.5-175.8-67.3-171-21.300108.9H184 D185Q182-H184 PolarHBondContact O-N 3.48Å; Q182-D185 PolarHBondContact N-OD2 3.46Å; Q182-D185 PolarHBondContact O-N 2.88Å; Q182-D185 VanDerWaalsContact O-N 3.15Å
183H50.4Low70.4Confident33 Ų3379.1 Ų79.115%0.15339%0.386CS..THydrogen-bonded Turntrans-60.4-10.3-172.7-83.1-89.2000114.9N153 R178 A181N153-H183 PolarHBondContact ND2-CD2 3.42Å; N153-H183 VanDerWaalsContact ND2-CD2 3.32Å; N153-H183 PolarHBondContact ND2-CE1 3.16Å; N153-H183 PolarHBondContact ND2-NE2 3.37Å; R178-H183 PolarHBondContact NE-NE2 2.94Å; R178-H183 PolarHBondContact NH1-CE1 3.47Å; R178-H183 PolarHBondContact NH1-NE2 2.94Å; A181-H183 PolarHBondContact O-N 2.88Å
184H51.7Low69.6Low166 Ų16678.7 Ų78.777%0.76938%0.383SS*.THydrogen-bonded Turntrans-110.30-175.8-64.4-59.9000114.3Q182 S186Q182-H184 PolarHBondContact O-N 3.48Å; H184-S186 PolarHBondContact O-N 2.83Å; H184-S186 VanDerWaalsContact O-N 3.14Å
185D57.1Low69.1Low34 Ų3476.8 Ų76.818%0.18237%0.373CS..  trans-69.9115.3173.4-62-37000108.4Q182 S195 S198Q182-D185 PolarHBondContact N-OD2 3.46Å; Q182-D185 PolarHBondContact O-N 2.88Å; Q182-D185 VanDerWaalsContact O-N 3.15Å; D185-S195 PolarHBondContact O-OG 3.49Å; D185-S198 WeakPolarHBondContact O-CB 3.27Å
186S58.2Low68.8Low71 Ų7177.2 Ų77.250%0.49738%0.379SS..SBendtrans-77-12.1172.852.50000112.4H184H184-S186 PolarHBondContact O-N 2.83Å; H184-S186 VanDerWaalsContact O-N 3.14Å
187L65.9Low68.6Low112 Ų11279.3 Ų79.359%0.58639%0.392SS*.SBendtrans-114.5144.6-177.9-63.5172.9000110.4Q189L187-Q189 PolarHBondContact O-N 2.8Å; L187-Q189 VanDerWaalsContact O-N 3.13Å
188I66.8Low68.6Low40 Ų4074 Ų7421%0.20537%0.369CS..  trans-75.5100.3172.6-63.1171.5000107.7A194 H209 W210 V213I188-A194 HydrophobicContact CG1-CB 4Å; I188-A194 HydrophobicContact CG2-CB 4.34Å; I188-H209 HydrophobicContact CD1-CB 3.93Å; I188-W210 HydrophobicContact CD1-CB 4.39Å; I188-V213 HydrophobicContact CD1-CG2 3.81Å; I188-V213 HydrophobicContact CG1-CG2 4.48Å; I188-V213 HydrophobicContact CG2-CG1 3.75Å
189Q61Low69.2Low134 Ų13470.7 Ų70.763%0.62636%0.357SS*.  trans-93.2-26.4179.7-64.8-179.71.700113.1L187L187-Q189 PolarHBondContact O-N 2.8Å; L187-Q189 VanDerWaalsContact O-N 3.13Å
190H61.5Low70.4Confident97 Ų9767.3 Ų67.345%0.44934%0.339SS..SBendtrans-104.8144.4-177.9-81.4-64.3000112.3N180 Q192 F193N180-H190 PolarHBondContact O-CD2 3.21Å; H190-Q192 VanDerWaalsContact C-N 3.33Å; H190-Q192 PolarHBondContact O-N 2.86Å; H190-F193 WeakPolarHBondContact CB-O 3.39Å
191H65.2Low72.1Confident176 Ų17664.7 Ų64.782%0.81533%0.328SS*.SBendtrans-67.9-23.5-176.3-69.6-61.6000115.3
192Q73.3Confident74.2Confident134 Ų13464.3 Ų64.363%0.62633%0.325SS*.SBendtrans-122.1-27-173.4-70.3-173-1500114.7N15 H190N15-Q192 VanDerWaalsContact CB-O 3.24Å; N15-Q192 WeakPolarHBondContact CB-O 3.42Å; N15-Q192 PolarHBondContact ND2-O 3.48Å; H190-Q192 VanDerWaalsContact C-N 3.33Å; H190-Q192 PolarHBondContact O-N 2.86Å
193F79.7Confident76.2Confident43 Ų4358.2 Ų58.219%0.18930%0.296CS..  trans-126.8138.7-176.2-62.5-63.8000111N15 Y19 E179 H190N15-F193 HydrophobicContact CB-CD1 4.1Å; N15-F193 HydrophobicContact CB-CE1 4.15Å; Y19-F193 HydrophobicContact CD2-CZ 4.42Å; Y19-F193 HydrophobicContact CG-CE1 4.48Å; Y19-F193 HydrophobicContact CG-CZ 4.35Å; E179-F193 HydrophobicContact CB-CD2 4.25Å; E179-F193 HydrophobicContact CB-CE2 4.1Å; H190-F193 WeakPolarHBondContact CB-O 3.39Å
194A83.2Confident78.3Confident5 Ų560.9 Ų60.94%0.04131%0.311CS..  trans-145.4162.1175.800000110.2I188 I199 V213I188-A194 HydrophobicContact CG1-CB 4Å; I188-A194 HydrophobicContact CG2-CB 4.34Å; A194-I199 HydrophobicContact CB-CD1 4.18Å; A194-I199 HydrophobicContact CB-CG1 3.97Å; A194-V213 HydrophobicContact CB-CB 3.79Å; A194-V213 HydrophobicContact CB-CG1 3.87Å; A194-V213 HydrophobicContact CB-CG2 3.73Å
195S85.5Confident80.2Confident4 Ų456.5 Ų56.53%0.02830%0.299CS..  trans-73.7152.8172.780.20000110.2D185 T197 S198 I199D185-S195 PolarHBondContact O-OG 3.49Å; S195-T197 PolarHBondContact O-N 3.13Å; S195-T197 PolarHBondContact OG-N 3.16Å; S195-S198 PolarHBondContact N-OG 3.21Å; S195-S198 PolarHBondContact O-N 2.83Å; S195-S198 PolarHBondContact O-OG 2.82Å; S195-S198 PolarHBondContact OG-N 2.59Å; S195-S198 PolarHBondContact OG-OG 3.48Å; S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 2.9Å; S195-I199 VanDerWaalsContact O-N 3.15Å
196G89.2Confident81.8Confident15 Ų1563.2 Ų63.216%0.15533%0.329CS..Hα-helixtrans-57.2-33.5171.300000111.9R200G196-R200 VanDerWaalsContact O-CG 3.32Å; G196-R200 WeakPolarHBondContact O-CG 3.47Å; G196-R200 PolarHBondContact O-N 3.24Å
197T90.2Very high83.3Confident50 Ų5062.6 Ų62.631%0.30732%0.32SS..Hα-helixtrans-63.3-52.3177-52.40000111.9S195 I199 R200 T201S195-T197 PolarHBondContact O-N 3.13Å; S195-T197 PolarHBondContact OG-N 3.16Å; T197-I199 VanDerWaalsContact C-N 3.27Å; T197-I199 PolarHBondContact O-N 2.95Å; T197-R200 PolarHBondContact O-N 3.15Å; T197-T201 PolarHBondContact O-N 3.21Å; T197-T201 PolarHBondContact O-OG1 2.97Å
198S90.7Very high84.3Confident2 Ų262.4 Ų62.41%0.01432%0.32CS..Hα-helixtrans-63.5-34.7-179.656.80000112.2D185 S195 T201 S202D185-S198 WeakPolarHBondContact O-CB 3.27Å; S195-S198 PolarHBondContact N-OG 3.21Å; S195-S198 PolarHBondContact O-N 2.83Å; S195-S198 PolarHBondContact O-OG 2.82Å; S195-S198 PolarHBondContact OG-N 2.59Å; S195-S198 PolarHBondContact OG-OG 3.48Å; S198-T201 PolarHBondContact O-N 3.06Å; S198-S202 VanDerWaalsContact O-CB 3.32Å; S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 2.89Å
199I93.9Very high85.4Confident0 Ų065.3 Ų65.30%033%0.332CS..Hα-helixtrans-63.8-47.9174.2-68171.2000110.6P12 H14 A194 S195 T197 T201 S202 I203 W210 V213 V214 Y222P12-I199 HydrophobicContact CG-CG2 3.63Å; H14-I199 HydrophobicContact CB-CD1 3.33Å; A194-I199 HydrophobicContact CB-CD1 4.18Å; A194-I199 HydrophobicContact CB-CG1 3.97Å; S195-I199 WeakPolarHBondContact O-CG1 3.39Å; S195-I199 PolarHBondContact O-N 2.9Å; S195-I199 VanDerWaalsContact O-N 3.15Å; T197-I199 VanDerWaalsContact C-N 3.27Å; T197-I199 PolarHBondContact O-N 2.95Å; I199-T201 VanDerWaalsContact C-N 3.32Å; I199-T201 PolarHBondContact O-N 3.14Å; I199-S202 PolarHBondContact O-N 3.36Å; I199-I203 HydrophobicContact CG2-CD1 3.76Å; I199-I203 VanDerWaalsContact O-CG1 3.28Å; I199-I203 WeakPolarHBondContact O-CG1 3.39Å; I199-I203 PolarHBondContact O-N 3.23Å; I199-W210 HydrophobicContact CG2-CB 4.23Å; I199-V213 HydrophobicContact CD1-CB 4.5Å; I199-V213 HydrophobicContact CD1-CG2 3.78Å; I199-V213 HydrophobicContact CG1-CG2 3.63Å; I199-V214 HydrophobicContact CD1-CG1 4.2Å; I199-V214 HydrophobicContact CG2-CG1 4.46Å; I199-Y222 HydrophobicContact CG2-CE1 4.46Å
200R95Very high87Confident27 Ų2760 Ų6010%0.10231%0.306CS..Hα-helixtrans-61.8-41.4176.2-69-170-50.4-97.511.8111.7N11 E46 I49 G196 T197 I203 I204N11-R200 PolarHBondContact O-NH1 3.12Å; E46-R200 IonicContact OE1-CZ 3.85Å; E46-R200 VanDerWaalsContact OE1-CZ 3.29Å; E46-R200 IonicContact OE1-NE 3.04Å; E46-R200 IonicContact OE1-NH1 3.95Å; E46-R200 IonicContact OE1-NH2 3.43Å; E46-R200 PolarHBondContact OE1-NH2 2.89Å; E46-R200 IonicContact OE2-NH2 3.82Å; I49-R200 HydrophobicContact CB-CG 4.21Å; I49-R200 HydrophobicContact CD1-CB 4.08Å; I49-R200 HydrophobicContact CD1-CG 3.82Å; I49-R200 HydrophobicContact CG2-CG 4.16Å; G196-R200 VanDerWaalsContact O-CG 3.32Å; G196-R200 WeakPolarHBondContact O-CG 3.47Å; G196-R200 PolarHBondContact O-N 3.24Å; T197-R200 PolarHBondContact O-N 3.15Å; R200-I203 PolarHBondContact O-N 3.25Å; R200-I204 WeakPolarHBondContact O-CB 3.34Å; R200-I204 WeakPolarHBondContact O-CD1 3.28Å; R200-I204 WeakPolarHBondContact O-CG1 3.42Å; R200-I204 PolarHBondContact O-N 3Å
201T93.4Very high88.4Confident62 Ų6258.1 Ų58.138%0.3830%0.298SS..Hα-helixtrans-58.2-51.5175.5-64.20000110.9T197 S198 I199 I203 I204 S205T197-T201 PolarHBondContact O-N 3.21Å; T197-T201 PolarHBondContact O-OG1 2.97Å; S198-T201 PolarHBondContact O-N 3.06Å; I199-T201 VanDerWaalsContact C-N 3.32Å; I199-T201 PolarHBondContact O-N 3.14Å; T201-I203 PolarHBondContact O-N 3.2Å; T201-I204 PolarHBondContact O-N 2.98Å; T201-S205 WeakPolarHBondContact O-CB 3.5Å; T201-S205 PolarHBondContact O-N 3.49Å; T201-S205 PolarHBondContact O-OG 3.36Å
202S94.4Very high89.7Confident5 Ų556 Ų564%0.03529%0.288CS..Hα-helixtrans-55.5-47.3177.3-178.30000111.9S198 I199 I204 S205 Q206 D207 W210S198-S202 VanDerWaalsContact O-CB 3.32Å; S198-S202 WeakPolarHBondContact O-CB 3.29Å; S198-S202 PolarHBondContact O-N 2.89Å; I199-S202 PolarHBondContact O-N 3.36Å; S202-I204 PolarHBondContact O-N 3.39Å; S202-S205 PolarHBondContact O-N 2.85Å; S202-S205 PolarHBondContact O-OG 3.06Å; S202-Q206 PolarHBondContact O-N 3.32Å; S202-D207 CarbonylContact C-O 3.55Å; S202-D207 PolarHBondContact O-N 2.82Å; S202-D207 VanDerWaalsContact O-O 3.1Å; S202-D207 PolarHBondContact OG-O 3.34Å; S202-W210 PolarHBondContact OG-N 3.22Å
203I95Very high90.6Very high12 Ų1249.6 Ų49.66%0.06226%0.258CS..Hα-helixtrans-61.8-46.1177.3-67.8163.7000111.7P12 I49 I199 R200 T201 Q206 W210 Y222 H226P12-I203 HydrophobicContact CG-CD1 4.43Å; I49-I203 HydrophobicContact CD1-CB 4.4Å; I49-I203 HydrophobicContact CD1-CD1 4.35Å; I49-I203 HydrophobicContact CD1-CG2 4.11Å; I199-I203 HydrophobicContact CG2-CD1 3.76Å; I199-I203 VanDerWaalsContact O-CG1 3.28Å; I199-I203 WeakPolarHBondContact O-CG1 3.39Å; I199-I203 PolarHBondContact O-N 3.23Å; R200-I203 PolarHBondContact O-N 3.25Å; T201-I203 PolarHBondContact O-N 3.2Å; I203-Q206 PolarHBondContact O-N 3.03Å; I203-W210 HydrophobicContact CG1-CB 4.18Å; I203-W210 HydrophobicContact CG1-CD2 4.11Å; I203-W210 HydrophobicContact CG1-CG 3.75Å; I203-Y222 HydrophobicContact CD1-CD1 3.75Å; I203-Y222 HydrophobicContact CD1-CE1 4.05Å; I203-H226 WeakPolarHBondContact CG2-CE1 3.33Å; I203-H226 WeakPolarHBondContact CG2-ND1 3.49Å
204I92.9Very high91.4Very high90 Ų9047.7 Ų47.746%0.46225%0.25SC..Hα-helixtrans-68.9-36.8-176.9-68.6163.2000111.1I49 R200 T201 S202 Q206 T228I49-I204 HydrophobicContact CD1-CG1 4.48Å; R200-I204 WeakPolarHBondContact O-CB 3.34Å; R200-I204 WeakPolarHBondContact O-CD1 3.28Å; R200-I204 WeakPolarHBondContact O-CG1 3.42Å; R200-I204 PolarHBondContact O-N 3Å; T201-I204 PolarHBondContact O-N 2.98Å; S202-I204 PolarHBondContact O-N 3.39Å; I204-Q206 PolarHBondContact O-N 3.22Å; I204-T228 HydrophobicContact CD1-CG2 3.67Å; I204-T228 HydrophobicContact CG1-CG2 3.98Å
205S92.6Very high92Very high73 Ų7347.7 Ų47.751%0.5125%0.249SC..THydrogen-bonded Turntrans-80.13.9177.164.60000113.8T201 S202 D207T201-S205 WeakPolarHBondContact O-CB 3.5Å; T201-S205 PolarHBondContact O-N 3.49Å; T201-S205 PolarHBondContact O-OG 3.36Å; S202-S205 PolarHBondContact O-N 2.85Å; S202-S205 PolarHBondContact O-OG 3.06Å; S205-D207 PolarHBondContact O-N 2.76Å; S205-D207 WeakPolarHBondContact OG-CB 3.47Å
206Q90.1Very high92.5Very high175 Ų17556.2 Ų56.282%0.81829%0.286SS*.THydrogen-bonded Turntrans55.334-174.7-55.7179.8-1.400112.6S202 I203 I204S202-Q206 PolarHBondContact O-N 3.32Å; I203-Q206 PolarHBondContact O-N 3.03Å; I204-Q206 PolarHBondContact O-N 3.22Å
207D89.6Confident92.7Very high58 Ų5859.9 Ų59.931%0.3130%0.302SS..  trans-95.1121.8174.2179.114.9000109.2S202 S205 H209S202-D207 CarbonylContact C-O 3.55Å; S202-D207 PolarHBondContact O-N 2.82Å; S202-D207 VanDerWaalsContact O-O 3.1Å; S202-D207 PolarHBondContact OG-O 3.34Å; S205-D207 PolarHBondContact O-N 2.76Å; S205-D207 WeakPolarHBondContact OG-CB 3.47Å; D207-H209 VanDerWaalsContact C-N 3.27Å; D207-H209 PolarHBondContact O-N 2.88Å; D207-H209 IonicContact OD1-CE1 3.5Å; D207-H209 PolarHBondContact OD1-CE1 3.22Å; D207-H209 IonicContact OD1-CG 2.7Å; D207-H209 PolarHBondContact OD1-N 3.3Å; D207-H209 IonicContact OD1-ND1 3.63Å; D207-H209 PolarHBondContact OD1-ND1 3.17Å; D207-H209 IonicContact OD2-CG 2.65Å; D207-H209 IonicContact OD2-ND1 3.48Å; D207-H209 PolarHBondContact OD2-ND1 3.34Å
208D87.7Confident93Very high108 Ų10857.8 Ų57.858%0.57829%0.289SS*.G310 helixtrans-77.9-0.5-171.4-77.9-30.7000115.1W210 H211D208-W210 PolarHBondContact O-N 3.04Å; D208-H211 PolarHBondContact O-N 3.31Å; D208-H211 PolarHBondContact O-ND1 3.42Å; D208-H211 IonicContact OD1-CE1 2.74Å; D208-H211 PolarHBondContact OD1-CE1 3.42Å; D208-H211 IonicContact OD1-ND1 3.39Å
209H89.8Confident93.3Very high102 Ų10260 Ų6047%0.47230%0.299SS..G310 helixtrans-57.7-23179.6-72.595.4000114.1I188 D207 H211 H212I188-H209 HydrophobicContact CD1-CB 3.93Å; D207-H209 VanDerWaalsContact C-N 3.27Å; D207-H209 PolarHBondContact O-N 2.88Å; D207-H209 IonicContact OD1-CE1 3.5Å; D207-H209 PolarHBondContact OD1-CE1 3.22Å; D207-H209 IonicContact OD1-CG 2.7Å; D207-H209 PolarHBondContact OD1-N 3.3Å; D207-H209 IonicContact OD1-ND1 3.63Å; D207-H209 PolarHBondContact OD1-ND1 3.17Å; D207-H209 IonicContact OD2-CG 2.65Å; D207-H209 IonicContact OD2-ND1 3.48Å; D207-H209 PolarHBondContact OD2-ND1 3.34Å; H209-H211 PolarHBondContact O-N 3.24Å; H209-H212 PolarHBondContact O-N 3.02Å
210W93.4Very high93.4Very high22 Ų2265.9 Ų65.98%0.08333%0.326CS..G310 helixtrans-58.6-27.9178.767.8-95.9000113.9I188 I199 S202 I203 D208 H212 V213 V214 Q219 Y222I188-W210 HydrophobicContact CD1-CB 4.39Å; I199-W210 HydrophobicContact CG2-CB 4.23Å; S202-W210 PolarHBondContact OG-N 3.22Å; I203-W210 HydrophobicContact CG1-CB 4.18Å; I203-W210 HydrophobicContact CG1-CD2 4.11Å; I203-W210 HydrophobicContact CG1-CG 3.75Å; D208-W210 PolarHBondContact O-N 3.04Å; W210-H212 PolarHBondContact O-N 3.32Å; W210-V213 VanDerWaalsContact O-CG2 3.24Å; W210-V213 WeakPolarHBondContact O-CG2 3.42Å; W210-V213 PolarHBondContact O-N 2.77Å; W210-V214 HydrophobicContact CE3-CG1 4.4Å; W210-V214 HydrophobicContact CE3-CG2 3.74Å; W210-V214 HydrophobicContact CZ3-CG2 3.78Å; W210-Q219 HydrophobicContact CZ3-CB 4.39Å; W210-Q219 HydrophobicContact CZ3-CG 4.14Å; W210-Y222 AromaticContact CE3-CD1 3.87Å; W210-Y222 HydrophobicContact CE3-CD1 3.87Å; W210-Y222 HydrophobicContact CE3-CE1 4.32Å; W210-Y222 HydrophobicContact CE3-CG 4.19Å; W210-Y222 VanDerWaalsContact CH2-CB 3.42Å; W210-Y222 HydrophobicContact CH2-CD1 4.33Å; W210-Y222 AromaticContact CH2-CG 3.96Å; W210-Y222 HydrophobicContact CH2-CG 3.96Å; W210-Y222 AromaticContact CZ3-CD1 3.72Å; W210-Y222 HydrophobicContact CZ3-CD1 3.72Å; W210-Y222 HydrophobicContact CZ3-CD2 4.13Å; W210-Y222 HydrophobicContact CZ3-CE1 4.41Å; W210-Y222 AromaticContact CZ3-CG 3.55Å; W210-Y222 HydrophobicContact CZ3-CG 3.55Å
211H92.7Very high93.5Very high58 Ų5865.4 Ų65.427%0.26933%0.326SS..G310 helixtrans-58.9-31.6-178.8-67.392.5000112.6D208 H209 V213 Q219D208-H211 PolarHBondContact O-N 3.31Å; D208-H211 PolarHBondContact O-ND1 3.42Å; D208-H211 IonicContact OD1-CE1 2.74Å; D208-H211 PolarHBondContact OD1-CE1 3.42Å; D208-H211 IonicContact OD1-ND1 3.39Å; H209-H211 PolarHBondContact O-N 3.24Å; H211-V213 VanDerWaalsContact C-N 3.3Å; H211-V213 PolarHBondContact O-N 3.46Å; H211-Q219 PolarHBondContact O-NE2 2.98Å
212H91.2Very high93.6Very high130 Ų13063 Ų6360%0.60231%0.31SS*.G310 helixtrans-75.7-18.9-176.2-60.8-58.7000113.7N15 H209 W210N15-H212 PolarHBondContact ND2-O 3.34Å; H209-H212 PolarHBondContact O-N 3.02Å; W210-H212 PolarHBondContact O-N 3.32Å
213V93.5Very high93.6Very high0 Ų067.1 Ų67.10%033%0.334CS..G310 helixtrans-112.310.1-171.2-62.80000113.1H14 N15 I188 A194 I199 W210 H211H14-V213 WeakPolarHBondContact CB-O 3.41Å; N15-V213 WeakPolarHBondContact CB-O 3.39Å; N15-V213 VanDerWaalsContact CG-C 3.49Å; N15-V213 PolarHBondContact N-O 2.94Å; N15-V213 VanDerWaalsContact ND2-C 3.28Å; N15-V213 WeakPolarHBondContact ND2-CA 3.23Å; I188-V213 HydrophobicContact CD1-CG2 3.81Å; I188-V213 HydrophobicContact CG1-CG2 4.48Å; I188-V213 HydrophobicContact CG2-CG1 3.75Å; A194-V213 HydrophobicContact CB-CB 3.79Å; A194-V213 HydrophobicContact CB-CG1 3.87Å; A194-V213 HydrophobicContact CB-CG2 3.73Å; I199-V213 HydrophobicContact CD1-CB 4.5Å; I199-V213 HydrophobicContact CD1-CG2 3.78Å; I199-V213 HydrophobicContact CG1-CG2 3.63Å; W210-V213 VanDerWaalsContact O-CG2 3.24Å; W210-V213 WeakPolarHBondContact O-CG2 3.42Å; W210-V213 PolarHBondContact O-N 2.77Å; H211-V213 VanDerWaalsContact C-N 3.3Å; H211-V213 PolarHBondContact O-N 3.46Å
