A0A077Z4V8_TRITR Loading...

FLYWCH and MULE domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z4V8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 480 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
1M26.7Very low30.1Very low240 Ų240121.8 Ų121.8100%1.18267%0.67SS**  01290-84.1169.3172.500106.4
2D25Very low31.8Very low141 Ų141113.9 Ų113.975%0.75463%0.63SS**  trans65.483.3178.8-55.9-19.7000119
3S24.7Very low34.3Very low124 Ų124106.2 Ų106.287%0.86759%0.586SS**  trans-116.768.5150.765.10000109T5S3-T5 PolarHBondContact O-N 3.17Å
4F25.7Very low35.8Very low173 Ų173102.8 Ų102.876%0.75957%0.57SS**  trans-76.9108.3169.2-89.5-86.5000109.4
5T25.6Very low37.2Very low102 Ų10296.7 Ų96.763%0.62654%0.537SS*.  trans35.994.5138.957.70000117.1S3 V7S3-T5 PolarHBondContact O-N 3.17Å; T5-V7 PolarHBondContact O-N 3.42Å
6N23.6Very low37.9Very low162 Ų16295.1 Ų95.187%0.86654%0.54SS*.  trans-70.582.1156.4-127.8-9.7000108.2S8N6-S8 PolarHBondContact O-N 2.91Å; N6-S8 VanDerWaalsContact O-N 3.17Å
7V25Very low38.8Very low124 Ų124102.1 Ų102.175%0.75256%0.556SS**  trans-83.971.6170.6-171.20000107.9T5T5-V7 PolarHBondContact O-N 3.42Å
8S24.6Very low39.7Very low81 Ų81100.1 Ų100.157%0.56655%0.545SS*.  trans-131.788.3159.371.20000107N6N6-S8 PolarHBondContact O-N 2.91Å; N6-S8 VanDerWaalsContact O-N 3.17Å
9D32Very low41Very low111 Ų111102.6 Ų102.659%0.59455%0.545SS*.  trans-170.6141.3138.2-89.2-27.3000112.4A11D9-A11 PolarHBondContact O-N 2.74Å
10K45.3Very low42.7Very low69 Ų69100.3 Ų100.330%0.353%0.531SS..  trans-92.694.1-148.3-63.9175.7-168.5-178.10110.3F22 A23 H24 V66K10-F22 HydrophobicContact CB-CE1 3.9Å; K10-F22 HydrophobicContact CB-CZ 3.7Å; K10-F22 HydrophobicContact CD-CE1 4.31Å; K10-F22 HydrophobicContact CD-CZ 4.46Å; K10-A23 WeakPolarHBondContact CA-O 3.37Å; K10-A23 VanDerWaalsContact CB-O 3.25Å; K10-A23 WeakPolarHBondContact CB-O 3.26Å; K10-H24 HydrophobicContact CD-CB 4.41Å; K10-H24 WeakPolarHBondContact CE-ND1 3.49Å; K10-H24 PolarHBondContact NZ-CE1 2.87Å; K10-H24 PolarHBondContact NZ-ND1 3.23Å; K10-V66 HydrophobicContact CD-CG2 3.75Å
11A52.4Low44.6Very low13 Ų1397 Ų9711%0.10751%0.512CS..  trans-82.3138.2-177.100000112.9D9 F13 A23D9-A11 PolarHBondContact O-N 2.74Å; A11-F13 HydrophobicContact CB-CD1 4.36Å; A11-F13 HydrophobicContact CB-CE1 3.58Å; A11-F13 HydrophobicContact CB-CE2 4.47Å; A11-F13 HydrophobicContact CB-CZ 3.66Å; A11-F13 WeakPolarHBondContact O-CD2 3.3Å; A11-F13 WeakPolarHBondContact O-CE2 3.38Å; A11-F13 WeakPolarHBondContact O-CZ 3.42Å; A11-A23 PolarHBondContact O-N 3.28Å
12S51Low47.2Very low27 Ų2785.7 Ų85.719%0.18946%0.457CS..EExtended strand (participates in β ladder)trans-82.4144161.966.90000110.6K21S12-K21 CarbonylContact C-O 3.46Å; S12-K21 WeakPolarHBondContact CA-O 3.06Å; S12-K21 WeakPolarHBondContact CB-O 3.43Å
13F64.4Low50.1Low13 Ų1379.3 Ų79.36%0.05742%0.424CS..EExtended strand (participates in β ladder)trans-133.4176.5-178.2-36.2-88.3000111.5A11 E20 K21 A23 L28 V82 A86A11-F13 HydrophobicContact CB-CD1 4.36Å; A11-F13 HydrophobicContact CB-CE1 3.58Å; A11-F13 HydrophobicContact CB-CE2 4.47Å; A11-F13 HydrophobicContact CB-CZ 3.66Å; A11-F13 WeakPolarHBondContact O-CD2 3.3Å; A11-F13 WeakPolarHBondContact O-CE2 3.38Å; A11-F13 WeakPolarHBondContact O-CZ 3.42Å; F13-E20 CarbonylContact O-C 3.26Å; F13-E20 WeakPolarHBondContact O-CA 3.36Å; F13-K21 HydrophobicContact CB-CB 4.04Å; F13-K21 HydrophobicContact CD2-CB 4.03Å; F13-K21 PolarHBondContact N-O 3.17Å; F13-K21 PolarHBondContact O-N 2.92Å; F13-A23 HydrophobicContact CE2-CB 3.3Å; F13-A23 HydrophobicContact CZ-CB 3.5Å; F13-L28 HydrophobicContact CD2-CD2 3.78Å; F13-L28 HydrophobicContact CE2-CD2 3.43Å; F13-L28 VanDerWaalsContact CE2-CD2 3.43Å; F13-L28 HydrophobicContact CZ-CD2 4.34Å; F13-V82 HydrophobicContact CZ-CG1 4.05Å; F13-A86 HydrophobicContact CD1-CB 4.24Å; F13-A86 HydrophobicContact CE1-CB 3.68Å
14V54.6Low53Low59 Ų5974.2 Ų74.236%0.35839%0.386SS..EExtended strand (participates in β ladder)trans-116.8123.6173.3-175.40000110.2
15S56.9Low55.8Low11 Ų1171.1 Ų71.18%0.07738%0.377CS..  trans-68.6168.2179.767.30000113R17 D18 R19S15-R17 PolarHBondContact O-N 3.32Å; S15-R17 PolarHBondContact OG-N 3.24Å; S15-D18 PolarHBondContact O-N 3.34Å; S15-R19 VanDerWaalsContact CB-O 3.28Å; S15-R19 WeakPolarHBondContact CB-O 3.44Å; S15-R19 PolarHBondContact N-O 3.04Å; S15-R19 WeakPolarHBondContact OG-CA 3.08Å; S15-R19 WeakPolarHBondContact OG-CB 3.38Å; S15-R19 PolarHBondContact OG-N 2.94Å; S15-R19 PolarHBondContact OG-O 3.46Å
16A49Very low58.6Low71 Ų7167.4 Ų67.459%0.58736%0.359SS*.THydrogen-bonded Turntrans-61.9-12.817400000113.8R130A16-R130 VanDerWaalsContact N-NH2 3.14Å
17R53.1Low61.8Low215 Ų21561.6 Ų61.681%0.81133%0.326SS*.THydrogen-bonded Turntrans-110.118.6176.2-62.6-174.3-177.5-1800.9112.7S15 R19S15-R17 PolarHBondContact O-N 3.32Å; S15-R17 PolarHBondContact OG-N 3.24Å; R17-R19 PolarHBondContact O-N 3.32Å
18D55.9Low64.8Low66 Ų6656 Ų5635%0.35329%0.291SS..SBendtrans64.625.9175-153.832.1000114.4S15S15-D18 PolarHBondContact O-N 3.34Å
19R64.5Low68Low147 Ų14752.1 Ų52.156%0.55526%0.264SS*.  trans-99.6134170.4-61.3-168.9-179.5-165.5-0.6110.4S15 R17S15-R19 VanDerWaalsContact CB-O 3.28Å; S15-R19 WeakPolarHBondContact CB-O 3.44Å; S15-R19 PolarHBondContact N-O 3.04Å; S15-R19 WeakPolarHBondContact OG-CA 3.08Å; S15-R19 WeakPolarHBondContact OG-CB 3.38Å; S15-R19 PolarHBondContact OG-N 2.94Å; S15-R19 PolarHBondContact OG-O 3.46Å; R17-R19 PolarHBondContact O-N 3.32Å
20E73.9Confident70.7Confident57 Ų5747.6 Ų47.627%0.26624%0.241SC..EExtended strand (participates in β ladder)trans-53.7138173.2-163.4-177.7-175.300110F13 T30 F31 K41 W43F13-E20 CarbonylContact O-C 3.26Å; F13-E20 WeakPolarHBondContact O-CA 3.36Å; E20-T30 WeakPolarHBondContact O-CA 3.48Å; E20-F31 HydrophobicContact CB-CB 3.96Å; E20-F31 PolarHBondContact O-N 3.29Å; E20-K41 VanDerWaalsContact CD-NZ 3.28Å; E20-K41 IonicContact OE1-NZ 2.81Å; E20-K41 PolarHBondContact OE1-NZ 3.14Å; E20-K41 IonicContact OE2-NZ 3.44Å; E20-K41 PolarHBondContact OE2-NZ 3.15Å; E20-W43 HydrophobicContact CB-CZ3 4.19Å; E20-W43 VanDerWaalsContact CD-CH2 3.43Å; E20-W43 HydrophobicContact CG-CH2 3.76Å; E20-W43 HydrophobicContact CG-CZ3 3.8Å; E20-W43 WeakPolarHBondContact OE1-CH2 3.46Å
21K82.6Confident72.8Confident31 Ų3146.7 Ų46.714%0.13524%0.237CC..EExtended strand (participates in β ladder)trans-122.3160.2175.9-77.5-163.8168.8-165.70109.7S12 F13 Y29 T30 D46S12-K21 CarbonylContact C-O 3.46Å; S12-K21 WeakPolarHBondContact CA-O 3.06Å; S12-K21 WeakPolarHBondContact CB-O 3.43Å; F13-K21 HydrophobicContact CB-CB 4.04Å; F13-K21 HydrophobicContact CD2-CB 4.03Å; F13-K21 PolarHBondContact N-O 3.17Å; F13-K21 PolarHBondContact O-N 2.92Å; K21-Y29 CarbonylContact C-O 3.5Å; K21-Y29 WeakPolarHBondContact CA-O 3.3Å; K21-Y29 WeakPolarHBondContact CB-O 3.4Å; K21-Y29 WeakPolarHBondContact CG-O 3.3Å; K21-T30 HydrophobicContact CD-CG2 4.48Å; K21-T30 HydrophobicContact CG-CG2 3.94Å; K21-D46 IonicContact NZ-OD2 4Å; K21-D46 PolarHBondContact NZ-OD2 3.31Å
22F81.9Confident74.6Confident2 Ų248.3 Ų48.31%0.00924%0.244CC..EExtended strand (participates in β ladder)trans-138.2135.4177.3-166.8-93.3000109.4K10 H24 L28 Y29 W43 L57 T59 V66K10-F22 HydrophobicContact CB-CE1 3.9Å; K10-F22 HydrophobicContact CB-CZ 3.7Å; K10-F22 HydrophobicContact CD-CE1 4.31Å; K10-F22 HydrophobicContact CD-CZ 4.46Å; F22-H24 HydrophobicContact CD1-CB 4.21Å; F22-H24 HydrophobicContact CE1-CB 4.08Å; F22-L28 CarbonylContact O-C 3.58Å; F22-L28 WeakPolarHBondContact O-CA 3.29Å; F22-Y29 PolarHBondContact N-O 3.16Å; F22-Y29 PolarHBondContact O-N 3.17Å; F22-W43 HydrophobicContact CB-CD2 3.89Å; F22-W43 HydrophobicContact CB-CE3 3.67Å; F22-W43 HydrophobicContact CB-CH2 3.96Å; F22-W43 HydrophobicContact CB-CZ2 4.15Å; F22-W43 HydrophobicContact CB-CZ3 3.73Å; F22-W43 HydrophobicContact CD2-CH2 4.11Å; F22-W43 AromaticContact CD2-CZ2 3.88Å; F22-W43 HydrophobicContact CD2-CZ2 3.88Å; F22-W43 HydrophobicContact CG-CD2 4.49Å; F22-W43 HydrophobicContact CG-CH2 4.44Å; F22-W43 HydrophobicContact CG-CZ2 4.27Å; F22-L57 HydrophobicContact CD1-CD2 3.42Å; F22-L57 VanDerWaalsContact CD1-CD2 3.42Å; F22-L57 HydrophobicContact CE1-CD2 3.63Å; F22-L57 HydrophobicContact CG-CD2 4.46Å; F22-T59 HydrophobicContact CD1-CG2 4.44Å; F22-T59 HydrophobicContact CE1-CG2 4Å; F22-T59 HydrophobicContact CE2-CG2 4.18Å; F22-T59 HydrophobicContact CZ-CG2 3.86Å; F22-V66 HydrophobicContact CE1-CG2 3.95Å; F22-V66 HydrophobicContact CZ-CG2 4.35Å
23A85.5Confident76.4Confident8 Ų854.2 Ų54.27%0.06626%0.262CS..EExtended strand (participates in β ladder)trans-96133.7171.100000110.8K10 A11 F13 Y27 L28 V82K10-A23 WeakPolarHBondContact CA-O 3.37Å; K10-A23 VanDerWaalsContact CB-O 3.25Å; K10-A23 WeakPolarHBondContact CB-O 3.26Å; A11-A23 PolarHBondContact O-N 3.28Å; F13-A23 HydrophobicContact CE2-CB 3.3Å; F13-A23 HydrophobicContact CZ-CB 3.5Å; A23-Y27 VanDerWaalsContact CA-O 3.29Å; A23-Y27 WeakPolarHBondContact CA-O 3.1Å; A23-L28 HydrophobicContact CB-CD2 4.17Å; A23-V82 HydrophobicContact CB-CG1 3.63Å; A23-V82 HydrophobicContact CB-CG2 4.4Å
24H85.9Confident77.6Confident16 Ų1657.5 Ų57.57%0.07428%0.276CS..EExtended strand (participates in β ladder)trans-152.3128.3168.9178.134.2000108.8K10 F22 G26 Y27 Y29 L57K10-H24 HydrophobicContact CD-CB 4.41Å; K10-H24 WeakPolarHBondContact CE-ND1 3.49Å; K10-H24 PolarHBondContact NZ-CE1 2.87Å; K10-H24 PolarHBondContact NZ-ND1 3.23Å; F22-H24 HydrophobicContact CD1-CB 4.21Å; F22-H24 HydrophobicContact CE1-CB 4.08Å; H24-G26 VanDerWaalsContact C-N 3.3Å; H24-G26 PolarHBondContact O-N 3.06Å; H24-Y27 PolarHBondContact N-O 2.68Å; H24-Y27 WeakPolarHBondContact O-CA 3.42Å; H24-Y27 WeakPolarHBondContact O-CB 3.48Å; H24-Y27 PolarHBondContact O-N 2.95Å; H24-Y29 HydrophobicContact CB-CE2 3.96Å; H24-L57 HydrophobicContact CB-CD2 3.88Å; H24-L57 VanDerWaalsContact CD2-CD1 3.43Å; H24-L57 WeakPolarHBondContact CD2-CD1 3.32Å
25D84.6Confident79.3Confident108 Ų10856 Ų5658%0.57827%0.266SS*.THydrogen-bonded Turntrans53.243.4173.3-58.4-0.7000113.4Y27D25-Y27 HydrophobicContact CB-CD2 4.39Å; D25-Y27 WeakPolarHBondContact O-CD2 3.2Å; D25-Y27 WeakPolarHBondContact O-CE2 3.43Å; D25-Y27 PolarHBondContact O-N 2.79Å
26G84.1Confident80.7Confident24 Ų2461.4 Ų61.425%0.24730%0.304CS..THydrogen-bonded Turntrans75.46.4-179.100000114.6H24 D78H24-G26 VanDerWaalsContact C-N 3.3Å; H24-G26 PolarHBondContact O-N 3.06Å; G26-D78 CarbonylContact O-C 3.52Å; G26-D78 PolarHBondContact O-N 3.3Å
27Y90.3Very high82.6Confident41 Ų4161.9 Ų61.916%0.16130%0.3CS..EExtended strand (participates in β ladder)trans-107.8153.3175.9-57.8-74.8000112.2A23 H24 D25 H73 H75 P77A23-Y27 VanDerWaalsContact CA-O 3.29Å; A23-Y27 WeakPolarHBondContact CA-O 3.1Å; H24-Y27 PolarHBondContact N-O 2.68Å; H24-Y27 WeakPolarHBondContact O-CA 3.42Å; H24-Y27 WeakPolarHBondContact O-CB 3.48Å; H24-Y27 PolarHBondContact O-N 2.95Å; D25-Y27 HydrophobicContact CB-CD2 4.39Å; D25-Y27 WeakPolarHBondContact O-CD2 3.2Å; D25-Y27 WeakPolarHBondContact O-CE2 3.43Å; D25-Y27 PolarHBondContact O-N 2.79Å; Y27-H73 HydrophobicContact CD1-CB 4.44Å; Y27-H73 AromaticContact CD1-CD2 3.9Å; Y27-H73 AromaticContact CD1-CE1 3.72Å; Y27-H73 AromaticContact CD1-CG 3.8Å; Y27-H73 AromaticContact CD1-ND1 3.73Å; Y27-H73 AromaticContact CD1-NE2 3.84Å; Y27-H73 AromaticContact CD2-CD2 3.5Å; Y27-H73 VanDerWaalsContact CD2-CD2 3.5Å; Y27-H73 WeakPolarHBondContact CD2-CD2 3.46Å; Y27-H73 AromaticContact CD2-NE2 3.34Å; Y27-H73 VanDerWaalsContact CD2-NE2 3.34Å; Y27-H73 WeakPolarHBondContact CD2-NE2 3.38Å; Y27-H73 HydrophobicContact CE1-CB 3.77Å; Y27-H73 AromaticContact CE1-CD2 3.78Å; Y27-H73 AromaticContact CE1-CG 3.57Å; Y27-H73 AromaticContact CE1-ND1 3.95Å; Y27-H73 AromaticContact CE2-CD2 3.42Å; Y27-H73 VanDerWaalsContact CE2-CD2 3.42Å; Y27-H73 WeakPolarHBondContact CE2-CD2 3.27Å; Y27-H73 AromaticContact CE2-NE2 3.8Å; Y27-H73 AromaticContact CG-CD2 3.73Å; Y27-H73 AromaticContact CG-CE1 3.53Å; Y27-H73 AromaticContact CG-NE2 3.35Å; Y27-H73 VanDerWaalsContact CG-NE2 3.35Å; Y27-H73 AromaticContact CZ-CD2 3.54Å; Y27-H73 AromaticContact CZ-CG 3.72Å; Y27-H75 AromaticContact CD1-CE1 3.53Å; Y27-H75 AromaticContact CD1-ND1 3.94Å; Y27-H75 AromaticContact CE1-CE1 3.66Å; Y27-H75 AromaticContact CE1-ND1 3.67Å; Y27-H75 WeakPolarHBondContact CE1-O 3.36Å; Y27-H75 PolarHBondContact OH-O 3.36Å; Y27-P77 HydrophobicContact CD1-CB 4.34Å; Y27-P77 HydrophobicContact CD2-CB 4.42Å; Y27-P77 VanDerWaalsContact CE1-CA 3.42Å; Y27-P77 HydrophobicContact CE1-CB 3.92Å; Y27-P77 HydrophobicContact CE2-CB 3.96Å; Y27-P77 VanDerWaalsContact OH-CD 3.3Å; Y27-P77 WeakPolarHBondContact OH-CD 3.24Å
28L89.1Confident84.1Confident6 Ų658.3 Ų58.33%0.03129%0.292CS..EExtended strand (participates in β ladder)trans-110.2133.5171.5-70.5175000110F13 F22 A23 D46 R81 V82 A85F13-L28 HydrophobicContact CD2-CD2 3.78Å; F13-L28 HydrophobicContact CE2-CD2 3.43Å; F13-L28 VanDerWaalsContact CE2-CD2 3.43Å; F13-L28 HydrophobicContact CZ-CD2 4.34Å; F22-L28 CarbonylContact O-C 3.58Å; F22-L28 WeakPolarHBondContact O-CA 3.29Å; A23-L28 HydrophobicContact CB-CD2 4.17Å; L28-D46 HydrophobicContact CB-CB 4.22Å; L28-D46 WeakPolarHBondContact CB-OD2 3.41Å; L28-D46 VanDerWaalsContact O-CB 3.29Å; L28-D46 WeakPolarHBondContact O-CB 3.33Å; L28-D46 PolarHBondContact O-N 3.23Å; L28-R81 HydrophobicContact CD1-CG 4.13Å; L28-V82 HydrophobicContact CD2-CG2 3.99Å; L28-V82 HydrophobicContact CG-CG2 3.95Å; L28-A85 HydrophobicContact CD1-CB 4.02Å
29Y90.8Very high85.3Confident0 Ų064 Ų640%031%0.309CS..EExtended strand (participates in β ladder)trans-113.7158.3173.8-56.3-104.7000109.6K21 F22 H24 W43 R44 L57 Q69 H73K21-Y29 CarbonylContact C-O 3.5Å; K21-Y29 WeakPolarHBondContact CA-O 3.3Å; K21-Y29 WeakPolarHBondContact CB-O 3.4Å; K21-Y29 WeakPolarHBondContact CG-O 3.3Å; F22-Y29 PolarHBondContact N-O 3.16Å; F22-Y29 PolarHBondContact O-N 3.17Å; H24-Y29 HydrophobicContact CB-CE2 3.96Å; Y29-W43 HydrophobicContact CD1-CB 4.33Å; Y29-W43 HydrophobicContact CG-CB 4.28Å; Y29-R44 CarbonylContact C-O 3.43Å; Y29-R44 WeakPolarHBondContact CA-O 3.42Å; Y29-R44 WeakPolarHBondContact CB-O 3.43Å; Y29-L57 HydrophobicContact CD1-CB 3.72Å; Y29-L57 HydrophobicContact CD2-CD2 4.03Å; Y29-L57 HydrophobicContact CE1-CB 3.68Å; Y29-L57 HydrophobicContact CE2-CD2 4Å; Y29-L57 HydrophobicContact CG-CB 4.17Å; Y29-L57 HydrophobicContact CG-CD2 4.37Å; Y29-Q69 PolarHBondContact OH-OE1 3.47Å; Y29-Q69 VanDerWaalsContact OH-OE1 3.07Å; Y29-H73 AromaticContact CE1-CE1 3.85Å; Y29-H73 AromaticContact CZ-CE1 3.63Å; Y29-H73 AromaticContact CZ-NE2 3.49Å; Y29-H73 PolarHBondContact OH-CE1 3.33Å; Y29-H73 PolarHBondContact OH-NE2 3.34Å
30T89.9Confident86.3Confident15 Ų1559.2 Ų59.29%0.09229%0.294CS..EExtended strand (participates in β ladder)trans-117.3139.3170.553.90000109.2E20 K21 W43 R44 D46 R48E20-T30 WeakPolarHBondContact O-CA 3.48Å; K21-T30 HydrophobicContact CD-CG2 4.48Å; K21-T30 HydrophobicContact CG-CG2 3.94Å; T30-W43 WeakPolarHBondContact O-CA 3.3Å; T30-R44 PolarHBondContact N-O 2.89Å; T30-R44 PolarHBondContact O-N 3.15Å; T30-R44 PolarHBondContact OG1-O 3.18Å; T30-D46 HydrophobicContact CG2-CB 3.94Å; T30-R48 PolarHBondContact OG1-NH1 2.94Å
31F88.6Confident87Confident50 Ų5057.8 Ų57.822%0.21929%0.287CS..EExtended strand (participates in β ladder)trans-58137.3176.7179.9-104.5000111.3E20 R33 F34 K41 W43E20-F31 HydrophobicContact CB-CB 3.96Å; E20-F31 PolarHBondContact O-N 3.29Å; F31-R33 VanDerWaalsContact CZ-C 3.44Å; F31-F34 HydrophobicContact CE1-CE2 4.46Å; F31-F34 HydrophobicContact CE2-CD1 4.44Å; F31-F34 HydrophobicContact CE2-CE1 4.33Å; F31-F34 HydrophobicContact CE2-CE2 4.42Å; F31-F34 HydrophobicContact CE2-CZ 4.3Å; F31-F34 HydrophobicContact CZ-CD1 4.43Å; F31-F34 AromaticContact CZ-CD2 3.78Å; F31-F34 HydrophobicContact CZ-CD2 3.78Å; F31-F34 HydrophobicContact CZ-CE1 4.35Å; F31-F34 AromaticContact CZ-CE2 3.67Å; F31-F34 HydrophobicContact CZ-CE2 3.67Å; F31-F34 HydrophobicContact CZ-CG 4.16Å; F31-F34 AromaticContact CZ-CZ 3.97Å; F31-F34 HydrophobicContact CZ-CZ 3.97Å; F31-K41 HydrophobicContact CD2-CB 4.17Å; F31-K41 HydrophobicContact CD2-CD 4.19Å; F31-K41 HydrophobicContact CD2-CG 4.35Å; F31-K41 HydrophobicContact CE2-CB 3.9Å; F31-K41 HydrophobicContact CE2-CD 4.08Å; F31-K41 HydrophobicContact CE2-CG 3.87Å; F31-W43 HydrophobicContact CB-CE3 3.87Å; F31-W43 HydrophobicContact CB-CZ3 3.78Å; F31-W43 HydrophobicContact CD2-CE3 4.5Å; F31-W43 HydrophobicContact CD2-CZ3 4.46Å
32D90Very high87.5Confident48 Ų4857.9 Ų57.926%0.25729%0.287SS..EExtended strand (participates in β ladder)trans-108-64.2178.6-170.230.3000110.4F42 R44 R56D32-F42 HydrophobicContact CB-CB 4.48Å; D32-F42 WeakPolarHBondContact CB-O 3.4Å; D32-F42 PolarHBondContact N-O 3.03Å; D32-R44 HydrophobicContact CB-CG 4.13Å; D32-R44 VanDerWaalsContact CG-NH2 3.33Å; D32-R44 IonicContact OD1-CZ 3.57Å; D32-R44 VanDerWaalsContact OD1-CZ 3.31Å; D32-R44 IonicContact OD1-NE 2.78Å; D32-R44 PolarHBondContact OD1-NE 2.93Å; D32-R44 IonicContact OD1-NH2 3.99Å; D32-R44 PolarHBondContact OD1-NH2 3.48Å; D32-R44 IonicContact OD2-CZ 3.09Å; D32-R44 VanDerWaalsContact OD2-CZ 3.29Å; D32-R44 IonicContact OD2-NE 3.92Å; D32-R44 PolarHBondContact OD2-NE 3.32Å; D32-R44 IonicContact OD2-NH2 3.56Å; D32-R44 PolarHBondContact OD2-NH2 3.45Å; D32-R56 IonicContact OD2-CZ 3.39Å; D32-R56 IonicContact OD2-NH1 3.76Å; D32-R56 PolarHBondContact OD2-NH1 3.16Å; D32-R56 IonicContact OD2-NH2 3.29Å
33R90Very high88.1Confident150 Ų15057.8 Ų57.857%0.56629%0.287SS*.EExtended strand (participates in β ladder)trans-168.9168-176.761.8-176.5-177.5-178.33.3111F31 F42F31-R33 VanDerWaalsContact CZ-C 3.44Å; R33-F42 HydrophobicContact CG-CB 4.5Å; R33-F42 HydrophobicContact CG-CD2 3.92Å; R33-F42 WeakPolarHBondContact O-CB 3.17Å; R33-F42 PolarHBondContact O-N 2.77Å
34F88.9Confident88.5Confident83 Ų8361.4 Ų61.436%0.36430%0.299SS..EExtended strand (participates in β ladder)trans-80.9165.1166.2-64.2-78.3000111.9F31 E38 I40 K41 V61F31-F34 HydrophobicContact CE1-CE2 4.46Å; F31-F34 HydrophobicContact CE2-CD1 4.44Å; F31-F34 HydrophobicContact CE2-CE1 4.33Å; F31-F34 HydrophobicContact CE2-CE2 4.42Å; F31-F34 HydrophobicContact CE2-CZ 4.3Å; F31-F34 HydrophobicContact CZ-CD1 4.43Å; F31-F34 AromaticContact CZ-CD2 3.78Å; F31-F34 HydrophobicContact CZ-CD2 3.78Å; F31-F34 HydrophobicContact CZ-CE1 4.35Å; F31-F34 AromaticContact CZ-CE2 3.67Å; F31-F34 HydrophobicContact CZ-CE2 3.67Å; F31-F34 HydrophobicContact CZ-CG 4.16Å; F31-F34 AromaticContact CZ-CZ 3.97Å; F31-F34 HydrophobicContact CZ-CZ 3.97Å; F34-E38 HydrophobicContact CB-CG 4.4Å; F34-I40 CarbonylContact C-O 3.57Å; F34-I40 VanDerWaalsContact CA-O 3.28Å; F34-I40 WeakPolarHBondContact CA-O 3.16Å; F34-K41 HydrophobicContact CD1-CG 3.92Å; F34-K41 HydrophobicContact CE1-CD 4.24Å; F34-K41 HydrophobicContact CE1-CG 3.59Å; F34-V61 HydrophobicContact CD1-CG2 3.77Å; F34-V61 HydrophobicContact CE1-CG2 3.65Å
35D91Very high88.9Confident27 Ų2760.6 Ų60.614%0.14430%0.295CS..  trans-73174.7159.780.6-53.4000111.2T37 E38 R39 I40 F42D35-T37 PolarHBondContact O-N 3.38Å; D35-T37 WeakPolarHBondContact OD2-CB 3.41Å; D35-T37 PolarHBondContact OD2-N 3.28Å; D35-T37 VanDerWaalsContact OD2-N 3.15Å; D35-T37 PolarHBondContact OD2-OG1 3Å; D35-E38 PolarHBondContact O-N 3.44Å; D35-E38 PolarHBondContact OD1-N 3.33Å; D35-E38 VanDerWaalsContact OD1-N 3.14Å; D35-R39 PolarHBondContact OD1-N 2.77Å; D35-I40 HydrophobicContact CB-CB 4.06Å; D35-I40 PolarHBondContact N-O 2.99Å; D35-I40 PolarHBondContact OD1-N 3.13Å; D35-F42 HydrophobicContact CB-CE1 4.36Å; D35-F42 HydrophobicContact CB-CE2 4.06Å; D35-F42 HydrophobicContact CB-CZ 3.64Å
36S85.9Confident89.2Confident124 Ų12456.7 Ų56.787%0.86727%0.274SS*.THydrogen-bonded Turntrans-65.4-21.2-178.454.30000113.9
37T87.2Confident89.5Confident81 Ų8157.4 Ų57.450%0.49727%0.27SS..THydrogen-bonded Turntrans-94.3-1.8178.671.80000113.5D35 R39D35-T37 PolarHBondContact O-N 3.38Å; D35-T37 WeakPolarHBondContact OD2-CB 3.41Å; D35-T37 PolarHBondContact OD2-N 3.28Å; D35-T37 VanDerWaalsContact OD2-N 3.15Å; D35-T37 PolarHBondContact OD2-OG1 3Å; T37-R39 PolarHBondContact O-N 3.3Å; T37-R39 VanDerWaalsContact O-N 3.15Å; T37-R39 WeakPolarHBondContact OG1-CB 3.48Å
38E84.9Confident89.6Confident141 Ų14159.4 Ų59.466%0.65928%0.278SS*.SBendtrans55.423.4-173.3-57.8-171165.800114.5F34 D35 V61F34-E38 HydrophobicContact CB-CG 4.4Å; D35-E38 PolarHBondContact O-N 3.44Å; D35-E38 PolarHBondContact OD1-N 3.33Å; D35-E38 VanDerWaalsContact OD1-N 3.14Å; E38-V61 WeakPolarHBondContact O-CG2 3.35Å
39R82Confident89.5Confident184 Ų18464.3 Ų64.369%0.69431%0.308SS*.SBendtrans-99.8-12.7178.1-65.5-180-179.7-160.7-0.5112.8D35 T37 V61D35-R39 PolarHBondContact OD1-N 2.77Å; T37-R39 PolarHBondContact O-N 3.3Å; T37-R39 VanDerWaalsContact O-N 3.15Å; T37-R39 WeakPolarHBondContact OG1-CB 3.48Å; R39-V61 VanDerWaalsContact C-CG2 3.45Å; R39-V61 PolarHBondContact O-N 2.8Å
40I85.3Confident89.4Confident47 Ų4768.2 Ų68.224%0.24134%0.34CS..EExtended strand (participates in β ladder)trans-129.4130.6-177.4-54.6178000109.8F34 D35 F42 H58 T59 L67F34-I40 CarbonylContact C-O 3.57Å; F34-I40 VanDerWaalsContact CA-O 3.28Å; F34-I40 WeakPolarHBondContact CA-O 3.16Å; D35-I40 HydrophobicContact CB-CB 4.06Å; D35-I40 PolarHBondContact N-O 2.99Å; D35-I40 PolarHBondContact OD1-N 3.13Å; I40-F42 HydrophobicContact CB-CE1 4.29Å; I40-F42 HydrophobicContact CG2-CD1 3.91Å; I40-F42 HydrophobicContact CG2-CE1 3.55Å; I40-H58 HydrophobicContact CG2-CB 4.1Å; I40-T59 CarbonylContact C-O 3.57Å; I40-T59 VanDerWaalsContact CA-O 3.31Å; I40-T59 WeakPolarHBondContact CA-O 3.25Å; I40-T59 WeakPolarHBondContact CG2-O 3.39Å; I40-L67 HydrophobicContact CB-CD1 4.45Å; I40-L67 HydrophobicContact CD1-CD1 3.89Å; I40-L67 HydrophobicContact CG1-CD1 3.78Å; I40-L67 HydrophobicContact CG2-CD1 4.01Å
41K89.3Confident89.4Confident28 Ų2871.5 Ų71.512%0.12235%0.354CS..EExtended strand (participates in β ladder)trans-90.7132.4167.5-63.5-171.2174.4-173.80110.1E20 F31 F34 W43 H58 T59 V61E20-K41 VanDerWaalsContact CD-NZ 3.28Å; E20-K41 IonicContact OE1-NZ 2.81Å; E20-K41 PolarHBondContact OE1-NZ 3.14Å; E20-K41 IonicContact OE2-NZ 3.44Å; E20-K41 PolarHBondContact OE2-NZ 3.15Å; F31-K41 HydrophobicContact CD2-CB 4.17Å; F31-K41 HydrophobicContact CD2-CD 4.19Å; F31-K41 HydrophobicContact CD2-CG 4.35Å; F31-K41 HydrophobicContact CE2-CB 3.9Å; F31-K41 HydrophobicContact CE2-CD 4.08Å; F31-K41 HydrophobicContact CE2-CG 3.87Å; F34-K41 HydrophobicContact CD1-CG 3.92Å; F34-K41 HydrophobicContact CE1-CD 4.24Å; F34-K41 HydrophobicContact CE1-CG 3.59Å; K41-W43 HydrophobicContact CB-CZ2 3.97Å; K41-W43 HydrophobicContact CD-CH2 4.07Å; K41-W43 HydrophobicContact CD-CZ2 3.5Å; K41-W43 VanDerWaalsContact CD-CZ2 3.5Å; K41-W43 HydrophobicContact CG-CZ2 4.37Å; K41-W43 PolarHBondContact O-NE1 3.35Å; K41-H58 WeakPolarHBondContact O-CA 3.5Å; K41-T59 PolarHBondContact N-O 3.06Å; K41-T59 PolarHBondContact O-N 3.38Å; K41-V61 HydrophobicContact CG-CG2 3.72Å
42F92.7Very high89.6Confident33 Ų3376.5 Ų76.515%0.14538%0.378CS..EExtended strand (participates in β ladder)trans-99.1136168-57-33000110.6D32 R33 D35 I40 H58D32-F42 HydrophobicContact CB-CB 4.48Å; D32-F42 WeakPolarHBondContact CB-O 3.4Å; D32-F42 PolarHBondContact N-O 3.03Å; R33-F42 HydrophobicContact CG-CB 4.5Å; R33-F42 HydrophobicContact CG-CD2 3.92Å; R33-F42 WeakPolarHBondContact O-CB 3.17Å; R33-F42 PolarHBondContact O-N 2.77Å; D35-F42 HydrophobicContact CB-CE1 4.36Å; D35-F42 HydrophobicContact CB-CE2 4.06Å; D35-F42 HydrophobicContact CB-CZ 3.64Å; I40-F42 HydrophobicContact CB-CE1 4.29Å; I40-F42 HydrophobicContact CG2-CD1 3.91Å; I40-F42 HydrophobicContact CG2-CE1 3.55Å; F42-H58 HydrophobicContact CD1-CB 4.33Å; F42-H58 AromaticContact CD1-CD2 3.64Å; F42-H58 AromaticContact CD1-CE1 3.54Å; F42-H58 AromaticContact CD1-CG 3.6Å; F42-H58 AromaticContact CD1-ND1 3.55Å; F42-H58 AromaticContact CD1-NE2 3.62Å; F42-H58 AromaticContact CE1-CE1 3.3Å; F42-H58 WeakPolarHBondContact CE1-CE1 3.34Å; F42-H58 AromaticContact CE1-CG 3.79Å; F42-H58 AromaticContact CE1-ND1 3.24Å; F42-H58 WeakPolarHBondContact CE1-ND1 3.49Å; F42-H58 AromaticContact CE1-NE2 3.88Å
43W93.7Very high89.8Confident0 Ų074.5 Ų74.50%037%0.368CS..EExtended strand (participates in β ladder)trans-125.9149.5-179.2-44.181.3000110.3E20 F22 Y29 T30 F31 K41 R56 L57 T59E20-W43 HydrophobicContact CB-CZ3 4.19Å; E20-W43 VanDerWaalsContact CD-CH2 3.43Å; E20-W43 HydrophobicContact CG-CH2 3.76Å; E20-W43 HydrophobicContact CG-CZ3 3.8Å; E20-W43 WeakPolarHBondContact OE1-CH2 3.46Å; F22-W43 HydrophobicContact CB-CD2 3.89Å; F22-W43 HydrophobicContact CB-CE3 3.67Å; F22-W43 HydrophobicContact CB-CH2 3.96Å; F22-W43 HydrophobicContact CB-CZ2 4.15Å; F22-W43 HydrophobicContact CB-CZ3 3.73Å; F22-W43 HydrophobicContact CD2-CH2 4.11Å; F22-W43 AromaticContact CD2-CZ2 3.88Å; F22-W43 HydrophobicContact CD2-CZ2 3.88Å; F22-W43 HydrophobicContact CG-CD2 4.49Å; F22-W43 HydrophobicContact CG-CH2 4.44Å; F22-W43 HydrophobicContact CG-CZ2 4.27Å; Y29-W43 HydrophobicContact CD1-CB 4.33Å; Y29-W43 HydrophobicContact CG-CB 4.28Å; T30-W43 WeakPolarHBondContact O-CA 3.3Å; F31-W43 HydrophobicContact CB-CE3 3.87Å; F31-W43 HydrophobicContact CB-CZ3 3.78Å; F31-W43 HydrophobicContact CD2-CE3 4.5Å; F31-W43 HydrophobicContact CD2-CZ3 4.46Å; K41-W43 HydrophobicContact CB-CZ2 3.97Å; K41-W43 HydrophobicContact CD-CH2 4.07Å; K41-W43 HydrophobicContact CD-CZ2 3.5Å; K41-W43 VanDerWaalsContact CD-CZ2 3.5Å; K41-W43 HydrophobicContact CG-CZ2 4.37Å; K41-W43 PolarHBondContact O-NE1 3.35Å; W43-R56 CarbonylContact O-C 3.44Å; W43-R56 WeakPolarHBondContact O-CA 3.39Å; W43-R56 VanDerWaalsContact O-CB 3.25Å; W43-R56 WeakPolarHBondContact O-CB 3.35Å; W43-L57 HydrophobicContact CB-CB 4.02Å; W43-L57 VanDerWaalsContact CD1-O 3.26Å; W43-L57 HydrophobicContact CG-CB 4.33Å; W43-L57 PolarHBondContact N-O 2.87Å; W43-L57 PolarHBondContact O-N 3.33Å; W43-T59 PolarHBondContact NE1-OG1 3.37Å
44R94.4Very high90Very high83 Ų8375 Ų7531%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-116.3144.6172.1-63.2-176.5-167.9-162.311.3109.9Y29 T30 D32 D46 R56Y29-R44 CarbonylContact C-O 3.43Å; Y29-R44 WeakPolarHBondContact CA-O 3.42Å; Y29-R44 WeakPolarHBondContact CB-O 3.43Å; T30-R44 PolarHBondContact N-O 2.89Å; T30-R44 PolarHBondContact O-N 3.15Å; T30-R44 PolarHBondContact OG1-O 3.18Å; D32-R44 HydrophobicContact CB-CG 4.13Å; D32-R44 VanDerWaalsContact CG-NH2 3.33Å; D32-R44 IonicContact OD1-CZ 3.57Å; D32-R44 VanDerWaalsContact OD1-CZ 3.31Å; D32-R44 IonicContact OD1-NE 2.78Å; D32-R44 PolarHBondContact OD1-NE 2.93Å; D32-R44 IonicContact OD1-NH2 3.99Å; D32-R44 PolarHBondContact OD1-NH2 3.48Å; D32-R44 IonicContact OD2-CZ 3.09Å; D32-R44 VanDerWaalsContact OD2-CZ 3.29Å; D32-R44 IonicContact OD2-NE 3.92Å; D32-R44 PolarHBondContact OD2-NE 3.32Å; D32-R44 IonicContact OD2-NH2 3.56Å; D32-R44 PolarHBondContact OD2-NH2 3.45Å; R44-D46 PolarHBondContact O-N 2.92Å; R44-R56 HydrophobicContact CG-CG 4.34Å
45C94.5Very high90.3Very high0 Ų071 Ų710%036%0.357CS..EExtended strand (participates in β ladder)trans-50.8136.4171.8-179.50000111.2K47 R48 C53 A55 H75C45-K47 PolarHBondContact O-N 3.31Å; C45-K47 PolarHBondContact SG-N 2.93Å; C45-K47 VanDerWaalsContact SG-N 3.44Å; C45-R48 WeakPolarHBondContact O-CB 3.21Å; C45-R48 WeakPolarHBondContact O-CG 3.47Å; C45-R48 PolarHBondContact O-N 3.19Å; C45-C53 HydrophobicContact CB-CB 4.3Å; C45-A55 HydrophobicContact CB-CB 4.2Å; C45-A55 PolarHBondContact N-O 3.26Å; C45-H75 PolarHBondContact SG-NE2 3.17Å
46D90Very high90.6Very high25 Ų2573.1 Ų73.113%0.13436%0.363CS..THydrogen-bonded Turntrans-74.3-18.1-17891.3-17.1000112.8K21 L28 T30 R44 R81K21-D46 IonicContact NZ-OD2 4Å; K21-D46 PolarHBondContact NZ-OD2 3.31Å; L28-D46 HydrophobicContact CB-CB 4.22Å; L28-D46 WeakPolarHBondContact CB-OD2 3.41Å; L28-D46 VanDerWaalsContact O-CB 3.29Å; L28-D46 WeakPolarHBondContact O-CB 3.33Å; L28-D46 PolarHBondContact O-N 3.23Å; T30-D46 HydrophobicContact CG2-CB 3.94Å; R44-D46 PolarHBondContact O-N 2.92Å; D46-R81 VanDerWaalsContact CG-NH2 3.33Å; D46-R81 IonicContact OD1-CZ 3.67Å; D46-R81 IonicContact OD1-NH1 3.55Å; D46-R81 PolarHBondContact OD1-NH1 2.82Å; D46-R81 IonicContact OD1-NH2 3.19Å; D46-R81 PolarHBondContact OD1-NH2 3.28Å; D46-R81 IonicContact OD2-CZ 3.53Å; D46-R81 VanDerWaalsContact OD2-CZ 3.24Å; D46-R81 IonicContact OD2-NH1 3.27Å; D46-R81 PolarHBondContact OD2-NH1 2.89Å; D46-R81 IonicContact OD2-NH2 2.91Å; D46-R81 PolarHBondContact OD2-NH2 3.24Å
47K90.8Very high91Very high39 Ų3967.2 Ų67.217%0.1732%0.321CS..THydrogen-bonded Turntrans-91.210173.4-71.2-162.7-173.1179.60112.8C45 T49 A50 H51 H75 D78C45-K47 PolarHBondContact O-N 3.31Å; C45-K47 PolarHBondContact SG-N 2.93Å; C45-K47 VanDerWaalsContact SG-N 3.44Å; K47-T49 PolarHBondContact O-N 3.48Å; K47-A50 PolarHBondContact O-N 3.11Å; K47-A50 VanDerWaalsContact O-N 3.15Å; K47-H51 PolarHBondContact O-N 2.91Å; K47-H75 WeakPolarHBondContact CB-NE2 3.42Å; K47-D78 IonicContact NZ-OD2 2.9Å; K47-D78 PolarHBondContact NZ-OD2 3.16Å
48R92Very high91.3Very high84 Ų8464.7 Ų64.732%0.31730%0.304SS..THydrogen-bonded Turntrans-51.8-32.9179.869176.4178.3-85.42.9115T30 C45 H52 C53T30-R48 PolarHBondContact OG1-NH1 2.94Å; C45-R48 WeakPolarHBondContact O-CB 3.21Å; C45-R48 WeakPolarHBondContact O-CG 3.47Å; C45-R48 PolarHBondContact O-N 3.19Å; R48-H52 CarbonylContact O-C 3.58Å; R48-H52 WeakPolarHBondContact O-CA 3.4Å; R48-H52 PolarHBondContact O-N 3.13Å; R48-C53 VanDerWaalsContact CA-O 3.32Å; R48-C53 WeakPolarHBondContact CA-O 3.32Å; R48-C53 WeakPolarHBondContact CB-O 3.45Å; R48-C53 PolarHBondContact O-N 2.89Å
49T87.8Confident91.4Very high109 Ų10958 Ų5867%0.66927%0.272SS*.THydrogen-bonded Turntrans-85.6-41.9-178.9-54.50000111K47K47-T49 PolarHBondContact O-N 3.48Å
50A89.2Confident91.4Very high81 Ų8150.2 Ų50.267%0.66925%0.246SC*.THydrogen-bonded Turntrans-75.5-32.2-176.200000113.1K47K47-A50 PolarHBondContact O-N 3.11Å; K47-A50 VanDerWaalsContact O-N 3.15Å
51H90.2Very high90.8Very high84 Ų8450.5 Ų50.539%0.38925%0.25SC..SBendtrans-118.111.4-176.8-69.3-92.7000113K47 C53 S74 H75K47-H51 PolarHBondContact O-N 2.91Å; H51-C53 HydrophobicContact CB-CB 4.37Å; H51-C53 PolarHBondContact O-N 2.85Å; H51-S74 PolarHBondContact O-OG 3.22Å; H51-H75 HydrophobicContact CB-CB 4.43Å; H51-H75 AromaticContact CG-CD2 3.91Å
52H91.2Very high89.5Confident155 Ų15553.6 Ų53.672%0.71828%0.281SS*.  trans48.928.5-171.4-59.6-69.8000113.2R48 K54R48-H52 CarbonylContact O-C 3.58Å; R48-H52 WeakPolarHBondContact O-CA 3.4Å; R48-H52 PolarHBondContact O-N 3.13Å; H52-K54 PolarHBondContact O-N 3.45Å
53C94.5Very high88.2Confident6 Ų654.9 Ų54.94%0.04129%0.292CS..  trans-70126.7-172.4-178.70000111C45 R48 H51 A55 S74C45-C53 HydrophobicContact CB-CB 4.3Å; R48-C53 VanDerWaalsContact CA-O 3.32Å; R48-C53 WeakPolarHBondContact CA-O 3.32Å; R48-C53 WeakPolarHBondContact CB-O 3.45Å; R48-C53 PolarHBondContact O-N 2.89Å; H51-C53 HydrophobicContact CB-CB 4.37Å; H51-C53 PolarHBondContact O-N 2.85Å; C53-A55 VanDerWaalsContact SG-CB 3.58Å; C53-S74 VanDerWaalsContact CA-OG 3.31Å; C53-S74 WeakPolarHBondContact CA-OG 3.3Å; C53-S74 WeakPolarHBondContact CB-OG 3.4Å
54K94.7Very high86.9Confident160 Ų16055.6 Ų55.670%0.69630%0.295SS*.  trans-100.24.3-179.1-62.1-177.3-177.4175.40113.4H52 R56 N71H52-K54 PolarHBondContact O-N 3.45Å; K54-R56 PolarHBondContact O-N 3.31Å; K54-N71 PolarHBondContact O-ND2 2.94Å
55A96Very high86.1Confident1 Ų158.8 Ų58.81%0.00831%0.312CS..  trans-61.113517800000111.1C45 C53 V70 H73C45-A55 HydrophobicContact CB-CB 4.2Å; C45-A55 PolarHBondContact N-O 3.26Å; C53-A55 VanDerWaalsContact SG-CB 3.58Å; A55-V70 CarbonylContact C-O 3.44Å; A55-V70 WeakPolarHBondContact CA-O 3.47Å; A55-H73 WeakPolarHBondContact CB-ND1 3.31Å
56R95.9Very high85.7Confident71 Ų7160.5 Ų60.527%0.26832%0.322SS..EExtended strand (participates in β ladder)trans-129.7156175.3-64.2-173.3176.3-126.82.6110.2D32 W43 R44 K54 Q69 V70D32-R56 IonicContact OD2-CZ 3.39Å; D32-R56 IonicContact OD2-NH1 3.76Å; D32-R56 PolarHBondContact OD2-NH1 3.16Å; D32-R56 IonicContact OD2-NH2 3.29Å; W43-R56 CarbonylContact O-C 3.44Å; W43-R56 WeakPolarHBondContact O-CA 3.39Å; W43-R56 VanDerWaalsContact O-CB 3.25Å; W43-R56 WeakPolarHBondContact O-CB 3.35Å; R44-R56 HydrophobicContact CG-CG 4.34Å; K54-R56 PolarHBondContact O-N 3.31Å; R56-Q69 WeakPolarHBondContact O-CA 3.17Å; R56-V70 HydrophobicContact CB-CB 4.16Å; R56-V70 PolarHBondContact N-O 3.28Å; R56-V70 PolarHBondContact O-N 2.91Å
57L94.7Very high85.6Confident0 Ų063.7 Ų63.70%034%0.339CS..EExtended strand (participates in β ladder)trans-126.4143.6176.2-161.565.2000109.5F22 H24 Y29 W43 T59 V66 Q69F22-L57 HydrophobicContact CD1-CD2 3.42Å; F22-L57 VanDerWaalsContact CD1-CD2 3.42Å; F22-L57 HydrophobicContact CE1-CD2 3.63Å; F22-L57 HydrophobicContact CG-CD2 4.46Å; H24-L57 HydrophobicContact CB-CD2 3.88Å; H24-L57 VanDerWaalsContact CD2-CD1 3.43Å; H24-L57 WeakPolarHBondContact CD2-CD1 3.32Å; Y29-L57 HydrophobicContact CD1-CB 3.72Å; Y29-L57 HydrophobicContact CD2-CD2 4.03Å; Y29-L57 HydrophobicContact CE1-CB 3.68Å; Y29-L57 HydrophobicContact CE2-CD2 4Å; Y29-L57 HydrophobicContact CG-CB 4.17Å; Y29-L57 HydrophobicContact CG-CD2 4.37Å; W43-L57 HydrophobicContact CB-CB 4.02Å; W43-L57 VanDerWaalsContact CD1-O 3.26Å; W43-L57 HydrophobicContact CG-CB 4.33Å; W43-L57 PolarHBondContact N-O 2.87Å; W43-L57 PolarHBondContact O-N 3.33Å; L57-T59 HydrophobicContact CD2-CG2 4.13Å; L57-T59 HydrophobicContact CG-CG2 4.26Å; L57-V66 HydrophobicContact CD1-CB 4.49Å; L57-V66 HydrophobicContact CD1-CG1 3.5Å; L57-V66 VanDerWaalsContact CD1-CG1 3.5Å; L57-V66 HydrophobicContact CD1-CG2 4.21Å; L57-V66 HydrophobicContact CD2-CG2 4Å; L57-V66 HydrophobicContact CG-CG1 4.21Å; L57-V66 HydrophobicContact CG-CG2 4.31Å; L57-Q69 HydrophobicContact CD1-CB 4.19Å
58H93.6Very high85.6Confident27 Ų2767.2 Ų67.213%0.12535%0.354CS..EExtended strand (participates in β ladder)trans-117.5126.4173.5-68.1-151.7000107.4I40 K41 F42 L67 K68I40-H58 HydrophobicContact CG2-CB 4.1Å; K41-H58 WeakPolarHBondContact O-CA 3.5Å; F42-H58 HydrophobicContact CD1-CB 4.33Å; F42-H58 AromaticContact CD1-CD2 3.64Å; F42-H58 AromaticContact CD1-CE1 3.54Å; F42-H58 AromaticContact CD1-CG 3.6Å; F42-H58 AromaticContact CD1-ND1 3.55Å; F42-H58 AromaticContact CD1-NE2 3.62Å; F42-H58 AromaticContact CE1-CE1 3.3Å; F42-H58 WeakPolarHBondContact CE1-CE1 3.34Å; F42-H58 AromaticContact CE1-CG 3.79Å; F42-H58 AromaticContact CE1-ND1 3.24Å; F42-H58 WeakPolarHBondContact CE1-ND1 3.49Å; F42-H58 AromaticContact CE1-NE2 3.88Å; H58-L67 HydrophobicContact CB-CB 4.37Å; H58-L67 PolarHBondContact O-N 2.72Å; H58-K68 HydrophobicContact CB-CG 3.81Å; H58-K68 WeakPolarHBondContact CE1-CE 3.42Å; H58-K68 PolarHBondContact N-O 3.21Å; H58-K68 WeakPolarHBondContact ND1-CE 3.48Å; H58-K68 PolarHBondContact O-N 3.2Å
59T87Confident85.7Confident0 Ų066.6 Ų66.60%036%0.355CS..EExtended strand (participates in β ladder)trans-125.5148.2176.267.70000110.8F22 I40 K41 W43 L57 K65 V66F22-T59 HydrophobicContact CD1-CG2 4.44Å; F22-T59 HydrophobicContact CE1-CG2 4Å; F22-T59 HydrophobicContact CE2-CG2 4.18Å; F22-T59 HydrophobicContact CZ-CG2 3.86Å; I40-T59 CarbonylContact C-O 3.57Å; I40-T59 VanDerWaalsContact CA-O 3.31Å; I40-T59 WeakPolarHBondContact CA-O 3.25Å; I40-T59 WeakPolarHBondContact CG2-O 3.39Å; K41-T59 PolarHBondContact N-O 3.06Å; K41-T59 PolarHBondContact O-N 3.38Å; W43-T59 PolarHBondContact NE1-OG1 3.37Å; L57-T59 HydrophobicContact CD2-CG2 4.13Å; L57-T59 HydrophobicContact CG-CG2 4.26Å; T59-K65 CarbonylContact C-O 3.52Å; T59-K65 VanDerWaalsContact CA-O 3.24Å; T59-K65 WeakPolarHBondContact CA-O 3.41Å; T59-V66 HydrophobicContact CG2-CG2 4.25Å
60S81.6Confident86Confident21 Ų2163.5 Ų63.515%0.14734%0.335CS..EExtended strand (participates in β ladder)trans-65.2137.7171173.40000110.1A62 T63 N64 K65S60-A62 PolarHBondContact OG-N 3.01Å; S60-T63 WeakPolarHBondContact CB-OG1 3.35Å; S60-T63 PolarHBondContact OG-N 2.96Å; S60-T63 PolarHBondContact OG-OG1 3.06Å; S60-T63 VanDerWaalsContact OG-OG1 3.1Å; S60-N64 WeakPolarHBondContact O-CA 3.32Å; S60-N64 PolarHBondContact O-N 3.31Å; S60-N64 PolarHBondContact O-OD1 2.8Å; S60-K65 PolarHBondContact N-O 3.33Å
