A0A077ZCA6_TRITR Loading...

Non-homologous end-joining factor 1

AlphaFold DB , UniProt , Accession A0A077ZCA6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 281 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
1M35.2Very low37.1Very low249 Ų249116 Ų116100%1.22773%0.732SS**  079.70-70.9177.7173.100107.9
2G37.4Very low38.6Very low72 Ų72109.9 Ų109.974%0.74269%0.685SS**  trans-91.8103.5172.700000107.5T4G2-T4 PolarHBondContact O-N 3.26Å
3S39.2Very low40.9Very low102 Ų102106.4 Ų106.471%0.71367%0.673SS**  trans-70.983.6168.5177.80000107.7N5S3-N5 VanDerWaalsContact C-N 3.29Å; S3-N5 PolarHBondContact O-N 2.91Å; S3-N5 VanDerWaalsContact O-N 3.11Å
4T39.1Very low44.1Very low127 Ų127102.2 Ų102.278%0.77965%0.649SS**  trans-71.296159.346.70000105.4G2 P6G2-T4 PolarHBondContact O-N 3.26Å; T4-P6 WeakPolarHBondContact O-CD 3.42Å
5N35.3Very low47.3Very low135 Ų135100.6 Ų100.672%0.72263%0.625SS**  trans-53.9112164.8-79.3-31.3000106.5S3 L7S3-N5 VanDerWaalsContact C-N 3.29Å; S3-N5 PolarHBondContact O-N 2.91Å; S3-N5 VanDerWaalsContact O-N 3.11Å; N5-L7 PolarHBondContact O-N 2.83Å; N5-L7 VanDerWaalsContact O-N 3.16Å
6P35Very low50.2Low119 Ų11999.5 Ų99.577%0.77361%0.609SS**PPolyproline II helixtrans-67.2119.9173.913.4-4.9000106.8T4T4-P6 WeakPolarHBondContact O-CD 3.42Å
7L38Very low52.7Low97 Ų97102.6 Ų102.651%0.50861%0.607SS.*PPolyproline II helixtrans-54.9139.4173.6-79155.9000109N5 L82N5-L7 PolarHBondContact O-N 2.83Å; N5-L7 VanDerWaalsContact O-N 3.16Å; L7-L82 HydrophobicContact CD1-CD2 4.23Å
8P33.5Very low54.9Low87 Ų8797.1 Ų97.157%0.56557%0.574SS**PPolyproline II helixtrans-62.5137.2-174.522.2-31.1000110.8C10 G11P8-C10 PolarHBondContact O-N 3.16Å; P8-G11 PolarHBondContact O-N 3.37Å
9P36.4Very low56.7Low135 Ų13598.6 Ų98.688%0.87758%0.579SS**THydrogen-bonded Turntrans-65.33.3-168.5-20.231.5000117.1
10C35.1Very low58.3Low121 Ų12194.9 Ų94.982%0.81856%0.555SS**THydrogen-bonded Turntrans-139.220.9-179.8-65.20000113.4P8P8-C10 PolarHBondContact O-N 3.16Å
11G44Very low59.7Low32 Ų3290.7 Ų90.733%0.3353%0.531SS..  trans-90.7-12.1-159.200000119.2P8 A13 S14P8-G11 PolarHBondContact O-N 3.37Å; G11-A13 VanDerWaalsContact C-N 3.34Å; G11-A13 PolarHBondContact O-N 3.15Å; G11-S14 PolarHBondContact O-OG 3.32Å
12Y54.5Low61.8Low43 Ų4386.7 Ų86.717%0.16951%0.514CS..THydrogen-bonded Turntrans-79.7-13.6-171.4-58.4-65.3000114.5S14 A31 D78 V81 L82 L85Y12-S14 PolarHBondContact O-N 2.84Å; Y12-A31 CarbonylContact C-O 3.57Å; Y12-A31 WeakPolarHBondContact CB-O 3.35Å; Y12-A31 PolarHBondContact O-N 3.41Å; Y12-D78 PolarHBondContact OH-OD1 3.16Å; Y12-D78 VanDerWaalsContact OH-OD1 3.04Å; Y12-V81 HydrophobicContact CD1-CG1 3.42Å; Y12-V81 VanDerWaalsContact CD1-CG1 3.42Å; Y12-V81 HydrophobicContact CD2-CG1 4.04Å; Y12-V81 HydrophobicContact CE1-CG1 3.63Å; Y12-V81 HydrophobicContact CE2-CG1 4.2Å; Y12-V81 HydrophobicContact CG-CG1 3.64Å; Y12-L82 HydrophobicContact CE1-CD2 4.3Å; Y12-L85 HydrophobicContact CD1-CD1 3.8Å
13A69.6Low63.7Low64 Ų6485.1 Ų85.153%0.52949%0.492SS..THydrogen-bonded Turntrans-67.72.6179.100000114.9G11 A31 V32G11-A13 VanDerWaalsContact C-N 3.34Å; G11-A13 PolarHBondContact O-N 3.15Å; A13-A31 PolarHBondContact N-O 3.16Å; A13-V32 HydrophobicContact CB-CG2 3.77Å
14S85.2Confident65.7Low48 Ų4890 Ų9034%0.33650%0.503SS..SBendtrans-91.3129177.663.70000111.1G11 Y12 K16G11-S14 PolarHBondContact O-OG 3.32Å; Y12-S14 PolarHBondContact O-N 2.84Å; S14-K16 PolarHBondContact O-N 3.07Å; S14-K16 WeakPolarHBondContact OG-CE 3.43Å
15W92.2Very high67.9Low78 Ų7887.8 Ų87.830%0.29549%0.486SS..  trans-57.4123.6172.2-69.7102.5000111K41 T43 L48 I134W15-K41 HydrophobicContact CH2-CB 3.57Å; W15-K41 HydrophobicContact CZ2-CB 4.31Å; W15-K41 HydrophobicContact CZ3-CB 4.1Å; W15-T43 HydrophobicContact CE3-CG2 3.92Å; W15-T43 HydrophobicContact CH2-CG2 3.79Å; W15-T43 HydrophobicContact CZ2-CG2 4.41Å; W15-T43 HydrophobicContact CZ3-CG2 3.53Å; W15-L48 HydrophobicContact CH2-CD1 3.66Å; W15-L48 HydrophobicContact CZ2-CD1 4.27Å; W15-I134 HydrophobicContact CH2-CD1 4.49Å; W15-I134 HydrophobicContact CZ2-CD1 4.05Å
16K92.9Very high70.4Confident83 Ų8383.8 Ų83.836%0.36147%0.468SS..EExtended strand (participates in β ladder)trans-112137.1174.5-62.9-56.5-177.7-172.70109.9S14 Y28 A29 L85S14-K16 PolarHBondContact O-N 3.07Å; S14-K16 WeakPolarHBondContact OG-CE 3.43Å; K16-Y28 CarbonylContact O-C 3.56Å; K16-Y28 WeakPolarHBondContact O-CA 3.2Å; K16-A29 PolarHBondContact N-O 3.43Å; K16-A29 PolarHBondContact O-N 2.89Å; K16-L85 HydrophobicContact CB-CD2 4.46Å; K16-L85 HydrophobicContact CG-CD2 4.43Å
17R92.9Very high73.2Confident152 Ų15278.3 Ų78.357%0.57443%0.432SS*.EExtended strand (participates in β ladder)trans-70.2134.8170.6-177.6178.5173.41604.8108.8D19 F27 Y28R17-D19 IonicContact CZ-OD1 3.94Å; R17-D19 IonicContact NE-OD1 3.51Å; R17-D19 PolarHBondContact NE-OD1 3.02Å; R17-D19 IonicContact NH2-OD1 2.66Å; R17-F27 WeakPolarHBondContact CA-O 3.49Å; R17-Y28 HydrophobicContact CB-CD1 4.07Å; R17-Y28 HydrophobicContact CB-CE1 3.97Å; R17-Y28 HydrophobicContact CG-CE1 4.48Å
18V92.7Very high75.9Confident4 Ų477 Ų772%0.02442%0.42CS..EExtended strand (participates in β ladder)trans-126.4141.8176.1-66.30000109.4Y20 F27 A29 L85V18-Y20 HydrophobicContact CB-CD1 3.83Å; V18-Y20 HydrophobicContact CB-CE1 3.43Å; V18-Y20 VanDerWaalsContact CB-CE1 3.43Å; V18-Y20 HydrophobicContact CG1-CD1 4.32Å; V18-Y20 HydrophobicContact CG1-CE1 3.56Å; V18-Y20 HydrophobicContact CG2-CD1 4.46Å; V18-Y20 HydrophobicContact CG2-CE1 3.9Å; V18-Y20 HydrophobicContact CG2-CE2 4.21Å; V18-F27 HydrophobicContact CG2-CB 4.17Å; V18-F27 HydrophobicContact CG2-CD1 3.57Å; V18-F27 HydrophobicContact CG2-CG 4.35Å; V18-F27 PolarHBondContact N-O 3.32Å; V18-A29 HydrophobicContact CG1-CB 3.82Å; V18-A29 HydrophobicContact CG2-CB 4.18Å; V18-L85 WeakPolarHBondContact CG1-O 3.3Å
19D89.7Confident78.8Confident125 Ų12572.9 Ų72.967%0.66839%0.394SS*.  trans-112.36.9-174.3-60.1-45.9000112.7R17 V21R17-D19 IonicContact CZ-OD1 3.94Å; R17-D19 IonicContact NE-OD1 3.51Å; R17-D19 PolarHBondContact NE-OD1 3.02Å; R17-D19 IonicContact NH2-OD1 2.66Å; D19-V21 VanDerWaalsContact C-N 3.33Å
20Y88.7Confident81.6Confident24 Ų2466.7 Ų66.79%0.09435%0.354CS..SBendtrans-78.8-13.8178.855.8-110.4000114.3V18 F42 V84 Y93 V105V18-Y20 HydrophobicContact CB-CD1 3.83Å; V18-Y20 HydrophobicContact CB-CE1 3.43Å; V18-Y20 VanDerWaalsContact CB-CE1 3.43Å; V18-Y20 HydrophobicContact CG1-CD1 4.32Å; V18-Y20 HydrophobicContact CG1-CE1 3.56Å; V18-Y20 HydrophobicContact CG2-CD1 4.46Å; V18-Y20 HydrophobicContact CG2-CE1 3.9Å; V18-Y20 HydrophobicContact CG2-CE2 4.21Å; Y20-F42 WeakPolarHBondContact OH-CE1 3.41Å; Y20-V84 VanDerWaalsContact CE1-O 3.32Å; Y20-V84 WeakPolarHBondContact CE1-O 3.49Å; Y20-V84 PolarHBondContact OH-O 3.22Å; Y20-Y93 AromaticContact CD1-CD1 3.67Å; Y20-Y93 HydrophobicContact CD1-CD1 3.67Å; Y20-Y93 HydrophobicContact CD1-CD2 4.11Å; Y20-Y93 AromaticContact CD1-CE1 3.37Å; Y20-Y93 HydrophobicContact CD1-CE1 3.37Å; Y20-Y93 AromaticContact CD1-CE2 3.85Å; Y20-Y93 HydrophobicContact CD1-CE2 3.85Å; Y20-Y93 HydrophobicContact CD1-CG 4.03Å; Y20-Y93 AromaticContact CD1-CZ 3.48Å; Y20-Y93 VanDerWaalsContact CD1-CZ 3.48Å; Y20-Y93 HydrophobicContact CD2-CD1 4.06Å; Y20-Y93 HydrophobicContact CD2-CE1 4.47Å; Y20-Y93 HydrophobicContact CD2-CG 4.41Å; Y20-Y93 HydrophobicContact CE1-CD1 4.26Å; Y20-Y93 AromaticContact CE1-CE1 3.72Å; Y20-Y93 HydrophobicContact CE1-CE1 3.72Å; Y20-Y93 AromaticContact CG-CD1 3.56Å; Y20-Y93 HydrophobicContact CG-CD1 3.56Å; Y20-Y93 HydrophobicContact CG-CD2 4.04Å; Y20-Y93 AromaticContact CG-CE1 3.81Å; Y20-Y93 HydrophobicContact CG-CE1 3.81Å; Y20-Y93 HydrophobicContact CG-CE2 4.26Å; Y20-Y93 AromaticContact CG-CG 3.69Å; Y20-Y93 HydrophobicContact CG-CG 3.69Å; Y20-V105 HydrophobicContact CD2-CG1 4.14Å; Y20-V105 HydrophobicContact CE2-CG1 4.39Å; Y20-V105 HydrophobicContact CE2-CG2 4.42Å
21V86.1Confident84.5Confident7 Ų761 Ų614%0.04232%0.315CS..SBendtrans-98.7113.2170.6-174.90000107.9D19 C23 F27 V96 I98 V105D19-V21 VanDerWaalsContact C-N 3.33Å; V21-C23 HydrophobicContact CG1-CB 4.37Å; V21-C23 PolarHBondContact O-N 3.41Å; V21-C23 PolarHBondContact O-SG 2.69Å; V21-F27 HydrophobicContact CB-CB 4.38Å; V21-F27 HydrophobicContact CB-CD1 4.1Å; V21-F27 HydrophobicContact CB-CD2 4.27Å; V21-F27 HydrophobicContact CB-CE1 4.42Å; V21-F27 HydrophobicContact CB-CG 4Å; V21-F27 HydrophobicContact CG1-CD2 4.19Å; V21-F27 HydrophobicContact CG1-CE2 4.28Å; V21-F27 HydrophobicContact CG1-CG 4.43Å; V21-F27 HydrophobicContact CG2-CD1 3.78Å; V21-F27 HydrophobicContact CG2-CE1 3.76Å; V21-F27 HydrophobicContact CG2-CG 4.21Å; V21-F27 HydrophobicContact CG2-CZ 4.2Å; V21-V96 HydrophobicContact CG1-CG1 4.12Å; V21-V96 HydrophobicContact CG2-CG1 4.37Å; V21-I98 HydrophobicContact CG1-CD1 4.14Å; V21-V105 HydrophobicContact CG2-CG2 4.41Å
22N80.7Confident86.7Confident165 Ų16560.9 Ų60.988%0.88231%0.308SS*.  trans-79.688.7175.9-170.914.3000110
23C77.3Confident88.4Confident39 Ų3962.2 Ų62.226%0.26432%0.317SS..  trans-123.9155.4174.642.80000111V21 L25V21-C23 HydrophobicContact CG1-CB 4.37Å; V21-C23 PolarHBondContact O-N 3.41Å; V21-C23 PolarHBondContact O-SG 2.69Å; C23-L25 PolarHBondContact O-N 2.87Å; C23-L25 PolarHBondContact SG-O 2.79Å
24Q80.7Confident89.3Confident204 Ų20464 Ų6495%0.95332%0.317SS*.SBendtrans-62.8-24.1178.4-66.8-178.91.900112.6
25L85Confident89.3Confident81 Ų8168.7 Ų68.742%0.42434%0.338SS..SBendtrans-102.9148.7-179.9-63.7175.5000110.6C23 F27 N44 M46C23-L25 PolarHBondContact O-N 2.87Å; C23-L25 PolarHBondContact SG-O 2.79Å; L25-F27 PolarHBondContact O-N 3.2Å; L25-N44 HydrophobicContact CB-CB 4.36Å; L25-M46 HydrophobicContact CD1-CG 3.61Å
26P89.3Confident89Confident52 Ų5271 Ų7134%0.33836%0.357SS..  trans-55.5133.2170.6-2232.6000111.1Y28P26-Y28 HydrophobicContact CB-CE2 3.77Å
27F92.8Very high88.9Confident3 Ų370.3 Ų70.31%0.01336%0.356CS..EExtended strand (participates in β ladder)trans-105139.4179-151.3-100.6000110.2R17 V18 V21 L25 F42 N44 W49 I98 L103R17-F27 WeakPolarHBondContact CA-O 3.49Å; V18-F27 HydrophobicContact CG2-CB 4.17Å; V18-F27 HydrophobicContact CG2-CD1 3.57Å; V18-F27 HydrophobicContact CG2-CG 4.35Å; V18-F27 PolarHBondContact N-O 3.32Å; V21-F27 HydrophobicContact CB-CB 4.38Å; V21-F27 HydrophobicContact CB-CD1 4.1Å; V21-F27 HydrophobicContact CB-CD2 4.27Å; V21-F27 HydrophobicContact CB-CE1 4.42Å; V21-F27 HydrophobicContact CB-CG 4Å; V21-F27 HydrophobicContact CG1-CD2 4.19Å; V21-F27 HydrophobicContact CG1-CE2 4.28Å; V21-F27 HydrophobicContact CG1-CG 4.43Å; V21-F27 HydrophobicContact CG2-CD1 3.78Å; V21-F27 HydrophobicContact CG2-CE1 3.76Å; V21-F27 HydrophobicContact CG2-CG 4.21Å; V21-F27 HydrophobicContact CG2-CZ 4.2Å; L25-F27 PolarHBondContact O-N 3.2Å; F27-F42 HydrophobicContact CE1-CB 3.74Å; F27-F42 AromaticContact CE1-CD1 3.99Å; F27-F42 HydrophobicContact CE1-CD1 3.99Å; F27-F42 HydrophobicContact CE1-CG 4.27Å; F27-F42 HydrophobicContact CZ-CB 3.84Å; F27-N44 HydrophobicContact CD2-CB 3.87Å; F27-N44 HydrophobicContact CE2-CB 4.15Å; F27-W49 HydrophobicContact CE2-CE3 4.29Å; F27-W49 HydrophobicContact CE2-CH2 4.37Å; F27-W49 AromaticContact CE2-CZ3 3.67Å; F27-W49 HydrophobicContact CE2-CZ3 3.67Å; F27-W49 HydrophobicContact CZ-CE3 4.13Å; F27-W49 AromaticContact CZ-CZ3 3.98Å; F27-W49 HydrophobicContact CZ-CZ3 3.98Å; F27-I98 HydrophobicContact CE2-CD1 3.77Å; F27-I98 HydrophobicContact CZ-CD1 4.37Å; F27-L103 HydrophobicContact CE1-CD2 4.12Å; F27-L103 HydrophobicContact CZ-CD1 4.22Å; F27-L103 HydrophobicContact CZ-CD2 3.85Å
28Y94.6Very high88.9Confident70 Ų7063.1 Ų63.128%0.27533%0.329SS..EExtended strand (participates in β ladder)trans-127.6143.2-178.7-58-91.1000110.6K16 R17 P26 F42 T43 M45K16-Y28 CarbonylContact O-C 3.56Å; K16-Y28 WeakPolarHBondContact O-CA 3.2Å; R17-Y28 HydrophobicContact CB-CD1 4.07Å; R17-Y28 HydrophobicContact CB-CE1 3.97Å; R17-Y28 HydrophobicContact CG-CE1 4.48Å; P26-Y28 HydrophobicContact CB-CE2 3.77Å; Y28-F42 CarbonylContact O-C 2.95Å; Y28-F42 VanDerWaalsContact O-CA 3.29Å; Y28-F42 WeakPolarHBondContact O-CA 3.47Å; Y28-T43 HydrophobicContact CD2-CG2 4.44Å; Y28-T43 PolarHBondContact N-O 2.87Å; Y28-T43 PolarHBondContact O-N 2.85Å; Y28-M45 HydrophobicContact CD2-CG 4.45Å; Y28-M45 HydrophobicContact CD2-SD 4.35Å; Y28-M45 HydrophobicContact CE2-CG 4.16Å; Y28-M45 HydrophobicContact CE2-SD 4.3Å
29A95.5Very high89Confident0 Ų064.1 Ų64.10%034%0.335CS..EExtended strand (participates in β ladder)trans-123.6147.5174.300000110.1K16 V18 K41 F42 L85K16-A29 PolarHBondContact N-O 3.43Å; K16-A29 PolarHBondContact O-N 2.89Å; V18-A29 HydrophobicContact CG1-CB 3.82Å; V18-A29 HydrophobicContact CG2-CB 4.18Å; A29-K41 CarbonylContact C-O 3.58Å; A29-K41 VanDerWaalsContact CA-O 3.29Å; A29-K41 WeakPolarHBondContact CA-O 3.49Å; A29-F42 HydrophobicContact CB-CD1 3.83Å; A29-F42 HydrophobicContact CB-CE1 3.92Å; A29-L85 HydrophobicContact CB-CD2 4.06Å
30S94.8Very high89.3Confident6 Ų658.1 Ų58.14%0.04230%0.303CS..EExtended strand (participates in β ladder)trans-138.3146.4171.6-177.70000108.4F40 K41S30-F40 WeakPolarHBondContact O-CA 3.04Å; S30-K41 PolarHBondContact N-O 3.17Å; S30-K41 PolarHBondContact O-N 2.86Å
31A94.4Very high89.6Confident0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-135.9134-178.500000109.1Y12 A13 T39 F40 V81 L85Y12-A31 CarbonylContact C-O 3.57Å; Y12-A31 WeakPolarHBondContact CB-O 3.35Å; Y12-A31 PolarHBondContact O-N 3.41Å; A13-A31 PolarHBondContact N-O 3.16Å; A31-T39 CarbonylContact C-O 3.6Å; A31-T39 WeakPolarHBondContact CA-O 3.45Å; A31-F40 HydrophobicContact CB-CD1 3.7Å; A31-F40 HydrophobicContact CB-CE1 3.83Å; A31-V81 HydrophobicContact CB-CG1 3.76Å; A31-V81 HydrophobicContact CB-CG2 4.38Å; A31-L85 HydrophobicContact CB-CD1 4.27Å; A31-L85 HydrophobicContact CB-CD2 4.13Å; A31-L85 HydrophobicContact CB-CG 4.2Å
32V91.6Very high90.1Very high31 Ų3158.4 Ų58.419%0.18830%0.304CS..EExtended strand (participates in β ladder)trans-139.4131.7-178.5177.90000108.7A13 I34 T39A13-V32 HydrophobicContact CB-CG2 3.77Å; V32-I34 HydrophobicContact CG1-CB 4.49Å; V32-I34 HydrophobicContact CG1-CD1 3.32Å; V32-I34 HydrophobicContact CG1-CG1 3.51Å; V32-T39 PolarHBondContact N-O 2.88Å; V32-T39 PolarHBondContact O-N 2.88Å
33I89Confident90.7Very high71 Ų7150.6 Ų50.636%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-115.7110.9173.1-55.8176.7000106.3I37 V38 H77 V81I33-I37 WeakPolarHBondContact CA-O 3.29Å; I33-V38 HydrophobicContact CG1-CG1 4.28Å; I33-V38 HydrophobicContact CG1-CG2 4.24Å; I33-V38 HydrophobicContact CG2-CG2 4.41Å; I33-H77 HydrophobicContact CD1-CB 4.42Å; I33-V81 HydrophobicContact CD1-CG2 3.86Å; I33-V81 HydrophobicContact CG1-CG2 4.42Å
34I88.7Confident91.3Very high101 Ų10149.7 Ų49.752%0.51826%0.255SS..EExtended strand (participates in β ladder)trans-136.1131.9179.2-68.5167.4000108.1V32 D36 I37V32-I34 HydrophobicContact CG1-CB 4.49Å; V32-I34 HydrophobicContact CG1-CD1 3.32Å; V32-I34 HydrophobicContact CG1-CG1 3.51Å; I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 2.85Å; I34-I37 PolarHBondContact N-O 2.78Å; I34-I37 WeakPolarHBondContact O-CA 3.46Å; I34-I37 WeakPolarHBondContact O-CB 3.47Å; I34-I37 PolarHBondContact O-N 3.1Å
35D85.3Confident91.6Very high147 Ų14743.7 Ų43.779%0.78623%0.228SC*.THydrogen-bonded Turntrans46.849.7170.6-57.5-30.9000113.7I37D35-I37 PolarHBondContact O-N 2.89Å
36D85.7Confident91.8Very high127 Ų12745.7 Ų45.768%0.67924%0.237SC*.THydrogen-bonded Turntrans62.517-177-59.6-43.5000115.1I34 D54 A55I34-D36 VanDerWaalsContact C-N 3.31Å; I34-D36 PolarHBondContact O-N 2.85Å; D36-D54 CarbonylContact O-C 3.47Å; D36-A55 HydrophobicContact CB-CB 3.76Å; D36-A55 WeakPolarHBondContact O-CA 3.29Å; D36-A55 VanDerWaalsContact O-CB 3.23Å; D36-A55 WeakPolarHBondContact O-CB 3.36Å; D36-A55 PolarHBondContact O-N 3.26Å
37I91.5Very high91.9Very high67 Ų6745.5 Ų45.534%0.34423%0.231SC..EExtended strand (participates in β ladder)trans-112.3121.9173.5-57.4175.6000108.9I33 I34 D35 I52I33-I37 WeakPolarHBondContact CA-O 3.29Å; I34-I37 PolarHBondContact N-O 2.78Å; I34-I37 WeakPolarHBondContact O-CA 3.46Å; I34-I37 WeakPolarHBondContact O-CB 3.47Å; I34-I37 PolarHBondContact O-N 3.1Å; D35-I37 PolarHBondContact O-N 2.89Å; I37-I52 HydrophobicContact CG2-CG2 3.62Å
38V92.5Very high91.9Very high2 Ų245.5 Ų45.51%0.01223%0.231CC..EExtended strand (participates in β ladder)trans-97.3117.8173.6-174.60000108.4I33 F40 L53 F58I33-V38 HydrophobicContact CG1-CG1 4.28Å; I33-V38 HydrophobicContact CG1-CG2 4.24Å; I33-V38 HydrophobicContact CG2-CG2 4.41Å; V38-F40 HydrophobicContact CG1-CD2 4.29Å; V38-F40 HydrophobicContact CG1-CE1 4.18Å; V38-F40 HydrophobicContact CG1-CE2 3.6Å; V38-F40 HydrophobicContact CG1-CZ 3.53Å; V38-L53 PolarHBondContact N-O 2.62Å; V38-L53 PolarHBondContact O-N 3.48Å; V38-F58 HydrophobicContact CB-CD2 3.91Å; V38-F58 HydrophobicContact CB-CE2 4.4Å; V38-F58 HydrophobicContact CB-CG 4.38Å; V38-F58 HydrophobicContact CG1-CD2 3.86Å; V38-F58 HydrophobicContact CG1-CE2 3.87Å; V38-F58 HydrophobicContact CG2-CB 4.25Å; V38-F58 HydrophobicContact CG2-CD1 4.42Å; V38-F58 HydrophobicContact CG2-CD2 3.88Å; V38-F58 HydrophobicContact CG2-CE2 4.37Å; V38-F58 HydrophobicContact CG2-CG 3.91Å
39T94.3Very high92Very high24 Ų2442.3 Ų42.315%0.14722%0.219CC..EExtended strand (participates in β ladder)trans-116.1119.8178.4-56.90000110.2A31 V32 K41 E51 I52A31-T39 CarbonylContact C-O 3.6Å; A31-T39 WeakPolarHBondContact CA-O 3.45Å; V32-T39 PolarHBondContact N-O 2.88Å; V32-T39 PolarHBondContact O-N 2.88Å; T39-K41 HydrophobicContact CG2-CD 4.41Å; T39-K41 HydrophobicContact CG2-CG 3.93Å; T39-E51 WeakPolarHBondContact CA-O 3.47Å; T39-I52 HydrophobicContact CG2-CG1 4.03Å
40F95.9Very high92.1Very high0 Ų044.4 Ų44.40%023%0.229CC..EExtended strand (participates in β ladder)trans-104.3132.8167.3-58.8-65.9000109.6S30 A31 V38 F42 E50 E51 F58 V80 V81 V84 W118S30-F40 WeakPolarHBondContact O-CA 3.04Å; A31-F40 HydrophobicContact CB-CD1 3.7Å; A31-F40 HydrophobicContact CB-CE1 3.83Å; V38-F40 HydrophobicContact CG1-CD2 4.29Å; V38-F40 HydrophobicContact CG1-CE1 4.18Å; V38-F40 HydrophobicContact CG1-CE2 3.6Å; V38-F40 HydrophobicContact CG1-CZ 3.53Å; F40-F42 HydrophobicContact CB-CE2 3.63Å; F40-F42 HydrophobicContact CB-CZ 3.81Å; F40-E50 CarbonylContact O-C 3.58Å; F40-E50 VanDerWaalsContact O-CA 3.26Å; F40-E50 WeakPolarHBondContact O-CA 3.16Å; F40-E51 HydrophobicContact CB-CB 4.38Å; F40-E51 PolarHBondContact N-O 2.95Å; F40-E51 PolarHBondContact O-N 2.89Å; F40-F58 HydrophobicContact CE2-CD2 4.4Å; F40-F58 AromaticContact CE2-CE2 3.9Å; F40-F58 HydrophobicContact CE2-CE2 3.9Å; F40-F58 AromaticContact CZ-CE2 3.92Å; F40-F58 HydrophobicContact CZ-CE2 3.92Å; F40-V80 HydrophobicContact CZ-CG1 4.07Å; F40-V81 HydrophobicContact CE1-CG2 4.22Å; F40-V84 HydrophobicContact CD1-CB 4.2Å; F40-V84 HydrophobicContact CD1-CG1 3.71Å; F40-V84 HydrophobicContact CD1-CG2 4.27Å; F40-V84 HydrophobicContact CE1-CB 4.1Å; F40-V84 HydrophobicContact CE1-CG1 4.14Å; F40-V84 HydrophobicContact CE1-CG2 3.98Å; F40-V84 HydrophobicContact CG-CG1 4.28Å; F40-V84 HydrophobicContact CZ-CG2 4.23Å; F40-W118 AromaticContact CE2-CZ2 3.84Å; F40-W118 HydrophobicContact CE2-CZ2 3.84Å