214V95.7Very high93.5Very high3 Ų371.7 Ų71.72%0.01836%0.363CS..SBendtrans-125.2152174.1-53.80000111.2H14 N15 I199 W210 K216 Q219 Y222H14-V214 HydrophobicContact CB-CG1 4.14Å; N15-V214 WeakPolarHBondContact OD1-CA 3.02Å; N15-V214 PolarHBondContact OD1-O 3.35Å; I199-V214 HydrophobicContact CD1-CG1 4.2Å; I199-V214 HydrophobicContact CG2-CG1 4.46Å; W210-V214 HydrophobicContact CE3-CG1 4.4Å; W210-V214 HydrophobicContact CE3-CG2 3.74Å; W210-V214 HydrophobicContact CZ3-CG2 3.78Å; V214-K216 PolarHBondContact O-N 3.03Å; V214-Q219 HydrophobicContact CG2-CG 3.6Å; V214-Y222 HydrophobicContact CB-CE2 4.37Å; V214-Y222 HydrophobicContact CG1-CE1 3.96Å; V214-Y222 HydrophobicContact CG1-CE2 4.49Å; V214-Y222 WeakPolarHBondContact CG1-OH 3.47Å; V214-Y222 HydrophobicContact CG2-CE2 4.42Å
215P95.7Very high93.6Very high5 Ų569.7 Ų69.73%0.03236%0.356CS..  trans-63.2133-179.9-2131.3000111.9F13 N15 Q18 D217 I218 Q219F13-P215 HydrophobicContact CD1-CG 4.32Å; F13-P215 HydrophobicContact CE1-CG 4.1Å; N15-P215 VanDerWaalsContact OD1-CD 3.3Å; N15-P215 WeakPolarHBondContact OD1-CD 3.36Å; Q18-P215 HydrophobicContact CB-CG 4.33Å; P215-D217 VanDerWaalsContact C-N 3.28Å; P215-D217 VanDerWaalsContact CB-OD1 3.27Å; P215-D217 WeakPolarHBondContact CB-OD1 3.17Å; P215-D217 PolarHBondContact O-N 2.64Å; P215-I218 HydrophobicContact CB-CD1 4.47Å; P215-I218 HydrophobicContact CB-CG1 4.1Å; P215-I218 HydrophobicContact CG-CD1 4.23Å; P215-I218 HydrophobicContact CG-CG1 4.38Å; P215-I218 VanDerWaalsContact O-CG1 3.29Å; P215-I218 WeakPolarHBondContact O-CG1 3.36Å; P215-I218 PolarHBondContact O-N 3.42Å; P215-Q219 PolarHBondContact O-N 3.24Å
216K95.1Very high93.7Very high184 Ų18468 Ų6880%0.834%0.34SS*.G310 helixtrans-58.7-38-173.5-68.2-173.2177.8-1770113.3V214 I218 Q219V214-K216 PolarHBondContact O-N 3.03Å; K216-I218 PolarHBondContact O-N 2.54Å; K216-Q219 PolarHBondContact O-N 3.48Å
217D94.8Very high94Very high91 Ų9160 Ų6049%0.48730%0.302SS..G310 helixtrans-67.5-19.2-17662.2-45.9000113.6P215 H220P215-D217 VanDerWaalsContact C-N 3.28Å; P215-D217 VanDerWaalsContact CB-OD1 3.27Å; P215-D217 WeakPolarHBondContact CB-OD1 3.17Å; P215-D217 PolarHBondContact O-N 2.64Å; D217-H220 PolarHBondContact O-CE1 3.32Å; D217-H220 PolarHBondContact O-ND1 3.41Å
218I96.4Very high94.3Very high6 Ų658.7 Ų58.73%0.03130%0.297CS..G310 helixtrans-109.7-0.2178.266.5167.4000114.6F13 M58 S61 P215 K216 H220 L221 Y222F13-I218 HydrophobicContact CB-CD1 4.34Å; F13-I218 HydrophobicContact CD1-CD1 3.63Å; F13-I218 HydrophobicContact CE1-CD1 4.46Å; F13-I218 HydrophobicContact CG-CD1 4.41Å; M58-I218 HydrophobicContact CB-CD1 3.97Å; M58-I218 HydrophobicContact CG-CD1 4.23Å; S61-I218 VanDerWaalsContact CB-CG2 3.45Å; P215-I218 HydrophobicContact CB-CD1 4.47Å; P215-I218 HydrophobicContact CB-CG1 4.1Å; P215-I218 HydrophobicContact CG-CD1 4.23Å; P215-I218 HydrophobicContact CG-CG1 4.38Å; P215-I218 VanDerWaalsContact O-CG1 3.29Å; P215-I218 WeakPolarHBondContact O-CG1 3.36Å; P215-I218 PolarHBondContact O-N 3.42Å; K216-I218 PolarHBondContact O-N 2.54Å; I218-H220 PolarHBondContact O-N 2.9Å; I218-H220 VanDerWaalsContact O-N 3.16Å; I218-L221 HydrophobicContact CB-CD1 4.19Å; I218-L221 HydrophobicContact CG2-CD1 4.41Å; I218-L221 VanDerWaalsContact O-CB 3.31Å; I218-L221 WeakPolarHBondContact O-CB 3.49Å; I218-L221 PolarHBondContact O-N 3.41Å; I218-Y222 HydrophobicContact CD1-CE2 4.1Å; I218-Y222 HydrophobicContact CG1-CE2 4.22Å
219Q96.4Very high94.7Very high49 Ų4954.4 Ų54.423%0.22927%0.274CS..G310 helixtrans-56.4-33.8-178.5-75.51778.400112.5W210 H211 V214 P215 K216 L221 Y222W210-Q219 HydrophobicContact CZ3-CB 4.39Å; W210-Q219 HydrophobicContact CZ3-CG 4.14Å; H211-Q219 PolarHBondContact O-NE2 2.98Å; V214-Q219 HydrophobicContact CG2-CG 3.6Å; P215-Q219 PolarHBondContact O-N 3.24Å; K216-Q219 PolarHBondContact O-N 3.48Å; Q219-L221 PolarHBondContact O-N 3.22Å; Q219-Y222 WeakPolarHBondContact O-CB 3.44Å; Q219-Y222 PolarHBondContact O-N 3.27Å
220H96.3Very high95Very high123 Ų12354.6 Ų54.657%0.56928%0.278SS*.G310 helixtrans-61.8-12175.671.4-84.2000114.5D217 I218D217-H220 PolarHBondContact O-CE1 3.32Å; D217-H220 PolarHBondContact O-ND1 3.41Å; I218-H220 PolarHBondContact O-N 2.9Å; I218-H220 VanDerWaalsContact O-N 3.16Å
221L97Very high95.2Very high18 Ų1856.9 Ų56.99%0.09429%0.29CS..G310 helixtrans-89.5-9.4175.1-56.4178.4000113.1K57 M58 I218 Q219 V223K57-L221 HydrophobicContact CB-CD1 4.26Å; K57-L221 HydrophobicContact CD-CD1 4.01Å; K57-L221 HydrophobicContact CD-CD2 3.81Å; K57-L221 HydrophobicContact CG-CD1 3.85Å; M58-L221 HydrophobicContact CE-CB 3.7Å; M58-L221 WeakPolarHBondContact CE-O 3.42Å; M58-L221 HydrophobicContact CG-CB 4.09Å; M58-L221 HydrophobicContact CG-CD1 3.79Å; I218-L221 HydrophobicContact CB-CD1 4.19Å; I218-L221 HydrophobicContact CG2-CD1 4.41Å; I218-L221 VanDerWaalsContact O-CB 3.31Å; I218-L221 WeakPolarHBondContact O-CB 3.49Å; I218-L221 PolarHBondContact O-N 3.41Å; Q219-L221 PolarHBondContact O-N 3.22Å; L221-V223 PolarHBondContact O-N 3.16Å
222Y96.4Very high95.4Very high12 Ų1254.1 Ų54.15%0.04728%0.277CS..  trans-84.852.6-177.9-79.5-109.3000112P12 F13 Y50 M58 I199 I203 W210 V214 I218 Q219P12-Y222 HydrophobicContact CB-CE1 3.74Å; P12-Y222 HydrophobicContact CG-CE1 3.51Å; F13-Y222 VanDerWaalsContact C-OH 3.28Å; F13-Y222 PolarHBondContact N-OH 3.1Å; F13-Y222 PolarHBondContact O-OH 2.88Å; Y50-Y222 AromaticContact CE2-CD1 3.94Å; Y50-Y222 HydrophobicContact CE2-CD1 3.94Å; Y50-Y222 HydrophobicContact CE2-CE1 4.22Å; Y50-Y222 HydrophobicContact CE2-CG 4.39Å; Y50-Y222 VanDerWaalsContact OH-CA 3.29Å; Y50-Y222 WeakPolarHBondContact OH-CA 3.41Å; M58-Y222 HydrophobicContact CE-CD2 3.7Å; M58-Y222 HydrophobicContact CE-CE2 3.74Å; M58-Y222 HydrophobicContact CE-CG 4.17Å; M58-Y222 HydrophobicContact SD-CE2 4.14Å; I199-Y222 HydrophobicContact CG2-CE1 4.46Å; I203-Y222 HydrophobicContact CD1-CD1 3.75Å; I203-Y222 HydrophobicContact CD1-CE1 4.05Å; W210-Y222 AromaticContact CE3-CD1 3.87Å; W210-Y222 HydrophobicContact CE3-CD1 3.87Å; W210-Y222 HydrophobicContact CE3-CE1 4.32Å; W210-Y222 HydrophobicContact CE3-CG 4.19Å; W210-Y222 VanDerWaalsContact CH2-CB 3.42Å; W210-Y222 HydrophobicContact CH2-CD1 4.33Å; W210-Y222 AromaticContact CH2-CG 3.96Å; W210-Y222 HydrophobicContact CH2-CG 3.96Å; W210-Y222 AromaticContact CZ3-CD1 3.72Å; W210-Y222 HydrophobicContact CZ3-CD1 3.72Å; W210-Y222 HydrophobicContact CZ3-CD2 4.13Å; W210-Y222 HydrophobicContact CZ3-CE1 4.41Å; W210-Y222 AromaticContact CZ3-CG 3.55Å; W210-Y222 HydrophobicContact CZ3-CG 3.55Å; V214-Y222 HydrophobicContact CB-CE2 4.37Å; V214-Y222 HydrophobicContact CG1-CE1 3.96Å; V214-Y222 HydrophobicContact CG1-CE2 4.49Å; V214-Y222 WeakPolarHBondContact CG1-OH 3.47Å; V214-Y222 HydrophobicContact CG2-CE2 4.42Å; I218-Y222 HydrophobicContact CD1-CE2 4.1Å; I218-Y222 HydrophobicContact CG1-CE2 4.22Å; Q219-Y222 WeakPolarHBondContact O-CB 3.44Å; Q219-Y222 PolarHBondContact O-N 3.27Å
223V94.2Very high95.7Very high90 Ų9048.5 Ų48.555%0.54525%0.251SS..  trans-113.1156-174.1-62.20000111.6Y50 L221Y50-V223 VanDerWaalsContact CE1-O 3.29Å; Y50-V223 WeakPolarHBondContact CE1-O 3.45Å; L221-V223 PolarHBondContact O-N 3.16Å
224T93.1Very high95.9Very high109 Ų10952.2 Ų52.267%0.66928%0.275SS*.SBendtrans-58.3156.4174.553.20000112
225P94.6Very high96.1Very high48 Ų4857.3 Ų57.331%0.31230%0.295SS..PPolyproline II helixcis-77.4137.11.531.3-34.5000113.2Q365P225-Q365 HydrophobicContact CG-CG 3.49Å; P225-Q365 VanDerWaalsContact CG-CG 3.49Å
226H94.9Very high96.2Very high38 Ų3857.1 Ų57.118%0.17629%0.293CS..PPolyproline II helixtrans-92138.7164.7-53.8134.4000108.5I49 Y50 I203 Q231I49-H226 HydrophobicContact CD1-CB 4.35Å; I49-H226 HydrophobicContact CG1-CB 3.97Å; Y50-H226 AromaticContact CE1-CD2 3.25Å; Y50-H226 WeakPolarHBondContact CE1-CD2 3.49Å; Y50-H226 AromaticContact CE1-NE2 3.54Å; Y50-H226 AromaticContact CZ-CD2 3.59Å; Y50-H226 AromaticContact CZ-NE2 3.66Å; Y50-H226 PolarHBondContact OH-CD2 3.17Å; Y50-H226 PolarHBondContact OH-NE2 3.35Å; I203-H226 WeakPolarHBondContact CG2-CE1 3.33Å; I203-H226 WeakPolarHBondContact CG2-ND1 3.49Å; H226-Q231 PolarHBondContact O-NE2 3.17Å; H226-Q231 PolarHBondContact O-OE1 3.45Å
227I96Very high96.3Very high5 Ų551.1 Ų51.13%0.02627%0.267CS..PPolyproline II helixtrans-103.9141.8172.3-158170.8000110.8P47 A48 I49 I232 Y359 I362P47-I227 HydrophobicContact CB-CD1 4.3Å; P47-I227 HydrophobicContact CB-CG2 3.68Å; P47-I227 HydrophobicContact CG-CG1 4.45Å; P47-I227 HydrophobicContact CG-CG2 3.87Å; A48-I227 WeakPolarHBondContact O-CG2 3.5Å; I49-I227 PolarHBondContact O-N 3.15Å; I49-I227 VanDerWaalsContact O-N 3.11Å; I227-I232 HydrophobicContact CD1-CD1 4.23Å; I227-I232 HydrophobicContact CD1-CG1 4.19Å; I227-I232 HydrophobicContact CG1-CG1 4.42Å; I227-Y359 HydrophobicContact CB-CE2 4.36Å; I227-Y359 HydrophobicContact CD1-CD2 3.94Å; I227-Y359 HydrophobicContact CD1-CE1 4.42Å; I227-Y359 HydrophobicContact CD1-CE2 3.83Å; I227-Y359 HydrophobicContact CD1-CG 4.37Å; I227-Y359 HydrophobicContact CG2-CE2 3.62Å; I227-Y359 WeakPolarHBondContact CG2-OH 3.45Å; I227-I362 HydrophobicContact CD1-CB 4.16Å; I227-I362 HydrophobicContact CD1-CG2 3.86Å; I227-I362 HydrophobicContact CG1-CG2 4.27Å
228T95.7Very high96.5Very high32 Ų3254.5 Ų54.520%0.19627%0.274CS..  trans-132.6164.5179.464.90000110.6I204 N230 Q231 I232I204-T228 HydrophobicContact CD1-CG2 3.67Å; I204-T228 HydrophobicContact CG1-CG2 3.98Å; T228-N230 PolarHBondContact O-N 3.18Å; T228-Q231 PolarHBondContact O-N 3.41Å; T228-Q231 VanDerWaalsContact O-N 3.17Å; T228-Q231 PolarHBondContact OG1-OE1 2.8Å; T228-I232 PolarHBondContact O-N 3.18Å
229L96.2Very high96.6Very high17 Ų1756.3 Ų56.39%0.08928%0.283CS..Hα-helixtrans-59.6-29.9174.6-70.6167.9000112.4E46 Q231 I232 F233 F272E46-L229 HydrophobicContact CB-CD2 3.98Å; E46-L229 HydrophobicContact CB-CG 4.44Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.29Å; L229-I232 PolarHBondContact O-N 3.18Å; L229-F233 WeakPolarHBondContact O-CB 3.17Å; L229-F233 PolarHBondContact O-N 3.31Å; L229-F272 HydrophobicContact CB-CB 4.12Å; L229-F272 HydrophobicContact CB-CD1 4.24Å; L229-F272 HydrophobicContact CB-CG 4.14Å; L229-F272 HydrophobicContact CD1-CD1 3.7Å; L229-F272 HydrophobicContact CD1-CE1 3.88Å; L229-F272 HydrophobicContact CD1-CG 4.42Å; L229-F272 HydrophobicContact CD2-CD1 3.9Å; L229-F272 HydrophobicContact CD2-CD2 4.11Å; L229-F272 HydrophobicContact CD2-CE1 3.78Å; L229-F272 HydrophobicContact CD2-CE2 4.03Å; L229-F272 HydrophobicContact CD2-CG 4.05Å; L229-F272 HydrophobicContact CD2-CZ 3.85Å; L229-F272 HydrophobicContact CG-CD1 4.16Å; L229-F272 HydrophobicContact CG-CE1 4.39Å; L229-F272 HydrophobicContact CG-CG 4.43Å
230N95.5Very high96.7Very high107 Ų10754 Ų5457%0.57227%0.272SS*.Hα-helixtrans-65-35.9177.6-70.8-8.8000112.5T228 P234T228-N230 PolarHBondContact O-N 3.18Å; N230-P234 WeakPolarHBondContact O-CD 3.31Å
231Q96.7Very high96.7Very high70 Ų7051.5 Ų51.533%0.32726%0.262SS..Hα-helixtrans-73.7-30.3176-71.7159.1-73.500112.1H226 T228 L229 Y235 I362H226-Q231 PolarHBondContact O-NE2 3.17Å; H226-Q231 PolarHBondContact O-OE1 3.45Å; T228-Q231 PolarHBondContact O-N 3.41Å; T228-Q231 VanDerWaalsContact O-N 3.17Å; T228-Q231 PolarHBondContact OG1-OE1 2.8Å; L229-Q231 VanDerWaalsContact C-N 3.33Å; L229-Q231 PolarHBondContact O-N 3.29Å; Q231-Y235 WeakPolarHBondContact O-CD2 3.32Å; Q231-I362 HydrophobicContact CB-CG2 3.86Å; Q231-I362 WeakPolarHBondContact O-CG2 3.32Å
232I97.3Very high96.8Very high0 Ų053.4 Ų53.40%028%0.28CS..Hα-helixtrans-78.5-36179.3-73.3-173.3000112.6F41 P47 I227 T228 L229 Y235 L236 M294 L297 I362F41-I232 HydrophobicContact CE1-CD1 4.02Å; P47-I232 HydrophobicContact CB-CD1 3.47Å; P47-I232 VanDerWaalsContact CB-CD1 3.47Å; P47-I232 HydrophobicContact CG-CD1 3.25Å; P47-I232 HydrophobicContact CG-CG1 4.31Å; I227-I232 HydrophobicContact CD1-CD1 4.23Å; I227-I232 HydrophobicContact CD1-CG1 4.19Å; I227-I232 HydrophobicContact CG1-CG1 4.42Å; T228-I232 PolarHBondContact O-N 3.18Å; L229-I232 PolarHBondContact O-N 3.18Å; I232-Y235 WeakPolarHBondContact O-CB 3.35Å; I232-Y235 PolarHBondContact O-N 3.16Å; I232-L236 HydrophobicContact CG2-CB 4.5Å; I232-L236 PolarHBondContact O-N 3.03Å; I232-M294 HydrophobicContact CG2-CE 4.15Å; I232-L297 HydrophobicContact CD1-CD2 4.31Å; I232-L297 HydrophobicContact CG2-CD1 4.39Å; I232-L297 HydrophobicContact CG2-CD2 3.57Å; I232-I362 HydrophobicContact CG1-CD1 3.87Å; I232-I362 HydrophobicContact CG1-CG2 4.09Å
233F98.4Very high96.8Very high12 Ų1253.8 Ų53.85%0.05328%0.283CS..Hα-helixtrans-56-41.5-169-175.6-116000114.4L229 Y235 L236 K237 I266 A269 D271 F272 F275L229-F233 WeakPolarHBondContact O-CB 3.17Å; L229-F233 PolarHBondContact O-N 3.31Å; F233-Y235 VanDerWaalsContact C-N 3.31Å; F233-Y235 PolarHBondContact O-N 2.94Å; F233-L236 HydrophobicContact CD2-CD2 4.37Å; F233-L236 PolarHBondContact O-N 2.73Å; F233-K237 HydrophobicContact CE1-CD 4.19Å; F233-K237 HydrophobicContact CZ-CD 4.29Å; F233-K237 VanDerWaalsContact O-CB 3.29Å; F233-K237 WeakPolarHBondContact O-CB 3.41Å; F233-K237 PolarHBondContact O-N 2.75Å; F233-I266 HydrophobicContact CE2-CD1 4.38Å; F233-I266 HydrophobicContact CZ-CD1 4.39Å; F233-A269 HydrophobicContact CZ-CB 3.76Å; F233-D271 VanDerWaalsContact CD1-CA 3.5Å; F233-D271 VanDerWaalsContact CE1-CA 3.42Å; F233-F272 HydrophobicContact CB-CB 4.13Å; F233-F272 HydrophobicContact CD2-CB 3.92Å; F233-F272 HydrophobicContact CD2-CD2 4.27Å; F233-F272 HydrophobicContact CG-CB 4.17Å; F233-F275 HydrophobicContact CE2-CB 3.88Å; F233-F275 HydrophobicContact CE2-CD1 4.09Å; F233-F275 HydrophobicContact CE2-CG 4.25Å; F233-F275 HydrophobicContact CZ-CB 4.26Å
234P98Very high97Very high77 Ų7753.4 Ų53.450%0.528%0.281SS..Hα-helixtrans-57.8-40.2175.4-26.936.1000113.6N230 K237 Y238N230-P234 WeakPolarHBondContact O-CD 3.31Å; P234-K237 PolarHBondContact O-N 3.23Å; P234-Y238 WeakPolarHBondContact O-CB 3.29Å; P234-Y238 PolarHBondContact O-N 3Å
235Y98.1Very high97.2Very high111 Ų11151 Ų5144%0.43527%0.266SS..Hα-helixtrans-69.9-42178.2-67.6-94.6000111.7Q231 I232 F233 K237 Y238 Q239 A361 I362Q231-Y235 WeakPolarHBondContact O-CD2 3.32Å; I232-Y235 WeakPolarHBondContact O-CB 3.35Å; I232-Y235 PolarHBondContact O-N 3.16Å; F233-Y235 VanDerWaalsContact C-N 3.31Å; F233-Y235 PolarHBondContact O-N 2.94Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; Y235-Y238 PolarHBondContact O-N 2.83Å; Y235-Q239 WeakPolarHBondContact O-CB 3.27Å; Y235-Q239 PolarHBondContact O-N 3.48Å; Y235-A361 PolarHBondContact OH-O 2.78Å; Y235-I362 HydrophobicContact CD1-CG1 4.16Å; Y235-I362 HydrophobicContact CD2-CD1 4.08Å; Y235-I362 HydrophobicContact CD2-CG1 3.66Å; Y235-I362 HydrophobicContact CD2-CG2 4.35Å; Y235-I362 HydrophobicContact CE1-CG1 4.26Å; Y235-I362 HydrophobicContact CE2-CB 4.3Å; Y235-I362 HydrophobicContact CE2-CG1 3.77Å; Y235-I362 HydrophobicContact CE2-CG2 4.2Å; Y235-I362 HydrophobicContact CG-CD1 4.06Å; Y235-I362 HydrophobicContact CG-CG1 3.86Å
236L98.4Very high97.3Very high0 Ų054.3 Ų54.30%028%0.281CS..Hα-helixtrans-61.8-43.6173.5174.963.1000111.5I232 F233 Q239 I240 F272 L293 V296 L297I232-L236 HydrophobicContact CG2-CB 4.5Å; I232-L236 PolarHBondContact O-N 3.03Å; F233-L236 HydrophobicContact CD2-CD2 4.37Å; F233-L236 PolarHBondContact O-N 2.73Å; L236-Q239 PolarHBondContact O-N 2.82Å; L236-I240 HydrophobicContact CD1-CD1 3.85Å; L236-I240 HydrophobicContact CD1-CG1 4.26Å; L236-I240 HydrophobicContact CG-CD1 3.99Å; L236-I240 WeakPolarHBondContact O-CG1 3.32Å; L236-I240 PolarHBondContact O-N 3.45Å; L236-F272 HydrophobicContact CD2-CD2 3.9Å; L236-F272 HydrophobicContact CD2-CE2 3.86Å; L236-L293 HydrophobicContact CD1-CB 4.38Å; L236-L293 VanDerWaalsContact CD1-O 3.27Å; L236-L293 WeakPolarHBondContact CD1-O 3.42Å; L236-L293 HydrophobicContact CD2-CB 3.83Å; L236-L293 HydrophobicContact CD2-CD1 4.14Å; L236-L293 HydrophobicContact CD2-CD2 4.23Å; L236-L293 HydrophobicContact CD2-CG 4.28Å; L236-V296 HydrophobicContact CD1-CB 4.13Å; L236-V296 HydrophobicContact CD1-CG1 4Å; L236-L297 HydrophobicContact CB-CD1 4.35Å; L236-L297 HydrophobicContact CD1-CB 4.22Å