61V73.4Confident86.2Confident53 Ų5364 Ų6432%0.32133%0.327SS..THydrogen-bonded Turntrans-68.3-39.9172.4171.50000111F34 E38 R39 K41F34-V61 HydrophobicContact CD1-CG2 3.77Å; F34-V61 HydrophobicContact CE1-CG2 3.65Å; E38-V61 WeakPolarHBondContact O-CG2 3.35Å; R39-V61 VanDerWaalsContact C-CG2 3.45Å; R39-V61 PolarHBondContact O-N 2.8Å; K41-V61 HydrophobicContact CG-CG2 3.72Å
62A62.4Low86.3Confident94 Ų9466.4 Ų66.478%0.77734%0.343SS*.THydrogen-bonded Turntrans-73.1-36.3-176.100000113.3S60S60-A62 PolarHBondContact OG-N 3.01Å
63T64.7Low86.5Confident60 Ų6060.3 Ų60.337%0.36832%0.315SS..THydrogen-bonded Turntrans-119.6-8.7-172.262.20000113.8S60 K65 H180S60-T63 WeakPolarHBondContact CB-OG1 3.35Å; S60-T63 PolarHBondContact OG-N 2.96Å; S60-T63 PolarHBondContact OG-OG1 3.06Å; S60-T63 VanDerWaalsContact OG-OG1 3.1Å; T63-K65 PolarHBondContact O-N 2.93Å; T63-H180 PolarHBondContact O-CD2 2.69Å
64N66.8Low86.4Confident14 Ų1463.4 Ų63.48%0.07534%0.336CS..  trans52.37.9-172.6-81.5-46000115.4S60 V66 D151 H180S60-N64 WeakPolarHBondContact O-CA 3.32Å; S60-N64 PolarHBondContact O-N 3.31Å; S60-N64 PolarHBondContact O-OD1 2.8Å; N64-V66 PolarHBondContact O-N 2.83Å; N64-D151 PolarHBondContact ND2-OD2 2.98Å; N64-H180 WeakPolarHBondContact CB-CE1 3.5Å; N64-H180 WeakPolarHBondContact CB-NE2 3.42Å; N64-H180 PolarHBondContact ND2-CE1 3.47Å
65K76.9Confident86.3Confident150 Ų15057 Ų5765%0.65231%0.309SS*.  trans-59135.3171.8-72.9-174.8177.4-179.50109.4T59 S60 T63 L67T59-K65 CarbonylContact C-O 3.52Å; T59-K65 VanDerWaalsContact CA-O 3.24Å; T59-K65 WeakPolarHBondContact CA-O 3.41Å; S60-K65 PolarHBondContact N-O 3.33Å; T63-K65 PolarHBondContact O-N 2.93Å; K65-L67 PolarHBondContact O-N 2.77Å; K65-L67 VanDerWaalsContact O-N 3.14Å
66V86.1Confident86.1Confident37 Ų3760.3 Ų60.322%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-63.9114.5170.3174.70000107.9K10 F22 L57 T59 N64K10-V66 HydrophobicContact CD-CG2 3.75Å; F22-V66 HydrophobicContact CE1-CG2 3.95Å; F22-V66 HydrophobicContact CZ-CG2 4.35Å; L57-V66 HydrophobicContact CD1-CB 4.49Å; L57-V66 HydrophobicContact CD1-CG1 3.5Å; L57-V66 VanDerWaalsContact CD1-CG1 3.5Å; L57-V66 HydrophobicContact CD1-CG2 4.21Å; L57-V66 HydrophobicContact CD2-CG2 4Å; L57-V66 HydrophobicContact CG-CG1 4.21Å; L57-V66 HydrophobicContact CG-CG2 4.31Å; T59-V66 HydrophobicContact CG2-CG2 4.25Å; N64-V66 PolarHBondContact O-N 2.83Å
67L88.7Confident85.7Confident91 Ų9160.6 Ų60.648%0.47635%0.347SS..EExtended strand (participates in β ladder)trans-82.8-40.6176.9-60.8178.3000110.5I40 H58 K65I40-L67 HydrophobicContact CB-CD1 4.45Å; I40-L67 HydrophobicContact CD1-CD1 3.89Å; I40-L67 HydrophobicContact CG1-CD1 3.78Å; I40-L67 HydrophobicContact CG2-CD1 4.01Å; H58-L67 HydrophobicContact CB-CB 4.37Å; H58-L67 PolarHBondContact O-N 2.72Å; K65-L67 PolarHBondContact O-N 2.77Å; K65-L67 VanDerWaalsContact O-N 3.14Å
68K91.5Very high85.3Confident113 Ų11363 Ų6349%0.49136%0.36SS..EExtended strand (participates in β ladder)trans-166152.8173.659.6179.5-176.7-176.70112.5H58 V70H58-K68 HydrophobicContact CB-CG 3.81Å; H58-K68 WeakPolarHBondContact CE1-CE 3.42Å; H58-K68 PolarHBondContact N-O 3.21Å; H58-K68 WeakPolarHBondContact ND1-CE 3.48Å; H58-K68 PolarHBondContact O-N 3.2Å; K68-V70 HydrophobicContact CD-CG2 4.15Å; K68-V70 HydrophobicContact CG-CG2 4.29Å
69Q93.4Very high84.6Confident71 Ų7164 Ų6433%0.33238%0.377SS..EExtended strand (participates in β ladder)trans-93.8142159.9178.2167.6-6800109.6Y29 R56 L57 N71Y29-Q69 PolarHBondContact OH-OE1 3.47Å; Y29-Q69 VanDerWaalsContact OH-OE1 3.07Å; R56-Q69 WeakPolarHBondContact O-CA 3.17Å; L57-Q69 HydrophobicContact CD1-CB 4.19Å; Q69-N71 WeakPolarHBondContact CG-O 3.33Å; Q69-N71 PolarHBondContact NE2-O 3.49Å
70V93Very high84.2Confident44 Ų4467.4 Ų67.427%0.26740%0.395SS..EExtended strand (participates in β ladder)trans-122.5119.2176.9174.90000108.1A55 R56 K68A55-V70 CarbonylContact C-O 3.44Å; A55-V70 WeakPolarHBondContact CA-O 3.47Å; R56-V70 HydrophobicContact CB-CB 4.16Å; R56-V70 PolarHBondContact N-O 3.28Å; R56-V70 PolarHBondContact O-N 2.91Å; K68-V70 HydrophobicContact CD-CG2 4.15Å; K68-V70 HydrophobicContact CG-CG2 4.29Å
71N94.2Very high84.3Confident93 Ų9370.2 Ų70.250%0.49740%0.403SS..SBendtrans66.1152.4-168.6-47.9-41.9000114.1K54 Q69K54-N71 PolarHBondContact O-ND2 2.94Å; Q69-N71 WeakPolarHBondContact CG-O 3.33Å; Q69-N71 PolarHBondContact NE2-O 3.49Å
72D93.1Very high84.5Confident134 Ų13468.7 Ų68.772%0.71739%0.393SS*.  trans-82.2157.9173-61.2-40.1000112
73H94.4Very high85.2Confident27 Ų2768.4 Ų68.413%0.12538%0.376CS..  trans-73.6141.7173.8-69.8-85.7000110.6Y27 Y29 A55 H75Y27-H73 HydrophobicContact CD1-CB 4.44Å; Y27-H73 AromaticContact CD1-CD2 3.9Å; Y27-H73 AromaticContact CD1-CE1 3.72Å; Y27-H73 AromaticContact CD1-CG 3.8Å; Y27-H73 AromaticContact CD1-ND1 3.73Å; Y27-H73 AromaticContact CD1-NE2 3.84Å; Y27-H73 AromaticContact CD2-CD2 3.5Å; Y27-H73 VanDerWaalsContact CD2-CD2 3.5Å; Y27-H73 WeakPolarHBondContact CD2-CD2 3.46Å; Y27-H73 AromaticContact CD2-NE2 3.34Å; Y27-H73 VanDerWaalsContact CD2-NE2 3.34Å; Y27-H73 WeakPolarHBondContact CD2-NE2 3.38Å; Y27-H73 HydrophobicContact CE1-CB 3.77Å; Y27-H73 AromaticContact CE1-CD2 3.78Å; Y27-H73 AromaticContact CE1-CG 3.57Å; Y27-H73 AromaticContact CE1-ND1 3.95Å; Y27-H73 AromaticContact CE2-CD2 3.42Å; Y27-H73 VanDerWaalsContact CE2-CD2 3.42Å; Y27-H73 WeakPolarHBondContact CE2-CD2 3.27Å; Y27-H73 AromaticContact CE2-NE2 3.8Å; Y27-H73 AromaticContact CG-CD2 3.73Å; Y27-H73 AromaticContact CG-CE1 3.53Å; Y27-H73 AromaticContact CG-NE2 3.35Å; Y27-H73 VanDerWaalsContact CG-NE2 3.35Å; Y27-H73 AromaticContact CZ-CD2 3.54Å; Y27-H73 AromaticContact CZ-CG 3.72Å; Y29-H73 AromaticContact CE1-CE1 3.85Å; Y29-H73 AromaticContact CZ-CE1 3.63Å; Y29-H73 AromaticContact CZ-NE2 3.49Å; Y29-H73 PolarHBondContact OH-CE1 3.33Å; Y29-H73 PolarHBondContact OH-NE2 3.34Å; A55-H73 WeakPolarHBondContact CB-ND1 3.31Å; H73-H75 AromaticContact ND1-CE1 3.76Å; H73-H75 AromaticContact ND1-NE2 3.72Å; H73-H75 PolarHBondContact O-N 3.19Å
74S92.7Very high85.8Confident70 Ų7066.8 Ų66.849%0.4937%0.365SS..SBendtrans-90.816.7174.156.30000112.4H51 C53H51-S74 PolarHBondContact O-OG 3.22Å; C53-S74 VanDerWaalsContact CA-OG 3.31Å; C53-S74 WeakPolarHBondContact CA-OG 3.3Å; C53-S74 WeakPolarHBondContact CB-OG 3.4Å
75H93Very high86.3Confident26 Ų2667 Ų6712%0.1237%0.369CS..SBendtrans-153.5158.7-178.959.378.2000110.3Y27 C45 K47 H51 H73Y27-H75 AromaticContact CD1-CE1 3.53Å; Y27-H75 AromaticContact CD1-ND1 3.94Å; Y27-H75 AromaticContact CE1-CE1 3.66Å; Y27-H75 AromaticContact CE1-ND1 3.67Å; Y27-H75 WeakPolarHBondContact CE1-O 3.36Å; Y27-H75 PolarHBondContact OH-O 3.36Å; C45-H75 PolarHBondContact SG-NE2 3.17Å; K47-H75 WeakPolarHBondContact CB-NE2 3.42Å; H51-H75 HydrophobicContact CB-CB 4.43Å; H51-H75 AromaticContact CG-CD2 3.91Å; H73-H75 AromaticContact ND1-CE1 3.76Å; H73-H75 AromaticContact ND1-NE2 3.72Å; H73-H75 PolarHBondContact O-N 3.19Å
76A90.2Very high86Confident71 Ų7161.3 Ų61.359%0.58735%0.349SS*.  trans-65.1155.7175.700000112.6
77P89.4Confident85.5Confident76 Ų7660.8 Ų60.849%0.49435%0.346SS..  trans-67.3156.4170.328.9-31.2000110.7Y27Y27-P77 HydrophobicContact CD1-CB 4.34Å; Y27-P77 HydrophobicContact CD2-CB 4.42Å; Y27-P77 VanDerWaalsContact CE1-CA 3.42Å; Y27-P77 HydrophobicContact CE1-CB 3.92Å; Y27-P77 HydrophobicContact CE2-CB 3.96Å; Y27-P77 VanDerWaalsContact OH-CD 3.3Å; Y27-P77 WeakPolarHBondContact OH-CD 3.24Å
78D86Confident84.9Confident51 Ų5156.5 Ų56.527%0.27332%0.324SS..  trans-139.174.7-172.3-171.3-13.3000108.8G26 K47 D80 R81 V82G26-D78 CarbonylContact O-C 3.52Å; G26-D78 PolarHBondContact O-N 3.3Å; K47-D78 IonicContact NZ-OD2 2.9Å; K47-D78 PolarHBondContact NZ-OD2 3.16Å; D78-D80 VanDerWaalsContact C-N 3.27Å; D78-D80 PolarHBondContact O-N 2.99Å; D78-R81 HydrophobicContact CB-CB 4.08Å; D78-R81 WeakPolarHBondContact O-CB 3.49Å; D78-R81 PolarHBondContact O-N 3.28Å; D78-R81 VanDerWaalsContact O-N 3.08Å; D78-R81 VanDerWaalsContact OD1-CB 3.26Å; D78-R81 WeakPolarHBondContact OD1-CB 3.49Å; D78-R81 PolarHBondContact OD1-N 3.46Å; D78-R81 WeakPolarHBondContact OD2-CB 3.32Å; D78-R81 WeakPolarHBondContact OD2-CD 3.33Å; D78-V82 PolarHBondContact O-N 3.39Å
79G79Confident84.1Confident47 Ų4752.7 Ų52.749%0.48531%0.31SS..Hα-helixtrans-59.5-37.3-176.100000112.8R81 V82 E83G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 2.88Å; G79-V82 WeakPolarHBondContact O-CB 3.37Å; G79-V82 PolarHBondContact O-N 3.35Å; G79-V82 VanDerWaalsContact O-N 3.16Å; G79-E83 PolarHBondContact O-N 3.33Å
80D77.5Confident82.9Confident72 Ų7250.8 Ų50.839%0.38531%0.305SS..Hα-helixtrans-57-44.3173.7-71.5-59.2000111.7D78 V82 E83 I84 K120D78-D80 VanDerWaalsContact C-N 3.27Å; D78-D80 PolarHBondContact O-N 2.99Å; D80-V82 VanDerWaalsContact C-N 3.3Å; D80-V82 PolarHBondContact O-N 2.89Å; D80-E83 PolarHBondContact O-N 3.35Å; D80-I84 HydrophobicContact CB-CD1 4.45Å; D80-I84 WeakPolarHBondContact O-CB 3.45Å; D80-I84 VanDerWaalsContact O-CD1 3.23Å; D80-I84 WeakPolarHBondContact O-CD1 3.43Å; D80-I84 WeakPolarHBondContact O-CG1 3.21Å; D80-I84 PolarHBondContact O-N 2.83Å; D80-K120 HydrophobicContact CB-CD 4.03Å; D80-K120 IonicContact OD1-NZ 3.75Å; D80-K120 PolarHBondContact OD1-NZ 3.27Å; D80-K120 IonicContact OD2-NZ 3.97Å; D80-K120 PolarHBondContact OD2-NZ 3.34Å
81R82.9Confident82.1Confident81 Ų8148.9 Ų48.931%0.30629%0.293SS..Hα-helixtrans-68.5-31.5-179.7-171.9173.4171.6-126.7-0.3112.4L28 D46 D78 G79 A85L28-R81 HydrophobicContact CD1-CG 4.13Å; D46-R81 VanDerWaalsContact CG-NH2 3.33Å; D46-R81 IonicContact OD1-CZ 3.67Å; D46-R81 IonicContact OD1-NH1 3.55Å; D46-R81 PolarHBondContact OD1-NH1 2.82Å; D46-R81 IonicContact OD1-NH2 3.19Å; D46-R81 PolarHBondContact OD1-NH2 3.28Å; D46-R81 IonicContact OD2-CZ 3.53Å; D46-R81 VanDerWaalsContact OD2-CZ 3.24Å; D46-R81 IonicContact OD2-NH1 3.27Å; D46-R81 PolarHBondContact OD2-NH1 2.89Å; D46-R81 IonicContact OD2-NH2 2.91Å; D46-R81 PolarHBondContact OD2-NH2 3.24Å; D78-R81 HydrophobicContact CB-CB 4.08Å; D78-R81 WeakPolarHBondContact O-CB 3.49Å; D78-R81 PolarHBondContact O-N 3.28Å; D78-R81 VanDerWaalsContact O-N 3.08Å; D78-R81 VanDerWaalsContact OD1-CB 3.26Å; D78-R81 WeakPolarHBondContact OD1-CB 3.49Å; D78-R81 PolarHBondContact OD1-N 3.46Å; D78-R81 WeakPolarHBondContact OD2-CB 3.32Å; D78-R81 WeakPolarHBondContact OD2-CD 3.33Å; G79-R81 VanDerWaalsContact C-N 3.3Å; G79-R81 PolarHBondContact O-N 2.88Å; R81-A85 VanDerWaalsContact O-CB 3.29Å; R81-A85 WeakPolarHBondContact O-CB 3.36Å; R81-A85 PolarHBondContact O-N 2.82Å
82V78.1Confident81Confident20 Ų2045.2 Ų45.212%0.12127%0.273CS..Hα-helixtrans-64.1-49.1171.1174.50000110.2F13 A23 L28 D78 G79 D80 I84 A85 A86F13-V82 HydrophobicContact CZ-CG1 4.05Å; A23-V82 HydrophobicContact CB-CG1 3.63Å; A23-V82 HydrophobicContact CB-CG2 4.4Å; L28-V82 HydrophobicContact CD2-CG2 3.99Å; L28-V82 HydrophobicContact CG-CG2 3.95Å; D78-V82 PolarHBondContact O-N 3.39Å; G79-V82 WeakPolarHBondContact O-CB 3.37Å; G79-V82 PolarHBondContact O-N 3.35Å; G79-V82 VanDerWaalsContact O-N 3.16Å; D80-V82 VanDerWaalsContact C-N 3.3Å; D80-V82 PolarHBondContact O-N 2.89Å; V82-I84 PolarHBondContact O-N 3.1Å; V82-A85 WeakPolarHBondContact O-CB 3.21Å; V82-A85 PolarHBondContact O-N 3.01Å; V82-A86 PolarHBondContact O-N 3.11Å
83E76.7Confident79.7Confident88 Ų8840.1 Ų40.141%0.41124%0.244SC..Hα-helixtrans-59.6-48.6178-169.5-168.3152.100111.4G79 D80 A85 A86 V87 T117G79-E83 PolarHBondContact O-N 3.33Å; D80-E83 PolarHBondContact O-N 3.35Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 3.45Å; E83-A86 WeakPolarHBondContact O-CB 3.27Å; E83-A86 PolarHBondContact O-N 2.8Å; E83-A86 VanDerWaalsContact O-N 3.14Å; E83-V87 WeakPolarHBondContact O-CG2 3.44Å; E83-V87 PolarHBondContact O-N 3.13Å; E83-T117 VanDerWaalsContact OE1-CG2 3.32Å; E83-T117 WeakPolarHBondContact OE1-CG2 3.45Å; E83-T117 PolarHBondContact OE1-OG1 2.73Å
84I79Confident78.4Confident27 Ų2741.2 Ų41.214%0.13825%0.249CC..Hα-helixtrans-60.4-39.3178-67.8157.1000111.3D80 V82 V87 C88 K120 M121D80-I84 HydrophobicContact CB-CD1 4.45Å; D80-I84 WeakPolarHBondContact O-CB 3.45Å; D80-I84 VanDerWaalsContact O-CD1 3.23Å; D80-I84 WeakPolarHBondContact O-CD1 3.43Å; D80-I84 WeakPolarHBondContact O-CG1 3.21Å; D80-I84 PolarHBondContact O-N 2.83Å; V82-I84 PolarHBondContact O-N 3.1Å; I84-V87 PolarHBondContact O-N 3.13Å; I84-C88 WeakPolarHBondContact O-CB 3.36Å; I84-C88 PolarHBondContact O-N 3.46Å; I84-C88 PolarHBondContact O-SG 3.06Å; I84-K120 HydrophobicContact CD1-CB 3.31Å; I84-K120 HydrophobicContact CD1-CD 4.28Å; I84-K120 HydrophobicContact CD1-CG 4.4Å; I84-K120 HydrophobicContact CG1-CB 4.18Å; I84-M121 HydrophobicContact CG2-SD 3.88Å
85A76.6Confident77.3Confident18 Ų1837.9 Ų37.915%0.14923%0.226CC..Hα-helixtrans-63.2-45.2176.600000111L28 R81 V82 E83 V87 C88 T89L28-A85 HydrophobicContact CD1-CB 4.02Å; R81-A85 VanDerWaalsContact O-CB 3.29Å; R81-A85 WeakPolarHBondContact O-CB 3.36Å; R81-A85 PolarHBondContact O-N 2.82Å; V82-A85 WeakPolarHBondContact O-CB 3.21Å; V82-A85 PolarHBondContact O-N 3.01Å; E83-A85 VanDerWaalsContact C-N 3.29Å; E83-A85 PolarHBondContact O-N 3.45Å; A85-V87 PolarHBondContact O-N 3.31Å; A85-C88 PolarHBondContact O-N 3.33Å; A85-T89 WeakPolarHBondContact O-CB 3.33Å; A85-T89 PolarHBondContact O-N 2.83Å; A85-T89 PolarHBondContact O-OG1 3.36Å
86A71.2Confident76Confident30 Ų3037.4 Ų37.425%0.24822%0.224CC..Hα-helixtrans-58.5-47.9175.700000111.6F13 V82 E83 T89 S90F13-A86 HydrophobicContact CD1-CB 4.24Å; F13-A86 HydrophobicContact CE1-CB 3.68Å; V82-A86 PolarHBondContact O-N 3.11Å; E83-A86 WeakPolarHBondContact O-CB 3.27Å; E83-A86 PolarHBondContact O-N 2.8Å; E83-A86 VanDerWaalsContact O-N 3.14Å; A86-T89 PolarHBondContact O-N 3.15Å; A86-S90 PolarHBondContact O-N 3Å
87V74.8Confident74.5Confident26 Ų2636.7 Ų36.716%0.15821%0.208CC..Hα-helixtrans-61.9-47.2177.81740000111.3E83 I84 A85 T89 S90 I91 L113 T117 M121E83-V87 WeakPolarHBondContact O-CG2 3.44Å; E83-V87 PolarHBondContact O-N 3.13Å; I84-V87 PolarHBondContact O-N 3.13Å; A85-V87 PolarHBondContact O-N 3.31Å; V87-T89 VanDerWaalsContact C-N 3.3Å; V87-T89 PolarHBondContact O-N 2.89Å; V87-S90 WeakPolarHBondContact O-CB 3.23Å; V87-S90 PolarHBondContact O-N 3.41Å; V87-I91 HydrophobicContact CG1-CD1 4.18Å; V87-I91 WeakPolarHBondContact O-CG1 3.5Å; V87-I91 PolarHBondContact O-N 3.5Å; V87-L113 HydrophobicContact CG1-CD1 3.74Å; V87-L113 HydrophobicContact CG1-CD2 3.57Å; V87-L113 HydrophobicContact CG1-CG 4.27Å; V87-L113 HydrophobicContact CG2-CD2 4.05Å; V87-T117 HydrophobicContact CG2-CG2 4.42Å; V87-M121 HydrophobicContact CB-CE 4.46Å; V87-M121 HydrophobicContact CB-SD 4.06Å; V87-M121 HydrophobicContact CG1-CE 3.63Å; V87-M121 HydrophobicContact CG1-SD 3.68Å
88C77.1Confident73.2Confident2 Ų235.2 Ų35.21%0.01420%0.198CC..Hα-helixtrans-58.9-43.4178.2-73.50000111.7I84 A85 I91 I92 M127I84-C88 WeakPolarHBondContact O-CB 3.36Å; I84-C88 PolarHBondContact O-N 3.46Å; I84-C88 PolarHBondContact O-SG 3.06Å; A85-C88 PolarHBondContact O-N 3.33Å; C88-I91 PolarHBondContact O-N 3.21Å; C88-I92 VanDerWaalsContact O-CG1 3.31Å; C88-I92 WeakPolarHBondContact O-CG1 3.47Å; C88-I92 PolarHBondContact O-N 3.42Å; C88-M127 HydrophobicContact CB-CE 4.05Å; C88-M127 HydrophobicContact CB-SD 4.16Å; C88-M127 VanDerWaalsContact SG-SD 3.66Å
89T73.2Confident71.9Confident32 Ų3243.4 Ų43.420%0.19623%0.231CC..Hα-helixtrans-63.9-41.8177.2-67.60000111.1A85 A86 V87 I91 I92 R93A85-T89 WeakPolarHBondContact O-CB 3.33Å; A85-T89 PolarHBondContact O-N 2.83Å; A85-T89 PolarHBondContact O-OG1 3.36Å; A86-T89 PolarHBondContact O-N 3.15Å; V87-T89 VanDerWaalsContact C-N 3.3Å; V87-T89 PolarHBondContact O-N 2.89Å; T89-I91 PolarHBondContact O-N 3.18Å; T89-I92 PolarHBondContact O-N 3.19Å; T89-R93 VanDerWaalsContact O-CB 3.32Å; T89-R93 WeakPolarHBondContact O-CB 3.45Å; T89-R93 PolarHBondContact O-N 3.16Å
90S69.7Low71Confident32 Ų3243.4 Ų43.422%0.22423%0.227CC..Hα-helixtrans-58-46.2173.7172.50000112.2A86 V87 R93 Q94A86-S90 PolarHBondContact O-N 3Å; V87-S90 WeakPolarHBondContact O-CB 3.23Å; V87-S90 PolarHBondContact O-N 3.41Å; S90-R93 PolarHBondContact O-N 2.91Å; S90-Q94 WeakPolarHBondContact O-CB 3.31Å; S90-Q94 PolarHBondContact O-N 3.36Å
91I74.6Confident70.6Confident3 Ų347.6 Ų47.62%0.01524%0.241CC..Hα-helixtrans-62-47.6178.7-66.8177.7000111.4V87 C88 T89 R93 Q94 V95 V106 A109 F110 M121 M127V87-I91 HydrophobicContact CG1-CD1 4.18Å; V87-I91 WeakPolarHBondContact O-CG1 3.5Å; V87-I91 PolarHBondContact O-N 3.5Å; C88-I91 PolarHBondContact O-N 3.21Å; T89-I91 PolarHBondContact O-N 3.18Å; I91-R93 VanDerWaalsContact C-N 3.27Å; I91-R93 PolarHBondContact O-N 3.33Å; I91-Q94 PolarHBondContact O-N 3.26Å; I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 2.85Å; I91-V106 HydrophobicContact CG2-CB 4.39Å; I91-V106 HydrophobicContact CG2-CG2 3.73Å; I91-A109 HydrophobicContact CD1-CB 3.67Å; I91-A109 HydrophobicContact CG1-CB 3.52Å; I91-F110 HydrophobicContact CD1-CD2 4.08Å; I91-F110 HydrophobicContact CD1-CE2 3.83Å; I91-M121 HydrophobicContact CD1-CE 3.64Å; I91-M127 HydrophobicContact CB-CE 3.85Å; I91-M127 HydrophobicContact CD1-CE 4.29Å; I91-M127 HydrophobicContact CG2-CE 3.79Å
92I72.6Confident69.8Low16 Ų1645.4 Ų45.48%0.08224%0.238CC..Hα-helixtrans-57-46.6178.9-73.2164.8000110.1C88 T89 V95 Q96 M127 R130 V131 L134C88-I92 VanDerWaalsContact O-CG1 3.31Å; C88-I92 WeakPolarHBondContact O-CG1 3.47Å; C88-I92 PolarHBondContact O-N 3.42Å; T89-I92 PolarHBondContact O-N 3.19Å; I92-V95 PolarHBondContact O-N 3.33Å; I92-Q96 WeakPolarHBondContact O-CG 3.33Å; I92-Q96 PolarHBondContact O-N 2.95Å; I92-M127 HydrophobicContact CG1-CE 4.18Å; I92-R130 HydrophobicContact CD1-CG 4.05Å; I92-V131 HydrophobicContact CG1-CG2 3.94Å; I92-L134 HydrophobicContact CD1-CD1 3.79Å; I92-L134 HydrophobicContact CG1-CD1 4.24Å; I92-L134 HydrophobicContact CG2-CD1 3.65Å
93R65.9Low69.4Low27 Ų2750.3 Ų50.310%0.10226%0.259CS..Hα-helixtrans-65.8-44.1-179.6-179.7-178.4155.6156.17111.9T89 S90 I91 V95 Q96 E97 A154T89-R93 VanDerWaalsContact O-CB 3.32Å; T89-R93 WeakPolarHBondContact O-CB 3.45Å; T89-R93 PolarHBondContact O-N 3.16Å; S90-R93 PolarHBondContact O-N 2.91Å; I91-R93 VanDerWaalsContact C-N 3.27Å; I91-R93 PolarHBondContact O-N 3.33Å; R93-V95 PolarHBondContact O-N 2.97Å; R93-Q96 WeakPolarHBondContact O-CA 3.33Å; R93-Q96 WeakPolarHBondContact O-CB 3.39Å; R93-Q96 PolarHBondContact O-N 3.42Å; R93-E97 HydrophobicContact CG-CG 4.28Å; R93-E97 IonicContact CZ-OE1 2.8Å; R93-E97 VanDerWaalsContact CZ-OE1 3.25Å; R93-E97 IonicContact NE-OE1 3.07Å; R93-E97 PolarHBondContact NE-OE1 2.8Å; R93-E97 IonicContact NE-OE2 3.29Å; R93-E97 IonicContact NH2-OE1 3.31Å; R93-E97 PolarHBondContact NH2-OE1 3.5Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 3.34Å; R93-A154 PolarHBondContact NH1-O 3.13Å
94Q66.5Low69.2Low50 Ų5051.6 Ų51.623%0.23427%0.267CS..Hα-helixtrans-59.9-36.8177-167.4-176.9-1.600111.5S90 I91 Q96 E97 T98 V105S90-Q94 WeakPolarHBondContact O-CB 3.31Å; S90-Q94 PolarHBondContact O-N 3.36Å; I91-Q94 PolarHBondContact O-N 3.26Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q94-E97 PolarHBondContact O-N 2.71Å; Q94-T98 HydrophobicContact CG-CG2 4.23Å; Q94-T98 WeakPolarHBondContact O-CB 3.41Å; Q94-T98 VanDerWaalsContact O-CG2 3.26Å; Q94-T98 WeakPolarHBondContact O-CG2 3.34Å; Q94-T98 PolarHBondContact O-N 3.47Å; Q94-T98 VanDerWaalsContact O-N 3.11Å; Q94-T98 PolarHBondContact O-OG1 2.86Å; Q94-V105 HydrophobicContact CB-CG1 3.75Å; Q94-V105 HydrophobicContact CG-CG1 3.53Å
95V69.5Low68.8Low0 Ų050.6 Ų50.60%026%0.262CS..Hα-helixtrans-64.7-36.7173.8-179.90000111.6I91 I92 R93 P102 V105 V106 V131 M135I91-V95 WeakPolarHBondContact O-CG2 3.3Å; I91-V95 PolarHBondContact O-N 2.85Å; I92-V95 PolarHBondContact O-N 3.33Å; R93-V95 PolarHBondContact O-N 2.97Å; V95-P102 HydrophobicContact CG1-CB 3.56Å; V95-P102 HydrophobicContact CG1-CG 3.59Å; V95-V105 HydrophobicContact CG2-CB 3.78Å; V95-V105 HydrophobicContact CG2-CG1 3.76Å; V95-V105 HydrophobicContact CG2-CG2 4.47Å; V95-V106 HydrophobicContact CG2-CG2 4.22Å; V95-V131 HydrophobicContact CB-CG1 3.89Å; V95-V131 HydrophobicContact CG1-CG1 3.48Å; V95-V131 VanDerWaalsContact CG1-CG1 3.48Å; V95-V131 HydrophobicContact CG2-CG1 3.97Å; V95-V131 HydrophobicContact CG2-CG2 4.06Å; V95-M135 HydrophobicContact CG1-CE 3.57Å; V95-M135 HydrophobicContact CG1-SD 4.08Å
96Q65.2Low68.8Low16 Ų1650 Ų508%0.07526%0.256CS..Hα-helixtrans-73.1-32.9-180-68.5169.6-20.900112.7I92 R93 Q94 R138I92-Q96 WeakPolarHBondContact O-CG 3.33Å; I92-Q96 PolarHBondContact O-N 2.95Å; R93-Q96 WeakPolarHBondContact O-CA 3.33Å; R93-Q96 WeakPolarHBondContact O-CB 3.39Å; R93-Q96 PolarHBondContact O-N 3.42Å; Q94-Q96 VanDerWaalsContact C-N 3.3Å; Q94-Q96 PolarHBondContact O-N 3.44Å; Q96-R138 VanDerWaalsContact NE2-NH1 3.13Å; Q96-R138 VanDerWaalsContact OE1-NH1 3.15Å
97E60.1Low69.2Low56 Ų5654.3 Ų54.326%0.26227%0.27SS..Hα-helixtrans-86-18.8-177.1-68.2173.6156.800112.9R93 Q94 W413R93-E97 HydrophobicContact CG-CG 4.28Å; R93-E97 IonicContact CZ-OE1 2.8Å; R93-E97 VanDerWaalsContact CZ-OE1 3.25Å; R93-E97 IonicContact NE-OE1 3.07Å; R93-E97 PolarHBondContact NE-OE1 2.8Å; R93-E97 IonicContact NE-OE2 3.29Å; R93-E97 IonicContact NH2-OE1 3.31Å; R93-E97 PolarHBondContact NH2-OE1 3.5Å; R93-E97 WeakPolarHBondContact O-CG 3.48Å; R93-E97 PolarHBondContact O-N 3.34Å; Q94-E97 PolarHBondContact O-N 2.71Å; E97-W413 VanDerWaalsContact CD-NE1 3.26Å; E97-W413 PolarHBondContact OE1-NE1 2.92Å; E97-W413 PolarHBondContact OE2-NE1 3.5Å
98T61.1Low69.3Low45 Ų4556.7 Ų56.728%0.27628%0.279SS..  trans-102.8141.9-177.8600000111.7Q94 A100 V105Q94-T98 HydrophobicContact CG-CG2 4.23Å; Q94-T98 WeakPolarHBondContact O-CB 3.41Å; Q94-T98 VanDerWaalsContact O-CG2 3.26Å; Q94-T98 WeakPolarHBondContact O-CG2 3.34Å; Q94-T98 PolarHBondContact O-N 3.47Å; Q94-T98 VanDerWaalsContact O-N 3.11Å; Q94-T98 PolarHBondContact O-OG1 2.86Å; T98-A100 PolarHBondContact O-N 3.16Å; T98-V105 WeakPolarHBondContact OG1-CG2 3.47Å
99K58.8Low69.2Low223 Ų22357.4 Ų57.497%0.9729%0.285SS*.SBendtrans-73.3-1.8167.3-65.1-172.9-179.8-178.30112.7
100A59.9Low69.5Low48 Ų4856.6 Ų56.640%0.39728%0.279SS..SBendtrans-69.5151.1-178.700000110.8T98 P102 V105T98-A100 PolarHBondContact O-N 3.16Å; A100-P102 WeakPolarHBondContact O-CD 3.3Å; A100-V105 HydrophobicContact CB-CG2 3.82Å
101K68.6Low70Confident159 Ų15963.7 Ų63.769%0.69130%0.3SS*.  trans-57.2126.9175.3-68.6-174.9-179.9179.20109Q103 M104 V105K101-Q103 PolarHBondContact O-N 3.43Å; K101-M104 HydrophobicContact CB-CG 4.23Å; K101-M104 WeakPolarHBondContact O-CB 3.3Å; K101-M104 PolarHBondContact O-N 3Å; K101-V105 PolarHBondContact O-N 3.16Å
102P67.6Low70Confident36 Ų3668.2 Ų68.223%0.23432%0.321CS..Hα-helixtrans-45-39.1-180-36.938.1000115.3V95 A100 M104 V105 V106 V131 M135V95-P102 HydrophobicContact CG1-CB 3.56Å; V95-P102 HydrophobicContact CG1-CG 3.59Å; A100-P102 WeakPolarHBondContact O-CD 3.3Å; P102-M104 VanDerWaalsContact C-N 3.33Å; P102-M104 PolarHBondContact O-N 3.45Å; P102-V105 PolarHBondContact O-N 2.84Å; P102-V106 WeakPolarHBondContact O-CG2 3.11Å; P102-V106 PolarHBondContact O-N 2.75Å; P102-V131 HydrophobicContact CB-CG1 4.08Å; P102-M135 HydrophobicContact CG-CE 4.18Å; P102-M135 HydrophobicContact CG-SD 3.89Å
103Q68.7Low70Confident123 Ų12368.6 Ų68.658%0.57532%0.323SS*.Hα-helixtrans-62.9-36.6178-75.2178.5-31.500113.2K101 K107 W128K101-Q103 PolarHBondContact O-N 3.43Å; Q103-K107 WeakPolarHBondContact O-CB 3.34Å; Q103-K107 PolarHBondContact O-N 3.05Å; Q103-W128 HydrophobicContact CG-CG 4.5Å
104M72.5Confident70.3Confident114 Ų11471 Ų7156%0.56234%0.343SS*.Hα-helixtrans-70.2-41178.7-66.2-58.9-6700110.8K101 P102 K107 E108K101-M104 HydrophobicContact CB-CG 4.23Å; K101-M104 WeakPolarHBondContact O-CB 3.3Å; K101-M104 PolarHBondContact O-N 3Å; P102-M104 VanDerWaalsContact C-N 3.33Å; P102-M104 PolarHBondContact O-N 3.45Å; M104-K107 PolarHBondContact O-N 2.79Å; M104-E108 VanDerWaalsContact O-CB 3.32Å; M104-E108 WeakPolarHBondContact O-CB 3.27Å; M104-E108 PolarHBondContact O-N 3.13Å
105V71Confident70.6Confident7 Ų775.6 Ų75.64%0.04236%0.362CS..Hα-helixtrans-64-46.6177.4-175.30000111.1Q94 V95 T98 A100 K101 P102 K107 E108 A109Q94-V105 HydrophobicContact CB-CG1 3.75Å; Q94-V105 HydrophobicContact CG-CG1 3.53Å; V95-V105 HydrophobicContact CG2-CB 3.78Å; V95-V105 HydrophobicContact CG2-CG1 3.76Å; V95-V105 HydrophobicContact CG2-CG2 4.47Å; T98-V105 WeakPolarHBondContact OG1-CG2 3.47Å; A100-V105 HydrophobicContact CB-CG2 3.82Å; K101-V105 PolarHBondContact O-N 3.16Å; P102-V105 PolarHBondContact O-N 2.84Å; V105-K107 PolarHBondContact O-N 2.71Å; V105-E108 PolarHBondContact O-N 2.84Å; V105-A109 WeakPolarHBondContact O-CB 3.28Å; V105-A109 PolarHBondContact O-N 3.35Å
106V75.7Confident70.8Confident4 Ų479.6 Ų79.62%0.02439%0.388CS..Hα-helixtrans-62.7-43.6175.7175.20000110.8I91 V95 P102 E108 F110 R124 M127 V131I91-V106 HydrophobicContact CG2-CB 4.39Å; I91-V106 HydrophobicContact CG2-CG2 3.73Å; V95-V106 HydrophobicContact CG2-CG2 4.22Å; P102-V106 WeakPolarHBondContact O-CG2 3.11Å; P102-V106 PolarHBondContact O-N 2.75Å; V106-E108 PolarHBondContact O-N 3.4Å; V106-F110 HydrophobicContact CG1-CD2 4.07Å; V106-F110 HydrophobicContact CG1-CE2 4.02Å; V106-F110 WeakPolarHBondContact O-CD2 3.47Å; V106-F110 PolarHBondContact O-N 3.34Å; V106-F110 VanDerWaalsContact O-N 3.11Å; V106-R124 HydrophobicContact CG1-CG 4.41Å; V106-M127 HydrophobicContact CG1-CB 3.94Å; V106-V131 HydrophobicContact CG2-CG2 4.38Å
107K79.6Confident71.1Confident122 Ų12279.4 Ų79.453%0.5339%0.388SS..Hα-helixtrans-61-45.8178.8-177.3-178.3176.5-175.20111.3Q103 M104 V105 F110 R111Q103-K107 WeakPolarHBondContact O-CB 3.34Å; Q103-K107 PolarHBondContact O-N 3.05Å; M104-K107 PolarHBondContact O-N 2.79Å; V105-K107 PolarHBondContact O-N 2.71Å; K107-F110 PolarHBondContact O-N 3.45Å; K107-R111 PolarHBondContact O-N 3.15Å
108E78.3Confident71.9Confident76 Ų7681.2 Ų81.236%0.35539%0.392SS..Hα-helixtrans-68.7-42.2-178.2-169.459.6-162.300111.6M104 V105 V106 F110 R111 H112M104-E108 VanDerWaalsContact O-CB 3.32Å; M104-E108 WeakPolarHBondContact O-CB 3.27Å; M104-E108 PolarHBondContact O-N 3.13Å; V105-E108 PolarHBondContact O-N 2.84Å; V106-E108 PolarHBondContact O-N 3.4Å; E108-F110 VanDerWaalsContact C-N 3.3Å; E108-F110 PolarHBondContact O-N 2.89Å; E108-R111 VanDerWaalsContact O-CB 3.31Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 3.1Å; E108-H112 PolarHBondContact O-CD2 3.19Å; E108-H112 VanDerWaalsContact O-CD2 3.25Å; E108-H112 PolarHBondContact O-N 3.4Å; E108-H112 IonicContact OE1-CD2 3.95Å; E108-H112 IonicContact OE1-CE1 3.86Å; E108-H112 IonicContact OE1-NE2 2.7Å; E108-H112 PolarHBondContact OE1-NE2 2.99Å
109A73.3Confident72.8Confident16 Ų1689.3 Ų89.313%0.13242%0.418CS..Hα-helixtrans-58.7-43175.500000111.8I91 V105 R111 H112 L113I91-A109 HydrophobicContact CD1-CB 3.67Å; I91-A109 HydrophobicContact CG1-CB 3.52Å; V105-A109 WeakPolarHBondContact O-CB 3.28Å; V105-A109 PolarHBondContact O-N 3.35Å; A109-R111 VanDerWaalsContact C-N 3.26Å; A109-R111 PolarHBondContact O-N 3Å; A109-H112 PolarHBondContact O-N 2.94Å; A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 2.93Å
110F80.7Confident73.9Confident16 Ų1683.6 Ų83.67%0.0739%0.393CS..Hα-helixtrans-63-32176.6-88.9-111.8000112.9I91 V106 K107 E108 H112 L113 R118 M121 P122 R124 M127I91-F110 HydrophobicContact CD1-CD2 4.08Å; I91-F110 HydrophobicContact CD1-CE2 3.83Å; V106-F110 HydrophobicContact CG1-CD2 4.07Å; V106-F110 HydrophobicContact CG1-CE2 4.02Å; V106-F110 WeakPolarHBondContact O-CD2 3.47Å; V106-F110 PolarHBondContact O-N 3.34Å; V106-F110 VanDerWaalsContact O-N 3.11Å; K107-F110 PolarHBondContact O-N 3.45Å; E108-F110 VanDerWaalsContact C-N 3.3Å; E108-F110 PolarHBondContact O-N 2.89Å; F110-H112 VanDerWaalsContact C-N 3.3Å; F110-H112 PolarHBondContact O-N 2.8Å; F110-L113 PolarHBondContact O-N 3.44Å; F110-R118 HydrophobicContact CD1-CG 4.13Å; F110-R118 PolarHBondContact O-NE 2.87Å; F110-R118 PolarHBondContact O-NH2 3.06Å; F110-M121 HydrophobicContact CE1-CB 3.78Å; F110-M121 HydrophobicContact CE2-CE 3.88Å; F110-M121 HydrophobicContact CZ-CB 3.84Å; F110-M121 HydrophobicContact CZ-CE 3.8Å; F110-M121 HydrophobicContact CZ-CG 4.44Å; F110-P122 WeakPolarHBondContact CE1-O 3.47Å; F110-P122 WeakPolarHBondContact CZ-O 3.38Å; F110-R124 HydrophobicContact CB-CG 4.49Å; F110-R124 HydrophobicContact CD1-CG 3.92Å; F110-R124 HydrophobicContact CD2-CG 4.19Å; F110-R124 HydrophobicContact CE1-CG 4.19Å; F110-R124 HydrophobicContact CE2-CG 4.42Å; F110-R124 HydrophobicContact CG-CG 3.92Å; F110-R124 HydrophobicContact CZ-CG 4.43Å; F110-M127 HydrophobicContact CE2-CB 4.46Å; F110-M127 HydrophobicContact CE2-CG 3.97Å; F110-M127 HydrophobicContact CZ-CG 4.02Å
111R79.7Confident74.8Confident180 Ų18082 Ų8268%0.67938%0.378SS*.Hα-helixtrans-64.5-33.8-179-169.2-178.6-179180-0.2112.6K107 E108 A109 R118K107-R111 PolarHBondContact O-N 3.15Å; E108-R111 VanDerWaalsContact O-CB 3.31Å; E108-R111 WeakPolarHBondContact O-CB 3.48Å; E108-R111 PolarHBondContact O-N 3.1Å; A109-R111 VanDerWaalsContact C-N 3.26Å; A109-R111 PolarHBondContact O-N 3Å; R111-R118 PolarHBondContact O-NH2 2.99Å
112H74.1Confident75.4Confident98 Ų9876.5 Ų76.545%0.45436%0.358SS..Hα-helixtrans-92.3-6.9-177.2-65.1-62.9000114.3E108 A109 F110 K159E108-H112 PolarHBondContact O-CD2 3.19Å; E108-H112 VanDerWaalsContact O-CD2 3.25Å; E108-H112 PolarHBondContact O-N 3.4Å; E108-H112 IonicContact OE1-CD2 3.95Å; E108-H112 IonicContact OE1-CE1 3.86Å; E108-H112 IonicContact OE1-NE2 2.7Å; E108-H112 PolarHBondContact OE1-NE2 2.99Å; A109-H112 PolarHBondContact O-N 2.94Å; F110-H112 VanDerWaalsContact C-N 3.3Å; F110-H112 PolarHBondContact O-N 2.8Å; H112-K159 PolarHBondContact CE1-NZ 2.94Å; H112-K159 VanDerWaalsContact CE1-NZ 3.28Å; H112-K159 PolarHBondContact ND1-NZ 3.25Å
113L73.7Confident76.1Confident24 Ų2479.3 Ų79.313%0.12638%0.375CS..SBendtrans-73.4137.8178.4-70.4172.1000111.5V87 A109 F110 T117 R118 M121V87-L113 HydrophobicContact CG1-CD1 3.74Å; V87-L113 HydrophobicContact CG1-CD2 3.57Å; V87-L113 HydrophobicContact CG1-CG 4.27Å; V87-L113 HydrophobicContact CG2-CD2 4.05Å; A109-L113 WeakPolarHBondContact O-CG 3.49Å; A109-L113 PolarHBondContact O-N 2.93Å; F110-L113 PolarHBondContact O-N 3.44Å; L113-T117 HydrophobicContact CD2-CG2 4.49Å; L113-R118 HydrophobicContact CB-CB 4.25Å; L113-R118 PolarHBondContact O-NH2 2.92Å; L113-M121 HydrophobicContact CD1-CE 4.14Å; L113-M121 HydrophobicContact CD1-CG 3.83Å; L113-M121 HydrophobicContact CD1-SD 4.33Å
114P72.4Confident76.6Confident78 Ų7880.8 Ų80.851%0.50638%0.375SS..  trans-51.7145.5168.5-25.134000111.3P116 T117 R118P114-P116 VanDerWaalsContact C-CD 3.45Å; P114-T117 PolarHBondContact O-N 3.07Å; P114-R118 WeakPolarHBondContact O-CB 3.5Å; P114-R118 PolarHBondContact O-N 3.18Å
115F73Confident76.7Confident146 Ų14683 Ų8364%0.6438%0.382SS*.Hα-helixtrans-54.9-43-176.8-171.1-93.6000113.8R118 R119F115-R118 PolarHBondContact O-N 3.36Å; F115-R119 PolarHBondContact O-N 3.01Å; F115-R119 VanDerWaalsContact O-N 3.13Å
116P73Confident77.1Confident84 Ų8484.8 Ų84.855%0.54540%0.397SS..Hα-helixtrans-61.7-46.9177.6-21.934.2000112.7P114 R118 R119P114-P116 VanDerWaalsContact C-CD 3.45Å; P116-R118 PolarHBondContact O-N 3.21Å; P116-R119 PolarHBondContact O-N 3.34Å
117T71.2Confident77.4Confident12 Ų1284.7 Ų84.77%0.07440%0.396CS..Hα-helixtrans-62.7-43.6177.6-44.10000110.7E83 V87 L113 P114 R119 K120 M121E83-T117 VanDerWaalsContact OE1-CG2 3.32Å; E83-T117 WeakPolarHBondContact OE1-CG2 3.45Å; E83-T117 PolarHBondContact OE1-OG1 2.73Å; V87-T117 HydrophobicContact CG2-CG2 4.42Å; L113-T117 HydrophobicContact CD2-CG2 4.49Å; P114-T117 PolarHBondContact O-N 3.07Å; T117-R119 VanDerWaalsContact C-N 3.3Å; T117-R119 PolarHBondContact O-N 2.99Å; T117-K120 PolarHBondContact O-N 3.28Å; T117-K120 VanDerWaalsContact O-N 3.15Å; T117-M121 WeakPolarHBondContact O-CG 3.46Å; T117-M121 PolarHBondContact O-N 3.37Å; T117-M121 VanDerWaalsContact O-N 3.1Å
118R77.1Confident77Confident95 Ų9582.4 Ų82.436%0.35839%0.385SS..Hα-helixtrans-60.4-35.5179.2-169.4-173.7-61.7163.93.7113F110 R111 L113 P114 F115 P116 K120 M121F110-R118 HydrophobicContact CD1-CG 4.13Å; F110-R118 PolarHBondContact O-NE 2.87Å; F110-R118 PolarHBondContact O-NH2 3.06Å; R111-R118 PolarHBondContact O-NH2 2.99Å; L113-R118 HydrophobicContact CB-CB 4.25Å; L113-R118 PolarHBondContact O-NH2 2.92Å; P114-R118 WeakPolarHBondContact O-CB 3.5Å; P114-R118 PolarHBondContact O-N 3.18Å; F115-R118 PolarHBondContact O-N 3.36Å; P116-R118 PolarHBondContact O-N 3.21Å; R118-K120 VanDerWaalsContact C-N 3.29Å; R118-K120 PolarHBondContact O-N 2.72Å; R118-M121 PolarHBondContact O-N 3.15Å
119R80Confident76.7Confident215 Ų21581 Ų8181%0.81138%0.381SS*.Hα-helixtrans-69.3-27.7179.7-166.5174.6178.5-179.1-0.4112.6F115 P116 T117F115-R119 PolarHBondContact O-N 3.01Å; F115-R119 VanDerWaalsContact O-N 3.13Å; P116-R119 PolarHBondContact O-N 3.34Å; T117-R119 VanDerWaalsContact C-N 3.3Å; T117-R119 PolarHBondContact O-N 2.99Å
120K81.2Confident76.8Confident102 Ų10283 Ų8344%0.44339%0.385SS..Hα-helixtrans-94.5-10.3179-56.3178.5-174.3172.80113D80 I84 T117 R118D80-K120 HydrophobicContact CB-CD 4.03Å; D80-K120 IonicContact OD1-NZ 3.75Å; D80-K120 PolarHBondContact OD1-NZ 3.27Å; D80-K120 IonicContact OD2-NZ 3.97Å; D80-K120 PolarHBondContact OD2-NZ 3.34Å; I84-K120 HydrophobicContact CD1-CB 3.31Å; I84-K120 HydrophobicContact CD1-CD 4.28Å; I84-K120 HydrophobicContact CD1-CG 4.4Å; I84-K120 HydrophobicContact CG1-CB 4.18Å; T117-K120 PolarHBondContact O-N 3.28Å; T117-K120 VanDerWaalsContact O-N 3.15Å; R118-K120 VanDerWaalsContact C-N 3.29Å; R118-K120 PolarHBondContact O-N 2.72Å
121M80.4Confident76.4Confident15 Ų1582.4 Ų82.47%0.07438%0.382CS..SBendtrans-66.3147.6175.4-79.1-70.5-7200112.1I84 V87 I91 F110 L113 T117 R118I84-M121 HydrophobicContact CG2-SD 3.88Å; V87-M121 HydrophobicContact CB-CE 4.46Å; V87-M121 HydrophobicContact CB-SD 4.06Å; V87-M121 HydrophobicContact CG1-CE 3.63Å; V87-M121 HydrophobicContact CG1-SD 3.68Å; I91-M121 HydrophobicContact CD1-CE 3.64Å; F110-M121 HydrophobicContact CE1-CB 3.78Å; F110-M121 HydrophobicContact CE2-CE 3.88Å; F110-M121 HydrophobicContact CZ-CB 3.84Å; F110-M121 HydrophobicContact CZ-CE 3.8Å; F110-M121 HydrophobicContact CZ-CG 4.44Å; L113-M121 HydrophobicContact CD1-CE 4.14Å; L113-M121 HydrophobicContact CD1-CG 3.83Å; L113-M121 HydrophobicContact CD1-SD 4.33Å; T117-M121 WeakPolarHBondContact O-CG 3.46Å; T117-M121 PolarHBondContact O-N 3.37Å; T117-M121 VanDerWaalsContact O-N 3.1Å; R118-M121 PolarHBondContact O-N 3.15Å
122P80.5Confident75.9Confident44 Ų4478 Ų7829%0.28637%0.369SS..PPolyproline II helixtrans-54.5149.4166.6-19.830.6000110.5F110 A126 M127F110-P122 WeakPolarHBondContact CE1-O 3.47Å; F110-P122 WeakPolarHBondContact CZ-O 3.38Å; P122-A126 HydrophobicContact CB-CB 4.06Å; P122-M127 HydrophobicContact CB-CG 4.13Å; P122-M127 HydrophobicContact CB-SD 4.26Å; P122-M127 HydrophobicContact CG-SD 4.11Å
123T83Confident75.6Confident95 Ų9582.1 Ų82.158%0.58338%0.381SS*.PPolyproline II helixtrans-57.8153.9179.265.90000111.5K125 A126 M127T123-K125 PolarHBondContact O-N 3.43Å; T123-K125 VanDerWaalsContact O-N 3.11Å; T123-A126 WeakPolarHBondContact O-CA 3.35Å; T123-A126 WeakPolarHBondContact O-CB 3.48Å; T123-A126 PolarHBondContact O-N 2.89Å; T123-A126 WeakPolarHBondContact OG1-CB 3.47Å; T123-A126 PolarHBondContact OG1-N 3.16Å; T123-M127 PolarHBondContact O-N 2.82Å
124R79Confident75.2Confident153 Ų15381.7 Ų81.758%0.57738%0.379SS*.Hα-helixtrans-50.1-39.2175.3-77.2-176.3-93.1158.1-7.6112.2V106 F110 W128V106-R124 HydrophobicContact CG1-CG 4.41Å; F110-R124 HydrophobicContact CB-CG 4.49Å; F110-R124 HydrophobicContact CD1-CG 3.92Å; F110-R124 HydrophobicContact CD2-CG 4.19Å; F110-R124 HydrophobicContact CE1-CG 4.19Å; F110-R124 HydrophobicContact CE2-CG 4.42Å; F110-R124 HydrophobicContact CG-CG 3.92Å; F110-R124 HydrophobicContact CZ-CG 4.43Å; R124-W128 WeakPolarHBondContact O-CB 3.45Å; R124-W128 PolarHBondContact O-N 3.35Å
125K75Confident74.9Confident161 Ų16180 Ų8070%0.737%0.365SS*.Hα-helixtrans-65.5-44.8175.5-170.8174.2-178.81780111.9T123 W128 V129T123-K125 PolarHBondContact O-N 3.43Å; T123-K125 VanDerWaalsContact O-N 3.11Å; K125-W128 PolarHBondContact O-N 3.05Å; K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 2.85Å