41K95.9Very high92.2Very high36 Ų3644.6 Ų44.616%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-125.3142.1176.9-59.2-177.5-178.9168.70110W15 A29 S30 T39 L48 W49 E50 E133W15-K41 HydrophobicContact CH2-CB 3.57Å; W15-K41 HydrophobicContact CZ2-CB 4.31Å; W15-K41 HydrophobicContact CZ3-CB 4.1Å; A29-K41 CarbonylContact C-O 3.58Å; A29-K41 VanDerWaalsContact CA-O 3.29Å; A29-K41 WeakPolarHBondContact CA-O 3.49Å; S30-K41 PolarHBondContact N-O 3.17Å; S30-K41 PolarHBondContact O-N 2.86Å; T39-K41 HydrophobicContact CG2-CD 4.41Å; T39-K41 HydrophobicContact CG2-CG 3.93Å; K41-L48 HydrophobicContact CB-CD1 4.27Å; K41-W49 CarbonylContact C-O 3.56Å; K41-W49 WeakPolarHBondContact CA-O 3.49Å; K41-E50 HydrophobicContact CG-CB 4.29Å; K41-E133 HydrophobicContact CD-CG 4.44Å; K41-E133 VanDerWaalsContact NZ-CD 3.29Å; K41-E133 IonicContact NZ-OE1 2.67Å; K41-E133 PolarHBondContact NZ-OE1 3.5Å; K41-E133 IonicContact NZ-OE2 2.62Å
42F95.9Very high92.2Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-136136.3-176.7-55.5-84.2000109.8Y20 F27 Y28 A29 F40 L48 W49 V84 L103 I120 A122Y20-F42 WeakPolarHBondContact OH-CE1 3.41Å; F27-F42 HydrophobicContact CE1-CB 3.74Å; F27-F42 AromaticContact CE1-CD1 3.99Å; F27-F42 HydrophobicContact CE1-CD1 3.99Å; F27-F42 HydrophobicContact CE1-CG 4.27Å; F27-F42 HydrophobicContact CZ-CB 3.84Å; Y28-F42 CarbonylContact O-C 2.95Å; Y28-F42 VanDerWaalsContact O-CA 3.29Å; Y28-F42 WeakPolarHBondContact O-CA 3.47Å; A29-F42 HydrophobicContact CB-CD1 3.83Å; A29-F42 HydrophobicContact CB-CE1 3.92Å; F40-F42 HydrophobicContact CB-CE2 3.63Å; F40-F42 HydrophobicContact CB-CZ 3.81Å; F42-L48 CarbonylContact O-C 3.53Å; F42-L48 WeakPolarHBondContact O-CA 3.36Å; F42-L48 WeakPolarHBondContact O-CD1 3.47Å; F42-W49 HydrophobicContact CB-CB 4.41Å; F42-W49 HydrophobicContact CB-CE3 4.37Å; F42-W49 PolarHBondContact N-O 2.76Å; F42-W49 PolarHBondContact O-N 2.69Å; F42-V84 HydrophobicContact CE1-CG1 3.7Å; F42-V84 HydrophobicContact CZ-CG1 3.62Å; F42-L103 HydrophobicContact CB-CD2 3.59Å; F42-L103 HydrophobicContact CD1-CD2 3.95Å; F42-L103 HydrophobicContact CD2-CD2 3.68Å; F42-L103 HydrophobicContact CE2-CD2 4.34Å; F42-L103 HydrophobicContact CG-CD2 3.44Å; F42-L103 VanDerWaalsContact CG-CD2 3.44Å; F42-I120 HydrophobicContact CD2-CG2 4.42Å; F42-I120 HydrophobicContact CE1-CD1 3.97Å; F42-I120 HydrophobicContact CE1-CG2 4.41Å; F42-I120 HydrophobicContact CE2-CG2 3.55Å; F42-I120 HydrophobicContact CZ-CD1 3.78Å; F42-I120 HydrophobicContact CZ-CG1 4.19Å; F42-I120 HydrophobicContact CZ-CG2 3.54Å; F42-A122 HydrophobicContact CD2-CB 3.81Å; F42-A122 HydrophobicContact CE2-CB 3.97Å
43T93.7Very high92.4Very high2 Ų248.5 Ų48.51%0.01225%0.247CC..EExtended strand (participates in β ladder)trans-147.2144.2178.5-1730000112.2W15 Y28 M45 H47 I134W15-T43 HydrophobicContact CE3-CG2 3.92Å; W15-T43 HydrophobicContact CH2-CG2 3.79Å; W15-T43 HydrophobicContact CZ2-CG2 4.41Å; W15-T43 HydrophobicContact CZ3-CG2 3.53Å; Y28-T43 HydrophobicContact CD2-CG2 4.44Å; Y28-T43 PolarHBondContact N-O 2.87Å; Y28-T43 PolarHBondContact O-N 2.85Å; T43-M45 HydrophobicContact CG2-SD 4.48Å; T43-M45 PolarHBondContact OG1-N 3.25Å; T43-H47 VanDerWaalsContact CA-O 3.3Å; T43-H47 WeakPolarHBondContact CA-O 3.32Å; T43-H47 WeakPolarHBondContact CB-O 3.44Å; T43-H47 PolarHBondContact OG1-O 2.86Å; T43-I134 HydrophobicContact CG2-CD1 3.9Å
44N91.1Very high92.6Very high20 Ų2049.6 Ų49.611%0.10725%0.254CS..  trans-106.521.9165.666.9-0.6000111.5L25 F27 M46 H47L25-N44 HydrophobicContact CB-CB 4.36Å; F27-N44 HydrophobicContact CD2-CB 3.87Å; F27-N44 HydrophobicContact CE2-CB 4.15Å; N44-M46 PolarHBondContact O-N 3.19Å; N44-M46 WeakPolarHBondContact OD1-CA 3.45Å; N44-M46 WeakPolarHBondContact OD1-CB 3.35Å; N44-M46 PolarHBondContact OD1-N 3.42Å; N44-H47 PolarHBondContact N-O 3.48Å; N44-H47 PolarHBondContact OD1-N 3.08Å
45M87.2Confident92.7Very high78 Ų7845.6 Ų45.638%0.38424%0.236SC..SBendtrans67.3-13.9-172.1-54-62.1-67.200115.8Y28 T43 I134 L138Y28-M45 HydrophobicContact CD2-CG 4.45Å; Y28-M45 HydrophobicContact CD2-SD 4.35Å; Y28-M45 HydrophobicContact CE2-CG 4.16Å; Y28-M45 HydrophobicContact CE2-SD 4.3Å; T43-M45 HydrophobicContact CG2-SD 4.48Å; T43-M45 PolarHBondContact OG1-N 3.25Å; M45-I134 HydrophobicContact CE-CG2 4.31Å; M45-L138 HydrophobicContact CE-CD1 3.72Å; M45-L138 HydrophobicContact CE-CD2 4Å; M45-L138 HydrophobicContact CE-CG 4.3Å
46M88.6Confident93.1Very high123 Ų12346.7 Ų46.761%0.60624%0.237SC*.SBendtrans-99.7-36.1176.1-61.7-57.8-59.800112.1L25 N44 F130L25-M46 HydrophobicContact CD1-CG 3.61Å; N44-M46 PolarHBondContact O-N 3.19Å; N44-M46 WeakPolarHBondContact OD1-CA 3.45Å; N44-M46 WeakPolarHBondContact OD1-CB 3.35Å; N44-M46 PolarHBondContact OD1-N 3.42Å; M46-F130 WeakPolarHBondContact O-CE2 3.25Å
47H91.2Very high93.5Very high48 Ų4844.2 Ų44.222%0.22223%0.226CC..  trans-129.1156.2178.9-61.988.6000109.7T43 N44 W49T43-H47 VanDerWaalsContact CA-O 3.3Å; T43-H47 WeakPolarHBondContact CA-O 3.32Å; T43-H47 WeakPolarHBondContact CB-O 3.44Å; T43-H47 PolarHBondContact OG1-O 2.86Å; N44-H47 PolarHBondContact N-O 3.48Å; N44-H47 PolarHBondContact OD1-N 3.08Å; H47-W49 HydrophobicContact CB-CE3 4.38Å; H47-W49 HydrophobicContact CB-CH2 3.43Å; H47-W49 VanDerWaalsContact CB-CH2 3.43Å; H47-W49 HydrophobicContact CB-CZ2 3.59Å; H47-W49 HydrophobicContact CB-CZ3 3.84Å
48L93.6Very high93.6Very high3 Ų341 Ų412%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-125.6128.5172.6176.869.9000107.6W15 K41 F42 A125 A129 F130 E133W15-L48 HydrophobicContact CH2-CD1 3.66Å; W15-L48 HydrophobicContact CZ2-CD1 4.27Å; K41-L48 HydrophobicContact CB-CD1 4.27Å; F42-L48 CarbonylContact O-C 3.53Å; F42-L48 WeakPolarHBondContact O-CA 3.36Å; F42-L48 WeakPolarHBondContact O-CD1 3.47Å; L48-A125 HydrophobicContact CB-CB 4.06Å; L48-A125 HydrophobicContact CD2-CB 3.62Å; L48-A125 HydrophobicContact CG-CB 3.6Å; L48-A125 WeakPolarHBondContact O-CB 3.37Å; L48-A125 PolarHBondContact O-N 3.03Å; L48-A129 HydrophobicContact CD2-CB 4.27Å; L48-F130 HydrophobicContact CB-CB 4.47Å; L48-F130 HydrophobicContact CB-CD2 3.65Å; L48-F130 HydrophobicContact CB-CE2 4.46Å; L48-F130 HydrophobicContact CD2-CB 4.44Å; L48-E133 HydrophobicContact CD2-CB 4.13Å; L48-E133 HydrophobicContact CD2-CG 4.31Å
49W96.8Very high93.6Very high3 Ų342.9 Ų42.91%0.01122%0.219CC..EExtended strand (participates in β ladder)trans-114.1144.2169.2-56-93.5000108.9F27 K41 F42 H47 I98 T99 E100 L103 A122 K123F27-W49 HydrophobicContact CE2-CE3 4.29Å; F27-W49 HydrophobicContact CE2-CH2 4.37Å; F27-W49 AromaticContact CE2-CZ3 3.67Å; F27-W49 HydrophobicContact CE2-CZ3 3.67Å; F27-W49 HydrophobicContact CZ-CE3 4.13Å; F27-W49 AromaticContact CZ-CZ3 3.98Å; F27-W49 HydrophobicContact CZ-CZ3 3.98Å; K41-W49 CarbonylContact C-O 3.56Å; K41-W49 WeakPolarHBondContact CA-O 3.49Å; F42-W49 HydrophobicContact CB-CB 4.41Å; F42-W49 HydrophobicContact CB-CE3 4.37Å; F42-W49 PolarHBondContact N-O 2.76Å; F42-W49 PolarHBondContact O-N 2.69Å; H47-W49 HydrophobicContact CB-CE3 4.38Å; H47-W49 HydrophobicContact CB-CH2 3.43Å; H47-W49 VanDerWaalsContact CB-CH2 3.43Å; H47-W49 HydrophobicContact CB-CZ2 3.59Å; H47-W49 HydrophobicContact CB-CZ3 3.84Å; W49-I98 HydrophobicContact CH2-CD1 3.72Å; W49-I98 HydrophobicContact CH2-CG1 4.1Å; W49-I98 HydrophobicContact CZ2-CD1 4.13Å; W49-I98 HydrophobicContact CZ2-CG1 3.97Å; W49-I98 HydrophobicContact CZ3-CD1 4.26Å; W49-T99 VanDerWaalsContact CZ2-O 3.32Å; W49-T99 WeakPolarHBondContact CZ2-O 3.34Å; W49-T99 PolarHBondContact NE1-O 3.47Å; W49-T99 VanDerWaalsContact NE1-O 3.08Å; W49-E100 PolarHBondContact NE1-O 3.5Å; W49-L103 HydrophobicContact CB-CB 4.25Å; W49-L103 HydrophobicContact CD2-CB 4.34Å; W49-L103 HydrophobicContact CG-CB 3.99Å; W49-A122 HydrophobicContact CB-CB 3.81Å; W49-K123 CarbonylContact C-O 3.53Å; W49-K123 WeakPolarHBondContact CA-O 3.47Å
50E96.2Very high93.5Very high44 Ų4446.7 Ų46.721%0.20624%0.236CC..EExtended strand (participates in β ladder)trans-135147.1175.568.1-170.7172.300111.7F40 K41 I52 A122 K123 A125F40-E50 CarbonylContact O-C 3.58Å; F40-E50 VanDerWaalsContact O-CA 3.26Å; F40-E50 WeakPolarHBondContact O-CA 3.16Å; K41-E50 HydrophobicContact CG-CB 4.29Å; E50-I52 HydrophobicContact CG-CD1 4.37Å; E50-A122 WeakPolarHBondContact O-CA 3.46Å; E50-K123 PolarHBondContact N-O 3.38Å; E50-K123 PolarHBondContact O-N 3.08Å; E50-A125 HydrophobicContact CB-CB 4.35Å; E50-A125 HydrophobicContact CG-CB 3.84Å
51E96.5Very high93.5Very high9 Ų948.3 Ų48.34%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-126.9112.4171178.2164.6-147.800107.1T39 F40 L53 K61 T121 A122T39-E51 WeakPolarHBondContact CA-O 3.47Å; F40-E51 HydrophobicContact CB-CB 4.38Å; F40-E51 PolarHBondContact N-O 2.95Å; F40-E51 PolarHBondContact O-N 2.89Å; E51-L53 HydrophobicContact CG-CD1 4.01Å; E51-L53 HydrophobicContact CG-CD2 4.2Å; E51-L53 HydrophobicContact CG-CG 3.89Å; E51-K61 IonicContact OE1-NZ 3.7Å; E51-K61 PolarHBondContact OE1-NZ 3.29Å; E51-K61 IonicContact OE2-NZ 2.83Å; E51-T121 PolarHBondContact OE1-N 2.88Å; E51-T121 PolarHBondContact OE1-OG1 3.23Å; E51-T121 PolarHBondContact OE2-N 3.46Å; E51-A122 HydrophobicContact CB-CB 3.99Å
52I94.8Very high93.4Very high94 Ų9446.6 Ų46.648%0.48224%0.235SC..EExtended strand (participates in β ladder)trans-110.4120.9180-58.5167.2000106.7I37 T39 E50I37-I52 HydrophobicContact CG2-CG2 3.62Å; T39-I52 HydrophobicContact CG2-CG1 4.03Å; E50-I52 HydrophobicContact CG-CD1 4.37Å
53L95.8Very high93.2Very high19 Ų1949.4 Ų49.410%0.09925%0.25CS..EExtended strand (participates in β ladder)trans-129.5128.1-177.5-59.5171.4000109.3V38 E51 V57 F58 K61 W118V38-L53 PolarHBondContact N-O 2.62Å; V38-L53 PolarHBondContact O-N 3.48Å; E51-L53 HydrophobicContact CG-CD1 4.01Å; E51-L53 HydrophobicContact CG-CD2 4.2Å; E51-L53 HydrophobicContact CG-CG 3.89Å; L53-V57 HydrophobicContact CD2-CG1 3.94Å; L53-F58 HydrophobicContact CB-CB 4.21Å; L53-F58 HydrophobicContact CD1-CD2 4.03Å; L53-K61 HydrophobicContact CD1-CD 4.23Å; L53-W118 HydrophobicContact CD1-CH2 3.96Å; L53-W118 HydrophobicContact CD1-CZ2 3.83Å
54D94.3Very high93.2Very high94 Ų9454.6 Ų54.650%0.50328%0.278SS..EExtended strand (participates in β ladder)trans-64151.9165.4-60.5-28.9000109.6D36 Q56 V57 F58D36-D54 CarbonylContact O-C 3.47Å; D54-Q56 PolarHBondContact O-N 2.94Å; D54-Q56 VanDerWaalsContact O-N 3.12Å; D54-V57 HydrophobicContact CB-CG2 4.28Å; D54-V57 CarbonylContact O-C 3.53Å; D54-V57 PolarHBondContact O-N 3.45Å; D54-F58 WeakPolarHBondContact O-CB 3.43Å; D54-F58 PolarHBondContact O-N 2.85Å
55A90.7Very high93.3Very high18 Ų1856.5 Ų56.515%0.14929%0.288CS..Hα-helixtrans-56.4-35.9-176.700000112.1D36 N59D36-A55 HydrophobicContact CB-CB 3.76Å; D36-A55 WeakPolarHBondContact O-CA 3.29Å; D36-A55 VanDerWaalsContact O-CB 3.23Å; D36-A55 WeakPolarHBondContact O-CB 3.36Å; D36-A55 PolarHBondContact O-N 3.26Å; A55-N59 VanDerWaalsContact O-CB 3.29Å; A55-N59 WeakPolarHBondContact O-CB 3.19Å; A55-N59 PolarHBondContact O-N 3.23Å; A55-N59 PolarHBondContact O-ND2 2.86Å; A55-N59 PolarHBondContact O-OD1 2.82Å
56Q92.2Very high93.5Very high169 Ų16953.1 Ų53.179%0.7927%0.271SS*.Hα-helixtrans-65-45.3175.4-66.2-175.3-10.100112D54 N59 Q60D54-Q56 PolarHBondContact O-N 2.94Å; D54-Q56 VanDerWaalsContact O-N 3.12Å; Q56-N59 PolarHBondContact O-N 2.96Å; Q56-Q60 WeakPolarHBondContact O-CB 3.46Å; Q56-Q60 PolarHBondContact O-N 2.81Å
57V94.2Very high93.4Very high76 Ų7651.6 Ų51.646%0.46128%0.278SS..Hα-helixtrans-68.2-39.8178.7-178.40000110.4L53 D54 Q60 K61L53-V57 HydrophobicContact CD2-CG1 3.94Å; D54-V57 HydrophobicContact CB-CG2 4.28Å; D54-V57 CarbonylContact O-C 3.53Å; D54-V57 PolarHBondContact O-N 3.45Å; V57-Q60 PolarHBondContact O-N 2.94Å; V57-K61 WeakPolarHBondContact O-CB 3.47Å; V57-K61 PolarHBondContact O-N 2.75Å
58F94.2Very high93.1Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-59-49.4174.2-177.6-89.4000111.2V38 F40 L53 D54 K61 L62 H77 V80 W118V38-F58 HydrophobicContact CB-CD2 3.91Å; V38-F58 HydrophobicContact CB-CE2 4.4Å; V38-F58 HydrophobicContact CB-CG 4.38Å; V38-F58 HydrophobicContact CG1-CD2 3.86Å; V38-F58 HydrophobicContact CG1-CE2 3.87Å; V38-F58 HydrophobicContact CG2-CB 4.25Å; V38-F58 HydrophobicContact CG2-CD1 4.42Å; V38-F58 HydrophobicContact CG2-CD2 3.88Å; V38-F58 HydrophobicContact CG2-CE2 4.37Å; V38-F58 HydrophobicContact CG2-CG 3.91Å; F40-F58 HydrophobicContact CE2-CD2 4.4Å; F40-F58 AromaticContact CE2-CE2 3.9Å; F40-F58 HydrophobicContact CE2-CE2 3.9Å; F40-F58 AromaticContact CZ-CE2 3.92Å; F40-F58 HydrophobicContact CZ-CE2 3.92Å; L53-F58 HydrophobicContact CB-CB 4.21Å; L53-F58 HydrophobicContact CD1-CD2 4.03Å; D54-F58 WeakPolarHBondContact O-CB 3.43Å; D54-F58 PolarHBondContact O-N 2.85Å; F58-K61 PolarHBondContact O-N 3.47Å; F58-L62 HydrophobicContact CE1-CD2 4.28Å; F58-L62 WeakPolarHBondContact O-CB 3.36Å; F58-L62 PolarHBondContact O-N 2.9Å; F58-H77 AromaticContact CD1-CD2 3.9Å; F58-H77 AromaticContact CD1-NE2 3.71Å; F58-H77 HydrophobicContact CE1-CB 4.42Å; F58-H77 AromaticContact CE1-CD2 3.4Å; F58-H77 VanDerWaalsContact CE1-CD2 3.4Å; F58-H77 WeakPolarHBondContact CE1-CD2 3.47Å; F58-H77 AromaticContact CE1-CG 3.87Å; F58-H77 AromaticContact CE1-NE2 3.72Å; F58-V80 HydrophobicContact CE2-CG1 3.95Å; F58-V80 HydrophobicContact CZ-CB 3.87Å; F58-V80 HydrophobicContact CZ-CG1 3.75Å; F58-V80 HydrophobicContact CZ-CG2 4.09Å; F58-W118 AromaticContact CD2-CH2 3.4Å; F58-W118 HydrophobicContact CD2-CH2 3.4Å; F58-W118 VanDerWaalsContact CD2-CH2 3.4Å; F58-W118 AromaticContact CD2-CZ2 3.92Å; F58-W118 HydrophobicContact CD2-CZ2 3.92Å; F58-W118 HydrophobicContact CD2-CZ3 4.24Å; F58-W118 AromaticContact CE2-CH2 3.33Å; F58-W118 HydrophobicContact CE2-CH2 3.33Å; F58-W118 AromaticContact CE2-CZ2 3.64Å; F58-W118 HydrophobicContact CE2-CZ2 3.64Å; F58-W118 AromaticContact CE2-CZ3 3.95Å; F58-W118 HydrophobicContact CE2-CZ3 3.95Å; F58-W118 HydrophobicContact CG-CH2 4.2Å; F58-W118 HydrophobicContact CZ-CH2 4.09Å; F58-W118 HydrophobicContact CZ-CZ3 4.27Å
59N93Very high92.7Very high40 Ų4056.9 Ų56.921%0.21431%0.309CS..Hα-helixtrans-63.3-44.4178.1-71.2-14.3000111.9A55 Q56 L62 L63 V73 H77A55-N59 VanDerWaalsContact O-CB 3.29Å; A55-N59 WeakPolarHBondContact O-CB 3.19Å; A55-N59 PolarHBondContact O-N 3.23Å; A55-N59 PolarHBondContact O-ND2 2.86Å; A55-N59 PolarHBondContact O-OD1 2.82Å; Q56-N59 PolarHBondContact O-N 2.96Å; N59-L62 PolarHBondContact O-N 2.69Å; N59-L63 WeakPolarHBondContact O-CG 3.38Å; N59-L63 PolarHBondContact O-N 2.82Å; N59-V73 HydrophobicContact CB-CG2 3.74Å; N59-V73 VanDerWaalsContact CG-CG2 3.48Å; N59-V73 VanDerWaalsContact OD1-CG2 3.25Å; N59-V73 WeakPolarHBondContact OD1-CG2 3.31Å; N59-H77 PolarHBondContact OD1-CE1 2.96Å; N59-H77 PolarHBondContact OD1-NE2 2.87Å
60Q93Very high92Very high105 Ų10562.9 Ų62.949%0.49135%0.347SS..Hα-helixtrans-61.4-47.9177.7-173.661.843.400110.9Q56 V57 L62 L63 D64Q56-Q60 WeakPolarHBondContact O-CB 3.46Å; Q56-Q60 PolarHBondContact O-N 2.81Å; V57-Q60 PolarHBondContact O-N 2.94Å; Q60-L62 VanDerWaalsContact C-N 3.26Å; Q60-L62 PolarHBondContact O-N 3.12Å; Q60-L63 PolarHBondContact O-N 3.46Å; Q60-D64 PolarHBondContact NE2-OD1 3.37Å; Q60-D64 WeakPolarHBondContact O-CB 3.37Å; Q60-D64 PolarHBondContact O-N 2.91Å
61K94.6Very high91.5Very high34 Ų3463.7 Ų63.715%0.14837%0.367CS..Hα-helixtrans-59.5-38.3177-177.4174.2175.6-177.70112E51 L53 V57 F58 L65 W118 K119 T121E51-K61 IonicContact OE1-NZ 3.7Å; E51-K61 PolarHBondContact OE1-NZ 3.29Å; E51-K61 IonicContact OE2-NZ 2.83Å; L53-K61 HydrophobicContact CD1-CD 4.23Å; V57-K61 WeakPolarHBondContact O-CB 3.47Å; V57-K61 PolarHBondContact O-N 2.75Å; F58-K61 PolarHBondContact O-N 3.47Å; K61-L65 HydrophobicContact CG-CD1 4.23Å; K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.28Å; K61-L65 PolarHBondContact O-N 3.3Å; K61-L65 VanDerWaalsContact O-N 3.16Å; K61-W118 HydrophobicContact CB-CH2 4.31Å; K61-W118 HydrophobicContact CB-CZ3 4.28Å; K61-W118 HydrophobicContact CD-CH2 3.68Å; K61-W118 HydrophobicContact CD-CZ2 4.07Å; K61-W118 HydrophobicContact CD-CZ3 4.13Å; K61-W118 HydrophobicContact CG-CH2 4.01Å; K61-W118 HydrophobicContact CG-CZ3 3.96Å; K61-K119 WeakPolarHBondContact CE-O 3.32Å; K61-K119 PolarHBondContact NZ-O 2.95Å; K61-T121 PolarHBondContact NZ-OG1 3Å
62L93.3Very high91.1Very high0 Ų069 Ų690%040%0.395CS..Hα-helixtrans-67.6-42.3177.9-171.160.8000112F58 N59 Q60 N66 V73 L76 V80 L116 W118F58-L62 HydrophobicContact CE1-CD2 4.28Å; F58-L62 WeakPolarHBondContact O-CB 3.36Å; F58-L62 PolarHBondContact O-N 2.9Å; N59-L62 PolarHBondContact O-N 2.69Å; Q60-L62 VanDerWaalsContact C-N 3.26Å; Q60-L62 PolarHBondContact O-N 3.12Å; L62-N66 WeakPolarHBondContact O-CB 3.45Å; L62-N66 PolarHBondContact O-N 3.33Å; L62-N66 VanDerWaalsContact O-N 3.15Å; L62-N66 PolarHBondContact O-ND2 3.09Å; L62-V73 HydrophobicContact CD2-CB 3.86Å; L62-V73 HydrophobicContact CD2-CG1 4.5Å; L62-V73 HydrophobicContact CD2-CG2 4.24Å; L62-L76 HydrophobicContact CD2-CB 3.82Å; L62-L76 HydrophobicContact CD2-CD1 4.19Å; L62-V80 HydrophobicContact CD1-CG2 3.75Å; L62-V80 HydrophobicContact CD2-CG2 4.41Å; L62-L116 HydrophobicContact CD1-CD1 4.07Å; L62-W118 HydrophobicContact CB-CZ3 4.13Å; L62-W118 HydrophobicContact CD1-CE3 3.95Å; L62-W118 HydrophobicContact CD1-CZ3 4.18Å
63L93.3Very high90.8Very high59 Ų5964.7 Ų64.731%0.30937%0.374SS..Hα-helixtrans-66.6-42.9175.4-71.5170.6000111.9N59 Q60 L65 N66 V69 V73N59-L63 WeakPolarHBondContact O-CG 3.38Å; N59-L63 PolarHBondContact O-N 2.82Å; Q60-L63 PolarHBondContact O-N 3.46Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.42Å; L63-N66 CarbonylContact O-C 3.46Å; L63-N66 PolarHBondContact O-N 2.83Å; L63-N66 VanDerWaalsContact O-N 3.16Å; L63-V69 HydrophobicContact CD2-CG1 4.48Å; L63-V73 HydrophobicContact CD2-CG1 3.53Å; L63-V73 HydrophobicContact CG-CG1 3.95Å
64D92.9Very high90.4Very high111 Ų11167.2 Ų67.259%0.59439%0.39SS*.Hα-helixtrans-61.9-37.4179.8-70-17.1000111.9Q60Q60-D64 PolarHBondContact NE2-OD1 3.37Å; Q60-D64 WeakPolarHBondContact O-CB 3.37Å; Q60-D64 PolarHBondContact O-N 2.91Å