237K98.5Very high97.4Very high58 Ų5855 Ų5525%0.25229%0.29SS..Hα-helixtrans-61.7-47.2177.9-179.7161.3-169.3168.70111F233 P234 Y235 Q239 I240 I241 I266 A269F233-K237 HydrophobicContact CE1-CD 4.19Å; F233-K237 HydrophobicContact CZ-CD 4.29Å; F233-K237 VanDerWaalsContact O-CB 3.29Å; F233-K237 WeakPolarHBondContact O-CB 3.41Å; F233-K237 PolarHBondContact O-N 2.75Å; P234-K237 PolarHBondContact O-N 3.23Å; Y235-K237 VanDerWaalsContact C-N 3.35Å; K237-Q239 PolarHBondContact O-N 3.45Å; K237-I240 PolarHBondContact O-N 3.36Å; K237-I241 HydrophobicContact CG-CD1 3.83Å; K237-I241 VanDerWaalsContact O-CG1 3.27Å; K237-I241 WeakPolarHBondContact O-CG1 3.38Å; K237-I241 PolarHBondContact O-N 3.47Å; K237-I266 HydrophobicContact CB-CD1 4.09Å; K237-I266 HydrophobicContact CB-CG1 4.46Å; K237-I266 HydrophobicContact CD-CD1 4.45Å; K237-I266 WeakPolarHBondContact CE-O 3.29Å; K237-I266 HydrophobicContact CG-CD1 3.94Å; K237-I266 HydrophobicContact CG-CG1 3.89Å; K237-I266 PolarHBondContact NZ-O 3.11Å; K237-A269 PolarHBondContact NZ-O 3.43Å
238Y98.1Very high97.5Very high162 Ų16254.8 Ų54.864%0.63529%0.289SS*.Hα-helixtrans-54.8-50.6172.5169.5-95.8000111.6P234 Y235 I240 I241 A242P234-Y238 WeakPolarHBondContact O-CB 3.29Å; P234-Y238 PolarHBondContact O-N 3Å; Y235-Y238 PolarHBondContact O-N 2.83Å; Y238-I240 VanDerWaalsContact C-N 3.35Å; Y238-I240 PolarHBondContact O-N 2.94Å; Y238-I241 PolarHBondContact O-N 3.3Å; Y238-I241 VanDerWaalsContact O-N 3.15Å; Y238-A242 HydrophobicContact CE1-CB 4.35Å; Y238-A242 HydrophobicContact CE2-CB 4.46Å; Y238-A242 VanDerWaalsContact O-CB 3.32Å; Y238-A242 WeakPolarHBondContact O-CB 3.24Å; Y238-A242 PolarHBondContact O-N 3.06Å
239Q97.8Very high97.6Very high44 Ų4458.3 Ų58.321%0.20630%0.301CS..Hα-helixtrans-58.8-45.1-177.9-173.871.6-18.200111.8Y235 L236 K237 A242 M243 V296Y235-Q239 WeakPolarHBondContact O-CB 3.27Å; Y235-Q239 PolarHBondContact O-N 3.48Å; L236-Q239 PolarHBondContact O-N 2.82Å; K237-Q239 PolarHBondContact O-N 3.45Å; Q239-A242 PolarHBondContact O-N 2.67Å; Q239-M243 HydrophobicContact CG-CG 4.33Å; Q239-M243 HydrophobicContact CG-SD 3.72Å; Q239-M243 WeakPolarHBondContact O-CB 3.35Å; Q239-M243 WeakPolarHBondContact O-CG 3.15Å; Q239-M243 PolarHBondContact O-N 3.04Å; Q239-V296 HydrophobicContact CG-CG1 4.09Å
240I98.3Very high97.6Very high0 Ų061.1 Ų61.10%032%0.317CS..Hα-helixtrans-66-39.3178-67.8168.2000111.5L236 K237 Y238 L248 L262 K263 I266 F275 L293 V296L236-I240 HydrophobicContact CD1-CD1 3.85Å; L236-I240 HydrophobicContact CD1-CG1 4.26Å; L236-I240 HydrophobicContact CG-CD1 3.99Å; L236-I240 WeakPolarHBondContact O-CG1 3.32Å; L236-I240 PolarHBondContact O-N 3.45Å; K237-I240 PolarHBondContact O-N 3.36Å; Y238-I240 VanDerWaalsContact C-N 3.35Å; Y238-I240 PolarHBondContact O-N 2.94Å; I240-L248 HydrophobicContact CG2-CD1 4.44Å; I240-L262 HydrophobicContact CD1-CD2 4.47Å; I240-L262 HydrophobicContact CG2-CB 4.29Å; I240-K263 VanDerWaalsContact O-CE 3.24Å; I240-K263 WeakPolarHBondContact O-CE 3.29Å; I240-K263 PolarHBondContact O-NZ 3.25Å; I240-I266 HydrophobicContact CB-CG1 4.15Å; I240-I266 HydrophobicContact CD1-CD1 4.06Å; I240-I266 HydrophobicContact CG2-CB 3.9Å; I240-I266 HydrophobicContact CG2-CG1 3.93Å; I240-I266 HydrophobicContact CG2-CG2 3.97Å; I240-F275 HydrophobicContact CD1-CE1 3.4Å; I240-F275 VanDerWaalsContact CD1-CE1 3.4Å; I240-F275 HydrophobicContact CD1-CZ 3.8Å; I240-L293 HydrophobicContact CD1-CD2 4.23Å; I240-V296 HydrophobicContact CD1-CG1 4.44Å; I240-V296 HydrophobicContact CG1-CG1 3.72Å
241I98.2Very high97.8Very high71 Ų7156.1 Ų56.136%0.36429%0.29SS..Hα-helixtrans-66-44.9177.2-69.7167.8000110.4K237 Y238 K263 I266 Y267K237-I241 HydrophobicContact CG-CD1 3.83Å; K237-I241 VanDerWaalsContact O-CG1 3.27Å; K237-I241 WeakPolarHBondContact O-CG1 3.38Å; K237-I241 PolarHBondContact O-N 3.47Å; Y238-I241 PolarHBondContact O-N 3.3Å; Y238-I241 VanDerWaalsContact O-N 3.15Å; I241-K263 PolarHBondContact O-NZ 3.03Å; I241-I266 HydrophobicContact CG1-CG1 4.46Å; I241-I266 HydrophobicContact CG1-CG2 4.19Å; I241-Y267 HydrophobicContact CD1-CE1 4.48Å; I241-Y267 HydrophobicContact CG1-CE1 4.3Å
242A97.9Very high97.7Very high58 Ų5854.6 Ų54.648%0.47928%0.282SS..Hα-helixtrans-73.9-37.5-174.600000114Y238 Q239Y238-A242 HydrophobicContact CE1-CB 4.35Å; Y238-A242 HydrophobicContact CE2-CB 4.46Å; Y238-A242 VanDerWaalsContact O-CB 3.32Å; Y238-A242 WeakPolarHBondContact O-CB 3.24Å; Y238-A242 PolarHBondContact O-N 3.06Å; Q239-A242 PolarHBondContact O-N 2.67Å
243M97.7Very high97.5Very high21 Ų2156 Ų5610%0.10329%0.29CS..SBendtrans-67.2145.8-178.7-73.6178.272.900112.1Q239 S247 L248 I251 K263 V296Q239-M243 HydrophobicContact CG-CG 4.33Å; Q239-M243 HydrophobicContact CG-SD 3.72Å; Q239-M243 WeakPolarHBondContact O-CB 3.35Å; Q239-M243 WeakPolarHBondContact O-CG 3.15Å; Q239-M243 PolarHBondContact O-N 3.04Å; M243-S247 WeakPolarHBondContact CE-O 3.41Å; M243-L248 HydrophobicContact CB-CD2 4.15Å; M243-L248 HydrophobicContact CB-CG 3.91Å; M243-L248 HydrophobicContact CE-CD2 3.97Å; M243-L248 HydrophobicContact CE-CG 4.28Å; M243-L248 HydrophobicContact SD-CD2 3.78Å; M243-L248 HydrophobicContact SD-CG 4.44Å; M243-I251 HydrophobicContact CE-CD1 3.84Å; M243-I251 HydrophobicContact CE-CG1 3.83Å; M243-K263 WeakPolarHBondContact O-CE 3.31Å; M243-K263 PolarHBondContact O-NZ 3.21Å; M243-V296 HydrophobicContact SD-CG1 4.3Å
244T97.6Very high97.4Very high82 Ų8256.3 Ų56.350%0.50329%0.293SS..  trans-71.5159.5168.963.30000110.9D246 S247 L248T244-D246 PolarHBondContact O-N 3.12Å; T244-S247 WeakPolarHBondContact O-CB 3.27Å; T244-S247 PolarHBondContact O-N 3.23Å; T244-S247 VanDerWaalsContact O-N 3.13Å; T244-S247 WeakPolarHBondContact OG1-CB 3.16Å; T244-S247 PolarHBondContact OG1-N 3.27Å; T244-S247 VanDerWaalsContact OG1-N 3.14Å; T244-S247 PolarHBondContact OG1-OG 2.86Å; T244-L248 PolarHBondContact O-N 2.89Å
245T97.1Very high97Very high58 Ų5855.3 Ų55.336%0.35629%0.285SS..Hα-helixtrans-55.6-41.2173.1-55.10000111.6L248 K249 E259 N260T245-L248 PolarHBondContact O-N 2.91Å; T245-K249 WeakPolarHBondContact O-CB 3.34Å; T245-K249 PolarHBondContact O-N 3.42Å; T245-E259 HydrophobicContact CG2-CB 4.31Å; T245-E259 HydrophobicContact CG2-CG 3.53Å; T245-N260 WeakPolarHBondContact CG2-OD1 3.38Å
246D96.9Very high96.6Very high118 Ų11858.2 Ų58.263%0.63130%0.303SS*.Hα-helixtrans-64-40.4176.5-172.365.4000112.5T244 L248 K249 N250T244-D246 PolarHBondContact O-N 3.12Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 2.94Å; D246-K249 WeakPolarHBondContact O-CB 3.45Å; D246-K249 PolarHBondContact O-N 3.11Å; D246-N250 PolarHBondContact O-N 3.4Å
247S97.3Very high96.3Very high52 Ų5259.8 Ų59.836%0.36432%0.319SS..Hα-helixtrans-64.2-40.9175.1-60.40000111.8M243 T244 N250M243-S247 WeakPolarHBondContact CE-O 3.41Å; T244-S247 WeakPolarHBondContact O-CB 3.27Å; T244-S247 PolarHBondContact O-N 3.23Å; T244-S247 VanDerWaalsContact O-N 3.13Å; T244-S247 WeakPolarHBondContact OG1-CB 3.16Å; T244-S247 PolarHBondContact OG1-N 3.27Å; T244-S247 VanDerWaalsContact OG1-N 3.14Å; T244-S247 PolarHBondContact OG1-OG 2.86Å; S247-N250 PolarHBondContact O-N 3.25Å
248L98.3Very high96.2Very high0 Ų057.3 Ų57.30%031%0.308CS..Hα-helixtrans-66-38.8176.3-76171.6000111.9I240 M243 T244 T245 D246 N250 I251 V254 E259 L262 K263 V296I240-L248 HydrophobicContact CG2-CD1 4.44Å; M243-L248 HydrophobicContact CB-CD2 4.15Å; M243-L248 HydrophobicContact CB-CG 3.91Å; M243-L248 HydrophobicContact CE-CD2 3.97Å; M243-L248 HydrophobicContact CE-CG 4.28Å; M243-L248 HydrophobicContact SD-CD2 3.78Å; M243-L248 HydrophobicContact SD-CG 4.44Å; T244-L248 PolarHBondContact O-N 2.89Å; T245-L248 PolarHBondContact O-N 2.91Å; D246-L248 VanDerWaalsContact C-N 3.35Å; D246-L248 PolarHBondContact O-N 2.94Å; L248-N250 PolarHBondContact O-N 3.23Å; L248-I251 WeakPolarHBondContact O-CB 3.43Å; L248-I251 PolarHBondContact O-N 3.4Å; L248-I251 VanDerWaalsContact O-N 3.12Å; L248-V254 WeakPolarHBondContact O-CG1 3.44Å; L248-E259 HydrophobicContact CB-CB 3.75Å; L248-L262 HydrophobicContact CD2-CD1 4.22Å; L248-K263 HydrophobicContact CD1-CD 4.08Å; L248-K263 HydrophobicContact CD1-CG 3.81Å; L248-V296 HydrophobicContact CD2-CG1 3.94Å; L248-V296 HydrophobicContact CD2-CG2 4.31Å
249K97.5Very high96.2Very high106 Ų10650.1 Ų50.146%0.46128%0.281SS..Hα-helixtrans-56.9-34.1175.3-173.8-178.1179.3179.30112T245 D246 I251 E259T245-K249 WeakPolarHBondContact O-CB 3.34Å; T245-K249 PolarHBondContact O-N 3.42Å; D246-K249 WeakPolarHBondContact O-CB 3.45Å; D246-K249 PolarHBondContact O-N 3.11Å; K249-I251 VanDerWaalsContact C-N 3.32Å; K249-I251 PolarHBondContact O-N 2.9Å; K249-E259 HydrophobicContact CB-CB 4.45Å; K249-E259 HydrophobicContact CB-CG 4.05Å
250N97Very high96.2Very high77 Ų7752.1 Ų52.141%0.41229%0.292SS..THydrogen-bonded Turntrans-89.915.4-179.3-162.523.2000114.3D246 S247 L248 P302D246-N250 PolarHBondContact O-N 3.4Å; S247-N250 PolarHBondContact O-N 3.25Å; L248-N250 PolarHBondContact O-N 3.23Å; N250-P302 WeakPolarHBondContact O-CD 2.98Å
251I98Very high96.1Very high1 Ų156.2 Ų56.21%0.00531%0.308CS..SBendtrans-82.7138.3170.8-67.2-60.9000110M243 L248 K249 T253 V254 N295 V296 N299M243-I251 HydrophobicContact CE-CD1 3.84Å; M243-I251 HydrophobicContact CE-CG1 3.83Å; L248-I251 WeakPolarHBondContact O-CB 3.43Å; L248-I251 PolarHBondContact O-N 3.4Å; L248-I251 VanDerWaalsContact O-N 3.12Å; K249-I251 VanDerWaalsContact C-N 3.32Å; K249-I251 PolarHBondContact O-N 2.9Å; I251-T253 PolarHBondContact O-N 3.06Å; I251-V254 HydrophobicContact CB-CB 4.38Å; I251-V254 HydrophobicContact CB-CG2 3.74Å; I251-V254 HydrophobicContact CG2-CG2 3.91Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.12Å; I251-N295 HydrophobicContact CG2-CB 3.84Å; I251-V296 HydrophobicContact CB-CG2 4.44Å; I251-V296 HydrophobicContact CG1-CG2 4.39Å; I251-V296 HydrophobicContact CG2-CG2 3.86Å; I251-N299 VanDerWaalsContact CD1-OD1 3.28Å; I251-N299 WeakPolarHBondContact CD1-OD1 3.1Å
252Y95.8Very high96.1Very high39 Ų3952.8 Ų52.815%0.15329%0.291CS..THydrogen-bonded Turntrans-54.5137.1175.4178.4-125.5000110.6H80 V254 N295 I300 V305H80-Y252 PolarHBondContact CD2-OH 2.78Å; Y252-V254 PolarHBondContact O-N 2.95Å; Y252-N295 WeakPolarHBondContact O-CB 3.46Å; Y252-I300 WeakPolarHBondContact CB-O 3.34Å; Y252-I300 HydrophobicContact CD1-CG2 4.25Å; Y252-I300 HydrophobicContact CG-CG2 4.39Å; Y252-I300 PolarHBondContact N-O 3.4Å; Y252-V305 HydrophobicContact CD1-CG2 3.98Å; Y252-V305 HydrophobicContact CD2-CG2 3.65Å; Y252-V305 HydrophobicContact CE1-CG2 4.07Å; Y252-V305 HydrophobicContact CE2-CG2 3.74Å; Y252-V305 HydrophobicContact CG-CG2 3.79Å
253T93.6Very high96.1Very high30 Ų3051.8 Ų51.818%0.18428%0.275CS..THydrogen-bonded Turntrans68.8-8.7-173.470.20000116.6I251 T255 L292 N295I251-T253 PolarHBondContact O-N 3.06Å; T253-T255 PolarHBondContact O-N 2.98Å; T253-L292 WeakPolarHBondContact OG1-CA 3.2Å; T253-L292 WeakPolarHBondContact OG1-CB 3.43Å; T253-N295 PolarHBondContact OG1-ND2 2.88Å
254V95.1Very high96Very high18 Ų1854.2 Ų54.211%0.10929%0.294CS..  trans-69.9131.8165.7179.20000108.1L248 I251 Y252 F258 E259 L262 L292L248-V254 WeakPolarHBondContact O-CG1 3.44Å; I251-V254 HydrophobicContact CB-CB 4.38Å; I251-V254 HydrophobicContact CB-CG2 3.74Å; I251-V254 HydrophobicContact CG2-CG2 3.91Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.12Å; Y252-V254 PolarHBondContact O-N 2.95Å; V254-F258 HydrophobicContact CG1-CB 4.29Å; V254-E259 HydrophobicContact CG1-CB 4.23Å; V254-L262 HydrophobicContact CG2-CD1 4.44Å; V254-L292 HydrophobicContact CG2-CD1 3.99Å; V254-L292 HydrophobicContact CG2-CD2 3.98Å; V254-L292 HydrophobicContact CG2-CG 3.85Å
255T90.7Very high96.1Very high55 Ų5551.5 Ų51.534%0.33728%0.277SS..  trans-116.3156.7179.246.90000108T253 G257 F258 Y284T253-T255 PolarHBondContact O-N 2.98Å; T255-G257 PolarHBondContact O-N 2.64Å; T255-F258 WeakPolarHBondContact O-CB 3.47Å; T255-F258 PolarHBondContact O-N 3.46Å; T255-Y284 VanDerWaalsContact OG1-CZ 3.28Å; T255-Y284 PolarHBondContact OG1-OH 3.21Å
256E88.2Confident96.1Very high172 Ų17248.7 Ų48.780%0.80426%0.26SS*.THydrogen-bonded Turntrans-47128.2-174-174.7176-166.300113.1F258E256-F258 VanDerWaalsContact C-N 3.26Å; E256-F258 PolarHBondContact O-N 3.25Å
257G93.1Very high96.1Very high33 Ų3350.2 Ų50.234%0.3426%0.258SS..THydrogen-bonded Turntrans84.7-17.1-179.900000114.6T255 E259 N260 R261T255-G257 PolarHBondContact O-N 2.64Å; G257-E259 VanDerWaalsContact C-N 3.3Å; G257-E259 WeakPolarHBondContact CA-OE1 3.43Å; G257-E259 PolarHBondContact N-OE1 2.99Å; G257-E259 PolarHBondContact N-OE2 2.76Å; G257-E259 PolarHBondContact O-N 3.23Å; G257-N260 PolarHBondContact O-N 3.36Å; G257-R261 PolarHBondContact O-N 3.04Å
258F95.8Very high96.1Very high7 Ų753.8 Ų53.83%0.03127%0.268CS..Hα-helixtrans-70.5-29.2-179.8-159.3-92.7000112V254 T255 E256 N260 R261 L262 L279 Y284 I289 L292V254-F258 HydrophobicContact CG1-CB 4.29Å; T255-F258 WeakPolarHBondContact O-CB 3.47Å; T255-F258 PolarHBondContact O-N 3.46Å; E256-F258 VanDerWaalsContact C-N 3.26Å; E256-F258 PolarHBondContact O-N 3.25Å; F258-N260 VanDerWaalsContact C-N 3.27Å; F258-N260 PolarHBondContact O-N 3.45Å; F258-R261 WeakPolarHBondContact O-CB 3.17Å; F258-R261 PolarHBondContact O-N 3.49Å; F258-R261 VanDerWaalsContact O-N 3.11Å; F258-L262 HydrophobicContact CD1-CD1 4.38Å; F258-L262 HydrophobicContact CD1-CD2 4.35Å; F258-L262 HydrophobicContact CD1-CG 4.05Å; F258-L262 HydrophobicContact CE1-CD2 3.96Å; F258-L262 HydrophobicContact CE1-CG 4.16Å; F258-L262 WeakPolarHBondContact O-CG 3.36Å; F258-L262 PolarHBondContact O-N 2.92Å; F258-L279 HydrophobicContact CE1-CD1 4.47Å; F258-L279 HydrophobicContact CZ-CB 4.13Å; F258-L279 HydrophobicContact CZ-CD1 4.47Å; F258-L279 HydrophobicContact CZ-CD2 4.49Å; F258-Y284 AromaticContact CD2-CD2 3.82Å; F258-Y284 HydrophobicContact CD2-CD2 3.82Å; F258-Y284 AromaticContact CD2-CE2 3.58Å; F258-Y284 HydrophobicContact CD2-CE2 3.58Å; F258-Y284 AromaticContact CE2-CD2 3.56Å; F258-Y284 HydrophobicContact CE2-CD2 3.56Å; F258-Y284 AromaticContact CE2-CE2 3.86Å; F258-Y284 HydrophobicContact CE2-CE2 3.86Å; F258-Y284 HydrophobicContact CE2-CG 4.38Å; F258-I289 HydrophobicContact CZ-CG1 4.14Å; F258-L292 HydrophobicContact CD1-CD1 3.52Å; F258-L292 HydrophobicContact CD1-CD2 4.14Å; F258-L292 HydrophobicContact CE1-CD1 3.51Å; F258-L292 HydrophobicContact CE1-CD2 3.83Å; F258-L292 HydrophobicContact CE1-CG 4.35Å; F258-L292 HydrophobicContact CG-CD1 4.36Å; F258-L292 HydrophobicContact CZ-CD1 4.36Å
259E97.7Very high96.1Very high11 Ų1153.8 Ų53.85%0.05127%0.269CS..Hα-helixtrans-56.5-38.3171.166-75.1174.800112.9T245 L248 K249 V254 G257 L262 K263T245-E259 HydrophobicContact CG2-CB 4.31Å; T245-E259 HydrophobicContact CG2-CG 3.53Å; L248-E259 HydrophobicContact CB-CB 3.75Å; K249-E259 HydrophobicContact CB-CB 4.45Å; K249-E259 HydrophobicContact CB-CG 4.05Å; V254-E259 HydrophobicContact CG1-CB 4.23Å; G257-E259 VanDerWaalsContact C-N 3.3Å; G257-E259 WeakPolarHBondContact CA-OE1 3.43Å; G257-E259 PolarHBondContact N-OE1 2.99Å; G257-E259 PolarHBondContact N-OE2 2.76Å; G257-E259 PolarHBondContact O-N 3.23Å; E259-L262 WeakPolarHBondContact O-CB 3.49Å; E259-L262 PolarHBondContact O-N 2.93Å; E259-K263 PolarHBondContact O-N 2.95Å; E259-K263 VanDerWaalsContact O-N 3.09Å
260N97.5Very high96.1Very high85 Ų8553.7 Ų53.746%0.45528%0.277SS..Hα-helixtrans-68.7-38.9176.6-63.2-53.4000110.7T245 G257 F258 K263 S264T245-N260 WeakPolarHBondContact CG2-OD1 3.38Å; G257-N260 PolarHBondContact O-N 3.36Å; F258-N260 VanDerWaalsContact C-N 3.27Å; F258-N260 PolarHBondContact O-N 3.45Å; N260-K263 PolarHBondContact O-N 2.76Å; N260-S264 WeakPolarHBondContact O-CB 3.49Å; N260-S264 PolarHBondContact O-N 3.04Å; N260-S264 PolarHBondContact O-OG 3.17Å
261R96.8Very high96.1Very high86 Ų8652.7 Ų52.733%0.32527%0.272SS..Hα-helixtrans-64.3-40.3175.9-163.7-178.9-175.676.17.6111.6G257 F258 S264 N265 L278 L279G257-R261 PolarHBondContact O-N 3.04Å; F258-R261 WeakPolarHBondContact O-CB 3.17Å; F258-R261 PolarHBondContact O-N 3.49Å; F258-R261 VanDerWaalsContact O-N 3.11Å; R261-S264 PolarHBondContact O-OG 3.35Å; R261-N265 WeakPolarHBondContact CG-ND2 3.22Å; R261-N265 WeakPolarHBondContact O-CB 3.14Å; R261-N265 PolarHBondContact O-N 2.96Å; R261-N265 VanDerWaalsContact O-N 3.17Å; R261-N265 PolarHBondContact O-ND2 3.37Å; R261-L278 PolarHBondContact NH2-O 3.18Å; R261-L279 HydrophobicContact CB-CD2 4.4Å; R261-L279 HydrophobicContact CG-CD2 3.85Å; R261-L279 PolarHBondContact NE-O 3.43Å