126A79.2Confident74.5Confident45 Ų4581.1 Ų81.137%0.37237%0.369SS..Hα-helixtrans-63.8-40.7176.800000112.2P122 T123 V129 R130P122-A126 HydrophobicContact CB-CB 4.06Å; T123-A126 WeakPolarHBondContact O-CA 3.35Å; T123-A126 WeakPolarHBondContact O-CB 3.48Å; T123-A126 PolarHBondContact O-N 2.89Å; T123-A126 WeakPolarHBondContact OG1-CB 3.47Å; T123-A126 PolarHBondContact OG1-N 3.16Å; A126-V129 PolarHBondContact O-N 2.99Å; A126-R130 WeakPolarHBondContact O-CB 3.43Å; A126-R130 PolarHBondContact O-N 3.17Å
127M81.3Confident74Confident1 Ų182.2 Ų82.21%0.00537%0.366CS..Hα-helixtrans-63.1-42.9173.5-79.5-55.3-66.200112C88 I91 I92 V106 F110 P122 T123 R130 V131C88-M127 HydrophobicContact CB-CE 4.05Å; C88-M127 HydrophobicContact CB-SD 4.16Å; C88-M127 VanDerWaalsContact SG-SD 3.66Å; I91-M127 HydrophobicContact CB-CE 3.85Å; I91-M127 HydrophobicContact CD1-CE 4.29Å; I91-M127 HydrophobicContact CG2-CE 3.79Å; I92-M127 HydrophobicContact CG1-CE 4.18Å; V106-M127 HydrophobicContact CG1-CB 3.94Å; F110-M127 HydrophobicContact CE2-CB 4.46Å; F110-M127 HydrophobicContact CE2-CG 3.97Å; F110-M127 HydrophobicContact CZ-CG 4.02Å; P122-M127 HydrophobicContact CB-CG 4.13Å; P122-M127 HydrophobicContact CB-SD 4.26Å; P122-M127 HydrophobicContact CG-SD 4.11Å; T123-M127 PolarHBondContact O-N 2.82Å; M127-R130 WeakPolarHBondContact O-CB 3.23Å; M127-R130 PolarHBondContact O-N 3.49Å; M127-V131 WeakPolarHBondContact O-CG2 3.31Å; M127-V131 PolarHBondContact O-N 3.08Å
128W71.2Confident73.1Confident75 Ų7583.5 Ų83.528%0.28437%0.369SS..Hα-helixtrans-60.4-46.2175.3171.682.8000112.6Q103 R124 K125 R130 V131 Q132Q103-W128 HydrophobicContact CG-CG 4.5Å; R124-W128 WeakPolarHBondContact O-CB 3.45Å; R124-W128 PolarHBondContact O-N 3.35Å; K125-W128 PolarHBondContact O-N 3.05Å; W128-R130 VanDerWaalsContact C-N 3.25Å; W128-R130 PolarHBondContact O-N 3.42Å; W128-V131 PolarHBondContact O-N 3.36Å; W128-Q132 HydrophobicContact CD2-CG 4.38Å; W128-Q132 HydrophobicContact CZ2-CG 4.24Å; W128-Q132 PolarHBondContact O-N 3.39Å
129V72.3Confident72Confident45 Ų4582.7 Ų82.727%0.27338%0.383SS..Hα-helixtrans-58.9-40.9175.5172.50000110.6K125 A126 Q132 R133K125-V129 WeakPolarHBondContact O-CG2 3.48Å; K125-V129 PolarHBondContact O-N 2.85Å; A126-V129 PolarHBondContact O-N 2.99Å; V129-Q132 PolarHBondContact O-N 3.1Å; V129-R133 HydrophobicContact CG1-CG 4.42Å; V129-R133 WeakPolarHBondContact O-CB 3.4Å; V129-R133 WeakPolarHBondContact O-CG 3.4Å; V129-R133 PolarHBondContact O-N 2.93Å
130R75.5Confident70.9Confident59 Ų5976.4 Ų76.422%0.22338%0.377CS..Hα-helixtrans-64.2-45.9179.5-167.6170.8178.6178.9-6111.8A16 I92 A126 M127 W128 R133 L134A16-R130 VanDerWaalsContact N-NH2 3.14Å; I92-R130 HydrophobicContact CD1-CG 4.05Å; A126-R130 WeakPolarHBondContact O-CB 3.43Å; A126-R130 PolarHBondContact O-N 3.17Å; M127-R130 WeakPolarHBondContact O-CB 3.23Å; M127-R130 PolarHBondContact O-N 3.49Å; W128-R130 VanDerWaalsContact C-N 3.25Å; W128-R130 PolarHBondContact O-N 3.42Å; R130-R133 PolarHBondContact O-N 2.99Å; R130-L134 HydrophobicContact CG-CD1 4.39Å; R130-L134 PolarHBondContact O-N 2.8Å; R130-L134 VanDerWaalsContact O-N 3.13Å
131V71.8Confident69.6Low3 Ų376.7 Ų76.72%0.01838%0.383CS..Hα-helixtrans-61.1-48.7175.5167.50000111.3I92 V95 P102 V106 M127 W128 R133 L134 M135I92-V131 HydrophobicContact CG1-CG2 3.94Å; V95-V131 HydrophobicContact CB-CG1 3.89Å; V95-V131 HydrophobicContact CG1-CG1 3.48Å; V95-V131 VanDerWaalsContact CG1-CG1 3.48Å; V95-V131 HydrophobicContact CG2-CG1 3.97Å; V95-V131 HydrophobicContact CG2-CG2 4.06Å; P102-V131 HydrophobicContact CB-CG1 4.08Å; V106-V131 HydrophobicContact CG2-CG2 4.38Å; M127-V131 WeakPolarHBondContact O-CG2 3.31Å; M127-V131 PolarHBondContact O-N 3.08Å; W128-V131 PolarHBondContact O-N 3.36Å; V131-R133 PolarHBondContact O-N 2.87Å; V131-L134 PolarHBondContact O-N 3.1Å; V131-M135 HydrophobicContact CG1-CG 4.49Å; V131-M135 HydrophobicContact CG1-SD 4.04Å; V131-M135 WeakPolarHBondContact O-CG 3.14Å; V131-M135 PolarHBondContact O-N 2.98Å
132Q68.1Low67.7Low87 Ų8779.2 Ų79.241%0.40741%0.413SS..Hα-helixtrans-60.4-43.6178.4-85.5-166.5-35.400112.7W128 V129 L134 M135 K136W128-Q132 HydrophobicContact CD2-CG 4.38Å; W128-Q132 HydrophobicContact CZ2-CG 4.24Å; W128-Q132 PolarHBondContact O-N 3.39Å; V129-Q132 PolarHBondContact O-N 3.1Å; Q132-L134 VanDerWaalsContact C-N 3.31Å; Q132-L134 PolarHBondContact O-N 2.92Å; Q132-M135 PolarHBondContact O-N 3.38Å; Q132-K136 WeakPolarHBondContact O-CB 3.4Å; Q132-K136 PolarHBondContact O-N 2.98Å
133R68.7Low65.8Low185 Ų18582 Ų8270%0.69842%0.422SS*.Hα-helixtrans-60.1-43.3177.2-78.1-179.9-177.61781.1111.3V129 R130 V131 K137V129-R133 HydrophobicContact CG1-CG 4.42Å; V129-R133 WeakPolarHBondContact O-CB 3.4Å; V129-R133 WeakPolarHBondContact O-CG 3.4Å; V129-R133 PolarHBondContact O-N 2.93Å; R130-R133 PolarHBondContact O-N 2.99Å; V131-R133 PolarHBondContact O-N 2.87Å; R133-K137 VanDerWaalsContact O-CB 3.29Å; R133-K137 WeakPolarHBondContact O-CB 3.31Å; R133-K137 PolarHBondContact O-N 2.91Å
134L66Low63.8Low15 Ų1582.7 Ų82.78%0.07943%0.428CS..Hα-helixtrans-65.2-44.8177-82.7157.3000112.1I92 R130 V131 Q132 K137 R138I92-L134 HydrophobicContact CD1-CD1 3.79Å; I92-L134 HydrophobicContact CG1-CD1 4.24Å; I92-L134 HydrophobicContact CG2-CD1 3.65Å; R130-L134 HydrophobicContact CG-CD1 4.39Å; R130-L134 PolarHBondContact O-N 2.8Å; R130-L134 VanDerWaalsContact O-N 3.13Å; V131-L134 PolarHBondContact O-N 3.1Å; Q132-L134 VanDerWaalsContact C-N 3.31Å; Q132-L134 PolarHBondContact O-N 2.92Å; L134-K137 PolarHBondContact O-N 3.4Å; L134-R138 PolarHBondContact O-N 3.35Å
135M65.2Low61.9Low43 Ų4380.6 Ų80.621%0.21243%0.428CS..Hα-helixtrans-61.2-46.5176.6-74-178.4135.300112.1V95 P102 V131 Q132 K137 R138 A139 L145V95-M135 HydrophobicContact CG1-CE 3.57Å; V95-M135 HydrophobicContact CG1-SD 4.08Å; P102-M135 HydrophobicContact CG-CE 4.18Å; P102-M135 HydrophobicContact CG-SD 3.89Å; V131-M135 HydrophobicContact CG1-CG 4.49Å; V131-M135 HydrophobicContact CG1-SD 4.04Å; V131-M135 WeakPolarHBondContact O-CG 3.14Å; V131-M135 PolarHBondContact O-N 2.98Å; Q132-M135 PolarHBondContact O-N 3.38Å; M135-K137 VanDerWaalsContact C-N 3.33Å; M135-K137 PolarHBondContact O-N 2.94Å; M135-R138 PolarHBondContact O-N 3.39Å; M135-A139 WeakPolarHBondContact O-CB 3.39Å; M135-A139 PolarHBondContact O-N 3.13Å; M135-L145 HydrophobicContact CE-CD1 4.13Å; M135-L145 HydrophobicContact CE-CD2 4.02Å; M135-L145 HydrophobicContact CE-CG 4.47Å
136K65.1Low60.5Low169 Ų16973.8 Ų73.874%0.73540%0.403SS*.Hα-helixtrans-63.4-38.9179-169.6175.1-177.7178.20112Q132 A140Q132-K136 WeakPolarHBondContact O-CB 3.4Å; Q132-K136 PolarHBondContact O-N 2.98Å; K136-A140 PolarHBondContact O-N 3.15Å; K136-A140 VanDerWaalsContact O-N 3.14Å
137K61.2Low58.9Low108 Ų10874.3 Ų74.347%0.4740%0.404SS..Hα-helixtrans-71.2-37.3-179.6-156.3-178.3-179.4-156.80112.3R133 L134 M135 A140 N141R133-K137 VanDerWaalsContact O-CB 3.29Å; R133-K137 WeakPolarHBondContact O-CB 3.31Å; R133-K137 PolarHBondContact O-N 2.91Å; L134-K137 PolarHBondContact O-N 3.4Å; M135-K137 VanDerWaalsContact C-N 3.33Å; M135-K137 PolarHBondContact O-N 2.94Å; K137-A140 PolarHBondContact O-N 3.45Å; K137-N141 PolarHBondContact O-N 3.44Å
138R54.1Low57.5Low38 Ų3877 Ų7714%0.14342%0.417CS..Hα-helixtrans-70.5-39.1174.3-74.3-172176.8-173.9-5.3113.1Q96 L134 M135 A140 N141 G142 E143 S147Q96-R138 VanDerWaalsContact NE2-NH1 3.13Å; Q96-R138 VanDerWaalsContact OE1-NH1 3.15Å; L134-R138 PolarHBondContact O-N 3.35Å; M135-R138 PolarHBondContact O-N 3.39Å; R138-A140 PolarHBondContact O-N 2.92Å; R138-N141 CarbonylContact O-C 3.52Å; R138-N141 PolarHBondContact O-N 3.03Å; R138-G142 PolarHBondContact O-N 3.06Å; R138-G142 VanDerWaalsContact O-N 3.14Å; R138-E143 IonicContact NE-OE2 2.86Å; R138-E143 PolarHBondContact O-N 3.17Å; R138-S147 PolarHBondContact NH1-OG 3.1Å; R138-S147 PolarHBondContact NH2-OG 2.87Å; R138-S147 VanDerWaalsContact NH2-OG 3.11Å
139A53.6Low56.7Low79 Ų7974.3 Ų74.365%0.65341%0.409SS*.Hα-helixtrans-59.6-36.9172.300000112M135 N141M135-A139 WeakPolarHBondContact O-CB 3.39Å; M135-A139 PolarHBondContact O-N 3.13Å; A139-N141 VanDerWaalsContact C-N 3.3Å; A139-N141 PolarHBondContact O-N 3.2Å
140A56.8Low56.3Low82 Ų8279.4 Ų79.468%0.67844%0.44SS*.Hα-helixtrans-70-23.9175.300000113.8K136 K137 R138K136-A140 PolarHBondContact O-N 3.15Å; K136-A140 VanDerWaalsContact O-N 3.14Å; K137-A140 PolarHBondContact O-N 3.45Å; R138-A140 PolarHBondContact O-N 2.92Å
141N53.6Low56.1Low109 Ų10978.2 Ų78.258%0.58344%0.438SS*.THydrogen-bonded Turntrans-97.20.6179.8-70-1.6000113.6K137 R138 A139 E143K137-N141 PolarHBondContact O-N 3.44Å; R138-N141 CarbonylContact O-C 3.52Å; R138-N141 PolarHBondContact O-N 3.03Å; A139-N141 VanDerWaalsContact C-N 3.3Å; A139-N141 PolarHBondContact O-N 3.2Å; N141-E143 VanDerWaalsContact C-N 3.28Å; N141-E143 PolarHBondContact O-N 3.15Å
142G40.4Very low56.6Low67 Ų6780.3 Ų80.369%0.69145%0.445SS*.THydrogen-bonded Turntrans71.813.5-179.600000115.4R138R138-G142 PolarHBondContact O-N 3.06Å; R138-G142 VanDerWaalsContact O-N 3.14Å
143E41.1Very low56.9Low103 Ų10376.3 Ų76.348%0.48143%0.428SS..  trans-81.5128.8179.3-72.8-176.616000111.4R138 N141R138-E143 IonicContact NE-OE2 2.86Å; R138-E143 PolarHBondContact O-N 3.17Å; N141-E143 VanDerWaalsContact C-N 3.28Å; N141-E143 PolarHBondContact O-N 3.15Å
144P40.1Very low57Low109 Ų10968.9 Ų68.971%0.70841%0.405SS*.  trans-58.9144.9177.7-20.630.5000112.6G146P144-G146 PolarHBondContact O-N 2.95Å; P144-G146 VanDerWaalsContact O-N 3.13Å
145L38.8Very low57.4Low109 Ų10968.1 Ų68.157%0.57140%0.402SS*.SBendtrans-62.3114.4173.5-140.285.5000109.3M135M135-L145 HydrophobicContact CE-CD1 4.13Å; M135-L145 HydrophobicContact CE-CD2 4.02Å; M135-L145 HydrophobicContact CE-CG 4.47Å
146G47.1Very low57.7Low18 Ų1867.5 Ų67.519%0.18640%0.4CS..SBendtrans107.246-178.500000114.7P144 Q148P144-G146 PolarHBondContact O-N 2.95Å; P144-G146 VanDerWaalsContact O-N 3.13Å; G146-Q148 PolarHBondContact O-N 2.96Å
147S45.2Very low58.2Low56 Ų5659.5 Ų59.539%0.39237%0.365SS..  trans-47.2112.5167.259.80000109R138R138-S147 PolarHBondContact NH1-OG 3.1Å; R138-S147 PolarHBondContact NH2-OG 2.87Å; R138-S147 VanDerWaalsContact NH2-OG 3.11Å
148Q50.9Low58.9Low59 Ų5955.1 Ų55.128%0.27635%0.348SS..  trans-48.8141173.8-72.1-171.3-2.100108.6G146 V150 P410 T411G146-Q148 PolarHBondContact O-N 2.96Å; Q148-V150 PolarHBondContact O-N 3.08Å; Q148-P410 VanDerWaalsContact NE2-C 3.31Å; Q148-P410 PolarHBondContact NE2-O 2.9Å; Q148-T411 HydrophobicContact CG-CG2 4.44Å
149P54.1Low59.9Low17 Ų1759 Ų5911%0.1137%0.366CS..  trans-53.9132.2169.617.8-23.7000108.2D151 I155 L213P149-D151 PolarHBondContact O-N 2.78Å; P149-I155 HydrophobicContact CB-CG1 4.18Å; P149-I155 HydrophobicContact CG-CD1 4.4Å; P149-I155 HydrophobicContact CG-CG1 3.62Å; P149-L213 HydrophobicContact CG-CD1 3.68Å; P149-L213 WeakPolarHBondContact O-CD1 3.48Å; P149-L213 WeakPolarHBondContact O-CD2 3.45Å
150V64.1Low61.2Low152 Ų15258.4 Ų58.492%0.92136%0.361SS*.SBendtrans-69.8-16.5180-170.20000110.7Q148Q148-V150 PolarHBondContact O-N 3.08Å
151D72.9Confident62.5Low35 Ų3556.4 Ų56.419%0.18734%0.336CS..SBendtrans-140.9137.8-174.1-168.4-28.2000110.9N64 P149 A153 A154 H180N64-D151 PolarHBondContact ND2-OD2 2.98Å; P149-D151 PolarHBondContact O-N 2.78Å; D151-A153 PolarHBondContact O-N 3.21Å; D151-A153 WeakPolarHBondContact OD1-CB 3.31Å; D151-A153 PolarHBondContact OD1-N 2.9Å; D151-A154 PolarHBondContact O-N 2.72Å; D151-H180 VanDerWaalsContact CG-ND1 3.34Å; D151-H180 IonicContact OD1-CE1 2.67Å; D151-H180 IonicContact OD1-ND1 3.73Å; D151-H180 PolarHBondContact OD1-ND1 3.19Å; D151-H180 VanDerWaalsContact OD1-ND1 3.1Å; D151-H180 IonicContact OD2-CE1 3.64Å; D151-H180 PolarHBondContact OD2-CE1 2.89Å; D151-H180 IonicContact OD2-ND1 3.91Å; D151-H180 PolarHBondContact OD2-ND1 3.2Å
152R81.3Confident63.9Low46 Ų4656.8 Ų56.817%0.17433%0.329CS..G310 helixtrans-55.3-39.1174.5-77.4178.5-77.5-98.611.9112.2A154 I155 H180 R182 L213 F214 P236R152-A154 PolarHBondContact O-N 3.3Å; R152-A154 VanDerWaalsContact O-N 3.12Å; R152-I155 HydrophobicContact CB-CD1 4.38Å; R152-I155 HydrophobicContact CG-CD1 4.44Å; R152-I155 VanDerWaalsContact O-CB 3.29Å; R152-I155 WeakPolarHBondContact O-CB 3.24Å; R152-I155 VanDerWaalsContact O-CG1 3.26Å; R152-I155 WeakPolarHBondContact O-CG1 3.34Å; R152-I155 PolarHBondContact O-N 3.15Å; R152-H180 PolarHBondContact NE-O 2.94Å; R152-H180 PolarHBondContact NH2-O 3.27Å; R152-R182 HydrophobicContact CB-CB 3.89Å; R152-R182 VanDerWaalsContact O-CD 3.27Å; R152-R182 WeakPolarHBondContact O-CD 3.33Å; R152-R182 PolarHBondContact O-NH1 2.86Å; R152-L213 WeakPolarHBondContact CD-O 3.42Å; R152-L213 HydrophobicContact CG-CB 4.18Å; R152-L213 HydrophobicContact CG-CD2 4.24Å; R152-L213 WeakPolarHBondContact CG-O 3.43Å; R152-L213 PolarHBondContact NH1-O 2.87Å; R152-F214 HydrophobicContact CG-CD1 4.25Å; R152-F214 HydrophobicContact CG-CE1 3.88Å; R152-F214 HydrophobicContact CG-CZ 4.04Å; R152-P236 VanDerWaalsContact CZ-CB 3.42Å
153A73.8Confident65.9Low4 Ų456.4 Ų56.43%0.03331%0.313CS..G310 helixtrans-59.9-27-178.300000113.1D151 L177 G178 D179 H180D151-A153 PolarHBondContact O-N 3.21Å; D151-A153 WeakPolarHBondContact OD1-CB 3.31Å; D151-A153 PolarHBondContact OD1-N 2.9Å; A153-L177 WeakPolarHBondContact O-CA 3.33Å; A153-L177 WeakPolarHBondContact O-CD2 3.34Å; A153-G178 PolarHBondContact O-N 3.34Å; A153-D179 WeakPolarHBondContact CA-O 3.43Å; A153-D179 WeakPolarHBondContact CB-O 3.31Å; A153-D179 PolarHBondContact N-O 3.25Å; A153-H180 WeakPolarHBondContact CB-CE1 3.37Å; A153-H180 WeakPolarHBondContact CB-ND1 3.16Å
154A71.4Confident67.9Low28 Ų2852.2 Ų52.223%0.23129%0.294CS..G310 helixtrans-923-179.200000113.4R93 D151 R152 V156R93-A154 PolarHBondContact NH1-O 3.13Å; D151-A154 PolarHBondContact O-N 2.72Å; R152-A154 PolarHBondContact O-N 3.3Å; R152-A154 VanDerWaalsContact O-N 3.12Å; A154-V156 PolarHBondContact O-N 2.92Å
155I74.5Confident69.8Low0 Ų054.9 Ų54.90%029%0.294CS..  trans-63.8125.4179.3-65.4174.7000109.9P149 R152 V157 L177 R182 L184 L213 F214 W413P149-I155 HydrophobicContact CB-CG1 4.18Å; P149-I155 HydrophobicContact CG-CD1 4.4Å; P149-I155 HydrophobicContact CG-CG1 3.62Å; R152-I155 HydrophobicContact CB-CD1 4.38Å; R152-I155 HydrophobicContact CG-CD1 4.44Å; R152-I155 VanDerWaalsContact O-CB 3.29Å; R152-I155 WeakPolarHBondContact O-CB 3.24Å; R152-I155 VanDerWaalsContact O-CG1 3.26Å; R152-I155 WeakPolarHBondContact O-CG1 3.34Å; R152-I155 PolarHBondContact O-N 3.15Å; I155-V157 HydrophobicContact CG2-CG2 4.24Å; I155-L177 WeakPolarHBondContact O-CD2 3.06Å; I155-R182 PolarHBondContact O-NH1 2.85Å; I155-R182 PolarHBondContact O-NH2 2.82Å; I155-L184 HydrophobicContact CG2-CD1 4.43Å; I155-L213 HydrophobicContact CD1-CD1 4.26Å; I155-F214 HydrophobicContact CD1-CD2 4.42Å; I155-F214 HydrophobicContact CD1-CE2 3.33Å; I155-F214 HydrophobicContact CD1-CZ 3.54Å; I155-W413 HydrophobicContact CG2-CH2 3.69Å; I155-W413 HydrophobicContact CG2-CZ2 3.85Å
156V71.7Confident72Confident30 Ų3054.2 Ų54.218%0.18229%0.291CS..  trans-110.7109.4166.1-179.90000105.7A154 P158 L177A154-V156 PolarHBondContact O-N 2.92Å; V156-P158 WeakPolarHBondContact O-CD 3.4Å; V156-L177 HydrophobicContact CG2-CD1 4.38Å; V156-L177 HydrophobicContact CG2-CD2 3.91Å
157V75.6Confident73.7Confident1 Ų155.9 Ų55.91%0.00631%0.309CS..  trans-66.3114.8178.8-1720000108.9I155 R162 L171 L184 W413I155-V157 HydrophobicContact CG2-CG2 4.24Å; V157-R162 HydrophobicContact CG1-CG 4.14Å; V157-R162 PolarHBondContact O-NE 2.96Å; V157-R162 PolarHBondContact O-NH2 3.12Å; V157-L171 HydrophobicContact CB-CD2 3.88Å; V157-L171 HydrophobicContact CG1-CD2 3.85Å; V157-L171 HydrophobicContact CG2-CD2 3.89Å; V157-L184 HydrophobicContact CG2-CD1 4.13Å; V157-L184 HydrophobicContact CG2-CD2 3.91Å; V157-W413 HydrophobicContact CB-CH2 4.03Å; V157-W413 HydrophobicContact CB-CZ3 4.43Å; V157-W413 HydrophobicContact CG1-CH2 3.94Å; V157-W413 HydrophobicContact CG1-CZ3 3.84Å; V157-W413 HydrophobicContact CG2-CH2 4Å
158P77Confident75.6Confident15 Ų1554.7 Ų54.710%0.09730%0.298CS..  trans-60.8143.9-179.3-19.529.4000109.8V156 A160 Y161 W413V156-P158 WeakPolarHBondContact O-CD 3.4Å; P158-A160 PolarHBondContact O-N 2.93Å; P158-Y161 HydrophobicContact CB-CD2 3.81Å; P158-Y161 HydrophobicContact CB-CE2 4.32Å; P158-Y161 HydrophobicContact CG-CD2 3.68Å; P158-Y161 HydrophobicContact CG-CE2 4.02Å; P158-Y161 PolarHBondContact O-N 3.38Å; P158-W413 HydrophobicContact CG-CD2 4.34Å; P158-W413 HydrophobicContact CG-CZ2 4.09Å
159K75.2Confident77.3Confident121 Ų12152.8 Ų52.853%0.52629%0.294SS..G310 helixtrans-51.9-35.9179.3-169.5177.9-177.5-179.60112H112 Y161 R162H112-K159 PolarHBondContact CE1-NZ 2.94Å; H112-K159 VanDerWaalsContact CE1-NZ 3.28Å; H112-K159 PolarHBondContact ND1-NZ 3.25Å; K159-Y161 PolarHBondContact O-N 2.88Å; K159-Y161 VanDerWaalsContact O-N 3.13Å; K159-R162 PolarHBondContact O-N 2.98Å
160A79Confident79.1Confident66 Ų6652 Ų5255%0.54529%0.289SS..G310 helixtrans-57.7-23.1176.500000114.1P158 R420P158-A160 PolarHBondContact O-N 2.93Å; A160-R420 PolarHBondContact O-NH1 2.97Å; A160-R420 PolarHBondContact O-NH2 3Å
161Y83.9Confident80.4Confident40 Ų4046.2 Ų46.216%0.15725%0.253CS..G310 helixtrans-100.9-1.7177.2-65.5-79.7000113.7P158 K159 W413 V416 D417P158-Y161 HydrophobicContact CB-CD2 3.81Å; P158-Y161 HydrophobicContact CB-CE2 4.32Å; P158-Y161 HydrophobicContact CG-CD2 3.68Å; P158-Y161 HydrophobicContact CG-CE2 4.02Å; P158-Y161 PolarHBondContact O-N 3.38Å; K159-Y161 PolarHBondContact O-N 2.88Å; K159-Y161 VanDerWaalsContact O-N 3.13Å; Y161-W413 HydrophobicContact CD1-CE3 4.35Å; Y161-W413 HydrophobicContact CD2-CD2 4.13Å; Y161-W413 AromaticContact CD2-CE3 3.72Å; Y161-W413 HydrophobicContact CD2-CE3 3.72Å; Y161-W413 HydrophobicContact CD2-CZ3 4.34Å; Y161-W413 HydrophobicContact CE1-CB 4.31Å; Y161-W413 HydrophobicContact CE2-CB 3.96Å; Y161-W413 HydrophobicContact CE2-CD2 4.01Å; Y161-W413 AromaticContact CE2-CE3 3.99Å; Y161-W413 HydrophobicContact CE2-CE3 3.99Å; Y161-W413 AromaticContact CE2-CG 3.98Å; Y161-W413 HydrophobicContact CE2-CG 3.98Å; Y161-W413 AromaticContact CG-CE3 3.93Å; Y161-W413 HydrophobicContact CG-CE3 3.93Å; Y161-W413 HydrophobicContact CG-CZ3 4.41Å; Y161-V416 HydrophobicContact CD1-CB 4.01Å; Y161-V416 HydrophobicContact CD1-CG1 3.56Å; Y161-V416 HydrophobicContact CE1-CB 4.32Å; Y161-V416 HydrophobicContact CE1-CG1 4.29Å; Y161-V416 HydrophobicContact CG-CG1 4.31Å; Y161-D417 VanDerWaalsContact CE1-OD1 3.31Å; Y161-D417 WeakPolarHBondContact CE1-OD1 3.49Å
162R83.8Confident81.3Confident116 Ų11646 Ų4644%0.43825%0.252SS..THydrogen-bonded Turntrans-87.9-20.6180-58.8-174.8-168.8-165.6-3113.3V157 K159 F170 L171V157-R162 HydrophobicContact CG1-CG 4.14Å; V157-R162 PolarHBondContact O-NE 2.96Å; V157-R162 PolarHBondContact O-NH2 3.12Å; K159-R162 PolarHBondContact O-N 2.98Å; R162-F170 PolarHBondContact O-N 3.23Å; R162-L171 HydrophobicContact CB-CB 4.29Å; R162-L171 HydrophobicContact CG-CB 4.32Å; R162-L171 HydrophobicContact CG-CD2 4.05Å; R162-L171 PolarHBondContact O-N 3Å; R162-L171 VanDerWaalsContact O-N 3.1Å
163T82Confident81.9Confident59 Ų5946.7 Ų46.736%0.36226%0.255SS..BIsolated β-bridgetrans-120.2151.3179.555.80000110.5D168 R420T163-D168 CarbonylContact C-O 3.55Å; T163-D168 VanDerWaalsContact CA-O 3.23Å; T163-D168 WeakPolarHBondContact CA-O 3.5Å; T163-R420 PolarHBondContact O-NH2 3.02Å
164H84.6Confident82.7Confident15 Ų1548.7 Ų48.77%0.06927%0.265CS..  trans-83.2173.5171.2-161.566.2000110.3D166 G167 D168 F170 D427H164-D166 VanDerWaalsContact C-N 3.27Å; H164-D166 WeakPolarHBondContact CB-OD1 3.37Å; H164-D166 IonicContact CD2-OD1 2.91Å; H164-D166 IonicContact CD2-OD2 2.77Å; H164-D166 IonicContact CG-OD1 3.25Å; H164-D166 PolarHBondContact O-N 3.17Å; H164-G167 PolarHBondContact O-N 2.81Å; H164-G167 VanDerWaalsContact O-N 3.08Å; H164-D168 HydrophobicContact CB-CB 4.44Å; H164-D168 PolarHBondContact N-O 2.91Å; H164-F170 HydrophobicContact CB-CB 4.18Å; H164-D427 IonicContact NE2-OD2 3.34Å
165K79.6Confident83.2Confident165 Ų16549 Ų4972%0.71726%0.264SS*.THydrogen-bonded Turntrans-62.3-32.7-172.6-74175.8173.5169.70113.3G167 E424K165-G167 VanDerWaalsContact C-N 3.29Å; K165-E424 WeakPolarHBondContact CE-OE1 3.44Å; K165-E424 IonicContact NZ-OE1 2.88Å; K165-E424 PolarHBondContact NZ-OE1 2.76Å; K165-E424 IonicContact NZ-OE2 3.24Å; K165-E424 PolarHBondContact NZ-OE2 3.23Å; K165-E424 VanDerWaalsContact NZ-OE2 3.1Å
166D84.4Confident83.2Confident95 Ų9550 Ų5051%0.50827%0.274SS..THydrogen-bonded Turntrans-80.4-6177.256.34.6000113.7H164 D168 R188H164-D166 VanDerWaalsContact C-N 3.27Å; H164-D166 WeakPolarHBondContact CB-OD1 3.37Å; H164-D166 IonicContact CD2-OD1 2.91Å; H164-D166 IonicContact CD2-OD2 2.77Å; H164-D166 IonicContact CG-OD1 3.25Å; H164-D166 PolarHBondContact O-N 3.17Å; D166-D168 WeakPolarHBondContact OD1-CB 3.37Å; D166-D168 PolarHBondContact OD1-N 3.09Å; D166-R188 IonicContact OD2-CZ 3.5Å; D166-R188 IonicContact OD2-NH1 3.07Å; D166-R188 PolarHBondContact OD2-NH1 2.81Å
167G81.9Confident83.1Confident53 Ų5352.3 Ų52.355%0.54629%0.285SS..SBendtrans93.8-2.6-176.100000114.4H164 K165H164-G167 PolarHBondContact O-N 2.81Å; H164-G167 VanDerWaalsContact O-N 3.08Å; K165-G167 VanDerWaalsContact C-N 3.29Å
168D86.8Confident82.5Confident32 Ų3252.6 Ų52.617%0.17129%0.288CS..  trans-63.6154.1175.1-165.523.3000111.3T163 H164 D166 F170 R188 L189 S190T163-D168 CarbonylContact C-O 3.55Å; T163-D168 VanDerWaalsContact CA-O 3.23Å; T163-D168 WeakPolarHBondContact CA-O 3.5Å; H164-D168 HydrophobicContact CB-CB 4.44Å; H164-D168 PolarHBondContact N-O 2.91Å; D166-D168 WeakPolarHBondContact OD1-CB 3.37Å; D166-D168 PolarHBondContact OD1-N 3.09Å; D168-F170 PolarHBondContact O-N 2.95Å; D168-R188 WeakPolarHBondContact OD2-CB 3.48Å; D168-L189 WeakPolarHBondContact OD1-CB 3.35Å; D168-L189 PolarHBondContact OD2-N 3.33Å; D168-S190 WeakPolarHBondContact OD2-CB 3.41Å; D168-S190 PolarHBondContact OD2-N 2.91Å; D168-S190 PolarHBondContact OD2-OG 3.13Å
169G86.6Confident82.4Confident19 Ų1953 Ų5320%0.19629%0.289CS..BIsolated β-bridgetrans-63.5130.6173.700000110.3L189G169-L189 PolarHBondContact O-N 2.8Å
170F91.9Very high82.6Confident0 Ų049.1 Ų49.10%027%0.273CS..  trans-116.6-41.5-179.4-171.2-118.1000114.1R162 H164 D168 L172 F186 G187 V416 I419 R420 Q423R162-F170 PolarHBondContact O-N 3.23Å; H164-F170 HydrophobicContact CB-CB 4.18Å; D168-F170 PolarHBondContact O-N 2.95Å; F170-L172 PolarHBondContact O-N 3.18Å; F170-F186 AromaticContact CD1-CD1 3.6Å; F170-F186 HydrophobicContact CD1-CD1 3.6Å; F170-F186 HydrophobicContact CD1-CE1 4.3Å; F170-F186 HydrophobicContact CD1-CG 4.48Å; F170-F186 HydrophobicContact CE1-CB 4.07Å; F170-F186 AromaticContact CE1-CD1 3.54Å; F170-F186 HydrophobicContact CE1-CD1 3.54Å; F170-F186 HydrophobicContact CE1-CE1 4.32Å; F170-F186 HydrophobicContact CE1-CG 4.1Å; F170-F186 HydrophobicContact CE2-CB 4.28Å; F170-F186 HydrophobicContact CG-CD1 4.38Å; F170-F186 HydrophobicContact CZ-CB 3.95Å; F170-F186 HydrophobicContact CZ-CD1 4.29Å; F170-F186 HydrophobicContact CZ-CG 4.44Å; F170-F186 CarbonylContact O-C 3.58Å; F170-F186 WeakPolarHBondContact O-CA 3.36Å; F170-G187 CarbonylContact C-O 3.45Å; F170-G187 VanDerWaalsContact CA-O 3.23Å; F170-G187 WeakPolarHBondContact CA-O 3.15Å; F170-G187 VanDerWaalsContact CD2-O 3.31Å; F170-G187 WeakPolarHBondContact CD2-O 3.32Å; F170-G187 PolarHBondContact O-N 3.4Å; F170-G187 VanDerWaalsContact O-O 3.1Å; F170-V416 HydrophobicContact CE1-CG1 4.07Å; F170-I419 HydrophobicContact CZ-CB 4.45Å; F170-I419 HydrophobicContact CZ-CG2 3.87Å; F170-R420 HydrophobicContact CD1-CG 4.22Å; F170-R420 HydrophobicContact CE1-CG 3.44Å; F170-R420 VanDerWaalsContact CE1-CG 3.44Å; F170-R420 HydrophobicContact CZ-CG 3.63Å; F170-Q423 HydrophobicContact CD2-CG 4.35Å; F170-Q423 HydrophobicContact CE2-CB 3.81Å; F170-Q423 HydrophobicContact CE2-CG 3.78Å; F170-Q423 HydrophobicContact CZ-CB 4.37Å
171L91.3Very high83Confident31 Ų3149.5 Ų49.516%0.16227%0.266CS..EExtended strand (participates in β ladder)trans-85102.516717874.1000107.1V157 R162 D174 L184 F186V157-L171 HydrophobicContact CB-CD2 3.88Å; V157-L171 HydrophobicContact CG1-CD2 3.85Å; V157-L171 HydrophobicContact CG2-CD2 3.89Å; R162-L171 HydrophobicContact CB-CB 4.29Å; R162-L171 HydrophobicContact CG-CB 4.32Å; R162-L171 HydrophobicContact CG-CD2 4.05Å; R162-L171 PolarHBondContact O-N 3Å; R162-L171 VanDerWaalsContact O-N 3.1Å; L171-D174 HydrophobicContact CD1-CB 4.43Å; L171-D174 HydrophobicContact CD2-CB 4.03Å; L171-D174 HydrophobicContact CG-CB 4.41Å; L171-L184 HydrophobicContact CD1-CB 4.29Å; L171-L184 HydrophobicContact CD1-CD2 4.23Å; L171-F186 HydrophobicContact CB-CD1 4.25Å; L171-F186 HydrophobicContact CB-CE1 4.05Å; L171-F186 HydrophobicContact CD1-CD1 4.07Å; L171-F186 HydrophobicContact CD1-CE1 3.59Å; L171-F186 HydrophobicContact CD1-CE2 4.24Å; L171-F186 HydrophobicContact CD1-CZ 3.69Å; L171-F186 HydrophobicContact CG-CE1 4.43Å
172L90.5Very high83.2Confident31 Ų3147.7 Ų47.716%0.16226%0.259CS..EExtended strand (participates in β ladder)trans-87.2-36.4-173.6-51.7-175.5000111.7F170 I185 L189 M253 W254F170-L172 PolarHBondContact O-N 3.18Å; L172-I185 PolarHBondContact N-O 3.43Å; L172-L189 HydrophobicContact CD2-CB 3.85Å; L172-L189 HydrophobicContact CD2-CD1 4.45Å; L172-M253 HydrophobicContact CB-CE 4.28Å; L172-M253 HydrophobicContact CB-SD 3.22Å; L172-M253 WeakPolarHBondContact CB-SD 3.34Å; L172-M253 HydrophobicContact CD1-SD 4.44Å; L172-M253 HydrophobicContact CG-SD 4.46Å; L172-W254 HydrophobicContact CD1-CZ2 3.83Å
173Y93.7Very high83.7Confident60 Ų6042.2 Ų42.224%0.23524%0.238CC..EExtended strand (participates in β ladder)trans-139.1140.6177.7-171.7-103.8000111.2T175 I183 I185 A249Y173-T175 HydrophobicContact CD1-CG2 4.28Å; Y173-T175 HydrophobicContact CE1-CG2 3.41Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.41Å; Y173-I183 HydrophobicContact CD1-CG2 4.4Å; Y173-I185 HydrophobicContact CD1-CD1 3.98Å; Y173-I185 HydrophobicContact CD1-CG1 4.14Å; Y173-I185 HydrophobicContact CG-CD1 4.25Å; Y173-I185 HydrophobicContact CG-CG1 4.5Å; Y173-I185 PolarHBondContact N-O 2.88Å; Y173-I185 PolarHBondContact O-N 3.27Å; Y173-A249 HydrophobicContact CD1-CB 3.6Å; Y173-A249 HydrophobicContact CD2-CB 3.69Å; Y173-A249 HydrophobicContact CE1-CB 3.54Å; Y173-A249 HydrophobicContact CE2-CB 3.67Å; Y173-A249 HydrophobicContact CG-CB 3.66Å
174D90.6Very high84.2Confident46 Ų4639.4 Ų39.425%0.24622%0.221CC..EExtended strand (participates in β ladder)trans-147.4115.4174.3179.3-0.4000107L171 G176 R182 I183 L184L171-D174 HydrophobicContact CD1-CB 4.43Å; L171-D174 HydrophobicContact CD2-CB 4.03Å; L171-D174 HydrophobicContact CG-CB 4.41Å; D174-G176 PolarHBondContact O-N 2.89Å; D174-G176 VanDerWaalsContact O-N 3.1Å; D174-G176 WeakPolarHBondContact OD1-CA 3.34Å; D174-G176 PolarHBondContact OD1-N 2.68Å; D174-R182 VanDerWaalsContact CG-NH2 3.28Å; D174-R182 IonicContact OD1-CZ 3.27Å; D174-R182 IonicContact OD1-NE 3.66Å; D174-R182 PolarHBondContact OD1-NE 3.44Å; D174-R182 IonicContact OD1-NH2 3.63Å; D174-R182 PolarHBondContact OD1-NH2 2.8Å; D174-R182 IonicContact OD2-CZ 2.99Å; D174-R182 IonicContact OD2-NE 3.21Å; D174-R182 IonicContact OD2-NH2 3.31Å; D174-R182 PolarHBondContact OD2-NH2 2.9Å; D174-I183 WeakPolarHBondContact CA-O 3.39Å; D174-L184 HydrophobicContact CB-CD2 3.81Å; D174-L184 WeakPolarHBondContact OD1-CD2 3.3Å
175T83.5Confident84.7Confident35 Ų3538.7 Ų38.722%0.21522%0.217CC..  trans-63-16.5178.2570000112.8Y173 D179 R182 I183 R245Y173-T175 HydrophobicContact CD1-CG2 4.28Å; Y173-T175 HydrophobicContact CE1-CG2 3.41Å; Y173-T175 VanDerWaalsContact CE1-CG2 3.41Å; T175-D179 WeakPolarHBondContact CB-OD2 3.38Å; T175-D179 PolarHBondContact OG1-OD2 3.49Å; T175-R182 VanDerWaalsContact OG1-CA 3.28Å; T175-R182 WeakPolarHBondContact OG1-CA 3.4Å; T175-R182 VanDerWaalsContact OG1-CG 3.24Å; T175-R182 WeakPolarHBondContact OG1-CG 3.37Å; T175-I183 HydrophobicContact CG2-CB 3.79Å; T175-I183 HydrophobicContact CG2-CG1 4.42Å; T175-I183 PolarHBondContact N-O 3.27Å; T175-I183 PolarHBondContact OG1-N 3.44Å; T175-I183 VanDerWaalsContact OG1-N 3.09Å; T175-R245 VanDerWaalsContact CG2-NH2 3.26Å
176G73.8Confident85.4Confident20 Ų2030.8 Ų30.821%0.20618%0.183CC..  trans104.7179.216500000114.7D174 R182D174-G176 PolarHBondContact O-N 2.89Å; D174-G176 VanDerWaalsContact O-N 3.1Å; D174-G176 WeakPolarHBondContact OD1-CA 3.34Å; D174-G176 PolarHBondContact OD1-N 2.68Å; G176-R182 VanDerWaalsContact O-CZ 3.26Å; G176-R182 PolarHBondContact O-NE 2.87Å; G176-R182 PolarHBondContact O-NH1 2.89Å
177L69.3Low85.8Confident79 Ų7926.3 Ų26.341%0.41416%0.159SC..THydrogen-bonded Turntrans-70.2139.7176.9-75.2167.3000110.6A153 I155 V156 D179A153-L177 WeakPolarHBondContact O-CA 3.33Å; A153-L177 WeakPolarHBondContact O-CD2 3.34Å; I155-L177 WeakPolarHBondContact O-CD2 3.06Å; V156-L177 HydrophobicContact CG2-CD1 4.38Å; V156-L177 HydrophobicContact CG2-CD2 3.91Å; L177-D179 VanDerWaalsContact C-N 3.35Å
178G62.7Low86.2Confident7 Ų725.3 Ų25.37%0.07214%0.139CC..THydrogen-bonded Turntrans92.2-11-178.900000114.3A153 H180A153-G178 PolarHBondContact O-N 3.34Å; G178-H180 PolarHBondContact O-N 3.1Å
179D76Confident86.2Confident24 Ų2428.7 Ų28.713%0.12816%0.156CC..  trans-83.8112.7174-175.36.3000111.5A153 T175 L177 D181 R182 R245A153-D179 WeakPolarHBondContact CA-O 3.43Å; A153-D179 WeakPolarHBondContact CB-O 3.31Å; A153-D179 PolarHBondContact N-O 3.25Å; T175-D179 WeakPolarHBondContact CB-OD2 3.38Å; T175-D179 PolarHBondContact OG1-OD2 3.49Å; L177-D179 VanDerWaalsContact C-N 3.35Å; D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 VanDerWaalsContact OD1-C 3.3Å; D179-D181 WeakPolarHBondContact OD1-CA 3.33Å; D179-D181 PolarHBondContact OD1-N 3.46Å; D179-R182 HydrophobicContact CB-CB 4.44Å; D179-R182 WeakPolarHBondContact O-CB 3.49Å; D179-R182 PolarHBondContact O-N 2.88Å; D179-R182 WeakPolarHBondContact OD2-CA 3.46Å; D179-R245 IonicContact OD1-NH2 3.21Å; D179-R245 IonicContact OD2-CZ 2.72Å; D179-R245 IonicContact OD2-NH1 3.67Å; D179-R245 IonicContact OD2-NH2 3.1Å; D179-R245 PolarHBondContact OD2-NH2 2.96Å
180H78Confident86.4Confident38 Ų3830.1 Ų30.118%0.17616%0.164CC..THydrogen-bonded Turntrans-74.1-23.9176.8-66.8-71000112.7T63 N64 D151 R152 A153 G178 R182T63-H180 PolarHBondContact O-CD2 2.69Å; N64-H180 WeakPolarHBondContact CB-CE1 3.5Å; N64-H180 WeakPolarHBondContact CB-NE2 3.42Å; N64-H180 PolarHBondContact ND2-CE1 3.47Å; D151-H180 VanDerWaalsContact CG-ND1 3.34Å; D151-H180 IonicContact OD1-CE1 2.67Å; D151-H180 IonicContact OD1-ND1 3.73Å; D151-H180 PolarHBondContact OD1-ND1 3.19Å; D151-H180 VanDerWaalsContact OD1-ND1 3.1Å; D151-H180 IonicContact OD2-CE1 3.64Å; D151-H180 PolarHBondContact OD2-CE1 2.89Å; D151-H180 IonicContact OD2-ND1 3.91Å; D151-H180 PolarHBondContact OD2-ND1 3.2Å; R152-H180 PolarHBondContact NE-O 2.94Å; R152-H180 PolarHBondContact NH2-O 3.27Å; A153-H180 WeakPolarHBondContact CB-CE1 3.37Å; A153-H180 WeakPolarHBondContact CB-ND1 3.16Å; G178-H180 PolarHBondContact O-N 3.1Å; H180-R182 PolarHBondContact O-N 3.25Å
181D88.3Confident86.4Confident74 Ų7430.4 Ų30.440%0.39617%0.165SC..THydrogen-bonded Turntrans-10038.8174.4-59.1-35.6000109.2D179 I183 P236 R245D179-D181 VanDerWaalsContact C-N 3.29Å; D179-D181 VanDerWaalsContact OD1-C 3.3Å; D179-D181 WeakPolarHBondContact OD1-CA 3.33Å; D179-D181 PolarHBondContact OD1-N 3.46Å; D181-I183 PolarHBondContact O-N 3.49Å; D181-P236 HydrophobicContact CB-CB 4.46Å; D181-P236 HydrophobicContact CB-CG 4.03Å; D181-R245 PolarHBondContact O-NH1 3.3Å
182R88.4Confident86.4Confident3 Ų329.9 Ų29.91%0.01117%0.167CC..  trans-54.1135.8-173.8-156.7179.7-174.8142.8-6.5111.4R152 I155 D174 T175 G176 D179 H180 L184 F214 P236R152-R182 HydrophobicContact CB-CB 3.89Å; R152-R182 VanDerWaalsContact O-CD 3.27Å; R152-R182 WeakPolarHBondContact O-CD 3.33Å; R152-R182 PolarHBondContact O-NH1 2.86Å; I155-R182 PolarHBondContact O-NH1 2.85Å; I155-R182 PolarHBondContact O-NH2 2.82Å; D174-R182 VanDerWaalsContact CG-NH2 3.28Å; D174-R182 IonicContact OD1-CZ 3.27Å; D174-R182 IonicContact OD1-NE 3.66Å; D174-R182 PolarHBondContact OD1-NE 3.44Å; D174-R182 IonicContact OD1-NH2 3.63Å; D174-R182 PolarHBondContact OD1-NH2 2.8Å; D174-R182 IonicContact OD2-CZ 2.99Å; D174-R182 IonicContact OD2-NE 3.21Å; D174-R182 IonicContact OD2-NH2 3.31Å; D174-R182 PolarHBondContact OD2-NH2 2.9Å; T175-R182 VanDerWaalsContact OG1-CA 3.28Å; T175-R182 WeakPolarHBondContact OG1-CA 3.4Å; T175-R182 VanDerWaalsContact OG1-CG 3.24Å; T175-R182 WeakPolarHBondContact OG1-CG 3.37Å; G176-R182 VanDerWaalsContact O-CZ 3.26Å; G176-R182 PolarHBondContact O-NE 2.87Å; G176-R182 PolarHBondContact O-NH1 2.89Å; D179-R182 HydrophobicContact CB-CB 4.44Å; D179-R182 WeakPolarHBondContact O-CB 3.49Å; D179-R182 PolarHBondContact O-N 2.88Å; D179-R182 WeakPolarHBondContact OD2-CA 3.46Å; H180-R182 PolarHBondContact O-N 3.25Å; R182-L184 HydrophobicContact CG-CD2 4.4Å; R182-F214 HydrophobicContact CB-CE1 4.45Å; R182-F214 WeakPolarHBondContact O-CE1 3.35Å; R182-P236 WeakPolarHBondContact O-CD 3.34Å
183I92.8Very high86.4Confident0 Ų032.8 Ų32.80%020%0.196CC..  trans-115.3128.2171.1-64.1170000107.6Y173 D174 T175 D181 I185 L235 T242 R245 M246Y173-I183 HydrophobicContact CD1-CG2 4.4Å; D174-I183 WeakPolarHBondContact CA-O 3.39Å; T175-I183 HydrophobicContact CG2-CB 3.79Å; T175-I183 HydrophobicContact CG2-CG1 4.42Å; T175-I183 PolarHBondContact N-O 3.27Å; T175-I183 PolarHBondContact OG1-N 3.44Å; T175-I183 VanDerWaalsContact OG1-N 3.09Å; D181-I183 PolarHBondContact O-N 3.49Å; I183-I185 HydrophobicContact CG2-CD1 4.22Å; I183-I185 HydrophobicContact CG2-CG1 3.78Å; I183-L235 HydrophobicContact CB-CD2 4.41Å; I183-L235 HydrophobicContact CD1-CD2 4.23Å; I183-L235 HydrophobicContact CG1-CD2 3.93Å; I183-L235 HydrophobicContact CG2-CD2 3.79Å; I183-T242 HydrophobicContact CD1-CG2 4.14Å; I183-T242 HydrophobicContact CG1-CG2 4.44Å; I183-R245 HydrophobicContact CD1-CB 3.61Å; I183-M246 HydrophobicContact CD1-CB 4.44Å
184L93Very high86.4Confident0 Ų030.5 Ų30.50%019%0.187CC..EExtended strand (participates in β ladder)trans-113.7124.7170.2-58.9179.1000108.3I155 V157 L171 D174 R182 F186 F214 A233 L234I155-L184 HydrophobicContact CG2-CD1 4.43Å; V157-L184 HydrophobicContact CG2-CD1 4.13Å; V157-L184 HydrophobicContact CG2-CD2 3.91Å; L171-L184 HydrophobicContact CD1-CB 4.29Å; L171-L184 HydrophobicContact CD1-CD2 4.23Å; D174-L184 HydrophobicContact CB-CD2 3.81Å; D174-L184 WeakPolarHBondContact OD1-CD2 3.3Å; R182-L184 HydrophobicContact CG-CD2 4.4Å; L184-F186 HydrophobicContact CB-CE2 3.75Å; L184-F186 HydrophobicContact CB-CZ 4.3Å; L184-F186 HydrophobicContact CD1-CE2 4.45Å; L184-F186 HydrophobicContact CD1-CZ 4.46Å; L184-F214 HydrophobicContact CD1-CE2 3.84Å; L184-F214 HydrophobicContact CD1-CZ 3.6Å; L184-F214 HydrophobicContact CG-CE1 4.41Å; L184-F214 HydrophobicContact CG-CZ 3.84Å; L184-A233 CarbonylContact O-C 3.58Å; L184-A233 WeakPolarHBondContact O-CA 3.34Å; L184-L234 HydrophobicContact CB-CB 4.22Å; L184-L234 HydrophobicContact CB-CD1 4.38Å; L184-L234 HydrophobicContact CB-CG 4.46Å; L184-L234 HydrophobicContact CD1-CD1 4.26Å; L184-L234 PolarHBondContact N-O 3.32Å; L184-L234 PolarHBondContact O-N 3.16Å
185I94.7Very high86.7Confident0 Ų028.4 Ų28.40%018%0.176CC..EExtended strand (participates in β ladder)trans-114.8126.1176.4-51.7-177.4000109.4L172 Y173 I183 L231 A233 M246 A249 M253L172-I185 PolarHBondContact N-O 3.43Å; Y173-I185 HydrophobicContact CD1-CD1 3.98Å; Y173-I185 HydrophobicContact CD1-CG1 4.14Å; Y173-I185 HydrophobicContact CG-CD1 4.25Å; Y173-I185 HydrophobicContact CG-CG1 4.5Å; Y173-I185 PolarHBondContact N-O 2.88Å; Y173-I185 PolarHBondContact O-N 3.27Å; I183-I185 HydrophobicContact CG2-CD1 4.22Å; I183-I185 HydrophobicContact CG2-CG1 3.78Å; I185-L231 HydrophobicContact CG2-CD1 3.69Å; I185-L231 HydrophobicContact CG2-CD2 3.51Å; I185-L231 HydrophobicContact CG2-CG 3.31Å; I185-A233 HydrophobicContact CG1-CB 4.09Å; I185-M246 HydrophobicContact CD1-CG 4.11Å; I185-A249 HydrophobicContact CD1-CB 3.8Å; I185-M253 HydrophobicContact CB-CE 4.35Å; I185-M253 HydrophobicContact CD1-CE 3.96Å; I185-M253 HydrophobicContact CG2-CE 3.99Å