65L92.9Very high90.1Very high60 Ų6066.9 Ų66.931%0.31439%0.393SS..Hα-helixtrans-79.8-23.3177.6-69.3174.6000113.3K61 L63 L117 W118 K119K61-L65 HydrophobicContact CG-CD1 4.23Å; K61-L65 WeakPolarHBondContact O-CB 3.43Å; K61-L65 VanDerWaalsContact O-CG 3.3Å; K61-L65 WeakPolarHBondContact O-CG 3.28Å; K61-L65 PolarHBondContact O-N 3.3Å; K61-L65 VanDerWaalsContact O-N 3.16Å; L63-L65 VanDerWaalsContact C-N 3.29Å; L63-L65 PolarHBondContact O-N 3.42Å; L65-L117 HydrophobicContact CB-CB 4.4Å; L65-W118 HydrophobicContact CD1-CE3 4.36Å; L65-K119 HydrophobicContact CD1-CB 4.1Å
66N92.5Very high90Very high6 Ų667.2 Ų67.23%0.03239%0.392CS..  trans-12870.9-171.9-59.4-84.6000111.2L62 L63 N68 V69 L117L62-N66 WeakPolarHBondContact O-CB 3.45Å; L62-N66 PolarHBondContact O-N 3.33Å; L62-N66 VanDerWaalsContact O-N 3.15Å; L62-N66 PolarHBondContact O-ND2 3.09Å; L63-N66 CarbonylContact O-C 3.46Å; L63-N66 PolarHBondContact O-N 2.83Å; L63-N66 VanDerWaalsContact O-N 3.16Å; N66-N68 PolarHBondContact O-N 2.76Å; N66-V69 HydrophobicContact CB-CB 4.32Å; N66-V69 HydrophobicContact CB-CG2 3.76Å; N66-V69 WeakPolarHBondContact O-CB 3.38Å; N66-V69 PolarHBondContact O-N 2.81Å; N66-L117 PolarHBondContact ND2-O 3.31Å; N66-L117 PolarHBondContact OD1-N 3.42Å
67A86.2Confident90Very high92 Ų9260.4 Ų60.476%0.7636%0.36SS*.THydrogen-bonded Turntrans-56.7-16.5179.700000114.9V69A67-V69 VanDerWaalsContact C-N 3.33Å
68N84Confident89.8Confident120 Ų12060.6 Ų60.664%0.64236%0.359SS*.THydrogen-bonded Turntrans-78-16.6175.9-60.1-31.2000113.4N66N66-N68 PolarHBondContact O-N 2.76Å
69V84.8Confident89.6Confident41 Ų4162.8 Ų62.825%0.24837%0.37CS..  trans-88.6116.5-177.8179.30000108.6L63 N66 A67 V73 L76L63-V69 HydrophobicContact CD2-CG1 4.48Å; N66-V69 HydrophobicContact CB-CB 4.32Å; N66-V69 HydrophobicContact CB-CG2 3.76Å; N66-V69 WeakPolarHBondContact O-CB 3.38Å; N66-V69 PolarHBondContact O-N 2.81Å; A67-V69 VanDerWaalsContact C-N 3.33Å; V69-V73 HydrophobicContact CG1-CG1 3.8Å; V69-L76 HydrophobicContact CG1-CD1 3.8Å; V69-L76 HydrophobicContact CG2-CD1 4.12Å
70T83Confident89.6Confident130 Ų13060.9 Ų60.980%0.79836%0.36SS*.  trans-117.3130.3174.158.50000109.8
71G85.6Confident89.6Confident61 Ų6156 Ų5663%0.62934%0.337SS*.SBendtrans110.6-152.4175.500000113.5V73G71-V73 PolarHBondContact O-N 3.38Å
72D87Confident89.5Confident119 Ų11956.1 Ų56.164%0.63634%0.339SS*.  trans-72.1123.1-179.4-178.219.9000111.1T74D72-T74 VanDerWaalsContact OD1-CB 3.29Å; D72-T74 WeakPolarHBondContact OD1-CB 3.29Å; D72-T74 PolarHBondContact OD1-N 2.89Å; D72-T74 PolarHBondContact OD1-OG1 2.84Å
73V88.9Confident89.5Confident5 Ų556.1 Ų56.13%0.0334%0.339CS..  trans-96.6-2.6-179.1-59.70000113.1N59 L62 L63 V69 G71 P75 L76 H77N59-V73 HydrophobicContact CB-CG2 3.74Å; N59-V73 VanDerWaalsContact CG-CG2 3.48Å; N59-V73 VanDerWaalsContact OD1-CG2 3.25Å; N59-V73 WeakPolarHBondContact OD1-CG2 3.31Å; L62-V73 HydrophobicContact CD2-CB 3.86Å; L62-V73 HydrophobicContact CD2-CG1 4.5Å; L62-V73 HydrophobicContact CD2-CG2 4.24Å; L63-V73 HydrophobicContact CD2-CG1 3.53Å; L63-V73 HydrophobicContact CG-CG1 3.95Å; V69-V73 HydrophobicContact CG1-CG1 3.8Å; G71-V73 PolarHBondContact O-N 3.38Å; V73-P75 VanDerWaalsContact C-N 3.3Å; V73-L76 HydrophobicContact CB-CD1 4.43Å; V73-L76 WeakPolarHBondContact O-CA 3.48Å; V73-L76 VanDerWaalsContact O-CB 3.29Å; V73-L76 WeakPolarHBondContact O-CB 3.38Å; V73-L76 PolarHBondContact O-N 3.49Å; V73-H77 PolarHBondContact O-CD2 2.9Å; V73-H77 VanDerWaalsContact O-CD2 3.27Å
74T88Confident89.5Confident72 Ų7253.3 Ų53.344%0.44233%0.325SS..G310 helixtrans-51.3-41.7178.1-50.80000113.1D72 L76 H77D72-T74 VanDerWaalsContact OD1-CB 3.29Å; D72-T74 WeakPolarHBondContact OD1-CB 3.29Å; D72-T74 PolarHBondContact OD1-N 2.89Å; D72-T74 PolarHBondContact OD1-OG1 2.84Å; T74-L76 PolarHBondContact O-N 2.86Å; T74-L76 VanDerWaalsContact O-N 3.13Å; T74-H77 WeakPolarHBondContact O-CB 3.4Å; T74-H77 PolarHBondContact O-CD2 2.82Å; T74-H77 VanDerWaalsContact O-CG 3.26Å; T74-H77 PolarHBondContact O-N 2.75Å; T74-H77 VanDerWaalsContact O-N 3.16Å
75P87.5Confident89.5Confident87 Ų8748.2 Ų48.257%0.56530%0.297SS*.G310 helixtrans-65.2-16.6176.9-21.734.5000114.6V73 N79V73-P75 VanDerWaalsContact C-N 3.3Å; P75-N79 PolarHBondContact O-ND2 3.27Å
76L89.9Confident89.5Confident24 Ų2447.1 Ų47.113%0.12630%0.301CS..G310 helixtrans-85.9-12.3179.2-60179.5000112.8L62 V69 V73 T74 D78 N79 V80 L111 L116L62-L76 HydrophobicContact CD2-CB 3.82Å; L62-L76 HydrophobicContact CD2-CD1 4.19Å; V69-L76 HydrophobicContact CG1-CD1 3.8Å; V69-L76 HydrophobicContact CG2-CD1 4.12Å; V73-L76 HydrophobicContact CB-CD1 4.43Å; V73-L76 WeakPolarHBondContact O-CA 3.48Å; V73-L76 VanDerWaalsContact O-CB 3.29Å; V73-L76 WeakPolarHBondContact O-CB 3.38Å; V73-L76 PolarHBondContact O-N 3.49Å; T74-L76 PolarHBondContact O-N 2.86Å; T74-L76 VanDerWaalsContact O-N 3.13Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.25Å; L76-N79 WeakPolarHBondContact O-CB 3.49Å; L76-N79 PolarHBondContact O-N 2.82Å; L76-N79 VanDerWaalsContact O-N 3.08Å; L76-V80 PolarHBondContact O-N 3.44Å; L76-L111 HydrophobicContact CD2-CD2 3.23Å; L76-L116 HydrophobicContact CD1-CD1 4.4Å
77H91.1Very high89.3Confident26 Ų2651.4 Ų51.412%0.1232%0.323CS..Hα-helixtrans-56.3-48.6-178.4-69.3-163.9000111.4I33 F58 N59 V73 T74 N79 V80 V81I33-H77 HydrophobicContact CD1-CB 4.42Å; F58-H77 AromaticContact CD1-CD2 3.9Å; F58-H77 AromaticContact CD1-NE2 3.71Å; F58-H77 HydrophobicContact CE1-CB 4.42Å; F58-H77 AromaticContact CE1-CD2 3.4Å; F58-H77 VanDerWaalsContact CE1-CD2 3.4Å; F58-H77 WeakPolarHBondContact CE1-CD2 3.47Å; F58-H77 AromaticContact CE1-CG 3.87Å; F58-H77 AromaticContact CE1-NE2 3.72Å; N59-H77 PolarHBondContact OD1-CE1 2.96Å; N59-H77 PolarHBondContact OD1-NE2 2.87Å; V73-H77 PolarHBondContact O-CD2 2.9Å; V73-H77 VanDerWaalsContact O-CD2 3.27Å; T74-H77 WeakPolarHBondContact O-CB 3.4Å; T74-H77 PolarHBondContact O-CD2 2.82Å; T74-H77 VanDerWaalsContact O-CG 3.26Å; T74-H77 PolarHBondContact O-N 2.75Å; T74-H77 VanDerWaalsContact O-N 3.16Å; H77-N79 VanDerWaalsContact C-N 3.31Å; H77-N79 PolarHBondContact O-N 2.85Å; H77-V80 PolarHBondContact O-N 2.89Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 2.85Å
78D89.7Confident89.3Confident81 Ų8149.4 Ų49.443%0.43330%0.3SS..Hα-helixtrans-60.5-40176.9-78.1-41.5000112.2Y12 L76 V80 V81 L82Y12-D78 PolarHBondContact OH-OD1 3.16Å; Y12-D78 VanDerWaalsContact OH-OD1 3.04Å; L76-D78 VanDerWaalsContact C-N 3.34Å; L76-D78 PolarHBondContact O-N 3.25Å; D78-V80 VanDerWaalsContact C-N 3.34Å; D78-V80 PolarHBondContact O-N 2.98Å; D78-V81 PolarHBondContact O-N 2.85Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.26Å; D78-L82 PolarHBondContact O-N 2.81Å
79N91.2Very high89.3Confident46 Ų4649.8 Ų49.825%0.24631%0.312CS..Hα-helixtrans-65.2-39.2179-66.3-64.4000111.7P75 L76 H77 L82 M83 L116P75-N79 PolarHBondContact O-ND2 3.27Å; L76-N79 WeakPolarHBondContact O-CB 3.49Å; L76-N79 PolarHBondContact O-N 2.82Å; L76-N79 VanDerWaalsContact O-N 3.08Å; H77-N79 VanDerWaalsContact C-N 3.31Å; H77-N79 PolarHBondContact O-N 2.85Å; N79-L82 PolarHBondContact O-N 2.64Å; N79-M83 VanDerWaalsContact O-CB 3.28Å; N79-M83 WeakPolarHBondContact O-CB 3.39Å; N79-M83 PolarHBondContact O-N 3.07Å; N79-L116 HydrophobicContact CB-CD2 3.78Å
80V92.9Very high89.4Confident0 Ų050.1 Ų50.10%032%0.316CS..Hα-helixtrans-64.6-42.9173.9175.90000110.8F40 F58 L62 L76 H77 D78 M83 V84 L116 W118F40-V80 HydrophobicContact CZ-CG1 4.07Å; F58-V80 HydrophobicContact CE2-CG1 3.95Å; F58-V80 HydrophobicContact CZ-CB 3.87Å; F58-V80 HydrophobicContact CZ-CG1 3.75Å; F58-V80 HydrophobicContact CZ-CG2 4.09Å; L62-V80 HydrophobicContact CD1-CG2 3.75Å; L62-V80 HydrophobicContact CD2-CG2 4.41Å; L76-V80 PolarHBondContact O-N 3.44Å; H77-V80 PolarHBondContact O-N 2.89Å; D78-V80 VanDerWaalsContact C-N 3.34Å; D78-V80 PolarHBondContact O-N 2.98Å; V80-M83 HydrophobicContact CB-CE 4.31Å; V80-M83 HydrophobicContact CG1-CE 4.33Å; V80-M83 HydrophobicContact CG2-CE 4.12Å; V80-M83 WeakPolarHBondContact O-CB 3.43Å; V80-M83 PolarHBondContact O-N 3.19Å; V80-V84 HydrophobicContact CG1-CG2 4.33Å; V80-V84 VanDerWaalsContact O-CG2 3.31Å; V80-V84 WeakPolarHBondContact O-CG2 3.29Å; V80-V84 PolarHBondContact O-N 3.19Å; V80-L116 HydrophobicContact CG2-CD2 4.48Å; V80-W118 HydrophobicContact CG1-CB 4.43Å; V80-W118 HydrophobicContact CG1-CD2 3.57Å; V80-W118 HydrophobicContact CG1-CE3 3.97Å; V80-W118 HydrophobicContact CG1-CG 3.78Å; V80-W118 HydrophobicContact CG1-CZ2 4.3Å; V80-W118 HydrophobicContact CG1-CZ3 4.47Å; V80-W118 HydrophobicContact CG2-CE3 4.31Å
81V92.9Very high89.8Confident1 Ų144.7 Ų44.71%0.00628%0.283CS..Hα-helixtrans-60.9-46.9176.3170.90000111.4Y12 A31 I33 F40 H77 D78 M83 V84 L85Y12-V81 HydrophobicContact CD1-CG1 3.42Å; Y12-V81 VanDerWaalsContact CD1-CG1 3.42Å; Y12-V81 HydrophobicContact CD2-CG1 4.04Å; Y12-V81 HydrophobicContact CE1-CG1 3.63Å; Y12-V81 HydrophobicContact CE2-CG1 4.2Å; Y12-V81 HydrophobicContact CG-CG1 3.64Å; A31-V81 HydrophobicContact CB-CG1 3.76Å; A31-V81 HydrophobicContact CB-CG2 4.38Å; I33-V81 HydrophobicContact CD1-CG2 3.86Å; I33-V81 HydrophobicContact CG1-CG2 4.42Å; F40-V81 HydrophobicContact CE1-CG2 4.22Å; H77-V81 WeakPolarHBondContact O-CG2 3.48Å; H77-V81 PolarHBondContact O-N 2.85Å; D78-V81 PolarHBondContact O-N 2.85Å; V81-M83 VanDerWaalsContact C-N 3.31Å; V81-M83 PolarHBondContact O-N 3.01Å; V81-V84 PolarHBondContact O-N 3.2Å; V81-L85 HydrophobicContact CG1-CD1 3.8Å; V81-L85 HydrophobicContact CG1-CG 4.34Å; V81-L85 WeakPolarHBondContact O-CB 3.28Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.49Å; V81-L85 PolarHBondContact O-N 3.32Å
82L92.1Very high90.2Very high38 Ų3845.7 Ų45.720%0.19928%0.277CS..Hα-helixtrans-61.1-40.6177.4-69.1173.8000112.1L7 Y12 D78 N79 L85 G86 L87L7-L82 HydrophobicContact CD1-CD2 4.23Å; Y12-L82 HydrophobicContact CE1-CD2 4.3Å; D78-L82 VanDerWaalsContact O-CG 3.27Å; D78-L82 WeakPolarHBondContact O-CG 3.26Å; D78-L82 PolarHBondContact O-N 2.81Å; N79-L82 PolarHBondContact O-N 2.64Å; L82-L85 PolarHBondContact O-N 2.87Å; L82-G86 PolarHBondContact O-N 2.93Å; L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.82Å; L82-L87 PolarHBondContact O-N 2.94Å
83M92.9Very high90.5Very high0 Ų042.8 Ų42.80%026%0.258CS..Hα-helixtrans-62-47.5174.9168.8170.344.800112N79 V80 V81 L85 G86 Y93 C107 C109 L116 W118N79-M83 VanDerWaalsContact O-CB 3.28Å; N79-M83 WeakPolarHBondContact O-CB 3.39Å; N79-M83 PolarHBondContact O-N 3.07Å; V80-M83 HydrophobicContact CB-CE 4.31Å; V80-M83 HydrophobicContact CG1-CE 4.33Å; V80-M83 HydrophobicContact CG2-CE 4.12Å; V80-M83 WeakPolarHBondContact O-CB 3.43Å; V80-M83 PolarHBondContact O-N 3.19Å; V81-M83 VanDerWaalsContact C-N 3.31Å; V81-M83 PolarHBondContact O-N 3.01Å; M83-L85 VanDerWaalsContact C-N 3.33Å; M83-L85 PolarHBondContact O-N 3.31Å; M83-G86 PolarHBondContact O-N 3.23Å; M83-Y93 WeakPolarHBondContact O-CE1 3.45Å; M83-Y93 PolarHBondContact O-OH 3.25Å; M83-C107 HydrophobicContact CG-CB 3.44Å; M83-C107 VanDerWaalsContact CG-CB 3.44Å; M83-C107 HydrophobicContact SD-CB 3.28Å; M83-C107 WeakPolarHBondContact SD-CB 3.07Å; M83-C109 VanDerWaalsContact CB-SG 3.51Å; M83-C109 WeakPolarHBondContact CG-SG 3.25Å; M83-C109 HydrophobicContact SD-CB 4.44Å; M83-C109 PolarHBondContact SD-SG 2.8Å; M83-L116 HydrophobicContact CE-CD2 4.16Å; M83-L116 HydrophobicContact CE-CG 4.23Å; M83-W118 HydrophobicContact CE-CB 3.19Å; M83-W118 HydrophobicContact CE-CG 4.09Å; M83-W118 HydrophobicContact SD-CB 3.93Å
84V93.7Very high90.6Very high0 Ų045 Ų450%027%0.273CS..Hα-helixtrans-66-36.8179.7172.30000111.5Y20 F40 F42 V80 V81 G86 I120Y20-V84 VanDerWaalsContact CE1-O 3.32Å; Y20-V84 WeakPolarHBondContact CE1-O 3.49Å; Y20-V84 PolarHBondContact OH-O 3.22Å; F40-V84 HydrophobicContact CD1-CB 4.2Å; F40-V84 HydrophobicContact CD1-CG1 3.71Å; F40-V84 HydrophobicContact CD1-CG2 4.27Å; F40-V84 HydrophobicContact CE1-CB 4.1Å; F40-V84 HydrophobicContact CE1-CG1 4.14Å; F40-V84 HydrophobicContact CE1-CG2 3.98Å; F40-V84 HydrophobicContact CG-CG1 4.28Å; F40-V84 HydrophobicContact CZ-CG2 4.23Å; F42-V84 HydrophobicContact CE1-CG1 3.7Å; F42-V84 HydrophobicContact CZ-CG1 3.62Å; V80-V84 HydrophobicContact CG1-CG2 4.33Å; V80-V84 VanDerWaalsContact O-CG2 3.31Å; V80-V84 WeakPolarHBondContact O-CG2 3.29Å; V80-V84 PolarHBondContact O-N 3.19Å; V81-V84 PolarHBondContact O-N 3.2Å; V84-G86 PolarHBondContact O-N 2.85Å; V84-I120 HydrophobicContact CG1-CD1 4.13Å; V84-I120 HydrophobicContact CG2-CD1 4.15Å; V84-I120 HydrophobicContact CG2-CG1 4.2Å
85L93.8Very high90.4Very high3 Ų345.2 Ų45.22%0.01628%0.278CS..THydrogen-bonded Turntrans-79.61.3179.1-66179.3000114.1Y12 K16 V18 A29 A31 V81 L82 M83 L87Y12-L85 HydrophobicContact CD1-CD1 3.8Å; K16-L85 HydrophobicContact CB-CD2 4.46Å; K16-L85 HydrophobicContact CG-CD2 4.43Å; V18-L85 WeakPolarHBondContact CG1-O 3.3Å; A29-L85 HydrophobicContact CB-CD2 4.06Å; A31-L85 HydrophobicContact CB-CD1 4.27Å; A31-L85 HydrophobicContact CB-CD2 4.13Å; A31-L85 HydrophobicContact CB-CG 4.2Å; V81-L85 HydrophobicContact CG1-CD1 3.8Å; V81-L85 HydrophobicContact CG1-CG 4.34Å; V81-L85 WeakPolarHBondContact O-CB 3.28Å; V81-L85 VanDerWaalsContact O-CG 3.3Å; V81-L85 WeakPolarHBondContact O-CG 3.49Å; V81-L85 PolarHBondContact O-N 3.32Å; L82-L85 PolarHBondContact O-N 2.87Å; M83-L85 VanDerWaalsContact C-N 3.33Å; M83-L85 PolarHBondContact O-N 3.31Å; L85-L87 HydrophobicContact CB-CD1 3.84Å; L85-L87 HydrophobicContact CB-CG 3.85Å; L85-L87 HydrophobicContact CD1-CD1 4.04Å; L85-L87 PolarHBondContact O-N 3.06Å
86G91Very high90.4Very high38 Ų3843.7 Ų43.739%0.39227%0.267SS..THydrogen-bonded Turntrans66.822.2179.900000114L82 M83 V84 Y93L82-G86 PolarHBondContact O-N 2.93Å; M83-G86 PolarHBondContact O-N 3.23Å; V84-G86 PolarHBondContact O-N 2.85Å; G86-Y93 WeakPolarHBondContact CA-OH 3.46Å
87L89.1Confident90.4Very high96 Ų9648.9 Ų48.950%0.50329%0.288SS..  trans-88.8-18.7-175-64.5174.5000112.8L82 L85L82-L87 HydrophobicContact CD2-CB 4.02Å; L82-L87 HydrophobicContact CD2-CD1 3.82Å; L82-L87 PolarHBondContact O-N 2.94Å; L85-L87 HydrophobicContact CB-CD1 3.84Å; L85-L87 HydrophobicContact CB-CG 3.85Å; L85-L87 HydrophobicContact CD1-CD1 4.04Å; L85-L87 PolarHBondContact O-N 3.06Å
88D86.2Confident90.5Very high50 Ų5050.7 Ų50.727%0.26730%0.298SS..  trans-98.1110.8174.7179.3-0.6000110.5S90 C91D88-S90 PolarHBondContact O-N 3.18Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 2.68Å; D88-S90 PolarHBondContact OD1-OG 3.33Å; D88-S90 PolarHBondContact OD2-OG 3.47Å; D88-C91 WeakPolarHBondContact CB-SG 3.23Å; D88-C91 VanDerWaalsContact O-CB 3.25Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 2.87Å; D88-C91 VanDerWaalsContact O-N 3.14Å; D88-C91 PolarHBondContact O-SG 3.15Å; D88-C91 VanDerWaalsContact O-SG 3.34Å
89S84.7Confident90.5Very high128 Ų12850.6 Ų50.690%0.89530%0.301SS*.THydrogen-bonded Turntrans-66.2-14.3178.959.90000114.6C91S89-C91 PolarHBondContact O-N 3.17Å
90S86.8Confident90.4Very high48 Ų4854.6 Ų54.634%0.33632%0.318SS..THydrogen-bonded Turntrans-78-10.1174.879.60000112.8D88D88-S90 PolarHBondContact O-N 3.18Å; D88-S90 VanDerWaalsContact OD1-CB 3.24Å; D88-S90 WeakPolarHBondContact OD1-CB 3.44Å; D88-S90 PolarHBondContact OD1-N 2.68Å; D88-S90 PolarHBondContact OD1-OG 3.33Å; D88-S90 PolarHBondContact OD2-OG 3.47Å
91C91.7Very high90.4Very high15 Ų1561.7 Ų61.710%0.10135%0.351CS..  trans-78.1139.8-178-60.50000112.4D88 S89 Y93 K108 C109D88-C91 WeakPolarHBondContact CB-SG 3.23Å; D88-C91 VanDerWaalsContact O-CB 3.25Å; D88-C91 WeakPolarHBondContact O-CB 3.4Å; D88-C91 PolarHBondContact O-N 2.87Å; D88-C91 VanDerWaalsContact O-N 3.14Å; D88-C91 PolarHBondContact O-SG 3.15Å; D88-C91 VanDerWaalsContact O-SG 3.34Å; S89-C91 PolarHBondContact O-N 3.17Å; C91-Y93 HydrophobicContact CB-CE2 3.96Å; C91-K108 CarbonylContact C-O 3.58Å; C91-K108 WeakPolarHBondContact CA-O 3.48Å; C91-C109 VanDerWaalsContact CA-SG 3.6Å; C91-C109 HydrophobicContact CB-CB 4.11Å; C91-C109 WeakPolarHBondContact CB-SG 3.43Å; C91-C109 WeakPolarHBondContact SG-CB 3.36Å; C91-C109 CovalentContact SG-SG 2.01Å; C91-C109 PolarHBondContact SG-SG 3.28Å
92T93Very high90.5Very high83 Ų8364.9 Ų64.951%0.50937%0.367SS..EExtended strand (participates in β ladder)trans-116.6145.117255.30000109K108T92-K108 PolarHBondContact N-O 3.39Å; T92-K108 PolarHBondContact O-N 3.15Å; T92-K108 PolarHBondContact OG1-O 2.73Å; T92-K108 VanDerWaalsContact OG1-O 3.09Å
93Y93.6Very high90.6Very high58 Ų5863.1 Ų63.123%0.22736%0.357CS..EExtended strand (participates in β ladder)trans-124.5133.9-175.9-56-91.2000109.1Y20 M83 G86 C91 V105 E106 C107Y20-Y93 AromaticContact CD1-CD1 3.67Å; Y20-Y93 HydrophobicContact CD1-CD1 3.67Å; Y20-Y93 HydrophobicContact CD1-CD2 4.11Å; Y20-Y93 AromaticContact CD1-CE1 3.37Å; Y20-Y93 HydrophobicContact CD1-CE1 3.37Å; Y20-Y93 AromaticContact CD1-CE2 3.85Å; Y20-Y93 HydrophobicContact CD1-CE2 3.85Å; Y20-Y93 HydrophobicContact CD1-CG 4.03Å; Y20-Y93 AromaticContact CD1-CZ 3.48Å; Y20-Y93 VanDerWaalsContact CD1-CZ 3.48Å; Y20-Y93 HydrophobicContact CD2-CD1 4.06Å; Y20-Y93 HydrophobicContact CD2-CE1 4.47Å; Y20-Y93 HydrophobicContact CD2-CG 4.41Å; Y20-Y93 HydrophobicContact CE1-CD1 4.26Å; Y20-Y93 AromaticContact CE1-CE1 3.72Å; Y20-Y93 HydrophobicContact CE1-CE1 3.72Å; Y20-Y93 AromaticContact CG-CD1 3.56Å; Y20-Y93 HydrophobicContact CG-CD1 3.56Å; Y20-Y93 HydrophobicContact CG-CD2 4.04Å; Y20-Y93 AromaticContact CG-CE1 3.81Å; Y20-Y93 HydrophobicContact CG-CE1 3.81Å; Y20-Y93 HydrophobicContact CG-CE2 4.26Å; Y20-Y93 AromaticContact CG-CG 3.69Å; Y20-Y93 HydrophobicContact CG-CG 3.69Å; M83-Y93 WeakPolarHBondContact O-CE1 3.45Å; M83-Y93 PolarHBondContact O-OH 3.25Å; G86-Y93 WeakPolarHBondContact CA-OH 3.46Å; C91-Y93 HydrophobicContact CB-CE2 3.96Å; Y93-V105 HydrophobicContact CD1-CG1 4.15Å; Y93-E106 CarbonylContact C-O 3.5Å; Y93-E106 WeakPolarHBondContact CA-O 3.24Å; Y93-C107 HydrophobicContact CD1-CB 4.1Å; Y93-C107 VanDerWaalsContact CD1-SG 3.6Å; Y93-C107 HydrophobicContact CE1-CB 4.1Å
94S90.8Very high90.8Very high51 Ų5164.5 Ų64.536%0.35736%0.364SS..EExtended strand (participates in β ladder)trans-144.5173.9-176.163.80000110.9V96 E106S94-V96 PolarHBondContact O-N 2.86Å; S94-V96 VanDerWaalsContact O-N 3.1Å; S94-E106 PolarHBondContact N-O 3.36Å; S94-E106 PolarHBondContact O-N 2.67Å
95S84.3Confident90.8Very high76 Ų7664.5 Ų64.553%0.53136%0.364SS..EExtended strand (participates in β ladder)trans5532.7175.6-56.40000114.6K97 E106S95-K97 PolarHBondContact O-N 3.35Å; S95-K97 VanDerWaalsContact O-N 3.16Å; S95-E106 PolarHBondContact OG-OE2 3.42Å