262L98.2Very high96.1Very high0 Ų052.6 Ų52.60%027%0.271CS..Hα-helixtrans-57.2-51.3172.6-68173.1000110.5I240 L248 V254 F258 E259 I266 F275 L279 L292 L293 V296I240-L262 HydrophobicContact CD1-CD2 4.47Å; I240-L262 HydrophobicContact CG2-CB 4.29Å; L248-L262 HydrophobicContact CD2-CD1 4.22Å; V254-L262 HydrophobicContact CG2-CD1 4.44Å; F258-L262 HydrophobicContact CD1-CD1 4.38Å; F258-L262 HydrophobicContact CD1-CD2 4.35Å; F258-L262 HydrophobicContact CD1-CG 4.05Å; F258-L262 HydrophobicContact CE1-CD2 3.96Å; F258-L262 HydrophobicContact CE1-CG 4.16Å; F258-L262 WeakPolarHBondContact O-CG 3.36Å; F258-L262 PolarHBondContact O-N 2.92Å; E259-L262 WeakPolarHBondContact O-CB 3.49Å; E259-L262 PolarHBondContact O-N 2.93Å; L262-I266 WeakPolarHBondContact O-CB 3.46Å; L262-I266 PolarHBondContact O-N 2.72Å; L262-F275 HydrophobicContact CD2-CE1 4.19Å; L262-F275 HydrophobicContact CD2-CZ 3.9Å; L262-L279 HydrophobicContact CD2-CD1 3.63Å; L262-L279 HydrophobicContact CD2-CD2 4.06Å; L262-L292 HydrophobicContact CD1-CD2 4.11Å; L262-L292 HydrophobicContact CD2-CD2 4.13Å; L262-L293 HydrophobicContact CD2-CD2 3.72Å; L262-V296 HydrophobicContact CD1-CG2 4.22Å
263K97.9Very high96.2Very high37 Ų3754.7 Ų54.716%0.16128%0.282CS..Hα-helixtrans-63.4-43.2-178.8-79.8-68.8-167.4-179.70113.6I240 I241 M243 L248 E259 N260 I266 Y267I240-K263 VanDerWaalsContact O-CE 3.24Å; I240-K263 WeakPolarHBondContact O-CE 3.29Å; I240-K263 PolarHBondContact O-NZ 3.25Å; I241-K263 PolarHBondContact O-NZ 3.03Å; M243-K263 WeakPolarHBondContact O-CE 3.31Å; M243-K263 PolarHBondContact O-NZ 3.21Å; L248-K263 HydrophobicContact CD1-CD 4.08Å; L248-K263 HydrophobicContact CD1-CG 3.81Å; E259-K263 PolarHBondContact O-N 2.95Å; E259-K263 VanDerWaalsContact O-N 3.09Å; N260-K263 PolarHBondContact O-N 2.76Å; K263-I266 WeakPolarHBondContact O-CG2 3.38Å; K263-Y267 WeakPolarHBondContact O-CD2 3.48Å; K263-Y267 VanDerWaalsContact O-CE2 3.28Å; K263-Y267 WeakPolarHBondContact O-CE2 3.46Å
264S97Very high96.4Very high72 Ų7255.9 Ų55.950%0.50329%0.286SS..Hα-helixtrans-72.2-35-176.367.90000112.5N260 R261N260-S264 WeakPolarHBondContact O-CB 3.49Å; N260-S264 PolarHBondContact O-N 3.04Å; N260-S264 PolarHBondContact O-OG 3.17Å; R261-S264 PolarHBondContact O-OG 3.35Å
265N98Very high96.5Very high24 Ų2455 Ų5513%0.12828%0.281CS..Hα-helixtrans-93.2-14.2-172.7-68.4-95.3000113.9R261 Y267 E268 A269 F275 L278 L279R261-N265 WeakPolarHBondContact CG-ND2 3.22Å; R261-N265 WeakPolarHBondContact O-CB 3.14Å; R261-N265 PolarHBondContact O-N 2.96Å; R261-N265 VanDerWaalsContact O-N 3.17Å; R261-N265 PolarHBondContact O-ND2 3.37Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.45Å; N265-E268 PolarHBondContact O-N 3.01Å; N265-A269 PolarHBondContact O-N 3.14Å; N265-F275 HydrophobicContact CB-CD2 4.45Å; N265-F275 HydrophobicContact CB-CE2 4Å; N265-L278 HydrophobicContact CB-CB 4.02Å; N265-L278 HydrophobicContact CB-CD1 4.36Å; N265-L279 HydrophobicContact CB-CD2 4.29Å
266I98.2Very high96.9Very high0 Ų052.4 Ų52.40%026%0.264CS..THydrogen-bonded Turntrans-66.2-27.1-174.4-168.558.1000113.4F233 K237 I240 I241 L262 K263 A269 F275F233-I266 HydrophobicContact CE2-CD1 4.38Å; F233-I266 HydrophobicContact CZ-CD1 4.39Å; K237-I266 HydrophobicContact CB-CD1 4.09Å; K237-I266 HydrophobicContact CB-CG1 4.46Å; K237-I266 HydrophobicContact CD-CD1 4.45Å; K237-I266 WeakPolarHBondContact CE-O 3.29Å; K237-I266 HydrophobicContact CG-CD1 3.94Å; K237-I266 HydrophobicContact CG-CG1 3.89Å; K237-I266 PolarHBondContact NZ-O 3.11Å; I240-I266 HydrophobicContact CB-CG1 4.15Å; I240-I266 HydrophobicContact CD1-CD1 4.06Å; I240-I266 HydrophobicContact CG2-CB 3.9Å; I240-I266 HydrophobicContact CG2-CG1 3.93Å; I240-I266 HydrophobicContact CG2-CG2 3.97Å; I241-I266 HydrophobicContact CG1-CG1 4.46Å; I241-I266 HydrophobicContact CG1-CG2 4.19Å; L262-I266 WeakPolarHBondContact O-CB 3.46Å; L262-I266 PolarHBondContact O-N 2.72Å; K263-I266 WeakPolarHBondContact O-CG2 3.38Å; I266-A269 HydrophobicContact CD1-CB 4.5Å; I266-A269 PolarHBondContact O-N 2.89Å; I266-F275 HydrophobicContact CB-CE2 4.11Å; I266-F275 HydrophobicContact CB-CZ 4.12Å; I266-F275 HydrophobicContact CD1-CD1 4.03Å; I266-F275 HydrophobicContact CD1-CD2 4.26Å; I266-F275 HydrophobicContact CD1-CE1 3.71Å; I266-F275 HydrophobicContact CD1-CE2 3.97Å; I266-F275 HydrophobicContact CD1-CG 4.29Å; I266-F275 HydrophobicContact CD1-CZ 3.68Å; I266-F275 HydrophobicContact CG1-CZ 4.43Å
267Y97.3Very high97.3Very high150 Ų15051.2 Ų51.259%0.58826%0.256SS*.THydrogen-bonded Turntrans-73-34.5-178.3-61.5-75.3000112.4I241 K263 N265I241-Y267 HydrophobicContact CD1-CE1 4.48Å; I241-Y267 HydrophobicContact CG1-CE1 4.3Å; K263-Y267 WeakPolarHBondContact O-CD2 3.48Å; K263-Y267 VanDerWaalsContact O-CE2 3.28Å; K263-Y267 WeakPolarHBondContact O-CE2 3.46Å; N265-Y267 VanDerWaalsContact C-N 3.25Å; N265-Y267 PolarHBondContact O-N 3.45Å
268E97.5Very high97.5Very high126 Ų12651.3 Ų51.359%0.58925%0.249SC*.THydrogen-bonded Turntrans-79.2-20.3176.5-64.2176.9-164.900112.7N265 T270 H274 L278N265-E268 PolarHBondContact O-N 3.01Å; E268-T270 PolarHBondContact O-N 3.16Å; E268-H274 PolarHBondContact O-CE1 3.01Å; E268-L278 HydrophobicContact CB-CD1 4.01Å
269A97.6Very high97.6Very high1 Ų151 Ų511%0.00825%0.248CC..  trans-70.6121.6-17600000112.9F233 K237 N265 I266 F275 L278F233-A269 HydrophobicContact CZ-CB 3.76Å; K237-A269 PolarHBondContact NZ-O 3.43Å; N265-A269 PolarHBondContact O-N 3.14Å; I266-A269 HydrophobicContact CD1-CB 4.5Å; I266-A269 PolarHBondContact O-N 2.89Å; A269-F275 HydrophobicContact CB-CB 3.66Å; A269-F275 HydrophobicContact CB-CD2 3.67Å; A269-F275 HydrophobicContact CB-CG 3.87Å; A269-L278 HydrophobicContact CB-CD1 4.22Å
270T96.6Very high97.5Very high104 Ų10454.5 Ų54.564%0.63826%0.263SS*.SBendtrans-88.6-35.7179.751.80000112.7E268 H274E268-T270 PolarHBondContact O-N 3.16Å; T270-H274 PolarHBondContact N-ND1 3.03Å; T270-H274 WeakPolarHBondContact OG1-CB 3.45Å; T270-H274 PolarHBondContact OG1-ND1 3.26Å
271D97.9Very high97.2Very high55 Ų5552.5 Ų52.529%0.29425%0.253SS..SBendtrans-150.1174179.662.873.1000110.1F233 H273 H274 F275F233-D271 VanDerWaalsContact CD1-CA 3.5Å; F233-D271 VanDerWaalsContact CE1-CA 3.42Å; D271-H273 PolarHBondContact O-N 2.98Å; D271-H273 WeakPolarHBondContact OD1-CA 3.07Å; D271-H273 WeakPolarHBondContact OD1-CB 3.33Å; D271-H273 PolarHBondContact OD1-N 3.36Å; D271-H274 PolarHBondContact O-N 2.91Å; D271-H274 PolarHBondContact OD1-N 3.03Å; D271-F275 PolarHBondContact O-N 3.33Å
272F98Very high96.8Very high0 Ų057.3 Ų57.30%028%0.277CS..Hα-helixtrans-59-44.4-178.6-176-89.1000112.8L229 F233 L236 F275 V276 Q290 L293 M294L229-F272 HydrophobicContact CB-CB 4.12Å; L229-F272 HydrophobicContact CB-CD1 4.24Å; L229-F272 HydrophobicContact CB-CG 4.14Å; L229-F272 HydrophobicContact CD1-CD1 3.7Å; L229-F272 HydrophobicContact CD1-CE1 3.88Å; L229-F272 HydrophobicContact CD1-CG 4.42Å; L229-F272 HydrophobicContact CD2-CD1 3.9Å; L229-F272 HydrophobicContact CD2-CD2 4.11Å; L229-F272 HydrophobicContact CD2-CE1 3.78Å; L229-F272 HydrophobicContact CD2-CE2 4.03Å; L229-F272 HydrophobicContact CD2-CG 4.05Å; L229-F272 HydrophobicContact CD2-CZ 3.85Å; L229-F272 HydrophobicContact CG-CD1 4.16Å; L229-F272 HydrophobicContact CG-CE1 4.39Å; L229-F272 HydrophobicContact CG-CG 4.43Å; F233-F272 HydrophobicContact CB-CB 4.13Å; F233-F272 HydrophobicContact CD2-CB 3.92Å; F233-F272 HydrophobicContact CD2-CD2 4.27Å; F233-F272 HydrophobicContact CG-CB 4.17Å; L236-F272 HydrophobicContact CD2-CD2 3.9Å; L236-F272 HydrophobicContact CD2-CE2 3.86Å; F272-F275 PolarHBondContact O-N 3.2Å; F272-V276 HydrophobicContact CD1-CG2 4.04Å; F272-V276 HydrophobicContact CE1-CG2 3.67Å; F272-V276 HydrophobicContact CZ-CG2 4.05Å; F272-V276 WeakPolarHBondContact O-CG2 3.29Å; F272-V276 PolarHBondContact O-N 3.42Å; F272-Q290 HydrophobicContact CE1-CG 3.97Å; F272-Q290 HydrophobicContact CZ-CB 4.36Å; F272-Q290 HydrophobicContact CZ-CG 4.17Å; F272-L293 HydrophobicContact CD2-CD1 4.38Å; F272-L293 HydrophobicContact CE2-CB 4.07Å; F272-L293 HydrophobicContact CE2-CD1 3.71Å; F272-L293 HydrophobicContact CZ-CB 4.43Å; F272-L293 HydrophobicContact CZ-CD1 3.94Å; F272-M294 HydrophobicContact CE2-CE 3.56Å; F272-M294 HydrophobicContact CZ-CE 4.04Å
273H96.8Very high96.4Very high82 Ų8263 Ų6338%0.3830%0.298SS..Hα-helixtrans-70.1-38.9-176.7-69.3-68.7000111.5D271 F275 V276 K277 Y286D271-H273 PolarHBondContact O-N 2.98Å; D271-H273 WeakPolarHBondContact OD1-CA 3.07Å; D271-H273 WeakPolarHBondContact OD1-CB 3.33Å; D271-H273 PolarHBondContact OD1-N 3.36Å; H273-F275 VanDerWaalsContact C-N 3.33Å; H273-V276 PolarHBondContact O-N 3.45Å; H273-K277 WeakPolarHBondContact O-CG 3.46Å; H273-K277 PolarHBondContact O-N 3.4Å; H273-K277 VanDerWaalsContact O-N 3.11Å; H273-Y286 PolarHBondContact ND1-OH 2.84Å
274H98Very high96.2Very high56 Ų5662.4 Ų62.426%0.25930%0.295SS..Hα-helixtrans-59.8-45171.2-177.7-158.2000110.5E268 T270 D271 V276 K277 L278E268-H274 PolarHBondContact O-CE1 3.01Å; T270-H274 PolarHBondContact N-ND1 3.03Å; T270-H274 WeakPolarHBondContact OG1-CB 3.45Å; T270-H274 PolarHBondContact OG1-ND1 3.26Å; D271-H274 PolarHBondContact O-N 2.91Å; D271-H274 PolarHBondContact OD1-N 3.03Å; H274-V276 PolarHBondContact O-N 2.94Å; H274-K277 WeakPolarHBondContact O-CB 3.39Å; H274-K277 PolarHBondContact O-N 2.97Å; H274-K277 VanDerWaalsContact O-N 3.14Å; H274-L278 WeakPolarHBondContact O-CG 3.27Å; H274-L278 PolarHBondContact O-N 3.22Å
275F98.4Very high96Very high0 Ų061.1 Ų61.10%029%0.285CS..Hα-helixtrans-60.7-46.3178.2-167.7-144.9000112.7F233 I240 L262 N265 I266 A269 D271 F272 H273 K277 L278 L279 L293F233-F275 HydrophobicContact CE2-CB 3.88Å; F233-F275 HydrophobicContact CE2-CD1 4.09Å; F233-F275 HydrophobicContact CE2-CG 4.25Å; F233-F275 HydrophobicContact CZ-CB 4.26Å; I240-F275 HydrophobicContact CD1-CE1 3.4Å; I240-F275 VanDerWaalsContact CD1-CE1 3.4Å; I240-F275 HydrophobicContact CD1-CZ 3.8Å; L262-F275 HydrophobicContact CD2-CE1 4.19Å; L262-F275 HydrophobicContact CD2-CZ 3.9Å; N265-F275 HydrophobicContact CB-CD2 4.45Å; N265-F275 HydrophobicContact CB-CE2 4Å; I266-F275 HydrophobicContact CB-CE2 4.11Å; I266-F275 HydrophobicContact CB-CZ 4.12Å; I266-F275 HydrophobicContact CD1-CD1 4.03Å; I266-F275 HydrophobicContact CD1-CD2 4.26Å; I266-F275 HydrophobicContact CD1-CE1 3.71Å; I266-F275 HydrophobicContact CD1-CE2 3.97Å; I266-F275 HydrophobicContact CD1-CG 4.29Å; I266-F275 HydrophobicContact CD1-CZ 3.68Å; I266-F275 HydrophobicContact CG1-CZ 4.43Å; A269-F275 HydrophobicContact CB-CB 3.66Å; A269-F275 HydrophobicContact CB-CD2 3.67Å; A269-F275 HydrophobicContact CB-CG 3.87Å; D271-F275 PolarHBondContact O-N 3.33Å; F272-F275 PolarHBondContact O-N 3.2Å; H273-F275 VanDerWaalsContact C-N 3.33Å; F275-K277 VanDerWaalsContact C-N 3.25Å; F275-K277 PolarHBondContact O-N 2.98Å; F275-L278 PolarHBondContact O-N 2.87Å; F275-L279 HydrophobicContact CD1-CD1 4.01Å; F275-L279 HydrophobicContact CD2-CD1 4.16Å; F275-L279 HydrophobicContact CD2-CD2 4.47Å; F275-L279 HydrophobicContact CD2-CG 4.03Å; F275-L279 HydrophobicContact CE1-CD1 3.74Å; F275-L279 HydrophobicContact CE2-CD1 3.9Å; F275-L279 HydrophobicContact CE2-CD2 3.82Å; F275-L279 HydrophobicContact CE2-CG 3.82Å; F275-L279 HydrophobicContact CG-CD1 4.22Å; F275-L279 HydrophobicContact CG-CG 4.49Å; F275-L279 HydrophobicContact CZ-CD1 3.68Å; F275-L279 HydrophobicContact CZ-CD2 4.09Å; F275-L279 HydrophobicContact CZ-CG 4.1Å; F275-L279 VanDerWaalsContact O-CG 3.29Å; F275-L279 WeakPolarHBondContact O-CG 3.4Å; F275-L279 PolarHBondContact O-N 2.63Å; F275-L293 HydrophobicContact CD1-CD1 3.9Å; F275-L293 HydrophobicContact CD1-CD2 4.02Å; F275-L293 HydrophobicContact CE1-CD1 4.28Å; F275-L293 HydrophobicContact CE1-CD2 3.52Å; F275-L293 HydrophobicContact CZ-CD2 4.47Å
276V98Very high95.8Very high0 Ų063.4 Ų63.40%029%0.292CS..Hα-helixtrans-60.4-36.9177.31800000111.4F272 H273 H274 L279 K280 Y286 I289 Q290 L293F272-V276 HydrophobicContact CD1-CG2 4.04Å; F272-V276 HydrophobicContact CE1-CG2 3.67Å; F272-V276 HydrophobicContact CZ-CG2 4.05Å; F272-V276 WeakPolarHBondContact O-CG2 3.29Å; F272-V276 PolarHBondContact O-N 3.42Å; H273-V276 PolarHBondContact O-N 3.45Å; H274-V276 PolarHBondContact O-N 2.94Å; V276-L279 PolarHBondContact O-N 3.26Å; V276-K280 PolarHBondContact O-N 2.82Å; V276-Y286 HydrophobicContact CB-CD2 4.43Å; V276-Y286 HydrophobicContact CB-CE2 3.77Å; V276-Y286 HydrophobicContact CG1-CD1 4.13Å; V276-Y286 HydrophobicContact CG1-CD2 3.4Å; V276-Y286 VanDerWaalsContact CG1-CD2 3.4Å; V276-Y286 HydrophobicContact CG1-CE1 3.96Å; V276-Y286 HydrophobicContact CG1-CE2 3.21Å; V276-Y286 HydrophobicContact CG1-CG 3.85Å; V276-Y286 VanDerWaalsContact CG1-CZ 3.5Å; V276-I289 HydrophobicContact CB-CG2 4.39Å; V276-I289 HydrophobicContact CG1-CB 4.06Å; V276-I289 HydrophobicContact CG1-CD1 4.5Å; V276-I289 HydrophobicContact CG1-CG2 3.9Å; V276-I289 HydrophobicContact CG2-CG2 4.24Å; V276-Q290 HydrophobicContact CG2-CG 4.27Å; V276-L293 HydrophobicContact CG2-CD1 3.71Å
277K97.6Very high95.6Very high146 Ų14665.9 Ų65.964%0.63531%0.307SS*.Hα-helixtrans-63.2-46.9175-72.4173.5-178177.80111.7H273 H274 F275 L279 K280H273-K277 WeakPolarHBondContact O-CG 3.46Å; H273-K277 PolarHBondContact O-N 3.4Å; H273-K277 VanDerWaalsContact O-N 3.11Å; H274-K277 WeakPolarHBondContact O-CB 3.39Å; H274-K277 PolarHBondContact O-N 2.97Å; H274-K277 VanDerWaalsContact O-N 3.14Å; F275-K277 VanDerWaalsContact C-N 3.25Å; F275-K277 PolarHBondContact O-N 2.98Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 PolarHBondContact O-N 3.17Å; K277-K280 WeakPolarHBondContact O-CB 3.33Å; K277-K280 PolarHBondContact O-N 3.04Å; K277-K280 VanDerWaalsContact O-N 3.17Å
278L97.8Very high95.5Very high35 Ų3560.6 Ų60.618%0.18329%0.287CS..Hα-helixtrans-59.1-39.3175.6-67172.9000111.5R261 N265 E268 A269 H274 F275 K280R261-L278 PolarHBondContact NH2-O 3.18Å; N265-L278 HydrophobicContact CB-CB 4.02Å; N265-L278 HydrophobicContact CB-CD1 4.36Å; E268-L278 HydrophobicContact CB-CD1 4.01Å; A269-L278 HydrophobicContact CB-CD1 4.22Å; H274-L278 WeakPolarHBondContact O-CG 3.27Å; H274-L278 PolarHBondContact O-N 3.22Å; F275-L278 PolarHBondContact O-N 2.87Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.04Å
279L97.8Very high95.5Very high0 Ų054.6 Ų54.60%026%0.259CS..Hα-helixtrans-75.2-18.5179.7-66.1178.5000114.2F258 R261 L262 N265 F275 V276 K277 T281 I289 L293F258-L279 HydrophobicContact CE1-CD1 4.47Å; F258-L279 HydrophobicContact CZ-CB 4.13Å; F258-L279 HydrophobicContact CZ-CD1 4.47Å; F258-L279 HydrophobicContact CZ-CD2 4.49Å; R261-L279 HydrophobicContact CB-CD2 4.4Å; R261-L279 HydrophobicContact CG-CD2 3.85Å; R261-L279 PolarHBondContact NE-O 3.43Å; L262-L279 HydrophobicContact CD2-CD1 3.63Å; L262-L279 HydrophobicContact CD2-CD2 4.06Å; N265-L279 HydrophobicContact CB-CD2 4.29Å; F275-L279 HydrophobicContact CD1-CD1 4.01Å; F275-L279 HydrophobicContact CD2-CD1 4.16Å; F275-L279 HydrophobicContact CD2-CD2 4.47Å; F275-L279 HydrophobicContact CD2-CG 4.03Å; F275-L279 HydrophobicContact CE1-CD1 3.74Å; F275-L279 HydrophobicContact CE2-CD1 3.9Å; F275-L279 HydrophobicContact CE2-CD2 3.82Å; F275-L279 HydrophobicContact CE2-CG 3.82Å; F275-L279 HydrophobicContact CG-CD1 4.22Å; F275-L279 HydrophobicContact CG-CG 4.49Å; F275-L279 HydrophobicContact CZ-CD1 3.68Å; F275-L279 HydrophobicContact CZ-CD2 4.09Å; F275-L279 HydrophobicContact CZ-CG 4.1Å; F275-L279 VanDerWaalsContact O-CG 3.29Å; F275-L279 WeakPolarHBondContact O-CG 3.4Å; F275-L279 PolarHBondContact O-N 2.63Å; V276-L279 PolarHBondContact O-N 3.26Å; K277-L279 VanDerWaalsContact C-N 3.26Å; K277-L279 PolarHBondContact O-N 3.17Å; L279-T281 PolarHBondContact O-N 3.48Å; L279-I289 HydrophobicContact CB-CD1 4.19Å; L279-I289 HydrophobicContact CB-CG2 3.91Å; L279-I289 HydrophobicContact CD1-CG2 3.69Å; L279-I289 HydrophobicContact CG-CG2 4.5Å; L279-L293 HydrophobicContact CD1-CD1 4.31Å; L279-L293 HydrophobicContact CD1-CD2 3.95Å; L279-L293 HydrophobicContact CD1-CG 4.45Å