186F94.3Very high87.2Confident0 Ų030.7 Ų30.70%019%0.186CC..EExtended strand (participates in β ladder)trans-112.1152.2175.5-60.2-88.2000110.9F170 L171 L184 L231 F232 L234 V416 I419F170-F186 AromaticContact CD1-CD1 3.6Å; F170-F186 HydrophobicContact CD1-CD1 3.6Å; F170-F186 HydrophobicContact CD1-CE1 4.3Å; F170-F186 HydrophobicContact CD1-CG 4.48Å; F170-F186 HydrophobicContact CE1-CB 4.07Å; F170-F186 AromaticContact CE1-CD1 3.54Å; F170-F186 HydrophobicContact CE1-CD1 3.54Å; F170-F186 HydrophobicContact CE1-CE1 4.32Å; F170-F186 HydrophobicContact CE1-CG 4.1Å; F170-F186 HydrophobicContact CE2-CB 4.28Å; F170-F186 HydrophobicContact CG-CD1 4.38Å; F170-F186 HydrophobicContact CZ-CB 3.95Å; F170-F186 HydrophobicContact CZ-CD1 4.29Å; F170-F186 HydrophobicContact CZ-CG 4.44Å; F170-F186 CarbonylContact O-C 3.58Å; F170-F186 WeakPolarHBondContact O-CA 3.36Å; L171-F186 HydrophobicContact CB-CD1 4.25Å; L171-F186 HydrophobicContact CB-CE1 4.05Å; L171-F186 HydrophobicContact CD1-CD1 4.07Å; L171-F186 HydrophobicContact CD1-CE1 3.59Å; L171-F186 HydrophobicContact CD1-CE2 4.24Å; L171-F186 HydrophobicContact CD1-CZ 3.69Å; L171-F186 HydrophobicContact CG-CE1 4.43Å; L184-F186 HydrophobicContact CB-CE2 3.75Å; L184-F186 HydrophobicContact CB-CZ 4.3Å; L184-F186 HydrophobicContact CD1-CE2 4.45Å; L184-F186 HydrophobicContact CD1-CZ 4.46Å; F186-L231 CarbonylContact O-C 3.59Å; F186-L231 WeakPolarHBondContact O-CA 3.46Å; F186-F232 HydrophobicContact CB-CB 4.47Å; F186-F232 PolarHBondContact N-O 3.22Å; F186-F232 PolarHBondContact O-N 2.8Å; F186-L234 HydrophobicContact CD2-CG 4.49Å; F186-L234 HydrophobicContact CE2-CD1 3.85Å; F186-L234 HydrophobicContact CE2-CG 4.15Å; F186-V416 HydrophobicContact CD1-CG1 4.23Å; F186-V416 HydrophobicContact CE1-CG1 3.78Å; F186-V416 HydrophobicContact CE1-CG2 4.4Å; F186-V416 HydrophobicContact CE2-CG2 3.96Å; F186-V416 HydrophobicContact CZ-CG1 3.95Å; F186-V416 HydrophobicContact CZ-CG2 3.72Å; F186-I419 HydrophobicContact CB-CG2 4.11Å; F186-I419 HydrophobicContact CD2-CD1 3.99Å; F186-I419 HydrophobicContact CE2-CD1 4.49Å
187G93.3Very high88.2Confident0 Ų031.3 Ų31.30%019%0.188CC..EExtended strand (participates in β ladder)trans166.3-173.5179.600000108.8F170F170-G187 CarbonylContact C-O 3.45Å; F170-G187 VanDerWaalsContact CA-O 3.23Å; F170-G187 WeakPolarHBondContact CA-O 3.15Å; F170-G187 VanDerWaalsContact CD2-O 3.31Å; F170-G187 WeakPolarHBondContact CD2-O 3.32Å; F170-G187 PolarHBondContact O-N 3.4Å; F170-G187 VanDerWaalsContact O-O 3.1Å
188R90.8Very high89.5Confident32 Ų3227.6 Ų27.612%0.12117%0.168CC..  trans-91.2132171.1-68.7-124.5-75-156.8-15.9110.9D166 D168 S190 N191 Q423 D427D166-R188 IonicContact OD2-CZ 3.5Å; D166-R188 IonicContact OD2-NH1 3.07Å; D166-R188 PolarHBondContact OD2-NH1 2.81Å; D168-R188 WeakPolarHBondContact OD2-CB 3.48Å; R188-S190 PolarHBondContact O-N 2.93Å; R188-N191 HydrophobicContact CB-CB 4.49Å; R188-N191 VanDerWaalsContact O-CB 3.29Å; R188-N191 WeakPolarHBondContact O-CB 3.33Å; R188-N191 PolarHBondContact O-N 2.98Å; R188-N191 VanDerWaalsContact O-N 3.11Å; R188-Q423 HydrophobicContact CG-CG 3.99Å; R188-D427 IonicContact CZ-OD1 2.81Å; R188-D427 VanDerWaalsContact CZ-OD1 3.27Å; R188-D427 IonicContact CZ-OD2 3.19Å; R188-D427 IonicContact NE-OD1 2.9Å; R188-D427 PolarHBondContact NE-OD1 3.32Å; R188-D427 VanDerWaalsContact NE-OD1 3.09Å; R188-D427 IonicContact NE-OD2 2.8Å; R188-D427 IonicContact NH1-OD2 2.8Å; R188-D427 IonicContact NH2-OD1 2.82Å; R188-D427 PolarHBondContact NH2-OD1 3.18Å
189L87.5Confident91Very high103 Ų10330.7 Ų30.754%0.53918%0.179SC..G310 helixtrans-62.7-37.6174.4177.967.1000110.1D168 G169 L172 N191 G192D168-L189 WeakPolarHBondContact OD1-CB 3.35Å; D168-L189 PolarHBondContact OD2-N 3.33Å; G169-L189 PolarHBondContact O-N 2.8Å; L172-L189 HydrophobicContact CD2-CB 3.85Å; L172-L189 HydrophobicContact CD2-CD1 4.45Å; L189-N191 PolarHBondContact O-N 3.37Å; L189-G192 PolarHBondContact O-N 2.91Å
190S90.5Very high91.8Very high50 Ų5032 Ų3235%0.3519%0.187SC..G310 helixtrans-57.7-22.7173540000114.8D168 R188 G192 A193D168-S190 WeakPolarHBondContact OD2-CB 3.41Å; D168-S190 PolarHBondContact OD2-N 2.91Å; D168-S190 PolarHBondContact OD2-OG 3.13Å; R188-S190 PolarHBondContact O-N 2.93Å; S190-G192 PolarHBondContact O-N 2.99Å; S190-G192 VanDerWaalsContact O-N 3.14Å; S190-A193 WeakPolarHBondContact O-CB 3.39Å; S190-A193 PolarHBondContact O-N 3.49Å; S190-A193 VanDerWaalsContact O-N 3.1Å
191N91.6Very high92.5Very high5 Ų530.4 Ų30.43%0.02718%0.179CC..G310 helixtrans-61.1-24.1173.8-71.9-13.9000112.6R188 L189 A193 W194 S195 M198 V230 W254R188-N191 HydrophobicContact CB-CB 4.49Å; R188-N191 VanDerWaalsContact O-CB 3.29Å; R188-N191 WeakPolarHBondContact O-CB 3.33Å; R188-N191 PolarHBondContact O-N 2.98Å; R188-N191 VanDerWaalsContact O-N 3.11Å; L189-N191 PolarHBondContact O-N 3.37Å; N191-A193 PolarHBondContact O-N 2.86Å; N191-W194 HydrophobicContact CB-CZ2 4.47Å; N191-W194 PolarHBondContact O-N 2.83Å; N191-W194 PolarHBondContact OD1-NE1 3.5Å; N191-S195 PolarHBondContact O-N 3.45Å; N191-M198 HydrophobicContact CB-CE 4.07Å; N191-M198 WeakPolarHBondContact O-CE 3.37Å; N191-V230 PolarHBondContact ND2-O 2.98Å; N191-W254 HydrophobicContact CB-CZ2 4.03Å
192G91.1Very high92.6Very high21 Ų2127.3 Ų27.322%0.21616%0.163CC..G310 helixtrans-58.7-31.3175.800000113.3L189 S190 W194 S195L189-G192 PolarHBondContact O-N 2.91Å; S190-G192 PolarHBondContact O-N 2.99Å; S190-G192 VanDerWaalsContact O-N 3.14Å; G192-W194 PolarHBondContact O-N 2.85Å; G192-W194 VanDerWaalsContact O-N 3.16Å; G192-S195 WeakPolarHBondContact O-CB 2.96Å; G192-S195 PolarHBondContact O-N 3.36Å; G192-S195 PolarHBondContact O-OG 2.99Å
193A91.1Very high92.6Very high92 Ų9227.2 Ų27.276%0.7616%0.163SC*.G310 helixtrans-64.9-19.5-177.700000114S190 N191S190-A193 WeakPolarHBondContact O-CB 3.39Å; S190-A193 PolarHBondContact O-N 3.49Å; S190-A193 VanDerWaalsContact O-N 3.1Å; N191-A193 PolarHBondContact O-N 2.86Å
194W94.1Very high91.8Very high12 Ų1227.4 Ų27.45%0.04516%0.164CC..G310 helixtrans-124.817.617763.5-87.5000112.5N191 G192 N196 C197 M198 A222 R224 V230 Y430N191-W194 HydrophobicContact CB-CZ2 4.47Å; N191-W194 PolarHBondContact O-N 2.83Å; N191-W194 PolarHBondContact OD1-NE1 3.5Å; G192-W194 PolarHBondContact O-N 2.85Å; G192-W194 VanDerWaalsContact O-N 3.16Å; W194-N196 PolarHBondContact O-N 3.01Å; W194-C197 HydrophobicContact CE3-CB 4.35Å; W194-C197 VanDerWaalsContact O-CB 3.23Å; W194-C197 WeakPolarHBondContact O-CB 3.41Å; W194-C197 PolarHBondContact O-N 3.07Å; W194-M198 HydrophobicContact CD2-CE 3.78Å; W194-M198 HydrophobicContact CE3-CE 3.74Å; W194-M198 HydrophobicContact CE3-CG 3.74Å; W194-M198 HydrophobicContact CH2-CE 3.7Å; W194-M198 HydrophobicContact CH2-CG 4.23Å; W194-M198 HydrophobicContact CZ2-CE 3.72Å; W194-M198 HydrophobicContact CZ3-CE 3.71Å; W194-M198 HydrophobicContact CZ3-CG 3.49Å; W194-M198 VanDerWaalsContact CZ3-CG 3.49Å; W194-M198 HydrophobicContact CZ3-SD 4.34Å; W194-A222 HydrophobicContact CH2-CB 4.19Å; W194-A222 HydrophobicContact CZ3-CB 4.19Å; W194-R224 HydrophobicContact CE3-CG 4.37Å; W194-R224 HydrophobicContact CH2-CB 4.36Å; W194-R224 HydrophobicContact CZ3-CB 3.95Å; W194-R224 HydrophobicContact CZ3-CG 4.1Å; W194-V230 HydrophobicContact CH2-CG1 3.58Å; W194-V230 HydrophobicContact CZ2-CG1 3.77Å; W194-Y430 AromaticContact CD1-CE2 3.86Å; W194-Y430 AromaticContact CD1-CZ 3.79Å; W194-Y430 VanDerWaalsContact CD1-OH 3.24Å; W194-Y430 AromaticContact CD2-CE2 3.79Å; W194-Y430 HydrophobicContact CD2-CE2 3.79Å; W194-Y430 AromaticContact CE2-CD2 3.95Å; W194-Y430 AromaticContact CE2-CE2 3.33Å; W194-Y430 HydrophobicContact CE3-CE2 4.43Å; W194-Y430 HydrophobicContact CG-CE2 4.11Å; W194-Y430 HydrophobicContact CH2-CD2 4.39Å; W194-Y430 HydrophobicContact CH2-CE2 4.31Å; W194-Y430 AromaticContact CZ2-CD2 3.78Å; W194-Y430 HydrophobicContact CZ2-CD2 3.78Å; W194-Y430 AromaticContact CZ2-CE2 3.64Å; W194-Y430 HydrophobicContact CZ2-CE2 3.64Å; W194-Y430 AromaticContact NE1-CE2 3.35Å; W194-Y430 AromaticContact NE1-CZ 3.62Å
195S95.2Very high90.3Very high2 Ų228.9 Ų28.91%0.01418%0.176CC..G310 helixtrans-57.9-32178.758.40000113.5N191 G192 C197 M198N191-S195 PolarHBondContact O-N 3.45Å; G192-S195 WeakPolarHBondContact O-CB 2.96Å; G192-S195 PolarHBondContact O-N 3.36Å; G192-S195 PolarHBondContact O-OG 2.99Å; S195-C197 PolarHBondContact O-N 3.11Å; S195-M198 WeakPolarHBondContact O-CB 3.21Å; S195-M198 PolarHBondContact O-N 2.89Å; S195-M198 VanDerWaalsContact O-N 3.08Å
196N95.3Very high88.7Confident82 Ų8229 Ų2944%0.43918%0.177SC..G310 helixtrans-59.2-24.5172.870.9-34.2000114W194 K199 D256W194-N196 PolarHBondContact O-N 3.01Å; N196-K199 WeakPolarHBondContact O-CE 3.2Å; N196-K199 PolarHBondContact O-NZ 2.95Å; N196-K199 VanDerWaalsContact O-NZ 3.16Å; N196-D256 WeakPolarHBondContact CA-O 3.37Å; N196-D256 HydrophobicContact CB-CB 4Å
197C95.4Very high87.1Confident34 Ų3432.2 Ų32.223%0.2319%0.194CC..G310 helixtrans-87.6-10.1179.4-64.10000113.5W194 S195 K199 R224W194-C197 HydrophobicContact CE3-CB 4.35Å; W194-C197 VanDerWaalsContact O-CB 3.23Å; W194-C197 WeakPolarHBondContact O-CB 3.41Å; W194-C197 PolarHBondContact O-N 3.07Å; S195-C197 PolarHBondContact O-N 3.11Å; C197-K199 PolarHBondContact O-N 3.41Å; C197-R224 VanDerWaalsContact CB-NH1 3.25Å; C197-R224 PolarHBondContact SG-NH1 3.25Å; C197-R224 VanDerWaalsContact SG-NH1 3.45Å; C197-R224 PolarHBondContact SG-NH2 3.21Å
198M95.2Very high85.3Confident0 Ų037.4 Ų37.40%022%0.221CC..  trans-79.364.6-177.8-58.2178.6-171.300111.2N191 W194 S195 L201 A222 V230 W254 L257N191-M198 HydrophobicContact CB-CE 4.07Å; N191-M198 WeakPolarHBondContact O-CE 3.37Å; W194-M198 HydrophobicContact CD2-CE 3.78Å; W194-M198 HydrophobicContact CE3-CE 3.74Å; W194-M198 HydrophobicContact CE3-CG 3.74Å; W194-M198 HydrophobicContact CH2-CE 3.7Å; W194-M198 HydrophobicContact CH2-CG 4.23Å; W194-M198 HydrophobicContact CZ2-CE 3.72Å; W194-M198 HydrophobicContact CZ3-CE 3.71Å; W194-M198 HydrophobicContact CZ3-CG 3.49Å; W194-M198 VanDerWaalsContact CZ3-CG 3.49Å; W194-M198 HydrophobicContact CZ3-SD 4.34Å; S195-M198 WeakPolarHBondContact O-CB 3.21Å; S195-M198 PolarHBondContact O-N 2.89Å; S195-M198 VanDerWaalsContact O-N 3.08Å; M198-L201 HydrophobicContact CB-CD2 3.97Å; M198-A222 HydrophobicContact CB-CB 3.85Å; M198-A222 HydrophobicContact CG-CB 3.65Å; M198-A222 HydrophobicContact SD-CB 4.07Å; M198-V230 HydrophobicContact CE-CB 4.39Å; M198-V230 HydrophobicContact CE-CG1 4.02Å; M198-V230 HydrophobicContact SD-CG1 4.43Å; M198-V230 HydrophobicContact SD-CG2 4.3Å; M198-W254 HydrophobicContact SD-CE3 4.35Å; M198-W254 HydrophobicContact SD-CZ3 4.25Å; M198-L257 HydrophobicContact CB-CD1 3.8Å; M198-L257 HydrophobicContact CG-CD1 4.48Å; M198-L257 HydrophobicContact SD-CD1 4.03Å
199K94.8Very high84Confident72 Ų7236.9 Ų36.931%0.31322%0.221SC..  trans-74.6-40.9-174.1-61.3-49.3-164.8-174.30113.8N196 C197 P259 E260 S261N196-K199 WeakPolarHBondContact O-CE 3.2Å; N196-K199 PolarHBondContact O-NZ 2.95Å; N196-K199 VanDerWaalsContact O-NZ 3.16Å; C197-K199 PolarHBondContact O-N 3.41Å; K199-P259 CarbonylContact O-C 3.58Å; K199-E260 HydrophobicContact CB-CG 4.42Å; K199-E260 HydrophobicContact CD-CG 4.23Å; K199-E260 WeakPolarHBondContact CD-OE1 3.35Å; K199-E260 WeakPolarHBondContact CE-OE1 3.42Å; K199-E260 PolarHBondContact O-N 2.86Å; K199-S261 PolarHBondContact O-N 3.04Å; K199-S261 VanDerWaalsContact O-N 3.13Å
200N92.5Very high82.6Confident53 Ų5340 Ų4028%0.28323%0.233SC..EExtended strand (participates in β ladder)trans-109.8115.8178.3-61.7-39.7000109E223 S261N200-E223 HydrophobicContact CB-CB 3.93Å; N200-E223 VanDerWaalsContact CB-OE2 3.31Å; N200-E223 WeakPolarHBondContact CB-OE2 3.43Å; N200-E223 PolarHBondContact ND2-OE2 3.28Å; N200-E223 PolarHBondContact O-N 2.97Å; N200-S261 PolarHBondContact OD1-OG 2.84Å
201L93.3Very high81.5Confident4 Ų438.4 Ų38.42%0.02122%0.221CC..EExtended strand (participates in β ladder)trans-107.2146179-61.9178.6000110.5M198 L220 M221 A222 L257 P259 S261 V262 S263M198-L201 HydrophobicContact CB-CD2 3.97Å; L201-L220 HydrophobicContact CB-CD1 4.14Å; L201-L220 HydrophobicContact CD1-CD1 4.16Å; L201-L220 HydrophobicContact CD1-CD2 4.14Å; L201-L220 HydrophobicContact CD1-CG 4.41Å; L201-L220 HydrophobicContact CD2-CD2 4.48Å; L201-L220 HydrophobicContact CD2-CG 4.35Å; L201-M221 CarbonylContact C-O 3.6Å; L201-M221 VanDerWaalsContact CA-O 3.31Å; L201-M221 WeakPolarHBondContact CA-O 3.36Å; L201-A222 HydrophobicContact CD2-CB 3.77Å; L201-L257 HydrophobicContact CD1-CD1 4.43Å; L201-P259 HydrophobicContact CD1-CB 3.54Å; L201-P259 HydrophobicContact CD1-CG 3.8Å; L201-P259 HydrophobicContact CG-CB 3.89Å; L201-S261 PolarHBondContact N-O 3.16Å; L201-V262 HydrophobicContact CB-CB 4.49Å; L201-V262 HydrophobicContact CB-CG1 4.1Å; L201-V262 HydrophobicContact CB-CG2 4.25Å; L201-V262 HydrophobicContact CD1-CG2 4.27Å; L201-V262 WeakPolarHBondContact O-CA 3.41Å; L201-S263 PolarHBondContact O-N 3.24Å
202V90.9Very high80.4Confident8 Ų842.7 Ų42.75%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-115.3115.4162.6175.10000108.2N204 M221 F227 S263 V394V202-N204 HydrophobicContact CG1-CB 4.45Å; V202-M221 HydrophobicContact CB-CB 4.34Å; V202-M221 HydrophobicContact CB-CE 4.05Å; V202-M221 HydrophobicContact CG1-CE 3.64Å; V202-M221 PolarHBondContact N-O 2.99Å; V202-M221 PolarHBondContact O-N 2.8Å; V202-F227 HydrophobicContact CB-CD1 4.31Å; V202-F227 HydrophobicContact CB-CE1 4.34Å; V202-F227 HydrophobicContact CG2-CD1 3.79Å; V202-F227 HydrophobicContact CG2-CE1 3.44Å; V202-F227 VanDerWaalsContact CG2-CE1 3.44Å; V202-F227 HydrophobicContact CG2-CZ 4.35Å; V202-S263 CarbonylContact C-O 3.57Å; V202-S263 VanDerWaalsContact CA-O 3.31Å; V202-S263 WeakPolarHBondContact CA-O 3.48Å; V202-V394 HydrophobicContact CB-CG1 4.35Å; V202-V394 HydrophobicContact CG1-CG1 3.75Å; V202-V394 HydrophobicContact CG2-CG1 4.07Å; V202-V394 HydrophobicContact CG2-CG2 3.8Å
203A88.3Confident79.9Confident1 Ų141.8 Ų41.81%0.00824%0.242CC..EExtended strand (participates in β ladder)trans-95.2106.1175.400000107.8F218 L220 V262 S263 M264A203-F218 HydrophobicContact CB-CE1 3.85Å; A203-F218 HydrophobicContact CB-CZ 3.46Å; A203-F218 VanDerWaalsContact CB-CZ 3.46Å; A203-L220 HydrophobicContact CB-CD1 4.05Å; A203-V262 HydrophobicContact CB-CG1 3.87Å; A203-S263 PolarHBondContact N-O 3.14Å; A203-M264 HydrophobicContact CB-CB 3.86Å; A203-M264 HydrophobicContact CB-CE 4.16Å; A203-M264 WeakPolarHBondContact O-CA 3.38Å; A203-M264 WeakPolarHBondContact O-CB 3.47Å
204N74.7Confident79.7Confident5 Ų537.6 Ų37.63%0.02721%0.206CC..EExtended strand (participates in β ladder)trans-114.6115.3-175.7-15048000109.6V202 T206 V219 M221 H289 S398V202-N204 HydrophobicContact CG1-CB 4.45Å; N204-T206 HydrophobicContact CB-CG2 4.34Å; N204-T206 WeakPolarHBondContact ND2-CG2 3.49Å; N204-T206 PolarHBondContact O-N 3.47Å; N204-T206 VanDerWaalsContact O-N 3.16Å; N204-V219 PolarHBondContact N-O 3.22Å; N204-V219 PolarHBondContact O-N 3.07Å; N204-M221 HydrophobicContact CB-CE 3.96Å; N204-H289 PolarHBondContact OD1-CE1 3.25Å; N204-S398 WeakPolarHBondContact ND2-CB 3.26Å; N204-S398 PolarHBondContact ND2-OG 3.03Å
205A62.8Low79.1Confident31 Ų3139 Ų3926%0.25622%0.217SC..EExtended strand (participates in β ladder)trans-78.294.1172.600000108.4L207 F218A205-L207 PolarHBondContact O-N 2.97Å; A205-F218 HydrophobicContact CB-CD2 4.43Å
206T60.9Low78.8Confident3 Ų339 Ų392%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-98.194.6-175.745.40000110.7N204 V217 V219 I401N204-T206 HydrophobicContact CB-CG2 4.34Å; N204-T206 WeakPolarHBondContact ND2-CG2 3.49Å; N204-T206 PolarHBondContact O-N 3.47Å; N204-T206 VanDerWaalsContact O-N 3.16Å; T206-V217 PolarHBondContact N-O 2.99Å; T206-V217 VanDerWaalsContact N-O 3.12Å; T206-V219 WeakPolarHBondContact OG1-CG2 3.36Å; T206-I401 HydrophobicContact CG2-CB 4.36Å; T206-I401 HydrophobicContact CG2-CG2 3.72Å
207L59.5Low78.5Confident67 Ų6735.2 Ų35.235%0.35120%0.196SC..EExtended strand (participates in β ladder)trans80.5136.5162.4-61.6132.1000116.7A205 I209 F405A205-L207 PolarHBondContact O-N 2.97Å; L207-I209 HydrophobicContact CB-CG1 4.2Å; L207-I209 PolarHBondContact O-N 3.48Å; L207-F405 HydrophobicContact CD1-CB 3.82Å
208D56.7Low78.3Confident109 Ų10933.7 Ų33.758%0.58319%0.186SC*.EExtended strand (participates in β ladder)trans-71.5111.6150-70-47.5000106.7P215 K238D208-P215 CarbonylContact C-O 3.59Å; D208-P215 VanDerWaalsContact CA-O 3.29Å; D208-P215 WeakPolarHBondContact CA-O 3.4Å; D208-K238 WeakPolarHBondContact OD1-CE 3.48Å; D208-K238 IonicContact OD1-NZ 2.78Å; D208-K238 PolarHBondContact OD1-NZ 3.02Å; D208-K238 IonicContact OD2-NZ 2.98Å; D208-K238 PolarHBondContact OD2-NZ 3Å
209I62.4Low78.1Confident20 Ų2033.7 Ų33.710%0.10319%0.186CC..  trans-92.2141.9179.7-49.1-163.2000107.1L207 S211 P215 V217 F405 F415L207-I209 HydrophobicContact CB-CG1 4.2Å; L207-I209 PolarHBondContact O-N 3.48Å; I209-S211 PolarHBondContact O-N 2.9Å; I209-P215 PolarHBondContact N-O 2.87Å; I209-V217 HydrophobicContact CD1-CB 3.89Å; I209-V217 HydrophobicContact CD1-CG2 3.27Å; I209-V217 HydrophobicContact CG1-CG2 4.08Å; I209-F405 HydrophobicContact CD1-CB 4.44Å; I209-F405 HydrophobicContact CD1-CG 4.49Å; I209-F415 HydrophobicContact CD1-CD2 4.09Å; I209-F415 HydrophobicContact CD1-CE1 4.1Å; I209-F415 HydrophobicContact CD1-CE2 3.15Å; I209-F415 HydrophobicContact CD1-CZ 3.15Å; I209-F415 HydrophobicContact CG2-CD2 4.41Å; I209-F415 HydrophobicContact CG2-CE2 4.31Å
210E58.4Low78.1Confident170 Ų17030.5 Ų30.579%0.79417%0.172SC*.SBendtrans-70.450.2166.7-67.4-172.9165.200111.3
211S67.5Low78.1Confident16 Ų1628 Ų2811%0.11216%0.159CC..  trans-106114.3165.6-173.60000107.6I209 L213 F214 P215I209-S211 PolarHBondContact O-N 2.9Å; S211-L213 PolarHBondContact O-N 2.7Å; S211-L213 VanDerWaalsContact O-N 3.14Å; S211-F214 WeakPolarHBondContact CB-O 3.24Å; S211-F214 CarbonylContact O-C 3.59Å; S211-F214 PolarHBondContact O-N 3.47Å; S211-F214 PolarHBondContact OG-N 2.91Å; S211-P215 WeakPolarHBondContact O-CA 3.15Å
212S68.1Low78.1Confident94 Ų9427.8 Ų27.866%0.65716%0.158SC*.SBendtrans-56.8-28173.354.90000112.3
213L81Confident78.1Confident3 Ų330.9 Ų30.92%0.01617%0.172CC..SBendtrans-88-42.7-178-67.3168.4000112.6P149 R152 I155 S211 T412P149-L213 HydrophobicContact CG-CD1 3.68Å; P149-L213 WeakPolarHBondContact O-CD1 3.48Å; P149-L213 WeakPolarHBondContact O-CD2 3.45Å; R152-L213 WeakPolarHBondContact CD-O 3.42Å; R152-L213 HydrophobicContact CG-CB 4.18Å; R152-L213 HydrophobicContact CG-CD2 4.24Å; R152-L213 WeakPolarHBondContact CG-O 3.43Å; R152-L213 PolarHBondContact NH1-O 2.87Å; I155-L213 HydrophobicContact CD1-CD1 4.26Å; S211-L213 PolarHBondContact O-N 2.7Å; S211-L213 VanDerWaalsContact O-N 3.14Å; L213-T412 WeakPolarHBondContact CD1-OG1 3.47Å
214F86.4Confident78.1Confident4 Ų434.5 Ų34.52%0.01819%0.185CC..  trans-131.683.1179.5-63.4-75.6000108.9R152 I155 R182 L184 S211 H216 L234 T412R152-F214 HydrophobicContact CG-CD1 4.25Å; R152-F214 HydrophobicContact CG-CE1 3.88Å; R152-F214 HydrophobicContact CG-CZ 4.04Å; I155-F214 HydrophobicContact CD1-CD2 4.42Å; I155-F214 HydrophobicContact CD1-CE2 3.33Å; I155-F214 HydrophobicContact CD1-CZ 3.54Å; R182-F214 HydrophobicContact CB-CE1 4.45Å; R182-F214 WeakPolarHBondContact O-CE1 3.35Å; L184-F214 HydrophobicContact CD1-CE2 3.84Å; L184-F214 HydrophobicContact CD1-CZ 3.6Å; L184-F214 HydrophobicContact CG-CE1 4.41Å; L184-F214 HydrophobicContact CG-CZ 3.84Å; S211-F214 WeakPolarHBondContact CB-O 3.24Å; S211-F214 CarbonylContact O-C 3.59Å; S211-F214 PolarHBondContact O-N 3.47Å; S211-F214 PolarHBondContact OG-N 2.91Å; F214-H216 PolarHBondContact O-N 3.22Å; F214-L234 HydrophobicContact CB-CB 3.93Å; F214-L234 HydrophobicContact CD1-CB 3.61Å; F214-L234 HydrophobicContact CD2-CB 4.04Å; F214-L234 HydrophobicContact CD2-CD1 3.85Å; F214-L234 HydrophobicContact CE1-CB 4.04Å; F214-L234 HydrophobicContact CE2-CB 4.41Å; F214-L234 HydrophobicContact CE2-CD1 4.07Å; F214-L234 HydrophobicContact CG-CB 3.61Å; F214-L234 HydrophobicContact CG-CD1 4.26Å; F214-L234 HydrophobicContact CG-CG 4.47Å; F214-L234 HydrophobicContact CZ-CB 4.42Å; F214-T412 HydrophobicContact CD2-CG2 3.93Å; F214-T412 HydrophobicContact CE2-CG2 3.89Å
215P82.8Confident78.6Confident42 Ų4236.2 Ų36.227%0.27320%0.204SC..  trans-66.8-19.1-175.128.3-35.7000111.8D208 I209 S211 L235 P236D208-P215 CarbonylContact C-O 3.59Å; D208-P215 VanDerWaalsContact CA-O 3.29Å; D208-P215 WeakPolarHBondContact CA-O 3.4Å; I209-P215 PolarHBondContact N-O 2.87Å; S211-P215 WeakPolarHBondContact O-CA 3.15Å; P215-L235 WeakPolarHBondContact CD-O 3.48Å; P215-P236 WeakPolarHBondContact CD-O 3.37Å; P215-P236 WeakPolarHBondContact CG-O 3.43Å
216H87.1Confident79.8Confident2 Ų235.3 Ų35.31%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-124.5134.6-175.7-17045.1000112.6F214 L235 K238 Y243F214-H216 PolarHBondContact O-N 3.22Å; H216-L235 HydrophobicContact CB-CB 4.22Å; H216-L235 PolarHBondContact N-O 3.38Å; H216-L235 PolarHBondContact O-N 3.08Å; H216-K238 HydrophobicContact CB-CG 4.17Å; H216-K238 WeakPolarHBondContact ND1-CE 3.29Å; H216-Y243 AromaticContact CD2-CE1 3.9Å; H216-Y243 AromaticContact NE2-CE1 3.71Å; H216-Y243 AromaticContact NE2-CZ 3.88Å; H216-Y243 PolarHBondContact NE2-OH 2.92Å
217V89.1Confident81.1Confident1 Ų135.9 Ų35.91%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-122.5128.8174.6178.40000110.5T206 I209 V219 A233 L234 F405 F415T206-V217 PolarHBondContact N-O 2.99Å; T206-V217 VanDerWaalsContact N-O 3.12Å; I209-V217 HydrophobicContact CD1-CB 3.89Å; I209-V217 HydrophobicContact CD1-CG2 3.27Å; I209-V217 HydrophobicContact CG1-CG2 4.08Å; V217-V219 HydrophobicContact CG1-CG2 4.34Å; V217-A233 WeakPolarHBondContact CA-O 3.27Å; V217-L234 HydrophobicContact CG1-CD2 4.46Å; V217-L234 HydrophobicContact CG2-CD2 3.58Å; V217-F405 HydrophobicContact CG1-CE2 4Å; V217-F405 HydrophobicContact CG1-CZ 4.39Å; V217-F415 HydrophobicContact CB-CZ 4.4Å; V217-F415 HydrophobicContact CG1-CE1 4.37Å; V217-F415 HydrophobicContact CG1-CZ 4.28Å; V217-F415 HydrophobicContact CG2-CE1 3.67Å; V217-F415 HydrophobicContact CG2-CZ 3.68Å
218F91.6Very high82.7Confident3 Ų332.8 Ų32.81%0.01318%0.18CC..EExtended strand (participates in β ladder)trans-113.5131.6-179.2-163.1-86.2000109.9A203 A205 F232 A233 L235 Y243 M246 F247A203-F218 HydrophobicContact CB-CE1 3.85Å; A203-F218 HydrophobicContact CB-CZ 3.46Å; A203-F218 VanDerWaalsContact CB-CZ 3.46Å; A205-F218 HydrophobicContact CB-CD2 4.43Å; F218-F232 CarbonylContact O-C 3.47Å; F218-F232 WeakPolarHBondContact O-CA 3.46Å; F218-A233 HydrophobicContact CB-CB 4.26Å; F218-A233 PolarHBondContact N-O 3.42Å; F218-A233 PolarHBondContact O-N 2.86Å; F218-L235 HydrophobicContact CB-CD1 3.77Å; F218-L235 HydrophobicContact CB-CG 4.47Å; F218-L235 HydrophobicContact CG-CD1 4.5Å; F218-Y243 HydrophobicContact CD2-CD1 4.25Å; F218-Y243 AromaticContact CD2-CE1 3.75Å; F218-Y243 HydrophobicContact CD2-CE1 3.75Å; F218-Y243 HydrophobicContact CE2-CD1 4.39Å; F218-Y243 HydrophobicContact CE2-CE1 4.07Å; F218-M246 HydrophobicContact CB-SD 3.74Å; F218-M246 HydrophobicContact CD1-CE 3.59Å; F218-M246 HydrophobicContact CD1-SD 3.59Å; F218-M246 VanDerWaalsContact CD1-SD 3.59Å; F218-M246 HydrophobicContact CD2-CE 4.31Å; F218-M246 HydrophobicContact CE1-CE 3.73Å; F218-M246 HydrophobicContact CE1-SD 4.33Å; F218-M246 HydrophobicContact CE2-CE 4.41Å; F218-M246 HydrophobicContact CG-CE 3.89Å; F218-M246 HydrophobicContact CG-SD 3.71Å; F218-M246 HydrophobicContact CZ-CE 4.12Å; F218-F247 HydrophobicContact CE1-CE1 4.04Å; F218-F247 AromaticContact CE1-CZ 3.77Å; F218-F247 HydrophobicContact CE1-CZ 3.77Å; F218-F247 HydrophobicContact CE2-CZ 4.48Å; F218-F247 HydrophobicContact CZ-CE1 4.29Å; F218-F247 HydrophobicContact CZ-CE2 4.43Å; F218-F247 AromaticContact CZ-CZ 3.58Å; F218-F247 HydrophobicContact CZ-CZ 3.58Å
219V92.3Very high84.4Confident0 Ų027.6 Ų27.60%015%0.153CC..EExtended strand (participates in β ladder)trans-121.3125.9179-175.30000109.7N204 T206 V217 M221 P229 L231 F232 I401 F405N204-V219 PolarHBondContact N-O 3.22Å; N204-V219 PolarHBondContact O-N 3.07Å; T206-V219 WeakPolarHBondContact OG1-CG2 3.36Å; V217-V219 HydrophobicContact CG1-CG2 4.34Å; V219-M221 HydrophobicContact CG1-CG 4.32Å; V219-P229 HydrophobicContact CG1-CB 4.08Å; V219-L231 WeakPolarHBondContact CA-O 3.43Å; V219-F232 HydrophobicContact CB-CD1 4.4Å; V219-F232 HydrophobicContact CG1-CD1 3.9Å; V219-F232 HydrophobicContact CG1-CE1 3.86Å; V219-F232 HydrophobicContact CG2-CD1 3.65Å; V219-F232 HydrophobicContact CG2-CE1 4.19Å; V219-I401 HydrophobicContact CB-CD1 4.49Å; V219-I401 HydrophobicContact CG1-CD1 3.93Å; V219-I401 HydrophobicContact CG2-CG2 4.11Å; V219-F405 HydrophobicContact CG2-CE2 4.43Å
220L93.3Very high85.9Confident4 Ų426.6 Ų26.62%0.02115%0.148CC..EExtended strand (participates in β ladder)trans-100.4125.2171.2-162.365.1000108.8L201 A203 V230 L231L201-L220 HydrophobicContact CB-CD1 4.14Å; L201-L220 HydrophobicContact CD1-CD1 4.16Å; L201-L220 HydrophobicContact CD1-CD2 4.14Å; L201-L220 HydrophobicContact CD1-CG 4.41Å; L201-L220 HydrophobicContact CD2-CD2 4.48Å; L201-L220 HydrophobicContact CD2-CG 4.35Å; A203-L220 HydrophobicContact CB-CD1 4.05Å; L220-V230 HydrophobicContact CB-CG2 4.36Å; L220-V230 HydrophobicContact CG-CG2 4.43Å; L220-V230 VanDerWaalsContact O-CG2 3.32Å; L220-V230 WeakPolarHBondContact O-CG2 3.46Å; L220-V230 PolarHBondContact O-N 3.26Å; L220-L231 HydrophobicContact CB-CB 3.92Å; L220-L231 PolarHBondContact N-O 3.48Å; L220-L231 PolarHBondContact O-N 3.45Å
221M93.2Very high87.7Confident0 Ų018.6 Ų18.60%011%0.11CC..EExtended strand (participates in β ladder)trans-110.5141.8172.2-63.4177.6-75.800109.4L201 V202 N204 V219 F227 I228 P229 V394 A397 I401L201-M221 CarbonylContact C-O 3.6Å; L201-M221 VanDerWaalsContact CA-O 3.31Å; L201-M221 WeakPolarHBondContact CA-O 3.36Å; V202-M221 HydrophobicContact CB-CB 4.34Å; V202-M221 HydrophobicContact CB-CE 4.05Å; V202-M221 HydrophobicContact CG1-CE 3.64Å; V202-M221 PolarHBondContact N-O 2.99Å; V202-M221 PolarHBondContact O-N 2.8Å; N204-M221 HydrophobicContact CB-CE 3.96Å; V219-M221 HydrophobicContact CG1-CG 4.32Å; M221-F227 HydrophobicContact CB-CD1 4.4Å; M221-I228 CarbonylContact C-O 3.5Å; M221-I228 WeakPolarHBondContact CA-O 3.39Å; M221-P229 HydrophobicContact CG-CB 4.14Å; M221-P229 HydrophobicContact CG-CG 4.04Å; M221-P229 HydrophobicContact SD-CG 4.37Å; M221-V394 HydrophobicContact CE-CG1 4.25Å; M221-A397 HydrophobicContact SD-CB 3.62Å; M221-I401 HydrophobicContact SD-CD1 3.9Å
222A93.3Very high88.9Confident0 Ų017.9 Ų17.90%011%0.105CC..EExtended strand (participates in β ladder)trans-115.1141.2175.600000110.8W194 M198 L201 I228 V230W194-A222 HydrophobicContact CH2-CB 4.19Å; W194-A222 HydrophobicContact CZ3-CB 4.19Å; M198-A222 HydrophobicContact CB-CB 3.85Å; M198-A222 HydrophobicContact CG-CB 3.65Å; M198-A222 HydrophobicContact SD-CB 4.07Å; L201-A222 HydrophobicContact CD2-CB 3.77Å; A222-I228 PolarHBondContact N-O 3.27Å; A222-I228 PolarHBondContact O-N 3.36Å; A222-V230 HydrophobicContact CB-CG1 3.95Å; A222-V230 HydrophobicContact CB-CG2 4.16Å
223E90.5Very high90.1Very high73 Ų7313.4 Ų13.434%0.3417%0.074SC..EExtended strand (participates in β ladder)trans-75.5123.1171.9-170.5173.6-15200111N200 F226 F227N200-E223 HydrophobicContact CB-CB 3.93Å; N200-E223 VanDerWaalsContact CB-OE2 3.31Å; N200-E223 WeakPolarHBondContact CB-OE2 3.43Å; N200-E223 PolarHBondContact ND2-OE2 3.28Å; N200-E223 PolarHBondContact O-N 2.97Å; E223-F226 CarbonylContact C-O 3.57Å; E223-F226 WeakPolarHBondContact CA-O 3.32Å; E223-F227 HydrophobicContact CB-CD1 4.5Å; E223-F227 HydrophobicContact CB-CE1 3.89Å; E223-F227 HydrophobicContact CB-CE2 4.04Å; E223-F227 HydrophobicContact CB-CZ 3.66Å; E223-F227 HydrophobicContact CG-CE2 3.79Å; E223-F227 HydrophobicContact CG-CZ 3.87Å
224R88.6Confident90.7Very high78 Ų7813.2 Ų13.229%0.2947%0.073SC..SBendtrans-153.969.7174.5-165.365.1172.4172.2-5110.2W194 C197 F226 I228 F433W194-R224 HydrophobicContact CE3-CG 4.37Å; W194-R224 HydrophobicContact CH2-CB 4.36Å; W194-R224 HydrophobicContact CZ3-CB 3.95Å; W194-R224 HydrophobicContact CZ3-CG 4.1Å; C197-R224 VanDerWaalsContact CB-NH1 3.25Å; C197-R224 PolarHBondContact SG-NH1 3.25Å; C197-R224 VanDerWaalsContact SG-NH1 3.45Å; C197-R224 PolarHBondContact SG-NH2 3.21Å; R224-F226 PolarHBondContact N-O 3.39Å; R224-F226 PolarHBondContact O-N 3Å; R224-I228 HydrophobicContact CB-CD1 4.05Å; R224-F433 HydrophobicContact CG-CD1 3.77Å; R224-F433 HydrophobicContact CG-CD2 4.43Å; R224-F433 HydrophobicContact CG-CE1 3.56Å; R224-F433 HydrophobicContact CG-CE2 4.23Å; R224-F433 HydrophobicContact CG-CG 4.2Å; R224-F433 HydrophobicContact CG-CZ 3.8Å; R224-F433 WeakPolarHBondContact O-CD2 3.31Å; R224-F433 WeakPolarHBondContact O-CG 2.99Å
225G85.7Confident90.9Very high41 Ų4113 Ų1342%0.4237%0.072SC..SBendtrans69.2-30-169.200000114.3P439G225-P439 WeakPolarHBondContact O-CG 3.36Å
226F87.2Confident91.3Very high12 Ų1211.3 Ų11.35%0.0536%0.061CC..SBendtrans-123.2175.2167.4-61.3-102.9000109.1E223 R224 I228 L429 D432 F433 K437 P439E223-F226 CarbonylContact C-O 3.57Å; E223-F226 WeakPolarHBondContact CA-O 3.32Å; R224-F226 PolarHBondContact N-O 3.39Å; R224-F226 PolarHBondContact O-N 3Å; F226-I228 HydrophobicContact CB-CG1 4.09Å; F226-L429 HydrophobicContact CD1-CD2 3.85Å; F226-L429 HydrophobicContact CE1-CD2 4.27Å; F226-L429 HydrophobicContact CG-CD2 4.39Å; F226-D432 HydrophobicContact CE2-CB 4.24Å; F226-D432 HydrophobicContact CZ-CB 4.07Å; F226-F433 HydrophobicContact CD2-CB 3.92Å; F226-F433 HydrophobicContact CE2-CB 4.04Å; F226-K437 WeakPolarHBondContact CE2-O 3.33Å; F226-P439 HydrophobicContact CD1-CB 3.87Å; F226-P439 VanDerWaalsContact CE1-CA 3.42Å; F226-P439 HydrophobicContact CE1-CB 3.82Å; F226-P439 HydrophobicContact CZ-CB 4.37Å
227F88.8Confident91.5Very high14 Ų1413.4 Ų13.46%0.0617%0.072CC..EExtended strand (participates in β ladder)trans-97.3108.6162.5-86.4-93000109V202 M221 E223 N391 L393 V394V202-F227 HydrophobicContact CB-CD1 4.31Å; V202-F227 HydrophobicContact CB-CE1 4.34Å; V202-F227 HydrophobicContact CG2-CD1 3.79Å; V202-F227 HydrophobicContact CG2-CE1 3.44Å; V202-F227 VanDerWaalsContact CG2-CE1 3.44Å; V202-F227 HydrophobicContact CG2-CZ 4.35Å; M221-F227 HydrophobicContact CB-CD1 4.4Å; E223-F227 HydrophobicContact CB-CD1 4.5Å; E223-F227 HydrophobicContact CB-CE1 3.89Å; E223-F227 HydrophobicContact CB-CE2 4.04Å; E223-F227 HydrophobicContact CB-CZ 3.66Å; E223-F227 HydrophobicContact CG-CE2 3.79Å; E223-F227 HydrophobicContact CG-CZ 3.87Å; F227-N391 WeakPolarHBondContact CE2-ND2 3.41Å; F227-L393 HydrophobicContact CD2-CB 4.42Å; F227-V394 HydrophobicContact CB-CG2 4.04Å; F227-V394 HydrophobicContact CD1-CG2 3.49Å; F227-V394 VanDerWaalsContact CD1-CG2 3.49Å; F227-V394 HydrophobicContact CD2-CG2 3.54Å; F227-V394 HydrophobicContact CE1-CG2 3.78Å; F227-V394 HydrophobicContact CE2-CG2 3.87Å; F227-V394 HydrophobicContact CG-CG2 3.34Å; F227-V394 HydrophobicContact CZ-CG2 3.94Å
228I91.9Very high91.5Very high2 Ų217 Ų171%0.019%0.088CC..EExtended strand (participates in β ladder)trans-105.3121.2-171.9-54.4179.1000108.1M221 A222 R224 F226 V230 L429 Y430M221-I228 CarbonylContact C-O 3.5Å; M221-I228 WeakPolarHBondContact CA-O 3.39Å; A222-I228 PolarHBondContact N-O 3.27Å; A222-I228 PolarHBondContact O-N 3.36Å; R224-I228 HydrophobicContact CB-CD1 4.05Å; F226-I228 HydrophobicContact CB-CG1 4.09Å; I228-V230 HydrophobicContact CG2-CG1 4.5Å; I228-V230 PolarHBondContact O-N 3.06Å; I228-L429 HydrophobicContact CD1-CB 4.48Å; I228-L429 HydrophobicContact CG1-CB 4.08Å; I228-Y430 HydrophobicContact CD1-CD2 3.81Å; I228-Y430 HydrophobicContact CD1-CG 4.4Å
229P93.4Very high91.6Very high0 Ų022.8 Ų22.80%012%0.115CC..EExtended strand (participates in β ladder)trans-60.5119.2167.3-18.429.4000110.6V219 M221 F232 I401 W425 S426V219-P229 HydrophobicContact CG1-CB 4.08Å; M221-P229 HydrophobicContact CG-CB 4.14Å; M221-P229 HydrophobicContact CG-CG 4.04Å; M221-P229 HydrophobicContact SD-CG 4.37Å; P229-F232 HydrophobicContact CB-CE1 4.01Å; P229-F232 HydrophobicContact CB-CE2 4.18Å; P229-F232 HydrophobicContact CB-CZ 3.48Å; P229-F232 VanDerWaalsContact CB-CZ 3.48Å; P229-F232 HydrophobicContact CG-CZ 4.45Å; P229-I401 HydrophobicContact CG-CD1 4.25Å; P229-W425 HydrophobicContact CG-CE3 4.25Å; P229-W425 HydrophobicContact CG-CZ3 3.68Å; P229-S426 WeakPolarHBondContact CB-OG 3.28Å; P229-S426 WeakPolarHBondContact CD-OG 3.39Å; P229-S426 WeakPolarHBondContact CG-OG 3.46Å; P229-S426 WeakPolarHBondContact O-CB 3.45Å; P229-S426 PolarHBondContact O-OG 3.43Å
230V94.7Very high91.8Very high0 Ų025.4 Ų25.40%013%0.127CC..EExtended strand (participates in β ladder)trans-109.8-23.6-176.2-69.50000112.8N191 W194 M198 L220 A222 I228 W254N191-V230 PolarHBondContact ND2-O 2.98Å; W194-V230 HydrophobicContact CH2-CG1 3.58Å; W194-V230 HydrophobicContact CZ2-CG1 3.77Å; M198-V230 HydrophobicContact CE-CB 4.39Å; M198-V230 HydrophobicContact CE-CG1 4.02Å; M198-V230 HydrophobicContact SD-CG1 4.43Å; M198-V230 HydrophobicContact SD-CG2 4.3Å; L220-V230 HydrophobicContact CB-CG2 4.36Å; L220-V230 HydrophobicContact CG-CG2 4.43Å; L220-V230 VanDerWaalsContact O-CG2 3.32Å; L220-V230 WeakPolarHBondContact O-CG2 3.46Å; L220-V230 PolarHBondContact O-N 3.26Å; A222-V230 HydrophobicContact CB-CG1 3.95Å; A222-V230 HydrophobicContact CB-CG2 4.16Å; I228-V230 HydrophobicContact CG2-CG1 4.5Å; I228-V230 PolarHBondContact O-N 3.06Å; V230-W254 HydrophobicContact CB-CH2 4.11Å; V230-W254 HydrophobicContact CB-CZ3 4.49Å; V230-W254 HydrophobicContact CG2-CH2 4.26Å; V230-W254 HydrophobicContact CG2-CZ3 4.2Å
231L94.5Very high91.9Very high2 Ų228.3 Ų28.31%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-147.5132.4-173.2-171.9153000110.6I185 F186 V219 L220 A233 A250 M253 W254I185-L231 HydrophobicContact CG2-CD1 3.69Å; I185-L231 HydrophobicContact CG2-CD2 3.51Å; I185-L231 HydrophobicContact CG2-CG 3.31Å; F186-L231 CarbonylContact O-C 3.59Å; F186-L231 WeakPolarHBondContact O-CA 3.46Å; V219-L231 WeakPolarHBondContact CA-O 3.43Å; L220-L231 HydrophobicContact CB-CB 3.92Å; L220-L231 PolarHBondContact N-O 3.48Å; L220-L231 PolarHBondContact O-N 3.45Å; L231-A233 HydrophobicContact CD2-CB 4.09Å; L231-A250 HydrophobicContact CD1-CB 3.83Å; L231-M253 HydrophobicContact CD1-CE 4.02Å; L231-W254 HydrophobicContact CB-CH2 4Å; L231-W254 HydrophobicContact CB-CZ3 4.36Å; L231-W254 HydrophobicContact CD1-CH2 4.01Å; L231-W254 HydrophobicContact CD1-CZ3 4.01Å
232F94Very high92.1Very high0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-125112.5176.3-54.3-96.5000109.1F186 F218 V219 P229 I419 L422F186-F232 HydrophobicContact CB-CB 4.47Å; F186-F232 PolarHBondContact N-O 3.22Å; F186-F232 PolarHBondContact O-N 2.8Å; F218-F232 CarbonylContact O-C 3.47Å; F218-F232 WeakPolarHBondContact O-CA 3.46Å; V219-F232 HydrophobicContact CB-CD1 4.4Å; V219-F232 HydrophobicContact CG1-CD1 3.9Å; V219-F232 HydrophobicContact CG1-CE1 3.86Å; V219-F232 HydrophobicContact CG2-CD1 3.65Å; V219-F232 HydrophobicContact CG2-CE1 4.19Å; P229-F232 HydrophobicContact CB-CE1 4.01Å; P229-F232 HydrophobicContact CB-CE2 4.18Å; P229-F232 HydrophobicContact CB-CZ 3.48Å; P229-F232 VanDerWaalsContact CB-CZ 3.48Å; P229-F232 HydrophobicContact CG-CZ 4.45Å; F232-I419 HydrophobicContact CB-CD1 4.33Å; F232-I419 HydrophobicContact CB-CG2 3.59Å; F232-I419 HydrophobicContact CD1-CG2 3.99Å; F232-I419 HydrophobicContact CD2-CG2 3.6Å; F232-I419 HydrophobicContact CE2-CG2 4.21Å; F232-I419 HydrophobicContact CG-CG2 3.47Å; F232-I419 VanDerWaalsContact CG-CG2 3.47Å; F232-L422 HydrophobicContact CE1-CB 3.85Å; F232-L422 HydrophobicContact CE1-CD1 3.95Å; F232-L422 HydrophobicContact CZ-CB 3.76Å
233A93.8Very high92.2Very high0 Ų028.6 Ų28.60%015%0.153CC..EExtended strand (participates in β ladder)trans-106.5130.2-18000000111.4L184 I185 V217 F218 L231 L235 M246L184-A233 CarbonylContact O-C 3.58Å; L184-A233 WeakPolarHBondContact O-CA 3.34Å; I185-A233 HydrophobicContact CG1-CB 4.09Å; V217-A233 WeakPolarHBondContact CA-O 3.27Å; F218-A233 HydrophobicContact CB-CB 4.26Å; F218-A233 PolarHBondContact N-O 3.42Å; F218-A233 PolarHBondContact O-N 2.86Å; L231-A233 HydrophobicContact CD2-CB 4.09Å; A233-L235 HydrophobicContact CB-CD2 3.91Å; A233-L235 HydrophobicContact CB-CG 4.24Å; A233-M246 HydrophobicContact CB-CG 3.81Å; A233-M246 HydrophobicContact CB-SD 3.56Å; A233-M246 VanDerWaalsContact CB-SD 3.56Å