96V86.8Confident90.9Very high56 Ų5667.8 Ų67.834%0.33938%0.379SS..EExtended strand (participates in β ladder)trans-68.3111.7-177.8-179.40000110V21 S94 E104 V105V21-V96 HydrophobicContact CG1-CG1 4.12Å; V21-V96 HydrophobicContact CG2-CG1 4.37Å; S94-V96 PolarHBondContact O-N 2.86Å; S94-V96 VanDerWaalsContact O-N 3.1Å; V96-E104 CarbonylContact C-O 3.53Å; V96-E104 WeakPolarHBondContact CA-O 3.15Å; V96-V105 HydrophobicContact CG1-CG2 4.23Å; V96-V105 HydrophobicContact CG2-CG1 4.06Å; V96-V105 HydrophobicContact CG2-CG2 4.19Å
97K90.9Very high91.1Very high132 Ų13266 Ų6657%0.57436%0.36SS*.EExtended strand (participates in β ladder)trans-119.4126.5169.8-64.2178.5-173.6168.20108.8S95 L103 E104S95-K97 PolarHBondContact O-N 3.35Å; S95-K97 VanDerWaalsContact O-N 3.16Å; K97-L103 WeakPolarHBondContact O-CA 3.48Å; K97-E104 HydrophobicContact CB-CB 4.31Å; K97-E104 PolarHBondContact N-O 2.66Å; K97-E104 IonicContact NZ-OE2 3.81Å; K97-E104 PolarHBondContact O-N 3.04Å
98I91.7Very high91.3Very high64 Ų6465.9 Ų65.933%0.32836%0.356SS..EExtended strand (participates in β ladder)trans-129.9121.2178.1-174.9168000108.8V21 F27 W49 L103V21-I98 HydrophobicContact CG1-CD1 4.14Å; F27-I98 HydrophobicContact CE2-CD1 3.77Å; F27-I98 HydrophobicContact CZ-CD1 4.37Å; W49-I98 HydrophobicContact CH2-CD1 3.72Å; W49-I98 HydrophobicContact CH2-CG1 4.1Å; W49-I98 HydrophobicContact CZ2-CD1 4.13Å; W49-I98 HydrophobicContact CZ2-CG1 3.97Å; W49-I98 HydrophobicContact CZ3-CD1 4.26Å; I98-L103 HydrophobicContact CB-CD1 4.17Å; I98-L103 HydrophobicContact CD1-CD1 4.37Å; I98-L103 HydrophobicContact CG1-CD1 4.27Å
99T91.5Very high91.7Very high80 Ų8063.7 Ų63.749%0.49135%0.345SS..  trans-127.6169.4169.666.30000108.2W49 E101 M102W49-T99 VanDerWaalsContact CZ2-O 3.32Å; W49-T99 WeakPolarHBondContact CZ2-O 3.34Å; W49-T99 PolarHBondContact NE1-O 3.47Å; W49-T99 VanDerWaalsContact NE1-O 3.08Å; T99-E101 PolarHBondContact O-N 2.74Å; T99-M102 PolarHBondContact N-O 2.78Å; T99-M102 PolarHBondContact O-N 3.12Å; T99-M102 PolarHBondContact OG1-N 2.8Å; T99-M102 VanDerWaalsContact OG1-N 3.07Å; T99-M102 PolarHBondContact OG1-O 3.35Å
100E88.6Confident91.9Very high130 Ų13062.7 Ų62.761%0.60733%0.329SS*.SBendtrans-58.4-33.6175.8-63.2-177.917700111.5W49 Q124W49-E100 PolarHBondContact NE1-O 3.5Å; E100-Q124 WeakPolarHBondContact O-CB 3.47Å; E100-Q124 VanDerWaalsContact O-CD 3.3Å; E100-Q124 PolarHBondContact O-OE1 3.14Å
101E92.8Very high91.9Very high149 Ų14962.9 Ų62.970%0.69633%0.326SS*.SBendtrans-89.2-26.9-175.1-61.9178.6-179.700114.1T99 K123 Q124T99-E101 PolarHBondContact O-N 2.74Å; E101-K123 CarbonylContact O-C 3.58Å; E101-K123 WeakPolarHBondContact O-CA 3.43Å; E101-Q124 PolarHBondContact O-N 3.02Å
102M94.9Very high91.6Very high68 Ų6868.1 Ų68.134%0.33536%0.362SS..EExtended strand (participates in β ladder)trans-148.6144.9-168.4-166.7-176.9-165.900113.2T99 E104 T121 A122T99-M102 PolarHBondContact N-O 2.78Å; T99-M102 PolarHBondContact O-N 3.12Å; T99-M102 PolarHBondContact OG1-N 2.8Å; T99-M102 VanDerWaalsContact OG1-N 3.07Å; T99-M102 PolarHBondContact OG1-O 3.35Å; M102-E104 HydrophobicContact CE-CG 3.5Å; M102-E104 WeakPolarHBondContact CE-OE1 3.46Å; M102-E104 HydrophobicContact CG-CG 4.23Å; M102-E104 HydrophobicContact SD-CG 3.89Å; M102-T121 HydrophobicContact CE-CG2 4.43Å; M102-A122 WeakPolarHBondContact CA-O 3.28Å; M102-A122 WeakPolarHBondContact CG-O 3.22Å
103L94.6Very high91.1Very high0 Ų067.1 Ų67.10%037%0.369CS..EExtended strand (participates in β ladder)trans-123.9121.4169.6174.872000109.6F27 F42 W49 K97 I98 V105 I120 A122F27-L103 HydrophobicContact CE1-CD2 4.12Å; F27-L103 HydrophobicContact CZ-CD1 4.22Å; F27-L103 HydrophobicContact CZ-CD2 3.85Å; F42-L103 HydrophobicContact CB-CD2 3.59Å; F42-L103 HydrophobicContact CD1-CD2 3.95Å; F42-L103 HydrophobicContact CD2-CD2 3.68Å; F42-L103 HydrophobicContact CE2-CD2 4.34Å; F42-L103 HydrophobicContact CG-CD2 3.44Å; F42-L103 VanDerWaalsContact CG-CD2 3.44Å; W49-L103 HydrophobicContact CB-CB 4.25Å; W49-L103 HydrophobicContact CD2-CB 4.34Å; W49-L103 HydrophobicContact CG-CB 3.99Å; K97-L103 WeakPolarHBondContact O-CA 3.48Å; I98-L103 HydrophobicContact CB-CD1 4.17Å; I98-L103 HydrophobicContact CD1-CD1 4.37Å; I98-L103 HydrophobicContact CG1-CD1 4.27Å; L103-V105 HydrophobicContact CD1-CG2 4.04Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; L103-I120 HydrophobicContact CD2-CG2 4.48Å; L103-A122 HydrophobicContact CB-CB 4.25Å; L103-A122 HydrophobicContact CD2-CB 4.49Å; L103-A122 PolarHBondContact N-O 3.32Å; L103-A122 PolarHBondContact O-N 3.21Å
104E95.4Very high90.8Very high29 Ų2969.7 Ų69.714%0.13639%0.386CS..EExtended strand (participates in β ladder)trans-120.1130.5170.1-59.6-166.3119.200110.6V96 K97 M102 K119 I120 T121V96-E104 CarbonylContact C-O 3.53Å; V96-E104 WeakPolarHBondContact CA-O 3.15Å; K97-E104 HydrophobicContact CB-CB 4.31Å; K97-E104 PolarHBondContact N-O 2.66Å; K97-E104 IonicContact NZ-OE2 3.81Å; K97-E104 PolarHBondContact O-N 3.04Å; M102-E104 HydrophobicContact CE-CG 3.5Å; M102-E104 WeakPolarHBondContact CE-OE1 3.46Å; M102-E104 HydrophobicContact CG-CG 4.23Å; M102-E104 HydrophobicContact SD-CG 3.89Å; E104-K119 WeakPolarHBondContact OE1-CE 3.44Å; E104-K119 IonicContact OE1-NZ 3.95Å; E104-K119 PolarHBondContact OE1-NZ 2.99Å; E104-K119 IonicContact OE2-NZ 3.45Å; E104-I120 VanDerWaalsContact CA-O 3.29Å; E104-I120 WeakPolarHBondContact CA-O 3.47Å; E104-T121 HydrophobicContact CG-CG2 4.39Å
105V95.4Very high90.8Very high0 Ų069.6 Ų69.60%038%0.384CS..EExtended strand (participates in β ladder)trans-142.9133.9174-179.30000108.5Y20 V21 Y93 V96 L103 K119 I120Y20-V105 HydrophobicContact CD2-CG1 4.14Å; Y20-V105 HydrophobicContact CE2-CG1 4.39Å; Y20-V105 HydrophobicContact CE2-CG2 4.42Å; V21-V105 HydrophobicContact CG2-CG2 4.41Å; Y93-V105 HydrophobicContact CD1-CG1 4.15Å; V96-V105 HydrophobicContact CG1-CG2 4.23Å; V96-V105 HydrophobicContact CG2-CG1 4.06Å; V96-V105 HydrophobicContact CG2-CG2 4.19Å; L103-V105 HydrophobicContact CD1-CG2 4.04Å; L103-V105 HydrophobicContact CG-CG2 4.36Å; V105-K119 CarbonylContact O-C 3.32Å; V105-K119 WeakPolarHBondContact O-CA 3.41Å; V105-I120 HydrophobicContact CB-CB 4.21Å; V105-I120 HydrophobicContact CB-CD1 4.13Å; V105-I120 PolarHBondContact N-O 3.46Å; V105-I120 PolarHBondContact O-N 3.49Å
106E95.3Very high91.2Very high72 Ų7266.3 Ų66.334%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-99.1116.9172.9-174.1178.8171.100109.4Y93 S94 S95Y93-E106 CarbonylContact C-O 3.5Å; Y93-E106 WeakPolarHBondContact CA-O 3.24Å; S94-E106 PolarHBondContact N-O 3.36Å; S94-E106 PolarHBondContact O-N 2.67Å; S95-E106 PolarHBondContact OG-OE2 3.42Å
107C94.7Very high91.6Very high0 Ų065.9 Ų65.90%036%0.356CS..EExtended strand (participates in β ladder)trans-104.7134.6-179.3-49.70000109.5M83 Y93 L117 W118M83-C107 HydrophobicContact CG-CB 3.44Å; M83-C107 VanDerWaalsContact CG-CB 3.44Å; M83-C107 HydrophobicContact SD-CB 3.28Å; M83-C107 WeakPolarHBondContact SD-CB 3.07Å; Y93-C107 HydrophobicContact CD1-CB 4.1Å; Y93-C107 VanDerWaalsContact CD1-SG 3.6Å; Y93-C107 HydrophobicContact CE1-CB 4.1Å; C107-L117 WeakPolarHBondContact O-CA 3.5Å; C107-W118 WeakPolarHBondContact CA-O 3.11Å; C107-W118 HydrophobicContact CB-CB 4.42Å; C107-W118 WeakPolarHBondContact CB-O 3.24Å; C107-W118 PolarHBondContact N-O 2.01Å; C107-W118 PolarHBondContact O-N 3.34Å
108K94.6Very high91.8Very high95 Ų9559.6 Ų59.641%0.41333%0.329SS..EExtended strand (participates in β ladder)trans-137.6118.3179.5178.3178.9-176.9179.60110.4C91 T92 L116 L117C91-K108 CarbonylContact C-O 3.58Å; C91-K108 WeakPolarHBondContact CA-O 3.48Å; T92-K108 PolarHBondContact N-O 3.39Å; T92-K108 PolarHBondContact O-N 3.15Å; T92-K108 PolarHBondContact OG1-O 2.73Å; T92-K108 VanDerWaalsContact OG1-O 3.09Å; K108-L116 CarbonylContact C-O 3.6Å; K108-L116 WeakPolarHBondContact CA-O 3.11Å; K108-L117 HydrophobicContact CB-CD2 3.65Å; K108-L117 HydrophobicContact CD-CD2 3.83Å; K108-L117 HydrophobicContact CG-CD2 3.56Å
109C93Very high92Very high4 Ų460.2 Ų60.23%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-122165.4176.5-43.20000111.2M83 C91 P115 L116M83-C109 VanDerWaalsContact CB-SG 3.51Å; M83-C109 WeakPolarHBondContact CG-SG 3.25Å; M83-C109 HydrophobicContact SD-CB 4.44Å; M83-C109 PolarHBondContact SD-SG 2.8Å; C91-C109 VanDerWaalsContact CA-SG 3.6Å; C91-C109 HydrophobicContact CB-CB 4.11Å; C91-C109 WeakPolarHBondContact CB-SG 3.43Å; C91-C109 WeakPolarHBondContact SG-CB 3.36Å; C91-C109 CovalentContact SG-SG 2.01Å; C91-C109 PolarHBondContact SG-SG 3.28Å; C109-P115 WeakPolarHBondContact O-CA 3.26Å; C109-L116 PolarHBondContact N-O 2.91Å; C109-L116 PolarHBondContact O-N 3.35Å
110L89.7Confident92.2Very high106 Ų10656.4 Ų56.456%0.55531%0.306SS*.EExtended strand (participates in β ladder)trans-106.3103.6175.8-72.6170.9000109.9L114L110-L114 CarbonylContact C-O 3.46Å
111L86.5Confident92.5Very high53 Ų5352.2 Ų52.228%0.27729%0.289SS..EExtended strand (participates in β ladder)trans-95.1108.2174.8-174.467.1000109.8L76 G113 L114 L116L76-L111 HydrophobicContact CD2-CD2 3.23Å; L111-G113 PolarHBondContact O-N 3.26Å; L111-G113 VanDerWaalsContact O-N 3.12Å; L111-L114 PolarHBondContact N-O 2.96Å; L111-L114 WeakPolarHBondContact O-CB 3.02Å; L111-L114 PolarHBondContact O-N 3.47Å; L111-L116 HydrophobicContact CB-CB 4.4Å
112S84.9Confident92.7Very high124 Ų12445.1 Ų45.187%0.86726%0.256SS*.THydrogen-bonded Turntrans52.834.7-179.6-58.80000113.7L114S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 3.48Å
113G84Confident92.8Very high63 Ų6349.2 Ų49.265%0.64927%0.272SS*.THydrogen-bonded Turntrans85.2-7.3-177.400000115.1L111L111-G113 PolarHBondContact O-N 3.26Å; L111-G113 VanDerWaalsContact O-N 3.12Å
114L86.8Confident92.8Very high111 Ų11153.8 Ų53.858%0.58129%0.293SS*.EExtended strand (participates in β ladder)trans-93.6136.8173.8-65.5172000110.5L110 L111 S112 L116L110-L114 CarbonylContact C-O 3.46Å; L111-L114 PolarHBondContact N-O 2.96Å; L111-L114 WeakPolarHBondContact O-CB 3.02Å; L111-L114 PolarHBondContact O-N 3.47Å; S112-L114 VanDerWaalsContact C-N 3.31Å; S112-L114 PolarHBondContact O-N 3.48Å; L114-L116 PolarHBondContact O-N 3.29Å
115P89.9Confident92.8Very high49 Ų4952.9 Ų52.932%0.31829%0.291SS..EExtended strand (participates in β ladder)trans-69.7126174.528.9-32.7000110C109C109-P115 WeakPolarHBondContact O-CA 3.26Å
116L93.2Very high92.6Very high7 Ų755.2 Ų55.24%0.03731%0.307CS..EExtended strand (participates in β ladder)trans-105.3118.3168-178.166000108.2L62 L76 N79 V80 M83 K108 C109 L111 L114L62-L116 HydrophobicContact CD1-CD1 4.07Å; L76-L116 HydrophobicContact CD1-CD1 4.4Å; N79-L116 HydrophobicContact CB-CD2 3.78Å; V80-L116 HydrophobicContact CG2-CD2 4.48Å; M83-L116 HydrophobicContact CE-CD2 4.16Å; M83-L116 HydrophobicContact CE-CG 4.23Å; K108-L116 CarbonylContact C-O 3.6Å; K108-L116 WeakPolarHBondContact CA-O 3.11Å; C109-L116 PolarHBondContact N-O 2.91Å; C109-L116 PolarHBondContact O-N 3.35Å; L111-L116 HydrophobicContact CB-CB 4.4Å; L114-L116 PolarHBondContact O-N 3.29Å
117L94.6Very high92.3Very high47 Ų4755.1 Ų55.125%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-106.4137.2180-65.4170.9000110.3L65 N66 C107 K108L65-L117 HydrophobicContact CB-CB 4.4Å; N66-L117 PolarHBondContact ND2-O 3.31Å; N66-L117 PolarHBondContact OD1-N 3.42Å; C107-L117 WeakPolarHBondContact O-CA 3.5Å; K108-L117 HydrophobicContact CB-CD2 3.65Å; K108-L117 HydrophobicContact CD-CD2 3.83Å; K108-L117 HydrophobicContact CG-CD2 3.56Å
118W95.8Very high92Very high1 Ų157.9 Ų57.90%0.00433%0.326CS..EExtended strand (participates in β ladder)trans-141.9133170.1-176.4-105.5000110.2F40 L53 F58 K61 L62 L65 V80 M83 C107F40-W118 AromaticContact CE2-CZ2 3.84Å; F40-W118 HydrophobicContact CE2-CZ2 3.84Å; L53-W118 HydrophobicContact CD1-CH2 3.96Å; L53-W118 HydrophobicContact CD1-CZ2 3.83Å; F58-W118 AromaticContact CD2-CH2 3.4Å; F58-W118 HydrophobicContact CD2-CH2 3.4Å; F58-W118 VanDerWaalsContact CD2-CH2 3.4Å; F58-W118 AromaticContact CD2-CZ2 3.92Å; F58-W118 HydrophobicContact CD2-CZ2 3.92Å; F58-W118 HydrophobicContact CD2-CZ3 4.24Å; F58-W118 AromaticContact CE2-CH2 3.33Å; F58-W118 HydrophobicContact CE2-CH2 3.33Å; F58-W118 AromaticContact CE2-CZ2 3.64Å; F58-W118 HydrophobicContact CE2-CZ2 3.64Å; F58-W118 AromaticContact CE2-CZ3 3.95Å; F58-W118 HydrophobicContact CE2-CZ3 3.95Å; F58-W118 HydrophobicContact CG-CH2 4.2Å; F58-W118 HydrophobicContact CZ-CH2 4.09Å; F58-W118 HydrophobicContact CZ-CZ3 4.27Å; K61-W118 HydrophobicContact CB-CH2 4.31Å; K61-W118 HydrophobicContact CB-CZ3 4.28Å; K61-W118 HydrophobicContact CD-CH2 3.68Å; K61-W118 HydrophobicContact CD-CZ2 4.07Å; K61-W118 HydrophobicContact CD-CZ3 4.13Å; K61-W118 HydrophobicContact CG-CH2 4.01Å; K61-W118 HydrophobicContact CG-CZ3 3.96Å; L62-W118 HydrophobicContact CB-CZ3 4.13Å; L62-W118 HydrophobicContact CD1-CE3 3.95Å; L62-W118 HydrophobicContact CD1-CZ3 4.18Å; L65-W118 HydrophobicContact CD1-CE3 4.36Å; V80-W118 HydrophobicContact CG1-CB 4.43Å; V80-W118 HydrophobicContact CG1-CD2 3.57Å; V80-W118 HydrophobicContact CG1-CE3 3.97Å; V80-W118 HydrophobicContact CG1-CG 3.78Å; V80-W118 HydrophobicContact CG1-CZ2 4.3Å; V80-W118 HydrophobicContact CG1-CZ3 4.47Å; V80-W118 HydrophobicContact CG2-CE3 4.31Å; M83-W118 HydrophobicContact CE-CB 3.19Å; M83-W118 HydrophobicContact CE-CG 4.09Å; M83-W118 HydrophobicContact SD-CB 3.93Å; C107-W118 WeakPolarHBondContact CA-O 3.11Å; C107-W118 HydrophobicContact CB-CB 4.42Å; C107-W118 WeakPolarHBondContact CB-O 3.24Å; C107-W118 PolarHBondContact N-O 2.01Å; C107-W118 PolarHBondContact O-N 3.34Å
119K95.8Very high91.7Very high76 Ų7654.3 Ų54.333%0.3331%0.313SS..EExtended strand (participates in β ladder)trans-107114.1174.2-170.9-176.1173.3-166.90109.1K61 L65 E104 V105 T121K61-K119 WeakPolarHBondContact CE-O 3.32Å; K61-K119 PolarHBondContact NZ-O 2.95Å; L65-K119 HydrophobicContact CD1-CB 4.1Å; E104-K119 WeakPolarHBondContact OE1-CE 3.44Å; E104-K119 IonicContact OE1-NZ 3.95Å; E104-K119 PolarHBondContact OE1-NZ 2.99Å; E104-K119 IonicContact OE2-NZ 3.45Å; V105-K119 CarbonylContact O-C 3.32Å; V105-K119 WeakPolarHBondContact O-CA 3.41Å; K119-T121 HydrophobicContact CD-CG2 4.21Å; K119-T121 HydrophobicContact CG-CG2 4.27Å
120I95.9Very high91.5Very high0 Ų056.4 Ų56.40%032%0.322CS..EExtended strand (participates in β ladder)trans-71.1129.7169.6-61.3168.8000107.9F42 V84 L103 E104 V105 A122F42-I120 HydrophobicContact CD2-CG2 4.42Å; F42-I120 HydrophobicContact CE1-CD1 3.97Å; F42-I120 HydrophobicContact CE1-CG2 4.41Å; F42-I120 HydrophobicContact CE2-CG2 3.55Å; F42-I120 HydrophobicContact CZ-CD1 3.78Å; F42-I120 HydrophobicContact CZ-CG1 4.19Å; F42-I120 HydrophobicContact CZ-CG2 3.54Å; V84-I120 HydrophobicContact CG1-CD1 4.13Å; V84-I120 HydrophobicContact CG2-CD1 4.15Å; V84-I120 HydrophobicContact CG2-CG1 4.2Å; L103-I120 HydrophobicContact CD2-CG2 4.48Å; E104-I120 VanDerWaalsContact CA-O 3.29Å; E104-I120 WeakPolarHBondContact CA-O 3.47Å; V105-I120 HydrophobicContact CB-CB 4.21Å; V105-I120 HydrophobicContact CB-CD1 4.13Å; V105-I120 PolarHBondContact N-O 3.46Å; V105-I120 PolarHBondContact O-N 3.49Å; I120-A122 HydrophobicContact CG2-CB 4.35Å
121T95.3Very high91.3Very high43 Ų4352 Ų5226%0.26430%0.299SS..EExtended strand (participates in β ladder)trans-136.475.3175.4410000109.2E51 K61 M102 E104 K119E51-T121 PolarHBondContact OE1-N 2.88Å; E51-T121 PolarHBondContact OE1-OG1 3.23Å; E51-T121 PolarHBondContact OE2-N 3.46Å; K61-T121 PolarHBondContact NZ-OG1 3Å; M102-T121 HydrophobicContact CE-CG2 4.43Å; E104-T121 HydrophobicContact CG-CG2 4.39Å; K119-T121 HydrophobicContact CD-CG2 4.21Å; K119-T121 HydrophobicContact CG-CG2 4.27Å
122A96.5Very high91.4Very high0 Ų051.9 Ų51.90%030%0.3CS..EExtended strand (participates in β ladder)trans-94.5144.7-178.300000111.3F42 W49 E50 E51 M102 L103 I120F42-A122 HydrophobicContact CD2-CB 3.81Å; F42-A122 HydrophobicContact CE2-CB 3.97Å; W49-A122 HydrophobicContact CB-CB 3.81Å; E50-A122 WeakPolarHBondContact O-CA 3.46Å; E51-A122 HydrophobicContact CB-CB 3.99Å; M102-A122 WeakPolarHBondContact CA-O 3.28Å; M102-A122 WeakPolarHBondContact CG-O 3.22Å; L103-A122 HydrophobicContact CB-CB 4.25Å; L103-A122 HydrophobicContact CD2-CB 4.49Å; L103-A122 PolarHBondContact N-O 3.32Å; L103-A122 PolarHBondContact O-N 3.21Å; I120-A122 HydrophobicContact CG2-CB 4.35Å
123K96.3Very high91.5Very high153 Ų15348.7 Ų48.767%0.66527%0.271SS*.EExtended strand (participates in β ladder)trans-108.7158.5176.4-64.9-178.8-177.8176.80109.5W49 E50 E101 A125W49-K123 CarbonylContact C-O 3.53Å; W49-K123 WeakPolarHBondContact CA-O 3.47Å; E50-K123 PolarHBondContact N-O 3.38Å; E50-K123 PolarHBondContact O-N 3.08Å; E101-K123 CarbonylContact O-C 3.58Å; E101-K123 WeakPolarHBondContact O-CA 3.43Å; K123-A125 PolarHBondContact O-N 3.02Å
124Q96Very high91.6Very high97 Ų9746 Ų4645%0.45324%0.242SC..EExtended strand (participates in β ladder)trans-55.2126.3173.5-169.817417.500110.1E100 E101E100-Q124 WeakPolarHBondContact O-CB 3.47Å; E100-Q124 VanDerWaalsContact O-CD 3.3Å; E100-Q124 PolarHBondContact O-OE1 3.14Å; E101-Q124 PolarHBondContact O-N 3.02Å
125A94.2Very high91.5Very high10 Ų1043.2 Ų43.28%0.08323%0.227CC..PPolyproline II helixtrans-71.4159.4178.700000110.6L48 E50 K123 A129L48-A125 HydrophobicContact CB-CB 4.06Å; L48-A125 HydrophobicContact CD2-CB 3.62Å; L48-A125 HydrophobicContact CG-CB 3.6Å; L48-A125 WeakPolarHBondContact O-CB 3.37Å; L48-A125 PolarHBondContact O-N 3.03Å; E50-A125 HydrophobicContact CB-CB 4.35Å; E50-A125 HydrophobicContact CG-CB 3.84Å; K123-A125 PolarHBondContact O-N 3.02Å; A125-A129 HydrophobicContact CB-CB 4.08Å
126S91.2Very high91.3Very high48 Ų4844.7 Ų44.734%0.33623%0.226SC..PPolyproline II helixtrans-64.1154.4178.392.10000111.7E128 A129 F130S126-E128 WeakPolarHBondContact CB-OE2 3.42Å; S126-E128 PolarHBondContact O-N 2.97Å; S126-E128 PolarHBondContact OG-N 2.82Å; S126-E128 PolarHBondContact OG-OE2 2.87Å; S126-A129 PolarHBondContact O-N 3.45Å; S126-A129 PolarHBondContact OG-N 2.82Å; S126-F130 PolarHBondContact O-N 2.83Å
127P88.8Confident91Very high71 Ų7147.1 Ų47.146%0.46124%0.242SC..Hα-helixtrans-54.6-34.4173.8-2635.3000113F131P127-F131 WeakPolarHBondContact O-CB 3.49Å; P127-F131 PolarHBondContact O-N 3.39Å
128E88.3Confident90.5Very high58 Ų5848.2 Ų48.227%0.27125%0.248SC..Hα-helixtrans-65.5-46.2175.9-5872.7-156.700111.2S126 F131 V132 L225S126-E128 WeakPolarHBondContact CB-OE2 3.42Å; S126-E128 PolarHBondContact O-N 2.97Å; S126-E128 PolarHBondContact OG-N 2.82Å; S126-E128 PolarHBondContact OG-OE2 2.87Å; E128-F131 PolarHBondContact O-N 3.16Å; E128-V132 WeakPolarHBondContact O-CB 3.37Å; E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 2.72Å; E128-L225 HydrophobicContact CB-CD2 4.31Å; E128-L225 HydrophobicContact CG-CD2 3.99Å