280K95Very high95.5Very high86 Ų8655.3 Ų55.337%0.37426%0.263SS..  trans-60.7132.5-172.3-170.369.1177.177.40112.2V276 K277 L278 Y284 I289V276-K280 PolarHBondContact O-N 2.82Å; K277-K280 WeakPolarHBondContact O-CB 3.33Å; K277-K280 PolarHBondContact O-N 3.04Å; K277-K280 VanDerWaalsContact O-N 3.17Å; L278-K280 VanDerWaalsContact C-N 3.34Å; L278-K280 PolarHBondContact O-N 3.04Å; K280-Y284 WeakPolarHBondContact CE-O 3.43Å; K280-Y284 PolarHBondContact NZ-O 3.5Å; K280-I289 HydrophobicContact CB-CD1 4.38Å; K280-I289 HydrophobicContact CD-CD1 4.03Å
281T91.7Very high95.6Very high42 Ų4251.3 Ų51.326%0.25824%0.236SC..  trans-131175.9171.572.60000110.8L279 R283 Y284L279-T281 PolarHBondContact O-N 3.48Å; T281-R283 VanDerWaalsContact C-N 3.27Å; T281-R283 PolarHBondContact O-N 2.65Å; T281-R283 PolarHBondContact OG1-N 3.26Å; T281-Y284 WeakPolarHBondContact OG1-CD2 3.35Å; T281-Y284 PolarHBondContact OG1-N 3.06Å
282K88.5Confident95.6Very high187 Ų18748.7 Ų48.781%0.81322%0.222SC*.SBendtrans-64.1-31.9173.1-69.4-179.3179.9175.70112.5
283R89.9Confident95.6Very high119 Ų11948.7 Ų48.745%0.44922%0.222SC..SBendtrans-74-43.7-176.4-176.9178.3-78.7-172.3-5.6113G132 S134 T281G132-R283 VanDerWaalsContact O-CA 3.26Å; G132-R283 WeakPolarHBondContact O-CA 3.31Å; G132-R283 WeakPolarHBondContact O-CB 3.37Å; S134-R283 WeakPolarHBondContact CB-O 3.41Å; T281-R283 VanDerWaalsContact C-N 3.27Å; T281-R283 PolarHBondContact O-N 2.65Å; T281-R283 PolarHBondContact OG1-N 3.26Å
284Y92.3Very high95.7Very high25 Ų2544.8 Ų44.810%0.09820%0.204CC..SBendtrans-102.9131.4-172.4-55.4-65.6000112.2T255 F258 K280 T281 H288T255-Y284 VanDerWaalsContact OG1-CZ 3.28Å; T255-Y284 PolarHBondContact OG1-OH 3.21Å; F258-Y284 AromaticContact CD2-CD2 3.82Å; F258-Y284 HydrophobicContact CD2-CD2 3.82Å; F258-Y284 AromaticContact CD2-CE2 3.58Å; F258-Y284 HydrophobicContact CD2-CE2 3.58Å; F258-Y284 AromaticContact CE2-CD2 3.56Å; F258-Y284 HydrophobicContact CE2-CD2 3.56Å; F258-Y284 AromaticContact CE2-CE2 3.86Å; F258-Y284 HydrophobicContact CE2-CE2 3.86Å; F258-Y284 HydrophobicContact CE2-CG 4.38Å; K280-Y284 WeakPolarHBondContact CE-O 3.43Å; K280-Y284 PolarHBondContact NZ-O 3.5Å; T281-Y284 WeakPolarHBondContact OG1-CD2 3.35Å; T281-Y284 PolarHBondContact OG1-N 3.06Å; Y284-H288 AromaticContact CD1-CD2 3.39Å; Y284-H288 WeakPolarHBondContact CD1-CD2 3.25Å; Y284-H288 AromaticContact CD1-CE1 3.99Å; Y284-H288 AromaticContact CD1-NE2 3.29Å; Y284-H288 VanDerWaalsContact CD1-NE2 3.29Å; Y284-H288 WeakPolarHBondContact CD1-NE2 3.32Å; Y284-H288 AromaticContact CE1-NE2 3.73Å; Y284-H288 AromaticContact CG-CD2 3.85Å
285T92.3Very high95.7Very high46 Ų4642.1 Ų42.128%0.28219%0.192SC..  trans-72.4161.6172.765.50000111.2P136 T287 H288 I289P136-T285 HydrophobicContact CG-CG2 4.4Å; T285-T287 VanDerWaalsContact C-N 3.34Å; T285-T287 PolarHBondContact O-N 3.14Å; T285-H288 WeakPolarHBondContact O-CB 3.39Å; T285-H288 PolarHBondContact O-N 2.96Å; T285-H288 WeakPolarHBondContact OG1-CB 3.28Å; T285-H288 PolarHBondContact OG1-N 3.15Å; T285-I289 PolarHBondContact O-N 3.04Å
286Y94.4Very high95.7Very high72 Ų7242.1 Ų42.128%0.28219%0.192SC..Hα-helixtrans-55.9-49.6177.9-168.1-87.3000111H273 V276 H288 I289 Q290H273-Y286 PolarHBondContact ND1-OH 2.84Å; V276-Y286 HydrophobicContact CB-CD2 4.43Å; V276-Y286 HydrophobicContact CB-CE2 3.77Å; V276-Y286 HydrophobicContact CG1-CD1 4.13Å; V276-Y286 HydrophobicContact CG1-CD2 3.4Å; V276-Y286 VanDerWaalsContact CG1-CD2 3.4Å; V276-Y286 HydrophobicContact CG1-CE1 3.96Å; V276-Y286 HydrophobicContact CG1-CE2 3.21Å; V276-Y286 HydrophobicContact CG1-CG 3.85Å; V276-Y286 VanDerWaalsContact CG1-CZ 3.5Å; Y286-H288 VanDerWaalsContact C-N 3.33Å; Y286-H288 PolarHBondContact O-N 2.84Å; Y286-I289 WeakPolarHBondContact O-CB 3.43Å; Y286-I289 PolarHBondContact O-N 2.79Å; Y286-I289 VanDerWaalsContact O-N 3.14Å; Y286-Q290 HydrophobicContact CD1-CG 3.95Å; Y286-Q290 VanDerWaalsContact CE1-CD 3.48Å; Y286-Q290 HydrophobicContact CE1-CG 3.84Å; Y286-Q290 WeakPolarHBondContact O-CG 3.18Å; Y286-Q290 PolarHBondContact O-N 2.87Å
287T94.2Very high95.7Very high51 Ų5142.6 Ų42.631%0.31319%0.194SC..Hα-helixtrans-66.2-30.5179.1-39.40000113.5T285 I289 Q290 R291T285-T287 VanDerWaalsContact C-N 3.34Å; T285-T287 PolarHBondContact O-N 3.14Å; T287-I289 VanDerWaalsContact C-N 3.34Å; T287-Q290 PolarHBondContact O-N 3.43Å; T287-R291 VanDerWaalsContact CG2-NH1 3.26Å; T287-R291 WeakPolarHBondContact O-CG 3.24Å; T287-R291 PolarHBondContact O-N 2.94Å
288H95.2Very high95.7Very high39 Ų3935.7 Ų35.718%0.18116%0.164CC..Hα-helixtrans-61.4-46.2172.4174.396.6000110.8Y284 T285 Y286 Q290 R291 L292Y284-H288 AromaticContact CD1-CD2 3.39Å; Y284-H288 WeakPolarHBondContact CD1-CD2 3.25Å; Y284-H288 AromaticContact CD1-CE1 3.99Å; Y284-H288 AromaticContact CD1-NE2 3.29Å; Y284-H288 VanDerWaalsContact CD1-NE2 3.29Å; Y284-H288 WeakPolarHBondContact CD1-NE2 3.32Å; Y284-H288 AromaticContact CE1-NE2 3.73Å; Y284-H288 AromaticContact CG-CD2 3.85Å; T285-H288 WeakPolarHBondContact O-CB 3.39Å; T285-H288 PolarHBondContact O-N 2.96Å; T285-H288 WeakPolarHBondContact OG1-CB 3.28Å; T285-H288 PolarHBondContact OG1-N 3.15Å; Y286-H288 VanDerWaalsContact C-N 3.33Å; Y286-H288 PolarHBondContact O-N 2.84Å; H288-Q290 VanDerWaalsContact C-N 3.34Å; H288-Q290 PolarHBondContact O-N 3.28Å; H288-R291 PolarHBondContact O-N 3.43Å; H288-L292 WeakPolarHBondContact O-CB 3.45Å; H288-L292 PolarHBondContact O-N 3.42Å
289I97.7Very high95.7Very high0 Ų036.7 Ų36.70%017%0.17CC..Hα-helixtrans-63.5-43.2177.8-61.6168.8000110F258 V276 L279 K280 T285 Y286 T287 R291 L292 L293F258-I289 HydrophobicContact CZ-CG1 4.14Å; V276-I289 HydrophobicContact CB-CG2 4.39Å; V276-I289 HydrophobicContact CG1-CB 4.06Å; V276-I289 HydrophobicContact CG1-CD1 4.5Å; V276-I289 HydrophobicContact CG1-CG2 3.9Å; V276-I289 HydrophobicContact CG2-CG2 4.24Å; L279-I289 HydrophobicContact CB-CD1 4.19Å; L279-I289 HydrophobicContact CB-CG2 3.91Å; L279-I289 HydrophobicContact CD1-CG2 3.69Å; L279-I289 HydrophobicContact CG-CG2 4.5Å; K280-I289 HydrophobicContact CB-CD1 4.38Å; K280-I289 HydrophobicContact CD-CD1 4.03Å; T285-I289 PolarHBondContact O-N 3.04Å; Y286-I289 WeakPolarHBondContact O-CB 3.43Å; Y286-I289 PolarHBondContact O-N 2.79Å; Y286-I289 VanDerWaalsContact O-N 3.14Å; T287-I289 VanDerWaalsContact C-N 3.34Å; I289-R291 PolarHBondContact O-N 3.24Å; I289-L292 WeakPolarHBondContact O-CB 3.43Å; I289-L292 PolarHBondContact O-N 2.92Å; I289-L293 HydrophobicContact CG2-CD1 4.2Å; I289-L293 HydrophobicContact CG2-CG 4.3Å; I289-L293 VanDerWaalsContact O-CG 3.29Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 3.28Å
290Q98Very high95.7Very high16 Ų1636.8 Ų36.88%0.07517%0.17CC..Hα-helixtrans-55.5-48.7176.4-69-175.9-86.400112.5R44 G45 F272 V276 Y286 T287 H288 L293 M294R44-Q290 PolarHBondContact O-OE1 3.21Å; G45-Q290 WeakPolarHBondContact O-CB 3.29Å; F272-Q290 HydrophobicContact CE1-CG 3.97Å; F272-Q290 HydrophobicContact CZ-CB 4.36Å; F272-Q290 HydrophobicContact CZ-CG 4.17Å; V276-Q290 HydrophobicContact CG2-CG 4.27Å; Y286-Q290 HydrophobicContact CD1-CG 3.95Å; Y286-Q290 VanDerWaalsContact CE1-CD 3.48Å; Y286-Q290 HydrophobicContact CE1-CG 3.84Å; Y286-Q290 WeakPolarHBondContact O-CG 3.18Å; Y286-Q290 PolarHBondContact O-N 2.87Å; T287-Q290 PolarHBondContact O-N 3.43Å; H288-Q290 VanDerWaalsContact C-N 3.34Å; H288-Q290 PolarHBondContact O-N 3.28Å; Q290-L293 PolarHBondContact O-N 3.12Å; Q290-M294 PolarHBondContact O-N 3.32Å
291R97.5Very high95.8Very high21 Ų2136.5 Ų36.58%0.07917%0.169CC..Hα-helixtrans-63.6-42.1177.4-71.2-174.1-61.9-98.15.4112.6M43 S76 T287 H288 I289 L293 M294 N295M43-R291 VanDerWaalsContact O-CD 3.28Å; M43-R291 WeakPolarHBondContact O-CD 3.45Å; M43-R291 WeakPolarHBondContact O-CG 3.49Å; M43-R291 PolarHBondContact O-NH1 3.06Å; S76-R291 WeakPolarHBondContact O-CD 3.4Å; S76-R291 PolarHBondContact O-NE 3.01Å; T287-R291 VanDerWaalsContact CG2-NH1 3.26Å; T287-R291 WeakPolarHBondContact O-CG 3.24Å; T287-R291 PolarHBondContact O-N 2.94Å; H288-R291 PolarHBondContact O-N 3.43Å; I289-R291 PolarHBondContact O-N 3.24Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 3.25Å; R291-M294 PolarHBondContact O-N 3.27Å; R291-M294 VanDerWaalsContact O-N 3.12Å; R291-N295 PolarHBondContact O-N 3.3Å; R291-N295 PolarHBondContact O-ND2 3.46Å
292L97.6Very high95.9Very high0 Ų037.6 Ų37.60%018%0.177CC..Hα-helixtrans-56.7-45.2174.7179.6161.7000110.8T253 V254 F258 L262 H288 I289 M294 N295 V296T253-L292 WeakPolarHBondContact OG1-CA 3.2Å; T253-L292 WeakPolarHBondContact OG1-CB 3.43Å; V254-L292 HydrophobicContact CG2-CD1 3.99Å; V254-L292 HydrophobicContact CG2-CD2 3.98Å; V254-L292 HydrophobicContact CG2-CG 3.85Å; F258-L292 HydrophobicContact CD1-CD1 3.52Å; F258-L292 HydrophobicContact CD1-CD2 4.14Å; F258-L292 HydrophobicContact CE1-CD1 3.51Å; F258-L292 HydrophobicContact CE1-CD2 3.83Å; F258-L292 HydrophobicContact CE1-CG 4.35Å; F258-L292 HydrophobicContact CG-CD1 4.36Å; F258-L292 HydrophobicContact CZ-CD1 4.36Å; L262-L292 HydrophobicContact CD1-CD2 4.11Å; L262-L292 HydrophobicContact CD2-CD2 4.13Å; H288-L292 WeakPolarHBondContact O-CB 3.45Å; H288-L292 PolarHBondContact O-N 3.42Å; I289-L292 WeakPolarHBondContact O-CB 3.43Å; I289-L292 PolarHBondContact O-N 2.92Å; L292-M294 VanDerWaalsContact C-N 3.32Å; L292-M294 PolarHBondContact O-N 3.17Å; L292-N295 WeakPolarHBondContact O-CB 3.47Å; L292-N295 PolarHBondContact O-N 3.14Å; L292-N295 VanDerWaalsContact O-N 3.12Å; L292-V296 HydrophobicContact CD2-CG2 4.09Å; L292-V296 WeakPolarHBondContact O-CG2 3.22Å; L292-V296 PolarHBondContact O-N 2.9Å
293L98.5Very high96.2Very high0 Ų034.2 Ų34.20%017%0.172CC..Hα-helixtrans-63.2-36.8176.8-67.8-179.4000112.6L236 I240 L262 F272 F275 V276 L279 I289 Q290 R291 V296 L297L236-L293 HydrophobicContact CD1-CB 4.38Å; L236-L293 VanDerWaalsContact CD1-O 3.27Å; L236-L293 WeakPolarHBondContact CD1-O 3.42Å; L236-L293 HydrophobicContact CD2-CB 3.83Å; L236-L293 HydrophobicContact CD2-CD1 4.14Å; L236-L293 HydrophobicContact CD2-CD2 4.23Å; L236-L293 HydrophobicContact CD2-CG 4.28Å; I240-L293 HydrophobicContact CD1-CD2 4.23Å; L262-L293 HydrophobicContact CD2-CD2 3.72Å; F272-L293 HydrophobicContact CD2-CD1 4.38Å; F272-L293 HydrophobicContact CE2-CB 4.07Å; F272-L293 HydrophobicContact CE2-CD1 3.71Å; F272-L293 HydrophobicContact CZ-CB 4.43Å; F272-L293 HydrophobicContact CZ-CD1 3.94Å; F275-L293 HydrophobicContact CD1-CD1 3.9Å; F275-L293 HydrophobicContact CD1-CD2 4.02Å; F275-L293 HydrophobicContact CE1-CD1 4.28Å; F275-L293 HydrophobicContact CE1-CD2 3.52Å; F275-L293 HydrophobicContact CZ-CD2 4.47Å; V276-L293 HydrophobicContact CG2-CD1 3.71Å; L279-L293 HydrophobicContact CD1-CD1 4.31Å; L279-L293 HydrophobicContact CD1-CD2 3.95Å; L279-L293 HydrophobicContact CD1-CG 4.45Å; I289-L293 HydrophobicContact CG2-CD1 4.2Å; I289-L293 HydrophobicContact CG2-CG 4.3Å; I289-L293 VanDerWaalsContact O-CG 3.29Å; I289-L293 WeakPolarHBondContact O-CG 3.36Å; I289-L293 PolarHBondContact O-N 3.28Å; Q290-L293 PolarHBondContact O-N 3.12Å; R291-L293 VanDerWaalsContact C-N 3.28Å; R291-L293 PolarHBondContact O-N 3.25Å; L293-V296 PolarHBondContact O-N 2.97Å; L293-L297 PolarHBondContact O-N 3.31Å
294M98.4Very high96.5Very high0 Ų030.7 Ų30.70%016%0.162CC..Hα-helixtrans-67.9-37.5172.1-63.8-57.2100.200112F41 G45 L75 I232 F272 Q290 R291 L292 V296 L297 L298F41-M294 HydrophobicContact CD1-CG 4.27Å; F41-M294 HydrophobicContact CD1-SD 3.68Å; F41-M294 HydrophobicContact CE1-SD 3.88Å; G45-M294 VanDerWaalsContact C-CG 3.42Å; G45-M294 VanDerWaalsContact O-CG 3.31Å; G45-M294 WeakPolarHBondContact O-CG 3.4Å; L75-M294 HydrophobicContact CD1-CB 3.77Å; L75-M294 HydrophobicContact CD2-CB 3.54Å; L75-M294 HydrophobicContact CD2-CG 4Å; L75-M294 HydrophobicContact CG-CB 4.29Å; I232-M294 HydrophobicContact CG2-CE 4.15Å; F272-M294 HydrophobicContact CE2-CE 3.56Å; F272-M294 HydrophobicContact CZ-CE 4.04Å; Q290-M294 PolarHBondContact O-N 3.32Å; R291-M294 PolarHBondContact O-N 3.27Å; R291-M294 VanDerWaalsContact O-N 3.12Å; L292-M294 VanDerWaalsContact C-N 3.32Å; L292-M294 PolarHBondContact O-N 3.17Å; M294-V296 VanDerWaalsContact C-N 3.29Å; M294-V296 PolarHBondContact O-N 2.95Å; M294-L297 PolarHBondContact O-N 2.93Å; M294-L297 HydrophobicContact SD-CD2 4.22Å; M294-L298 WeakPolarHBondContact O-CB 3.42Å; M294-L298 VanDerWaalsContact O-CG 3.32Å; M294-L298 WeakPolarHBondContact O-CG 3.5Å; M294-L298 PolarHBondContact O-N 2.95Å
295N98.4Very high96.5Very high0 Ų031 Ų310%017%0.167CC..Hα-helixtrans-62.7-35.7173.1-71.9-41000111.8L75 I251 Y252 T253 R291 L292 N299 I300L75-N295 WeakPolarHBondContact CB-OD1 3.46Å; L75-N295 PolarHBondContact O-ND2 2.66Å; L75-N295 VanDerWaalsContact O-ND2 3.13Å; I251-N295 HydrophobicContact CG2-CB 3.84Å; Y252-N295 WeakPolarHBondContact O-CB 3.46Å; T253-N295 PolarHBondContact OG1-ND2 2.88Å; R291-N295 PolarHBondContact O-N 3.3Å; R291-N295 PolarHBondContact O-ND2 3.46Å; L292-N295 WeakPolarHBondContact O-CB 3.47Å; L292-N295 PolarHBondContact O-N 3.14Å; L292-N295 VanDerWaalsContact O-N 3.12Å; N295-N299 WeakPolarHBondContact O-CA 3.39Å; N295-N299 PolarHBondContact O-N 3.02Å; N295-I300 HydrophobicContact CB-CB 4.37Å; N295-I300 PolarHBondContact O-N 3.5Å
296V98.4Very high96.2Very high0 Ų032 Ų320%017%0.172CC..Hα-helixtrans-65.4-50.8172.1174.10000110.9L236 Q239 I240 M243 L248 I251 L262 L292 L293 M294 L298 N299L236-V296 HydrophobicContact CD1-CB 4.13Å; L236-V296 HydrophobicContact CD1-CG1 4Å; Q239-V296 HydrophobicContact CG-CG1 4.09Å; I240-V296 HydrophobicContact CD1-CG1 4.44Å; I240-V296 HydrophobicContact CG1-CG1 3.72Å; M243-V296 HydrophobicContact SD-CG1 4.3Å; L248-V296 HydrophobicContact CD2-CG1 3.94Å; L248-V296 HydrophobicContact CD2-CG2 4.31Å; I251-V296 HydrophobicContact CB-CG2 4.44Å; I251-V296 HydrophobicContact CG1-CG2 4.39Å; I251-V296 HydrophobicContact CG2-CG2 3.86Å; L262-V296 HydrophobicContact CD1-CG2 4.22Å; L292-V296 HydrophobicContact CD2-CG2 4.09Å; L292-V296 WeakPolarHBondContact O-CG2 3.22Å; L292-V296 PolarHBondContact O-N 2.9Å; L293-V296 PolarHBondContact O-N 2.97Å; M294-V296 VanDerWaalsContact C-N 3.29Å; M294-V296 PolarHBondContact O-N 2.95Å; V296-L298 PolarHBondContact O-N 2.94Å; V296-N299 PolarHBondContact O-N 2.84Å
297L98.3Very high95.8Very high9 Ų932 Ų325%0.04718%0.183CC..Hα-helixtrans-54-44177.8178.670.5000111.5F41 I232 L236 L293 M294 N299 I358 I362F41-L297 HydrophobicContact CE1-CD2 3.78Å; F41-L297 HydrophobicContact CZ-CD2 4.08Å; I232-L297 HydrophobicContact CD1-CD2 4.31Å; I232-L297 HydrophobicContact CG2-CD1 4.39Å; I232-L297 HydrophobicContact CG2-CD2 3.57Å; L236-L297 HydrophobicContact CB-CD1 4.35Å; L236-L297 HydrophobicContact CD1-CB 4.22Å; L293-L297 PolarHBondContact O-N 3.31Å; M294-L297 PolarHBondContact O-N 2.93Å; M294-L297 HydrophobicContact SD-CD2 4.22Å; L297-N299 VanDerWaalsContact C-N 3.31Å; L297-I358 HydrophobicContact CD1-CG2 4.35Å; L297-I358 HydrophobicContact CD2-CG2 4.32Å; L297-I358 HydrophobicContact CG-CG2 4.08Å; L297-I362 HydrophobicContact CD2-CD1 4.5Å
298L98Very high95.7Very high1 Ų133.7 Ų33.71%0.00519%0.19CC..THydrogen-bonded Turntrans-84.9-3.6-178.8-63.8-176.7000113.9F41 L75 M294 V296 I300 K354 A355 I358F41-L298 HydrophobicContact CD2-CD1 3.77Å; F41-L298 HydrophobicContact CD2-CD2 4.23Å; F41-L298 HydrophobicContact CD2-CG 4.47Å; F41-L298 HydrophobicContact CE2-CD1 4.05Å; F41-L298 HydrophobicContact CE2-CD2 3.63Å; F41-L298 HydrophobicContact CE2-CG 4.29Å; F41-L298 HydrophobicContact CG-CD1 4.11Å; F41-L298 HydrophobicContact CZ-CD2 3.83Å; F41-L298 HydrophobicContact CZ-CG 4.45Å; L75-L298 HydrophobicContact CD1-CD1 3.46Å; L75-L298 VanDerWaalsContact CD1-CD1 3.46Å; M294-L298 WeakPolarHBondContact O-CB 3.42Å; M294-L298 VanDerWaalsContact O-CG 3.32Å; M294-L298 WeakPolarHBondContact O-CG 3.5Å; M294-L298 PolarHBondContact O-N 2.95Å; V296-L298 PolarHBondContact O-N 2.94Å; L298-I300 VanDerWaalsContact C-N 3.26Å; L298-I300 HydrophobicContact CB-CD1 3.82Å; L298-I300 HydrophobicContact CB-CG1 3.75Å; L298-I300 HydrophobicContact CD1-CD1 3.83Å; L298-I300 HydrophobicContact CG-CD1 4.5Å; L298-I300 PolarHBondContact O-N 3.38Å; L298-K354 WeakPolarHBondContact O-CD 3.46Å; L298-K354 WeakPolarHBondContact O-CE 3.28Å; L298-K354 PolarHBondContact O-NZ 3.35Å; L298-A355 HydrophobicContact CD1-CB 4.14Å; L298-A355 HydrophobicContact CD2-CB 4.07Å; L298-I358 HydrophobicContact CD2-CB 4.07Å; L298-I358 HydrophobicContact CD2-CD1 3.66Å; L298-I358 HydrophobicContact CD2-CG1 4.45Å; L298-I358 HydrophobicContact CD2-CG2 4.08Å