234L92Very high92.5Very high0 Ų030 Ų300%016%0.155CC..EExtended strand (participates in β ladder)trans-91.7117.5167.3-56.3-173.4000108.6L184 F186 F214 V217 T412 F415 V416 I419L184-L234 HydrophobicContact CB-CB 4.22Å; L184-L234 HydrophobicContact CB-CD1 4.38Å; L184-L234 HydrophobicContact CB-CG 4.46Å; L184-L234 HydrophobicContact CD1-CD1 4.26Å; L184-L234 PolarHBondContact N-O 3.32Å; L184-L234 PolarHBondContact O-N 3.16Å; F186-L234 HydrophobicContact CD2-CG 4.49Å; F186-L234 HydrophobicContact CE2-CD1 3.85Å; F186-L234 HydrophobicContact CE2-CG 4.15Å; F214-L234 HydrophobicContact CB-CB 3.93Å; F214-L234 HydrophobicContact CD1-CB 3.61Å; F214-L234 HydrophobicContact CD2-CB 4.04Å; F214-L234 HydrophobicContact CD2-CD1 3.85Å; F214-L234 HydrophobicContact CE1-CB 4.04Å; F214-L234 HydrophobicContact CE2-CB 4.41Å; F214-L234 HydrophobicContact CE2-CD1 4.07Å; F214-L234 HydrophobicContact CG-CB 3.61Å; F214-L234 HydrophobicContact CG-CD1 4.26Å; F214-L234 HydrophobicContact CG-CG 4.47Å; F214-L234 HydrophobicContact CZ-CB 4.42Å; V217-L234 HydrophobicContact CG1-CD2 4.46Å; V217-L234 HydrophobicContact CG2-CD2 3.58Å; L234-T412 HydrophobicContact CD1-CG2 4.36Å; L234-F415 HydrophobicContact CD2-CD1 3.67Å; L234-F415 HydrophobicContact CD2-CE1 3.38Å; L234-V416 HydrophobicContact CD1-CG2 4.33Å; L234-I419 HydrophobicContact CD2-CD1 3.97Å; L234-I419 HydrophobicContact CG-CD1 4.43Å
235L92.2Very high92.8Very high0 Ų030.1 Ų30.10%016%0.156CC..EExtended strand (participates in β ladder)trans-115.9145.4-171.4-57.2-177.4000111.5I183 P215 H216 F218 A233 T242 Y243 M246I183-L235 HydrophobicContact CB-CD2 4.41Å; I183-L235 HydrophobicContact CD1-CD2 4.23Å; I183-L235 HydrophobicContact CG1-CD2 3.93Å; I183-L235 HydrophobicContact CG2-CD2 3.79Å; P215-L235 WeakPolarHBondContact CD-O 3.48Å; H216-L235 HydrophobicContact CB-CB 4.22Å; H216-L235 PolarHBondContact N-O 3.38Å; H216-L235 PolarHBondContact O-N 3.08Å; F218-L235 HydrophobicContact CB-CD1 3.77Å; F218-L235 HydrophobicContact CB-CG 4.47Å; F218-L235 HydrophobicContact CG-CD1 4.5Å; A233-L235 HydrophobicContact CB-CD2 3.91Å; A233-L235 HydrophobicContact CB-CG 4.24Å; L235-T242 HydrophobicContact CB-CG2 4.05Å; L235-T242 HydrophobicContact CD1-CG2 4.41Å; L235-T242 HydrophobicContact CD2-CG2 4.09Å; L235-T242 HydrophobicContact CG-CG2 4.41Å; L235-Y243 HydrophobicContact CD1-CD1 3.88Å; L235-Y243 HydrophobicContact CD1-CE1 3.79Å; L235-M246 HydrophobicContact CD1-SD 3.9Å; L235-M246 HydrophobicContact CD2-CB 4.08Å; L235-M246 HydrophobicContact CD2-CG 4.21Å; L235-M246 HydrophobicContact CD2-SD 4.12Å; L235-M246 HydrophobicContact CG-SD 4.48Å
236P90.7Very high93.3Very high6 Ų628.3 Ų28.34%0.03914%0.136CC..SBendtrans-72-28.4178.930.8-38.4000113.2R152 D181 R182 P215 T242R152-P236 VanDerWaalsContact CZ-CB 3.42Å; D181-P236 HydrophobicContact CB-CB 4.46Å; D181-P236 HydrophobicContact CB-CG 4.03Å; R182-P236 WeakPolarHBondContact O-CD 3.34Å; P215-P236 WeakPolarHBondContact CD-O 3.37Å; P215-P236 WeakPolarHBondContact CG-O 3.43Å; P236-T242 HydrophobicContact CG-CG2 3.79Å
237D90.5Very high93.8Very high45 Ų4528 Ų2824%0.24114%0.135CC..  trans-162.9-174.3-175.56043.4000110.9Q239 T242D237-Q239 HydrophobicContact CB-CG 4.24Å; D237-Q239 VanDerWaalsContact OD1-CB 3.28Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.29Å; D237-Q239 WeakPolarHBondContact OD1-CG 3.22Å; D237-Q239 PolarHBondContact OD1-N 2.91Å; D237-T242 WeakPolarHBondContact OD1-CB 3.26Å; D237-T242 PolarHBondContact OD1-OG1 3.46Å
238K90.5Very high94.1Very high78 Ų7830.1 Ų30.134%0.33915%0.152SC..  trans-107.628.2176.9-60.6-179-177170.50112.7D208 H216 Y243D208-K238 WeakPolarHBondContact OD1-CE 3.48Å; D208-K238 IonicContact OD1-NZ 2.78Å; D208-K238 PolarHBondContact OD1-NZ 3.02Å; D208-K238 IonicContact OD2-NZ 2.98Å; D208-K238 PolarHBondContact OD2-NZ 3Å; H216-K238 HydrophobicContact CB-CG 4.17Å; H216-K238 WeakPolarHBondContact ND1-CE 3.29Å; K238-Y243 HydrophobicContact CB-CE2 4.28Å; K238-Y243 WeakPolarHBondContact O-CE2 3.4Å
239Q93.5Very high94.2Very high123 Ų12330 Ų3058%0.57515%0.151SC*.  trans-79.9149.8-178.6-61.4-62-33.300111.3D237 A241 T242 Y243D237-Q239 HydrophobicContact CB-CG 4.24Å; D237-Q239 VanDerWaalsContact OD1-CB 3.28Å; D237-Q239 WeakPolarHBondContact OD1-CB 3.29Å; D237-Q239 WeakPolarHBondContact OD1-CG 3.22Å; D237-Q239 PolarHBondContact OD1-N 2.91Å; Q239-A241 PolarHBondContact O-N 3.19Å; Q239-T242 WeakPolarHBondContact O-CB 3.48Å; Q239-T242 PolarHBondContact O-N 3.04Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.32Å; Q239-Y243 PolarHBondContact O-N 3.31Å; Q239-Y243 VanDerWaalsContact O-N 3.08Å
240E95.5Very high94.2Very high55 Ų5530.1 Ų30.126%0.25715%0.152SC..Hα-helixtrans-58.2-39.2179-177.8178.2147.200111.5T242 Y243 R244 A269 N272 A273E240-T242 VanDerWaalsContact C-N 3.29Å; E240-T242 PolarHBondContact O-N 3.16Å; E240-Y243 PolarHBondContact O-N 3.04Å; E240-R244 HydrophobicContact CG-CG 4.33Å; E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.34Å; E240-R244 PolarHBondContact O-N 3.35Å; E240-R244 IonicContact OE1-CZ 3.33Å; E240-R244 IonicContact OE1-NE 2.72Å; E240-R244 PolarHBondContact OE1-NE 3.01Å; E240-R244 IonicContact OE1-NH2 2.79Å; E240-R244 PolarHBondContact OE1-NH2 3.1Å; E240-A269 HydrophobicContact CB-CB 3.8Å; E240-N272 HydrophobicContact CG-CB 4.08Å; E240-N272 VanDerWaalsContact OE2-CB 3.28Å; E240-N272 WeakPolarHBondContact OE2-CB 3.23Å; E240-N272 PolarHBondContact OE2-ND2 2.98Å; E240-A273 HydrophobicContact CG-CB 4.5Å
241A96.3Very high94.1Very high66 Ų6634.5 Ų34.555%0.54517%0.171SC..Hα-helixtrans-59-40.8176.500000112.1Q239 R244 R245Q239-A241 PolarHBondContact O-N 3.19Å; A241-R244 PolarHBondContact O-N 3.06Å; A241-R245 VanDerWaalsContact O-CG 3.29Å; A241-R245 WeakPolarHBondContact O-CG 3.38Å; A241-R245 PolarHBondContact O-N 3.29Å
242T95.6Very high93.9Very high5 Ų541.1 Ų41.13%0.03120%0.202CC..Hα-helixtrans-66.2-47.5177.4-62.70000111.2I183 L235 P236 D237 Q239 E240 R244 R245 M246I183-T242 HydrophobicContact CD1-CG2 4.14Å; I183-T242 HydrophobicContact CG1-CG2 4.44Å; L235-T242 HydrophobicContact CB-CG2 4.05Å; L235-T242 HydrophobicContact CD1-CG2 4.41Å; L235-T242 HydrophobicContact CD2-CG2 4.09Å; L235-T242 HydrophobicContact CG-CG2 4.41Å; P236-T242 HydrophobicContact CG-CG2 3.79Å; D237-T242 WeakPolarHBondContact OD1-CB 3.26Å; D237-T242 PolarHBondContact OD1-OG1 3.46Å; Q239-T242 WeakPolarHBondContact O-CB 3.48Å; Q239-T242 PolarHBondContact O-N 3.04Å; E240-T242 VanDerWaalsContact C-N 3.29Å; E240-T242 PolarHBondContact O-N 3.16Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 3.23Å; T242-R245 PolarHBondContact O-N 3.11Å; T242-M246 PolarHBondContact O-N 3.24Å
243Y95.7Very high93.7Very high0 Ų043.2 Ų43.20%021%0.213CC..Hα-helixtrans-62.2-41.1176.1-66.9-54.4000112.1H216 F218 L235 K238 Q239 E240 R245 M246 F247 D267 A269 A270 A273H216-Y243 AromaticContact CD2-CE1 3.9Å; H216-Y243 AromaticContact NE2-CE1 3.71Å; H216-Y243 AromaticContact NE2-CZ 3.88Å; H216-Y243 PolarHBondContact NE2-OH 2.92Å; F218-Y243 HydrophobicContact CD2-CD1 4.25Å; F218-Y243 AromaticContact CD2-CE1 3.75Å; F218-Y243 HydrophobicContact CD2-CE1 3.75Å; F218-Y243 HydrophobicContact CE2-CD1 4.39Å; F218-Y243 HydrophobicContact CE2-CE1 4.07Å; L235-Y243 HydrophobicContact CD1-CD1 3.88Å; L235-Y243 HydrophobicContact CD1-CE1 3.79Å; K238-Y243 HydrophobicContact CB-CE2 4.28Å; K238-Y243 WeakPolarHBondContact O-CE2 3.4Å; Q239-Y243 WeakPolarHBondContact O-CD2 3.32Å; Q239-Y243 PolarHBondContact O-N 3.31Å; Q239-Y243 VanDerWaalsContact O-N 3.08Å; E240-Y243 PolarHBondContact O-N 3.04Å; Y243-R245 VanDerWaalsContact C-N 3.33Å; Y243-R245 PolarHBondContact O-N 3.25Å; Y243-M246 HydrophobicContact CD1-CE 4.12Å; Y243-M246 PolarHBondContact O-N 3Å; Y243-F247 WeakPolarHBondContact O-CD2 3.46Å; Y243-F247 PolarHBondContact O-N 3.3Å; Y243-D267 PolarHBondContact OH-OD2 3.37Å; Y243-A269 HydrophobicContact CD2-CB 3.87Å; Y243-A269 HydrophobicContact CE2-CB 3.92Å; Y243-A270 HydrophobicContact CD1-CB 4.48Å; Y243-A270 HydrophobicContact CD2-CB 3.94Å; Y243-A270 HydrophobicContact CE1-CB 4.41Å; Y243-A270 HydrophobicContact CE2-CB 3.82Å; Y243-A270 HydrophobicContact CG-CB 4.24Å; Y243-A273 VanDerWaalsContact CB-CB 3.46Å
244R96.8Very high93.6Very high102 Ų10243.4 Ų43.439%0.38521%0.213SC..Hα-helixtrans-59.3-43.6175.7-77.5177178.3-108.50.8111.7E240 A241 T242 S248 A273E240-R244 HydrophobicContact CG-CG 4.33Å; E240-R244 WeakPolarHBondContact O-CB 3.29Å; E240-R244 WeakPolarHBondContact O-CG 3.34Å; E240-R244 PolarHBondContact O-N 3.35Å; E240-R244 IonicContact OE1-CZ 3.33Å; E240-R244 IonicContact OE1-NE 2.72Å; E240-R244 PolarHBondContact OE1-NE 3.01Å; E240-R244 IonicContact OE1-NH2 2.79Å; E240-R244 PolarHBondContact OE1-NH2 3.1Å; A241-R244 PolarHBondContact O-N 3.06Å; T242-R244 VanDerWaalsContact C-N 3.35Å; T242-R244 PolarHBondContact O-N 3.23Å; R244-S248 VanDerWaalsContact O-CB 3.24Å; R244-S248 WeakPolarHBondContact O-CB 3.39Å; R244-S248 PolarHBondContact O-N 2.95Å; R244-S248 PolarHBondContact O-OG 3.38Å; R244-A273 HydrophobicContact CB-CB 4.39Å; R244-A273 HydrophobicContact CG-CB 3.65Å
245R96.2Very high93.5Very high82 Ų8248.2 Ų48.231%0.30925%0.245SC..Hα-helixtrans-62-45.4175.8-71.1171.671.7-150.21.5111.3T175 D179 D181 I183 A241 T242 Y243 S248 A249T175-R245 VanDerWaalsContact CG2-NH2 3.26Å; D179-R245 IonicContact OD1-NH2 3.21Å; D179-R245 IonicContact OD2-CZ 2.72Å; D179-R245 IonicContact OD2-NH1 3.67Å; D179-R245 IonicContact OD2-NH2 3.1Å; D179-R245 PolarHBondContact OD2-NH2 2.96Å; D181-R245 PolarHBondContact O-NH1 3.3Å; I183-R245 HydrophobicContact CD1-CB 3.61Å; A241-R245 VanDerWaalsContact O-CG 3.29Å; A241-R245 WeakPolarHBondContact O-CG 3.38Å; A241-R245 PolarHBondContact O-N 3.29Å; T242-R245 PolarHBondContact O-N 3.11Å; Y243-R245 VanDerWaalsContact C-N 3.33Å; Y243-R245 PolarHBondContact O-N 3.25Å; R245-S248 PolarHBondContact O-N 3.19Å; R245-A249 WeakPolarHBondContact O-CB 3.37Å; R245-A249 PolarHBondContact O-N 3.22Å
246M96.1Very high93.6Very high2 Ų253.6 Ų53.61%0.0127%0.273CS..Hα-helixtrans-61.5-50.1177.4177.1-159.863.700112.2I183 I185 F218 A233 L235 T242 Y243 S248 A249 A250I183-M246 HydrophobicContact CD1-CB 4.44Å; I185-M246 HydrophobicContact CD1-CG 4.11Å; F218-M246 HydrophobicContact CB-SD 3.74Å; F218-M246 HydrophobicContact CD1-CE 3.59Å; F218-M246 HydrophobicContact CD1-SD 3.59Å; F218-M246 VanDerWaalsContact CD1-SD 3.59Å; F218-M246 HydrophobicContact CD2-CE 4.31Å; F218-M246 HydrophobicContact CE1-CE 3.73Å; F218-M246 HydrophobicContact CE1-SD 4.33Å; F218-M246 HydrophobicContact CE2-CE 4.41Å; F218-M246 HydrophobicContact CG-CE 3.89Å; F218-M246 HydrophobicContact CG-SD 3.71Å; F218-M246 HydrophobicContact CZ-CE 4.12Å; A233-M246 HydrophobicContact CB-CG 3.81Å; A233-M246 HydrophobicContact CB-SD 3.56Å; A233-M246 VanDerWaalsContact CB-SD 3.56Å; L235-M246 HydrophobicContact CD1-SD 3.9Å; L235-M246 HydrophobicContact CD2-CB 4.08Å; L235-M246 HydrophobicContact CD2-CG 4.21Å; L235-M246 HydrophobicContact CD2-SD 4.12Å; L235-M246 HydrophobicContact CG-SD 4.48Å; T242-M246 PolarHBondContact O-N 3.24Å; Y243-M246 HydrophobicContact CD1-CE 4.12Å; Y243-M246 PolarHBondContact O-N 3Å; M246-S248 VanDerWaalsContact C-N 3.34Å; M246-S248 PolarHBondContact O-N 3.42Å; M246-A249 WeakPolarHBondContact O-CB 3.28Å; M246-A249 PolarHBondContact O-N 3.3Å; M246-A250 PolarHBondContact O-N 3.45Å
247F96.1Very high93.8Very high6 Ų653.5 Ų53.53%0.02627%0.272CS..Hα-helixtrans-66.7-36.4179.9-74.1-59.7000112.3F218 Y243 A249 A250 K251 A273 V274 V277 F278F218-F247 HydrophobicContact CE1-CE1 4.04Å; F218-F247 AromaticContact CE1-CZ 3.77Å; F218-F247 HydrophobicContact CE1-CZ 3.77Å; F218-F247 HydrophobicContact CE2-CZ 4.48Å; F218-F247 HydrophobicContact CZ-CE1 4.29Å; F218-F247 HydrophobicContact CZ-CE2 4.43Å; F218-F247 AromaticContact CZ-CZ 3.58Å; F218-F247 HydrophobicContact CZ-CZ 3.58Å; Y243-F247 WeakPolarHBondContact O-CD2 3.46Å; Y243-F247 PolarHBondContact O-N 3.3Å; F247-A249 VanDerWaalsContact C-N 3.34Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.34Å; F247-K251 PolarHBondContact O-N 3.45Å; F247-A273 HydrophobicContact CD2-CB 3.89Å; F247-A273 HydrophobicContact CE2-CB 4.22Å; F247-V274 HydrophobicContact CD1-CG2 4.21Å; F247-V274 HydrophobicContact CD2-CG2 3.82Å; F247-V274 HydrophobicContact CE1-CG2 3.7Å; F247-V274 HydrophobicContact CE2-CG2 3.26Å; F247-V274 HydrophobicContact CG-CG2 4.27Å; F247-V274 HydrophobicContact CZ-CG2 3.18Å; F247-V277 HydrophobicContact CB-CB 4Å; F247-V277 HydrophobicContact CB-CG1 4.01Å; F247-V277 HydrophobicContact CB-CG2 3.89Å; F247-F278 HydrophobicContact CB-CE2 4.06Å; F247-F278 AromaticContact CD1-CE2 3.96Å; F247-F278 HydrophobicContact CD1-CE2 3.96Å; F247-F278 HydrophobicContact CG-CE2 4.32Å
248S96.2Very high94Very high58 Ų5854 Ų5441%0.40628%0.283SS..Hα-helixtrans-63.4-42.2174.2-58.30000111.1R244 R245 M246 A250 K251 E252R244-S248 VanDerWaalsContact O-CB 3.24Å; R244-S248 WeakPolarHBondContact O-CB 3.39Å; R244-S248 PolarHBondContact O-N 2.95Å; R244-S248 PolarHBondContact O-OG 3.38Å; R245-S248 PolarHBondContact O-N 3.19Å; M246-S248 VanDerWaalsContact C-N 3.34Å; M246-S248 PolarHBondContact O-N 3.42Å; S248-A250 VanDerWaalsContact C-N 3.34Å; S248-A250 PolarHBondContact O-N 3.27Å; S248-K251 PolarHBondContact O-N 2.79Å; S248-E252 PolarHBondContact O-N 3.24Å
249A94.3Very high94.3Very high1 Ų150.7 Ų50.71%0.00827%0.269CS..Hα-helixtrans-61.6-41.2173.700000111.9Y173 I185 R245 M246 F247 K251 E252 M253Y173-A249 HydrophobicContact CD1-CB 3.6Å; Y173-A249 HydrophobicContact CD2-CB 3.69Å; Y173-A249 HydrophobicContact CE1-CB 3.54Å; Y173-A249 HydrophobicContact CE2-CB 3.67Å; Y173-A249 HydrophobicContact CG-CB 3.66Å; I185-A249 HydrophobicContact CD1-CB 3.8Å; R245-A249 WeakPolarHBondContact O-CB 3.37Å; R245-A249 PolarHBondContact O-N 3.22Å; M246-A249 WeakPolarHBondContact O-CB 3.28Å; M246-A249 PolarHBondContact O-N 3.3Å; F247-A249 VanDerWaalsContact C-N 3.34Å; A249-K251 VanDerWaalsContact C-N 3.31Å; A249-K251 PolarHBondContact O-N 2.93Å; A249-E252 PolarHBondContact O-N 2.91Å; A249-M253 WeakPolarHBondContact O-CB 3.41Å; A249-M253 WeakPolarHBondContact O-CE 3.2Å; A249-M253 VanDerWaalsContact O-CG 3.26Å; A249-M253 WeakPolarHBondContact O-CG 3.44Å; A249-M253 PolarHBondContact O-N 3.32Å
250A92.9Very high94.4Very high2 Ų250.4 Ų50.42%0.01727%0.268CS..Hα-helixtrans-59.2-42.6174.900000112.1L231 M246 F247 S248 M253 W254L231-A250 HydrophobicContact CD1-CB 3.83Å; M246-A250 PolarHBondContact O-N 3.45Å; F247-A250 WeakPolarHBondContact O-CB 3.41Å; F247-A250 PolarHBondContact O-N 3.34Å; S248-A250 VanDerWaalsContact C-N 3.34Å; S248-A250 PolarHBondContact O-N 3.27Å; A250-M253 HydrophobicContact CB-CE 4.45Å; A250-M253 PolarHBondContact O-N 3.47Å; A250-W254 PolarHBondContact O-N 2.92Å
251K92.3Very high94.2Very high91 Ų9149.1 Ų49.140%0.39627%0.265SS..Hα-helixtrans-68.3-34.8176.6-168.5175.7-173.5175.20113.1F247 S248 A249 W254 P255 V277 F278F247-K251 PolarHBondContact O-N 3.45Å; S248-K251 PolarHBondContact O-N 2.79Å; A249-K251 VanDerWaalsContact C-N 3.31Å; A249-K251 PolarHBondContact O-N 2.93Å; K251-W254 CarbonylContact O-C 3.6Å; K251-W254 VanDerWaalsContact O-C 3.26Å; K251-P255 WeakPolarHBondContact O-CA 3.18Å; K251-V277 HydrophobicContact CB-CG1 4.31Å; K251-V277 HydrophobicContact CD-CG1 3.93Å; K251-V277 PolarHBondContact NZ-O 2.77Å; K251-F278 HydrophobicContact CB-CE1 4.2Å; K251-F278 HydrophobicContact CB-CZ 4.17Å; K251-F278 HydrophobicContact CD-CE1 4.18Å; K251-F278 HydrophobicContact CG-CE1 4.22Å
252E90.9Very high94.1Very high142 Ų14246 Ų4666%0.66424%0.239SC*.Hα-helixtrans-68.6-43.5175-175.1-179.3172.900111.5S248 A249 W254S248-E252 PolarHBondContact O-N 3.24Å; A249-E252 PolarHBondContact O-N 2.91Å; E252-W254 VanDerWaalsContact C-N 3.34Å
253M89.5Confident93.8Very high44 Ų4447 Ų4722%0.21725%0.247CC..Hα-helixtrans-66.1-38177.2-69.4-177.2-61.800112.2L172 I185 L231 A249 A250L172-M253 HydrophobicContact CB-CE 4.28Å; L172-M253 HydrophobicContact CB-SD 3.22Å; L172-M253 WeakPolarHBondContact CB-SD 3.34Å; L172-M253 HydrophobicContact CD1-SD 4.44Å; L172-M253 HydrophobicContact CG-SD 4.46Å; I185-M253 HydrophobicContact CB-CE 4.35Å; I185-M253 HydrophobicContact CD1-CE 3.96Å; I185-M253 HydrophobicContact CG2-CE 3.99Å; L231-M253 HydrophobicContact CD1-CE 4.02Å; A249-M253 WeakPolarHBondContact O-CB 3.41Å; A249-M253 WeakPolarHBondContact O-CE 3.2Å; A249-M253 VanDerWaalsContact O-CG 3.26Å; A249-M253 WeakPolarHBondContact O-CG 3.44Å; A249-M253 PolarHBondContact O-N 3.32Å; A250-M253 HydrophobicContact CB-CE 4.45Å; A250-M253 PolarHBondContact O-N 3.47Å
254W92.3Very high93.6Very high3 Ų347.2 Ų47.21%0.01125%0.247CC..  trans-125.281.2-178-56.6-28.6000110.6L172 N191 M198 V230 L231 A250 K251 E252 D256 L257L172-W254 HydrophobicContact CD1-CZ2 3.83Å; N191-W254 HydrophobicContact CB-CZ2 4.03Å; M198-W254 HydrophobicContact SD-CE3 4.35Å; M198-W254 HydrophobicContact SD-CZ3 4.25Å; V230-W254 HydrophobicContact CB-CH2 4.11Å; V230-W254 HydrophobicContact CB-CZ3 4.49Å; V230-W254 HydrophobicContact CG2-CH2 4.26Å; V230-W254 HydrophobicContact CG2-CZ3 4.2Å; L231-W254 HydrophobicContact CB-CH2 4Å; L231-W254 HydrophobicContact CB-CZ3 4.36Å; L231-W254 HydrophobicContact CD1-CH2 4.01Å; L231-W254 HydrophobicContact CD1-CZ3 4.01Å; A250-W254 PolarHBondContact O-N 2.92Å; K251-W254 CarbonylContact O-C 3.6Å; K251-W254 VanDerWaalsContact O-C 3.26Å; E252-W254 VanDerWaalsContact C-N 3.34Å; W254-D256 PolarHBondContact O-N 3.25Å; W254-D256 VanDerWaalsContact O-N 3.15Å; W254-L257 HydrophobicContact CB-CB 3.96Å; W254-L257 HydrophobicContact CE3-CD2 4.16Å; W254-L257 WeakPolarHBondContact O-CB 3.43Å; W254-L257 PolarHBondContact O-N 3.47Å
255P89.1Confident93.1Very high102 Ų10244.5 Ų44.566%0.66224%0.241SC*.THydrogen-bonded Turntrans-58.9-28.9-175.4-27.436.3000114.6K251 L257K251-P255 WeakPolarHBondContact O-CA 3.18Å; P255-L257 VanDerWaalsContact C-N 3.3Å
256D93.6Very high92.7Very high112 Ų11241 Ų4160%0.59923%0.227SC*.THydrogen-bonded Turntrans-84.8-0.1178.7-60.3-42000113.4N196 W254 A258N196-D256 WeakPolarHBondContact CA-O 3.37Å; N196-D256 HydrophobicContact CB-CB 4Å; W254-D256 PolarHBondContact O-N 3.25Å; W254-D256 VanDerWaalsContact O-N 3.15Å; D256-A258 PolarHBondContact O-N 3.36Å
257L94.9Very high92.4Very high4 Ų442.7 Ų42.72%0.02124%0.237CC..  trans-6799.7174.3-178.567.4000110.1M198 L201 W254 P255 F278M198-L257 HydrophobicContact CB-CD1 3.8Å; M198-L257 HydrophobicContact CG-CD1 4.48Å; M198-L257 HydrophobicContact SD-CD1 4.03Å; L201-L257 HydrophobicContact CD1-CD1 4.43Å; W254-L257 HydrophobicContact CB-CB 3.96Å; W254-L257 HydrophobicContact CE3-CD2 4.16Å; W254-L257 WeakPolarHBondContact O-CB 3.43Å; W254-L257 PolarHBondContact O-N 3.47Å; P255-L257 VanDerWaalsContact C-N 3.3Å; L257-F278 HydrophobicContact CD2-CE1 4.08Å; L257-F278 HydrophobicContact CD2-CZ 3.82Å; L257-F278 HydrophobicContact CG-CE1 4.25Å; L257-F278 HydrophobicContact CG-CZ 4.48Å
258A95.7Very high92.2Very high56 Ų5645.4 Ų45.446%0.46325%0.25SC..  trans-127.180.7176.800000109.8D256D256-A258 PolarHBondContact O-N 3.36Å
259P96.5Very high92.1Very high8 Ų843.6 Ų43.65%0.05224%0.238CC..  trans-69143.7179.828.3-32.1000110.7K199 L201 V262 F278 A281K199-P259 CarbonylContact O-C 3.58Å; L201-P259 HydrophobicContact CD1-CB 3.54Å; L201-P259 HydrophobicContact CD1-CG 3.8Å; L201-P259 HydrophobicContact CG-CB 3.89Å; P259-V262 HydrophobicContact CB-CG2 4.13Å; P259-V262 HydrophobicContact CG-CG2 4.16Å; P259-F278 HydrophobicContact CG-CB 4.26Å; P259-F278 HydrophobicContact CG-CD1 3.91Å; P259-F278 HydrophobicContact CG-CE1 4.4Å; P259-F278 HydrophobicContact CG-CG 4Å; P259-A281 HydrophobicContact CB-CB 4.4Å; P259-A281 HydrophobicContact CG-CB 4Å; P259-A281 WeakPolarHBondContact O-CA 3.5Å; P259-A281 VanDerWaalsContact O-CB 3.23Å; P259-A281 WeakPolarHBondContact O-CB 2.9Å
260E95.3Very high92Very high118 Ų11843.8 Ų43.855%0.55124%0.239SC*.SBendtrans-90.7-35.5173.6-70.5168.6-155.200110.5K199 N282K199-E260 HydrophobicContact CB-CG 4.42Å; K199-E260 HydrophobicContact CD-CG 4.23Å; K199-E260 WeakPolarHBondContact CD-OE1 3.35Å; K199-E260 WeakPolarHBondContact CE-OE1 3.42Å; K199-E260 PolarHBondContact O-N 2.86Å; E260-N282 PolarHBondContact O-N 3.44Å
261S92.4Very high92Very high27 Ų2743.9 Ų43.919%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-137144.2175.476.70000112.1K199 N200 L201 N282K199-S261 PolarHBondContact O-N 3.04Å; K199-S261 VanDerWaalsContact O-N 3.13Å; N200-S261 PolarHBondContact OD1-OG 2.84Å; L201-S261 PolarHBondContact N-O 3.16Å; S261-N282 WeakPolarHBondContact CA-O 3.44Å
262V93.1Very high92.1Very high2 Ų242.1 Ų42.11%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-130.4104.4172.3-167.70000108.6L201 A203 P259 M264 V274 A281 N282 A283 V284L201-V262 HydrophobicContact CB-CB 4.49Å; L201-V262 HydrophobicContact CB-CG1 4.1Å; L201-V262 HydrophobicContact CB-CG2 4.25Å; L201-V262 HydrophobicContact CD1-CG2 4.27Å; L201-V262 WeakPolarHBondContact O-CA 3.41Å; A203-V262 HydrophobicContact CB-CG1 3.87Å; P259-V262 HydrophobicContact CB-CG2 4.13Å; P259-V262 HydrophobicContact CG-CG2 4.16Å; V262-M264 HydrophobicContact CB-CE 3.83Å; V262-M264 HydrophobicContact CG1-CE 3.29Å; V262-V274 HydrophobicContact CB-CG1 4.07Å; V262-V274 HydrophobicContact CG1-CG1 4.33Å; V262-V274 HydrophobicContact CG2-CG1 3.87Å; V262-A281 HydrophobicContact CG2-CB 4.07Å; V262-N282 PolarHBondContact N-O 3.29Å; V262-A283 WeakPolarHBondContact O-CA 3.34Å; V262-V284 PolarHBondContact O-N 3.1Å
263S90.6Very high92.3Very high26 Ų2635.4 Ų35.418%0.18220%0.203CC..EExtended strand (participates in β ladder)trans-84.2129.7174.5176.30000110.1L201 V202 A203 V284L201-S263 PolarHBondContact O-N 3.24Å; V202-S263 CarbonylContact C-O 3.57Å; V202-S263 VanDerWaalsContact CA-O 3.31Å; V202-S263 WeakPolarHBondContact CA-O 3.48Å; A203-S263 PolarHBondContact N-O 3.14Å; S263-V284 CarbonylContact C-O 3.47Å; S263-V284 WeakPolarHBondContact CA-O 3.29Å
264M90.2Very high92.6Very high3 Ų333.3 Ų33.32%0.01519%0.193CC..EExtended strand (participates in β ladder)trans-150.2177.1-17763-175.47100113.8A203 V262 M271 V274 A283 V284 G285 C286A203-M264 HydrophobicContact CB-CB 3.86Å; A203-M264 HydrophobicContact CB-CE 4.16Å; A203-M264 WeakPolarHBondContact O-CA 3.38Å; A203-M264 WeakPolarHBondContact O-CB 3.47Å; V262-M264 HydrophobicContact CB-CE 3.83Å; V262-M264 HydrophobicContact CG1-CE 3.29Å; M264-M271 HydrophobicContact CG-CG 4.03Å; M264-M271 HydrophobicContact SD-CB 4.2Å; M264-M271 HydrophobicContact SD-CG 3.49Å; M264-M271 WeakPolarHBondContact SD-CG 3.33Å; M264-V274 HydrophobicContact CE-CB 3.85Å; M264-V274 HydrophobicContact CE-CG1 3.99Å; M264-V274 HydrophobicContact CE-CG2 3.49Å; M264-V274 VanDerWaalsContact CE-CG2 3.49Å; M264-V274 HydrophobicContact SD-CG2 4.42Å; M264-A283 HydrophobicContact CE-CB 4.32Å; M264-V284 PolarHBondContact N-O 2.7Å; M264-G285 WeakPolarHBondContact O-CA 3.37Å; M264-C286 PolarHBondContact O-N 2.91Å
265D86.9Confident92.6Very high46 Ų4636.1 Ų36.125%0.24621%0.212CC..  trans-68.8162.2168.3-69.747000111D267 H289D265-D267 PolarHBondContact O-N 3.32Å; D265-H289 VanDerWaalsContact CG-CG 3.45Å; D265-H289 IonicContact OD1-CD2 3.66Å; D265-H289 PolarHBondContact OD1-CD2 3.44Å; D265-H289 VanDerWaalsContact OD1-CD2 3.27Å; D265-H289 IonicContact OD1-CE1 2.87Å; D265-H289 PolarHBondContact OD1-CE1 3.18Å; D265-H289 IonicContact OD1-CG 2.61Å; D265-H289 VanDerWaalsContact OD1-CG 3.31Å; D265-H289 IonicContact OD1-ND1 2.68Å; D265-H289 PolarHBondContact OD1-ND1 3.04Å; D265-H289 IonicContact OD1-NE2 2.75Å; D265-H289 PolarHBondContact OD1-NE2 3.11Å; D265-H289 IonicContact OD2-CD2 3.93Å; D265-H289 PolarHBondContact OD2-CD2 3.13Å; D265-H289 IonicContact OD2-CG 3.06Å; D265-H289 IonicContact OD2-NE2 3.95Å
266F88.6Confident93Very high7 Ų733.3 Ų33.33%0.03120%0.198CC..SBendtrans-78.356.8174.2-63.5-86.3000111.4H289 L290 R293 Y357 F372 W377F266-H289 HydrophobicContact CD2-CB 4.24Å; F266-H289 HydrophobicContact CE2-CB 4.38Å; F266-L290 HydrophobicContact CE2-CB 3.68Å; F266-L290 HydrophobicContact CE2-CD1 4.11Å; F266-L290 HydrophobicContact CE2-CG 4.48Å; F266-L290 HydrophobicContact CZ-CB 4.12Å; F266-L290 HydrophobicContact CZ-CD1 4.18Å; F266-R293 PolarHBondContact O-NH1 3.44Å; F266-Y357 AromaticContact CD1-CE1 3.88Å; F266-Y357 HydrophobicContact CD1-CE1 3.88Å; F266-Y357 HydrophobicContact CE1-CD1 4.45Å; F266-Y357 AromaticContact CE1-CE1 3.85Å; F266-Y357 HydrophobicContact CE1-CE1 3.85Å; F266-Y357 HydrophobicContact CG-CE1 4.32Å; F266-Y357 HydrophobicContact CZ-CE1 4.28Å; F266-F372 HydrophobicContact CB-CD1 4.2Å; F266-F372 HydrophobicContact CB-CD2 4.33Å; F266-F372 HydrophobicContact CB-CE1 3.91Å; F266-F372 HydrophobicContact CB-CE2 4.07Å; F266-F372 HydrophobicContact CB-CG 4.4Å; F266-F372 HydrophobicContact CB-CZ 3.85Å; F266-F372 HydrophobicContact CD1-CB 3.93Å; F266-F372 AromaticContact CD1-CD1 3.72Å; F266-F372 HydrophobicContact CD1-CD1 3.72Å; F266-F372 HydrophobicContact CD1-CD2 4.19Å; F266-F372 HydrophobicContact CD1-CE1 4.29Å; F266-F372 AromaticContact CD1-CG 3.66Å; F266-F372 HydrophobicContact CD1-CG 3.66Å; F266-F372 HydrophobicContact CE1-CB 4.26Å; F266-F372 HydrophobicContact CE1-CG 4.47Å; F266-F372 HydrophobicContact CG-CD1 4.48Å; F266-F372 HydrophobicContact CG-CG 4.48Å; F266-F372 WeakPolarHBondContact O-CZ 3.48Å; F266-W377 HydrophobicContact CE1-CB 3.75Å; F266-W377 HydrophobicContact CE1-CG 4.44Å; F266-W377 HydrophobicContact CZ-CB 3.64Å
267D89.9Confident93.2Very high38 Ų3828.6 Ų28.620%0.20317%0.173CC..  trans-96.7109.4170-179.2-40.4000107.9Y243 D265 A269 A270 M271Y243-D267 PolarHBondContact OH-OD2 3.37Å; D265-D267 PolarHBondContact O-N 3.32Å; D267-A269 PolarHBondContact O-N 3.23Å; D267-A269 WeakPolarHBondContact OD1-CA 3.34Å; D267-A269 VanDerWaalsContact OD1-CB 3.32Å; D267-A269 WeakPolarHBondContact OD1-CB 3.4Å; D267-A269 PolarHBondContact OD1-N 2.87Å; D267-A270 HydrophobicContact CB-CB 3.9Å; D267-A270 PolarHBondContact O-N 3.21Å; D267-A270 PolarHBondContact OD1-N 3.32Å; D267-M271 WeakPolarHBondContact O-CG 3.46Å; D267-M271 PolarHBondContact O-N 2.86Å
268Q91.1Very high93.2Very high64 Ų6429 Ų2930%0.29918%0.175SC..Hα-helixtrans-57.8-39.4-176.5-169.867.75700112.1N272 P371 F372Q268-N272 PolarHBondContact NE2-OD1 3.11Å; Q268-N272 VanDerWaalsContact O-CB 3.27Å; Q268-N272 WeakPolarHBondContact O-CB 3.31Å; Q268-N272 PolarHBondContact O-N 2.92Å; Q268-N272 PolarHBondContact O-ND2 2.84Å; Q268-N272 PolarHBondContact O-OD1 3.35Å; Q268-P371 VanDerWaalsContact OE1-CB 3.29Å; Q268-P371 PolarHBondContact OE1-O 2.94Å; Q268-F372 HydrophobicContact CB-CE1 4.31Å; Q268-F372 HydrophobicContact CB-CZ 4.3Å
269A93.2Very high93.2Very high19 Ų1930.8 Ų30.816%0.15718%0.181CC..Hα-helixtrans-67.8-41.7-179.300000110.9E240 Y243 D267 A273E240-A269 HydrophobicContact CB-CB 3.8Å; Y243-A269 HydrophobicContact CD2-CB 3.87Å; Y243-A269 HydrophobicContact CE2-CB 3.92Å; D267-A269 PolarHBondContact O-N 3.23Å; D267-A269 WeakPolarHBondContact OD1-CA 3.34Å; D267-A269 VanDerWaalsContact OD1-CB 3.32Å; D267-A269 WeakPolarHBondContact OD1-CB 3.4Å; D267-A269 PolarHBondContact OD1-N 2.87Å; A269-A273 VanDerWaalsContact O-CB 3.31Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 2.79Å; A269-A273 VanDerWaalsContact O-N 3.09Å
270A92.9Very high93.2Very high5 Ų537.8 Ų37.84%0.04122%0.218CC..Hα-helixtrans-67.2-44.5175.700000112Y243 D267 A273 V274Y243-A270 HydrophobicContact CD1-CB 4.48Å; Y243-A270 HydrophobicContact CD2-CB 3.94Å; Y243-A270 HydrophobicContact CE1-CB 4.41Å; Y243-A270 HydrophobicContact CE2-CB 3.82Å; Y243-A270 HydrophobicContact CG-CB 4.24Å; D267-A270 HydrophobicContact CB-CB 3.9Å; D267-A270 PolarHBondContact O-N 3.21Å; D267-A270 PolarHBondContact OD1-N 3.32Å; A270-A273 PolarHBondContact O-N 3.4Å; A270-V274 PolarHBondContact O-N 3.5Å
271M92.7Very high93.1Very high4 Ų432.7 Ų32.72%0.0220%0.196CC..Hα-helixtrans-61.5-47.5178.2-69.8-171.492.100111.5M264 D267 A273 V274 C275 F372 L376M264-M271 HydrophobicContact CG-CG 4.03Å; M264-M271 HydrophobicContact SD-CB 4.2Å; M264-M271 HydrophobicContact SD-CG 3.49Å; M264-M271 WeakPolarHBondContact SD-CG 3.33Å; D267-M271 WeakPolarHBondContact O-CG 3.46Å; D267-M271 PolarHBondContact O-N 2.86Å; M271-A273 VanDerWaalsContact C-N 3.28Å; M271-A273 PolarHBondContact O-N 2.89Å; M271-V274 PolarHBondContact O-N 2.99Å; M271-C275 PolarHBondContact O-N 2.92Å; M271-C275 PolarHBondContact O-SG 3.12Å; M271-C275 VanDerWaalsContact O-SG 3.34Å; M271-F372 HydrophobicContact SD-CD1 3.82Å; M271-F372 HydrophobicContact SD-CE1 3.89Å; M271-L376 HydrophobicContact CE-CB 4.22Å; M271-L376 HydrophobicContact CE-CD1 3.74Å; M271-L376 HydrophobicContact CE-CD2 4.24Å; M271-L376 HydrophobicContact CE-CG 4.29Å; M271-L376 HydrophobicContact SD-CD1 4.38Å
272N93.8Very high93.1Very high55 Ų5535.8 Ų35.829%0.29421%0.211SC..Hα-helixtrans-59.4-41176.4-71.8-5.6000111.7E240 Q268 A276E240-N272 HydrophobicContact CG-CB 4.08Å; E240-N272 VanDerWaalsContact OE2-CB 3.28Å; E240-N272 WeakPolarHBondContact OE2-CB 3.23Å; E240-N272 PolarHBondContact OE2-ND2 2.98Å; Q268-N272 PolarHBondContact NE2-OD1 3.11Å; Q268-N272 VanDerWaalsContact O-CB 3.27Å; Q268-N272 WeakPolarHBondContact O-CB 3.31Å; Q268-N272 PolarHBondContact O-N 2.92Å; Q268-N272 PolarHBondContact O-ND2 2.84Å; Q268-N272 PolarHBondContact O-OD1 3.35Å; N272-A276 WeakPolarHBondContact O-CB 3.43Å; N272-A276 PolarHBondContact O-N 3.16Å
273A95.9Very high93Very high0 Ų035.8 Ų35.80%021%0.211CC..Hα-helixtrans-65-42.7178.600000112.5E240 Y243 R244 F247 A269 A270 M271 A276 V277E240-A273 HydrophobicContact CG-CB 4.5Å; Y243-A273 VanDerWaalsContact CB-CB 3.46Å; R244-A273 HydrophobicContact CB-CB 4.39Å; R244-A273 HydrophobicContact CG-CB 3.65Å; F247-A273 HydrophobicContact CD2-CB 3.89Å; F247-A273 HydrophobicContact CE2-CB 4.22Å; A269-A273 VanDerWaalsContact O-CB 3.31Å; A269-A273 WeakPolarHBondContact O-CB 3.49Å; A269-A273 PolarHBondContact O-N 2.79Å; A269-A273 VanDerWaalsContact O-N 3.09Å; A270-A273 PolarHBondContact O-N 3.4Å; M271-A273 VanDerWaalsContact C-N 3.28Å; M271-A273 PolarHBondContact O-N 2.89Å; A273-A276 PolarHBondContact O-N 3.41Å; A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 2.8Å; A273-V277 VanDerWaalsContact O-N 3.07Å
274V94.8Very high93Very high0 Ų035 Ų350%021%0.205CC..Hα-helixtrans-63.5-49.3175.5170.70000111.2F247 V262 M264 A270 M271 A276 V277 F278 A283F247-V274 HydrophobicContact CD1-CG2 4.21Å; F247-V274 HydrophobicContact CD2-CG2 3.82Å; F247-V274 HydrophobicContact CE1-CG2 3.7Å; F247-V274 HydrophobicContact CE2-CG2 3.26Å; F247-V274 HydrophobicContact CG-CG2 4.27Å; F247-V274 HydrophobicContact CZ-CG2 3.18Å; V262-V274 HydrophobicContact CB-CG1 4.07Å; V262-V274 HydrophobicContact CG1-CG1 4.33Å; V262-V274 HydrophobicContact CG2-CG1 3.87Å; M264-V274 HydrophobicContact CE-CB 3.85Å; M264-V274 HydrophobicContact CE-CG1 3.99Å; M264-V274 HydrophobicContact CE-CG2 3.49Å; M264-V274 VanDerWaalsContact CE-CG2 3.49Å; M264-V274 HydrophobicContact SD-CG2 4.42Å; A270-V274 PolarHBondContact O-N 3.5Å; M271-V274 PolarHBondContact O-N 2.99Å; V274-A276 PolarHBondContact O-N 2.67Å; V274-V277 PolarHBondContact O-N 2.7Å; V274-F278 HydrophobicContact CG1-CD2 4.42Å; V274-F278 WeakPolarHBondContact O-CA 3.36Å; V274-F278 PolarHBondContact O-N 2.93Å; V274-A283 HydrophobicContact CG1-CB 4.1Å
275C94.3Very high92.9Very high62 Ų6235.1 Ų35.142%0.41921%0.207SC..Hα-helixtrans-58.3-34178.3-690000112.3M271 P279M271-C275 PolarHBondContact O-N 2.92Å; M271-C275 PolarHBondContact O-SG 3.12Å; M271-C275 VanDerWaalsContact O-SG 3.34Å; C275-P279 VanDerWaalsContact O-CA 3.31Å; C275-P279 WeakPolarHBondContact O-CA 3.28Å
276A96.4Very high92.9Very high44 Ų4434 Ų3436%0.36420%0.203SC..Hα-helixtrans-74.4-37.7178.100000113.9N272 A273 V274N272-A276 WeakPolarHBondContact O-CB 3.43Å; N272-A276 PolarHBondContact O-N 3.16Å; A273-A276 PolarHBondContact O-N 3.41Å; V274-A276 PolarHBondContact O-N 2.67Å
277V96.9Very high92.9Very high13 Ų1334.3 Ų34.38%0.07920%0.204CC..Hα-helixtrans-87.8-34.7-176177.40000112.2F247 K251 A273 V274 P279F247-V277 HydrophobicContact CB-CB 4Å; F247-V277 HydrophobicContact CB-CG1 4.01Å; F247-V277 HydrophobicContact CB-CG2 3.89Å; K251-V277 HydrophobicContact CB-CG1 4.31Å; K251-V277 HydrophobicContact CD-CG1 3.93Å; K251-V277 PolarHBondContact NZ-O 2.77Å; A273-V277 WeakPolarHBondContact O-CG2 3.48Å; A273-V277 PolarHBondContact O-N 2.8Å; A273-V277 VanDerWaalsContact O-N 3.07Å; V274-V277 PolarHBondContact O-N 2.7Å; V277-P279 VanDerWaalsContact C-CD 3.46Å; V277-P279 WeakPolarHBondContact O-CD 3.39Å
278F96.2Very high92.6Very high13 Ų1333.5 Ų33.56%0.05720%0.201CC..  trans-122.568.9-179.9-55.7-74.5000110.4F247 K251 L257 P259 V274 N280 A281F247-F278 HydrophobicContact CB-CE2 4.06Å; F247-F278 AromaticContact CD1-CE2 3.96Å; F247-F278 HydrophobicContact CD1-CE2 3.96Å; F247-F278 HydrophobicContact CG-CE2 4.32Å; K251-F278 HydrophobicContact CB-CE1 4.2Å; K251-F278 HydrophobicContact CB-CZ 4.17Å; K251-F278 HydrophobicContact CD-CE1 4.18Å; K251-F278 HydrophobicContact CG-CE1 4.22Å; L257-F278 HydrophobicContact CD2-CE1 4.08Å; L257-F278 HydrophobicContact CD2-CZ 3.82Å; L257-F278 HydrophobicContact CG-CE1 4.25Å; L257-F278 HydrophobicContact CG-CZ 4.48Å; P259-F278 HydrophobicContact CG-CB 4.26Å; P259-F278 HydrophobicContact CG-CD1 3.91Å; P259-F278 HydrophobicContact CG-CE1 4.4Å; P259-F278 HydrophobicContact CG-CG 4Å; V274-F278 HydrophobicContact CG1-CD2 4.42Å; V274-F278 WeakPolarHBondContact O-CA 3.36Å; V274-F278 PolarHBondContact O-N 2.93Å; F278-N280 PolarHBondContact O-N 2.62Å; F278-N280 VanDerWaalsContact O-N 3.11Å; F278-A281 HydrophobicContact CB-CB 3.83Å; F278-A281 WeakPolarHBondContact O-CB 3.43Å; F278-A281 PolarHBondContact O-N 2.73Å
279P95.9Very high92.3Very high92 Ų9231 Ų3160%0.59719%0.189SC*.THydrogen-bonded Turntrans-64.3-19.5-173.626.4-36.4000114.5C275 V277C275-P279 VanDerWaalsContact O-CA 3.31Å; C275-P279 WeakPolarHBondContact O-CA 3.28Å; V277-P279 VanDerWaalsContact C-CD 3.46Å; V277-P279 WeakPolarHBondContact O-CD 3.39Å
280N95.8Very high92.2Very high155 Ų15530 Ų3083%0.82918%0.181SC*.THydrogen-bonded Turntrans-88.8-9.6177.2-61.3-23.7000112.9F278F278-N280 PolarHBondContact O-N 2.62Å; F278-N280 VanDerWaalsContact O-N 3.11Å
281A94.4Very high92.1Very high11 Ų1130.6 Ų30.69%0.09118%0.184CC..SBendtrans-86137.6-179.900000110.3P259 V262 F278 A283P259-A281 HydrophobicContact CB-CB 4.4Å; P259-A281 HydrophobicContact CG-CB 4Å; P259-A281 WeakPolarHBondContact O-CA 3.5Å; P259-A281 VanDerWaalsContact O-CB 3.23Å; P259-A281 WeakPolarHBondContact O-CB 2.9Å; V262-A281 HydrophobicContact CG2-CB 4.07Å; F278-A281 HydrophobicContact CB-CB 3.83Å; F278-A281 WeakPolarHBondContact O-CB 3.43Å; F278-A281 PolarHBondContact O-N 2.73Å; A281-A283 PolarHBondContact O-N 2.76Å
282N91.5Very high91.8Very high92 Ų9235.4 Ų35.449%0.49220%0.202SC..EExtended strand (participates in β ladder)trans-80.198.9172-168.916.5000110E260 S261 V262 V284E260-N282 PolarHBondContact O-N 3.44Å; S261-N282 WeakPolarHBondContact CA-O 3.44Å; V262-N282 PolarHBondContact N-O 3.29Å; N282-V284 WeakPolarHBondContact ND2-CG1 3.47Å; N282-V284 PolarHBondContact O-N 3.16Å; N282-V284 WeakPolarHBondContact OD1-CG1 3.01Å
283A91.5Very high91.7Very high3 Ų336.4 Ų36.43%0.02520%0.202CC..EExtended strand (participates in β ladder)trans-76.7115.5172.600000109.8V262 M264 V274 A281 L376V262-A283 WeakPolarHBondContact O-CA 3.34Å; M264-A283 HydrophobicContact CE-CB 4.32Å; V274-A283 HydrophobicContact CG1-CB 4.1Å; A281-A283 PolarHBondContact O-N 2.76Å; A283-L376 WeakPolarHBondContact O-CD2 3.32Å
284V90.4Very high91.7Very high8 Ų836.4 Ų36.45%0.04820%0.202CC..EExtended strand (participates in β ladder)trans-127139.9-174.7-65.90000111.2V262 S263 M264 N282 L376V262-V284 PolarHBondContact O-N 3.1Å; S263-V284 CarbonylContact C-O 3.47Å; S263-V284 WeakPolarHBondContact CA-O 3.29Å; M264-V284 PolarHBondContact N-O 2.7Å; N282-V284 WeakPolarHBondContact ND2-CG1 3.47Å; N282-V284 PolarHBondContact O-N 3.16Å; N282-V284 WeakPolarHBondContact OD1-CG1 3.01Å; V284-L376 CarbonylContact C-O 3.6Å
285G88.8Confident91.6Very high6 Ų639.5 Ų39.56%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-70.9137.7169.900000110.9M264 L376M264-G285 WeakPolarHBondContact O-CA 3.37Å; G285-L376 PolarHBondContact N-O 3.34Å
286C86.7Confident91.6Very high23 Ų2341.1 Ų41.116%0.15522%0.223CC..  trans-81.4134176.1-173.60000111.1M264 V288 H289 L290M264-C286 PolarHBondContact O-N 2.91Å; C286-V288 PolarHBondContact O-N 3.09Å; C286-H289 HydrophobicContact CB-CB 4.24Å; C286-H289 WeakPolarHBondContact CB-ND1 3.33Å; C286-H289 WeakPolarHBondContact O-CA 3.4Å; C286-H289 WeakPolarHBondContact O-CB 3.28Å; C286-H289 PolarHBondContact O-N 3.02Å; C286-L290 PolarHBondContact O-N 3.44Å