129A89Confident89.9Confident19 Ų1950.4 Ų50.416%0.15726%0.259CS..Hα-helixtrans-62.1-45.9176.300000111.1L48 A125 S126 F131 V132 E133L48-A129 HydrophobicContact CD2-CB 4.27Å; A125-A129 HydrophobicContact CB-CB 4.08Å; S126-A129 PolarHBondContact O-N 3.45Å; S126-A129 PolarHBondContact OG-N 2.82Å; A129-F131 VanDerWaalsContact C-N 3.31Å; A129-F131 PolarHBondContact O-N 3.13Å; A129-V132 PolarHBondContact O-N 2.8Å; A129-E133 VanDerWaalsContact O-CB 3.29Å; A129-E133 WeakPolarHBondContact O-CB 3.3Å; A129-E133 VanDerWaalsContact O-CG 3.29Å; A129-E133 WeakPolarHBondContact O-CG 3.29Å; A129-E133 PolarHBondContact O-N 2.84Å
130F88Confident89.3Confident49 Ų4949.5 Ų49.522%0.21527%0.266CS..Hα-helixtrans-57.1-45.1175-177.8-98.9000111.9M46 L48 S126 I134 I135M46-F130 WeakPolarHBondContact O-CE2 3.25Å; L48-F130 HydrophobicContact CB-CB 4.47Å; L48-F130 HydrophobicContact CB-CD2 3.65Å; L48-F130 HydrophobicContact CB-CE2 4.46Å; L48-F130 HydrophobicContact CD2-CB 4.44Å; S126-F130 PolarHBondContact O-N 2.83Å; F130-I134 HydrophobicContact CD2-CB 4.44Å; F130-I134 HydrophobicContact CD2-CG1 4.09Å; F130-I134 HydrophobicContact CE2-CB 4.26Å; F130-I134 HydrophobicContact CE2-CG1 4.11Å; F130-I134 HydrophobicContact CE2-CG2 4.36Å; F130-I134 HydrophobicContact CZ-CB 4.49Å; F130-I134 HydrophobicContact CZ-CG2 4.36Å; F130-I134 WeakPolarHBondContact O-CB 3.45Å; F130-I134 PolarHBondContact O-N 3.23Å; F130-I135 HydrophobicContact CD1-CD1 4.49Å; F130-I135 HydrophobicContact CD1-CG1 3.96Å; F130-I135 HydrophobicContact CE1-CD1 3.7Å; F130-I135 HydrophobicContact CE1-CG1 3.67Å; F130-I135 HydrophobicContact CZ-CD1 4.24Å; F130-I135 PolarHBondContact O-N 3.01Å
131F85.8Confident88.8Confident14 Ų1453.9 Ų53.96%0.06129%0.288CS..Iπ-helixtrans-62.8-46.8177.6179.5-83.4000112.1P127 E128 A129 I135 R136 M139 L229P127-F131 WeakPolarHBondContact O-CB 3.49Å; P127-F131 PolarHBondContact O-N 3.39Å; E128-F131 PolarHBondContact O-N 3.16Å; A129-F131 VanDerWaalsContact C-N 3.31Å; A129-F131 PolarHBondContact O-N 3.13Å; F131-I135 HydrophobicContact CD2-CB 3.96Å; F131-I135 HydrophobicContact CD2-CG2 3.93Å; F131-I135 HydrophobicContact CE2-CB 4.27Å; F131-I135 HydrophobicContact CE2-CG2 3.81Å; F131-I135 HydrophobicContact CG-CB 4.47Å; F131-I135 PolarHBondContact O-N 2.88Å; F131-R136 HydrophobicContact CD1-CB 4.45Å; F131-R136 HydrophobicContact CE1-CB 3.93Å; F131-R136 HydrophobicContact CZ-CB 4.44Å; F131-R136 WeakPolarHBondContact O-CB 3.29Å; F131-R136 PolarHBondContact O-N 2.93Å; F131-M139 HydrophobicContact CE2-CE 3.94Å; F131-M139 HydrophobicContact CZ-CE 3.57Å; F131-L229 HydrophobicContact CD1-CD1 4.38Å; F131-L229 HydrophobicContact CD1-CD2 4.39Å; F131-L229 HydrophobicContact CE1-CD1 3.79Å; F131-L229 HydrophobicContact CE1-CD2 3.27Å; F131-L229 HydrophobicContact CE1-CG 4.13Å; F131-L229 HydrophobicContact CE2-CD1 3.92Å; F131-L229 HydrophobicContact CE2-CD2 4.44Å; F131-L229 HydrophobicContact CZ-CD1 3.5Å; F131-L229 HydrophobicContact CZ-CD2 3.29Å; F131-L229 HydrophobicContact CZ-CG 4Å
132V88.6Confident88.3Confident49 Ų4955 Ų5530%0.29730%0.295SS..Iπ-helixtrans-67.3-42.7-176.6170.20000111.7E128 A129 P137E128-V132 WeakPolarHBondContact O-CB 3.37Å; E128-V132 WeakPolarHBondContact O-CG2 3.3Å; E128-V132 PolarHBondContact O-N 2.72Å; A129-V132 PolarHBondContact O-N 2.8Å; V132-P137 VanDerWaalsContact O-CD 3.26Å; V132-P137 WeakPolarHBondContact O-CD 3.43Å
133E87.9Confident87.7Confident57 Ų5757 Ų5727%0.26631%0.305SS..Iπ-helixtrans-85.8-33.4-172.1-66.3-65.6167.300113.1K41 L48 A129 P137K41-E133 HydrophobicContact CD-CG 4.44Å; K41-E133 VanDerWaalsContact NZ-CD 3.29Å; K41-E133 IonicContact NZ-OE1 2.67Å; K41-E133 PolarHBondContact NZ-OE1 3.5Å; K41-E133 IonicContact NZ-OE2 2.62Å; L48-E133 HydrophobicContact CD2-CB 4.13Å; L48-E133 HydrophobicContact CD2-CG 4.31Å; A129-E133 VanDerWaalsContact O-CB 3.29Å; A129-E133 WeakPolarHBondContact O-CB 3.3Å; A129-E133 VanDerWaalsContact O-CG 3.29Å; A129-E133 WeakPolarHBondContact O-CG 3.29Å; A129-E133 PolarHBondContact O-N 2.84Å; E133-P137 WeakPolarHBondContact O-CG 3.29Å
134I86.2Confident87.2Confident7 Ų753.8 Ų53.84%0.03629%0.292CS..Iπ-helixtrans-112-60.8-172.6-51.1-58.2000110.7W15 T43 M45 F130 P137 L138W15-I134 HydrophobicContact CH2-CD1 4.49Å; W15-I134 HydrophobicContact CZ2-CD1 4.05Å; T43-I134 HydrophobicContact CG2-CD1 3.9Å; M45-I134 HydrophobicContact CE-CG2 4.31Å; F130-I134 HydrophobicContact CD2-CB 4.44Å; F130-I134 HydrophobicContact CD2-CG1 4.09Å; F130-I134 HydrophobicContact CE2-CB 4.26Å; F130-I134 HydrophobicContact CE2-CG1 4.11Å; F130-I134 HydrophobicContact CE2-CG2 4.36Å; F130-I134 HydrophobicContact CZ-CB 4.49Å; F130-I134 HydrophobicContact CZ-CG2 4.36Å; F130-I134 WeakPolarHBondContact O-CB 3.45Å; F130-I134 PolarHBondContact O-N 3.23Å; I134-P137 WeakPolarHBondContact O-CD 3.17Å; I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 WeakPolarHBondContact O-CD1 3.39Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 2.87Å
135I85Confident86.6Confident52 Ų5253 Ų5327%0.26729%0.291SS..Iπ-helixtrans-68-45.1-170-58.2-57.1000111.9F130 F131 L138 M139F130-I135 HydrophobicContact CD1-CD1 4.49Å; F130-I135 HydrophobicContact CD1-CG1 3.96Å; F130-I135 HydrophobicContact CE1-CD1 3.7Å; F130-I135 HydrophobicContact CE1-CG1 3.67Å; F130-I135 HydrophobicContact CZ-CD1 4.24Å; F130-I135 PolarHBondContact O-N 3.01Å; F131-I135 HydrophobicContact CD2-CB 3.96Å; F131-I135 HydrophobicContact CD2-CG2 3.93Å; F131-I135 HydrophobicContact CE2-CB 4.27Å; F131-I135 HydrophobicContact CE2-CG2 3.81Å; F131-I135 HydrophobicContact CG-CB 4.47Å; F131-I135 PolarHBondContact O-N 2.88Å; I135-L138 PolarHBondContact O-N 3.37Å; I135-M139 HydrophobicContact CG2-CE 4.09Å; I135-M139 HydrophobicContact CG2-CG 4.3Å; I135-M139 HydrophobicContact CG2-SD 4.29Å; I135-M139 WeakPolarHBondContact O-CB 3.33Å; I135-M139 WeakPolarHBondContact O-CG 3.39Å; I135-M139 PolarHBondContact O-N 3.3Å
136R85.3Confident86.2Confident80 Ų8054.2 Ų54.230%0.30230%0.295SS..Hα-helixtrans-63-49.2-178.1174.2-167.7-62.8174.30.7112.6F131 L138 M139 A140F131-R136 HydrophobicContact CD1-CB 4.45Å; F131-R136 HydrophobicContact CE1-CB 3.93Å; F131-R136 HydrophobicContact CZ-CB 4.44Å; F131-R136 WeakPolarHBondContact O-CB 3.29Å; F131-R136 PolarHBondContact O-N 2.93Å; R136-L138 PolarHBondContact O-N 3.23Å; R136-M139 PolarHBondContact O-N 3.4Å; R136-A140 PolarHBondContact O-N 2.85Å
137P85.6Confident85.9Confident58 Ų5858.8 Ų58.838%0.37731%0.305SS..Hα-helixtrans-61.6-40.5175.2-27.837.9000113V132 E133 I134 A140 I141V132-P137 VanDerWaalsContact O-CD 3.26Å; V132-P137 WeakPolarHBondContact O-CD 3.43Å; E133-P137 WeakPolarHBondContact O-CG 3.29Å; I134-P137 WeakPolarHBondContact O-CD 3.17Å; P137-A140 WeakPolarHBondContact O-CB 3.26Å; P137-A140 PolarHBondContact O-N 3.39Å; P137-I141 VanDerWaalsContact O-CG1 3.32Å; P137-I141 WeakPolarHBondContact O-CG1 3.29Å; P137-I141 PolarHBondContact O-N 2.97Å
138L84.2Confident85.7Confident71 Ų7162.3 Ų62.337%0.37231%0.309SS..Hα-helixtrans-61.9-45.3176.1-71.7172.7000111.9M45 I134 I135 R136 A140 I141 V142M45-L138 HydrophobicContact CE-CD1 3.72Å; M45-L138 HydrophobicContact CE-CD2 4Å; M45-L138 HydrophobicContact CE-CG 4.3Å; I134-L138 HydrophobicContact CG2-CD1 3.82Å; I134-L138 WeakPolarHBondContact O-CB 3.35Å; I134-L138 WeakPolarHBondContact O-CD1 3.39Å; I134-L138 WeakPolarHBondContact O-CG 3.46Å; I134-L138 PolarHBondContact O-N 2.87Å; I135-L138 PolarHBondContact O-N 3.37Å; R136-L138 PolarHBondContact O-N 3.23Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 2.66Å; L138-I141 WeakPolarHBondContact O-CB 3.44Å; L138-I141 PolarHBondContact O-N 3.23Å; L138-V142 WeakPolarHBondContact O-CG2 3.21Å; L138-V142 PolarHBondContact O-N 2.82Å
139M84.2Confident85.5Confident46 Ų4661.4 Ų61.423%0.22731%0.305CS..Hα-helixtrans-59.2-44.5173.3-73.9-168.3-58.600111.3F131 I135 R136 I141 V142 M143F131-M139 HydrophobicContact CE2-CE 3.94Å; F131-M139 HydrophobicContact CZ-CE 3.57Å; I135-M139 HydrophobicContact CG2-CE 4.09Å; I135-M139 HydrophobicContact CG2-CG 4.3Å; I135-M139 HydrophobicContact CG2-SD 4.29Å; I135-M139 WeakPolarHBondContact O-CB 3.33Å; I135-M139 WeakPolarHBondContact O-CG 3.39Å; I135-M139 PolarHBondContact O-N 3.3Å; R136-M139 PolarHBondContact O-N 3.4Å; M139-I141 VanDerWaalsContact C-N 3.28Å; M139-I141 PolarHBondContact O-N 3.43Å; M139-V142 PolarHBondContact O-N 3.15Å; M139-M143 VanDerWaalsContact O-CG 3.28Å; M139-M143 WeakPolarHBondContact O-CG 3.24Å; M139-M143 PolarHBondContact O-N 3.29Å
140A83.9Confident85.3Confident57 Ų5764.9 Ų64.947%0.47132%0.316SS..Hα-helixtrans-59.9-39.8177.600000112R136 P137 L138 H144R136-A140 PolarHBondContact O-N 2.85Å; P137-A140 WeakPolarHBondContact O-CB 3.26Å; P137-A140 PolarHBondContact O-N 3.39Å; L138-A140 VanDerWaalsContact C-N 3.32Å; L138-A140 PolarHBondContact O-N 2.66Å; A140-H144 VanDerWaalsContact O-CB 3.23Å; A140-H144 WeakPolarHBondContact O-CB 3.25Å; A140-H144 PolarHBondContact O-N 3.25Å
141I84.6Confident85.3Confident93 Ų9367 Ų6748%0.47733%0.327SS..Hα-helixtrans-64-47.1174.5-68.9164.9000110.7P137 L138 M139 M143 H144 N145P137-I141 VanDerWaalsContact O-CG1 3.32Å; P137-I141 WeakPolarHBondContact O-CG1 3.29Å; P137-I141 PolarHBondContact O-N 2.97Å; L138-I141 WeakPolarHBondContact O-CB 3.44Å; L138-I141 PolarHBondContact O-N 3.23Å; M139-I141 VanDerWaalsContact C-N 3.28Å; M139-I141 PolarHBondContact O-N 3.43Å; I141-M143 VanDerWaalsContact C-N 3.35Å; I141-M143 PolarHBondContact O-N 2.8Å; I141-H144 PolarHBondContact O-N 2.89Å; I141-N145 WeakPolarHBondContact O-CB 3.39Å; I141-N145 PolarHBondContact O-N 2.98Å; I141-N145 PolarHBondContact O-ND2 3.45Å
142V84.6Confident85.4Confident66 Ų6670.6 Ų70.640%0.435%0.346SS..Hα-helixtrans-58.6-47.3177.6171.90000110.7L138 M139 H144 N145 E146L138-V142 WeakPolarHBondContact O-CG2 3.21Å; L138-V142 PolarHBondContact O-N 2.82Å; M139-V142 PolarHBondContact O-N 3.15Å; V142-H144 PolarHBondContact O-N 3.32Å; V142-N145 PolarHBondContact O-N 2.74Å; V142-E146 PolarHBondContact O-N 2.81Å
143M83.8Confident85.2Confident41 Ų4169.9 Ų69.920%0.20234%0.34CS..Hα-helixtrans-64.8-39178-65.2-46.6-65.700112.4M139 I141 R147 H236M139-M143 VanDerWaalsContact O-CG 3.28Å; M139-M143 WeakPolarHBondContact O-CG 3.24Å; M139-M143 PolarHBondContact O-N 3.29Å; I141-M143 VanDerWaalsContact C-N 3.35Å; I141-M143 PolarHBondContact O-N 2.8Å; M143-R147 PolarHBondContact O-N 3.3Å; M143-H236 HydrophobicContact CE-CB 4.29Å; M143-H236 WeakPolarHBondContact CE-CE1 3.44Å; M143-H236 VanDerWaalsContact CE-ND1 3.27Å; M143-H236 WeakPolarHBondContact CE-ND1 3.35Å
144H85.1Confident85.1Confident86 Ų8672 Ų7240%0.39835%0.353SS..Hα-helixtrans-64.8-43.3175.7179.281.6000111.5A140 I141 V142 R147 R148A140-H144 VanDerWaalsContact O-CB 3.23Å; A140-H144 WeakPolarHBondContact O-CB 3.25Å; A140-H144 PolarHBondContact O-N 3.25Å; I141-H144 PolarHBondContact O-N 2.89Å; V142-H144 PolarHBondContact O-N 3.32Å; H144-R147 PolarHBondContact O-N 3.45Å; H144-R148 WeakPolarHBondContact NE2-CD 3.39Å; H144-R148 WeakPolarHBondContact O-CG 3.47Å; H144-R148 PolarHBondContact O-N 2.95Å
145N84.7Confident85.2Confident81 Ų8175 Ų7543%0.43337%0.367SS..Hα-helixtrans-64.4-43.1177-72.4-16.9000111.4I141 V142 R147 R148 E149I141-N145 WeakPolarHBondContact O-CB 3.39Å; I141-N145 PolarHBondContact O-N 2.98Å; I141-N145 PolarHBondContact O-ND2 3.45Å; V142-N145 PolarHBondContact O-N 2.74Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 2.77Å; N145-R148 PolarHBondContact O-N 3.43Å; N145-E149 VanDerWaalsContact O-CB 3.29Å; N145-E149 WeakPolarHBondContact O-CB 3.26Å; N145-E149 PolarHBondContact O-N 3.03Å
146E84.7Confident85.2Confident35 Ų3574.5 Ų74.516%0.16436%0.364CS..Hα-helixtrans-58.9-44.4175.2-168.1-164.7153.100111.4V142 E149 K150V142-E146 PolarHBondContact O-N 2.81Å; E146-E149 PolarHBondContact O-N 2.79Å; E146-K150 WeakPolarHBondContact O-CG 3.4Å; E146-K150 PolarHBondContact O-N 2.92Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.68Å; E146-K150 PolarHBondContact OE1-NZ 3.26Å
147R85Confident85.1Confident144 Ų14473.4 Ų73.454%0.54337%0.366SS..Hα-helixtrans-62.6-49.1176.1-173.5-172-60.7110.6-1.8111.7M143 H144 N145 E149 K150 E151M143-R147 PolarHBondContact O-N 3.3Å; H144-R147 PolarHBondContact O-N 3.45Å; N145-R147 VanDerWaalsContact C-N 3.32Å; N145-R147 PolarHBondContact O-N 2.77Å; R147-E149 PolarHBondContact O-N 2.9Å; R147-K150 PolarHBondContact O-N 3.3Å; R147-E151 PolarHBondContact O-N 3.04Å
148R85.5Confident85.2Confident146 Ų14674.3 Ų74.355%0.55137%0.371SS*.Hα-helixtrans-58.3-39.2178.5-80.4-17362.8178.73.4111.6H144 N145 E151 L152H144-R148 WeakPolarHBondContact NE2-CD 3.39Å; H144-R148 WeakPolarHBondContact O-CG 3.47Å; H144-R148 PolarHBondContact O-N 2.95Å; N145-R148 PolarHBondContact O-N 3.43Å; R148-E151 PolarHBondContact O-N 3.3Å; R148-L152 VanDerWaalsContact O-CG 3.28Å; R148-L152 WeakPolarHBondContact O-CG 3.38Å; R148-L152 PolarHBondContact O-N 3.46Å
149E84.1Confident85.2Confident39 Ų3978.5 Ų78.518%0.18238%0.382CS..Hα-helixtrans-70.8-39.6179.6-170.1174162.600112.7N145 E146 R147 E151 L152 I153 Y194 R198N145-E149 VanDerWaalsContact O-CB 3.29Å; N145-E149 WeakPolarHBondContact O-CB 3.26Å; N145-E149 PolarHBondContact O-N 3.03Å; E146-E149 PolarHBondContact O-N 2.79Å; R147-E149 PolarHBondContact O-N 2.9Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 2.82Å; E149-L152 PolarHBondContact O-N 3.22Å; E149-I153 HydrophobicContact CG-CD1 4.14Å; E149-I153 WeakPolarHBondContact O-CB 3.42Å; E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.17Å; E149-I153 PolarHBondContact O-N 3.25Å; E149-Y194 WeakPolarHBondContact OE1-CE1 3.5Å; E149-Y194 VanDerWaalsContact OE1-CZ 3.24Å; E149-Y194 PolarHBondContact OE1-OH 3.47Å; E149-R198 VanDerWaalsContact CD-NH2 3.34Å; E149-R198 IonicContact OE1-CZ 3.93Å; E149-R198 IonicContact OE1-NE 3.54Å; E149-R198 PolarHBondContact OE1-NE 3.48Å; E149-R198 IonicContact OE1-NH1 2.92Å; E149-R198 PolarHBondContact OE1-NH1 3.16Å; E149-R198 IonicContact OE1-NH2 3.25Å; E149-R198 IonicContact OE2-CZ 3.85Å; E149-R198 IonicContact OE2-NE 2.61Å; E149-R198 IonicContact OE2-NH1 2.89Å; E149-R198 PolarHBondContact OE2-NH1 3.44Å; E149-R198 IonicContact OE2-NH2 3.96Å; E149-R198 PolarHBondContact OE2-NH2 3.01Å
150K85.2Confident85Confident92 Ų9278.3 Ų78.340%0.438%0.382SS..Hα-helixtrans-58.7-43.1171.6-73.7175.4-175171.30111.6E146 R147 I153 L154E146-K150 WeakPolarHBondContact O-CG 3.4Å; E146-K150 PolarHBondContact O-N 2.92Å; E146-K150 WeakPolarHBondContact OE1-CE 3.47Å; E146-K150 IonicContact OE1-NZ 2.68Å; E146-K150 PolarHBondContact OE1-NZ 3.26Å; R147-K150 PolarHBondContact O-N 3.3Å; K150-I153 PolarHBondContact O-N 3.01Å; K150-L154 WeakPolarHBondContact O-CB 3.47Å; K150-L154 PolarHBondContact O-N 2.81Å
151E87.8Confident85Confident94 Ų9483.3 Ų83.344%0.43939%0.388SS..Hα-helixtrans-62.3-44.7175.8-17956.6-149.700111.4R147 R148 E149 I153 L154 Q155R147-E151 PolarHBondContact O-N 3.04Å; R148-E151 PolarHBondContact O-N 3.3Å; E149-E151 VanDerWaalsContact C-N 3.29Å; E149-E151 PolarHBondContact O-N 2.82Å; E151-I153 PolarHBondContact O-N 3.34Å; E151-L154 PolarHBondContact O-N 3.39Å; E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.31Å; E151-Q155 WeakPolarHBondContact O-CG 3.35Å; E151-Q155 PolarHBondContact O-N 3.44Å; E151-Q155 WeakPolarHBondContact OE1-CG 3.49Å; E151-Q155 PolarHBondContact OE1-NE2 2.87Å
152L86.7Confident84.9Confident89 Ų8982.8 Ų82.847%0.46638%0.383SS..Hα-helixtrans-61.9-43.3175.6-72.9170.8000112.1R148 E149 L154 Q155 I156R148-L152 VanDerWaalsContact O-CG 3.28Å; R148-L152 WeakPolarHBondContact O-CG 3.38Å; R148-L152 PolarHBondContact O-N 3.46Å; E149-L152 PolarHBondContact O-N 3.22Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 2.93Å; L152-Q155 PolarHBondContact O-N 3.5Å; L152-I156 WeakPolarHBondContact O-CB 3.43Å; L152-I156 WeakPolarHBondContact O-CD1 3.34Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 3.43Å
153I84.8Confident84.7Confident34 Ų3481.5 Ų81.517%0.17437%0.373CS..Hα-helixtrans-59.3-44.9175.4-72.8162.5000110.6E149 K150 E151 I156 T157 L191 I195E149-I153 HydrophobicContact CG-CD1 4.14Å; E149-I153 WeakPolarHBondContact O-CB 3.42Å; E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.17Å; E149-I153 PolarHBondContact O-N 3.25Å; K150-I153 PolarHBondContact O-N 3.01Å; E151-I153 PolarHBondContact O-N 3.34Å; I153-I156 PolarHBondContact O-N 3.44Å; I153-T157 WeakPolarHBondContact O-CB 3.27Å; I153-T157 PolarHBondContact O-N 3.01Å; I153-T157 PolarHBondContact O-OG1 3.2Å; I153-L191 HydrophobicContact CG1-CD1 4.21Å; I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CD1-CG1 4.05Å; I153-I195 HydrophobicContact CG1-CD1 4.26Å; I153-I195 HydrophobicContact CG1-CG1 4.41Å; I153-I195 HydrophobicContact CG2-CD1 3.57Å; I153-I195 HydrophobicContact CG2-CG1 4.46Å
154L86.1Confident84.6Confident100 Ų10082.2 Ų82.252%0.52438%0.376SS..Hα-helixtrans-62.6-46.7178.2179.764.9000111.2K150 E151 L152 I156 T157 T158K150-L154 WeakPolarHBondContact O-CB 3.47Å; K150-L154 PolarHBondContact O-N 2.81Å; E151-L154 PolarHBondContact O-N 3.39Å; L152-L154 VanDerWaalsContact C-N 3.32Å; L152-L154 PolarHBondContact O-N 2.93Å; L154-I156 PolarHBondContact O-N 3.29Å; L154-T157 PolarHBondContact O-N 3.29Å; L154-T158 WeakPolarHBondContact O-CB 3.26Å; L154-T158 PolarHBondContact O-N 3.33Å; L154-T158 PolarHBondContact O-OG1 2.81Å
155Q87.7Confident84.5Confident72 Ų7280.4 Ų80.434%0.33637%0.369SS..Hα-helixtrans-61.8-42.7178-72.5-179.69.200112.1E151 L152 R159E151-Q155 WeakPolarHBondContact O-CB 3.43Å; E151-Q155 VanDerWaalsContact O-CG 3.31Å; E151-Q155 WeakPolarHBondContact O-CG 3.35Å; E151-Q155 PolarHBondContact O-N 3.44Å; E151-Q155 WeakPolarHBondContact OE1-CG 3.49Å; E151-Q155 PolarHBondContact OE1-NE2 2.87Å; L152-Q155 PolarHBondContact O-N 3.5Å; Q155-R159 WeakPolarHBondContact O-CB 3.18Å; Q155-R159 VanDerWaalsContact O-CG 3.31Å; Q155-R159 WeakPolarHBondContact O-CG 2.99Å; Q155-R159 PolarHBondContact O-N 2.91Å
156I84.6Confident84.3Confident40 Ų4077.7 Ų77.721%0.20536%0.355CS..Hα-helixtrans-64.9-49.8176.6-65.7162.4000109.9L152 I153 L154 T158 R159 D160 Y187 L191L152-I156 WeakPolarHBondContact O-CB 3.43Å; L152-I156 WeakPolarHBondContact O-CD1 3.34Å; L152-I156 WeakPolarHBondContact O-CG1 3.5Å; L152-I156 PolarHBondContact O-N 3.43Å; I153-I156 PolarHBondContact O-N 3.44Å; L154-I156 PolarHBondContact O-N 3.29Å; I156-T158 VanDerWaalsContact C-N 3.26Å; I156-T158 PolarHBondContact O-N 2.88Å; I156-R159 PolarHBondContact O-N 3.38Å; I156-R159 VanDerWaalsContact O-N 3.12Å; I156-D160 WeakPolarHBondContact CG2-OD2 3.42Å; I156-D160 WeakPolarHBondContact O-CB 3.41Å; I156-D160 VanDerWaalsContact O-CG 3.29Å; I156-D160 PolarHBondContact O-N 2.83Å; I156-Y187 HydrophobicContact CD1-CE1 4.31Å; I156-Y187 HydrophobicContact CG2-CD1 4.41Å; I156-L191 HydrophobicContact CB-CD2 3.78Å; I156-L191 HydrophobicContact CD1-CD2 4.08Å; I156-L191 HydrophobicContact CG2-CD2 3.47Å; I156-L191 VanDerWaalsContact CG2-CD2 3.47Å