299N97.4Very high95.8Very high57 Ų5732.9 Ų32.931%0.30519%0.187SC..THydrogen-bonded Turntrans46.651.8-173.7-170.222.3000111.4I251 N295 V296 L297 K354I251-N299 VanDerWaalsContact CD1-OD1 3.28Å; I251-N299 WeakPolarHBondContact CD1-OD1 3.1Å; N295-N299 WeakPolarHBondContact O-CA 3.39Å; N295-N299 PolarHBondContact O-N 3.02Å; V296-N299 PolarHBondContact O-N 2.84Å; L297-N299 VanDerWaalsContact C-N 3.31Å; N299-K354 PolarHBondContact O-NZ 3.19Å
300I97.4Very high95.7Very high1 Ų138 Ų381%0.00521%0.211CC..  trans-86.9126.7176.7-66.9173.1000107.7T72 L75 Y252 N295 L298 D304T72-I300 HydrophobicContact CG2-CG2 3.97Å; L75-I300 HydrophobicContact CD1-CD1 4.02Å; Y252-I300 WeakPolarHBondContact CB-O 3.34Å; Y252-I300 HydrophobicContact CD1-CG2 4.25Å; Y252-I300 HydrophobicContact CG-CG2 4.39Å; Y252-I300 PolarHBondContact N-O 3.4Å; N295-I300 HydrophobicContact CB-CB 4.37Å; N295-I300 PolarHBondContact O-N 3.5Å; L298-I300 VanDerWaalsContact C-N 3.26Å; L298-I300 HydrophobicContact CB-CD1 3.82Å; L298-I300 HydrophobicContact CB-CG1 3.75Å; L298-I300 HydrophobicContact CD1-CD1 3.83Å; L298-I300 HydrophobicContact CG-CD1 4.5Å; L298-I300 PolarHBondContact O-N 3.38Å; I300-D304 HydrophobicContact CG2-CB 4.22Å
301K96.7Very high95.7Very high80 Ų8038 Ų3835%0.34821%0.213SC..  trans-105.5159.9-179.1-60.5-179.1-178.6178.10110.9T303 D304K301-T303 PolarHBondContact O-N 3.45Å; K301-T303 VanDerWaalsContact O-N 3.16Å; K301-D304 PolarHBondContact N-OD2 2.58Å; K301-D304 VanDerWaalsContact O-CB 3.27Å; K301-D304 WeakPolarHBondContact O-CB 3.22Å; K301-D304 PolarHBondContact O-N 2.65Å
302P95.2Very high95.8Very high66 Ų6637.1 Ų37.143%0.42921%0.21SC..G310 helixtrans-54.1-33.7173.2-27.235.5000113.6N250 D304 V305N250-P302 WeakPolarHBondContact O-CD 2.98Å; P302-D304 PolarHBondContact O-N 2.94Å; P302-V305 PolarHBondContact O-N 3.05Å
303T95.1Very high95.8Very high116 Ų11637.3 Ų37.371%0.71221%0.211SC*.G310 helixtrans-67.6-18176.853.80000114.1K301 V305K301-T303 PolarHBondContact O-N 3.45Å; K301-T303 VanDerWaalsContact O-N 3.16Å; T303-V305 VanDerWaalsContact C-N 3.32Å
304D95.2Very high95.8Very high44 Ų4437.3 Ų37.324%0.23521%0.211CC..G310 helixtrans-81.6-16.1177.5-64.2-31.8000112T72 I300 K301 P302 T306T72-D304 HydrophobicContact CG2-CB 4.48Å; I300-D304 HydrophobicContact CG2-CB 4.22Å; K301-D304 PolarHBondContact N-OD2 2.58Å; K301-D304 VanDerWaalsContact O-CB 3.27Å; K301-D304 WeakPolarHBondContact O-CB 3.22Å; K301-D304 PolarHBondContact O-N 2.65Å; P302-D304 PolarHBondContact O-N 2.94Å; D304-T306 PolarHBondContact O-N 2.67Å
305V92.3Very high95.8Very high33 Ų3337.4 Ų37.420%0.221%0.211CC..  trans-85.5111.2-176.9-175.40000109.4T72 H80 Y252 P302 T303T72-V305 HydrophobicContact CG2-CG2 4.07Å; H80-V305 WeakPolarHBondContact NE2-CG1 3.47Å; Y252-V305 HydrophobicContact CD1-CG2 3.98Å; Y252-V305 HydrophobicContact CD2-CG2 3.65Å; Y252-V305 HydrophobicContact CE1-CG2 4.07Å; Y252-V305 HydrophobicContact CE2-CG2 3.74Å; Y252-V305 HydrophobicContact CG-CG2 3.79Å; P302-V305 PolarHBondContact O-N 3.05Å; T303-V305 VanDerWaalsContact C-N 3.32Å
306T86.9Confident95.9Very high65 Ų6537.4 Ų37.440%0.39921%0.211SC..  trans-93.5143.5174.966.80000110.8D304 N308D304-T306 PolarHBondContact O-N 2.67Å; T306-N308 PolarHBondContact OG1-O 3.33Å
307S85.7Confident95.9Very high73 Ų7338 Ų3851%0.5121%0.214SC..SBendtrans-83-16.9172.161.20000113K87K87-S307 WeakPolarHBondContact CD-O 3.4Å; K87-S307 PolarHBondContact NZ-O 3.39Å
308N92.3Very high95.9Very high86 Ų8637.6 Ų37.646%0.4621%0.212SC..SBendtrans-119.2149.4-172.9-63.6-27000110.8T306T306-N308 PolarHBondContact OG1-O 3.33Å
309I96.7Very high95.8Very high23 Ų2339.8 Ų39.812%0.11822%0.224CC..  trans-95.7112.6174.9-54.8-56.5000107.9P70 L84 K87 V88 Y91 V312P70-I309 HydrophobicContact CG-CD1 4.22Å; L84-I309 HydrophobicContact CD2-CD1 4.39Å; K87-I309 HydrophobicContact CB-CG1 3.76Å; V88-I309 HydrophobicContact CG2-CD1 3.65Å; V88-I309 HydrophobicContact CG2-CG1 3.89Å; V88-I309 HydrophobicContact CG2-CG2 4.29Å; Y91-I309 HydrophobicContact CD1-CG2 4.45Å; Y91-I309 HydrophobicContact CD2-CB 4Å; Y91-I309 HydrophobicContact CD2-CG2 3.73Å; Y91-I309 WeakPolarHBondContact CD2-O 3.14Å; Y91-I309 HydrophobicContact CE2-CG2 4.2Å; Y91-I309 WeakPolarHBondContact CE2-O 3.18Å; Y91-I309 HydrophobicContact CG-CB 4.44Å; Y91-I309 HydrophobicContact CG-CG2 3.86Å; I309-V312 HydrophobicContact CG2-CG1 3.78Å
310H96.5Very high95.9Very high108 Ų10842.8 Ų42.850%0.523%0.231SC..  trans-95.6-30.5-179.9-65.7-68.6000112.7Y91 Y348Y91-H310 PolarHBondContact OH-O 2.81Å; H310-Y348 HydrophobicContact CB-CD1 3.95Å; H310-Y348 HydrophobicContact CB-CE1 3.91Å
311A98.2Very high95.9Very high14 Ų1442.7 Ų42.712%0.11623%0.231CC..EExtended strand (participates in β ladder)trans-149.9160.4175.800000109.8Q336 I338 Y348 F349A311-Q336 WeakPolarHBondContact CA-O 3.25Å; A311-Q336 HydrophobicContact CB-CB 3.6Å; A311-I338 HydrophobicContact CB-CG1 4.37Å; A311-Y348 HydrophobicContact CB-CD1 3.93Å; A311-Y348 HydrophobicContact CB-CD2 3.94Å; A311-Y348 HydrophobicContact CB-CE1 4.49Å; A311-Y348 HydrophobicContact CB-CG 3.63Å; A311-F349 HydrophobicContact CB-CE1 4.4Å; A311-F349 HydrophobicContact CB-CE2 4.32Å; A311-F349 HydrophobicContact CB-CZ 3.73Å
312V98.5Very high96Very high3 Ų342.8 Ų42.82%0.01823%0.229CC..EExtended strand (participates in β ladder)trans-126.6140.6173.6-66.30000109.6I67 V88 Y91 M92 I309 Q336 Y337 I338I67-V312 HydrophobicContact CG2-CB 3.94Å; I67-V312 HydrophobicContact CG2-CG1 4.35Å; V88-V312 HydrophobicContact CG1-CG1 4.17Å; Y91-V312 HydrophobicContact CD1-CB 4.39Å; Y91-V312 HydrophobicContact CD1-CG1 3.55Å; Y91-V312 HydrophobicContact CD1-CG2 3.95Å; Y91-V312 HydrophobicContact CE1-CG1 4.01Å; Y91-V312 HydrophobicContact CE1-CG2 3.9Å; Y91-V312 HydrophobicContact CG-CG1 4.13Å; M92-V312 HydrophobicContact SD-CB 4.44Å; M92-V312 HydrophobicContact SD-CG2 3.67Å; I309-V312 HydrophobicContact CG2-CG1 3.78Å; V312-Q336 PolarHBondContact N-O 2.88Å; V312-Y337 HydrophobicContact CG2-CD1 3.55Å; V312-Y337 HydrophobicContact CG2-CE1 4.14Å; V312-Y337 HydrophobicContact CG2-CG 4.43Å; V312-I338 PolarHBondContact O-N 3.49Å
313K98.5Very high96.1Very high4 Ų445.1 Ų45.12%0.01723%0.234CC..EExtended strand (participates in β ladder)trans-97.9125175.4-179.3170.2179.4168.80110.4I67 E68 L315 I338 I341 F349 D369I67-K313 WeakPolarHBondContact CA-O 3.37Å; E68-K313 HydrophobicContact CB-CB 4.17Å; E68-K313 PolarHBondContact N-O 2.88Å; E68-K313 WeakPolarHBondContact OE2-CD 3.47Å; K313-L315 HydrophobicContact CD-CD2 4.26Å; K313-L315 HydrophobicContact CG-CD2 4.4Å; K313-I338 CarbonylContact C-O 3.57Å; K313-I338 WeakPolarHBondContact CA-O 3.43Å; K313-I341 HydrophobicContact CD-CD1 4.11Å; K313-I341 HydrophobicContact CD-CG1 4.02Å; K313-F349 HydrophobicContact CB-CD1 4.07Å; K313-F349 HydrophobicContact CB-CE1 3.61Å; K313-F349 HydrophobicContact CB-CZ 3.89Å; K313-D369 IonicContact NZ-OD1 2.58Å; K313-D369 PolarHBondContact NZ-OD1 3.01Å
314V98.7Very high96.3Very high0 Ų039.8 Ų39.80%020%0.201CC..EExtended strand (participates in β ladder)trans-86.5116.4171.5-174.20000108.5L65 I67 M317 L325 I338 T339 V374L65-V314 HydrophobicContact CD1-CG1 3.6Å; I67-V314 HydrophobicContact CD1-CB 4.33Å; I67-V314 HydrophobicContact CD1-CG1 4.45Å; I67-V314 HydrophobicContact CD1-CG2 3.8Å; V314-M317 HydrophobicContact CG1-SD 4.45Å; V314-L325 HydrophobicContact CG2-CD1 4.32Å; V314-L325 HydrophobicContact CG2-CD2 4.07Å; V314-I338 PolarHBondContact N-O 3.26Å; V314-T339 HydrophobicContact CB-CG2 4.11Å; V314-T339 HydrophobicContact CG2-CG2 4.25Å; V314-V374 HydrophobicContact CB-CG2 4.43Å; V314-V374 HydrophobicContact CG1-CG2 3.83Å
315L98.7Very high96.4Very high3 Ų338 Ų382%0.01619%0.191CC..EExtended strand (participates in β ladder)trans-86.8-40.5177.5-66.2175.1000111.9M37 K52 F53 A56 V66 E68 K313 I375M37-L315 HydrophobicContact CE-CD1 3.71Å; K52-L315 HydrophobicContact CB-CD1 4.26Å; K52-L315 HydrophobicContact CD-CD2 4.13Å; K52-L315 HydrophobicContact CG-CD2 4.33Å; F53-L315 HydrophobicContact CD1-CD2 4.41Å; F53-L315 HydrophobicContact CE1-CD2 4.29Å; A56-L315 HydrophobicContact CB-CB 3.64Å; A56-L315 HydrophobicContact CB-CD1 4.26Å; V66-L315 HydrophobicContact CB-CB 4.47Å; V66-L315 HydrophobicContact CG1-CB 4.27Å; V66-L315 HydrophobicContact CG1-CD1 4.37Å; V66-L315 PolarHBondContact O-N 2.69Å; E68-L315 HydrophobicContact CB-CD1 3.82Å; E68-L315 HydrophobicContact CB-CD2 4.27Å; E68-L315 HydrophobicContact CB-CG 3.92Å; E68-L315 HydrophobicContact CG-CD1 4.31Å; K313-L315 HydrophobicContact CD-CD2 4.26Å; K313-L315 HydrophobicContact CG-CD2 4.4Å; L315-I375 PolarHBondContact O-N 3.34Å
316A98.6Very high96.7Very high0 Ų043.8 Ų43.80%021%0.214CC..EExtended strand (participates in β ladder)trans-153150.1-176.400000111.8A56 L60 V66 I375A56-A316 HydrophobicContact CB-CB 3.88Å; L60-A316 HydrophobicContact CD1-CB 4.26Å; L60-A316 HydrophobicContact CD2-CB 4.23Å; V66-A316 HydrophobicContact CB-CB 4.07Å; V66-A316 HydrophobicContact CG2-CB 4.01Å; V66-A316 PolarHBondContact N-O 3.33Å; V66-A316 PolarHBondContact O-N 3.26Å; A316-I375 CarbonylContact C-O 3.6Å; A316-I375 VanDerWaalsContact CA-O 3.22Å; A316-I375 WeakPolarHBondContact CA-O 3.32Å; A316-I375 HydrophobicContact CB-CB 3.84Å; A316-I375 HydrophobicContact CB-CG2 4.33Å
317M98.3Very high97.2Very high11 Ų1145.1 Ų45.15%0.05422%0.215CC..EExtended strand (participates in β ladder)trans-156.1149.817562.5-175.2174.700112.8D64 L65 V314 R322 L325 T339 V374 I375 Q376 Q377D64-M317 WeakPolarHBondContact O-CA 3.37Å; L65-M317 HydrophobicContact CD1-CB 3.69Å; V314-M317 HydrophobicContact CG1-SD 4.45Å; M317-R322 HydrophobicContact SD-CB 4.19Å; M317-R322 HydrophobicContact SD-CG 4.47Å; M317-L325 HydrophobicContact SD-CD2 4.06Å; M317-T339 HydrophobicContact CE-CG2 4.47Å; M317-V374 HydrophobicContact CE-CG1 4.05Å; M317-V374 HydrophobicContact CE-CG2 4.19Å; M317-V374 HydrophobicContact CG-CG2 4.19Å; M317-I375 PolarHBondContact N-O 3.36Å; M317-Q376 HydrophobicContact CE-CG 4.27Å; M317-Q376 WeakPolarHBondContact O-CA 3.32Å; M317-Q377 PolarHBondContact O-N 3.09Å
318N98.3Very high97.8Very high2 Ų241.7 Ų41.71%0.01119%0.191CC..EExtended strand (participates in β ladder)trans-102.2-170.6167.67314.9000110.1L60 D64 R320 G321 R322 Q377L60-N318 HydrophobicContact CD1-CB 4.24Å; D64-N318 WeakPolarHBondContact CA-ND2 3.44Å; D64-N318 PolarHBondContact O-N 3.1Å; D64-N318 PolarHBondContact O-OD1 3.28Å; D64-N318 PolarHBondContact OD1-ND2 3.39Å; N318-R320 PolarHBondContact O-N 3.29Å; N318-R320 WeakPolarHBondContact OD1-CA 3.3Å; N318-R320 WeakPolarHBondContact OD1-CB 3.19Å; N318-R320 PolarHBondContact OD1-N 3.34Å; N318-G321 PolarHBondContact O-N 3.43Å; N318-G321 PolarHBondContact OD1-N 2.9Å; N318-R322 WeakPolarHBondContact O-CB 3.34Å; N318-R322 PolarHBondContact O-N 3.29Å; N318-Q377 VanDerWaalsContact CA-O 3.27Å; N318-Q377 WeakPolarHBondContact CA-O 3.44Å; N318-Q377 WeakPolarHBondContact CB-O 3.42Å
319D97.8Very high98.1Very high46 Ų4642.1 Ų42.125%0.24619%0.189CC..Hα-helixtrans-64.5-36.8-179-64-47000113.8R322 Q323 Y378 R379D319-R322 PolarHBondContact O-N 2.95Å; D319-R322 IonicContact OD1-NE 3.08Å; D319-Q323 VanDerWaalsContact O-CG 3.27Å; D319-Q323 WeakPolarHBondContact O-CG 3.4Å; D319-Q323 PolarHBondContact O-N 3Å; D319-Y378 WeakPolarHBondContact OD2-CA 3.39Å; D319-R379 PolarHBondContact OD2-N 3.21Å
320R97.9Very high98.1Very high120 Ų12046.2 Ų46.245%0.45322%0.215SC..Hα-helixtrans-66.7-44.5173.9-66-172.4-179.7100.73.2111.4D64 N318 R322 Q323 Y324D64-R320 HydrophobicContact CB-CB 4.18Å; N318-R320 PolarHBondContact O-N 3.29Å; N318-R320 WeakPolarHBondContact OD1-CA 3.3Å; N318-R320 WeakPolarHBondContact OD1-CB 3.19Å; N318-R320 PolarHBondContact OD1-N 3.34Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 2.91Å; R320-Q323 PolarHBondContact O-N 3.23Å; R320-Y324 PolarHBondContact O-N 3.27Å
321G98.3Very high98.2Very high0 Ų043.4 Ų43.40%021%0.211CC..Hα-helixtrans-60.8-39.3175.200000112.4D64 N318 Y324 L325D64-G321 WeakPolarHBondContact O-CA 3.36Å; N318-G321 PolarHBondContact O-N 3.43Å; N318-G321 PolarHBondContact OD1-N 2.9Å; G321-Y324 PolarHBondContact O-N 2.81Å; G321-L325 WeakPolarHBondContact O-CB 3.47Å; G321-L325 PolarHBondContact O-N 3.28Å
322R97.7Very high98.1Very high81 Ų8145.6 Ų45.631%0.30622%0.218SC..Hα-helixtrans-64.9-44.7175.2-172.5-168.8-52.9-142.6-5.5112.1M317 N318 D319 R320 Y324 L325 K326 Y378M317-R322 HydrophobicContact SD-CB 4.19Å; M317-R322 HydrophobicContact SD-CG 4.47Å; N318-R322 WeakPolarHBondContact O-CB 3.34Å; N318-R322 PolarHBondContact O-N 3.29Å; D319-R322 PolarHBondContact O-N 2.95Å; D319-R322 IonicContact OD1-NE 3.08Å; R320-R322 VanDerWaalsContact C-N 3.3Å; R320-R322 PolarHBondContact O-N 2.91Å; R322-Y324 VanDerWaalsContact C-N 3.34Å; R322-L325 PolarHBondContact O-N 2.84Å; R322-K326 PolarHBondContact O-N 3.36Å; R322-Y378 PolarHBondContact NH1-OH 3.09Å; R322-Y378 PolarHBondContact NH2-OH 2.78Å
323Q98Very high98.1Very high116 Ų11650.2 Ų50.254%0.54225%0.248SC..Hα-helixtrans-60.8-44.6175.7-73.8171.76.100111.2M1 D319 R320 K326 H327M1-Q323 HydrophobicContact CE-CB 4.25Å; M1-Q323 HydrophobicContact SD-CB 4.2Å; D319-Q323 VanDerWaalsContact O-CG 3.27Å; D319-Q323 WeakPolarHBondContact O-CG 3.4Å; D319-Q323 PolarHBondContact O-N 3Å; R320-Q323 PolarHBondContact O-N 3.23Å; Q323-K326 PolarHBondContact O-N 3.05Å; Q323-H327 PolarHBondContact O-N 3.2Å
324Y98.5Very high98Very high3 Ų355.7 Ų55.71%0.01227%0.273CS..Hα-helixtrans-62.3-44.8175.5-174.5-106.4000112.2M1 S3 V32 I34 L65 M92 S93 R320 G321 R322 K326 H327 L328M1-Y324 HydrophobicContact CB-CD2 4.03Å; M1-Y324 HydrophobicContact SD-CD2 4.46Å; S3-Y324 PolarHBondContact OG-OH 3.33Å; V32-Y324 HydrophobicContact CB-CG 4.47Å; V32-Y324 HydrophobicContact CG1-CD1 4.29Å; V32-Y324 HydrophobicContact CG1-CD2 3.59Å; V32-Y324 HydrophobicContact CG1-CE2 3.97Å; V32-Y324 HydrophobicContact CG1-CG 3.75Å; V32-Y324 HydrophobicContact CG2-CG 4.3Å; I34-Y324 HydrophobicContact CD1-CD1 3.79Å; I34-Y324 HydrophobicContact CD1-CE1 3.25Å; I34-Y324 HydrophobicContact CG1-CE1 4.42Å; L65-Y324 HydrophobicContact CD2-CD1 4.15Å; M92-Y324 HydrophobicContact CE-CE1 4.5Å; M92-Y324 PolarHBondContact O-OH 2.87Å; S93-Y324 PolarHBondContact O-OH 3.2Å; R320-Y324 PolarHBondContact O-N 3.27Å; G321-Y324 PolarHBondContact O-N 2.81Å; R322-Y324 VanDerWaalsContact C-N 3.34Å; Y324-K326 VanDerWaalsContact C-N 3.3Å; Y324-K326 PolarHBondContact O-N 3.17Å; Y324-H327 WeakPolarHBondContact O-CB 3.48Å; Y324-H327 PolarHBondContact O-N 3.37Å; Y324-H327 VanDerWaalsContact O-N 3.13Å; Y324-L328 HydrophobicContact CD1-CD1 3.95Å; Y324-L328 HydrophobicContact CD1-CG 4.17Å; Y324-L328 HydrophobicContact CE1-CD1 3.46Å; Y324-L328 VanDerWaalsContact CE1-CD1 3.46Å; Y324-L328 HydrophobicContact CE1-CD2 4.13Å; Y324-L328 HydrophobicContact CE1-CG 3.79Å; Y324-L328 PolarHBondContact O-N 3.3Å
325L98.1Very high98Very high7 Ų758 Ų584%0.03728%0.282CS..Hα-helixtrans-62.3-38177.3-168.364.5000112.3M92 V314 M317 G321 R322 L328 K329 Y337 T339M92-L325 HydrophobicContact CE-CD1 4.44Å; V314-L325 HydrophobicContact CG2-CD1 4.32Å; V314-L325 HydrophobicContact CG2-CD2 4.07Å; M317-L325 HydrophobicContact SD-CD2 4.06Å; G321-L325 WeakPolarHBondContact O-CB 3.47Å; G321-L325 PolarHBondContact O-N 3.28Å; R322-L325 PolarHBondContact O-N 2.84Å; L325-L328 PolarHBondContact O-N 3.37Å; L325-K329 WeakPolarHBondContact O-CG 3.4Å; L325-K329 PolarHBondContact O-N 3.25Å; L325-Y337 HydrophobicContact CD1-CD1 3.9Å; L325-Y337 HydrophobicContact CD1-CG 3.92Å; L325-T339 HydrophobicContact CD2-CG2 4.15Å