287F88.8Confident91.6Very high13 Ų1340.5 Ų40.56%0.05721%0.213CC..Hα-helixtrans-56.6-36.6175.1-176.8-103.3000112.7H289 L290 V291 L321 A324 F325 V379 L389 F476F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-N 3.11Å; F287-L290 HydrophobicContact CD2-CD2 4.39Å; F287-L290 WeakPolarHBondContact O-CB 3.24Å; F287-L290 PolarHBondContact O-N 2.67Å; F287-L290 VanDerWaalsContact O-N 3.12Å; F287-V291 HydrophobicContact CD1-CG2 4.12Å; F287-V291 HydrophobicContact CE1-CG2 3.72Å; F287-V291 HydrophobicContact CZ-CG2 3.98Å; F287-V291 WeakPolarHBondContact O-CG2 3.37Å; F287-V291 PolarHBondContact O-N 3.39Å; F287-L321 HydrophobicContact CE2-CB 4.47Å; F287-L321 HydrophobicContact CZ-CB 4.45Å; F287-A324 HydrophobicContact CD2-CB 3.85Å; F287-A324 HydrophobicContact CE2-CB 3.86Å; F287-F325 HydrophobicContact CD2-CE2 4.41Å; F287-F325 HydrophobicContact CD2-CZ 4.43Å; F287-F325 HydrophobicContact CE1-CE2 4.44Å; F287-F325 HydrophobicContact CE1-CZ 4.22Å; F287-F325 AromaticContact CE2-CE2 3.62Å; F287-F325 HydrophobicContact CE2-CE2 3.62Å; F287-F325 AromaticContact CE2-CZ 3.96Å; F287-F325 HydrophobicContact CE2-CZ 3.96Å; F287-F325 AromaticContact CZ-CE2 3.63Å; F287-F325 HydrophobicContact CZ-CE2 3.63Å; F287-F325 AromaticContact CZ-CZ 3.84Å; F287-F325 HydrophobicContact CZ-CZ 3.84Å; F287-V379 HydrophobicContact CB-CG1 4.3Å; F287-L389 HydrophobicContact CB-CD1 3.77Å; F287-L389 HydrophobicContact CB-CG 4.43Å; F287-L389 HydrophobicContact CD1-CD1 3.75Å; F287-L389 HydrophobicContact CD1-CD2 3.72Å; F287-L389 HydrophobicContact CD1-CG 3.82Å; F287-L389 HydrophobicContact CD2-CD1 4.35Å; F287-L389 HydrophobicContact CE1-CD1 4.45Å; F287-L389 HydrophobicContact CE1-CD2 3.82Å; F287-L389 HydrophobicContact CE1-CG 4.42Å; F287-L389 HydrophobicContact CG-CD1 3.69Å; F287-L389 HydrophobicContact CG-CD2 4.49Å; F287-L389 HydrophobicContact CG-CG 4.27Å; F287-F476 HydrophobicContact CE1-CD2 4.24Å; F287-F476 AromaticContact CZ-CD2 3.97Å; F287-F476 HydrophobicContact CZ-CD2 3.97Å; F287-F476 AromaticContact CZ-CE2 3.92Å; F287-F476 HydrophobicContact CZ-CE2 3.92Å; F287-F476 HydrophobicContact CZ-CG 4.37Å; F287-F476 HydrophobicContact CZ-CZ 4.25Å
288V82.5Confident91.6Very high22 Ų2239.9 Ų39.913%0.13321%0.209CC..Hα-helixtrans-61.7-39.3175.5-178.70000111.4C286 L290 V291 R292 T390C286-V288 PolarHBondContact O-N 3.09Å; V288-L290 VanDerWaalsContact C-N 3.35Å; V288-V291 PolarHBondContact O-N 2.89Å; V288-R292 WeakPolarHBondContact O-CG 3.36Å; V288-R292 PolarHBondContact O-N 3.15Å; V288-T390 HydrophobicContact CG2-CG2 3.69Å
289H85Confident91.7Very high10 Ų1043.4 Ų43.45%0.04623%0.231CC..Hα-helixtrans-71.2-31.8175.8-66.7123.9000112N204 D265 F266 C286 F287 R292 R293N204-H289 PolarHBondContact OD1-CE1 3.25Å; D265-H289 VanDerWaalsContact CG-CG 3.45Å; D265-H289 IonicContact OD1-CD2 3.66Å; D265-H289 PolarHBondContact OD1-CD2 3.44Å; D265-H289 VanDerWaalsContact OD1-CD2 3.27Å; D265-H289 IonicContact OD1-CE1 2.87Å; D265-H289 PolarHBondContact OD1-CE1 3.18Å; D265-H289 IonicContact OD1-CG 2.61Å; D265-H289 VanDerWaalsContact OD1-CG 3.31Å; D265-H289 IonicContact OD1-ND1 2.68Å; D265-H289 PolarHBondContact OD1-ND1 3.04Å; D265-H289 IonicContact OD1-NE2 2.75Å; D265-H289 PolarHBondContact OD1-NE2 3.11Å; D265-H289 IonicContact OD2-CD2 3.93Å; D265-H289 PolarHBondContact OD2-CD2 3.13Å; D265-H289 IonicContact OD2-CG 3.06Å; D265-H289 IonicContact OD2-NE2 3.95Å; F266-H289 HydrophobicContact CD2-CB 4.24Å; F266-H289 HydrophobicContact CE2-CB 4.38Å; C286-H289 HydrophobicContact CB-CB 4.24Å; C286-H289 WeakPolarHBondContact CB-ND1 3.33Å; C286-H289 WeakPolarHBondContact O-CA 3.4Å; C286-H289 WeakPolarHBondContact O-CB 3.28Å; C286-H289 PolarHBondContact O-N 3.02Å; F287-H289 VanDerWaalsContact C-N 3.3Å; F287-H289 PolarHBondContact O-N 3.11Å; H289-R292 PolarHBondContact CD2-NH1 3.38Å; H289-R292 PolarHBondContact NE2-NH1 2.84Å; H289-R292 PolarHBondContact O-N 3.37Å; H289-R293 WeakPolarHBondContact O-CG 3.36Å; H289-R293 PolarHBondContact O-N 3.39Å
290L90.9Very high91.7Very high0 Ų044.5 Ų44.50%023%0.228CC..Hα-helixtrans-62.8-45.6172.4-172.861000110.9F266 C286 F287 V288 R292 R293 M294 L321 A324 F353 Y357 W377F266-L290 HydrophobicContact CE2-CB 3.68Å; F266-L290 HydrophobicContact CE2-CD1 4.11Å; F266-L290 HydrophobicContact CE2-CG 4.48Å; F266-L290 HydrophobicContact CZ-CB 4.12Å; F266-L290 HydrophobicContact CZ-CD1 4.18Å; C286-L290 PolarHBondContact O-N 3.44Å; F287-L290 HydrophobicContact CD2-CD2 4.39Å; F287-L290 WeakPolarHBondContact O-CB 3.24Å; F287-L290 PolarHBondContact O-N 2.67Å; F287-L290 VanDerWaalsContact O-N 3.12Å; V288-L290 VanDerWaalsContact C-N 3.35Å; L290-R292 PolarHBondContact O-N 3.23Å; L290-R293 PolarHBondContact O-N 3.42Å; L290-M294 PolarHBondContact O-N 3.07Å; L290-L321 HydrophobicContact CD2-CD2 4.2Å; L290-L321 HydrophobicContact CG-CD2 3.84Å; L290-A324 HydrophobicContact CD2-CB 4.48Å; L290-F353 HydrophobicContact CD1-CE2 4.34Å; L290-Y357 HydrophobicContact CD1-CD1 4.16Å; L290-Y357 HydrophobicContact CD1-CE1 3.46Å; L290-Y357 VanDerWaalsContact CD1-CE1 3.46Å; L290-Y357 HydrophobicContact CD1-CE2 4.23Å; L290-Y357 VanDerWaalsContact CD1-CZ 3.49Å; L290-W377 HydrophobicContact CD2-CE3 4.39Å
291V90.6Very high91.8Very high17 Ų1741.6 Ų41.610%0.10321%0.208CC..Hα-helixtrans-60.5-44.7174.7175.20000111.1F287 V288 R293 M294 K295 L321 T478 F480F287-V291 HydrophobicContact CD1-CG2 4.12Å; F287-V291 HydrophobicContact CE1-CG2 3.72Å; F287-V291 HydrophobicContact CZ-CG2 3.98Å; F287-V291 WeakPolarHBondContact O-CG2 3.37Å; F287-V291 PolarHBondContact O-N 3.39Å; V288-V291 PolarHBondContact O-N 2.89Å; V291-R293 PolarHBondContact O-N 2.97Å; V291-M294 WeakPolarHBondContact O-CB 3.41Å; V291-M294 PolarHBondContact O-N 3.21Å; V291-K295 PolarHBondContact O-N 2.83Å; V291-K295 VanDerWaalsContact O-N 3.1Å; V291-L321 HydrophobicContact CG2-CD1 4.08Å; V291-L321 HydrophobicContact CG2-CD2 4.21Å; V291-T478 HydrophobicContact CG1-CG2 3.9Å; V291-T478 HydrophobicContact CG2-CG2 4.41Å; V291-F480 HydrophobicContact CG1-CD1 4.04Å; V291-F480 HydrophobicContact CG1-CE1 3.71Å; V291-F480 WeakPolarHBondContact O-CE1 3.11Å
292R87.8Confident91.9Very high104 Ų10444.1 Ų44.139%0.39224%0.235SC..Hα-helixtrans-61-43.3176.1-73.2175.4-176.7163.27.2112V288 H289 L290 M294 K295 T296V288-R292 WeakPolarHBondContact O-CG 3.36Å; V288-R292 PolarHBondContact O-N 3.15Å; H289-R292 PolarHBondContact CD2-NH1 3.38Å; H289-R292 PolarHBondContact NE2-NH1 2.84Å; H289-R292 PolarHBondContact O-N 3.37Å; L290-R292 PolarHBondContact O-N 3.23Å; R292-M294 VanDerWaalsContact C-N 3.33Å; R292-M294 PolarHBondContact O-N 3.48Å; R292-K295 WeakPolarHBondContact O-CB 3.48Å; R292-K295 PolarHBondContact O-N 2.79Å; R292-K295 VanDerWaalsContact O-N 3.16Å; R292-T296 PolarHBondContact O-N 2.95Å; R292-T296 PolarHBondContact O-OG1 2.9Å
293R91.1Very high92.2Very high76 Ų7640.8 Ų40.829%0.28722%0.217SC..Hα-helixtrans-62.5-39.2175.8-78.6-172.269.3134.9-7.5112.4F266 H289 L290 V291 K295 T296 K297 W352 D356 Y357F266-R293 PolarHBondContact O-NH1 3.44Å; H289-R293 WeakPolarHBondContact O-CG 3.36Å; H289-R293 PolarHBondContact O-N 3.39Å; L290-R293 PolarHBondContact O-N 3.42Å; V291-R293 PolarHBondContact O-N 2.97Å; R293-K295 VanDerWaalsContact C-N 3.31Å; R293-K295 PolarHBondContact O-N 3.04Å; R293-T296 PolarHBondContact O-N 2.8Å; R293-K297 PolarHBondContact O-N 2.7Å; R293-W352 HydrophobicContact CB-CH2 4.37Å; R293-W352 HydrophobicContact CB-CZ2 4.23Å; R293-D356 IonicContact NH2-OD2 2.64Å; R293-D356 PolarHBondContact NH2-OD2 2.8Å; R293-D356 VanDerWaalsContact NH2-OD2 3.1Å; R293-Y357 WeakPolarHBondContact CD-OH 3.04Å; R293-Y357 PolarHBondContact NE-OH 2.81Å
294M95Very high92.4Very high1 Ų142.9 Ų42.91%0.00523%0.228CC..Hα-helixtrans-56.4-46.4172.5179.863.878.400111.1L290 V291 R292 T296 K297 L298 V317 V320 L321 I349 W352 F480L290-M294 PolarHBondContact O-N 3.07Å; V291-M294 WeakPolarHBondContact O-CB 3.41Å; V291-M294 PolarHBondContact O-N 3.21Å; R292-M294 VanDerWaalsContact C-N 3.33Å; R292-M294 PolarHBondContact O-N 3.48Å; M294-T296 PolarHBondContact O-N 2.95Å; M294-K297 PolarHBondContact O-N 3.37Å; M294-L298 HydrophobicContact CG-CD1 4.34Å; M294-L298 WeakPolarHBondContact O-CG 3.48Å; M294-L298 PolarHBondContact O-N 3.38Å; M294-V317 HydrophobicContact CE-CG1 4.36Å; M294-V317 HydrophobicContact CG-CG1 3.73Å; M294-V317 HydrophobicContact SD-CG1 3.82Å; M294-V320 HydrophobicContact CE-CB 3.78Å; M294-V320 HydrophobicContact CE-CG1 3.63Å; M294-L321 HydrophobicContact CB-CD1 4.35Å; M294-L321 HydrophobicContact CB-CD2 4.08Å; M294-L321 HydrophobicContact CB-CG 4.47Å; M294-L321 HydrophobicContact CE-CD2 4.19Å; M294-L321 HydrophobicContact CE-CG 4Å; M294-L321 HydrophobicContact CG-CD1 4.17Å; M294-L321 HydrophobicContact CG-CG 4.39Å; M294-I349 HydrophobicContact CE-CG2 3.86Å; M294-I349 HydrophobicContact SD-CG2 3.6Å; M294-I349 VanDerWaalsContact SD-CG2 3.6Å; M294-W352 HydrophobicContact CB-CH2 4.48Å; M294-W352 HydrophobicContact CE-CZ3 3.77Å; M294-W352 HydrophobicContact SD-CZ3 3.75Å; M294-F480 HydrophobicContact CG-CZ 4.28Å
295K93.5Very high92.7Very high65 Ų6549.7 Ų49.728%0.28326%0.259SS..Hα-helixtrans-58.3-49.1175.7-165.6-172.2-175.3169.70112V291 R292 R293 K297 L298 V299 F480V291-K295 PolarHBondContact O-N 2.83Å; V291-K295 VanDerWaalsContact O-N 3.1Å; R292-K295 WeakPolarHBondContact O-CB 3.48Å; R292-K295 PolarHBondContact O-N 2.79Å; R292-K295 VanDerWaalsContact O-N 3.16Å; R293-K295 VanDerWaalsContact C-N 3.31Å; R293-K295 PolarHBondContact O-N 3.04Å; K295-K297 VanDerWaalsContact C-N 3.25Å; K295-K297 PolarHBondContact O-N 2.8Å; K295-L298 PolarHBondContact O-N 2.83Å; K295-V299 PolarHBondContact O-N 3.24Å; K295-F480 HydrophobicContact CB-CD1 3.57Å; K295-F480 HydrophobicContact CB-CE1 3.71Å; K295-F480 HydrophobicContact CB-CG 4.11Å; K295-F480 HydrophobicContact CB-CZ 4.34Å; K295-F480 HydrophobicContact CD-CB 3.61Å; K295-F480 HydrophobicContact CD-CD1 4Å; K295-F480 HydrophobicContact CD-CG 3.92Å; K295-F480 WeakPolarHBondContact CD-OXT 3.29Å; K295-F480 HydrophobicContact CG-CB 4.07Å; K295-F480 HydrophobicContact CG-CD1 3.83Å; K295-F480 HydrophobicContact CG-CD2 4.31Å; K295-F480 HydrophobicContact CG-CE1 4.34Å; K295-F480 HydrophobicContact CG-CG 3.84Å; K295-F480 PolarHBondContact NZ-O 3.26Å; K295-F480 PolarHBondContact NZ-OXT 3.47Å
296T93.5Very high93Very high95 Ų9553 Ų5358%0.58327%0.272SS*.Hα-helixtrans-57.8-41.5177.9-59.10000111R292 R293 M294 V299 E300R292-T296 PolarHBondContact O-N 2.95Å; R292-T296 PolarHBondContact O-OG1 2.9Å; R293-T296 PolarHBondContact O-N 2.8Å; M294-T296 PolarHBondContact O-N 2.95Å; T296-V299 PolarHBondContact O-N 3.2Å; T296-E300 PolarHBondContact O-N 2.87Å
297K96.7Very high93.5Very high32 Ų3252.9 Ų52.914%0.13927%0.268CS..Hα-helixtrans-69-38.3178.7-156.674.1-179.3169.10113.1R293 M294 K295 V299 E300 K301 I349 W352R293-K297 PolarHBondContact O-N 2.7Å; M294-K297 PolarHBondContact O-N 3.37Å; K295-K297 VanDerWaalsContact C-N 3.25Å; K295-K297 PolarHBondContact O-N 2.8Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 3.17Å; K297-E300 WeakPolarHBondContact CD-OE2 3.11Å; K297-E300 IonicContact NZ-OE1 3.84Å; K297-E300 PolarHBondContact NZ-OE1 3.48Å; K297-E300 IonicContact NZ-OE2 3.68Å; K297-E300 PolarHBondContact NZ-OE2 3.43Å; K297-E300 PolarHBondContact O-N 3.07Å; K297-K301 HydrophobicContact CG-CG 4.4Å; K297-K301 WeakPolarHBondContact O-CB 3.29Å; K297-K301 WeakPolarHBondContact O-CG 3.39Å; K297-K301 PolarHBondContact O-N 2.79Å; K297-I349 HydrophobicContact CB-CD1 4.23Å; K297-I349 HydrophobicContact CG-CD1 4Å; K297-W352 HydrophobicContact CB-CD2 4.08Å; K297-W352 HydrophobicContact CB-CE3 4.07Å; K297-W352 HydrophobicContact CB-CH2 4.24Å; K297-W352 HydrophobicContact CB-CZ2 4.26Å; K297-W352 HydrophobicContact CB-CZ3 4.15Å; K297-W352 HydrophobicContact CD-CB 4.35Å; K297-W352 HydrophobicContact CD-CD2 3.81Å; K297-W352 HydrophobicContact CD-CG 3.65Å; K297-W352 HydrophobicContact CG-CB 4.23Å; K297-W352 HydrophobicContact CG-CD2 3.5Å; K297-W352 HydrophobicContact CG-CE3 3.78Å; K297-W352 HydrophobicContact CG-CG 3.69Å; K297-W352 HydrophobicContact CG-CZ2 4.48Å; K297-W352 HydrophobicContact CG-CZ3 4.37Å
298L97.4Very high93.7Very high0 Ų057.5 Ų57.50%029%0.294CS..Hα-helixtrans-59.6-40.1172.8-71.3168.7000111.7M294 K295 G302 L303 L304 Y307 F313 V317 I349 F480M294-L298 HydrophobicContact CG-CD1 4.34Å; M294-L298 WeakPolarHBondContact O-CG 3.48Å; M294-L298 PolarHBondContact O-N 3.38Å; K295-L298 PolarHBondContact O-N 2.83Å; L298-G302 PolarHBondContact O-N 2.9Å; L298-L303 HydrophobicContact CD2-CB 3.86Å; L298-L303 PolarHBondContact O-N 2.68Å; L298-L304 HydrophobicContact CB-CB 4.47Å; L298-L304 PolarHBondContact O-N 3.1Å; L298-Y307 HydrophobicContact CD1-CD2 3.96Å; L298-Y307 HydrophobicContact CD1-CG 3.93Å; L298-F313 HydrophobicContact CD2-CE1 4.37Å; L298-V317 HydrophobicContact CD1-CG1 4.12Å; L298-V317 HydrophobicContact CD2-CG2 4.02Å; L298-I349 HydrophobicContact CD2-CD1 3.89Å; L298-I349 HydrophobicContact CD2-CG1 4.04Å; L298-I349 HydrophobicContact CG-CD1 4.35Å; L298-F480 HydrophobicContact CD1-CE2 3.81Å; L298-F480 HydrophobicContact CD1-CZ 3.96Å
299V96.9Very high94.4Very high86 Ų8661.4 Ų61.452%0.52132%0.318SS..Hα-helixtrans-65.1-50.6174.5174.40000110.8K295 T296 K297 K301 G302 L304K295-V299 PolarHBondContact O-N 3.24Å; T296-V299 PolarHBondContact O-N 3.2Å; K297-V299 VanDerWaalsContact C-N 3.28Å; K297-V299 PolarHBondContact O-N 3.17Å; V299-K301 PolarHBondContact O-N 3.28Å; V299-G302 PolarHBondContact O-N 3.44Å; V299-L304 HydrophobicContact CG2-CB 4.2Å; V299-L304 HydrophobicContact CG2-CD2 3.65Å; V299-L304 HydrophobicContact CG2-CG 4.37Å
300E97.4Very high94.9Very high116 Ų11663.3 Ų63.354%0.54233%0.328SS..Hα-helixtrans-55.8-38.6-179.9-171.5-160.4125.600112.3T296 K297T296-E300 PolarHBondContact O-N 2.87Å; K297-E300 WeakPolarHBondContact CD-OE2 3.11Å; K297-E300 IonicContact NZ-OE1 3.84Å; K297-E300 PolarHBondContact NZ-OE1 3.48Å; K297-E300 IonicContact NZ-OE2 3.68Å; K297-E300 PolarHBondContact NZ-OE2 3.43Å; K297-E300 PolarHBondContact O-N 3.07Å
301K97.1Very high95Very high93 Ų9368.8 Ų68.840%0.40436%0.362SS..THydrogen-bonded Turntrans-87.61.7179.8-61.3-59.2-177.4-175.30114.2K297 V299 L303 P348 I349K297-K301 HydrophobicContact CG-CG 4.4Å; K297-K301 WeakPolarHBondContact O-CB 3.29Å; K297-K301 WeakPolarHBondContact O-CG 3.39Å; K297-K301 PolarHBondContact O-N 2.79Å; V299-K301 PolarHBondContact O-N 3.28Å; K301-L303 VanDerWaalsContact C-N 3.26Å; K301-L303 HydrophobicContact CB-CD1 3.83Å; K301-L303 HydrophobicContact CB-CG 4.06Å; K301-L303 PolarHBondContact O-N 3.19Å; K301-P348 HydrophobicContact CB-CB 4.45Å; K301-P348 HydrophobicContact CD-CB 4.1Å; K301-P348 HydrophobicContact CG-CB 4.12Å; K301-I349 HydrophobicContact CG-CD1 4.47Å
302G97Very high95.2Very high64 Ų6474 Ų7466%0.6639%0.385SS*.THydrogen-bonded Turntrans67.124.4-178.200000114.1L298 V299L298-G302 PolarHBondContact O-N 2.9Å; V299-G302 PolarHBondContact O-N 3.44Å
303L97.1Very high95.6Very high22 Ų2269.1 Ų69.112%0.11537%0.367CS..  trans-102.3-2.7-175.2-66.4171.4000113.4L298 K301 E305 K306 Y307 F313 P348 I349L298-L303 HydrophobicContact CD2-CB 3.86Å; L298-L303 PolarHBondContact O-N 2.68Å; K301-L303 VanDerWaalsContact C-N 3.26Å; K301-L303 HydrophobicContact CB-CD1 3.83Å; K301-L303 HydrophobicContact CB-CG 4.06Å; K301-L303 PolarHBondContact O-N 3.19Å; L303-E305 PolarHBondContact O-N 3.44Å; L303-K306 PolarHBondContact O-N 2.9Å; L303-Y307 PolarHBondContact O-N 2.92Å; L303-F313 HydrophobicContact CB-CE1 4.3Å; L303-F313 HydrophobicContact CB-CZ 4.13Å; L303-F313 HydrophobicContact CD1-CZ 4.2Å; L303-F313 HydrophobicContact CD2-CZ 4.17Å; L303-F313 HydrophobicContact CG-CZ 4.39Å; L303-P348 HydrophobicContact CD1-CB 4.39Å; L303-I349 HydrophobicContact CD1-CD1 4.19Å; L303-I349 HydrophobicContact CD1-CG1 3.79Å
304L95.7Very high95.8Very high47 Ų4765.9 Ų65.925%0.24636%0.356CS..Hα-helixtrans-62.5-41.2-177.4-175.566000112.6L298 V299 Y307 N308L298-L304 HydrophobicContact CB-CB 4.47Å; L298-L304 PolarHBondContact O-N 3.1Å; V299-L304 HydrophobicContact CG2-CB 4.2Å; V299-L304 HydrophobicContact CG2-CD2 3.65Å; V299-L304 HydrophobicContact CG2-CG 4.37Å; L304-Y307 WeakPolarHBondContact O-CB 3.5Å; L304-Y307 PolarHBondContact O-N 3.17Å; L304-N308 VanDerWaalsContact O-CG 3.3Å; L304-N308 PolarHBondContact O-N 3.1Å; L304-N308 PolarHBondContact O-ND2 2.79Å
305E96Very high95.8Very high152 Ų15270.1 Ų70.171%0.7137%0.372SS*.Hα-helixtrans-62.1-45.8177.6-175.9-177.9176.700111.4L303 Y307 N308 T309L303-E305 PolarHBondContact O-N 3.44Å; E305-Y307 VanDerWaalsContact C-N 3.33Å; E305-Y307 PolarHBondContact O-N 2.87Å; E305-N308 PolarHBondContact O-N 3.17Å; E305-N308 VanDerWaalsContact O-N 3.1Å; E305-T309 WeakPolarHBondContact O-CG2 3.24Å; E305-T309 PolarHBondContact O-N 3.4Å; E305-T309 VanDerWaalsContact O-N 3.11Å; E305-T309 PolarHBondContact O-OG1 3.39Å
306K96.8Very high96Very high76 Ų7667.5 Ų67.533%0.3336%0.362SS..Hα-helixtrans-60.7-44.2175.7-168179.6176.169.10111L303 N308 T309 D310 F313 A345L303-K306 PolarHBondContact O-N 2.9Å; K306-N308 PolarHBondContact O-N 3.25Å; K306-T309 PolarHBondContact O-N 3.09Å; K306-T309 PolarHBondContact O-OG1 3.1Å; K306-D310 WeakPolarHBondContact CE-OD2 3.33Å; K306-D310 HydrophobicContact CG-CB 4.03Å; K306-D310 IonicContact NZ-OD2 3.14Å; K306-D310 PolarHBondContact NZ-OD2 2.56Å; K306-D310 VanDerWaalsContact O-CB 3.3Å; K306-D310 WeakPolarHBondContact O-CB 3.15Å; K306-D310 PolarHBondContact O-N 3.44Å; K306-F313 HydrophobicContact CB-CD1 4.11Å; K306-F313 HydrophobicContact CB-CE1 4.18Å; K306-F313 HydrophobicContact CD-CB 4.46Å; K306-F313 HydrophobicContact CD-CD1 4.03Å; K306-F313 HydrophobicContact CD-CD2 3.98Å; K306-F313 HydrophobicContact CD-CE1 4.27Å; K306-F313 HydrophobicContact CD-CE2 4.22Å; K306-F313 HydrophobicContact CD-CG 3.89Å; K306-F313 HydrophobicContact CD-CZ 4.37Å; K306-F313 HydrophobicContact CG-CB 4.31Å; K306-F313 HydrophobicContact CG-CD1 3.77Å; K306-F313 HydrophobicContact CG-CE1 4.22Å; K306-F313 HydrophobicContact CG-CG 3.95Å; K306-A345 HydrophobicContact CD-CB 4.17Å
307Y95.7Very high96.1Very high20 Ų2063 Ų638%0.07833%0.334CS..Hα-helixtrans-55.8-38.9173.9176.1-86.1000112.8L298 L303 L304 E305 A314 V317 T478 F480L298-Y307 HydrophobicContact CD1-CD2 3.96Å; L298-Y307 HydrophobicContact CD1-CG 3.93Å; L303-Y307 PolarHBondContact O-N 2.92Å; L304-Y307 WeakPolarHBondContact O-CB 3.5Å; L304-Y307 PolarHBondContact O-N 3.17Å; E305-Y307 VanDerWaalsContact C-N 3.33Å; E305-Y307 PolarHBondContact O-N 2.87Å; Y307-A314 HydrophobicContact CD2-CB 3.92Å; Y307-A314 HydrophobicContact CE2-CB 3.79Å; Y307-A314 HydrophobicContact CG-CB 4.49Å; Y307-A314 WeakPolarHBondContact O-CB 3.44Å; Y307-V317 HydrophobicContact CD2-CB 3.87Å; Y307-V317 HydrophobicContact CD2-CG1 3.91Å; Y307-V317 HydrophobicContact CD2-CG2 3.98Å; Y307-V317 HydrophobicContact CE2-CB 3.96Å; Y307-V317 HydrophobicContact CE2-CG1 3.84Å; Y307-T478 PolarHBondContact OH-OG1 3.05Å; Y307-F480 AromaticContact CD1-CD2 3.94Å; Y307-F480 HydrophobicContact CD1-CD2 3.94Å; Y307-F480 AromaticContact CD1-CE2 3.7Å; Y307-F480 HydrophobicContact CD1-CE2 3.7Å; Y307-F480 HydrophobicContact CD2-CE2 4.18Å; Y307-F480 AromaticContact CE1-CD2 3.34Å; Y307-F480 HydrophobicContact CE1-CD2 3.34Å; Y307-F480 AromaticContact CE1-CE2 3.19Å; Y307-F480 HydrophobicContact CE1-CE2 3.19Å; Y307-F480 HydrophobicContact CE1-CZ 4.44Å; Y307-F480 AromaticContact CE2-CE2 3.7Å; Y307-F480 HydrophobicContact CE2-CE2 3.7Å; Y307-F480 HydrophobicContact CE2-CZ 4.35Å; Y307-F480 HydrophobicContact CG-CE2 4.18Å; Y307-F480 AromaticContact CZ-CD2 3.74Å; Y307-F480 AromaticContact CZ-CE2 3.18Å; Y307-F480 WeakPolarHBondContact OH-CE2 3.14Å
308N94.4Very high96.1Very high110 Ų11063.5 Ų63.559%0.58834%0.335SS*.Hα-helixtrans-78-19.4-178.9-68.2-26.9000114.1L304 E305 K306L304-N308 VanDerWaalsContact O-CG 3.3Å; L304-N308 PolarHBondContact O-N 3.1Å; L304-N308 PolarHBondContact O-ND2 2.79Å; E305-N308 PolarHBondContact O-N 3.17Å; E305-N308 VanDerWaalsContact O-N 3.1Å; K306-N308 PolarHBondContact O-N 3.25Å
309T95.9Very high96.1Very high104 Ų10463.9 Ų63.964%0.63834%0.337SS*.Hα-helixtrans-114.7-24.6-170.152.50000113.9E305 K306E305-T309 WeakPolarHBondContact O-CG2 3.24Å; E305-T309 PolarHBondContact O-N 3.4Å; E305-T309 VanDerWaalsContact O-N 3.11Å; E305-T309 PolarHBondContact O-OG1 3.39Å; K306-T309 PolarHBondContact O-N 3.09Å; K306-T309 PolarHBondContact O-OG1 3.1Å
310D96.2Very high96.1Very high49 Ų4959.8 Ų59.826%0.26231%0.312SS..  trans-111.1105.7-176.9179.9-21.1000109.6K306 E312 F313 A314K306-D310 WeakPolarHBondContact CE-OD2 3.33Å; K306-D310 HydrophobicContact CG-CB 4.03Å; K306-D310 IonicContact NZ-OD2 3.14Å; K306-D310 PolarHBondContact NZ-OD2 2.56Å; K306-D310 VanDerWaalsContact O-CB 3.3Å; K306-D310 WeakPolarHBondContact O-CB 3.15Å; K306-D310 PolarHBondContact O-N 3.44Å; D310-E312 VanDerWaalsContact C-N 3.31Å; D310-E312 PolarHBondContact O-N 2.87Å; D310-E312 PolarHBondContact OD1-N 3.33Å; D310-E312 VanDerWaalsContact OD1-N 3.13Å; D310-F313 HydrophobicContact CB-CB 3.84Å; D310-F313 VanDerWaalsContact CG-CB 3.42Å; D310-F313 PolarHBondContact O-N 3.46Å; D310-F313 PolarHBondContact OD1-N 2.83Å; D310-A314 WeakPolarHBondContact O-CB 3.23Å; D310-A314 PolarHBondContact O-N 3.19Å
311T93.8Very high96.1Very high116 Ų11654.3 Ų54.371%0.71229%0.287SS*.Hα-helixtrans-65.3-32.3-175.152.50000113.1R315T311-R315 WeakPolarHBondContact O-CB 3.46Å; T311-R315 PolarHBondContact O-N 3.42Å
312E94.3Very high96Very high126 Ų12649.9 Ų49.959%0.58927%0.267SS*.Hα-helixtrans-74.9-42.4178.6-173.6178.2-172.400110.9D310 R315 S316D310-E312 VanDerWaalsContact C-N 3.31Å; D310-E312 PolarHBondContact O-N 2.87Å; D310-E312 PolarHBondContact OD1-N 3.33Å; D310-E312 VanDerWaalsContact OD1-N 3.13Å; E312-R315 PolarHBondContact O-N 3.49Å; E312-S316 PolarHBondContact O-N 2.71Å; E312-S316 PolarHBondContact O-OG 3.41Å
313F96Very high96Very high1 Ų146.8 Ų46.80%0.00424%0.236CC..Hα-helixtrans-62.5-44.3172.3-178.1-100.9000111.3L298 L303 K306 D310 R315 S316 V317 A345 L346L298-F313 HydrophobicContact CD2-CE1 4.37Å; L303-F313 HydrophobicContact CB-CE1 4.3Å; L303-F313 HydrophobicContact CB-CZ 4.13Å; L303-F313 HydrophobicContact CD1-CZ 4.2Å; L303-F313 HydrophobicContact CD2-CZ 4.17Å; L303-F313 HydrophobicContact CG-CZ 4.39Å; K306-F313 HydrophobicContact CB-CD1 4.11Å; K306-F313 HydrophobicContact CB-CE1 4.18Å; K306-F313 HydrophobicContact CD-CB 4.46Å; K306-F313 HydrophobicContact CD-CD1 4.03Å; K306-F313 HydrophobicContact CD-CD2 3.98Å; K306-F313 HydrophobicContact CD-CE1 4.27Å; K306-F313 HydrophobicContact CD-CE2 4.22Å; K306-F313 HydrophobicContact CD-CG 3.89Å; K306-F313 HydrophobicContact CD-CZ 4.37Å; K306-F313 HydrophobicContact CG-CB 4.31Å; K306-F313 HydrophobicContact CG-CD1 3.77Å; K306-F313 HydrophobicContact CG-CE1 4.22Å; K306-F313 HydrophobicContact CG-CG 3.95Å; D310-F313 HydrophobicContact CB-CB 3.84Å; D310-F313 VanDerWaalsContact CG-CB 3.42Å; D310-F313 PolarHBondContact O-N 3.46Å; D310-F313 PolarHBondContact OD1-N 2.83Å; F313-R315 VanDerWaalsContact C-N 3.32Å; F313-R315 PolarHBondContact O-N 3.43Å; F313-S316 WeakPolarHBondContact O-CB 3.48Å; F313-S316 PolarHBondContact O-N 3.06Å; F313-S316 VanDerWaalsContact O-N 3.1Å; F313-V317 HydrophobicContact CD1-CG2 4.33Å; F313-V317 HydrophobicContact CE1-CG2 3.91Å; F313-V317 HydrophobicContact CZ-CG2 4.08Å; F313-V317 PolarHBondContact O-N 3.21Å; F313-A345 HydrophobicContact CD2-CB 4.26Å; F313-A345 HydrophobicContact CE2-CB 4.05Å; F313-L346 HydrophobicContact CD2-CD1 4.47Å; F313-L346 HydrophobicContact CE2-CB 4.2Å; F313-L346 HydrophobicContact CE2-CD1 3.84Å; F313-L346 HydrophobicContact CZ-CD1 4.18Å
314A95.2Very high96Very high8 Ų845.8 Ų45.87%0.06623%0.23CC..Hα-helixtrans-59.4-42.5176.100000112.2Y307 D310 S316 V317 R318Y307-A314 HydrophobicContact CD2-CB 3.92Å; Y307-A314 HydrophobicContact CE2-CB 3.79Å; Y307-A314 HydrophobicContact CG-CB 4.49Å; Y307-A314 WeakPolarHBondContact O-CB 3.44Å; D310-A314 WeakPolarHBondContact O-CB 3.23Å; D310-A314 PolarHBondContact O-N 3.19Å; A314-S316 VanDerWaalsContact C-N 3.35Å; A314-V317 PolarHBondContact O-N 2.88Å; A314-R318 WeakPolarHBondContact O-CG 3.16Å; A314-R318 PolarHBondContact O-N 2.8Å; A314-R318 PolarHBondContact O-NH1 3.43Å
315R95.3Very high96Very high91 Ų9143.5 Ų43.534%0.34322%0.219SC..Hα-helixtrans-62.6-43.1173.9-172.3-177.2-71.1135.4-3.5111.2T311 E312 F313 V317 R318 M319 A473 D474T311-R315 WeakPolarHBondContact O-CB 3.46Å; T311-R315 PolarHBondContact O-N 3.42Å; E312-R315 PolarHBondContact O-N 3.49Å; F313-R315 VanDerWaalsContact C-N 3.32Å; F313-R315 PolarHBondContact O-N 3.43Å; R315-V317 VanDerWaalsContact C-N 3.32Å; R315-V317 PolarHBondContact O-N 2.81Å; R315-R318 CarbonylContact O-C 3.55Å; R315-R318 WeakPolarHBondContact O-CA 3.21Å; R315-R318 WeakPolarHBondContact O-CB 3.45Å; R315-R318 PolarHBondContact O-N 3.44Å; R315-R318 VanDerWaalsContact O-N 3.08Å; R315-M319 HydrophobicContact CG-SD 4.46Å; R315-M319 WeakPolarHBondContact O-CG 3.45Å; R315-M319 PolarHBondContact O-N 3.14Å; R315-A473 HydrophobicContact CG-CB 4.39Å; R315-D474 IonicContact CZ-OD1 2.83Å; R315-D474 IonicContact NE-OD1 3.1Å; R315-D474 PolarHBondContact NE-OD1 3.03Å; R315-D474 IonicContact NE-OD2 2.99Å; R315-D474 IonicContact NH2-OD1 3.1Å
316S96.8Very high96Very high9 Ų936.3 Ų36.36%0.06319%0.185CC..Hα-helixtrans-62-39.6178.5-55.40000111.9E312 F313 A314 R318 M319 V320 F338 P343E312-S316 PolarHBondContact O-N 2.71Å; E312-S316 PolarHBondContact O-OG 3.41Å; F313-S316 WeakPolarHBondContact O-CB 3.48Å; F313-S316 PolarHBondContact O-N 3.06Å; F313-S316 VanDerWaalsContact O-N 3.1Å; A314-S316 VanDerWaalsContact C-N 3.35Å; S316-R318 PolarHBondContact O-N 2.8Å; S316-M319 WeakPolarHBondContact O-CB 3.48Å; S316-M319 PolarHBondContact O-N 2.99Å; S316-M319 VanDerWaalsContact O-N 3.17Å; S316-V320 PolarHBondContact O-N 3.25Å; S316-V320 VanDerWaalsContact O-N 3.16Å; S316-F338 VanDerWaalsContact O-CZ 3.32Å; S316-F338 WeakPolarHBondContact O-CZ 3.03Å; S316-P343 WeakPolarHBondContact OG-CD 3.42Å
317V97Very high96Very high0 Ų033.3 Ų33.30%017%0.173CC..Hα-helixtrans-60.8-43.9171.2168.90000111.5M294 L298 Y307 F313 A314 R315 M319 V320 L321 L346M294-V317 HydrophobicContact CE-CG1 4.36Å; M294-V317 HydrophobicContact CG-CG1 3.73Å; M294-V317 HydrophobicContact SD-CG1 3.82Å; L298-V317 HydrophobicContact CD1-CG1 4.12Å; L298-V317 HydrophobicContact CD2-CG2 4.02Å; Y307-V317 HydrophobicContact CD2-CB 3.87Å; Y307-V317 HydrophobicContact CD2-CG1 3.91Å; Y307-V317 HydrophobicContact CD2-CG2 3.98Å; Y307-V317 HydrophobicContact CE2-CB 3.96Å; Y307-V317 HydrophobicContact CE2-CG1 3.84Å; F313-V317 HydrophobicContact CD1-CG2 4.33Å; F313-V317 HydrophobicContact CE1-CG2 3.91Å; F313-V317 HydrophobicContact CZ-CG2 4.08Å; F313-V317 PolarHBondContact O-N 3.21Å; A314-V317 PolarHBondContact O-N 2.88Å; R315-V317 VanDerWaalsContact C-N 3.32Å; R315-V317 PolarHBondContact O-N 2.81Å; V317-M319 VanDerWaalsContact C-N 3.29Å; V317-M319 PolarHBondContact O-N 3.1Å; V317-V320 WeakPolarHBondContact O-CB 3.44Å; V317-V320 PolarHBondContact O-N 3.34Å; V317-L321 PolarHBondContact O-N 2.77Å; V317-L346 HydrophobicContact CG2-CD1 3.57Å
318R96.2Very high96Very high43 Ų4336.3 Ų36.316%0.16219%0.19CC..Hα-helixtrans-64.7-32.6174.7-68.8-169.1-56.5-82.31.9112.1A314 R315 S316 V320 L321 A322 A473 D474 F476 T478A314-R318 WeakPolarHBondContact O-CG 3.16Å; A314-R318 PolarHBondContact O-N 2.8Å; A314-R318 PolarHBondContact O-NH1 3.43Å; R315-R318 CarbonylContact O-C 3.55Å; R315-R318 WeakPolarHBondContact O-CA 3.21Å; R315-R318 WeakPolarHBondContact O-CB 3.45Å; R315-R318 PolarHBondContact O-N 3.44Å; R315-R318 VanDerWaalsContact O-N 3.08Å; S316-R318 PolarHBondContact O-N 2.8Å; R318-V320 VanDerWaalsContact C-N 3.3Å; R318-V320 PolarHBondContact O-N 2.92Å; R318-L321 CarbonylContact O-C 3.56Å; R318-L321 WeakPolarHBondContact O-CB 3.29Å; R318-L321 PolarHBondContact O-N 3.41Å; R318-L321 VanDerWaalsContact O-N 3.16Å; R318-A322 WeakPolarHBondContact O-CB 3.26Å; R318-A322 PolarHBondContact O-N 2.87Å; R318-A473 HydrophobicContact CB-CB 3.66Å; R318-A473 WeakPolarHBondContact CD-O 3.46Å; R318-A473 PolarHBondContact NE-O 3.41Å; R318-D474 IonicContact NH2-OD1 3.81Å; R318-F476 HydrophobicContact CB-CE2 4.33Å; R318-F476 HydrophobicContact CB-CZ 4.39Å; R318-F476 VanDerWaalsContact O-CZ 3.3Å; R318-F476 WeakPolarHBondContact O-CZ 3.37Å; R318-T478 WeakPolarHBondContact CD-OG1 3.45Å; R318-T478 HydrophobicContact CG-CG2 4.01Å
319M97.3Very high96Very high8 Ų838.2 Ų38.24%0.03920%0.201CC..Hα-helixtrans-64.8-31.9173.9-69.517469.700112.5R315 S316 V317 A322 F338 V466 L469 R470 A473R315-M319 HydrophobicContact CG-SD 4.46Å; R315-M319 WeakPolarHBondContact O-CG 3.45Å; R315-M319 PolarHBondContact O-N 3.14Å; S316-M319 WeakPolarHBondContact O-CB 3.48Å; S316-M319 PolarHBondContact O-N 2.99Å; S316-M319 VanDerWaalsContact O-N 3.17Å; V317-M319 VanDerWaalsContact C-N 3.29Å; V317-M319 PolarHBondContact O-N 3.1Å; M319-A322 WeakPolarHBondContact O-CB 2.91Å; M319-A322 PolarHBondContact O-N 3.31Å; M319-F338 HydrophobicContact CB-CD2 4.34Å; M319-F338 HydrophobicContact CB-CE1 4.25Å; M319-F338 HydrophobicContact CB-CE2 3.75Å; M319-F338 HydrophobicContact CB-CZ 3.71Å; M319-F338 HydrophobicContact CE-CD2 3.56Å; M319-F338 HydrophobicContact CE-CE2 3.7Å; M319-F338 HydrophobicContact CG-CE2 4.45Å; M319-F338 HydrophobicContact SD-CD2 4.39Å; M319-F338 HydrophobicContact SD-CE2 3.9Å; M319-V466 HydrophobicContact CE-CG1 3.85Å; M319-V466 WeakPolarHBondContact CE-O 3.43Å; M319-L469 HydrophobicContact CB-CB 4.25Å; M319-L469 HydrophobicContact CE-CB 3.82Å; M319-L469 HydrophobicContact CG-CB 4.29Å; M319-R470 HydrophobicContact CE-CB 4.12Å; M319-R470 HydrophobicContact SD-CB 4.23Å; M319-A473 HydrophobicContact CG-CB 3.7Å
320V97.5Very high96.1Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-61.4-48.2170.1-177.80000110.2M294 S316 V317 R318 A322 L323 F338 L346 I349 L350 F353M294-V320 HydrophobicContact CE-CB 3.78Å; M294-V320 HydrophobicContact CE-CG1 3.63Å; S316-V320 PolarHBondContact O-N 3.25Å; S316-V320 VanDerWaalsContact O-N 3.16Å; V317-V320 WeakPolarHBondContact O-CB 3.44Å; V317-V320 PolarHBondContact O-N 3.34Å; R318-V320 VanDerWaalsContact C-N 3.3Å; R318-V320 PolarHBondContact O-N 2.92Å; V320-A322 PolarHBondContact O-N 2.78Å; V320-L323 VanDerWaalsContact O-CB 3.3Å; V320-L323 WeakPolarHBondContact O-CB 2.98Å; V320-L323 WeakPolarHBondContact O-CD1 3.27Å; V320-L323 WeakPolarHBondContact O-CG 3.45Å; V320-L323 PolarHBondContact O-N 3.19Å; V320-F338 HydrophobicContact CG2-CE1 3.69Å; V320-F338 HydrophobicContact CG2-CZ 4.23Å; V320-L346 HydrophobicContact CG2-CD2 4.07Å; V320-I349 HydrophobicContact CG2-CG2 4.33Å; V320-L350 HydrophobicContact CG2-CD2 3.93Å; V320-F353 HydrophobicContact CG1-CB 3.94Å; V320-F353 HydrophobicContact CG1-CD1 4.04Å; V320-F353 HydrophobicContact CG1-CD2 3.48Å; V320-F353 VanDerWaalsContact CG1-CD2 3.48Å; V320-F353 HydrophobicContact CG1-CE1 4.45Å; V320-F353 HydrophobicContact CG1-CE2 3.94Å; V320-F353 HydrophobicContact CG1-CG 3.53Å; V320-F353 HydrophobicContact CG1-CZ 4.4Å
321L96.2Very high96.1Very high1 Ų131.5 Ų31.51%0.00516%0.162CC..Hα-helixtrans-63.8-30.7176.6-69.5166.2000112.4F287 L290 V291 M294 V317 R318 L323 A324 F476 T478F287-L321 HydrophobicContact CE2-CB 4.47Å; F287-L321 HydrophobicContact CZ-CB 4.45Å; L290-L321 HydrophobicContact CD2-CD2 4.2Å; L290-L321 HydrophobicContact CG-CD2 3.84Å; V291-L321 HydrophobicContact CG2-CD1 4.08Å; V291-L321 HydrophobicContact CG2-CD2 4.21Å; M294-L321 HydrophobicContact CB-CD1 4.35Å; M294-L321 HydrophobicContact CB-CD2 4.08Å; M294-L321 HydrophobicContact CB-CG 4.47Å; M294-L321 HydrophobicContact CE-CD2 4.19Å; M294-L321 HydrophobicContact CE-CG 4Å; M294-L321 HydrophobicContact CG-CD1 4.17Å; M294-L321 HydrophobicContact CG-CG 4.39Å; V317-L321 PolarHBondContact O-N 2.77Å; R318-L321 CarbonylContact O-C 3.56Å; R318-L321 WeakPolarHBondContact O-CB 3.29Å; R318-L321 PolarHBondContact O-N 3.41Å; R318-L321 VanDerWaalsContact O-N 3.16Å; L321-L323 PolarHBondContact O-N 3.36Å; L321-A324 WeakPolarHBondContact O-CB 3.1Å; L321-A324 PolarHBondContact O-N 3.1Å; L321-A324 VanDerWaalsContact O-N 3.13Å; L321-F476 HydrophobicContact CB-CE2 3.84Å; L321-F476 HydrophobicContact CB-CZ 3.83Å; L321-F476 HydrophobicContact CD1-CE2 4.3Å; L321-T478 HydrophobicContact CD1-CG2 3.47Å; L321-T478 VanDerWaalsContact CD1-CG2 3.47Å
322A96.2Very high96.1Very high0 Ų031 Ų310%015%0.151CC..Hα-helixtrans-65.1-16.5179.100000113.2R318 M319 V320 A324 F325 L469 M472 F476R318-A322 WeakPolarHBondContact O-CB 3.26Å; R318-A322 PolarHBondContact O-N 2.87Å; M319-A322 WeakPolarHBondContact O-CB 2.91Å; M319-A322 PolarHBondContact O-N 3.31Å; V320-A322 PolarHBondContact O-N 2.78Å; A322-A324 PolarHBondContact O-N 2.81Å; A322-A324 VanDerWaalsContact O-N 3.13Å; A322-F325 PolarHBondContact O-N 3.13Å; A322-L469 HydrophobicContact CB-CB 4.4Å; A322-L469 HydrophobicContact CB-CD2 3.72Å; A322-M472 HydrophobicContact CB-CB 3.95Å; A322-M472 HydrophobicContact CB-CG 4.04Å; A322-F476 HydrophobicContact CB-CE1 3.97Å; A322-F476 HydrophobicContact CB-CZ 4.1Å
323L97.4Very high96.1Very high0 Ų029 Ų290%014%0.141CC..G310 helixtrans-57.6-24.3171.8-68.4165000112.2V320 L321 F325 V326 A334 F335 F353 W377 L469V320-L323 VanDerWaalsContact O-CB 3.3Å; V320-L323 WeakPolarHBondContact O-CB 2.98Å; V320-L323 WeakPolarHBondContact O-CD1 3.27Å; V320-L323 WeakPolarHBondContact O-CG 3.45Å; V320-L323 PolarHBondContact O-N 3.19Å; L321-L323 PolarHBondContact O-N 3.36Å; L323-F325 PolarHBondContact O-N 2.8Å; L323-F325 VanDerWaalsContact O-N 3.15Å; L323-V326 PolarHBondContact O-N 3.41Å; L323-V326 VanDerWaalsContact O-N 3.13Å; L323-A334 HydrophobicContact CD2-CB 4.02Å; L323-F335 HydrophobicContact CD1-CB 4.47Å; L323-F335 HydrophobicContact CD1-CD2 3.81Å; L323-F335 HydrophobicContact CD2-CB 4.33Å; L323-F353 HydrophobicContact CB-CE1 4.42Å; L323-F353 HydrophobicContact CB-CZ 4.48Å; L323-F353 HydrophobicContact CD1-CD1 4.06Å; L323-F353 HydrophobicContact CD1-CE1 3.61Å; L323-F353 HydrophobicContact CD1-CZ 4.27Å; L323-W377 HydrophobicContact CB-CH2 4.11Å; L323-W377 HydrophobicContact CB-CZ3 4.13Å; L323-L469 HydrophobicContact CD2-CD1 4.04Å; L323-L469 HydrophobicContact CD2-CD2 3.98Å; L323-L469 HydrophobicContact CG-CD2 4.2Å
324A95.6Very high96.2Very high0 Ų029 Ų290%014%0.141CC..G310 helixtrans-64.1-18.5176.900000112.8F287 L290 L321 A322 W377 S378 V379 Y380F287-A324 HydrophobicContact CD2-CB 3.85Å; F287-A324 HydrophobicContact CE2-CB 3.86Å; L290-A324 HydrophobicContact CD2-CB 4.48Å; L321-A324 WeakPolarHBondContact O-CB 3.1Å; L321-A324 PolarHBondContact O-N 3.1Å; L321-A324 VanDerWaalsContact O-N 3.13Å; A322-A324 PolarHBondContact O-N 2.81Å; A322-A324 VanDerWaalsContact O-N 3.13Å; A324-W377 VanDerWaalsContact CA-CZ3 3.48Å; A324-W377 HydrophobicContact CB-CE3 3.88Å; A324-W377 HydrophobicContact CB-CZ3 4.06Å; A324-S378 PolarHBondContact O-OG 3.14Å; A324-V379 HydrophobicContact CB-CG2 4.06Å; A324-V379 VanDerWaalsContact O-CG2 3.25Å; A324-V379 WeakPolarHBondContact O-CG2 3.5Å; A324-V379 PolarHBondContact O-N 2.75Å; A324-Y380 PolarHBondContact O-N 2.6Å