157T84.8Confident84Confident57 Ų5783.7 Ų83.735%0.3538%0.376SS..Hα-helixtrans-60.4-37.3-179.6-53.50000112.2I153 L154 R161I153-T157 WeakPolarHBondContact O-CB 3.27Å; I153-T157 PolarHBondContact O-N 3.01Å; I153-T157 PolarHBondContact O-OG1 3.2Å; L154-T157 PolarHBondContact O-N 3.29Å; T157-R161 WeakPolarHBondContact O-CB 3.45Å; T157-R161 PolarHBondContact O-N 3.2Å
158T86.3Confident83.8Confident77 Ų7783 Ų8347%0.47238%0.379SS..Hα-helixtrans-67.8-43177.3-57.30000111.2L154 I156 R161 F162L154-T158 WeakPolarHBondContact O-CB 3.26Å; L154-T158 PolarHBondContact O-N 3.33Å; L154-T158 PolarHBondContact O-OG1 2.81Å; I156-T158 VanDerWaalsContact C-N 3.26Å; I156-T158 PolarHBondContact O-N 2.88Å; T158-R161 PolarHBondContact O-N 2.82Å; T158-F162 PolarHBondContact O-N 2.78Å
159R84.1Confident83.2Confident159 Ų15979 Ų7960%0.638%0.382SS*.Hα-helixtrans-67.8-38.8175.9-74.2177.4178151.63.4112.2Q155 I156 F162 I163Q155-R159 WeakPolarHBondContact O-CB 3.18Å; Q155-R159 VanDerWaalsContact O-CG 3.31Å; Q155-R159 WeakPolarHBondContact O-CG 2.99Å; Q155-R159 PolarHBondContact O-N 2.91Å; I156-R159 PolarHBondContact O-N 3.38Å; I156-R159 VanDerWaalsContact O-N 3.12Å; R159-F162 PolarHBondContact O-N 3.31Å; R159-I163 WeakPolarHBondContact O-CG1 3.24Å; R159-I163 PolarHBondContact O-N 3.39Å
160D81.9Confident82.8Confident42 Ų4281.2 Ų81.223%0.22540%0.399CS..Hα-helixtrans-63.4-44.1176.3-73.6-14.7000110.8I156 F162 I163 E164 A188I156-D160 WeakPolarHBondContact CG2-OD2 3.42Å; I156-D160 WeakPolarHBondContact O-CB 3.41Å; I156-D160 VanDerWaalsContact O-CG 3.29Å; I156-D160 PolarHBondContact O-N 2.83Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 2.94Å; D160-I163 PolarHBondContact O-N 3.37Å; D160-E164 PolarHBondContact O-N 3.43Å; D160-A188 HydrophobicContact CB-CB 4.48Å; D160-A188 VanDerWaalsContact OD2-CB 3.26Å; D160-A188 WeakPolarHBondContact OD2-CB 3.47Å
161R82.9Confident82.3Confident162 Ų16279.8 Ų79.861%0.61140%0.398SS*.Hα-helixtrans-59.5-46173.7-174-178.1-63.3151.81.2111.6T157 T158 I163 E164 D165T157-R161 WeakPolarHBondContact O-CB 3.45Å; T157-R161 PolarHBondContact O-N 3.2Å; T158-R161 PolarHBondContact O-N 2.82Å; R161-I163 VanDerWaalsContact C-N 3.28Å; R161-I163 PolarHBondContact O-N 3.08Å; R161-E164 PolarHBondContact O-N 3.35Å; R161-E164 VanDerWaalsContact O-N 3.14Å; R161-D165 VanDerWaalsContact O-CG 3.26Å; R161-D165 PolarHBondContact O-N 3.15Å
162F82.9Confident81.7Confident82 Ų8283.9 Ų83.936%0.3642%0.417SS..Hα-helixtrans-60.5-37.1176.9177.6-102.5000112.6T158 R159 D160 D165 L166 V171 P174T158-F162 PolarHBondContact O-N 2.78Å; R159-F162 PolarHBondContact O-N 3.31Å; D160-F162 VanDerWaalsContact C-N 3.35Å; D160-F162 PolarHBondContact O-N 2.94Å; F162-D165 PolarHBondContact O-N 3.16Å; F162-L166 HydrophobicContact CD1-CD1 3.93Å; F162-L166 HydrophobicContact CD1-CG 4.35Å; F162-L166 HydrophobicContact CE1-CD1 3.39Å; F162-L166 HydrophobicContact CE1-CG 3.98Å; F162-L166 HydrophobicContact CE2-CD2 4.46Å; F162-L166 HydrophobicContact CE2-CG 4.39Å; F162-L166 HydrophobicContact CZ-CD1 3.8Å; F162-L166 HydrophobicContact CZ-CD2 4.09Å; F162-L166 HydrophobicContact CZ-CG 3.99Å; F162-L166 WeakPolarHBondContact O-CB 3.06Å; F162-L166 VanDerWaalsContact O-CG 3.29Å; F162-L166 WeakPolarHBondContact O-CG 3.35Å; F162-L166 PolarHBondContact O-N 3.4Å; F162-V171 HydrophobicContact CD2-CG1 4.48Å; F162-V171 HydrophobicContact CE2-CG1 3.83Å; F162-P174 HydrophobicContact CZ-CG 4.31Å
163I80.9Confident80.9Confident39 Ų3981.4 Ų81.420%0.241%0.407CS..Hα-helixtrans-65.8-41.8174.9-71.9166.5000111.1R159 D160 R161 L166 R167 V180 F183R159-I163 WeakPolarHBondContact O-CG1 3.24Å; R159-I163 PolarHBondContact O-N 3.39Å; D160-I163 PolarHBondContact O-N 3.37Å; R161-I163 VanDerWaalsContact C-N 3.28Å; R161-I163 PolarHBondContact O-N 3.08Å; I163-L166 PolarHBondContact O-N 3.23Å; I163-R167 WeakPolarHBondContact O-CB 3.33Å; I163-R167 PolarHBondContact O-N 2.97Å; I163-V180 HydrophobicContact CG2-CG1 4.12Å; I163-F183 HydrophobicContact CG2-CB 4.44Å
164E81.5Confident80.1Confident57 Ų5785 Ų8527%0.26643%0.433SS..Hα-helixtrans-66-42.8176-16163.9-145.900111.2D160 R161 L166 R167 E168D160-E164 PolarHBondContact O-N 3.43Å; R161-E164 PolarHBondContact O-N 3.35Å; R161-E164 VanDerWaalsContact O-N 3.14Å; E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.36Å; E164-R167 CarbonylContact O-C 3.55Å; E164-R167 WeakPolarHBondContact O-CA 3.38Å; E164-R167 WeakPolarHBondContact O-CB 3.36Å; E164-R167 PolarHBondContact O-N 3.1Å; E164-R167 IonicContact OE1-CZ 2.97Å; E164-R167 IonicContact OE1-NH1 3.24Å; E164-R167 PolarHBondContact OE1-NH1 3.02Å; E164-R167 IonicContact OE2-NH1 3.73Å; E164-E168 PolarHBondContact O-N 3.49Å
165D82.4Confident79.2Confident48 Ų4889.8 Ų89.826%0.25744%0.444SS..Hα-helixtrans-58.4-43.4175.2-70-24.1000111.8R161 F162 R167 E168 G169 T170 V171R161-D165 VanDerWaalsContact O-CG 3.26Å; R161-D165 PolarHBondContact O-N 3.15Å; F162-D165 PolarHBondContact O-N 3.16Å; D165-R167 VanDerWaalsContact C-N 3.27Å; D165-R167 PolarHBondContact O-N 2.83Å; D165-E168 PolarHBondContact O-N 2.86Å; D165-G169 PolarHBondContact O-N 3.41Å; D165-T170 VanDerWaalsContact CA-OG1 3.23Å; D165-T170 WeakPolarHBondContact CA-OG1 3.5Å; D165-T170 VanDerWaalsContact CB-OG1 3.26Å; D165-T170 WeakPolarHBondContact CB-OG1 3.29Å; D165-T170 PolarHBondContact O-N 3.27Å; D165-T170 PolarHBondContact O-OG1 3.34Å; D165-T170 VanDerWaalsContact O-OG1 3.07Å; D165-V171 HydrophobicContact CB-CB 4.33Å; D165-V171 HydrophobicContact CB-CG2 3.86Å
166L80.9Confident78Confident23 Ų2390.7 Ų90.712%0.1247%0.472CS..Hα-helixtrans-63.1-32.2173.5-74.6-179.7000112.7F162 I163 E164 V171 V180F162-L166 HydrophobicContact CD1-CD1 3.93Å; F162-L166 HydrophobicContact CD1-CG 4.35Å; F162-L166 HydrophobicContact CE1-CD1 3.39Å; F162-L166 HydrophobicContact CE1-CG 3.98Å; F162-L166 HydrophobicContact CE2-CD2 4.46Å; F162-L166 HydrophobicContact CE2-CG 4.39Å; F162-L166 HydrophobicContact CZ-CD1 3.8Å; F162-L166 HydrophobicContact CZ-CD2 4.09Å; F162-L166 HydrophobicContact CZ-CG 3.99Å; F162-L166 WeakPolarHBondContact O-CB 3.06Å; F162-L166 VanDerWaalsContact O-CG 3.29Å; F162-L166 WeakPolarHBondContact O-CG 3.35Å; F162-L166 PolarHBondContact O-N 3.4Å; I163-L166 PolarHBondContact O-N 3.23Å; E164-L166 VanDerWaalsContact C-N 3.33Å; E164-L166 PolarHBondContact O-N 3.36Å; L166-V171 HydrophobicContact CD2-CB 4.38Å; L166-V171 HydrophobicContact CD2-CG1 4.37Å; L166-V171 WeakPolarHBondContact CD2-O 3.46Å; L166-V180 HydrophobicContact CB-CG1 3.95Å; L166-V180 HydrophobicContact CB-CG2 4.21Å; L166-V180 HydrophobicContact CD1-CG1 4.19Å
167R77.2Confident77Confident161 Ų16192.3 Ų92.361%0.60850%0.499SS*.Hα-helixtrans-77.2-38.9178.9-176.6-175.8173.8-144.62.3112I163 E164 D165 G169I163-R167 WeakPolarHBondContact O-CB 3.33Å; I163-R167 PolarHBondContact O-N 2.97Å; E164-R167 CarbonylContact O-C 3.55Å; E164-R167 WeakPolarHBondContact O-CA 3.38Å; E164-R167 WeakPolarHBondContact O-CB 3.36Å; E164-R167 PolarHBondContact O-N 3.1Å; E164-R167 IonicContact OE1-CZ 2.97Å; E164-R167 IonicContact OE1-NH1 3.24Å; E164-R167 PolarHBondContact OE1-NH1 3.02Å; E164-R167 IonicContact OE2-NH1 3.73Å; D165-R167 VanDerWaalsContact C-N 3.27Å; D165-R167 PolarHBondContact O-N 2.83Å; R167-G169 PolarHBondContact O-N 3.47Å
168E80.6Confident75.8Confident131 Ų13193.8 Ų93.861%0.61250%0.504SS*.Hα-helixtrans-72.8-15.6173.8-68.3-174.5176.100112.3E164 D165 T170E164-E168 PolarHBondContact O-N 3.49Å; D165-E168 PolarHBondContact O-N 2.86Å; E168-T170 VanDerWaalsContact C-N 3.35Å; E168-T170 HydrophobicContact CB-CG2 4.05Å
169G73.5Confident74.9Confident60 Ų6093.6 Ų93.662%0.61950%0.5SS*.THydrogen-bonded Turntrans78.619.6-17900000113.2D165 R167 V171D165-G169 PolarHBondContact O-N 3.41Å; R167-G169 PolarHBondContact O-N 3.47Å; G169-V171 VanDerWaalsContact C-N 3.33Å
170T75.9Confident73.9Confident87 Ų8787.2 Ų87.253%0.53448%0.479SS..SBendtrans-80.8-15.7178.5580000112.5D165 E168D165-T170 VanDerWaalsContact CA-OG1 3.23Å; D165-T170 WeakPolarHBondContact CA-OG1 3.5Å; D165-T170 VanDerWaalsContact CB-OG1 3.26Å; D165-T170 WeakPolarHBondContact CB-OG1 3.29Å; D165-T170 PolarHBondContact O-N 3.27Å; D165-T170 PolarHBondContact O-OG1 3.34Å; D165-T170 VanDerWaalsContact O-OG1 3.07Å; E168-T170 VanDerWaalsContact C-N 3.35Å; E168-T170 HydrophobicContact CB-CG2 4.05Å
171V75.2Confident72.9Confident61 Ų6195.9 Ų95.937%0.3751%0.508SS..SBendtrans-135.1142.5178.9-179.70000110.4F162 D165 L166 G169F162-V171 HydrophobicContact CD2-CG1 4.48Å; F162-V171 HydrophobicContact CE2-CG1 3.83Å; D165-V171 HydrophobicContact CB-CB 4.33Å; D165-V171 HydrophobicContact CB-CG2 3.86Å; L166-V171 HydrophobicContact CD2-CB 4.38Å; L166-V171 HydrophobicContact CD2-CG1 4.37Å; L166-V171 WeakPolarHBondContact CD2-O 3.46Å; G169-V171 VanDerWaalsContact C-N 3.33Å
172E74.3Confident72Confident180 Ų18096 Ų9684%0.84151%0.513SS*.  trans-82.3135.7174.2-67.7-173.2168.300111.5P174E172-P174 WeakPolarHBondContact O-CD 3.25Å
173S69.9Low70.9Confident37 Ų3797.6 Ų97.626%0.25952%0.52SS..  trans-67.4126177.3178.30000111R175S173-R175 PolarHBondContact O-N 3.37Å; S173-R175 VanDerWaalsContact O-N 3.15Å; S173-R175 PolarHBondContact OG-N 2.9Å; S173-R175 PolarHBondContact OG-O 2.92Å
174P69.2Low69.8Low111 Ų111103.7 Ų103.772%0.72155%0.548SS*.SBendtrans-64.8-19.9177.23.9-3.1000113.5F162 E172F162-P174 HydrophobicContact CZ-CG 4.31Å; E172-P174 WeakPolarHBondContact O-CD 3.25Å
175R66.2Low68.6Low200 Ų200103.7 Ų103.776%0.75555%0.552SS**SBendtrans-117.2105.8171.6-61.5-175.8-168.3-164.22.9107.4S173 G177 L178S173-R175 PolarHBondContact O-N 3.37Å; S173-R175 VanDerWaalsContact O-N 3.15Å; S173-R175 PolarHBondContact OG-N 2.9Å; S173-R175 PolarHBondContact OG-O 2.92Å; R175-G177 PolarHBondContact O-N 3.22Å; R175-L178 HydrophobicContact CB-CD1 4.25Å
176G62.7Low67.5Low91 Ų91104.2 Ų104.294%0.93856%0.557SS**THydrogen-bonded Turntrans-65.752.5-171.700000116.3
177G63.1Low66.5Low73 Ų73110.6 Ų110.675%0.75358%0.58SS**THydrogen-bonded Turntrans-173.213.9179.800000115.5R175 D179R175-G177 PolarHBondContact O-N 3.22Å; G177-D179 PolarHBondContact O-N 3.44Å
178L60.7Low65.7Low88 Ų88103.4 Ų103.446%0.46156%0.556SS.*  trans-76.8110.6173.8-97.3140.6000110R175 V180 F183R175-L178 HydrophobicContact CB-CD1 4.25Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 3.49Å; L178-F183 HydrophobicContact CD2-CE2 3.96Å
179D66.3Low65.1Low73 Ų73101.4 Ų101.439%0.3955%0.549SS..  trans-73.884.7168.8-176.45.2000109.7G177 R181 K182G177-D179 PolarHBondContact O-N 3.44Å; D179-R181 PolarHBondContact O-N 2.91Å; D179-R181 VanDerWaalsContact O-N 3.17Å; D179-R181 WeakPolarHBondContact OD1-CB 3.17Å; D179-R181 PolarHBondContact OD1-N 3.2Å; D179-K182 HydrophobicContact CB-CD 4.35Å; D179-K182 PolarHBondContact O-N 2.96Å; D179-K182 WeakPolarHBondContact OD2-CD 3.5Å; D179-K182 WeakPolarHBondContact OD2-CE 3.32Å; D179-K182 WeakPolarHBondContact OD2-CG 3.37Å; D179-K182 IonicContact OD2-NZ 2.65Å
180V63.2Low64.9Low26 Ų26106.4 Ų106.416%0.15855%0.549CS..G310 helixtrans-60.9-21.2-178.9-123.80000112.8I163 L166 L178 K182 F183I163-V180 HydrophobicContact CG2-CG1 4.12Å; L166-V180 HydrophobicContact CB-CG1 3.95Å; L166-V180 HydrophobicContact CB-CG2 4.21Å; L166-V180 HydrophobicContact CD1-CG1 4.19Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 PolarHBondContact O-N 3.49Å; V180-K182 PolarHBondContact O-N 2.95Å; V180-F183 PolarHBondContact O-N 2.88Å; V180-F183 VanDerWaalsContact O-N 3.15Å
181R62.1Low64.7Low223 Ų223103.2 Ų103.284%0.84253%0.529SS*.G310 helixtrans-70.1-20.5-179.1-53.5-177.7-158.3-175.25.8112.9D179 F183D179-R181 PolarHBondContact O-N 2.91Å; D179-R181 VanDerWaalsContact O-N 3.17Å; D179-R181 WeakPolarHBondContact OD1-CB 3.17Å; D179-R181 PolarHBondContact OD1-N 3.2Å; R181-F183 VanDerWaalsContact C-N 3.34Å
182K63.2Low64.5Low165 Ų165107.9 Ų107.972%0.71754%0.54SS*.G310 helixtrans-78.8-16.6174.9-71.9177179.9166.60113.1D179 V180 Q184D179-K182 HydrophobicContact CB-CD 4.35Å; D179-K182 PolarHBondContact O-N 2.96Å; D179-K182 WeakPolarHBondContact OD2-CD 3.5Å; D179-K182 WeakPolarHBondContact OD2-CE 3.32Å; D179-K182 WeakPolarHBondContact OD2-CG 3.37Å; D179-K182 IonicContact OD2-NZ 2.65Å; V180-K182 PolarHBondContact O-N 2.95Å; K182-Q184 PolarHBondContact O-N 3.43Å
183F60.7Low64.4Low115 Ų115101.8 Ų101.850%0.50452%0.52SS..  trans-74.793.1172.3-81.4-87.7000109I163 L178 V180 R181 V185I163-F183 HydrophobicContact CG2-CB 4.44Å; L178-F183 HydrophobicContact CD2-CE2 3.96Å; V180-F183 PolarHBondContact O-N 2.88Å; V180-F183 VanDerWaalsContact O-N 3.15Å; R181-F183 VanDerWaalsContact C-N 3.34Å; F183-V185 PolarHBondContact O-N 3.35Å
184Q57.1Low64.6Low167 Ų167105 Ų10578%0.7853%0.527SS*.  trans-64.4121.5164.5-72-174.6-23.600108K182 T186K182-Q184 PolarHBondContact O-N 3.43Å; Q184-T186 WeakPolarHBondContact CB-OG1 3.47Å; Q184-T186 PolarHBondContact O-N 3.39Å; Q184-T186 PolarHBondContact O-OG1 3.35Å
185V55.7Low64.6Low57 Ų57101.7 Ų101.735%0.34550%0.503SS..  trans-70.751.7176.7-1740000110.1F183 A188F183-V185 PolarHBondContact O-N 3.35Å; V185-A188 HydrophobicContact CG1-CB 3.59Å
186T59.2Low64.9Low59 Ų5994.4 Ų94.436%0.36249%0.486SS..Hα-helixtrans-85.2-14.5178.9-25.80000111.9Q184 R190Q184-T186 WeakPolarHBondContact CB-OG1 3.47Å; Q184-T186 PolarHBondContact O-N 3.39Å; Q184-T186 PolarHBondContact O-OG1 3.35Å; T186-R190 WeakPolarHBondContact O-CG 3.2Å; T186-R190 PolarHBondContact O-NE 2.77Å
187Y59.9Low65.2Low157 Ų15795.2 Ų95.262%0.61647%0.467SS*.Hα-helixtrans-85.7-42-178.5-140.3-89.3000111.8I156 D189 R190 L191I156-Y187 HydrophobicContact CD1-CE1 4.31Å; I156-Y187 HydrophobicContact CG2-CD1 4.41Å; Y187-D189 PolarHBondContact O-N 3.2Å; Y187-R190 PolarHBondContact O-N 3.1Å; Y187-L191 VanDerWaalsContact O-CB 3.31Å; Y187-L191 WeakPolarHBondContact O-CB 3.28Å; Y187-L191 PolarHBondContact O-N 3.29Å
188A61Low65.3Low11 Ų1193.5 Ų93.59%0.09144%0.438CS..Hα-helixtrans-61.4-42.5178.600000112.2D160 V185 L191 R192D160-A188 HydrophobicContact CB-CB 4.48Å; D160-A188 VanDerWaalsContact OD2-CB 3.26Å; D160-A188 WeakPolarHBondContact OD2-CB 3.47Å; V185-A188 HydrophobicContact CG1-CB 3.59Å; A188-L191 PolarHBondContact O-N 3.19Å; A188-R192 WeakPolarHBondContact O-CB 3.14Å; A188-R192 VanDerWaalsContact O-CG 3.29Å; A188-R192 WeakPolarHBondContact O-CG 3.27Å; A188-R192 PolarHBondContact O-N 3.46Å
189D68.2Low65.6Low89 Ų8995.8 Ų95.848%0.47645%0.446SS..Hα-helixtrans-67-41.5177.6-70.6-16.8000112.1Y187 L191 R192 A193Y187-D189 PolarHBondContact O-N 3.2Å; D189-L191 VanDerWaalsContact C-N 3.34Å; D189-R192 PolarHBondContact O-N 3.49Å; D189-R192 IonicContact OD1-CZ 3.01Å; D189-R192 IonicContact OD1-NE 3.55Å; D189-R192 IonicContact OD1-NH2 3.75Å; D189-R192 PolarHBondContact OD1-NH2 3.44Å; D189-A193 WeakPolarHBondContact O-CB 3.4Å; D189-A193 PolarHBondContact O-N 3.11Å
190R69.6Low65.3Low164 Ų16499.8 Ų99.862%0.61946%0.462SS*.Hα-helixtrans-65.5-38.4174.5-77.8-170.6-95.1-158.4-4.6112T186 Y187 Y194T186-R190 WeakPolarHBondContact O-CG 3.2Å; T186-R190 PolarHBondContact O-NE 2.77Å; Y187-R190 PolarHBondContact O-N 3.1Å; R190-Y194 VanDerWaalsContact O-CB 3.26Å; R190-Y194 WeakPolarHBondContact O-CB 3.04Å; R190-Y194 PolarHBondContact O-N 3.42Å
191L70.8Confident65.2Low21 Ų21102.8 Ų102.811%0.1148%0.477CS..Hα-helixtrans-69.5-41.6176.4-173.165.2000111.4I153 I156 Y187 A188 D189 Y194 I195I153-L191 HydrophobicContact CG1-CD1 4.21Å; I156-L191 HydrophobicContact CB-CD2 3.78Å; I156-L191 HydrophobicContact CD1-CD2 4.08Å; I156-L191 HydrophobicContact CG2-CD2 3.47Å; I156-L191 VanDerWaalsContact CG2-CD2 3.47Å; Y187-L191 VanDerWaalsContact O-CB 3.31Å; Y187-L191 WeakPolarHBondContact O-CB 3.28Å; Y187-L191 PolarHBondContact O-N 3.29Å; A188-L191 PolarHBondContact O-N 3.19Å; D189-L191 VanDerWaalsContact C-N 3.34Å; L191-Y194 HydrophobicContact CD1-CD1 4.23Å; L191-Y194 PolarHBondContact O-N 3.04Å; L191-I195 HydrophobicContact CD1-CD1 4.39Å; L191-I195 HydrophobicContact CD1-CG1 4.48Å; L191-I195 HydrophobicContact CD2-CD1 4.43Å; L191-I195 HydrophobicContact CG-CD1 3.88Å; L191-I195 HydrophobicContact CG-CG1 4.4Å; L191-I195 WeakPolarHBondContact O-CB 3.34Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.12Å; L191-I195 PolarHBondContact O-N 3.4Å
192R70.6Confident65Low159 Ų15996 Ų9660%0.645%0.451SS*.Hα-helixtrans-60.1-46.4173.8-77.9-170.3-79.1-162.2-3.6111.3A188 D189 Y194 I195 A196A188-R192 WeakPolarHBondContact O-CB 3.14Å; A188-R192 VanDerWaalsContact O-CG 3.29Å; A188-R192 WeakPolarHBondContact O-CG 3.27Å; A188-R192 PolarHBondContact O-N 3.46Å; D189-R192 PolarHBondContact O-N 3.49Å; D189-R192 IonicContact OD1-CZ 3.01Å; D189-R192 IonicContact OD1-NE 3.55Å; D189-R192 IonicContact OD1-NH2 3.75Å; D189-R192 PolarHBondContact OD1-NH2 3.44Å; R192-Y194 VanDerWaalsContact C-N 3.35Å; R192-Y194 PolarHBondContact O-N 3.13Å; R192-I195 PolarHBondContact O-N 3.18Å; R192-A196 WeakPolarHBondContact O-CB 3.27Å; R192-A196 PolarHBondContact O-N 2.83Å
193A73.7Confident64.7Low51 Ų5192 Ų9242%0.42144%0.443SS..Hα-helixtrans-61-43.6174.600000111.7D189 A196 I197D189-A193 WeakPolarHBondContact O-CB 3.4Å; D189-A193 PolarHBondContact O-N 3.11Å; A193-A196 PolarHBondContact O-N 2.94Å; A193-I197 WeakPolarHBondContact O-CB 3.32Å; A193-I197 VanDerWaalsContact O-CG1 3.27Å; A193-I197 WeakPolarHBondContact O-CG1 3.49Å; A193-I197 PolarHBondContact O-N 3.45Å
194Y72.7Confident64.5Low106 Ų10689.9 Ų89.942%0.41644%0.442SS..Hα-helixtrans-61.9-46.6176.1173.9-97.4000112.3E149 R190 L191 R192 A196 I197 R198E149-Y194 WeakPolarHBondContact OE1-CE1 3.5Å; E149-Y194 VanDerWaalsContact OE1-CZ 3.24Å; E149-Y194 PolarHBondContact OE1-OH 3.47Å; R190-Y194 VanDerWaalsContact O-CB 3.26Å; R190-Y194 WeakPolarHBondContact O-CB 3.04Å; R190-Y194 PolarHBondContact O-N 3.42Å; L191-Y194 HydrophobicContact CD1-CD1 4.23Å; L191-Y194 PolarHBondContact O-N 3.04Å; R192-Y194 VanDerWaalsContact C-N 3.35Å; R192-Y194 PolarHBondContact O-N 3.13Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; Y194-A196 PolarHBondContact O-N 2.77Å; Y194-I197 PolarHBondContact O-N 3.36Å; Y194-R198 WeakPolarHBondContact O-CB 3.29Å; Y194-R198 PolarHBondContact O-N 3.3Å; Y194-R198 WeakPolarHBondContact OH-CD 3.36Å; Y194-R198 PolarHBondContact OH-NE 2.89Å