326K97.9Very high98Very high155 Ų15561.4 Ų61.467%0.67430%0.298SS*.Hα-helixtrans-62.4-45.6173.1-177.4-179.3177.5-177.60110.8R322 Q323 Y324 L328 K329 T330R322-K326 PolarHBondContact O-N 3.36Å; Q323-K326 PolarHBondContact O-N 3.05Å; Y324-K326 VanDerWaalsContact C-N 3.3Å; Y324-K326 PolarHBondContact O-N 3.17Å; K326-L328 VanDerWaalsContact C-N 3.35Å; K326-L328 PolarHBondContact O-N 3.17Å; K326-K329 PolarHBondContact O-N 3.11Å; K326-T330 PolarHBondContact O-N 3.03Å; K326-T330 VanDerWaalsContact O-N 3.15Å; K326-T330 PolarHBondContact O-OG1 3.49Å
327H98Very high97.9Very high92 Ų9261.9 Ų61.943%0.42630%0.3SS..Hα-helixtrans-57.6-46.3175.8171.667.5000111.8Q323 Y324 K329 T330 A331Q323-H327 PolarHBondContact O-N 3.2Å; Y324-H327 WeakPolarHBondContact O-CB 3.48Å; Y324-H327 PolarHBondContact O-N 3.37Å; Y324-H327 VanDerWaalsContact O-N 3.13Å; H327-K329 PolarHBondContact O-N 2.83Å; H327-T330 PolarHBondContact O-N 3.18Å; H327-A331 PolarHBondContact O-N 3.05Å
328L98.3Very high97.9Very high1 Ų162.1 Ų62.11%0.00530%0.301CS..Hα-helixtrans-61.2-44176.6-70.1-175.2000113M92 Y324 L325 K326 T330 A331 F332 Y337M92-L328 HydrophobicContact CE-CD1 3.54Å; M92-L328 HydrophobicContact SD-CD1 4.26Å; Y324-L328 HydrophobicContact CD1-CD1 3.95Å; Y324-L328 HydrophobicContact CD1-CG 4.17Å; Y324-L328 HydrophobicContact CE1-CD1 3.46Å; Y324-L328 VanDerWaalsContact CE1-CD1 3.46Å; Y324-L328 HydrophobicContact CE1-CD2 4.13Å; Y324-L328 HydrophobicContact CE1-CG 3.79Å; Y324-L328 PolarHBondContact O-N 3.3Å; L325-L328 PolarHBondContact O-N 3.37Å; K326-L328 VanDerWaalsContact C-N 3.35Å; K326-L328 PolarHBondContact O-N 3.17Å; L328-T330 PolarHBondContact O-N 3.15Å; L328-A331 PolarHBondContact O-N 3.26Å; L328-F332 HydrophobicContact CD2-CD2 4.24Å; L328-F332 HydrophobicContact CD2-CE2 4.28Å; L328-F332 PolarHBondContact O-N 2.95Å; L328-Y337 HydrophobicContact CB-CE1 4.35Å; L328-Y337 HydrophobicContact CB-CE2 4.08Å; L328-Y337 HydrophobicContact CD1-CE1 3.86Å
329K97.8Very high97.9Very high95 Ų9563.6 Ų63.641%0.41331%0.31SS..Hα-helixtrans-62.6-29.7178-74.7177.9177.6-171.70113.1L325 K326 H327 P333 Y337L325-K329 WeakPolarHBondContact O-CG 3.4Å; L325-K329 PolarHBondContact O-N 3.25Å; K326-K329 PolarHBondContact O-N 3.11Å; H327-K329 PolarHBondContact O-N 2.83Å; K329-P333 WeakPolarHBondContact O-CA 3.21Å; K329-Y337 HydrophobicContact CG-CD2 3.73Å; K329-Y337 HydrophobicContact CG-CE2 4.32Å; K329-Y337 HydrophobicContact CG-CG 4.5Å
330T97.9Very high97.9Very high110 Ų11065 Ų6568%0.67532%0.317SS*.Hα-helixtrans-77.7-40174.1-58.30000111.8K326 H327 L328K326-T330 PolarHBondContact O-N 3.03Å; K326-T330 VanDerWaalsContact O-N 3.15Å; K326-T330 PolarHBondContact O-OG1 3.49Å; H327-T330 PolarHBondContact O-N 3.18Å; L328-T330 PolarHBondContact O-N 3.15Å
331A97.5Very high97.9Very high49 Ų4959.7 Ų59.741%0.40530%0.298SS..Hα-helixtrans-75.7-33.3-178.600000113.5H327 L328H327-A331 PolarHBondContact O-N 3.05Å; L328-A331 PolarHBondContact O-N 3.26Å
332F97.8Very high97.8Very high60 Ų6063 Ų6326%0.26332%0.316SS..  trans-133.266.6-175.5-53.4-76.7000110.5S93 L328 E334 R335S93-F332 WeakPolarHBondContact OG-CE2 3.35Å; S93-F332 WeakPolarHBondContact OG-CZ 2.88Å; L328-F332 HydrophobicContact CD2-CD2 4.24Å; L328-F332 HydrophobicContact CD2-CE2 4.28Å; L328-F332 PolarHBondContact O-N 2.95Å; F332-E334 VanDerWaalsContact CA-OE2 3.26Å; F332-E334 WeakPolarHBondContact CA-OE2 3.27Å; F332-E334 PolarHBondContact O-N 2.8Å; F332-E334 VanDerWaalsContact O-N 3.14Å; F332-R335 HydrophobicContact CB-CB 4.23Å; F332-R335 HydrophobicContact CB-CG 3.91Å; F332-R335 PolarHBondContact O-N 2.85Å; F332-R335 VanDerWaalsContact O-N 3.1Å
333P97Very high97.7Very high100 Ų10068.9 Ų68.965%0.64934%0.344SS*.THydrogen-bonded Turntrans-63.3-17.2-17627.4-35.8000113.9K329K329-P333 WeakPolarHBondContact O-CA 3.21Å
334E97.3Very high97.7Very high118 Ų11867.7 Ų67.755%0.55135%0.348SS*.THydrogen-bonded Turntrans-76.7-21.2176.177.6-67.8167.100113.7F332 Q336F332-E334 VanDerWaalsContact CA-OE2 3.26Å; F332-E334 WeakPolarHBondContact CA-OE2 3.27Å; F332-E334 PolarHBondContact O-N 2.8Å; F332-E334 VanDerWaalsContact O-N 3.14Å; E334-Q336 PolarHBondContact O-NE2 3.41Å
335R98.1Very high97.7Very high50 Ų5068.2 Ų68.219%0.18935%0.351CS..SBendtrans-80.1142.8-177.7-70-179-172.5-176.5-0.8112D90 Y91 S93 F332 Y337D90-R335 PolarHBondContact O-NH1 3.41Å; Y91-R335 VanDerWaalsContact C-NH1 3.27Å; Y91-R335 HydrophobicContact CE1-CB 3.76Å; Y91-R335 HydrophobicContact CE1-CG 4.07Å; Y91-R335 HydrophobicContact CE2-CB 4.5Å; Y91-R335 HydrophobicContact CE2-CG 4.1Å; Y91-R335 PolarHBondContact O-NH1 3.01Å; Y91-R335 WeakPolarHBondContact OH-CA 3.5Å; S93-R335 PolarHBondContact OG-NH1 3.38Å; F332-R335 HydrophobicContact CB-CB 4.23Å; F332-R335 HydrophobicContact CB-CG 3.91Å; F332-R335 PolarHBondContact O-N 2.85Å; F332-R335 VanDerWaalsContact O-N 3.1Å; R335-Y337 HydrophobicContact CB-CD2 4.25Å; R335-Y337 HydrophobicContact CB-CE2 3.52Å; R335-Y337 WeakPolarHBondContact CD-OH 3.29Å
336Q98.2Very high97.7Very high74 Ų7468.7 Ų68.735%0.34636%0.356SS..EExtended strand (participates in β ladder)trans-97.792.9-175.7-58.7-57.5-38.600111.2Y91 A311 V312 E334 I338 Y348Y91-Q336 PolarHBondContact OH-N 3.2Å; A311-Q336 WeakPolarHBondContact CA-O 3.25Å; A311-Q336 HydrophobicContact CB-CB 3.6Å; V312-Q336 PolarHBondContact N-O 2.88Å; E334-Q336 PolarHBondContact O-NE2 3.41Å; Q336-I338 HydrophobicContact CB-CD1 4.3Å; Q336-Y348 HydrophobicContact CG-CE2 4.47Å
337Y98.4Very high97.6Very high10 Ų1066.7 Ų66.74%0.03935%0.349CS..EExtended strand (participates in β ladder)trans-96.996.4175.1-55.5-78.1000111.2Y91 M92 V312 L325 L328 K329 R335Y91-Y337 HydrophobicContact CD1-CE1 4.11Å; Y91-Y337 HydrophobicContact CE1-CD1 4.43Å; Y91-Y337 HydrophobicContact CE1-CE1 4.03Å; Y91-Y337 PolarHBondContact O-OH 3.36Å; M92-Y337 HydrophobicContact CE-CD1 4.47Å; M92-Y337 HydrophobicContact CE-CE1 4.38Å; M92-Y337 HydrophobicContact SD-CD1 3.81Å; M92-Y337 HydrophobicContact SD-CE1 3.62Å; V312-Y337 HydrophobicContact CG2-CD1 3.55Å; V312-Y337 HydrophobicContact CG2-CE1 4.14Å; V312-Y337 HydrophobicContact CG2-CG 4.43Å; L325-Y337 HydrophobicContact CD1-CD1 3.9Å; L325-Y337 HydrophobicContact CD1-CG 3.92Å; L328-Y337 HydrophobicContact CB-CE1 4.35Å; L328-Y337 HydrophobicContact CB-CE2 4.08Å; L328-Y337 HydrophobicContact CD1-CE1 3.86Å; K329-Y337 HydrophobicContact CG-CD2 3.73Å; K329-Y337 HydrophobicContact CG-CE2 4.32Å; K329-Y337 HydrophobicContact CG-CG 4.5Å; R335-Y337 HydrophobicContact CB-CD2 4.25Å; R335-Y337 HydrophobicContact CB-CE2 3.52Å; R335-Y337 WeakPolarHBondContact CD-OH 3.29Å
338I98.3Very high97.5Very high15 Ų1566.4 Ų66.48%0.07735%0.345CS..EExtended strand (participates in β ladder)trans-96.3114.9-167.8-53.6-56.6000111A311 V312 K313 V314 Q336 N340 I341 N345 F349A311-I338 HydrophobicContact CB-CG1 4.37Å; V312-I338 PolarHBondContact O-N 3.49Å; K313-I338 CarbonylContact C-O 3.57Å; K313-I338 WeakPolarHBondContact CA-O 3.43Å; V314-I338 PolarHBondContact N-O 3.26Å; Q336-I338 HydrophobicContact CB-CD1 4.3Å; I338-N340 WeakPolarHBondContact CG2-O 3.49Å; I338-I341 HydrophobicContact CG2-CD1 3.76Å; I338-N345 HydrophobicContact CD1-CB 4.12Å; I338-N345 HydrophobicContact CG1-CB 4.48Å; I338-N345 HydrophobicContact CG2-CB 4.49Å; I338-N345 WeakPolarHBondContact CG2-ND2 3.26Å; I338-F349 HydrophobicContact CB-CE2 3.88Å; I338-F349 HydrophobicContact CB-CZ 3.98Å; I338-F349 HydrophobicContact CG1-CE2 3.79Å; I338-F349 HydrophobicContact CG1-CZ 3.93Å; I338-F349 HydrophobicContact CG2-CE2 4.04Å
339T97.6Very high97.5Very high34 Ų3466.9 Ų66.921%0.20935%0.347CS..SBendtrans-92.4-32.4176.651.90000113V314 M317 L325 V374V314-T339 HydrophobicContact CB-CG2 4.11Å; V314-T339 HydrophobicContact CG2-CG2 4.25Å; M317-T339 HydrophobicContact CE-CG2 4.47Å; L325-T339 HydrophobicContact CD2-CG2 4.15Å; T339-V374 HydrophobicContact CG2-CB 4.49Å; T339-V374 HydrophobicContact CG2-CG1 4.32Å
340N97Very high97.5Very high74 Ų7466.4 Ų66.440%0.39635%0.352SS..SBendtrans-132.7130.1179.2-60.8-42.2000109.3I338 N345 P373 V374I338-N340 WeakPolarHBondContact CG2-O 3.49Å; N340-N345 PolarHBondContact O-ND2 2.85Å; N340-P373 VanDerWaalsContact OD1-CA 3.22Å; N340-P373 WeakPolarHBondContact OD1-CA 3.46Å; N340-P373 WeakPolarHBondContact OD1-CB 3.4Å; N340-V374 PolarHBondContact OD1-N 3.19Å; N340-V374 VanDerWaalsContact OD1-N 3.14Å
341I97.6Very high97.5Very high9 Ų962 Ų625%0.04632%0.324CS..  trans-82.1135.7178-59.6-68.4000109.6K313 I338 N345 A346 F349 I353 D369 F370K313-I341 HydrophobicContact CD-CD1 4.11Å; K313-I341 HydrophobicContact CD-CG1 4.02Å; I338-I341 HydrophobicContact CG2-CD1 3.76Å; I341-N345 VanDerWaalsContact CA-OD1 3.32Å; I341-N345 WeakPolarHBondContact CA-OD1 3.45Å; I341-A346 HydrophobicContact CG2-CB 3.86Å; I341-F349 HydrophobicContact CD1-CB 4.38Å; I341-F349 HydrophobicContact CD1-CD2 3.18Å; I341-F349 HydrophobicContact CD1-CE2 3.53Å; I341-F349 HydrophobicContact CD1-CG 3.93Å; I341-I353 HydrophobicContact CG2-CD1 3.94Å; I341-D369 HydrophobicContact CB-CB 4.37Å; I341-D369 WeakPolarHBondContact CB-O 3.35Å; I341-D369 HydrophobicContact CG1-CB 4.17Å; I341-F370 HydrophobicContact CG2-CD1 3.95Å; I341-F370 HydrophobicContact CG2-CE1 3.63Å; I341-F370 HydrophobicContact CG2-CZ 3.99Å
342N97Very high97.5Very high70 Ų7060.1 Ų60.137%0.37431%0.307SS..  trans-146.9-178176.365.149.7000109.7S344 N345 A346N342-S344 PolarHBondContact O-N 3.46Å; N342-S344 PolarHBondContact OD1-N 3.26Å; N342-S344 PolarHBondContact OD1-OG 2.84Å; N342-N345 PolarHBondContact N-OD1 3.13Å; N342-N345 PolarHBondContact ND2-ND2 3.14Å; N342-N345 PolarHBondContact O-N 3.24Å; N342-N345 PolarHBondContact O-OD1 2.96Å; N342-N345 PolarHBondContact OD1-N 3.34Å; N342-A346 VanDerWaalsContact O-CB 3.25Å; N342-A346 WeakPolarHBondContact O-CB 3.29Å; N342-A346 PolarHBondContact O-N 3.22Å
343K96.3Very high97.5Very high205 Ų20558.1 Ų58.189%0.89130%0.299SS*.THydrogen-bonded Turntrans-58.7-31.8-176.8-66.5-175.8179.2-179.40114
344S97.2Very high97.6Very high90 Ų9056 Ų5663%0.62928%0.279SS*.THydrogen-bonded Turntrans-81.2-19.7-176.270.10000113.8N342 H347N342-S344 PolarHBondContact O-N 3.46Å; N342-S344 PolarHBondContact OD1-N 3.26Å; N342-S344 PolarHBondContact OD1-OG 2.84Å; S344-H347 PolarHBondContact O-CE1 3.42Å; S344-H347 PolarHBondContact O-ND1 3.26Å
345N97.8Very high97.6Very high15 Ų1550.5 Ų50.58%0.0825%0.254CS..THydrogen-bonded Turntrans-121.3-8-176.465.826.9000114.6I338 N340 I341 N342 H347 Y348I338-N345 HydrophobicContact CD1-CB 4.12Å; I338-N345 HydrophobicContact CG1-CB 4.48Å; I338-N345 HydrophobicContact CG2-CB 4.49Å; I338-N345 WeakPolarHBondContact CG2-ND2 3.26Å; N340-N345 PolarHBondContact O-ND2 2.85Å; I341-N345 VanDerWaalsContact CA-OD1 3.32Å; I341-N345 WeakPolarHBondContact CA-OD1 3.45Å; N342-N345 PolarHBondContact N-OD1 3.13Å; N342-N345 PolarHBondContact ND2-ND2 3.14Å; N342-N345 PolarHBondContact O-N 3.24Å; N342-N345 PolarHBondContact O-OD1 2.96Å; N342-N345 PolarHBondContact OD1-N 3.34Å; N345-H347 PolarHBondContact O-N 3Å; N345-H347 VanDerWaalsContact O-N 3.14Å; N345-Y348 HydrophobicContact CB-CD2 4.28Å; N345-Y348 WeakPolarHBondContact O-CD2 3.49Å; N345-Y348 PolarHBondContact O-N 3.06Å; N345-Y348 VanDerWaalsContact O-N 3.17Å
346A97.9Very high97.7Very high17 Ų1748.1 Ų48.114%0.1425%0.245CC..G310 helixtrans-58.3-29.1-177.600000113.9I341 N342 Y348 F349 T350 I353 F370I341-A346 HydrophobicContact CG2-CB 3.86Å; N342-A346 VanDerWaalsContact O-CB 3.25Å; N342-A346 WeakPolarHBondContact O-CB 3.29Å; N342-A346 PolarHBondContact O-N 3.22Å; A346-Y348 PolarHBondContact O-N 3.14Å; A346-F349 CarbonylContact O-C 3.54Å; A346-F349 PolarHBondContact O-N 3.45Å; A346-T350 PolarHBondContact O-N 3.21Å; A346-I353 HydrophobicContact CB-CD1 3.81Å; A346-F370 HydrophobicContact CB-CE1 4.12Å; A346-F370 HydrophobicContact CB-CZ 3.94Å
347H96.7Very high97.7Very high112 Ų11248.9 Ų48.952%0.51925%0.248SC..G310 helixtrans-61.7-23.2-179.864.2-91.3000113.6S344 N345 F349 T350S344-H347 PolarHBondContact O-CE1 3.42Å; S344-H347 PolarHBondContact O-ND1 3.26Å; N345-H347 PolarHBondContact O-N 3Å; N345-H347 VanDerWaalsContact O-N 3.14Å; H347-F349 VanDerWaalsContact C-N 3.25Å; H347-F349 PolarHBondContact O-N 3.17Å; H347-T350 PolarHBondContact O-OG1 3.06Å
348Y96.9Very high97.7Very high87 Ų8750.3 Ų50.334%0.34126%0.257SS..G310 helixtrans-71.7-18.9173.5-66.8-63.5000113.5H310 A311 Q336 N345 A346H310-Y348 HydrophobicContact CB-CD1 3.95Å; H310-Y348 HydrophobicContact CB-CE1 3.91Å; A311-Y348 HydrophobicContact CB-CD1 3.93Å; A311-Y348 HydrophobicContact CB-CD2 3.94Å; A311-Y348 HydrophobicContact CB-CE1 4.49Å; A311-Y348 HydrophobicContact CB-CG 3.63Å; Q336-Y348 HydrophobicContact CG-CE2 4.47Å; N345-Y348 HydrophobicContact CB-CD2 4.28Å; N345-Y348 WeakPolarHBondContact O-CD2 3.49Å; N345-Y348 PolarHBondContact O-N 3.06Å; N345-Y348 VanDerWaalsContact O-N 3.17Å; A346-Y348 PolarHBondContact O-N 3.14Å
349F97.6Very high97.7Very high11 Ų1149.6 Ų49.65%0.04825%0.253CS..G310 helixtrans-129.528.6-168.8-50.8-77.1000112.7A311 K313 I338 I341 A346 H347 N351 E352 I353A311-F349 HydrophobicContact CB-CE1 4.4Å; A311-F349 HydrophobicContact CB-CE2 4.32Å; A311-F349 HydrophobicContact CB-CZ 3.73Å; K313-F349 HydrophobicContact CB-CD1 4.07Å; K313-F349 HydrophobicContact CB-CE1 3.61Å; K313-F349 HydrophobicContact CB-CZ 3.89Å; I338-F349 HydrophobicContact CB-CE2 3.88Å; I338-F349 HydrophobicContact CB-CZ 3.98Å; I338-F349 HydrophobicContact CG1-CE2 3.79Å; I338-F349 HydrophobicContact CG1-CZ 3.93Å; I338-F349 HydrophobicContact CG2-CE2 4.04Å; I341-F349 HydrophobicContact CD1-CB 4.38Å; I341-F349 HydrophobicContact CD1-CD2 3.18Å; I341-F349 HydrophobicContact CD1-CE2 3.53Å; I341-F349 HydrophobicContact CD1-CG 3.93Å; A346-F349 CarbonylContact O-C 3.54Å; A346-F349 PolarHBondContact O-N 3.45Å; H347-F349 VanDerWaalsContact C-N 3.25Å; H347-F349 PolarHBondContact O-N 3.17Å; F349-N351 PolarHBondContact O-N 3.06Å; F349-E352 WeakPolarHBondContact CA-OE2 3.45Å; F349-E352 HydrophobicContact CB-CB 4.33Å; F349-E352 PolarHBondContact O-N 2.72Å; F349-I353 HydrophobicContact CB-CD1 4.27Å; F349-I353 HydrophobicContact CB-CG1 4.38Å; F349-I353 WeakPolarHBondContact O-CB 3.03Å; F349-I353 WeakPolarHBondContact O-CD1 3.18Å; F349-I353 VanDerWaalsContact O-CG1 3.24Å; F349-I353 WeakPolarHBondContact O-CG1 3.24Å; F349-I353 PolarHBondContact O-N 3.41Å
350T97.1Very high97.7Very high84 Ų8448.7 Ų48.752%0.51525%0.247SC..Hα-helixtrans-53.3-41.2-175-59.90000112.3A346 H347 K354A346-T350 PolarHBondContact O-N 3.21Å; H347-T350 PolarHBondContact O-OG1 3.06Å; T350-K354 VanDerWaalsContact O-CB 3.29Å; T350-K354 WeakPolarHBondContact O-CB 3.46Å; T350-K354 PolarHBondContact O-N 3.16Å
351N97.4Very high97.7Very high17 Ų1748.3 Ų48.39%0.09125%0.254CS..Hα-helixtrans-75.5-36.4-178.3-68.5-53.1000112.6A71 F349 K354 A355A71-N351 HydrophobicContact CB-CB 4.31Å; F349-N351 PolarHBondContact O-N 3.06Å; N351-K354 PolarHBondContact O-N 2.64Å; N351-K354 PolarHBondContact OD1-NZ 2.95Å; N351-A355 VanDerWaalsContact O-CB 3.22Å; N351-A355 WeakPolarHBondContact O-CB 3.49Å; N351-A355 PolarHBondContact O-N 2.74Å
352E98.1Very high97.7Very high11 Ų1148.7 Ų48.75%0.05126%0.255CS..Hα-helixtrans-69.4-40.7178.5-64.364.3-140.300110.4E68 P70 A71 F349 A355 T356E68-E352 HydrophobicContact CG-CG 4.48Å; P70-E352 WeakPolarHBondContact CA-OE1 3.25Å; A71-E352 HydrophobicContact CB-CG 4.42Å; A71-E352 PolarHBondContact N-OE1 2.91Å; F349-E352 WeakPolarHBondContact CA-OE2 3.45Å; F349-E352 HydrophobicContact CB-CB 4.33Å; F349-E352 PolarHBondContact O-N 2.72Å; E352-A355 PolarHBondContact O-N 2.98Å; E352-T356 PolarHBondContact O-N 3.41Å; E352-T356 PolarHBondContact O-OG1 3.39Å; E352-T356 VanDerWaalsContact O-OG1 3.05Å