325F95.5Very high96.3Very high0 Ų028.7 Ų28.70%014%0.138CC..G310 helixtrans-103.115.3179.7-53.5-90000112.5F287 A322 L323 V379 Y380 M383 L389 I453 V457 F468 M472 F476F287-F325 HydrophobicContact CD2-CE2 4.41Å; F287-F325 HydrophobicContact CD2-CZ 4.43Å; F287-F325 HydrophobicContact CE1-CE2 4.44Å; F287-F325 HydrophobicContact CE1-CZ 4.22Å; F287-F325 AromaticContact CE2-CE2 3.62Å; F287-F325 HydrophobicContact CE2-CE2 3.62Å; F287-F325 AromaticContact CE2-CZ 3.96Å; F287-F325 HydrophobicContact CE2-CZ 3.96Å; F287-F325 AromaticContact CZ-CE2 3.63Å; F287-F325 HydrophobicContact CZ-CE2 3.63Å; F287-F325 AromaticContact CZ-CZ 3.84Å; F287-F325 HydrophobicContact CZ-CZ 3.84Å; A322-F325 PolarHBondContact O-N 3.13Å; L323-F325 PolarHBondContact O-N 2.8Å; L323-F325 VanDerWaalsContact O-N 3.15Å; F325-V379 HydrophobicContact CD1-CG2 3.54Å; F325-V379 HydrophobicContact CE1-CG2 3.46Å; F325-V379 VanDerWaalsContact CE1-CG2 3.46Å; F325-V379 HydrophobicContact CE2-CG2 4.47Å; F325-V379 HydrophobicContact CG-CG2 4.09Å; F325-V379 HydrophobicContact CZ-CG2 3.96Å; F325-Y380 WeakPolarHBondContact O-CD2 3.29Å; F325-M383 HydrophobicContact CD1-CG 3.89Å; F325-M383 HydrophobicContact CE1-CG 4.03Å; F325-M383 HydrophobicContact CE1-SD 4.42Å; F325-L389 HydrophobicContact CE1-CD1 3.71Å; F325-L389 HydrophobicContact CE1-CD2 4Å; F325-L389 HydrophobicContact CE1-CG 4.43Å; F325-L389 HydrophobicContact CZ-CD1 3.72Å; F325-L389 HydrophobicContact CZ-CD2 3.63Å; F325-L389 HydrophobicContact CZ-CG 4.32Å; F325-I453 HydrophobicContact CD1-CG2 3.65Å; F325-I453 HydrophobicContact CE1-CG2 3.49Å; F325-I453 VanDerWaalsContact CE1-CG2 3.49Å; F325-I453 HydrophobicContact CZ-CG2 4.42Å; F325-V457 HydrophobicContact CB-CG2 4.15Å; F325-V457 HydrophobicContact CD1-CG2 4.27Å; F325-F468 HydrophobicContact CB-CE1 4.21Å; F325-F468 HydrophobicContact CB-CZ 4.07Å; F325-F468 VanDerWaalsContact O-CE1 3.27Å; F325-F468 WeakPolarHBondContact O-CE1 3.33Å; F325-F468 WeakPolarHBondContact O-CZ 3.25Å; F325-M472 HydrophobicContact CB-CE 3.89Å; F325-M472 HydrophobicContact CB-CG 3.99Å; F325-M472 HydrophobicContact CB-SD 4.23Å; F325-M472 HydrophobicContact CD1-SD 4.19Å; F325-M472 HydrophobicContact CD2-CG 3.65Å; F325-M472 HydrophobicContact CD2-SD 4.22Å; F325-M472 HydrophobicContact CE2-CG 4.28Å; F325-M472 HydrophobicContact CG-CE 4.23Å; F325-M472 HydrophobicContact CG-CG 3.84Å; F325-M472 HydrophobicContact CG-SD 3.96Å; F325-F476 HydrophobicContact CD2-CE1 4.28Å; F325-F476 AromaticContact CE2-CD1 3.92Å; F325-F476 HydrophobicContact CE2-CD1 3.92Å; F325-F476 AromaticContact CE2-CE1 3.77Å; F325-F476 HydrophobicContact CE2-CE1 3.77Å; F325-F476 HydrophobicContact CE2-CZ 4.38Å; F325-F476 HydrophobicContact CZ-CD1 4.34Å
326V96.9Very high96.3Very high0 Ų027.4 Ų27.40%014%0.143CC..SBendtrans-100.5141.3176.7179.10000109L323 A330 I331 A334 F460 F468 L469L323-V326 PolarHBondContact O-N 3.41Å; L323-V326 VanDerWaalsContact O-N 3.13Å; V326-A330 HydrophobicContact CG1-CB 3.84Å; V326-I331 HydrophobicContact CB-CG1 3.79Å; V326-I331 HydrophobicContact CG1-CG1 3.88Å; V326-A334 HydrophobicContact CG1-CB 4.06Å; V326-A334 HydrophobicContact CG2-CB 4.35Å; V326-F460 HydrophobicContact CB-CE2 4.5Å; V326-F460 HydrophobicContact CG1-CE2 3.86Å; V326-F460 HydrophobicContact CG1-CZ 3.87Å; V326-F460 HydrophobicContact CG2-CE2 4.32Å; V326-F468 HydrophobicContact CG2-CD1 4Å; V326-F468 HydrophobicContact CG2-CE1 3.75Å; V326-L469 HydrophobicContact CG2-CD2 3.75Å
327P96.7Very high96.3Very high13 Ų1329.5 Ų29.58%0.08415%0.152CC..  trans-51.5142.4170.5-25.431.7000112.3D329 A330 I331 Y380 F460P327-D329 WeakPolarHBondContact CB-OD1 3.14Å; P327-D329 PolarHBondContact O-N 3.34Å; P327-D329 VanDerWaalsContact O-N 3.14Å; P327-A330 HydrophobicContact CB-CB 4.25Å; P327-A330 HydrophobicContact CG-CB 4.49Å; P327-A330 PolarHBondContact O-N 3.22Å; P327-I331 WeakPolarHBondContact O-CG1 3.45Å; P327-I331 PolarHBondContact O-N 3.01Å; P327-I331 VanDerWaalsContact O-N 3.11Å; P327-Y380 HydrophobicContact CB-CD1 4.26Å; P327-Y380 HydrophobicContact CB-CE1 4.12Å; P327-Y380 HydrophobicContact CG-CD1 4.16Å; P327-Y380 HydrophobicContact CG-CD2 4.1Å; P327-Y380 HydrophobicContact CG-CE1 3.73Å; P327-Y380 HydrophobicContact CG-CE2 3.67Å; P327-Y380 HydrophobicContact CG-CG 4.34Å; P327-F460 HydrophobicContact CG-CD1 3.44Å; P327-F460 VanDerWaalsContact CG-CD1 3.44Å; P327-F460 HydrophobicContact CG-CE1 3.55Å; P327-F460 HydrophobicContact CG-CG 4Å; P327-F460 HydrophobicContact CG-CZ 4.21Å
328L95.9Very high96.3Very high84 Ų8429.7 Ų29.744%0.4415%0.153SC..THydrogen-bonded Turntrans-55.7-36.5-175-67.5178.6000113.3A330 I331 P374L328-A330 VanDerWaalsContact C-N 3.33Å; L328-I331 HydrophobicContact CD2-CD1 4.04Å; L328-P374 HydrophobicContact CD2-CB 3.72Å
329D94.9Very high96.3Very high150 Ų15029.7 Ų29.780%0.80216%0.159SC*.THydrogen-bonded Turntrans-75-18.2178.762.5-32.8000113.8P327P327-D329 WeakPolarHBondContact CB-OD1 3.14Å; P327-D329 PolarHBondContact O-N 3.34Å; P327-D329 VanDerWaalsContact O-N 3.14Å
330A96.6Very high96.3Very high10 Ų1033.7 Ų33.78%0.08319%0.188CC..THydrogen-bonded Turntrans-105.1-9.7-179.400000114.3V326 P327 L328 E332 K333 A334 F460V326-A330 HydrophobicContact CG1-CB 3.84Å; P327-A330 HydrophobicContact CB-CB 4.25Å; P327-A330 HydrophobicContact CG-CB 4.49Å; P327-A330 PolarHBondContact O-N 3.22Å; L328-A330 VanDerWaalsContact C-N 3.33Å; A330-E332 VanDerWaalsContact C-N 3.33Å; A330-E332 PolarHBondContact O-N 2.86Å; A330-K333 PolarHBondContact O-N 3.34Å; A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.7Å; A330-F460 HydrophobicContact CB-CE1 3.75Å; A330-F460 HydrophobicContact CB-CZ 3.59Å
331I96.3Very high96.1Very high1 Ų140.4 Ų40.41%0.00522%0.217CC..Hα-helixtrans-56.9-43.8-176.9-78.7169.6000112.1V326 P327 L328 A334 F335 L358 P374 W377V326-I331 HydrophobicContact CB-CG1 3.79Å; V326-I331 HydrophobicContact CG1-CG1 3.88Å; P327-I331 WeakPolarHBondContact O-CG1 3.45Å; P327-I331 PolarHBondContact O-N 3.01Å; P327-I331 VanDerWaalsContact O-N 3.11Å; L328-I331 HydrophobicContact CD2-CD1 4.04Å; I331-A334 PolarHBondContact O-N 3.35Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.93Å; I331-L358 HydrophobicContact CG2-CD2 3.32Å; I331-P374 HydrophobicContact CD1-CB 3.79Å; I331-W377 HydrophobicContact CD1-CH2 4.07Å; I331-W377 HydrophobicContact CD1-CZ3 4.5Å; I331-W377 HydrophobicContact CG2-CH2 4.28Å
332E94.4Very high96.1Very high105 Ų10541.4 Ų41.449%0.49122%0.224SC..Hα-helixtrans-65.9-45.5-177.6-65.1-167.3-154.800112.1A330 A334 F335 S336 R367A330-E332 VanDerWaalsContact C-N 3.33Å; A330-E332 PolarHBondContact O-N 2.86Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 2.95Å; E332-F335 PolarHBondContact O-N 3.1Å; E332-S336 PolarHBondContact O-N 3.17Å; E332-S336 PolarHBondContact O-OG 3.44Å; E332-R367 VanDerWaalsContact CD-CD 3.44Å; E332-R367 VanDerWaalsContact CD-NE 3.27Å; E332-R367 IonicContact OE1-NE 2.7Å; E332-R367 WeakPolarHBondContact OE2-CD 3.47Å; E332-R367 IonicContact OE2-CZ 3.81Å; E332-R367 IonicContact OE2-NE 3.01Å; E332-R367 PolarHBondContact OE2-NE 2.73Å
333K95.1Very high96Very high85 Ų8543.3 Ų43.337%0.3724%0.237SC..Hα-helixtrans-58.7-47.6174.5-177.8-176.6179-174.50110.4A330 F335 S336 E337 S462 D463A330-K333 PolarHBondContact O-N 3.34Å; K333-F335 PolarHBondContact O-N 3.01Å; K333-S336 PolarHBondContact O-N 3Å; K333-E337 WeakPolarHBondContact CE-OE1 3.45Å; K333-E337 PolarHBondContact O-N 3.34Å; K333-S462 VanDerWaalsContact CE-O 3.3Å; K333-S462 WeakPolarHBondContact CE-O 3.1Å; K333-S462 PolarHBondContact NZ-O 3.2Å; K333-D463 IonicContact NZ-OD1 3.56Å; K333-D463 PolarHBondContact NZ-OD1 3.13Å
334A97.4Very high95.9Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-60-44.4179.400000112.1L323 V326 A330 I331 E332 F338 P465 L469L323-A334 HydrophobicContact CD2-CB 4.02Å; V326-A334 HydrophobicContact CG1-CB 4.06Å; V326-A334 HydrophobicContact CG2-CB 4.35Å; A330-A334 WeakPolarHBondContact O-CB 3.38Å; A330-A334 PolarHBondContact O-N 2.7Å; I331-A334 PolarHBondContact O-N 3.35Å; E332-A334 VanDerWaalsContact C-N 3.33Å; E332-A334 PolarHBondContact O-N 2.95Å; A334-F338 WeakPolarHBondContact O-CB 3.43Å; A334-F338 PolarHBondContact O-N 3.33Å; A334-P465 HydrophobicContact CB-CB 3.65Å; A334-L469 HydrophobicContact CB-CD1 4.38Å
335F97.2Very high96Very high3 Ų355 Ų551%0.01330%0.295CS..Hα-helixtrans-64.1-48.3177.3178.7-97.9000112L323 I331 E332 K333 F338 S339 L350 F353 E354 L358L323-F335 HydrophobicContact CD1-CB 4.47Å; L323-F335 HydrophobicContact CD1-CD2 3.81Å; L323-F335 HydrophobicContact CD2-CB 4.33Å; I331-F335 WeakPolarHBondContact O-CB 3.34Å; I331-F335 PolarHBondContact O-N 2.93Å; E332-F335 PolarHBondContact O-N 3.1Å; K333-F335 PolarHBondContact O-N 3.01Å; F335-F338 PolarHBondContact O-N 3.26Å; F335-S339 WeakPolarHBondContact O-CB 3.42Å; F335-S339 PolarHBondContact O-N 3.22Å; F335-L350 HydrophobicContact CE2-CB 4.47Å; F335-L350 HydrophobicContact CE2-CD2 3.88Å; F335-L350 HydrophobicContact CZ-CB 4.29Å; F335-L350 HydrophobicContact CZ-CD2 4.41Å; F335-F353 HydrophobicContact CE2-CD1 4.48Å; F335-E354 HydrophobicContact CE1-CB 4.09Å; F335-E354 HydrophobicContact CE1-CG 3.97Å; F335-E354 WeakPolarHBondContact CE1-OE1 3.3Å; F335-E354 HydrophobicContact CZ-CB 3.76Å; F335-E354 HydrophobicContact CZ-CG 4.17Å; F335-L358 HydrophobicContact CB-CD1 3.76Å; F335-L358 HydrophobicContact CD1-CD1 3.65Å; F335-L358 HydrophobicContact CD2-CD1 3.35Å; F335-L358 HydrophobicContact CE1-CD1 4.06Å; F335-L358 HydrophobicContact CE2-CD1 3.77Å; F335-L358 HydrophobicContact CG-CD1 3.27Å; F335-L358 HydrophobicContact CZ-CD1 4.12Å
336S95.1Very high96Very high64 Ų6455 Ų5545%0.44830%0.295SS..Hα-helixtrans-62.1-46.5-179.3-69.20000112.3E332 K333 S340E332-S336 PolarHBondContact O-N 3.17Å; E332-S336 PolarHBondContact O-OG 3.44Å; K333-S336 PolarHBondContact O-N 3Å; S336-S340 PolarHBondContact O-N 3.32Å; S336-S340 VanDerWaalsContact O-N 3.15Å
337E97.2Very high96.1Very high52 Ų5256 Ų5624%0.24331%0.305CS..Hα-helixtrans-64.2-42.8177.4-74.8-170-14500112.2K333 S340 V466K333-E337 WeakPolarHBondContact CE-OE1 3.45Å; K333-E337 PolarHBondContact O-N 3.34Å; E337-S340 PolarHBondContact O-OG 2.97Å; E337-V466 HydrophobicContact CB-CG2 3.63Å
338F97.6Very high96.1Very high4 Ų457.8 Ų57.82%0.01832%0.317CS..Hα-helixtrans-64.9-48.7177.8168.5-122.7000111.7S316 M319 V320 A334 F335 S340 K341 S342 L346 L350 V466 L469S316-F338 VanDerWaalsContact O-CZ 3.32Å; S316-F338 WeakPolarHBondContact O-CZ 3.03Å; M319-F338 HydrophobicContact CB-CD2 4.34Å; M319-F338 HydrophobicContact CB-CE1 4.25Å; M319-F338 HydrophobicContact CB-CE2 3.75Å; M319-F338 HydrophobicContact CB-CZ 3.71Å; M319-F338 HydrophobicContact CE-CD2 3.56Å; M319-F338 HydrophobicContact CE-CE2 3.7Å; M319-F338 HydrophobicContact CG-CE2 4.45Å; M319-F338 HydrophobicContact SD-CD2 4.39Å; M319-F338 HydrophobicContact SD-CE2 3.9Å; V320-F338 HydrophobicContact CG2-CE1 3.69Å; V320-F338 HydrophobicContact CG2-CZ 4.23Å; A334-F338 WeakPolarHBondContact O-CB 3.43Å; A334-F338 PolarHBondContact O-N 3.33Å; F335-F338 PolarHBondContact O-N 3.26Å; F338-S340 VanDerWaalsContact C-N 3.29Å; F338-S340 PolarHBondContact O-N 3Å; F338-K341 CarbonylContact O-C 3.44Å; F338-K341 PolarHBondContact O-N 3.12Å; F338-S342 WeakPolarHBondContact O-CB 3.37Å; F338-S342 PolarHBondContact O-N 3.31Å; F338-L346 HydrophobicContact CE1-CD2 4.02Å; F338-L346 HydrophobicContact CZ-CD2 3.6Å; F338-L350 HydrophobicContact CD1-CD2 4.27Å; F338-L350 HydrophobicContact CE1-CD2 3.81Å; F338-V466 HydrophobicContact CB-CG2 4.33Å; F338-L469 HydrophobicContact CB-CD1 3.85Å; F338-L469 HydrophobicContact CG-CD1 4.14Å
339S96.5Very high96.2Very high43 Ų4353.8 Ų53.830%0.30130%0.296SS..Hα-helixtrans-56.5-43.8-178.9-178.10000111.2F335 K341 S342F335-S339 WeakPolarHBondContact O-CB 3.42Å; F335-S339 PolarHBondContact O-N 3.22Å; S339-K341 PolarHBondContact O-N 3.42Å; S339-S342 PolarHBondContact O-N 3.25Å; S339-S342 PolarHBondContact O-OG 3.32Å
340S95.6Very high96.4Very high93 Ų9346.9 Ų46.965%0.6526%0.259SS*.Hα-helixtrans-62.2-26.4178.374.30000115S336 E337 F338S336-S340 PolarHBondContact O-N 3.32Å; S336-S340 VanDerWaalsContact O-N 3.15Å; E337-S340 PolarHBondContact O-OG 2.97Å; F338-S340 VanDerWaalsContact C-N 3.29Å; F338-S340 PolarHBondContact O-N 3Å
341K94.8Very high96.4Very high141 Ų14151.2 Ų51.261%0.61328%0.281SS*.Hα-helixtrans-103.9-5-178-64.5171.1-173.4167.30112.5F338 S339 V466F338-K341 CarbonylContact O-C 3.44Å; F338-K341 PolarHBondContact O-N 3.12Å; S339-K341 PolarHBondContact O-N 3.42Å; K341-V466 HydrophobicContact CD-CG2 4.42Å
342S95Very high96.4Very high21 Ų2151.8 Ų51.815%0.14728%0.283CS..SBendtrans-76.9153.8-173.971.50000112F338 S339 K344 L350F338-S342 WeakPolarHBondContact O-CB 3.37Å; F338-S342 PolarHBondContact O-N 3.31Å; S339-S342 PolarHBondContact O-N 3.25Å; S339-S342 PolarHBondContact O-OG 3.32Å; S342-K344 PolarHBondContact O-N 3.03Å; S342-L350 WeakPolarHBondContact OG-CD1 3.31Å
343P95.2Very high96.6Very high41 Ų4146.8 Ų46.827%0.26626%0.259SS..  trans-59.5136.9174.5-22.132.7000111.1S316 A345 L346S316-P343 WeakPolarHBondContact OG-CD 3.42Å; P343-A345 PolarHBondContact O-N 2.99Å; P343-L346 VanDerWaalsContact O-CB 3.27Å; P343-L346 WeakPolarHBondContact O-CB 3.45Å; P343-L346 PolarHBondContact O-N 3.08Å
344K95.4Very high96.6Very high206 Ų20644.3 Ų44.390%0.89625%0.249SC*.G310 helixtrans-52.4-32.1179.4-67.6-172.3179.2-177.60113.6S342 L346 G347S342-K344 PolarHBondContact O-N 3.03Å; K344-L346 PolarHBondContact O-N 2.83Å; K344-G347 PolarHBondContact O-N 3.1Å; K344-G347 VanDerWaalsContact O-N 3.15Å
345A96Very high96.6Very high39 Ų3949.8 Ų49.832%0.32228%0.275SS..G310 helixtrans-62.5-19.4177.200000113.9K306 F313 P343 G347K306-A345 HydrophobicContact CD-CB 4.17Å; F313-A345 HydrophobicContact CD2-CB 4.26Å; F313-A345 HydrophobicContact CE2-CB 4.05Å; P343-A345 PolarHBondContact O-N 2.99Å; A345-G347 VanDerWaalsContact C-N 3.33Å
346L96.9Very high96.5Very high0 Ų051 Ų510%028%0.281CS..G310 helixtrans-80.4-14178.2-163.570.5000112.7F313 V317 V320 F338 P343 K344 I349 L350F313-L346 HydrophobicContact CD2-CD1 4.47Å; F313-L346 HydrophobicContact CE2-CB 4.2Å; F313-L346 HydrophobicContact CE2-CD1 3.84Å; F313-L346 HydrophobicContact CZ-CD1 4.18Å; V317-L346 HydrophobicContact CG2-CD1 3.57Å; V320-L346 HydrophobicContact CG2-CD2 4.07Å; F338-L346 HydrophobicContact CE1-CD2 4.02Å; F338-L346 HydrophobicContact CZ-CD2 3.6Å; P343-L346 VanDerWaalsContact O-CB 3.27Å; P343-L346 WeakPolarHBondContact O-CB 3.45Å; P343-L346 PolarHBondContact O-N 3.08Å; K344-L346 PolarHBondContact O-N 2.83Å; L346-I349 HydrophobicContact CD1-CB 4.14Å; L346-I349 HydrophobicContact CD1-CG1 4.49Å; L346-I349 HydrophobicContact CD1-CG2 4.36Å; L346-I349 HydrophobicContact CG-CB 4.44Å; L346-I349 WeakPolarHBondContact O-CA 3.48Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.94Å; L346-L350 HydrophobicContact CB-CD1 4.37Å; L346-L350 HydrophobicContact CD2-CD1 4.12Å; L346-L350 HydrophobicContact CD2-CD2 3.95Å; L346-L350 HydrophobicContact CD2-CG 3.99Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CD2 4.41Å; L346-L350 HydrophobicContact CG-CG 4Å; L346-L350 PolarHBondContact O-N 2.99Å
347G97.5Very high96.6Very high20 Ų2048 Ų4821%0.20626%0.26CS..Hα-helixtrans-42.1-53-177.300000114.2K344 A345 I349 L350 D351K344-G347 PolarHBondContact O-N 3.1Å; K344-G347 VanDerWaalsContact O-N 3.15Å; A345-G347 VanDerWaalsContact C-N 3.33Å; G347-I349 PolarHBondContact O-N 3.34Å; G347-I349 VanDerWaalsContact O-N 3.1Å; G347-L350 PolarHBondContact O-N 3.14Å; G347-D351 PolarHBondContact O-N 2.81Å
348P97.8Very high96.5Very high52 Ų5245.9 Ų45.934%0.33825%0.251SS..Hα-helixtrans-60.6-25.7-179.8-25.134.7000115.4K301 L303 W352K301-P348 HydrophobicContact CB-CB 4.45Å; K301-P348 HydrophobicContact CD-CB 4.1Å; K301-P348 HydrophobicContact CG-CB 4.12Å; L303-P348 HydrophobicContact CD1-CB 4.39Å; P348-W352 WeakPolarHBondContact O-CB 3.4Å; P348-W352 PolarHBondContact O-N 3.07Å
349I98.1Very high96.3Very high0 Ų045.7 Ų45.70%025%0.25CC..Hα-helixtrans-82.9-38.8175.8-62.1-60.4000110.5M294 K297 L298 K301 L303 V320 L346 G347 W352 F353M294-I349 HydrophobicContact CE-CG2 3.86Å; M294-I349 HydrophobicContact SD-CG2 3.6Å; M294-I349 VanDerWaalsContact SD-CG2 3.6Å; K297-I349 HydrophobicContact CB-CD1 4.23Å; K297-I349 HydrophobicContact CG-CD1 4Å; L298-I349 HydrophobicContact CD2-CD1 3.89Å; L298-I349 HydrophobicContact CD2-CG1 4.04Å; L298-I349 HydrophobicContact CG-CD1 4.35Å; K301-I349 HydrophobicContact CG-CD1 4.47Å; L303-I349 HydrophobicContact CD1-CD1 4.19Å; L303-I349 HydrophobicContact CD1-CG1 3.79Å; V320-I349 HydrophobicContact CG2-CG2 4.33Å; L346-I349 HydrophobicContact CD1-CB 4.14Å; L346-I349 HydrophobicContact CD1-CG1 4.49Å; L346-I349 HydrophobicContact CD1-CG2 4.36Å; L346-I349 HydrophobicContact CG-CB 4.44Å; L346-I349 WeakPolarHBondContact O-CA 3.48Å; L346-I349 WeakPolarHBondContact O-CB 3.42Å; L346-I349 PolarHBondContact O-N 2.94Å; G347-I349 PolarHBondContact O-N 3.34Å; G347-I349 VanDerWaalsContact O-N 3.1Å; I349-W352 HydrophobicContact CG2-CE3 4.24Å; I349-F353 WeakPolarHBondContact O-CB 3.39Å; I349-F353 PolarHBondContact O-N 3.5Å
350L97.8Very high96.1Very high5 Ų546.5 Ų46.53%0.02625%0.25CS..Hα-helixtrans-64.8-45.4175.1-64.4170.1000111.2V320 F335 F338 S342 L346 G347 W352 F353 E354V320-L350 HydrophobicContact CG2-CD2 3.93Å; F335-L350 HydrophobicContact CE2-CB 4.47Å; F335-L350 HydrophobicContact CE2-CD2 3.88Å; F335-L350 HydrophobicContact CZ-CB 4.29Å; F335-L350 HydrophobicContact CZ-CD2 4.41Å; F338-L350 HydrophobicContact CD1-CD2 4.27Å; F338-L350 HydrophobicContact CE1-CD2 3.81Å; S342-L350 WeakPolarHBondContact OG-CD1 3.31Å; L346-L350 HydrophobicContact CB-CD1 4.37Å; L346-L350 HydrophobicContact CD2-CD1 4.12Å; L346-L350 HydrophobicContact CD2-CD2 3.95Å; L346-L350 HydrophobicContact CD2-CG 3.99Å; L346-L350 HydrophobicContact CG-CD1 4.29Å; L346-L350 HydrophobicContact CG-CD2 4.41Å; L346-L350 HydrophobicContact CG-CG 4Å; L346-L350 PolarHBondContact O-N 2.99Å; G347-L350 PolarHBondContact O-N 3.14Å; L350-W352 VanDerWaalsContact C-N 3.32Å; L350-W352 PolarHBondContact O-N 2.74Å; L350-F353 PolarHBondContact O-N 3.26Å; L350-F353 VanDerWaalsContact O-N 3.16Å; L350-E354 WeakPolarHBondContact O-CB 3.17Å; L350-E354 PolarHBondContact O-N 2.84Å
351D96.9Very high95.7Very high101 Ų10145.8 Ų45.854%0.5424%0.243SC..Hα-helixtrans-58.5-46.7177.9-63.4-20.2000110.6G347 F353 E354 E355G347-D351 PolarHBondContact O-N 2.81Å; D351-F353 PolarHBondContact O-N 3.43Å; D351-E354 PolarHBondContact O-N 3.45Å; D351-E355 WeakPolarHBondContact O-CB 3.24Å; D351-E355 PolarHBondContact O-N 2.87Å
352W97.2Very high95.4Very high13 Ų1341.1 Ų41.15%0.04923%0.225CC..Hα-helixtrans-60.3-46.2175.1163.359.8000112.2R293 M294 K297 P348 I349 L350 E354 E355 D356 Y357R293-W352 HydrophobicContact CB-CH2 4.37Å; R293-W352 HydrophobicContact CB-CZ2 4.23Å; M294-W352 HydrophobicContact CB-CH2 4.48Å; M294-W352 HydrophobicContact CE-CZ3 3.77Å; M294-W352 HydrophobicContact SD-CZ3 3.75Å; K297-W352 HydrophobicContact CB-CD2 4.08Å; K297-W352 HydrophobicContact CB-CE3 4.07Å; K297-W352 HydrophobicContact CB-CH2 4.24Å; K297-W352 HydrophobicContact CB-CZ2 4.26Å; K297-W352 HydrophobicContact CB-CZ3 4.15Å; K297-W352 HydrophobicContact CD-CB 4.35Å; K297-W352 HydrophobicContact CD-CD2 3.81Å; K297-W352 HydrophobicContact CD-CG 3.65Å; K297-W352 HydrophobicContact CG-CB 4.23Å; K297-W352 HydrophobicContact CG-CD2 3.5Å; K297-W352 HydrophobicContact CG-CE3 3.78Å; K297-W352 HydrophobicContact CG-CG 3.69Å; K297-W352 HydrophobicContact CG-CZ2 4.48Å; K297-W352 HydrophobicContact CG-CZ3 4.37Å; P348-W352 WeakPolarHBondContact O-CB 3.4Å; P348-W352 PolarHBondContact O-N 3.07Å; I349-W352 HydrophobicContact CG2-CE3 4.24Å; L350-W352 VanDerWaalsContact C-N 3.32Å; L350-W352 PolarHBondContact O-N 2.74Å; W352-E354 VanDerWaalsContact C-N 3.34Å; W352-E355 PolarHBondContact O-N 2.85Å; W352-D356 PolarHBondContact NE1-OD2 2.8Å; W352-D356 WeakPolarHBondContact O-CB 3.37Å; W352-D356 PolarHBondContact O-N 2.94Å; W352-Y357 AromaticContact CE2-CE2 3.94Å; W352-Y357 HydrophobicContact CH2-CE2 4.01Å; W352-Y357 AromaticContact CZ2-CE2 3.6Å; W352-Y357 HydrophobicContact CZ2-CE2 3.6Å
353F97.5Very high94.8Very high0 Ų049 Ų490%026%0.259CS..Hα-helixtrans-67.5-39.3-177.5-165.4-89.2000111.2L290 V320 L323 F335 I349 L350 D351 Y357 L358 W377L290-F353 HydrophobicContact CD1-CE2 4.34Å; V320-F353 HydrophobicContact CG1-CB 3.94Å; V320-F353 HydrophobicContact CG1-CD1 4.04Å; V320-F353 HydrophobicContact CG1-CD2 3.48Å; V320-F353 VanDerWaalsContact CG1-CD2 3.48Å; V320-F353 HydrophobicContact CG1-CE1 4.45Å; V320-F353 HydrophobicContact CG1-CE2 3.94Å; V320-F353 HydrophobicContact CG1-CG 3.53Å; V320-F353 HydrophobicContact CG1-CZ 4.4Å; L323-F353 HydrophobicContact CB-CE1 4.42Å; L323-F353 HydrophobicContact CB-CZ 4.48Å; L323-F353 HydrophobicContact CD1-CD1 4.06Å; L323-F353 HydrophobicContact CD1-CE1 3.61Å; L323-F353 HydrophobicContact CD1-CZ 4.27Å; F335-F353 HydrophobicContact CE2-CD1 4.48Å; I349-F353 WeakPolarHBondContact O-CB 3.39Å; I349-F353 PolarHBondContact O-N 3.5Å; L350-F353 PolarHBondContact O-N 3.26Å; L350-F353 VanDerWaalsContact O-N 3.16Å; D351-F353 PolarHBondContact O-N 3.43Å; F353-Y357 AromaticContact CD2-CD2 3.66Å; F353-Y357 HydrophobicContact CD2-CD2 3.66Å; F353-Y357 HydrophobicContact CD2-CE2 4.13Å; F353-Y357 HydrophobicContact CD2-CG 4.26Å; F353-Y357 AromaticContact CE2-CD2 3.91Å; F353-Y357 HydrophobicContact CE2-CD2 3.91Å; F353-Y357 HydrophobicContact CE2-CE2 4.39Å; F353-Y357 HydrophobicContact CE2-CG 4.07Å; F353-Y357 HydrophobicContact CG-CD2 4.07Å; F353-Y357 HydrophobicContact CZ-CD2 4.48Å; F353-Y357 HydrophobicContact CZ-CG 4.27Å; F353-Y357 WeakPolarHBondContact O-CA 3.48Å; F353-Y357 WeakPolarHBondContact O-CB 3.46Å; F353-Y357 PolarHBondContact O-N 2.8Å; F353-L358 HydrophobicContact CD1-CD1 4.11Å; F353-L358 HydrophobicContact CD1-CG 4.18Å; F353-L358 HydrophobicContact CE1-CD1 4.33Å; F353-L358 HydrophobicContact CE1-CD2 4.43Å; F353-L358 HydrophobicContact CE1-CG 4.17Å; F353-L358 PolarHBondContact O-N 3.15Å; F353-W377 AromaticContact CE1-CH2 3.97Å; F353-W377 HydrophobicContact CE1-CH2 3.97Å; F353-W377 HydrophobicContact CE1-CZ2 4.13Å; F353-W377 AromaticContact CZ-CH2 3.82Å; F353-W377 HydrophobicContact CZ-CH2 3.82Å; F353-W377 HydrophobicContact CZ-CZ2 4.06Å; F353-W377 HydrophobicContact CZ-CZ3 4.08Å
354E96.5Very high94.3Very high33 Ų3356 Ų5615%0.15429%0.286CS..Iπ-helixtrans-64.9-42176.4-166.2169.5-145.600111.4F335 L350 D351 W352 L358 G359 L360 R367F335-E354 HydrophobicContact CE1-CB 4.09Å; F335-E354 HydrophobicContact CE1-CG 3.97Å; F335-E354 WeakPolarHBondContact CE1-OE1 3.3Å; F335-E354 HydrophobicContact CZ-CB 3.76Å; F335-E354 HydrophobicContact CZ-CG 4.17Å; L350-E354 WeakPolarHBondContact O-CB 3.17Å; L350-E354 PolarHBondContact O-N 2.84Å; D351-E354 PolarHBondContact O-N 3.45Å; W352-E354 VanDerWaalsContact C-N 3.34Å; E354-L358 HydrophobicContact CG-CB 4.32Å; E354-L358 CarbonylContact O-C 3.59Å; E354-L358 PolarHBondContact O-N 2.88Å; E354-G359 CarbonylContact O-C 3.59Å; E354-G359 WeakPolarHBondContact O-CA 3.39Å; E354-G359 PolarHBondContact O-N 2.61Å; E354-L360 HydrophobicContact CB-CD2 4.49Å; E354-L360 HydrophobicContact CG-CD2 4.2Å; E354-R367 IonicContact OE1-CZ 3.76Å; E354-R367 IonicContact OE1-NH1 3.32Å; E354-R367 PolarHBondContact OE1-NH1 2.83Å; E354-R367 IonicContact OE1-NH2 2.87Å; E354-R367 PolarHBondContact OE1-NH2 3.1Å
355E96.1Very high93.5Very high115 Ų11549.8 Ų49.854%0.53728%0.28SS..Iπ-helixtrans-66.2-50.2177.8-173174.7-164.700112.7D351 W352 L360D351-E355 WeakPolarHBondContact O-CB 3.24Å; D351-E355 PolarHBondContact O-N 2.87Å; W352-E355 PolarHBondContact O-N 2.85Å; E355-L360 HydrophobicContact CB-CG 4.47Å; E355-L360 HydrophobicContact CG-CD1 4.43Å
356D95.6Very high93.1Very high28 Ų2851 Ų5115%0.1529%0.286CS..Iπ-helixtrans-81-28.3-172.1-86.29.8000113.6R293 W352 P370 F372R293-D356 IonicContact NH2-OD2 2.64Å; R293-D356 PolarHBondContact NH2-OD2 2.8Å; R293-D356 VanDerWaalsContact NH2-OD2 3.1Å; W352-D356 PolarHBondContact NE1-OD2 2.8Å; W352-D356 WeakPolarHBondContact O-CB 3.37Å; W352-D356 PolarHBondContact O-N 2.94Å; D356-P370 WeakPolarHBondContact O-CB 3.31Å; D356-F372 HydrophobicContact CB-CD2 4.47Å; D356-F372 WeakPolarHBondContact O-CB 3.45Å; D356-F372 PolarHBondContact O-N 2.87Å
357Y96.5Very high92.7Very high0 Ų053.2 Ų53.20%030%0.295CS..Iπ-helixtrans-127-23.7-165.6-58.9-86.2000116.2F266 L290 R293 W352 F353 F372 P374 W377F266-Y357 AromaticContact CD1-CE1 3.88Å; F266-Y357 HydrophobicContact CD1-CE1 3.88Å; F266-Y357 HydrophobicContact CE1-CD1 4.45Å; F266-Y357 AromaticContact CE1-CE1 3.85Å; F266-Y357 HydrophobicContact CE1-CE1 3.85Å; F266-Y357 HydrophobicContact CG-CE1 4.32Å; F266-Y357 HydrophobicContact CZ-CE1 4.28Å; L290-Y357 HydrophobicContact CD1-CD1 4.16Å; L290-Y357 HydrophobicContact CD1-CE1 3.46Å; L290-Y357 VanDerWaalsContact CD1-CE1 3.46Å; L290-Y357 HydrophobicContact CD1-CE2 4.23Å; L290-Y357 VanDerWaalsContact CD1-CZ 3.49Å; R293-Y357 WeakPolarHBondContact CD-OH 3.04Å; R293-Y357 PolarHBondContact NE-OH 2.81Å; W352-Y357 AromaticContact CE2-CE2 3.94Å; W352-Y357 HydrophobicContact CH2-CE2 4.01Å; W352-Y357 AromaticContact CZ2-CE2 3.6Å; W352-Y357 HydrophobicContact CZ2-CE2 3.6Å; F353-Y357 AromaticContact CD2-CD2 3.66Å; F353-Y357 HydrophobicContact CD2-CD2 3.66Å; F353-Y357 HydrophobicContact CD2-CE2 4.13Å; F353-Y357 HydrophobicContact CD2-CG 4.26Å; F353-Y357 AromaticContact CE2-CD2 3.91Å; F353-Y357 HydrophobicContact CE2-CD2 3.91Å; F353-Y357 HydrophobicContact CE2-CE2 4.39Å; F353-Y357 HydrophobicContact CE2-CG 4.07Å; F353-Y357 HydrophobicContact CG-CD2 4.07Å; F353-Y357 HydrophobicContact CZ-CD2 4.48Å; F353-Y357 HydrophobicContact CZ-CG 4.27Å; F353-Y357 WeakPolarHBondContact O-CA 3.48Å; F353-Y357 WeakPolarHBondContact O-CB 3.46Å; F353-Y357 PolarHBondContact O-N 2.8Å; Y357-F372 VanDerWaalsContact CA-O 3.31Å; Y357-F372 WeakPolarHBondContact CA-O 3.12Å; Y357-F372 HydrophobicContact CD1-CB 3.75Å; Y357-F372 HydrophobicContact CD1-CD2 4.47Å; Y357-F372 HydrophobicContact CE1-CB 3.96Å; Y357-F372 HydrophobicContact CE1-CD2 4.06Å; Y357-F372 HydrophobicContact CE1-CG 4.31Å; Y357-P374 VanDerWaalsContact O-CD 3.3Å; Y357-P374 WeakPolarHBondContact O-CD 3.42Å; Y357-W377 AromaticContact CD1-CD1 3.69Å; Y357-W377 HydrophobicContact CD1-CG 4.22Å; Y357-W377 AromaticContact CD1-NE1 3.68Å; Y357-W377 PolarHBondContact O-NE1 3.24Å
358L95.2Very high92.5Very high9 Ų959.4 Ų59.45%0.04731%0.312CS..Iπ-helixtrans-110.9-31.8-179.5-61176.5000113.2I331 F335 F353 E354 P374 W377I331-L358 HydrophobicContact CG2-CD2 3.32Å; F335-L358 HydrophobicContact CB-CD1 3.76Å; F335-L358 HydrophobicContact CD1-CD1 3.65Å; F335-L358 HydrophobicContact CD2-CD1 3.35Å; F335-L358 HydrophobicContact CE1-CD1 4.06Å; F335-L358 HydrophobicContact CE2-CD1 3.77Å; F335-L358 HydrophobicContact CG-CD1 3.27Å; F335-L358 HydrophobicContact CZ-CD1 4.12Å; F353-L358 HydrophobicContact CD1-CD1 4.11Å; F353-L358 HydrophobicContact CD1-CG 4.18Å; F353-L358 HydrophobicContact CE1-CD1 4.33Å; F353-L358 HydrophobicContact CE1-CD2 4.43Å; F353-L358 HydrophobicContact CE1-CG 4.17Å; F353-L358 PolarHBondContact O-N 3.15Å; E354-L358 HydrophobicContact CG-CB 4.32Å; E354-L358 CarbonylContact O-C 3.59Å; E354-L358 PolarHBondContact O-N 2.88Å; L358-P374 HydrophobicContact CD2-CG 4.25Å; L358-W377 HydrophobicContact CD2-CH2 4.32Å; L358-W377 HydrophobicContact CD2-CZ2 3.97Å
359G94Very high92.2Very high0 Ų063.9 Ų63.90%033%0.331CS..  trans88.5130.5-171.800000111.9E354 R367 R368E354-G359 CarbonylContact O-C 3.59Å; E354-G359 WeakPolarHBondContact O-CA 3.39Å; E354-G359 PolarHBondContact O-N 2.61Å; G359-R367 WeakPolarHBondContact O-CD 3.15Å; G359-R367 PolarHBondContact O-NH1 3.36Å; G359-R368 VanDerWaalsContact CA-O 3.3Å; G359-R368 WeakPolarHBondContact CA-O 3.42Å
360L92.2Very high92Very high60 Ų6064.4 Ų64.431%0.31434%0.335SS..PPolyproline II helixtrans-64143.2176-65173.4000111.1E354 E355 R368E354-L360 HydrophobicContact CB-CD2 4.49Å; E354-L360 HydrophobicContact CG-CD2 4.2Å; E355-L360 HydrophobicContact CB-CG 4.47Å; E355-L360 HydrophobicContact CG-CD1 4.43Å; L360-R368 PolarHBondContact O-N 3.19Å
361P88.3Confident91.8Very high77 Ų7767 Ų6750%0.535%0.352SS..BIsolated β-bridgetrans-55.9140.2171-2231.9000111.3
362N87.2Confident91.6Very high43 Ų4362.5 Ų62.523%0.2333%0.328CS..PPolyproline II helixtrans-99.6168.7169.670.131.5000110.8F364 G365 S366N362-F364 PolarHBondContact O-N 3.14Å; N362-F364 WeakPolarHBondContact OD1-CA 3.46Å; N362-F364 WeakPolarHBondContact OD1-CB 3.42Å; N362-F364 PolarHBondContact OD1-N 3.08Å; N362-G365 PolarHBondContact O-N 3.34Å; N362-G365 PolarHBondContact OD1-N 3.1Å; N362-S366 PolarHBondContact N-O 3.13Å; N362-S366 PolarHBondContact ND2-O 3.15Å; N362-S366 PolarHBondContact ND2-OG 3.23Å; N362-S366 PolarHBondContact OD1-N 2.64Å; N362-S366 PolarHBondContact OD1-O 2.85Å; N362-S366 PolarHBondContact OD1-OG 2.59Å; N362-S366 VanDerWaalsContact OD1-OG 3.13Å
363H83.6Confident91.5Very high187 Ų18762.3 Ų62.387%0.86633%0.328SS*.THydrogen-bonded Turntrans-62.8-13.1-179.4-62.8-62.6000114.2
364F83.9Confident91.4Very high187 Ų18763.7 Ų63.782%0.8234%0.337SS*.THydrogen-bonded Turntrans-99.19-178.6-56.1-75.4000113N362 S366N362-F364 PolarHBondContact O-N 3.14Å; N362-F364 WeakPolarHBondContact OD1-CA 3.46Å; N362-F364 WeakPolarHBondContact OD1-CB 3.42Å; N362-F364 PolarHBondContact OD1-N 3.08Å; F364-S366 PolarHBondContact O-N 3Å
365G79.1Confident91.2Very high76 Ų7670 Ų7078%0.78436%0.36SS*.SBendtrans77.24.9179.300000114.8N362N362-G365 PolarHBondContact O-N 3.34Å; N362-G365 PolarHBondContact OD1-N 3.1Å
366S86Confident91.1Very high64 Ų6465.8 Ų65.845%0.44834%0.34SS..PPolyproline II helixtrans-98.8168.9168.942.60000110.7N362 F364N362-S366 PolarHBondContact N-O 3.13Å; N362-S366 PolarHBondContact ND2-O 3.15Å; N362-S366 PolarHBondContact ND2-OG 3.23Å; N362-S366 PolarHBondContact OD1-N 2.64Å; N362-S366 PolarHBondContact OD1-O 2.85Å; N362-S366 PolarHBondContact OD1-OG 2.59Å; N362-S366 VanDerWaalsContact OD1-OG 3.13Å; F364-S366 PolarHBondContact O-N 3Å
367R89.8Confident90.9Very high47 Ų4764.5 Ų64.518%0.17733%0.333CS..BIsolated β-bridgetrans-98147.9175.7-68.1-177.1176.8-90.90111.4E332 E354 G359E332-R367 VanDerWaalsContact CD-CD 3.44Å; E332-R367 VanDerWaalsContact CD-NE 3.27Å; E332-R367 IonicContact OE1-NE 2.7Å; E332-R367 WeakPolarHBondContact OE2-CD 3.47Å; E332-R367 IonicContact OE2-CZ 3.81Å; E332-R367 IonicContact OE2-NE 3.01Å; E332-R367 PolarHBondContact OE2-NE 2.73Å; E354-R367 IonicContact OE1-CZ 3.76Å; E354-R367 IonicContact OE1-NH1 3.32Å; E354-R367 PolarHBondContact OE1-NH1 2.83Å; E354-R367 IonicContact OE1-NH2 2.87Å; E354-R367 PolarHBondContact OE1-NH2 3.1Å; G359-R367 WeakPolarHBondContact O-CD 3.15Å; G359-R367 PolarHBondContact O-NH1 3.36Å
368R93Very high90.8Very high150 Ų15065.6 Ų65.657%0.56634%0.341SS*.PPolyproline II helixtrans-65156166.7-64.3-180-175.3-178.81.7109.4G359 L360 P370G359-R368 VanDerWaalsContact CA-O 3.3Å; G359-R368 WeakPolarHBondContact CA-O 3.42Å; L360-R368 PolarHBondContact O-N 3.19Å; R368-P370 VanDerWaalsContact O-CD 3.24Å; R368-P370 WeakPolarHBondContact O-CD 3.3Å
369I91.8Very high90.7Very high146 Ų14665.6 Ų65.675%0.74934%0.341SS*.PPolyproline II helixtrans-75.8116.2171.2-61.2172000107.4
370P94.1Very high90.7Very high11 Ų1167.2 Ų67.27%0.07135%0.348CS..PPolyproline II helixtrans-71.4164175.831.7-36.8000111D356 R368 F372 P373D356-P370 WeakPolarHBondContact O-CB 3.31Å; R368-P370 VanDerWaalsContact O-CD 3.24Å; R368-P370 WeakPolarHBondContact O-CD 3.3Å; P370-F372 PolarHBondContact O-N 2.93Å; P370-P373 HydrophobicContact CG-CB 4.05Å; P370-P373 WeakPolarHBondContact O-CD 3.23Å
371P92.3Very high90.6Very high59 Ų5969 Ų6938%0.38336%0.357SS..SBendtrans-53-42.5170-24.733.8000112.4Q268 P373Q268-P371 VanDerWaalsContact OE1-CB 3.29Å; Q268-P371 PolarHBondContact OE1-O 2.94Å; P371-P373 WeakPolarHBondContact O-CD 3.47Å
372F94.4Very high90.6Very high8 Ų868.5 Ų68.54%0.03535%0.347CS..SBendtrans-120.976.9-177.3-49.7-65.4000112.1F266 Q268 M271 D356 Y357 P370 W377F266-F372 HydrophobicContact CB-CD1 4.2Å; F266-F372 HydrophobicContact CB-CD2 4.33Å; F266-F372 HydrophobicContact CB-CE1 3.91Å; F266-F372 HydrophobicContact CB-CE2 4.07Å; F266-F372 HydrophobicContact CB-CG 4.4Å; F266-F372 HydrophobicContact CB-CZ 3.85Å; F266-F372 HydrophobicContact CD1-CB 3.93Å; F266-F372 AromaticContact CD1-CD1 3.72Å; F266-F372 HydrophobicContact CD1-CD1 3.72Å; F266-F372 HydrophobicContact CD1-CD2 4.19Å; F266-F372 HydrophobicContact CD1-CE1 4.29Å; F266-F372 AromaticContact CD1-CG 3.66Å; F266-F372 HydrophobicContact CD1-CG 3.66Å; F266-F372 HydrophobicContact CE1-CB 4.26Å; F266-F372 HydrophobicContact CE1-CG 4.47Å; F266-F372 HydrophobicContact CG-CD1 4.48Å; F266-F372 HydrophobicContact CG-CG 4.48Å; F266-F372 WeakPolarHBondContact O-CZ 3.48Å; Q268-F372 HydrophobicContact CB-CE1 4.31Å; Q268-F372 HydrophobicContact CB-CZ 4.3Å; M271-F372 HydrophobicContact SD-CD1 3.82Å; M271-F372 HydrophobicContact SD-CE1 3.89Å; D356-F372 HydrophobicContact CB-CD2 4.47Å; D356-F372 WeakPolarHBondContact O-CB 3.45Å; D356-F372 PolarHBondContact O-N 2.87Å; Y357-F372 VanDerWaalsContact CA-O 3.31Å; Y357-F372 WeakPolarHBondContact CA-O 3.12Å; Y357-F372 HydrophobicContact CD1-CB 3.75Å; Y357-F372 HydrophobicContact CD1-CD2 4.47Å; Y357-F372 HydrophobicContact CE1-CB 3.96Å; Y357-F372 HydrophobicContact CE1-CD2 4.06Å; Y357-F372 HydrophobicContact CE1-CG 4.31Å; P370-F372 PolarHBondContact O-N 2.93Å; F372-W377 PolarHBondContact O-NE1 3.3Å
373P94.3Very high90.8Very high9 Ų966.5 Ų66.56%0.05834%0.337CS..  trans-61.5155.9-176.222.9-33.4000113.4P370 P371 R375 L376 W377P370-P373 HydrophobicContact CG-CB 4.05Å; P370-P373 WeakPolarHBondContact O-CD 3.23Å; P371-P373 WeakPolarHBondContact O-CD 3.47Å; P373-R375 HydrophobicContact CB-CG 4.4Å; P373-R375 HydrophobicContact CG-CG 4.25Å; P373-R375 VanDerWaalsContact CG-CZ 3.43Å; P373-R375 PolarHBondContact O-N 3.4Å; P373-L376 HydrophobicContact CG-CD1 4Å; P373-L376 HydrophobicContact CG-CG 4.06Å; P373-L376 WeakPolarHBondContact O-CB 3.33Å; P373-L376 PolarHBondContact O-N 3.1Å; P373-W377 VanDerWaalsContact O-CD1 3.32Å
374P95.3Very high91.1Very high29 Ų2960.7 Ų60.719%0.18831%0.312CS..G310 helixtrans-48.9-37.3-174-32.138.5000116L328 I331 Y357 L358 L376 W377 S378L328-P374 HydrophobicContact CD2-CB 3.72Å; I331-P374 HydrophobicContact CD1-CB 3.79Å; Y357-P374 VanDerWaalsContact O-CD 3.3Å; Y357-P374 WeakPolarHBondContact O-CD 3.42Å; L358-P374 HydrophobicContact CD2-CG 4.25Å; P374-L376 PolarHBondContact O-N 2.93Å; P374-W377 VanDerWaalsContact CA-NE1 3.34Å; P374-W377 HydrophobicContact CB-CZ2 3.97Å; P374-W377 HydrophobicContact CG-CZ2 3.92Å; P374-W377 PolarHBondContact O-N 2.96Å; P374-W377 VanDerWaalsContact O-N 3.1Å; P374-S378 WeakPolarHBondContact O-CB 3.49Å; P374-S378 PolarHBondContact O-N 3.41Å
375R93Very high91.2Very high166 Ų16659 Ų5963%0.62631%0.308SS*.G310 helixtrans-56.1-22.8175.267.9177.8-177.1-91-1.2114.6P373P373-R375 HydrophobicContact CB-CG 4.4Å; P373-R375 HydrophobicContact CG-CG 4.25Å; P373-R375 VanDerWaalsContact CG-CZ 3.43Å; P373-R375 PolarHBondContact O-N 3.4Å
376L92.4Very high91.3Very high25 Ų2556.9 Ų56.913%0.13129%0.286CS..G310 helixtrans-85.7-24.4-179.5-60.5-175.5000112.7M271 A283 V284 G285 P373 P374M271-L376 HydrophobicContact CE-CB 4.22Å; M271-L376 HydrophobicContact CE-CD1 3.74Å; M271-L376 HydrophobicContact CE-CD2 4.24Å; M271-L376 HydrophobicContact CE-CG 4.29Å; M271-L376 HydrophobicContact SD-CD1 4.38Å; A283-L376 WeakPolarHBondContact O-CD2 3.32Å; V284-L376 CarbonylContact C-O 3.6Å; G285-L376 PolarHBondContact N-O 3.34Å; P373-L376 HydrophobicContact CG-CD1 4Å; P373-L376 HydrophobicContact CG-CG 4.06Å; P373-L376 WeakPolarHBondContact O-CB 3.33Å; P373-L376 PolarHBondContact O-N 3.1Å; P374-L376 PolarHBondContact O-N 2.93Å
377W93.2Very high91Very high2 Ų258.5 Ų58.51%0.00829%0.287CS..THydrogen-bonded Turntrans-127.9-12-171.655.6-96.8000115F266 L290 L323 A324 I331 F353 Y357 L358 F372 P373 P374 V379F266-W377 HydrophobicContact CE1-CB 3.75Å; F266-W377 HydrophobicContact CE1-CG 4.44Å; F266-W377 HydrophobicContact CZ-CB 3.64Å; L290-W377 HydrophobicContact CD2-CE3 4.39Å; L323-W377 HydrophobicContact CB-CH2 4.11Å; L323-W377 HydrophobicContact CB-CZ3 4.13Å; A324-W377 VanDerWaalsContact CA-CZ3 3.48Å; A324-W377 HydrophobicContact CB-CE3 3.88Å; A324-W377 HydrophobicContact CB-CZ3 4.06Å; I331-W377 HydrophobicContact CD1-CH2 4.07Å; I331-W377 HydrophobicContact CD1-CZ3 4.5Å; I331-W377 HydrophobicContact CG2-CH2 4.28Å; F353-W377 AromaticContact CE1-CH2 3.97Å; F353-W377 HydrophobicContact CE1-CH2 3.97Å; F353-W377 HydrophobicContact CE1-CZ2 4.13Å; F353-W377 AromaticContact CZ-CH2 3.82Å; F353-W377 HydrophobicContact CZ-CH2 3.82Å; F353-W377 HydrophobicContact CZ-CZ2 4.06Å; F353-W377 HydrophobicContact CZ-CZ3 4.08Å; Y357-W377 AromaticContact CD1-CD1 3.69Å; Y357-W377 HydrophobicContact CD1-CG 4.22Å; Y357-W377 AromaticContact CD1-NE1 3.68Å; Y357-W377 PolarHBondContact O-NE1 3.24Å; L358-W377 HydrophobicContact CD2-CH2 4.32Å; L358-W377 HydrophobicContact CD2-CZ2 3.97Å; F372-W377 PolarHBondContact O-NE1 3.3Å; P373-W377 VanDerWaalsContact O-CD1 3.32Å; P374-W377 VanDerWaalsContact CA-NE1 3.34Å; P374-W377 HydrophobicContact CB-CZ2 3.97Å; P374-W377 HydrophobicContact CG-CZ2 3.92Å; P374-W377 PolarHBondContact O-N 2.96Å; P374-W377 VanDerWaalsContact O-N 3.1Å; W377-V379 PolarHBondContact O-N 3.31Å