195I69.4Low64.4Low41 Ų4184.3 Ų84.321%0.2142%0.424CS..Hα-helixtrans-61.5-43.3176.9-68.5164.9000110.6I153 L191 R192 R198 Q199I153-I195 HydrophobicContact CD1-CD1 4.31Å; I153-I195 HydrophobicContact CD1-CG1 4.05Å; I153-I195 HydrophobicContact CG1-CD1 4.26Å; I153-I195 HydrophobicContact CG1-CG1 4.41Å; I153-I195 HydrophobicContact CG2-CD1 3.57Å; I153-I195 HydrophobicContact CG2-CG1 4.46Å; L191-I195 HydrophobicContact CD1-CD1 4.39Å; L191-I195 HydrophobicContact CD1-CG1 4.48Å; L191-I195 HydrophobicContact CD2-CD1 4.43Å; L191-I195 HydrophobicContact CG-CD1 3.88Å; L191-I195 HydrophobicContact CG-CG1 4.4Å; L191-I195 WeakPolarHBondContact O-CB 3.34Å; L191-I195 VanDerWaalsContact O-CG1 3.24Å; L191-I195 WeakPolarHBondContact O-CG1 3.12Å; L191-I195 PolarHBondContact O-N 3.4Å; R192-I195 PolarHBondContact O-N 3.18Å; I195-R198 PolarHBondContact O-N 2.79Å; I195-Q199 HydrophobicContact CG2-CG 4.33Å; I195-Q199 WeakPolarHBondContact O-CB 3.5Å; I195-Q199 WeakPolarHBondContact O-CG 3.23Å; I195-Q199 PolarHBondContact O-N 3.43Å
196A72.7Confident64.5Low47 Ų4782.9 Ų82.939%0.38841%0.414SS..Hα-helixtrans-62.5-48.8178.500000112R192 A193 Y194 R198 H200R192-A196 WeakPolarHBondContact O-CB 3.27Å; R192-A196 PolarHBondContact O-N 2.83Å; A193-A196 PolarHBondContact O-N 2.94Å; Y194-A196 VanDerWaalsContact C-N 3.34Å; Y194-A196 PolarHBondContact O-N 2.77Å; A196-R198 VanDerWaalsContact C-N 3.27Å; A196-R198 PolarHBondContact O-N 3.25Å; A196-H200 PolarHBondContact O-CD2 3.23Å; A196-H200 VanDerWaalsContact O-CD2 3.26Å; A196-H200 PolarHBondContact O-N 2.95Å
197I69.7Low64.5Low107 Ų10782.1 Ų82.155%0.54941%0.414SS..Hα-helixtrans-59.7-42.1175.7-68.2166.3000110.2A193 Y194 H200 I201A193-I197 WeakPolarHBondContact O-CB 3.32Å; A193-I197 VanDerWaalsContact O-CG1 3.27Å; A193-I197 WeakPolarHBondContact O-CG1 3.49Å; A193-I197 PolarHBondContact O-N 3.45Å; Y194-I197 PolarHBondContact O-N 3.36Å; I197-H200 WeakPolarHBondContact O-CB 3.27Å; I197-H200 PolarHBondContact O-N 2.87Å; I197-I201 HydrophobicContact CG2-CD1 3.59Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 3.06Å
198R65.6Low64.6Low37 Ų3779.8 Ų79.814%0.1441%0.412CS..Hα-helixtrans-71.5-38.1-175.6-168.3167.5-172.4-118.5-5.1113.7E149 Y194 I195 A196 H200 I201 Y202E149-R198 VanDerWaalsContact CD-NH2 3.34Å; E149-R198 IonicContact OE1-CZ 3.93Å; E149-R198 IonicContact OE1-NE 3.54Å; E149-R198 PolarHBondContact OE1-NE 3.48Å; E149-R198 IonicContact OE1-NH1 2.92Å; E149-R198 PolarHBondContact OE1-NH1 3.16Å; E149-R198 IonicContact OE1-NH2 3.25Å; E149-R198 IonicContact OE2-CZ 3.85Å; E149-R198 IonicContact OE2-NE 2.61Å; E149-R198 IonicContact OE2-NH1 2.89Å; E149-R198 PolarHBondContact OE2-NH1 3.44Å; E149-R198 IonicContact OE2-NH2 3.96Å; E149-R198 PolarHBondContact OE2-NH2 3.01Å; Y194-R198 WeakPolarHBondContact O-CB 3.29Å; Y194-R198 PolarHBondContact O-N 3.3Å; Y194-R198 WeakPolarHBondContact OH-CD 3.36Å; Y194-R198 PolarHBondContact OH-NE 2.89Å; I195-R198 PolarHBondContact O-N 2.79Å; A196-R198 VanDerWaalsContact C-N 3.27Å; A196-R198 PolarHBondContact O-N 3.25Å; R198-H200 PolarHBondContact O-N 3.19Å; R198-I201 PolarHBondContact O-N 3.47Å; R198-I201 VanDerWaalsContact O-N 3.13Å; R198-Y202 HydrophobicContact CG-CD2 3.51Å; R198-Y202 HydrophobicContact CG-CE2 3.57Å; R198-Y202 PolarHBondContact NH2-OH 3.47Å; R198-Y202 WeakPolarHBondContact O-CD2 3.47Å; R198-Y202 PolarHBondContact O-N 2.58Å
199Q65.3Low64.8Low136 Ų13683.3 Ų83.364%0.63643%0.428SS*.Hα-helixtrans-59.9-26.2172.5-78.5178.7-18.100112.3I195 P203I195-Q199 HydrophobicContact CG2-CG 4.33Å; I195-Q199 WeakPolarHBondContact O-CB 3.5Å; I195-Q199 WeakPolarHBondContact O-CG 3.23Å; I195-Q199 PolarHBondContact O-N 3.43Å; Q199-P203 WeakPolarHBondContact O-CD 3.46Å; Q199-P203 VanDerWaalsContact O-CG 3.29Å; Q199-P203 WeakPolarHBondContact O-CG 3.42Å
200H61.2Low64.3Low157 Ų15780.5 Ų80.573%0.72741%0.411SS*.Hα-helixtrans-82.5-32173.3-78.3-66.5000114.1A196 I197 R198A196-H200 PolarHBondContact O-CD2 3.23Å; A196-H200 VanDerWaalsContact O-CD2 3.26Å; A196-H200 PolarHBondContact O-N 2.95Å; I197-H200 WeakPolarHBondContact O-CB 3.27Å; I197-H200 PolarHBondContact O-N 2.87Å; R198-H200 PolarHBondContact O-N 3.19Å
201I60.7Low64.1Low90 Ų9077.1 Ų77.146%0.46240%0.404SS..Hα-helixtrans-82.6-33.5-176.8-65169.2000112.6I197 R198 S204 A205I197-I201 HydrophobicContact CG2-CD1 3.59Å; I197-I201 HydrophobicContact CG2-CG1 4.44Å; I197-I201 WeakPolarHBondContact O-CG1 3.36Å; I197-I201 PolarHBondContact O-N 3.06Å; R198-I201 PolarHBondContact O-N 3.47Å; R198-I201 VanDerWaalsContact O-N 3.13Å; I201-S204 PolarHBondContact O-N 3.23Å; I201-S204 PolarHBondContact O-OG 2.61Å; I201-A205 PolarHBondContact O-N 2.68Å
202Y57.2Low63.9Low79 Ų7979.9 Ų79.931%0.3142%0.419SS..Hα-helixtrans-65.6-41.9-176.8-95.5-100.9000115R198 S204 M206R198-Y202 HydrophobicContact CG-CD2 3.51Å; R198-Y202 HydrophobicContact CG-CE2 3.57Å; R198-Y202 PolarHBondContact NH2-OH 3.47Å; R198-Y202 WeakPolarHBondContact O-CD2 3.47Å; R198-Y202 PolarHBondContact O-N 2.58Å; Y202-S204 PolarHBondContact O-N 3.38Å; Y202-M206 HydrophobicContact CD1-CG 4.05Å; Y202-M206 WeakPolarHBondContact O-CB 3.29Å; Y202-M206 VanDerWaalsContact O-CG 3.25Å; Y202-M206 WeakPolarHBondContact O-CG 3.11Å; Y202-M206 PolarHBondContact O-N 3.26Å
203P57.9Low63.5Low83 Ų8373.2 Ų73.254%0.53939%0.394SS..Hα-helixtrans-57.6-37.1176-23.632.6000112.1Q199 A207Q199-P203 WeakPolarHBondContact O-CD 3.46Å; Q199-P203 VanDerWaalsContact O-CG 3.29Å; Q199-P203 WeakPolarHBondContact O-CG 3.42Å; P203-A207 WeakPolarHBondContact O-CB 3.2Å; P203-A207 PolarHBondContact O-N 2.97Å
204S56.7Low63Low70 Ų7073.7 Ų73.749%0.4939%0.389SS..Hα-helixtrans-79.1-46-178.656.80000112.9I201 Y202 M206 A207 L208I201-S204 PolarHBondContact O-N 3.23Å; I201-S204 PolarHBondContact O-OG 2.61Å; Y202-S204 PolarHBondContact O-N 3.38Å; S204-M206 VanDerWaalsContact C-N 3.34Å; S204-M206 PolarHBondContact O-N 2.87Å; S204-A207 PolarHBondContact O-N 3.29Å; S204-L208 WeakPolarHBondContact O-CB 3.42Å; S204-L208 PolarHBondContact O-N 2.87Å
205A55.5Low62.7Low49 Ų4974.3 Ų74.341%0.40540%0.399SS..Hα-helixtrans-65.1-37.7176.900000112.3I201 L208 L209I201-A205 PolarHBondContact O-N 2.68Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 PolarHBondContact O-N 3.41Å; A205-L209 PolarHBondContact O-N 3.38Å
206M56.8Low62.4Low27 Ų2776 Ų7613%0.13341%0.408CS..Hα-helixtrans-77.8-32.2177.3-65-62.2-68.900112.6Y202 S204 L208 L209 Y210 W239Y202-M206 HydrophobicContact CD1-CG 4.05Å; Y202-M206 WeakPolarHBondContact O-CB 3.29Å; Y202-M206 VanDerWaalsContact O-CG 3.25Å; Y202-M206 WeakPolarHBondContact O-CG 3.11Å; Y202-M206 PolarHBondContact O-N 3.26Å; S204-M206 VanDerWaalsContact C-N 3.34Å; S204-M206 PolarHBondContact O-N 2.87Å; M206-L208 PolarHBondContact O-N 3.29Å; M206-L209 PolarHBondContact O-N 3.23Å; M206-L209 HydrophobicContact SD-CD1 3.77Å; M206-Y210 VanDerWaalsContact O-CB 3.24Å; M206-Y210 WeakPolarHBondContact O-CB 3.13Å; M206-Y210 PolarHBondContact O-N 3.41Å; M206-W239 HydrophobicContact CB-CH2 4.29Å; M206-W239 HydrophobicContact CB-CZ2 4.06Å; M206-W239 HydrophobicContact CE-CZ2 4.45Å
207A59.7Low62Low43 Ų4375.2 Ų75.236%0.35540%0.399SS..Hα-helixtrans-60.5-37.2167.200000110.9P203 S204 Y210 I211P203-A207 WeakPolarHBondContact O-CB 3.2Å; P203-A207 PolarHBondContact O-N 2.97Å; S204-A207 PolarHBondContact O-N 3.29Å; A207-Y210 PolarHBondContact O-N 3.24Å; A207-I211 WeakPolarHBondContact O-CB 3.24Å; A207-I211 WeakPolarHBondContact O-CD1 3.08Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.5Å
208L62.7Low61.4Low109 Ų10975.2 Ų75.257%0.57141%0.405SS*.Hα-helixtrans-68.4-44.2177-148.1130.5000111.8S204 A205 M206 Y210 I211 I212S204-L208 WeakPolarHBondContact O-CB 3.42Å; S204-L208 PolarHBondContact O-N 2.87Å; A205-L208 WeakPolarHBondContact O-CB 3.38Å; A205-L208 PolarHBondContact O-N 3.41Å; M206-L208 PolarHBondContact O-N 3.29Å; L208-Y210 VanDerWaalsContact C-N 3.31Å; L208-Y210 PolarHBondContact O-N 2.92Å; L208-I211 PolarHBondContact O-N 3.33Å; L208-I212 HydrophobicContact CD2-CD1 3.88Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 2.65Å
209L63.7Low61.2Low84 Ų8478.8 Ų78.844%0.4443%0.426SS..Hα-helixtrans-59.9-39170.2-93151.4000112.4A205 M206 I212 F213A205-L209 PolarHBondContact O-N 3.38Å; M206-L209 PolarHBondContact O-N 3.23Å; M206-L209 HydrophobicContact SD-CD1 3.77Å; L209-I212 PolarHBondContact O-N 3.46Å; L209-F213 WeakPolarHBondContact O-CB 3.29Å; L209-F213 PolarHBondContact O-N 2.89Å
210Y58.5Low61Low31 Ų3173.2 Ų73.212%0.12240%0.401CS..Hα-helixtrans-67.4-41176-177.3-104000112M206 A207 L208 F213 L214 W233M206-Y210 VanDerWaalsContact O-CB 3.24Å; M206-Y210 WeakPolarHBondContact O-CB 3.13Å; M206-Y210 PolarHBondContact O-N 3.41Å; A207-Y210 PolarHBondContact O-N 3.24Å; L208-Y210 VanDerWaalsContact C-N 3.31Å; L208-Y210 PolarHBondContact O-N 2.92Å; Y210-F213 PolarHBondContact O-N 3.25Å; Y210-L214 HydrophobicContact CD1-CD1 3.76Å; Y210-L214 HydrophobicContact CD1-CG 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.3Å; Y210-L214 HydrophobicContact CE1-CG 3.93Å; Y210-L214 WeakPolarHBondContact O-CB 3.28Å; Y210-L214 WeakPolarHBondContact O-CG 3.26Å; Y210-L214 PolarHBondContact O-N 3.5Å; Y210-W233 HydrophobicContact CD2-CH2 4.14Å; Y210-W233 AromaticContact CD2-CZ3 3.86Å; Y210-W233 HydrophobicContact CD2-CZ3 3.86Å; Y210-W233 HydrophobicContact CE2-CZ3 4.39Å
211I64.5Low61Low92 Ų9274.4 Ų74.447%0.47241%0.407SS..Hα-helixtrans-62.9-46.1173.1-70.3161.5000109.9A207 L208 F213 L214 L215A207-I211 WeakPolarHBondContact O-CB 3.24Å; A207-I211 WeakPolarHBondContact O-CD1 3.08Å; A207-I211 WeakPolarHBondContact O-CG1 3.47Å; A207-I211 PolarHBondContact O-N 3.5Å; L208-I211 PolarHBondContact O-N 3.33Å; I211-F213 VanDerWaalsContact C-N 3.3Å; I211-F213 PolarHBondContact O-N 2.88Å; I211-L214 PolarHBondContact O-N 3.38Å; I211-L215 HydrophobicContact CG2-CD1 3.96Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 WeakPolarHBondContact O-CB 3.36Å; I211-L215 VanDerWaalsContact O-CG 3.24Å; I211-L215 WeakPolarHBondContact O-CG 3.36Å; I211-L215 PolarHBondContact O-N 2.8Å
212I66.6Low61.4Low79 Ų7973.5 Ų73.541%0.40540%0.403SS..Hα-helixtrans-58.5-44.3175.1-68.8165000110.3L208 L209 L215 L216L208-I212 HydrophobicContact CD2-CD1 3.88Å; L208-I212 VanDerWaalsContact O-CG1 3.26Å; L208-I212 WeakPolarHBondContact O-CG1 3.37Å; L208-I212 PolarHBondContact O-N 2.65Å; L209-I212 PolarHBondContact O-N 3.46Å; I212-L215 PolarHBondContact O-N 2.92Å; I212-L216 HydrophobicContact CG2-CD1 3.82Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CB 3.31Å; I212-L216 VanDerWaalsContact O-CG 3.28Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 3.01Å
213F62.8Low61.6Low20 Ų2076.5 Ų76.59%0.08842%0.418CS..Hα-helixtrans-62.1-46.6176.3-172.4-99.5000111.7L209 Y210 I211 L215 L216 V217 L229 F246L209-F213 WeakPolarHBondContact O-CB 3.29Å; L209-F213 PolarHBondContact O-N 2.89Å; Y210-F213 PolarHBondContact O-N 3.25Å; I211-F213 VanDerWaalsContact C-N 3.3Å; I211-F213 PolarHBondContact O-N 2.88Å; F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 PolarHBondContact O-N 3.38Å; F213-L216 PolarHBondContact O-N 3.25Å; F213-V217 HydrophobicContact CD1-CG2 3.83Å; F213-V217 HydrophobicContact CE1-CG2 3.59Å; F213-V217 HydrophobicContact CZ-CG2 4.09Å; F213-V217 VanDerWaalsContact O-CG2 3.24Å; F213-V217 WeakPolarHBondContact O-CG2 3.49Å; F213-V217 PolarHBondContact O-N 3.23Å; F213-L229 HydrophobicContact CE2-CD1 4.22Å; F213-L229 HydrophobicContact CZ-CB 4.34Å; F213-L229 HydrophobicContact CZ-CD1 4.37Å; F213-F246 HydrophobicContact CE1-CE2 4.01Å
214L62.7Low61.9Low60 Ų6080 Ų8031%0.31443%0.427SS..Hα-helixtrans-61.3-31.8175-75.5178.9000113.1Y210 I211 P218Y210-L214 HydrophobicContact CD1-CD1 3.76Å; Y210-L214 HydrophobicContact CD1-CG 4.25Å; Y210-L214 HydrophobicContact CE1-CD1 3.3Å; Y210-L214 HydrophobicContact CE1-CG 3.93Å; Y210-L214 WeakPolarHBondContact O-CB 3.28Å; Y210-L214 WeakPolarHBondContact O-CG 3.26Å; Y210-L214 PolarHBondContact O-N 3.5Å; I211-L214 PolarHBondContact O-N 3.38Å; L214-P218 WeakPolarHBondContact O-CD 3.46Å
215L66.1Low62.3Low119 Ų11977.8 Ų77.862%0.62341%0.409SS*.Hα-helixtrans-75.6-27.4174-69.5173.5000112.6I211 I212 F213 P218I211-L215 HydrophobicContact CG2-CD1 3.96Å; I211-L215 HydrophobicContact CG2-CG 4.34Å; I211-L215 WeakPolarHBondContact O-CB 3.36Å; I211-L215 VanDerWaalsContact O-CG 3.24Å; I211-L215 WeakPolarHBondContact O-CG 3.36Å; I211-L215 PolarHBondContact O-N 2.8Å; I212-L215 PolarHBondContact O-N 2.92Å; F213-L215 VanDerWaalsContact C-N 3.25Å; F213-L215 PolarHBondContact O-N 3.38Å; L215-P218 WeakPolarHBondContact O-CD 3.29Å
216L64.1Low62.6Low77 Ų7776.6 Ų76.640%0.40340%0.396SS..Hα-helixtrans-85-28.3177.1-71.5171.1000113.1I212 F213 P218 L219 I220I212-L216 HydrophobicContact CG2-CD1 3.82Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CB 3.31Å; I212-L216 VanDerWaalsContact O-CG 3.28Å; I212-L216 WeakPolarHBondContact O-CG 3.46Å; I212-L216 PolarHBondContact O-N 3.01Å; F213-L216 PolarHBondContact O-N 3.25Å; L216-P218 VanDerWaalsContact C-CD 3.47Å; L216-P218 VanDerWaalsContact C-N 3.33Å; L216-L219 WeakPolarHBondContact O-CA 3.35Å; L216-L219 WeakPolarHBondContact O-CB 3.21Å; L216-L219 PolarHBondContact O-N 3.43Å; L216-I220 PolarHBondContact O-N 2.84Å
217V64.3Low62.8Low31 Ų3180.7 Ų80.719%0.18842%0.418CS..G310 helixtrans-52-42.5178.8165.10000113.1F213 L219 I220 L226F213-V217 HydrophobicContact CD1-CG2 3.83Å; F213-V217 HydrophobicContact CE1-CG2 3.59Å; F213-V217 HydrophobicContact CZ-CG2 4.09Å; F213-V217 VanDerWaalsContact O-CG2 3.24Å; F213-V217 WeakPolarHBondContact O-CG2 3.49Å; F213-V217 PolarHBondContact O-N 3.23Å; V217-L219 VanDerWaalsContact C-N 3.27Å; V217-L219 PolarHBondContact O-N 3.4Å; V217-I220 PolarHBondContact O-N 2.93Å; V217-L226 HydrophobicContact CB-CD2 4.22Å; V217-L226 HydrophobicContact CG1-CD1 4.12Å; V217-L226 HydrophobicContact CG1-CD2 3.96Å; V217-L226 HydrophobicContact CG2-CD2 3.84Å
218P57.4Low63.1Low106 Ų10680.8 Ų80.869%0.68842%0.416SS*.G310 helixtrans-65.1-24.9174.5-20.831.3000114.6L214 L215 L216L214-P218 WeakPolarHBondContact O-CD 3.46Å; L215-P218 WeakPolarHBondContact O-CD 3.29Å; L216-P218 VanDerWaalsContact C-CD 3.47Å; L216-P218 VanDerWaalsContact C-N 3.33Å
219L61.3Low63.1Low112 Ų11276.1 Ų76.159%0.58639%0.391SS*.G310 helixtrans-77.1-24.2176.1-89.7107.8000112.4L216 V217 Q221L216-L219 WeakPolarHBondContact O-CA 3.35Å; L216-L219 WeakPolarHBondContact O-CB 3.21Å; L216-L219 PolarHBondContact O-N 3.43Å; V217-L219 VanDerWaalsContact C-N 3.27Å; V217-L219 PolarHBondContact O-N 3.4Å; L219-Q221 PolarHBondContact O-N 3.33Å
220I60.5Low62.9Low19 Ų1972.7 Ų72.710%0.09738%0.375CS..  trans-85.4101.3-179-59.1170.9000108.3L216 V217 D222 L225 L226L216-I220 PolarHBondContact O-N 2.84Å; V217-I220 PolarHBondContact O-N 2.93Å; I220-D222 PolarHBondContact O-N 3.03Å; I220-L225 HydrophobicContact CG2-CB 4.42Å; I220-L225 HydrophobicContact CG2-CD2 3.95Å; I220-L226 HydrophobicContact CB-CD2 4.17Å; I220-L226 HydrophobicContact CB-CG 4.35Å; I220-L226 HydrophobicContact CD1-CD2 4.09Å; I220-L226 HydrophobicContact CG2-CD2 4.21Å; I220-L226 HydrophobicContact CG2-CG 4.01Å
221Q62.6Low63Low182 Ų18276 Ų7685%0.8539%0.394SS*.  trans-71.3-20.3177.8-68.5-171.4-15.700112.9L219 K223L219-Q221 PolarHBondContact O-N 3.33Å; Q221-K223 PolarHBondContact O-N 3.41Å
222D68.4Low62.8Low72 Ų7278.2 Ų78.239%0.38540%0.4SS..  trans-82.8105.3-178.6-169.1-16.3000112.8I220 H224 L225 L226I220-D222 PolarHBondContact O-N 3.03Å; D222-H224 VanDerWaalsContact C-N 3.33Å; D222-H224 PolarHBondContact O-N 2.93Å; D222-H224 WeakPolarHBondContact OD1-CB 3.48Å; D222-H224 PolarHBondContact OD1-N 2.81Å; D222-L225 HydrophobicContact CB-CB 4.01Å; D222-L225 PolarHBondContact O-N 3.46Å; D222-L225 PolarHBondContact OD1-N 2.93Å; D222-L226 PolarHBondContact O-N 3Å
223K61.2Low62.3Low142 Ų14277.9 Ų77.962%0.61739%0.394SS*.Hα-helixtrans-63.3-32.6177.1-64-178.3179.8-178.30113.5Q221 L227 M254Q221-K223 PolarHBondContact O-N 3.41Å; K223-L227 PolarHBondContact O-N 3.42Å; K223-L227 VanDerWaalsContact O-N 3.15Å; K223-M254 HydrophobicContact CD-CE 4.41Å; K223-M254 HydrophobicContact CG-CE 4.38Å
224H63.7Low61.8Low157 Ų15779.9 Ų79.973%0.72741%0.406SS*.Hα-helixtrans-71.2-38.6179.3-77.2-76.4000111D222 L227 S228D222-H224 VanDerWaalsContact C-N 3.33Å; D222-H224 PolarHBondContact O-N 2.93Å; D222-H224 WeakPolarHBondContact OD1-CB 3.48Å; D222-H224 PolarHBondContact OD1-N 2.81Å; H224-L227 PolarHBondContact O-N 3.43Å; H224-S228 WeakPolarHBondContact O-CB 3.49Å; H224-S228 PolarHBondContact O-N 3.47Å
225L65.2Low61.3Low22 Ų2283.5 Ų83.512%0.11543%0.425CS..Hα-helixtrans-59.4-51.5173.6-170.367.1000109.9E128 I220 D222 L227 S228 L229E128-L225 HydrophobicContact CB-CD2 4.31Å; E128-L225 HydrophobicContact CG-CD2 3.99Å; I220-L225 HydrophobicContact CG2-CB 4.42Å; I220-L225 HydrophobicContact CG2-CD2 3.95Å; D222-L225 HydrophobicContact CB-CB 4.01Å; D222-L225 PolarHBondContact O-N 3.46Å; D222-L225 PolarHBondContact OD1-N 2.93Å; L225-L227 PolarHBondContact O-N 3.36Å; L225-S228 PolarHBondContact O-N 2.8Å; L225-S228 VanDerWaalsContact O-N 3.15Å; L225-S228 PolarHBondContact O-OG 3.29Å; L225-L229 HydrophobicContact CG-CD1 4.19Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.44Å
226L61.3Low60.7Low25 Ų2580.8 Ų80.813%0.13141%0.409CS..Hα-helixtrans-54.6-45.9178.7-72.9173.9000113.3V217 I220 D222 L229 A230V217-L226 HydrophobicContact CB-CD2 4.22Å; V217-L226 HydrophobicContact CG1-CD1 4.12Å; V217-L226 HydrophobicContact CG1-CD2 3.96Å; V217-L226 HydrophobicContact CG2-CD2 3.84Å; I220-L226 HydrophobicContact CB-CD2 4.17Å; I220-L226 HydrophobicContact CB-CG 4.35Å; I220-L226 HydrophobicContact CD1-CD2 4.09Å; I220-L226 HydrophobicContact CG2-CD2 4.21Å; I220-L226 HydrophobicContact CG2-CG 4.01Å; D222-L226 PolarHBondContact O-N 3Å; L226-L229 PolarHBondContact O-N 2.74Å; L226-A230 WeakPolarHBondContact O-CB 3.31Å; L226-A230 PolarHBondContact O-N 2.88Å
227L62.6Low60Low113 Ų11388.2 Ų88.259%0.59243%0.433SS*.Hα-helixtrans-65.1-42.8179-159.988000111.7K223 H224 L225 L229 A230 L231K223-L227 PolarHBondContact O-N 3.42Å; K223-L227 VanDerWaalsContact O-N 3.15Å; H224-L227 PolarHBondContact O-N 3.43Å; L225-L227 PolarHBondContact O-N 3.36Å; L227-L229 VanDerWaalsContact C-N 3.25Å; L227-L229 PolarHBondContact O-N 2.89Å; L227-A230 PolarHBondContact O-N 3.25Å; L227-L231 HydrophobicContact CD2-CD1 4.27Å; L227-L231 HydrophobicContact CG-CD1 4.27Å; L227-L231 WeakPolarHBondContact O-CB 3.42Å; L227-L231 WeakPolarHBondContact O-CG 3.49Å; L227-L231 PolarHBondContact O-N 3.49Å
228S66Low59.1Low45 Ų4595.7 Ų95.732%0.31546%0.46SS..Hα-helixtrans-62.4-34.4177.380.30000112.4H224 L225 K232H224-S228 WeakPolarHBondContact O-CB 3.49Å; H224-S228 PolarHBondContact O-N 3.47Å; L225-S228 PolarHBondContact O-N 2.8Å; L225-S228 VanDerWaalsContact O-N 3.15Å; L225-S228 PolarHBondContact O-OG 3.29Å; S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 3.36Å; S228-K232 VanDerWaalsContact O-N 3.1Å