353I98.5Very high97.7Very high17 Ų1746 Ų469%0.08724%0.242CC..Hα-helixtrans-62.9-49.9174.2-67.1165.2000110.3I341 A346 F349 A355 T356 H357 D369 F370I341-I353 HydrophobicContact CG2-CD1 3.94Å; A346-I353 HydrophobicContact CB-CD1 3.81Å; F349-I353 HydrophobicContact CB-CD1 4.27Å; F349-I353 HydrophobicContact CB-CG1 4.38Å; F349-I353 WeakPolarHBondContact O-CB 3.03Å; F349-I353 WeakPolarHBondContact O-CD1 3.18Å; F349-I353 VanDerWaalsContact O-CG1 3.24Å; F349-I353 WeakPolarHBondContact O-CG1 3.24Å; F349-I353 PolarHBondContact O-N 3.41Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 3.37Å; I353-T356 PolarHBondContact O-N 3.31Å; I353-H357 WeakPolarHBondContact CG2-NE2 3.36Å; I353-H357 PolarHBondContact O-CD2 3.04Å; I353-H357 PolarHBondContact O-N 2.88Å; I353-D369 WeakPolarHBondContact CA-OD2 3.21Å; I353-D369 HydrophobicContact CG1-CB 3.9Å; I353-F370 HydrophobicContact CD1-CE2 4.26Å; I353-F370 HydrophobicContact CD1-CZ 4.12Å; I353-F370 HydrophobicContact CG2-CE2 3.85Å
354K98.1Very high97.8Very high55 Ų5538.8 Ų38.824%0.23923%0.226CC..Hα-helixtrans-56.8-44.9175.1177.4176.557.4175.40111.3L298 N299 T350 N351 T356 H357 I358L298-K354 WeakPolarHBondContact O-CD 3.46Å; L298-K354 WeakPolarHBondContact O-CE 3.28Å; L298-K354 PolarHBondContact O-NZ 3.35Å; N299-K354 PolarHBondContact O-NZ 3.19Å; T350-K354 VanDerWaalsContact O-CB 3.29Å; T350-K354 WeakPolarHBondContact O-CB 3.46Å; T350-K354 PolarHBondContact O-N 3.16Å; N351-K354 PolarHBondContact O-N 2.64Å; N351-K354 PolarHBondContact OD1-NZ 2.95Å; K354-T356 VanDerWaalsContact C-N 3.35Å; K354-T356 PolarHBondContact O-N 3.39Å; K354-H357 PolarHBondContact O-N 2.76Å; K354-I358 HydrophobicContact CG-CD1 3.9Å; K354-I358 WeakPolarHBondContact O-CG1 3.39Å; K354-I358 PolarHBondContact O-N 3.38Å
355A98.4Very high97.7Very high3 Ų335.8 Ų35.83%0.02520%0.202CC..Hα-helixtrans-61.5-40.4177.400000112.3F41 L298 N351 E352 I353 Y359F41-A355 HydrophobicContact CD2-CB 4.05Å; F41-A355 HydrophobicContact CE2-CB 4.02Å; L298-A355 HydrophobicContact CD1-CB 4.14Å; L298-A355 HydrophobicContact CD2-CB 4.07Å; N351-A355 VanDerWaalsContact O-CB 3.22Å; N351-A355 WeakPolarHBondContact O-CB 3.49Å; N351-A355 PolarHBondContact O-N 2.74Å; E352-A355 PolarHBondContact O-N 2.98Å; I353-A355 VanDerWaalsContact C-N 3.31Å; I353-A355 PolarHBondContact O-N 3.37Å; A355-Y359 WeakPolarHBondContact O-CB 3.33Å; A355-Y359 PolarHBondContact O-N 3.4Å
356T98.7Very high97.7Very high1 Ų142.2 Ų42.21%0.00623%0.232CC..Hα-helixtrans-62.8-44.1172.9-56.20000112.3N40 K52 F53 E352 I353 K354 Y359 N360 D369N40-T356 VanDerWaalsContact ND2-CA 3.3Å; N40-T356 WeakPolarHBondContact ND2-CA 3.26Å; N40-T356 PolarHBondContact ND2-OG1 3.36Å; N40-T356 VanDerWaalsContact ND2-OG1 3.09Å; K52-T356 WeakPolarHBondContact CE-OG1 3.44Å; K52-T356 PolarHBondContact NZ-OG1 3.44Å; F53-T356 HydrophobicContact CE2-CG2 4.17Å; E352-T356 PolarHBondContact O-N 3.41Å; E352-T356 PolarHBondContact O-OG1 3.39Å; E352-T356 VanDerWaalsContact O-OG1 3.05Å; I353-T356 PolarHBondContact O-N 3.31Å; K354-T356 VanDerWaalsContact C-N 3.35Å; K354-T356 PolarHBondContact O-N 3.39Å; T356-Y359 PolarHBondContact O-N 3.31Å; T356-N360 WeakPolarHBondContact O-CB 3.47Å; T356-N360 PolarHBondContact O-N 3.43Å; T356-N360 PolarHBondContact O-OD1 2.8Å; T356-D369 WeakPolarHBondContact CB-OD2 3.21Å; T356-D369 PolarHBondContact OG1-OD2 3.39Å
357H98.5Very high97.7Very high89 Ų8944.9 Ų44.941%0.41224%0.241SC..Hα-helixtrans-63.6-43.6178.2-69.2-49.1000112.8I353 K354 N360 A361I353-H357 WeakPolarHBondContact CG2-NE2 3.36Å; I353-H357 PolarHBondContact O-CD2 3.04Å; I353-H357 PolarHBondContact O-N 2.88Å; K354-H357 PolarHBondContact O-N 2.76Å; H357-N360 PolarHBondContact O-N 3.26Å; H357-A361 PolarHBondContact O-N 3.26Å
358I98.2Very high97.7Very high41 Ų4140.6 Ų40.621%0.2122%0.223CC..Hα-helixtrans-65.4-44.3176.7-68.3169.6000110.6L297 L298 K354 N360 A361 I362L297-I358 HydrophobicContact CD1-CG2 4.35Å; L297-I358 HydrophobicContact CD2-CG2 4.32Å; L297-I358 HydrophobicContact CG-CG2 4.08Å; L298-I358 HydrophobicContact CD2-CB 4.07Å; L298-I358 HydrophobicContact CD2-CD1 3.66Å; L298-I358 HydrophobicContact CD2-CG1 4.45Å; L298-I358 HydrophobicContact CD2-CG2 4.08Å; K354-I358 HydrophobicContact CG-CD1 3.9Å; K354-I358 WeakPolarHBondContact O-CG1 3.39Å; K354-I358 PolarHBondContact O-N 3.38Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 2.94Å; I358-A361 PolarHBondContact O-N 3.45Å; I358-I362 HydrophobicContact CG2-CD1 4.09Å; I358-I362 VanDerWaalsContact O-CG1 3.32Å; I358-I362 WeakPolarHBondContact O-CG1 3.47Å; I358-I362 PolarHBondContact O-N 3.31Å
359Y98.6Very high97.8Very high0 Ų036.5 Ų36.50%021%0.207CC..Hα-helixtrans-57.3-43.1174.9-173.3-78.5000111.6N40 P47 A48 I49 Y50 N51 I227 A355 T356 I362 S363N40-Y359 HydrophobicContact CB-CD2 3.59Å; N40-Y359 HydrophobicContact CB-CE2 4.2Å; N40-Y359 HydrophobicContact CB-CG 3.92Å; P47-Y359 HydrophobicContact CB-CD2 4.5Å; P47-Y359 HydrophobicContact CB-CE2 4.2Å; A48-Y359 WeakPolarHBondContact O-CE2 3.28Å; A48-Y359 PolarHBondContact O-OH 3.1Å; I49-Y359 PolarHBondContact O-OH 2.71Å; Y50-Y359 WeakPolarHBondContact CA-OH 3.45Å; N51-Y359 HydrophobicContact CB-CD1 4.27Å; N51-Y359 HydrophobicContact CB-CE1 3.79Å; N51-Y359 PolarHBondContact N-OH 3.26Å; I227-Y359 HydrophobicContact CB-CE2 4.36Å; I227-Y359 HydrophobicContact CD1-CD2 3.94Å; I227-Y359 HydrophobicContact CD1-CE1 4.42Å; I227-Y359 HydrophobicContact CD1-CE2 3.83Å; I227-Y359 HydrophobicContact CD1-CG 4.37Å; I227-Y359 HydrophobicContact CG2-CE2 3.62Å; I227-Y359 WeakPolarHBondContact CG2-OH 3.45Å; A355-Y359 WeakPolarHBondContact O-CB 3.33Å; A355-Y359 PolarHBondContact O-N 3.4Å; T356-Y359 PolarHBondContact O-N 3.31Å; Y359-I362 PolarHBondContact O-N 3.36Å; Y359-S363 WeakPolarHBondContact CD1-OG 3.46Å; Y359-S363 WeakPolarHBondContact O-CB 3.45Å; Y359-S363 PolarHBondContact O-N 3.31Å; Y359-S363 PolarHBondContact O-OG 3.45Å
360N98.4Very high97.8Very high15 Ų1540.8 Ų40.88%0.0823%0.226CC..Hα-helixtrans-69.2-38.3179.5-75.21.8000113.1T356 H357 I358 I362 S363 G364 Q365 Q367T356-N360 WeakPolarHBondContact O-CB 3.47Å; T356-N360 PolarHBondContact O-N 3.43Å; T356-N360 PolarHBondContact O-OD1 2.8Å; H357-N360 PolarHBondContact O-N 3.26Å; I358-N360 VanDerWaalsContact C-N 3.28Å; I358-N360 PolarHBondContact O-N 2.94Å; N360-I362 PolarHBondContact O-N 3.4Å; N360-S363 WeakPolarHBondContact CA-OG 3.35Å; N360-S363 PolarHBondContact O-N 3.28Å; N360-G364 WeakPolarHBondContact O-CA 3.39Å; N360-G364 PolarHBondContact O-N 3.47Å; N360-Q365 VanDerWaalsContact CB-O 3.26Å; N360-Q365 WeakPolarHBondContact CB-O 3.38Å; N360-Q365 VanDerWaalsContact CG-O 3.24Å; N360-Q365 PolarHBondContact ND2-O 2.91Å; N360-Q367 PolarHBondContact ND2-O 2.93Å
361A97.7Very high97.8Very high65 Ų6541.2 Ų41.254%0.53723%0.225SC..Hα-helixtrans-57.8-32174.600000112Y235 H357 I358Y235-A361 PolarHBondContact OH-O 2.78Å; H357-A361 PolarHBondContact O-N 3.26Å; I358-A361 PolarHBondContact O-N 3.45Å
362I97.4Very high97.8Very high17 Ų1741.1 Ų41.19%0.08723%0.225CC..Hα-helixtrans-88.9-40.1-178.5-58.3172.3000111.7I227 Q231 I232 Y235 L297 I358 Y359 N360I227-I362 HydrophobicContact CD1-CB 4.16Å; I227-I362 HydrophobicContact CD1-CG2 3.86Å; I227-I362 HydrophobicContact CG1-CG2 4.27Å; Q231-I362 HydrophobicContact CB-CG2 3.86Å; Q231-I362 WeakPolarHBondContact O-CG2 3.32Å; I232-I362 HydrophobicContact CG1-CD1 3.87Å; I232-I362 HydrophobicContact CG1-CG2 4.09Å; Y235-I362 HydrophobicContact CD1-CG1 4.16Å; Y235-I362 HydrophobicContact CD2-CD1 4.08Å; Y235-I362 HydrophobicContact CD2-CG1 3.66Å; Y235-I362 HydrophobicContact CD2-CG2 4.35Å; Y235-I362 HydrophobicContact CE1-CG1 4.26Å; Y235-I362 HydrophobicContact CE2-CB 4.3Å; Y235-I362 HydrophobicContact CE2-CG1 3.77Å; Y235-I362 HydrophobicContact CE2-CG2 4.2Å; Y235-I362 HydrophobicContact CG-CD1 4.06Å; Y235-I362 HydrophobicContact CG-CG1 3.86Å; L297-I362 HydrophobicContact CD2-CD1 4.5Å; I358-I362 HydrophobicContact CG2-CD1 4.09Å; I358-I362 VanDerWaalsContact O-CG1 3.32Å; I358-I362 WeakPolarHBondContact O-CG1 3.47Å; I358-I362 PolarHBondContact O-N 3.31Å; Y359-I362 PolarHBondContact O-N 3.36Å; N360-I362 PolarHBondContact O-N 3.4Å
363S96.9Very high97.7Very high14 Ų1444.6 Ų44.610%0.09825%0.248CC..Hα-helixtrans-89-13.7-175.558.90000114.8Y359 N360 Q365Y359-S363 WeakPolarHBondContact CD1-OG 3.46Å; Y359-S363 WeakPolarHBondContact O-CB 3.45Å; Y359-S363 PolarHBondContact O-N 3.31Å; Y359-S363 PolarHBondContact O-OG 3.45Å; N360-S363 WeakPolarHBondContact CA-OG 3.35Å; N360-S363 PolarHBondContact O-N 3.28Å; S363-Q365 PolarHBondContact O-N 3.35Å
364G96.9Very high97.7Very high53 Ų5344.5 Ų44.555%0.54625%0.249SC..  trans744.6-173.800000114.7N360 Q366N360-G364 WeakPolarHBondContact O-CA 3.39Å; N360-G364 PolarHBondContact O-N 3.47Å; G364-Q366 PolarHBondContact O-NE2 3.39Å
365Q96.7Very high97.6Very high28 Ų2843.5 Ų43.513%0.13125%0.246CC..  trans-73.7153.6-178.3-66.1-168.8-48.800112.7N51 P225 N360 S363N51-Q365 VanDerWaalsContact ND2-CD 3.35Å; N51-Q365 PolarHBondContact ND2-NE2 3.31Å; N51-Q365 PolarHBondContact ND2-OE1 3.43Å; P225-Q365 HydrophobicContact CG-CG 3.49Å; P225-Q365 VanDerWaalsContact CG-CG 3.49Å; N360-Q365 VanDerWaalsContact CB-O 3.26Å; N360-Q365 WeakPolarHBondContact CB-O 3.38Å; N360-Q365 VanDerWaalsContact CG-O 3.24Å; N360-Q365 PolarHBondContact ND2-O 2.91Å; S363-Q365 PolarHBondContact O-N 3.35Å
366Q97Very high97.5Very high149 Ų14947.1 Ų47.170%0.69626%0.262SS*.  trans-109.6-9.8-175.3-58.2-57.4-45.400113.6G364 T368 N371G364-Q366 PolarHBondContact O-NE2 3.39Å; Q366-T368 PolarHBondContact O-N 3.46Å; Q366-N371 PolarHBondContact O-ND2 2.84Å
367Q97.6Very high96.9Very high73 Ų7350.4 Ų50.434%0.34128%0.277SS..  trans-72.1120.4178.6-69.2-178.3-69.700110.4N51 F53 N360 T372N51-Q367 PolarHBondContact ND2-OE1 3.04Å; F53-Q367 HydrophobicContact CD2-CB 3.73Å; F53-Q367 HydrophobicContact CE2-CB 4.01Å; N360-Q367 PolarHBondContact ND2-O 2.93Å; Q367-T372 WeakPolarHBondContact CB-OG1 3.45Å
368T98.1Very high95.6Very high23 Ų2353.2 Ų53.214%0.14129%0.285CS..  trans-121.9166.7178.567.50000110.4Q366 F370 N371 T372Q366-T368 PolarHBondContact O-N 3.46Å; T368-F370 PolarHBondContact O-N 2.86Å; T368-F370 VanDerWaalsContact O-N 3.16Å; T368-F370 PolarHBondContact OG1-N 3.32Å; T368-N371 PolarHBondContact N-OD1 3.15Å; T368-N371 PolarHBondContact O-N 2.84Å; T368-N371 PolarHBondContact O-OD1 3.01Å; T368-N371 PolarHBondContact OG1-N 3.29Å; T368-N371 PolarHBondContact OG1-OD1 2.92Å; T368-N371 VanDerWaalsContact OG1-OD1 3.06Å; T368-T372 WeakPolarHBondContact O-CB 3.33Å; T368-T372 PolarHBondContact O-N 3.47Å; T368-T372 PolarHBondContact O-OG1 3.23Å; T368-T372 VanDerWaalsContact O-OG1 3.06Å
369D98.2Very high93.8Very high1 Ų160 Ų601%0.00531%0.308CS..THydrogen-bonded Turntrans-58.5-24.9174.3-68.5-79000114.4K52 K313 I341 I353 T356K52-D369 WeakPolarHBondContact CE-OD1 3.29Å; K52-D369 IonicContact NZ-OD1 2.67Å; K52-D369 PolarHBondContact NZ-OD1 3.22Å; K52-D369 IonicContact NZ-OD2 3.45Å; K52-D369 PolarHBondContact NZ-OD2 3.18Å; K313-D369 IonicContact NZ-OD1 2.58Å; K313-D369 PolarHBondContact NZ-OD1 3.01Å; I341-D369 HydrophobicContact CB-CB 4.37Å; I341-D369 WeakPolarHBondContact CB-O 3.35Å; I341-D369 HydrophobicContact CG1-CB 4.17Å; I353-D369 WeakPolarHBondContact CA-OD2 3.21Å; I353-D369 HydrophobicContact CG1-CB 3.9Å; T356-D369 WeakPolarHBondContact CB-OD2 3.21Å; T356-D369 PolarHBondContact OG1-OD2 3.39Å
370F97.9Very high93.5Very high100 Ų10063 Ų6344%0.43932%0.323SS..THydrogen-bonded Turntrans-91.3-32.2-177.7-67.1-80.6000113.9I341 A346 I353 T368I341-F370 HydrophobicContact CG2-CD1 3.95Å; I341-F370 HydrophobicContact CG2-CE1 3.63Å; I341-F370 HydrophobicContact CG2-CZ 3.99Å; A346-F370 HydrophobicContact CB-CE1 4.12Å; A346-F370 HydrophobicContact CB-CZ 3.94Å; I353-F370 HydrophobicContact CD1-CE2 4.26Å; I353-F370 HydrophobicContact CD1-CZ 4.12Å; I353-F370 HydrophobicContact CG2-CE2 3.85Å; T368-F370 PolarHBondContact O-N 2.86Å; T368-F370 VanDerWaalsContact O-N 3.16Å; T368-F370 PolarHBondContact OG1-N 3.32Å
371N97.6Very high93.3Very high93 Ų9365.5 Ų65.550%0.49734%0.336SS..THydrogen-bonded Turntrans-103-3-177.4733.4000113.7Q366 T368 P373Q366-N371 PolarHBondContact O-ND2 2.84Å; T368-N371 PolarHBondContact N-OD1 3.15Å; T368-N371 PolarHBondContact O-N 2.84Å; T368-N371 PolarHBondContact O-OD1 3.01Å; T368-N371 PolarHBondContact OG1-N 3.29Å; T368-N371 PolarHBondContact OG1-OD1 2.92Å; T368-N371 VanDerWaalsContact OG1-OD1 3.06Å; N371-P373 WeakPolarHBondContact O-CD 3.45Å
372T97.4Very high93.1Very high15 Ų1565.5 Ų65.59%0.09233%0.325CS..  trans-110.199.8178.5-53.60000109F53 Q367 T368F53-T372 HydrophobicContact CB-CG2 4.14Å; F53-T372 HydrophobicContact CD1-CG2 3.52Å; F53-T372 HydrophobicContact CD2-CG2 4.24Å; F53-T372 HydrophobicContact CE1-CG2 3.91Å; F53-T372 HydrophobicContact CG-CG2 3.71Å; F53-T372 HydrophobicContact CZ-CG2 4.43Å; Q367-T372 WeakPolarHBondContact CB-OG1 3.45Å; T368-T372 WeakPolarHBondContact O-CB 3.33Å; T368-T372 PolarHBondContact O-N 3.47Å; T368-T372 PolarHBondContact O-OG1 3.23Å; T368-T372 VanDerWaalsContact O-OG1 3.06Å
373P95.7Very high92.8Very high84 Ų8468.4 Ų68.455%0.54534%0.339SS..PPolyproline II helixtrans-66.2164.1176.329.1-34.6000110.9N340 N371 I375N340-P373 VanDerWaalsContact OD1-CA 3.22Å; N340-P373 WeakPolarHBondContact OD1-CA 3.46Å; N340-P373 WeakPolarHBondContact OD1-CB 3.4Å; N371-P373 WeakPolarHBondContact O-CD 3.45Å; P373-I375 PolarHBondContact O-N 3.02Å
374V97.5Very high92.5Very high15 Ų1571.8 Ų71.89%0.09135%0.354CS..PPolyproline II helixtrans-49.2128172.261.50000110.7V314 M317 T339 N340 Q376V314-V374 HydrophobicContact CB-CG2 4.43Å; V314-V374 HydrophobicContact CG1-CG2 3.83Å; M317-V374 HydrophobicContact CE-CG1 4.05Å; M317-V374 HydrophobicContact CE-CG2 4.19Å; M317-V374 HydrophobicContact CG-CG2 4.19Å; T339-V374 HydrophobicContact CG2-CB 4.49Å; T339-V374 HydrophobicContact CG2-CG1 4.32Å; N340-V374 PolarHBondContact OD1-N 3.19Å; N340-V374 VanDerWaalsContact OD1-N 3.14Å; V374-Q376 HydrophobicContact CG1-CG 4.3Å; V374-Q376 PolarHBondContact O-N 2.92Å
375I97.3Very high92.3Very high35 Ų3573 Ų7318%0.17934%0.341CS..EExtended strand (participates in β ladder)trans-73.5127.7179.6-63.7153.9000108.4F53 A56 K57 L60 L315 A316 M317 P373F53-I375 HydrophobicContact CB-CD1 4.18Å; F53-I375 WeakPolarHBondContact O-CD1 3.27Å; A56-I375 HydrophobicContact CB-CD1 4.32Å; K57-I375 HydrophobicContact CB-CD1 4.26Å; K57-I375 HydrophobicContact CB-CG2 4.37Å; K57-I375 HydrophobicContact CG-CG2 4.3Å; L60-I375 HydrophobicContact CD2-CG2 4.27Å; L315-I375 PolarHBondContact O-N 3.34Å; A316-I375 CarbonylContact C-O 3.6Å; A316-I375 VanDerWaalsContact CA-O 3.22Å; A316-I375 WeakPolarHBondContact CA-O 3.32Å; A316-I375 HydrophobicContact CB-CB 3.84Å; A316-I375 HydrophobicContact CB-CG2 4.33Å; M317-I375 PolarHBondContact N-O 3.36Å; P373-I375 PolarHBondContact O-N 3.02Å
376Q94.8Very high91.9Very high78 Ų7876.2 Ų76.236%0.36436%0.356SS..EExtended strand (participates in β ladder)trans-118.8134.2-179.4-63.4-177.92.800110.4M317 V374 Y378M317-Q376 HydrophobicContact CE-CG 4.27Å; M317-Q376 WeakPolarHBondContact O-CA 3.32Å; V374-Q376 HydrophobicContact CG1-CG 4.3Å; V374-Q376 PolarHBondContact O-N 2.92Å; Q376-Y378 HydrophobicContact CB-CE2 4.16Å; Q376-Y378 PolarHBondContact OE1-OH 3.36Å
377Q86.4Confident91.5Very high70 Ų7070.6 Ų70.633%0.32733%0.33SS..EExtended strand (participates in β ladder)trans-122.2111.2168.8-176.3176.63.900108.4L60 M317 N318 R379L60-Q377 HydrophobicContact CD2-CB 3.39Å; L60-Q377 HydrophobicContact CG-CB 4.09Å; L60-Q377 PolarHBondContact O-OE1 2.84Å; M317-Q377 PolarHBondContact O-N 3.09Å; N318-Q377 VanDerWaalsContact CA-O 3.27Å; N318-Q377 WeakPolarHBondContact CA-O 3.44Å; N318-Q377 WeakPolarHBondContact CB-O 3.42Å; Q377-R379 HydrophobicContact CG-CG 4.48Å
378Y71.5Confident91Very high148 Ų14870.4 Ų70.458%0.5833%0.329SS*.  trans-79.4130.3172.6-61.8-82.9000108.1D319 R322 Q376D319-Y378 WeakPolarHBondContact OD2-CA 3.39Å; R322-Y378 PolarHBondContact NH1-OH 3.09Å; R322-Y378 PolarHBondContact NH2-OH 2.78Å; Q376-Y378 HydrophobicContact CB-CE2 4.16Å; Q376-Y378 PolarHBondContact OE1-OH 3.36Å
379R60Low90.4Very high183 Ų18374.7 Ų74.769%0.69135%0.347SS*.  trans-117.80177.2-76.2-167.8-174.1-171.24.6111.6L60 S61 D319 Q377L60-R379 PolarHBondContact O-NH2 3.17Å; S61-R379 PolarHBondContact O-NH2 3.35Å; D319-R379 PolarHBondContact OD2-N 3.21Å; Q377-R379 HydrophobicContact CG-CG 4.48Å

Retrieved 379 of 379 residues in 658.8 ms (Link to these results)

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