229L61.2Low58.9Low11 Ų1193.8 Ų93.86%0.05844%0.439CS..Hα-helixtrans-70.6-48176.3-66.2179.5000111.4F131 F213 L225 L226 L227 L231 K232 W233F131-L229 HydrophobicContact CD1-CD1 4.38Å; F131-L229 HydrophobicContact CD1-CD2 4.39Å; F131-L229 HydrophobicContact CE1-CD1 3.79Å; F131-L229 HydrophobicContact CE1-CD2 3.27Å; F131-L229 HydrophobicContact CE1-CG 4.13Å; F131-L229 HydrophobicContact CE2-CD1 3.92Å; F131-L229 HydrophobicContact CE2-CD2 4.44Å; F131-L229 HydrophobicContact CZ-CD1 3.5Å; F131-L229 HydrophobicContact CZ-CD2 3.29Å; F131-L229 HydrophobicContact CZ-CG 4Å; F213-L229 HydrophobicContact CE2-CD1 4.22Å; F213-L229 HydrophobicContact CZ-CB 4.34Å; F213-L229 HydrophobicContact CZ-CD1 4.37Å; L225-L229 HydrophobicContact CG-CD1 4.19Å; L225-L229 HydrophobicContact CG-CG 4.5Å; L225-L229 VanDerWaalsContact O-CG 3.25Å; L225-L229 WeakPolarHBondContact O-CG 3.44Å; L225-L229 PolarHBondContact O-N 3.44Å; L226-L229 PolarHBondContact O-N 2.74Å; L227-L229 VanDerWaalsContact C-N 3.25Å; L227-L229 PolarHBondContact O-N 2.89Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.34Å; L229-K232 PolarHBondContact O-N 3.46Å; L229-W233 WeakPolarHBondContact O-CB 3.26Å; L229-W233 PolarHBondContact O-N 2.89Å
230A61Low58.4Low11 Ų1191.6 Ų91.69%0.09143%0.433CS..Hα-helixtrans-57.6-43.9176.900000112.1L226 L227 W233 N234 F246L226-A230 WeakPolarHBondContact O-CB 3.31Å; L226-A230 PolarHBondContact O-N 2.88Å; L227-A230 PolarHBondContact O-N 3.25Å; A230-W233 PolarHBondContact O-N 2.74Å; A230-N234 PolarHBondContact O-N 2.83Å; A230-N234 VanDerWaalsContact O-N 3.08Å; A230-F246 HydrophobicContact CB-CD1 4.22Å; A230-F246 HydrophobicContact CB-CE1 3.33Å; A230-F246 HydrophobicContact CB-CZ 3.85Å
231L59.7Low57.6Low101 Ų10198.6 Ų98.653%0.52947%0.465SS..Hα-helixtrans-66.6-44.6178.7-71.9170.5000112.1L227 L229 W233 N234L227-L231 HydrophobicContact CD2-CD1 4.27Å; L227-L231 HydrophobicContact CG-CD1 4.27Å; L227-L231 WeakPolarHBondContact O-CB 3.42Å; L227-L231 WeakPolarHBondContact O-CG 3.49Å; L227-L231 PolarHBondContact O-N 3.49Å; L229-L231 VanDerWaalsContact C-N 3.31Å; L229-L231 PolarHBondContact O-N 3.34Å; L231-W233 VanDerWaalsContact C-N 3.27Å; L231-W233 PolarHBondContact O-N 2.67Å; L231-N234 PolarHBondContact O-N 3.26Å
232K60.7Low56.8Low138 Ų13891.3 Ų91.360%0.644%0.435SS*.Hα-helixtrans-64.9-30.2175-80.9-178.3177.1178.80113S228 L229S228-K232 WeakPolarHBondContact O-CB 3.31Å; S228-K232 PolarHBondContact O-N 3.36Å; S228-K232 VanDerWaalsContact O-N 3.1Å; L229-K232 PolarHBondContact O-N 3.46Å
233W55.3Low55.9Low72 Ų7290.2 Ų90.227%0.27343%0.428SS..Hα-helixtrans-72.7-33.5176.1-114.347.8000113Y210 L229 A230 L231 D235 H236 W239Y210-W233 HydrophobicContact CD2-CH2 4.14Å; Y210-W233 AromaticContact CD2-CZ3 3.86Å; Y210-W233 HydrophobicContact CD2-CZ3 3.86Å; Y210-W233 HydrophobicContact CE2-CZ3 4.39Å; L229-W233 WeakPolarHBondContact O-CB 3.26Å; L229-W233 PolarHBondContact O-N 2.89Å; A230-W233 PolarHBondContact O-N 2.74Å; L231-W233 VanDerWaalsContact C-N 3.27Å; L231-W233 PolarHBondContact O-N 2.67Å; W233-D235 VanDerWaalsContact C-N 3.32Å; W233-D235 PolarHBondContact O-N 3.38Å; W233-H236 PolarHBondContact O-N 2.78Å; W233-W239 HydrophobicContact CZ3-CE3 4.43Å
234N52.2Low55.4Low63 Ų6386.8 Ų86.834%0.33742%0.421SS..Hα-helixtrans-68.1-23.3-174.8-171.439.8000114.6A230 L231 H236 F243A230-N234 PolarHBondContact O-N 2.83Å; A230-N234 VanDerWaalsContact O-N 3.08Å; L231-N234 PolarHBondContact O-N 3.26Å; N234-H236 PolarHBondContact O-N 3.12Å; N234-F243 HydrophobicContact CB-CD2 3.7Å; N234-F243 HydrophobicContact CB-CE1 4.46Å; N234-F243 HydrophobicContact CB-CE2 3.59Å; N234-F243 HydrophobicContact CB-CG 4.2Å; N234-F243 HydrophobicContact CB-CZ 3.99Å; N234-F243 WeakPolarHBondContact OD1-CD1 3.45Å; N234-F243 WeakPolarHBondContact OD1-CG 3.33Å
235D52.2Low54.6Low136 Ų13685.6 Ų85.673%0.72741%0.414SS*.THydrogen-bonded Turntrans-65.1-7.8179.2-80.6-16.8000113.5W233 Y237W233-D235 VanDerWaalsContact C-N 3.32Å; W233-D235 PolarHBondContact O-N 3.38Å; D235-Y237 PolarHBondContact O-N 3.04Å
236H55.1Low53.8Low62 Ų6285.8 Ų85.829%0.28741%0.414SS..SBendtrans-91.2103.5178.4-71.6-73.7000112.2M143 W233 N234 Y238 W239M143-H236 HydrophobicContact CE-CB 4.29Å; M143-H236 WeakPolarHBondContact CE-CE1 3.44Å; M143-H236 VanDerWaalsContact CE-ND1 3.27Å; M143-H236 WeakPolarHBondContact CE-ND1 3.35Å; W233-H236 PolarHBondContact O-N 2.78Å; N234-H236 PolarHBondContact O-N 3.12Å; H236-Y238 PolarHBondContact O-N 3.49Å; H236-W239 PolarHBondContact O-N 2.89Å; H236-W239 VanDerWaalsContact O-N 3.16Å
237Y49.1Very low53.4Low232 Ų23288.1 Ų88.191%0.9143%0.429SS*.THydrogen-bonded Turntrans-42.1-18.5-176.8-107.6-95000118.2D235 W239D235-Y237 PolarHBondContact O-N 3.04Å; Y237-W239 VanDerWaalsContact C-N 3.31Å; Y237-W239 PolarHBondContact O-N 2.74Å
238Y45.2Very low52.8Low188 Ų18891.8 Ų91.874%0.73744%0.437SS*.THydrogen-bonded Turntrans-82.2-2.9-179.9-97.7-89.1000114.7H236H236-Y238 PolarHBondContact O-N 3.49Å
239W52.6Low51.8Low67 Ų6792.7 Ų92.725%0.25444%0.438SS..  trans-118.618.2-165.2-70.982.6000115.7M206 W233 H236 Y237 H241 A242 F243M206-W239 HydrophobicContact CB-CH2 4.29Å; M206-W239 HydrophobicContact CB-CZ2 4.06Å; M206-W239 HydrophobicContact CE-CZ2 4.45Å; W233-W239 HydrophobicContact CZ3-CE3 4.43Å; H236-W239 PolarHBondContact O-N 2.89Å; H236-W239 VanDerWaalsContact O-N 3.16Å; Y237-W239 VanDerWaalsContact C-N 3.31Å; Y237-W239 PolarHBondContact O-N 2.74Å; W239-H241 PolarHBondContact O-N 3.28Å; W239-H241 VanDerWaalsContact O-N 3.1Å; W239-A242 HydrophobicContact CD2-CB 4.25Å; W239-A242 HydrophobicContact CE3-CB 3.17Å; W239-A242 HydrophobicContact CZ3-CB 3.47Å; W239-A242 VanDerWaalsContact CZ3-CB 3.47Å; W239-A242 PolarHBondContact O-N 3.5Å; W239-F243 VanDerWaalsContact O-CB 3.27Å; W239-F243 WeakPolarHBondContact O-CB 3.5Å; W239-F243 PolarHBondContact O-N 2.98Å
240S49.9Very low51.1Low66 Ų6694.1 Ų94.146%0.46245%0.448SS..Hα-helixtrans-50-40.8177174.70000113.4S244S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.21Å; S240-S244 VanDerWaalsContact O-N 3.15Å; S240-S244 PolarHBondContact O-OG 2.93Å
241H43.6Very low50.3Low166 Ų16695.4 Ų95.477%0.76946%0.463SS*.Hα-helixtrans-77.8-41-177.8-73.7-67000112.9W239 S244 F245W239-H241 PolarHBondContact O-N 3.28Å; W239-H241 VanDerWaalsContact O-N 3.1Å; H241-S244 PolarHBondContact O-N 2.99Å; H241-F245 WeakPolarHBondContact O-CB 3.35Å; H241-F245 PolarHBondContact O-N 3.3Å
242A46.3Very low49.5Very low28 Ų2894.5 Ų94.523%0.23147%0.469CS..Hα-helixtrans-80.3-27.2-178.800000113W239 F245 F246W239-A242 HydrophobicContact CD2-CB 4.25Å; W239-A242 HydrophobicContact CE3-CB 3.17Å; W239-A242 HydrophobicContact CZ3-CB 3.47Å; W239-A242 VanDerWaalsContact CZ3-CB 3.47Å; W239-A242 PolarHBondContact O-N 3.5Å; A242-F245 PolarHBondContact O-N 3.05Å; A242-F246 VanDerWaalsContact O-CB 3.29Å; A242-F246 WeakPolarHBondContact O-CB 3.43Å; A242-F246 PolarHBondContact O-N 3.3Å
243F50.1Low48.7Very low50 Ų5096.7 Ų96.722%0.21948%0.479CS..Hα-helixtrans-68.6-42.8165.5-177.1-100.3000111.1N234 W239 F245 F246 V247N234-F243 HydrophobicContact CB-CD2 3.7Å; N234-F243 HydrophobicContact CB-CE1 4.46Å; N234-F243 HydrophobicContact CB-CE2 3.59Å; N234-F243 HydrophobicContact CB-CG 4.2Å; N234-F243 HydrophobicContact CB-CZ 3.99Å; N234-F243 WeakPolarHBondContact OD1-CD1 3.45Å; N234-F243 WeakPolarHBondContact OD1-CG 3.33Å; W239-F243 VanDerWaalsContact O-CB 3.27Å; W239-F243 WeakPolarHBondContact O-CB 3.5Å; W239-F243 PolarHBondContact O-N 2.98Å; F243-F245 VanDerWaalsContact C-N 3.26Å; F243-F245 PolarHBondContact O-N 3.15Å; F243-F246 PolarHBondContact O-N 3.01Å; F243-V247 HydrophobicContact CD1-CG2 3.89Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 3.44Å; F243-V247 VanDerWaalsContact CE1-CG2 3.44Å; F243-V247 HydrophobicContact CE2-CG2 4.1Å; F243-V247 HydrophobicContact CG-CG2 4.41Å; F243-V247 HydrophobicContact CZ-CG2 3.57Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 2.99Å
244S50.5Low48.1Very low69 Ų6996.6 Ų96.648%0.48348%0.483SS..Hα-helixtrans-58.1-40.8171.4-81.20000111.6S240 H241 V247 Y248S240-S244 WeakPolarHBondContact O-CB 3.33Å; S240-S244 PolarHBondContact O-N 3.21Å; S240-S244 VanDerWaalsContact O-N 3.15Å; S240-S244 PolarHBondContact O-OG 2.93Å; H241-S244 PolarHBondContact O-N 2.99Å; S244-V247 PolarHBondContact O-N 3.47Å; S244-Y248 WeakPolarHBondContact O-CB 3.29Å; S244-Y248 PolarHBondContact O-N 2.97Å
245F46.2Very low47.6Very low133 Ų133101.2 Ų101.258%0.58351%0.507SS*.Hα-helixtrans-68.1-38.5175.9-148.8-100.7000112.4H241 A242 F243 Y248 L249H241-F245 WeakPolarHBondContact O-CB 3.35Å; H241-F245 PolarHBondContact O-N 3.3Å; A242-F245 PolarHBondContact O-N 3.05Å; F243-F245 VanDerWaalsContact C-N 3.26Å; F243-F245 PolarHBondContact O-N 3.15Å; F245-Y248 CarbonylContact O-C 3.59Å; F245-Y248 WeakPolarHBondContact O-CB 3.48Å; F245-Y248 PolarHBondContact O-N 3.26Å; F245-L249 HydrophobicContact CD1-CD1 3.4Å; F245-L249 VanDerWaalsContact CD1-CD1 3.4Å; F245-L249 HydrophobicContact CE1-CD1 3.36Å; F245-L249 HydrophobicContact CG-CD1 4.47Å; F245-L249 HydrophobicContact CZ-CD1 4.39Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.44Å
246F49.2Very low46.7Very low25 Ų2599 Ų9911%0.1150%0.495CS..Hα-helixtrans-64.2-44.2172.9178.6-91.2000112.3F213 A230 A242 F243 Y248 L249 C250F213-F246 HydrophobicContact CE1-CE2 4.01Å; A230-F246 HydrophobicContact CB-CD1 4.22Å; A230-F246 HydrophobicContact CB-CE1 3.33Å; A230-F246 HydrophobicContact CB-CZ 3.85Å; A242-F246 VanDerWaalsContact O-CB 3.29Å; A242-F246 WeakPolarHBondContact O-CB 3.43Å; A242-F246 PolarHBondContact O-N 3.3Å; F243-F246 PolarHBondContact O-N 3.01Å; F246-Y248 VanDerWaalsContact C-N 3.26Å; F246-Y248 PolarHBondContact O-N 2.83Å; F246-L249 PolarHBondContact O-N 2.97Å; F246-C250 VanDerWaalsContact CE1-SG 3.51Å; F246-C250 WeakPolarHBondContact CZ-SG 3.35Å; F246-C250 VanDerWaalsContact O-CB 3.26Å; F246-C250 WeakPolarHBondContact O-CB 3.26Å; F246-C250 PolarHBondContact O-N 3.05Å; F246-C250 PolarHBondContact O-SG 3.35Å
247V52.7Low45.9Very low75 Ų75102.6 Ų102.646%0.45552%0.521SS..Hα-helixtrans-63.3-36.3172.6172.50000110.5F243 S244 G251F243-V247 HydrophobicContact CD1-CG2 3.89Å; F243-V247 HydrophobicContact CD2-CG2 4.49Å; F243-V247 HydrophobicContact CE1-CG2 3.44Å; F243-V247 VanDerWaalsContact CE1-CG2 3.44Å; F243-V247 HydrophobicContact CE2-CG2 4.1Å; F243-V247 HydrophobicContact CG-CG2 4.41Å; F243-V247 HydrophobicContact CZ-CG2 3.57Å; F243-V247 WeakPolarHBondContact O-CG2 3.48Å; F243-V247 PolarHBondContact O-N 2.99Å; S244-V247 PolarHBondContact O-N 3.47Å; V247-G251 WeakPolarHBondContact O-CA 3.46Å; V247-G251 PolarHBondContact O-N 3.32Å
248Y50.7Low45.5Very low190 Ų19095.3 Ų95.375%0.74551%0.509SS*.Hα-helixtrans-67.1-42.7175.1-137.9-89.2000112.1S244 F245 F246 G251 A252S244-Y248 WeakPolarHBondContact O-CB 3.29Å; S244-Y248 PolarHBondContact O-N 2.97Å; F245-Y248 CarbonylContact O-C 3.59Å; F245-Y248 WeakPolarHBondContact O-CB 3.48Å; F245-Y248 PolarHBondContact O-N 3.26Å; F246-Y248 VanDerWaalsContact C-N 3.26Å; F246-Y248 PolarHBondContact O-N 2.83Å; Y248-G251 CarbonylContact O-C 3.58Å; Y248-G251 PolarHBondContact O-N 3.38Å; Y248-A252 WeakPolarHBondContact O-CB 3.48Å; Y248-A252 PolarHBondContact O-N 3.17Å
249L45.4Very low45Very low64 Ų6494.4 Ų94.434%0.33551%0.51SS..Hα-helixtrans-72.7-43.7178.5-106.9124.4000112.3F245 F246 G251 A252 F253F245-L249 HydrophobicContact CD1-CD1 3.4Å; F245-L249 VanDerWaalsContact CD1-CD1 3.4Å; F245-L249 HydrophobicContact CE1-CD1 3.36Å; F245-L249 HydrophobicContact CG-CD1 4.47Å; F245-L249 HydrophobicContact CZ-CD1 4.39Å; F245-L249 WeakPolarHBondContact O-CB 3.49Å; F245-L249 PolarHBondContact O-N 3.44Å; F246-L249 PolarHBondContact O-N 2.97Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.48Å; L249-A252 PolarHBondContact O-N 2.86Å; L249-A252 VanDerWaalsContact O-N 3.17Å; L249-F253 WeakPolarHBondContact O-CB 3.37Å; L249-F253 PolarHBondContact O-N 3.14Å
250C46.5Very low44.2Very low41 Ų4196 Ų9628%0.27753%0.526SS..Hα-helixtrans-63.4-36.9171.6-73.50000111F246 A252 F253 M254F246-C250 VanDerWaalsContact CE1-SG 3.51Å; F246-C250 WeakPolarHBondContact CZ-SG 3.35Å; F246-C250 VanDerWaalsContact O-CB 3.26Å; F246-C250 WeakPolarHBondContact O-CB 3.26Å; F246-C250 PolarHBondContact O-N 3.05Å; F246-C250 PolarHBondContact O-SG 3.35Å; C250-A252 VanDerWaalsContact C-N 3.34Å; C250-F253 PolarHBondContact O-N 3.32Å; C250-M254 WeakPolarHBondContact O-CA 3.45Å; C250-M254 WeakPolarHBondContact O-CB 3.23Å; C250-M254 WeakPolarHBondContact O-CG 3.06Å; C250-M254 PolarHBondContact O-N 2.97Å
251G42.2Very low43.5Very low38 Ų3898.2 Ų98.239%0.39254%0.539SS..Hα-helixtrans-74.3-19.5173.200000114.4V247 Y248 L249 M254V247-G251 WeakPolarHBondContact O-CA 3.46Å; V247-G251 PolarHBondContact O-N 3.32Å; Y248-G251 CarbonylContact O-C 3.58Å; Y248-G251 PolarHBondContact O-N 3.38Å; L249-G251 VanDerWaalsContact C-N 3.28Å; L249-G251 PolarHBondContact O-N 3.48Å; G251-M254 CarbonylContact C-O 3.55Å
252A44.1Very low43.2Very low81 Ų8196.2 Ų96.267%0.66953%0.534SS*.Hα-helixtrans-85.2-28.5171.600000112.1Y248 L249 C250Y248-A252 WeakPolarHBondContact O-CB 3.48Å; Y248-A252 PolarHBondContact O-N 3.17Å; L249-A252 PolarHBondContact O-N 2.86Å; L249-A252 VanDerWaalsContact O-N 3.17Å; C250-A252 VanDerWaalsContact C-N 3.34Å
253F43.6Very low42.8Very low185 Ų185101 Ų10181%0.81155%0.554SS**Hα-helixtrans-87.1-28174.2-104.8-88000113.4L249 C250L249-F253 WeakPolarHBondContact O-CB 3.37Å; L249-F253 PolarHBondContact O-N 3.14Å; C250-F253 PolarHBondContact O-N 3.32Å
254M43.1Very low42.1Very low69 Ų69103.6 Ų103.634%0.3458%0.578SS.*THydrogen-bonded Turntrans-104.4109.6174.5-57.8-94.2-167.100106.9K223 C250 G251 L256K223-M254 HydrophobicContact CD-CE 4.41Å; K223-M254 HydrophobicContact CG-CE 4.38Å; C250-M254 WeakPolarHBondContact O-CA 3.45Å; C250-M254 WeakPolarHBondContact O-CB 3.23Å; C250-M254 WeakPolarHBondContact O-CG 3.06Å; C250-M254 PolarHBondContact O-N 2.97Å; G251-M254 CarbonylContact C-O 3.55Å; M254-L256 HydrophobicContact CB-CB 4.5Å; M254-L256 HydrophobicContact CB-CD1 3.63Å; M254-L256 HydrophobicContact CB-CG 3.95Å; M254-L256 HydrophobicContact CG-CD1 4.31Å; M254-L256 PolarHBondContact O-N 2.72Å
255D40.4Very low41.3Very low160 Ų160105.7 Ų105.786%0.85658%0.583SS**THydrogen-bonded Turntrans-55.481.1165.3-107.2-34.1000109.6
256L35.2Very low41Very low90 Ų90103.1 Ų103.147%0.47158%0.582SS.*  trans-110.149.6-175.9-92.8166.3000109.3M254 A258 F259M254-L256 HydrophobicContact CB-CB 4.5Å; M254-L256 HydrophobicContact CB-CD1 3.63Å; M254-L256 HydrophobicContact CB-CG 3.95Å; M254-L256 HydrophobicContact CG-CD1 4.31Å; M254-L256 PolarHBondContact O-N 2.72Å; L256-A258 PolarHBondContact O-N 2.74Å; L256-F259 HydrophobicContact CD2-CB 3.62Å
257T37.8Very low40.4Very low137 Ų137111.2 Ų111.284%0.8461%0.612SS**THydrogen-bonded Turntrans-68.2-9.4158.249.50000111.9
258A40.8Very low39.9Very low79 Ų79112.1 Ų112.165%0.65362%0.618SS**THydrogen-bonded Turntrans-98.3-6.4-173.800000116.7L256L256-A258 PolarHBondContact O-N 2.74Å
259F34.3Very low39.4Very low170 Ų170106.1 Ų106.175%0.74661%0.608SS**SBendtrans-139.723.4-169.2-126.9-93.7000118.4L256L256-F259 HydrophobicContact CD2-CB 3.62Å
260V36.2Very low39Very low99 Ų99113 Ų11360%0.663%0.629SS**  trans-131.880.6169.4-166.30000112.2
261P35.2Very low38.5Very low114 Ų114118.7 Ų118.774%0.7465%0.649SS**SBendtrans-126.478.8137.634-22.2000108.9
262N36.7Very low38.4Very low123 Ų123120.9 Ų120.966%0.65866%0.658SS**SBendtrans-167-5.9155.3-107.2-28.1000117.3C264N262-C264 VanDerWaalsContact C-N 3.34Å; N262-C264 PolarHBondContact O-N 3.47Å
263I38.4Very low38.2Very low129 Ų129121.1 Ų121.166%0.66266%0.655SS**THydrogen-bonded Turntrans-77.5-20.2178.7-61.2178000112.3N265 S266I263-N265 PolarHBondContact O-N 2.99Å; I263-S266 PolarHBondContact O-OG 3.44Å
264C35.4Very low37.8Very low105 Ų105120.3 Ų120.371%0.70966%0.656SS**THydrogen-bonded Turntrans-75.2-18.6178.1-75.50000114.8N262N262-C264 VanDerWaalsContact C-N 3.34Å; N262-C264 PolarHBondContact O-N 3.47Å
265N33.7Very low37.4Very low112 Ų112125.4 Ų125.460%0.59968%0.679SS**Hα-helixtrans-83.3-16-176.9-80.6-15.2000114.6I263I263-N265 PolarHBondContact O-N 2.99Å
266S39.4Very low37.1Very low79 Ų79122.7 Ų122.755%0.55267%0.673SS**Hα-helixtrans-82-20.2177.463.80000113.5I263I263-S266 PolarHBondContact O-OG 3.44Å
267R37.5Very low37.2Very low195 Ų195122.6 Ų122.674%0.73668%0.68SS**Hα-helixtrans-80.6-30.2177.9-90-175.6176.3-174.9-0.1113.6
268T41.6Very low36.9Very low94 Ų94126.8 Ų126.858%0.57768%0.682SS**Hα-helixtrans-77.2-34.3176.124.40000112.3R270 S272T268-R270 VanDerWaalsContact C-N 3.33Å; T268-R270 PolarHBondContact O-N 3.39Å; T268-S272 PolarHBondContact O-N 3.15Å; T268-S272 PolarHBondContact O-OG 3.07Å
269A39.5Very low36.2Very low65 Ų65132 Ų13254%0.53769%0.692SS.*Hα-helixtrans-68.3-27.5178.800000114S272A269-S272 PolarHBondContact O-OG 2.97Å
270R36.6Very low36.6Very low207 Ų207130.9 Ų130.978%0.78170%0.699SS**Hα-helixtrans-87.4-19.3-178.2-128.4179.9-160.7171.75.8114.4T268T268-R270 VanDerWaalsContact C-N 3.33Å; T268-R270 PolarHBondContact O-N 3.39Å
271K37.1Very low36.6Very low162 Ų162135.3 Ų135.370%0.70473%0.734SS**Hα-helixtrans-84.2-30.2174.7-84.4-172173.9-174.80112.6S273K271-S273 VanDerWaalsContact C-N 3.34Å; K271-S273 PolarHBondContact O-N 3.4Å
272S39.3Very low36.7Very low83 Ų83136.4 Ų136.458%0.5873%0.734SS**Hα-helixtrans-71.6-24.3178.152.60000113.8T268 A269T268-S272 PolarHBondContact O-N 3.15Å; T268-S272 PolarHBondContact O-OG 3.07Å; A269-S272 PolarHBondContact O-OG 2.97Å
273S39.5Very low36.7Very low87 Ų87137.1 Ų137.161%0.60874%0.738SS**THydrogen-bonded Turntrans-85.8-7.3179.777.80000115K271K271-S273 VanDerWaalsContact C-N 3.34Å; K271-S273 PolarHBondContact O-N 3.4Å
274M35.6Very low36.6Very low168 Ų168137.5 Ų137.583%0.82874%0.742SS**THydrogen-bonded Turntrans-106.7-9.6-179.1-106.4-177.5166.900114.2
275Q35.3Very low36.7Very low175 Ų175139.4 Ų139.482%0.81874%0.744SS**SBendtrans-103.27.1-179.2-99.9171.7-39.600114.9
276S34.4Very low36.8Very low104 Ų104141.1 Ų141.173%0.72775%0.753SS**SBendtrans-103.520.2-178.5-173.70000114.7
277S36.7Very low36.7Very low88 Ų88145.3 Ų145.362%0.61577%0.767SS**SBendtrans-134.336.6-174.8-50.60000114.4
278Y31.1Very low36.6Very low225 Ų225141.7 Ų141.788%0.88277%0.769SS**SBendtrans-153.761.7165.6-73.4-72.8000111.6
279E27.5Very low36.2Very low188 Ų188145.4 Ų145.488%0.87978%0.784SS**  trans-151.493.7162.1-87.5-172.3173.100108.5
280V41.2Very low36Very low147 Ų147152.1 Ų152.189%0.89180%0.804SS**  trans-152.4122.4140.4-174.70000107.2
281S37.1Very low35.9Very low191 Ų191147.1 Ų147.1100%1.33681%0.806SS**  trans-53.60175.5-50.10000115.3

Retrieved 281 of 281 residues in 447.2 ms (Link to these results)

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