378S94Very high90.1Very high22 Ų2263 Ų6315%0.15431%0.305CS..  trans-61.9135.7171-178.10000109.9A324 P374 Y380A324-S378 PolarHBondContact O-OG 3.14Å; P374-S378 WeakPolarHBondContact O-CB 3.49Å; P374-S378 PolarHBondContact O-N 3.41Å; S378-Y380 PolarHBondContact OG-N 3.19Å
379V92.8Very high89Confident10 Ų1056.8 Ų56.86%0.06128%0.283CS..  trans-113.96.9175.5-63.50000111.1F287 A324 F325 W377 D381 K382 M383 L389F287-V379 HydrophobicContact CB-CG1 4.3Å; A324-V379 HydrophobicContact CB-CG2 4.06Å; A324-V379 VanDerWaalsContact O-CG2 3.25Å; A324-V379 WeakPolarHBondContact O-CG2 3.5Å; A324-V379 PolarHBondContact O-N 2.75Å; F325-V379 HydrophobicContact CD1-CG2 3.54Å; F325-V379 HydrophobicContact CE1-CG2 3.46Å; F325-V379 VanDerWaalsContact CE1-CG2 3.46Å; F325-V379 HydrophobicContact CE2-CG2 4.47Å; F325-V379 HydrophobicContact CG-CG2 4.09Å; F325-V379 HydrophobicContact CZ-CG2 3.96Å; W377-V379 PolarHBondContact O-N 3.31Å; V379-D381 PolarHBondContact O-N 3.24Å; V379-K382 PolarHBondContact O-N 3.2Å; V379-M383 HydrophobicContact CB-CE 4.31Å; V379-M383 HydrophobicContact CG2-CG 4.44Å; V379-M383 WeakPolarHBondContact O-CG 3.3Å; V379-M383 PolarHBondContact O-N 3.08Å; V379-L389 HydrophobicContact CB-CD1 4.08Å; V379-L389 HydrophobicContact CG1-CD1 4Å; V379-L389 HydrophobicContact CG2-CD1 3.75Å
380Y93.9Very high87.6Confident34 Ų3451.3 Ų51.313%0.13326%0.256CS..Hα-helixtrans-54.4-55.8-177.4-178.2-101.5000112.1A324 F325 P327 S378 K382 M383 L384 V457 F460A324-Y380 PolarHBondContact O-N 2.6Å; F325-Y380 WeakPolarHBondContact O-CD2 3.29Å; P327-Y380 HydrophobicContact CB-CD1 4.26Å; P327-Y380 HydrophobicContact CB-CE1 4.12Å; P327-Y380 HydrophobicContact CG-CD1 4.16Å; P327-Y380 HydrophobicContact CG-CD2 4.1Å; P327-Y380 HydrophobicContact CG-CE1 3.73Å; P327-Y380 HydrophobicContact CG-CE2 3.67Å; P327-Y380 HydrophobicContact CG-CG 4.34Å; S378-Y380 PolarHBondContact OG-N 3.19Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3.36Å; Y380-M383 PolarHBondContact O-N 3.22Å; Y380-M383 VanDerWaalsContact O-N 3.16Å; Y380-L384 HydrophobicContact CD1-CD1 3.84Å; Y380-L384 HydrophobicContact CD1-CG 4.47Å; Y380-L384 HydrophobicContact CE1-CD1 3.21Å; Y380-L384 HydrophobicContact CE1-CG 4.02Å; Y380-L384 PolarHBondContact O-N 2.98Å; Y380-V457 HydrophobicContact CD2-CG1 3.66Å; Y380-V457 HydrophobicContact CD2-CG2 4.49Å; Y380-V457 HydrophobicContact CE2-CB 4.38Å; Y380-V457 HydrophobicContact CE2-CG1 3.49Å; Y380-V457 VanDerWaalsContact CE2-CG1 3.49Å; Y380-V457 HydrophobicContact CG-CG1 4.46Å; Y380-V457 PolarHBondContact OH-O 3.21Å; Y380-F460 HydrophobicContact CE2-CB 4.25Å
381D91Very high86.4Confident96 Ų9653.4 Ų53.451%0.51327%0.267SS..Hα-helixtrans-63.9-38.8-179-64.4-29.1000111.8V379 M383 L384 M385V379-D381 PolarHBondContact O-N 3.24Å; D381-M383 VanDerWaalsContact C-N 3.35Å; D381-M383 PolarHBondContact O-N 3.14Å; D381-L384 WeakPolarHBondContact O-CB 3.37Å; D381-L384 PolarHBondContact O-N 2.82Å; D381-M385 WeakPolarHBondContact O-CB 3.37Å; D381-M385 VanDerWaalsContact O-CG 3.26Å; D381-M385 WeakPolarHBondContact O-CG 3.06Å; D381-M385 PolarHBondContact O-N 3.16Å
382K87.6Confident85.3Confident67 Ų6752.1 Ų52.129%0.29126%0.255SS..Hα-helixtrans-59.1-46.3174.5-70.4-172.3171.7-177.60111.5V379 Y380 M385 G386 E387V379-K382 PolarHBondContact O-N 3.2Å; Y380-K382 VanDerWaalsContact C-N 3.32Å; Y380-K382 PolarHBondContact O-N 3.36Å; K382-M385 PolarHBondContact O-N 3.36Å; K382-G386 PolarHBondContact O-N 3.2Å; K382-E387 HydrophobicContact CB-CB 4.14Å; K382-E387 WeakPolarHBondContact O-CB 3.03Å; K382-E387 PolarHBondContact O-N 2.85Å
383M90.5Very high84.2Confident1 Ų153.6 Ų53.61%0.00526%0.263CS..Hα-helixtrans-65.5-38.7177.6-69.1-50.3106.600111.6F325 V379 Y380 D381 M385 G386 L389 I453 Q454 V457F325-M383 HydrophobicContact CD1-CG 3.89Å; F325-M383 HydrophobicContact CE1-CG 4.03Å; F325-M383 HydrophobicContact CE1-SD 4.42Å; V379-M383 HydrophobicContact CB-CE 4.31Å; V379-M383 HydrophobicContact CG2-CG 4.44Å; V379-M383 WeakPolarHBondContact O-CG 3.3Å; V379-M383 PolarHBondContact O-N 3.08Å; Y380-M383 PolarHBondContact O-N 3.22Å; Y380-M383 VanDerWaalsContact O-N 3.16Å; D381-M383 VanDerWaalsContact C-N 3.35Å; D381-M383 PolarHBondContact O-N 3.14Å; M383-M385 VanDerWaalsContact C-N 3.34Å; M383-M385 PolarHBondContact O-N 2.92Å; M383-G386 PolarHBondContact O-N 3.14Å; M383-G386 VanDerWaalsContact O-N 3.17Å; M383-L389 HydrophobicContact CE-CB 3.63Å; M383-L389 HydrophobicContact CE-CD1 3.96Å; M383-L389 HydrophobicContact CE-CG 4.44Å; M383-L389 HydrophobicContact SD-CB 4.04Å; M383-I453 HydrophobicContact CG-CG2 3.96Å; M383-I453 HydrophobicContact SD-CG2 3.89Å; M383-Q454 HydrophobicContact CB-CG 4.47Å; M383-Q454 WeakPolarHBondContact O-CG 3.47Å; M383-Q454 HydrophobicContact SD-CG 4.39Å; M383-V457 HydrophobicContact CB-CB 4.23Å; M383-V457 HydrophobicContact CB-CG1 3.98Å; M383-V457 HydrophobicContact CB-CG2 3.85Å; M383-V457 HydrophobicContact CG-CG2 4.23Å
384L90Very high83.5Confident65 Ų6553.8 Ų53.834%0.3426%0.264SS..Hα-helixtrans-61.2-42.5174.7-82.5178.6000112.3Y380 D381 G386 V457 K458Y380-L384 HydrophobicContact CD1-CD1 3.84Å; Y380-L384 HydrophobicContact CD1-CG 4.47Å; Y380-L384 HydrophobicContact CE1-CD1 3.21Å; Y380-L384 HydrophobicContact CE1-CG 4.02Å; Y380-L384 PolarHBondContact O-N 2.98Å; D381-L384 WeakPolarHBondContact O-CB 3.37Å; D381-L384 PolarHBondContact O-N 2.82Å; L384-G386 PolarHBondContact O-N 3.26Å; L384-V457 HydrophobicContact CD2-CG1 3.81Å; L384-V457 HydrophobicContact CG-CG1 3.7Å; L384-K458 HydrophobicContact CD2-CG 3.84Å
385M86.9Confident82.6Confident153 Ų15353.4 Ų53.475%0.75426%0.261SS*.THydrogen-bonded Turntrans-72.3-1.5178.5-66.6-63.4-76.200113.5D381 K382 M383 E387D381-M385 WeakPolarHBondContact O-CB 3.37Å; D381-M385 VanDerWaalsContact O-CG 3.26Å; D381-M385 WeakPolarHBondContact O-CG 3.06Å; D381-M385 PolarHBondContact O-N 3.16Å; K382-M385 PolarHBondContact O-N 3.36Å; M383-M385 VanDerWaalsContact C-N 3.34Å; M383-M385 PolarHBondContact O-N 2.92Å; M385-E387 VanDerWaalsContact C-N 3.28Å; M385-E387 HydrophobicContact CB-CG 4.44Å; M385-E387 PolarHBondContact O-N 2.9Å
386G81.7Confident82Confident31 Ų3147.7 Ų47.732%0.3225%0.249SC..THydrogen-bonded Turntrans78.312.3179.700000113.6K382 M383 L384 Q454K382-G386 PolarHBondContact O-N 3.2Å; M383-G386 PolarHBondContact O-N 3.14Å; M383-G386 VanDerWaalsContact O-N 3.17Å; L384-G386 PolarHBondContact O-N 3.26Å; G386-Q454 VanDerWaalsContact C-NE2 3.34Å; G386-Q454 PolarHBondContact O-NE2 3.28Å
387E78.7Confident81.5Confident97 Ų9746.6 Ų46.645%0.45324%0.243SC..  trans-68.8156.3172.2-62.6179.8-150.400110.7K382 M385 Q454K382-E387 HydrophobicContact CB-CB 4.14Å; K382-E387 WeakPolarHBondContact O-CB 3.03Å; K382-E387 PolarHBondContact O-N 2.85Å; M385-E387 VanDerWaalsContact C-N 3.28Å; M385-E387 HydrophobicContact CB-CG 4.44Å; M385-E387 PolarHBondContact O-N 2.9Å; E387-Q454 PolarHBondContact O-NE2 3.25Å
388Y71.6Confident80.9Confident143 Ų14346.7 Ų46.756%0.56124%0.244SC*.  trans-89134.5-178.4-57.8-52.8000111.3T390 D450Y388-T390 VanDerWaalsContact C-N 3.27Å; Y388-T390 PolarHBondContact O-N 2.86Å; Y388-D450 HydrophobicContact CD1-CB 4.47Å; Y388-D450 WeakPolarHBondContact CD1-OD2 3.16Å
389L69.1Low80.3Confident19 Ų1952.5 Ų52.510%0.09926%0.263CS..SBendtrans-62.7-40.2-179.7179.667.1000111.5F287 F325 V379 M383 I453F287-L389 HydrophobicContact CB-CD1 3.77Å; F287-L389 HydrophobicContact CB-CG 4.43Å; F287-L389 HydrophobicContact CD1-CD1 3.75Å; F287-L389 HydrophobicContact CD1-CD2 3.72Å; F287-L389 HydrophobicContact CD1-CG 3.82Å; F287-L389 HydrophobicContact CD2-CD1 4.35Å; F287-L389 HydrophobicContact CE1-CD1 4.45Å; F287-L389 HydrophobicContact CE1-CD2 3.82Å; F287-L389 HydrophobicContact CE1-CG 4.42Å; F287-L389 HydrophobicContact CG-CD1 3.69Å; F287-L389 HydrophobicContact CG-CD2 4.49Å; F287-L389 HydrophobicContact CG-CG 4.27Å; F325-L389 HydrophobicContact CE1-CD1 3.71Å; F325-L389 HydrophobicContact CE1-CD2 4Å; F325-L389 HydrophobicContact CE1-CG 4.43Å; F325-L389 HydrophobicContact CZ-CD1 3.72Å; F325-L389 HydrophobicContact CZ-CD2 3.63Å; F325-L389 HydrophobicContact CZ-CG 4.32Å; V379-L389 HydrophobicContact CB-CD1 4.08Å; V379-L389 HydrophobicContact CG1-CD1 4Å; V379-L389 HydrophobicContact CG2-CD1 3.75Å; M383-L389 HydrophobicContact CE-CB 3.63Å; M383-L389 HydrophobicContact CE-CD1 3.96Å; M383-L389 HydrophobicContact CE-CG 4.44Å; M383-L389 HydrophobicContact SD-CB 4.04Å; L389-I453 HydrophobicContact CD2-CD1 4.14Å
390T62.5Low80Confident31 Ų3157 Ų5719%0.1928%0.279CS..  trans-125.7113.5-171.7-390000108.5V288 Y388 E392 N395V288-T390 HydrophobicContact CG2-CG2 3.69Å; Y388-T390 VanDerWaalsContact C-N 3.27Å; Y388-T390 PolarHBondContact O-N 2.86Å; T390-E392 PolarHBondContact O-N 3.25Å; T390-E392 VanDerWaalsContact O-N 3.13Å; T390-N395 WeakPolarHBondContact CG2-ND2 3.39Å
391N68.9Low79.6Confident55 Ų5555.4 Ų55.429%0.29427%0.273SS..  trans-80.297.1169.4-162.8-44.9000108.8F227 L393 V394 N395F227-N391 WeakPolarHBondContact CE2-ND2 3.41Å; N391-L393 PolarHBondContact O-N 3.22Å; N391-L393 VanDerWaalsContact O-N 3.11Å; N391-L393 WeakPolarHBondContact OD1-CB 3.34Å; N391-L393 PolarHBondContact OD1-N 3.47Å; N391-L393 VanDerWaalsContact OD1-N 3.07Å; N391-V394 HydrophobicContact CB-CB 3.95Å; N391-V394 HydrophobicContact CB-CG2 3.59Å; N391-V394 WeakPolarHBondContact O-CA 3.44Å; N391-V394 WeakPolarHBondContact O-CB 3.5Å; N391-V394 PolarHBondContact O-N 2.8Å; N391-V394 PolarHBondContact OD1-N 2.96Å; N391-N395 PolarHBondContact O-N 2.87Å
392E69.8Low79.1Confident31 Ų3152.9 Ų52.915%0.14526%0.263CS..Hα-helixtrans-52.4-31.7177.7-88.2169.5-117.500112.7T390 N395 A396 R442 R443 F446T390-E392 PolarHBondContact O-N 3.25Å; T390-E392 VanDerWaalsContact O-N 3.13Å; E392-N395 PolarHBondContact O-N 2.98Å; E392-A396 VanDerWaalsContact O-CB 3.28Å; E392-A396 WeakPolarHBondContact O-CB 3.49Å; E392-A396 PolarHBondContact O-N 2.96Å; E392-R442 HydrophobicContact CB-CG 4.47Å; E392-R442 WeakPolarHBondContact OE1-CB 3.31Å; E392-R442 IonicContact OE1-CZ 2.89Å; E392-R442 IonicContact OE1-NE 3.84Å; E392-R442 PolarHBondContact OE1-NE 3.05Å; E392-R442 IonicContact OE1-NH2 3.51Å; E392-R442 WeakPolarHBondContact OE2-CA 3.43Å; E392-R443 PolarHBondContact OE2-N 3.04Å; E392-F446 VanDerWaalsContact CD-CD2 3.48Å; E392-F446 HydrophobicContact CG-CD2 4.1Å; E392-F446 VanDerWaalsContact OE1-CB 3.24Å; E392-F446 WeakPolarHBondContact OE1-CB 3.44Å; E392-F446 VanDerWaalsContact OE1-CD2 3.26Å; E392-F446 WeakPolarHBondContact OE1-CD2 3.32Å
393L72.3Confident78.9Confident39 Ų3952.8 Ų52.820%0.20427%0.27CS..Hα-helixtrans-68-44177-53.1172.1000110.7F227 N391 N395 A396 A397 P439F227-L393 HydrophobicContact CD2-CB 4.42Å; N391-L393 PolarHBondContact O-N 3.22Å; N391-L393 VanDerWaalsContact O-N 3.11Å; N391-L393 WeakPolarHBondContact OD1-CB 3.34Å; N391-L393 PolarHBondContact OD1-N 3.47Å; N391-L393 VanDerWaalsContact OD1-N 3.07Å; L393-N395 PolarHBondContact O-N 2.81Å; L393-A396 PolarHBondContact O-N 2.81Å; L393-A397 VanDerWaalsContact O-CB 3.29Å; L393-A397 WeakPolarHBondContact O-CB 3.45Å; L393-A397 PolarHBondContact O-N 2.82Å; L393-P439 HydrophobicContact CD1-CB 3.53Å; L393-P439 HydrophobicContact CD1-CG 3.97Å; L393-P439 HydrophobicContact CD2-CB 3.78Å; L393-P439 HydrophobicContact CG-CB 4.3Å
394V78.6Confident78.5Confident13 Ų1353.9 Ų53.98%0.07928%0.275CS..Hα-helixtrans-59.2-48.6173.6175.30000110.3V202 M221 F227 N391 A396 A397 S398V202-V394 HydrophobicContact CB-CG1 4.35Å; V202-V394 HydrophobicContact CG1-CG1 3.75Å; V202-V394 HydrophobicContact CG2-CG1 4.07Å; V202-V394 HydrophobicContact CG2-CG2 3.8Å; M221-V394 HydrophobicContact CE-CG1 4.25Å; F227-V394 HydrophobicContact CB-CG2 4.04Å; F227-V394 HydrophobicContact CD1-CG2 3.49Å; F227-V394 VanDerWaalsContact CD1-CG2 3.49Å; F227-V394 HydrophobicContact CD2-CG2 3.54Å; F227-V394 HydrophobicContact CE1-CG2 3.78Å; F227-V394 HydrophobicContact CE2-CG2 3.87Å; F227-V394 HydrophobicContact CG-CG2 3.34Å; F227-V394 HydrophobicContact CZ-CG2 3.94Å; N391-V394 HydrophobicContact CB-CB 3.95Å; N391-V394 HydrophobicContact CB-CG2 3.59Å; N391-V394 WeakPolarHBondContact O-CA 3.44Å; N391-V394 WeakPolarHBondContact O-CB 3.5Å; N391-V394 PolarHBondContact O-N 2.8Å; N391-V394 PolarHBondContact OD1-N 2.96Å; V394-A396 VanDerWaalsContact C-N 3.34Å; V394-A396 PolarHBondContact O-N 3.5Å; V394-A397 PolarHBondContact O-N 2.93Å; V394-S398 WeakPolarHBondContact O-CB 3.16Å; V394-S398 PolarHBondContact O-N 3.18Å; V394-S398 PolarHBondContact O-OG 3.49Å; V394-S398 VanDerWaalsContact O-OG 3.11Å
395N77.3Confident78Confident22 Ų2251.2 Ų51.212%0.11826%0.261CS..Hα-helixtrans-63.9-38.9179.6-80-16.7000112.7T390 N391 E392 L393 R399T390-N395 WeakPolarHBondContact CG2-ND2 3.39Å; N391-N395 PolarHBondContact O-N 2.87Å; E392-N395 PolarHBondContact O-N 2.98Å; L393-N395 PolarHBondContact O-N 2.81Å; N395-R399 WeakPolarHBondContact O-CB 3.5Å; N395-R399 WeakPolarHBondContact O-CG 3.43Å; N395-R399 PolarHBondContact O-N 2.68Å; N395-R399 PolarHBondContact O-NE 3.48Å
396A79.2Confident77.3Confident45 Ų4547.4 Ų47.437%0.37225%0.254SS..Hα-helixtrans-64.6-43.9174.600000111.3E392 L393 V394 R399 R400E392-A396 VanDerWaalsContact O-CB 3.28Å; E392-A396 WeakPolarHBondContact O-CB 3.49Å; E392-A396 PolarHBondContact O-N 2.96Å; L393-A396 PolarHBondContact O-N 2.81Å; V394-A396 VanDerWaalsContact C-N 3.34Å; V394-A396 PolarHBondContact O-N 3.5Å; A396-R399 PolarHBondContact O-N 2.86Å; A396-R400 WeakPolarHBondContact O-CB 3.33Å; A396-R400 PolarHBondContact O-N 2.99Å
397A82Confident76.7Confident2 Ų250.2 Ų50.22%0.01727%0.265CS..Hα-helixtrans-61.9-49.9175.900000111.7M221 L393 V394 R399 R400 I401 W425M221-A397 HydrophobicContact SD-CB 3.62Å; L393-A397 VanDerWaalsContact O-CB 3.29Å; L393-A397 WeakPolarHBondContact O-CB 3.45Å; L393-A397 PolarHBondContact O-N 2.82Å; V394-A397 PolarHBondContact O-N 2.93Å; A397-R399 VanDerWaalsContact C-N 3.32Å; A397-R399 PolarHBondContact O-N 3.13Å; A397-R400 WeakPolarHBondContact O-CB 3.4Å; A397-R400 PolarHBondContact O-N 3.23Å; A397-R400 VanDerWaalsContact O-N 3.1Å; A397-I401 VanDerWaalsContact O-CG1 3.28Å; A397-I401 WeakPolarHBondContact O-CG1 3.28Å; A397-I401 PolarHBondContact O-N 3.42Å; A397-W425 HydrophobicContact CB-CH2 3.68Å; A397-W425 HydrophobicContact CB-CZ3 4.33Å
398S80.5Confident76.1Confident4 Ų448.4 Ų48.43%0.02827%0.266CS..Hα-helixtrans-56.9-43.7175.6-65.40000111.9N204 V394 I401 S402N204-S398 WeakPolarHBondContact ND2-CB 3.26Å; N204-S398 PolarHBondContact ND2-OG 3.03Å; V394-S398 WeakPolarHBondContact O-CB 3.16Å; V394-S398 PolarHBondContact O-N 3.18Å; V394-S398 PolarHBondContact O-OG 3.49Å; V394-S398 VanDerWaalsContact O-OG 3.11Å; S398-I401 PolarHBondContact O-N 3.34Å; S398-S402 WeakPolarHBondContact O-CB 3.25Å; S398-S402 PolarHBondContact O-N 3.05Å; S398-S402 PolarHBondContact O-OG 3.28Å; S398-S402 VanDerWaalsContact O-OG 3.1Å
399R82.2Confident75.9Confident145 Ų14542.9 Ų42.955%0.54725%0.245SC..Hα-helixtrans-63-42.3175.5-77.9-175.3-64.1-103.4-2.1112.2N395 A396 A397 S402 S403N395-R399 WeakPolarHBondContact O-CB 3.5Å; N395-R399 WeakPolarHBondContact O-CG 3.43Å; N395-R399 PolarHBondContact O-N 2.68Å; N395-R399 PolarHBondContact O-NE 3.48Å; A396-R399 PolarHBondContact O-N 2.86Å; A397-R399 VanDerWaalsContact C-N 3.32Å; A397-R399 PolarHBondContact O-N 3.13Å; R399-S402 PolarHBondContact O-N 3.33Å; R399-S403 WeakPolarHBondContact O-CB 3.44Å; R399-S403 PolarHBondContact O-N 3.37Å; R399-S403 PolarHBondContact O-OG 2.9Å
400R85.7Confident75.4Confident105 Ų10545.5 Ų45.540%0.39626%0.264SS..Hα-helixtrans-61.2-49.3177.1179.162176.1169.210.4110.8A396 A397 S402 S403 E404 L422 W425A396-R400 WeakPolarHBondContact O-CB 3.33Å; A396-R400 PolarHBondContact O-N 2.99Å; A397-R400 WeakPolarHBondContact O-CB 3.4Å; A397-R400 PolarHBondContact O-N 3.23Å; A397-R400 VanDerWaalsContact O-N 3.1Å; R400-S402 PolarHBondContact O-N 3.49Å; R400-S403 PolarHBondContact O-N 2.79Å; R400-S403 PolarHBondContact O-OG 3.45Å; R400-E404 IonicContact CZ-OE1 2.74Å; R400-E404 IonicContact NE-OE1 2.66Å; R400-E404 IonicContact NH1-OE1 2.73Å; R400-E404 IonicContact NH2-OE1 3.32Å; R400-E404 PolarHBondContact NH2-OE1 3.1Å; R400-E404 PolarHBondContact O-N 3.49Å; R400-L422 HydrophobicContact CG-CD2 4.29Å; R400-W425 HydrophobicContact CB-CH2 4.45Å; R400-W425 HydrophobicContact CG-CD2 4.32Å; R400-W425 HydrophobicContact CG-CE3 4.24Å; R400-W425 HydrophobicContact CG-CH2 4.45Å; R400-W425 HydrophobicContact CG-CZ2 4.48Å; R400-W425 HydrophobicContact CG-CZ3 4.31Å
401I84.5Confident75.7Confident0 Ų045.9 Ų45.90%027%0.266CS..Hα-helixtrans-57.3-51.2176.8-65.4160.2000110.1T206 V219 M221 P229 A397 S398 S403 E404 F405 L422T206-I401 HydrophobicContact CG2-CB 4.36Å; T206-I401 HydrophobicContact CG2-CG2 3.72Å; V219-I401 HydrophobicContact CB-CD1 4.49Å; V219-I401 HydrophobicContact CG1-CD1 3.93Å; V219-I401 HydrophobicContact CG2-CG2 4.11Å; M221-I401 HydrophobicContact SD-CD1 3.9Å; P229-I401 HydrophobicContact CG-CD1 4.25Å; A397-I401 VanDerWaalsContact O-CG1 3.28Å; A397-I401 WeakPolarHBondContact O-CG1 3.28Å; A397-I401 PolarHBondContact O-N 3.42Å; S398-I401 PolarHBondContact O-N 3.34Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.47Å; I401-E404 PolarHBondContact O-N 2.86Å; I401-E404 VanDerWaalsContact O-N 3.17Å; I401-F405 HydrophobicContact CG2-CD2 3.72Å; I401-F405 HydrophobicContact CG2-CE2 3.48Å; I401-F405 VanDerWaalsContact CG2-CE2 3.48Å; I401-F405 HydrophobicContact CG2-CZ 4.43Å; I401-F405 PolarHBondContact O-N 3.25Å; I401-L422 HydrophobicContact CG1-CD1 4.4Å; I401-L422 HydrophobicContact CG1-CD2 4.12Å; I401-L422 HydrophobicContact CG2-CD1 4.22Å
402S81.5Confident76.1Confident43 Ų4343.5 Ų43.530%0.30125%0.253SS..Hα-helixtrans-60.2-37.3179.2-64.70000112.6S398 R399 R400 F405 A406S398-S402 WeakPolarHBondContact O-CB 3.25Å; S398-S402 PolarHBondContact O-N 3.05Å; S398-S402 PolarHBondContact O-OG 3.28Å; S398-S402 VanDerWaalsContact O-OG 3.1Å; R399-S402 PolarHBondContact O-N 3.33Å; R400-S402 PolarHBondContact O-N 3.49Å; S402-F405 CarbonylContact O-C 3.57Å; S402-F405 PolarHBondContact O-N 3.15Å; S402-A406 WeakPolarHBondContact O-CB 3.43Å; S402-A406 PolarHBondContact O-N 2.61Å
403S83Confident76.6Confident65 Ų6542.7 Ų42.746%0.45525%0.249SC..Hα-helixtrans-67-36.5177.872.80000113.2R399 R400 I401 F405R399-S403 WeakPolarHBondContact O-CB 3.44Å; R399-S403 PolarHBondContact O-N 3.37Å; R399-S403 PolarHBondContact O-OG 2.9Å; R400-S403 PolarHBondContact O-N 2.79Å; R400-S403 PolarHBondContact O-OG 3.45Å; I401-S403 VanDerWaalsContact C-N 3.26Å; I401-S403 PolarHBondContact O-N 3.47Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.97Å
404E83.1Confident76.9Confident24 Ų2445.8 Ų45.811%0.11226%0.261CS..Hα-helixtrans-70-27.1176.9-73.4-64.3163.400112.1R400 I401 R418 L422R400-E404 IonicContact CZ-OE1 2.74Å; R400-E404 IonicContact NE-OE1 2.66Å; R400-E404 IonicContact NH1-OE1 2.73Å; R400-E404 IonicContact NH2-OE1 3.32Å; R400-E404 PolarHBondContact NH2-OE1 3.1Å; R400-E404 PolarHBondContact O-N 3.49Å; I401-E404 PolarHBondContact O-N 2.86Å; I401-E404 VanDerWaalsContact O-N 3.17Å; E404-R418 IonicContact OE2-NH1 2.76Å; E404-R418 PolarHBondContact OE2-NH1 2.91Å; E404-R418 VanDerWaalsContact OE2-NH1 3.14Å; E404-L422 HydrophobicContact CB-CD1 4.08Å; E404-L422 HydrophobicContact CB-CD2 4.11Å; E404-L422 HydrophobicContact CB-CG 4.07Å; E404-L422 HydrophobicContact CG-CD2 3.7Å; E404-L422 HydrophobicContact CG-CG 3.98Å
405F79.3Confident77.1Confident8 Ų845.6 Ų45.64%0.03526%0.259CS..Hα-helixtrans-98.3-4.5179.6-60.5-29000114.6L207 I209 V217 V219 I401 S402 S403 V407 F415 R418 I419 L422L207-F405 HydrophobicContact CD1-CB 3.82Å; I209-F405 HydrophobicContact CD1-CB 4.44Å; I209-F405 HydrophobicContact CD1-CG 4.49Å; V217-F405 HydrophobicContact CG1-CE2 4Å; V217-F405 HydrophobicContact CG1-CZ 4.39Å; V219-F405 HydrophobicContact CG2-CE2 4.43Å; I401-F405 HydrophobicContact CG2-CD2 3.72Å; I401-F405 HydrophobicContact CG2-CE2 3.48Å; I401-F405 VanDerWaalsContact CG2-CE2 3.48Å; I401-F405 HydrophobicContact CG2-CZ 4.43Å; I401-F405 PolarHBondContact O-N 3.25Å; S402-F405 CarbonylContact O-C 3.57Å; S402-F405 PolarHBondContact O-N 3.15Å; S403-F405 VanDerWaalsContact C-N 3.27Å; S403-F405 PolarHBondContact O-N 2.97Å; F405-V407 PolarHBondContact O-N 3.3Å; F405-F415 HydrophobicContact CB-CE2 4.22Å; F405-F415 HydrophobicContact CD1-CD2 4.3Å; F405-F415 AromaticContact CD1-CE2 3.24Å; F405-F415 HydrophobicContact CD1-CE2 3.24Å; F405-F415 AromaticContact CD1-CZ 3.38Å; F405-F415 HydrophobicContact CD1-CZ 3.38Å; F405-F415 HydrophobicContact CD2-CZ 4.19Å; F405-F415 HydrophobicContact CE1-CE1 4.08Å; F405-F415 AromaticContact CE1-CE2 3.63Å; F405-F415 HydrophobicContact CE1-CE2 3.63Å; F405-F415 AromaticContact CE1-CZ 3.3Å; F405-F415 HydrophobicContact CE1-CZ 3.3Å; F405-F415 HydrophobicContact CE2-CZ 4.13Å; F405-F415 AromaticContact CG-CE2 3.77Å; F405-F415 HydrophobicContact CG-CE2 3.77Å; F405-F415 AromaticContact CG-CZ 3.84Å; F405-F415 HydrophobicContact CG-CZ 3.84Å; F405-F415 HydrophobicContact CZ-CE1 4.35Å; F405-F415 HydrophobicContact CZ-CE2 4.42Å; F405-F415 AromaticContact CZ-CZ 3.69Å; F405-F415 HydrophobicContact CZ-CZ 3.69Å; F405-R418 HydrophobicContact CD1-CB 4.16Å; F405-R418 HydrophobicContact CE1-CB 4.01Å; F405-I419 HydrophobicContact CE1-CG1 4.16Å; F405-I419 HydrophobicContact CZ-CG1 4.15Å; F405-L422 HydrophobicContact CD1-CD1 4.43Å; F405-L422 HydrophobicContact CE1-CD1 3.64Å; F405-L422 HydrophobicContact CE2-CD1 3.89Å; F405-L422 HydrophobicContact CZ-CD1 3.32Å
406A72.4Confident77.5Confident73 Ų7344.6 Ų44.660%0.60325%0.253SS*.SBendtrans-64.9-23.7-17700000114S402S402-A406 WeakPolarHBondContact O-CB 3.43Å; S402-A406 PolarHBondContact O-N 2.61Å
407V69.5Low77.8Confident91 Ų9145.9 Ų45.955%0.55225%0.254SS*.SBendtrans-92.6121.1-179-178.10000109.6F405 Q409F405-V407 PolarHBondContact O-N 3.3Å; V407-Q409 PolarHBondContact O-N 3.48Å; V407-Q409 PolarHBondContact O-NE2 2.86Å
408A64.8Low78Confident58 Ų5850.3 Ų50.348%0.47927%0.27SS..PPolyproline II helixtrans-52.2122.917300000110.3
409Q67.9Low78.5Confident27 Ų2750.1 Ų50.113%0.12627%0.269CS..PPolyproline II helixtrans-94.9129.8-177.8-62.8-55-41.300110V407 T411 K414 F415V407-Q409 PolarHBondContact O-N 3.48Å; V407-Q409 PolarHBondContact O-NE2 2.86Å; Q409-T411 PolarHBondContact O-N 2.85Å; Q409-T411 VanDerWaalsContact O-N 3.14Å; Q409-K414 HydrophobicContact CB-CB 4.35Å; Q409-F415 HydrophobicContact CB-CB 4.23Å; Q409-F415 HydrophobicContact CG-CB 4.25Å; Q409-F415 HydrophobicContact CG-CD2 4.03Å
410P58.2Low78.9Confident75 Ų7545.4 Ų45.449%0.48725%0.251SS..SBendtrans-71.4-11.2-177.129-35.6000112.9Q148 K414Q148-P410 VanDerWaalsContact NE2-C 3.31Å; Q148-P410 PolarHBondContact NE2-O 2.9Å; P410-K414 HydrophobicContact CG-CD 3.67Å
411T69.9Low79Confident38 Ų3842.1 Ų42.123%0.23325%0.247CC..SBendtrans-146.5151.517568.20000111.8Q148 Q409 W413 K414 F415Q148-T411 HydrophobicContact CG-CG2 4.44Å; Q409-T411 PolarHBondContact O-N 2.85Å; Q409-T411 VanDerWaalsContact O-N 3.14Å; T411-W413 PolarHBondContact O-N 3.19Å; T411-K414 PolarHBondContact O-N 3.36Å; T411-K414 PolarHBondContact OG1-N 3.32Å; T411-F415 PolarHBondContact O-N 2.96Å; T411-F415 VanDerWaalsContact O-N 3.14Å
412T76.5Confident79.4Confident5 Ų542.1 Ų42.13%0.03125%0.247CC..Hα-helixtrans-52-35.5169.5-52.20000112.2L213 F214 L234 F415 V416L213-T412 WeakPolarHBondContact CD1-OG1 3.47Å; F214-T412 HydrophobicContact CD2-CG2 3.93Å; F214-T412 HydrophobicContact CE2-CG2 3.89Å; L234-T412 HydrophobicContact CD1-CG2 4.36Å; T412-F415 WeakPolarHBondContact O-CA 3.32Å; T412-F415 VanDerWaalsContact O-CB 3.23Å; T412-F415 WeakPolarHBondContact O-CB 3.37Å; T412-F415 PolarHBondContact O-N 3.37Å; T412-V416 WeakPolarHBondContact O-CG2 3.23Å; T412-V416 PolarHBondContact O-N 2.92Å
413W80.8Confident79.9Confident15 Ų1540.1 Ų40.16%0.05723%0.232CC..Hα-helixtrans-74.4-37.8-177.6-58.5128.7000113.6E97 I155 V157 P158 Y161 T411 F415 V416 D417E97-W413 VanDerWaalsContact CD-NE1 3.26Å; E97-W413 PolarHBondContact OE1-NE1 2.92Å; E97-W413 PolarHBondContact OE2-NE1 3.5Å; I155-W413 HydrophobicContact CG2-CH2 3.69Å; I155-W413 HydrophobicContact CG2-CZ2 3.85Å; V157-W413 HydrophobicContact CB-CH2 4.03Å; V157-W413 HydrophobicContact CB-CZ3 4.43Å; V157-W413 HydrophobicContact CG1-CH2 3.94Å; V157-W413 HydrophobicContact CG1-CZ3 3.84Å; V157-W413 HydrophobicContact CG2-CH2 4Å; P158-W413 HydrophobicContact CG-CD2 4.34Å; P158-W413 HydrophobicContact CG-CZ2 4.09Å; Y161-W413 HydrophobicContact CD1-CE3 4.35Å; Y161-W413 HydrophobicContact CD2-CD2 4.13Å; Y161-W413 AromaticContact CD2-CE3 3.72Å; Y161-W413 HydrophobicContact CD2-CE3 3.72Å; Y161-W413 HydrophobicContact CD2-CZ3 4.34Å; Y161-W413 HydrophobicContact CE1-CB 4.31Å; Y161-W413 HydrophobicContact CE2-CB 3.96Å; Y161-W413 HydrophobicContact CE2-CD2 4.01Å; Y161-W413 AromaticContact CE2-CE3 3.99Å; Y161-W413 HydrophobicContact CE2-CE3 3.99Å; Y161-W413 AromaticContact CE2-CG 3.98Å; Y161-W413 HydrophobicContact CE2-CG 3.98Å; Y161-W413 AromaticContact CG-CE3 3.93Å; Y161-W413 HydrophobicContact CG-CE3 3.93Å; Y161-W413 HydrophobicContact CG-CZ3 4.41Å; T411-W413 PolarHBondContact O-N 3.19Å; W413-F415 PolarHBondContact O-N 3.44Å; W413-V416 HydrophobicContact CE3-CB 4.43Å; W413-V416 HydrophobicContact CE3-CG2 4.03Å; W413-V416 HydrophobicContact CZ3-CG2 4.21Å; W413-V416 CarbonylContact O-C 3.58Å; W413-V416 PolarHBondContact O-N 3.15Å; W413-V416 VanDerWaalsContact O-N 3.1Å; W413-D417 PolarHBondContact O-N 3.33Å
414K79Confident80.4Confident104 Ų10440.5 Ų40.545%0.45223%0.227SC..Hα-helixtrans-63-30.9169.2-74.7-164-171177.70111.6Q409 P410 T411 D417 R418Q409-K414 HydrophobicContact CB-CB 4.35Å; P410-K414 HydrophobicContact CG-CD 3.67Å; T411-K414 PolarHBondContact O-N 3.36Å; T411-K414 PolarHBondContact OG1-N 3.32Å; K414-D417 PolarHBondContact O-N 2.86Å; K414-R418 PolarHBondContact O-N 3.47Å
415F81.6Confident80.8Confident9 Ų942.7 Ų42.74%0.03923%0.234CC..Hα-helixtrans-64.5-46.7170.3-170.3-94.7000111.8I209 V217 L234 F405 Q409 T411 T412 W413 D417 R418 I419I209-F415 HydrophobicContact CD1-CD2 4.09Å; I209-F415 HydrophobicContact CD1-CE1 4.1Å; I209-F415 HydrophobicContact CD1-CE2 3.15Å; I209-F415 HydrophobicContact CD1-CZ 3.15Å; I209-F415 HydrophobicContact CG2-CD2 4.41Å; I209-F415 HydrophobicContact CG2-CE2 4.31Å; V217-F415 HydrophobicContact CB-CZ 4.4Å; V217-F415 HydrophobicContact CG1-CE1 4.37Å; V217-F415 HydrophobicContact CG1-CZ 4.28Å; V217-F415 HydrophobicContact CG2-CE1 3.67Å; V217-F415 HydrophobicContact CG2-CZ 3.68Å; L234-F415 HydrophobicContact CD2-CD1 3.67Å; L234-F415 HydrophobicContact CD2-CE1 3.38Å; F405-F415 HydrophobicContact CB-CE2 4.22Å; F405-F415 HydrophobicContact CD1-CD2 4.3Å; F405-F415 AromaticContact CD1-CE2 3.24Å; F405-F415 HydrophobicContact CD1-CE2 3.24Å; F405-F415 AromaticContact CD1-CZ 3.38Å; F405-F415 HydrophobicContact CD1-CZ 3.38Å; F405-F415 HydrophobicContact CD2-CZ 4.19Å; F405-F415 HydrophobicContact CE1-CE1 4.08Å; F405-F415 AromaticContact CE1-CE2 3.63Å; F405-F415 HydrophobicContact CE1-CE2 3.63Å; F405-F415 AromaticContact CE1-CZ 3.3Å; F405-F415 HydrophobicContact CE1-CZ 3.3Å; F405-F415 HydrophobicContact CE2-CZ 4.13Å; F405-F415 AromaticContact CG-CE2 3.77Å; F405-F415 HydrophobicContact CG-CE2 3.77Å; F405-F415 AromaticContact CG-CZ 3.84Å; F405-F415 HydrophobicContact CG-CZ 3.84Å; F405-F415 HydrophobicContact CZ-CE1 4.35Å; F405-F415 HydrophobicContact CZ-CE2 4.42Å; F405-F415 AromaticContact CZ-CZ 3.69Å; F405-F415 HydrophobicContact CZ-CZ 3.69Å; Q409-F415 HydrophobicContact CB-CB 4.23Å; Q409-F415 HydrophobicContact CG-CB 4.25Å; Q409-F415 HydrophobicContact CG-CD2 4.03Å; T411-F415 PolarHBondContact O-N 2.96Å; T411-F415 VanDerWaalsContact O-N 3.14Å; T412-F415 WeakPolarHBondContact O-CA 3.32Å; T412-F415 VanDerWaalsContact O-CB 3.23Å; T412-F415 WeakPolarHBondContact O-CB 3.37Å; T412-F415 PolarHBondContact O-N 3.37Å; W413-F415 PolarHBondContact O-N 3.44Å; F415-D417 VanDerWaalsContact C-N 3.25Å; F415-D417 PolarHBondContact O-N 3.31Å; F415-R418 WeakPolarHBondContact O-CA 3.14Å; F415-R418 VanDerWaalsContact O-CB 3.3Å; F415-R418 WeakPolarHBondContact O-CB 3.42Å; F415-R418 PolarHBondContact O-N 2.86Å; F415-I419 HydrophobicContact CD1-CD1 4.03Å; F415-I419 HydrophobicContact CD1-CG1 4.23Å; F415-I419 HydrophobicContact CE1-CD1 3.76Å; F415-I419 HydrophobicContact CE1-CG1 3.87Å; F415-I419 PolarHBondContact O-N 2.77Å; F415-I419 VanDerWaalsContact O-N 3.1Å
416V85.5Confident81.5Confident0 Ų042.3 Ų42.30%023%0.233CC..Hα-helixtrans-61.1-33.1174.3-179.60000112.1Y161 F170 F186 L234 T412 W413 R418 I419 R420Y161-V416 HydrophobicContact CD1-CB 4.01Å; Y161-V416 HydrophobicContact CD1-CG1 3.56Å; Y161-V416 HydrophobicContact CE1-CB 4.32Å; Y161-V416 HydrophobicContact CE1-CG1 4.29Å; Y161-V416 HydrophobicContact CG-CG1 4.31Å; F170-V416 HydrophobicContact CE1-CG1 4.07Å; F186-V416 HydrophobicContact CD1-CG1 4.23Å; F186-V416 HydrophobicContact CE1-CG1 3.78Å; F186-V416 HydrophobicContact CE1-CG2 4.4Å; F186-V416 HydrophobicContact CE2-CG2 3.96Å; F186-V416 HydrophobicContact CZ-CG1 3.95Å; F186-V416 HydrophobicContact CZ-CG2 3.72Å; L234-V416 HydrophobicContact CD1-CG2 4.33Å; T412-V416 WeakPolarHBondContact O-CG2 3.23Å; T412-V416 PolarHBondContact O-N 2.92Å; W413-V416 HydrophobicContact CE3-CB 4.43Å; W413-V416 HydrophobicContact CE3-CG2 4.03Å; W413-V416 HydrophobicContact CZ3-CG2 4.21Å; W413-V416 CarbonylContact O-C 3.58Å; W413-V416 PolarHBondContact O-N 3.15Å; W413-V416 VanDerWaalsContact O-N 3.1Å; V416-R418 VanDerWaalsContact C-N 3.27Å; V416-R418 PolarHBondContact O-N 3.14Å; V416-I419 WeakPolarHBondContact O-CB 3.37Å; V416-I419 PolarHBondContact O-N 3.17Å; V416-R420 WeakPolarHBondContact O-CG 3.41Å; V416-R420 PolarHBondContact O-N 3.17Å
417D85.3Confident82.5Confident72 Ų7239.3 Ų39.339%0.38521%0.207SC..Hα-helixtrans-62.5-32.8171.9-71.9-35.6000112.6Y161 W413 K414 F415 R420 A421Y161-D417 VanDerWaalsContact CE1-OD1 3.31Å; Y161-D417 WeakPolarHBondContact CE1-OD1 3.49Å; W413-D417 PolarHBondContact O-N 3.33Å; K414-D417 PolarHBondContact O-N 2.86Å; F415-D417 VanDerWaalsContact C-N 3.25Å; F415-D417 PolarHBondContact O-N 3.31Å; D417-R420 WeakPolarHBondContact O-CB 3.39Å; D417-R420 PolarHBondContact O-N 3.34Å; D417-R420 IonicContact OD1-NH1 2.73Å; D417-A421 PolarHBondContact O-N 3.44Å; D417-A421 VanDerWaalsContact O-N 3.1Å
418R87.2Confident83.6Confident95 Ų9539.3 Ų39.336%0.35820%0.201SC..Hα-helixtrans-68.8-40.6171.3-63.5-67.4177.5-178.9-3112E404 F405 K414 F415 V416 R420 A421 L422E404-R418 IonicContact OE2-NH1 2.76Å; E404-R418 PolarHBondContact OE2-NH1 2.91Å; E404-R418 VanDerWaalsContact OE2-NH1 3.14Å; F405-R418 HydrophobicContact CD1-CB 4.16Å; F405-R418 HydrophobicContact CE1-CB 4.01Å; K414-R418 PolarHBondContact O-N 3.47Å; F415-R418 WeakPolarHBondContact O-CA 3.14Å; F415-R418 VanDerWaalsContact O-CB 3.3Å; F415-R418 WeakPolarHBondContact O-CB 3.42Å; F415-R418 PolarHBondContact O-N 2.86Å; V416-R418 VanDerWaalsContact C-N 3.27Å; V416-R418 PolarHBondContact O-N 3.14Å; R418-R420 PolarHBondContact O-N 3.22Å; R418-A421 PolarHBondContact O-N 2.98Å; R418-L422 PolarHBondContact O-N 3.16Å
419I90.5Very high84.9Confident0 Ų037.5 Ų37.50%018%0.183CC..Hα-helixtrans-58.4-39.6172.7-56.6178.3000110.1F170 F186 F232 L234 F405 F415 V416 L422 Q423F170-I419 HydrophobicContact CZ-CB 4.45Å; F170-I419 HydrophobicContact CZ-CG2 3.87Å; F186-I419 HydrophobicContact CB-CG2 4.11Å; F186-I419 HydrophobicContact CD2-CD1 3.99Å; F186-I419 HydrophobicContact CE2-CD1 4.49Å; F232-I419 HydrophobicContact CB-CD1 4.33Å; F232-I419 HydrophobicContact CB-CG2 3.59Å; F232-I419 HydrophobicContact CD1-CG2 3.99Å; F232-I419 HydrophobicContact CD2-CG2 3.6Å; F232-I419 HydrophobicContact CE2-CG2 4.21Å; F232-I419 HydrophobicContact CG-CG2 3.47Å; F232-I419 VanDerWaalsContact CG-CG2 3.47Å; L234-I419 HydrophobicContact CD2-CD1 3.97Å; L234-I419 HydrophobicContact CG-CD1 4.43Å; F405-I419 HydrophobicContact CE1-CG1 4.16Å; F405-I419 HydrophobicContact CZ-CG1 4.15Å; F415-I419 HydrophobicContact CD1-CD1 4.03Å; F415-I419 HydrophobicContact CD1-CG1 4.23Å; F415-I419 HydrophobicContact CE1-CD1 3.76Å; F415-I419 HydrophobicContact CE1-CG1 3.87Å; F415-I419 PolarHBondContact O-N 2.77Å; F415-I419 VanDerWaalsContact O-N 3.1Å; V416-I419 WeakPolarHBondContact O-CB 3.37Å; V416-I419 PolarHBondContact O-N 3.17Å; I419-L422 CarbonylContact O-C 3.35Å; I419-L422 WeakPolarHBondContact O-CB 3.34Å; I419-L422 PolarHBondContact O-N 2.96Å; I419-Q423 PolarHBondContact O-N 2.74Å
420R89.9Confident86Confident46 Ų4638 Ų3817%0.17418%0.184CC..Hα-helixtrans-63.6-42.6175.9-73.2169.7159.5-165.9-24.6113.3A160 T163 F170 V416 D417 R418 L422 Q423 E424A160-R420 PolarHBondContact O-NH1 2.97Å; A160-R420 PolarHBondContact O-NH2 3Å; T163-R420 PolarHBondContact O-NH2 3.02Å; F170-R420 HydrophobicContact CD1-CG 4.22Å; F170-R420 HydrophobicContact CE1-CG 3.44Å; F170-R420 VanDerWaalsContact CE1-CG 3.44Å; F170-R420 HydrophobicContact CZ-CG 3.63Å; V416-R420 WeakPolarHBondContact O-CG 3.41Å; V416-R420 PolarHBondContact O-N 3.17Å; D417-R420 WeakPolarHBondContact O-CB 3.39Å; D417-R420 PolarHBondContact O-N 3.34Å; D417-R420 IonicContact OD1-NH1 2.73Å; R418-R420 PolarHBondContact O-N 3.22Å; R420-L422 VanDerWaalsContact C-N 3.26Å; R420-L422 PolarHBondContact O-N 2.76Å; R420-Q423 WeakPolarHBondContact O-CB 3.38Å; R420-Q423 PolarHBondContact O-N 3.32Å; R420-Q423 VanDerWaalsContact O-N 3.13Å; R420-E424 WeakPolarHBondContact O-CG 3.44Å; R420-E424 PolarHBondContact O-N 2.67Å
421A89.6Confident87.7Confident36 Ų3639.1 Ų39.130%0.29818%0.183SC..Hα-helixtrans-61.2-37.7174.500000111.7D417 R418 W425D417-A421 PolarHBondContact O-N 3.44Å; D417-A421 VanDerWaalsContact O-N 3.1Å; R418-A421 PolarHBondContact O-N 2.98Å; A421-W425 PolarHBondContact O-N 3.44Å
422L91.7Very high88.8Confident0 Ų038.7 Ų38.70%018%0.179CC..Hα-helixtrans-68.8-37172.6-72.8170000112.5F232 R400 I401 E404 F405 R418 I419 R420 W425 S426F232-L422 HydrophobicContact CE1-CB 3.85Å; F232-L422 HydrophobicContact CE1-CD1 3.95Å; F232-L422 HydrophobicContact CZ-CB 3.76Å; R400-L422 HydrophobicContact CG-CD2 4.29Å; I401-L422 HydrophobicContact CG1-CD1 4.4Å; I401-L422 HydrophobicContact CG1-CD2 4.12Å; I401-L422 HydrophobicContact CG2-CD1 4.22Å; E404-L422 HydrophobicContact CB-CD1 4.08Å; E404-L422 HydrophobicContact CB-CD2 4.11Å; E404-L422 HydrophobicContact CB-CG 4.07Å; E404-L422 HydrophobicContact CG-CD2 3.7Å; E404-L422 HydrophobicContact CG-CG 3.98Å; F405-L422 HydrophobicContact CD1-CD1 4.43Å; F405-L422 HydrophobicContact CE1-CD1 3.64Å; F405-L422 HydrophobicContact CE2-CD1 3.89Å; F405-L422 HydrophobicContact CZ-CD1 3.32Å; R418-L422 PolarHBondContact O-N 3.16Å; I419-L422 CarbonylContact O-C 3.35Å; I419-L422 WeakPolarHBondContact O-CB 3.34Å; I419-L422 PolarHBondContact O-N 2.96Å; R420-L422 VanDerWaalsContact C-N 3.26Å; R420-L422 PolarHBondContact O-N 2.76Å; L422-W425 HydrophobicContact CD2-CE3 4.36Å; L422-W425 PolarHBondContact O-N 3.42Å; L422-S426 WeakPolarHBondContact O-CB 3.49Å; L422-S426 PolarHBondContact O-N 2.84Å; L422-S426 PolarHBondContact O-OG 2.76Å
423Q93.1Very high89.5Confident1 Ų141.4 Ų41.41%0.00519%0.19CC..Hα-helixtrans-63.5-45.2174.6-173.562.965.400110.9F170 R188 I419 R420 W425 S426 D427F170-Q423 HydrophobicContact CD2-CG 4.35Å; F170-Q423 HydrophobicContact CE2-CB 3.81Å; F170-Q423 HydrophobicContact CE2-CG 3.78Å; F170-Q423 HydrophobicContact CZ-CB 4.37Å; R188-Q423 HydrophobicContact CG-CG 3.99Å; I419-Q423 PolarHBondContact O-N 2.74Å; R420-Q423 WeakPolarHBondContact O-CB 3.38Å; R420-Q423 PolarHBondContact O-N 3.32Å; R420-Q423 VanDerWaalsContact O-N 3.13Å; Q423-W425 VanDerWaalsContact C-N 3.26Å; Q423-W425 PolarHBondContact O-N 2.73Å; Q423-S426 CarbonylContact O-C 3.51Å; Q423-S426 WeakPolarHBondContact O-CA 3.26Å; Q423-S426 WeakPolarHBondContact O-CB 3.29Å; Q423-S426 PolarHBondContact O-N 3.38Å; Q423-D427 PolarHBondContact NE2-OD1 2.66Å; Q423-D427 PolarHBondContact O-N 2.88Å
424E92.2Very high90Very high74 Ų7446.9 Ų46.935%0.34622%0.217SC..Hα-helixtrans-58.8-40176.6-72.7168.4-153.900111.6K165 R420 D427 Q428K165-E424 WeakPolarHBondContact CE-OE1 3.44Å; K165-E424 IonicContact NZ-OE1 2.88Å; K165-E424 PolarHBondContact NZ-OE1 2.76Å; K165-E424 IonicContact NZ-OE2 3.24Å; K165-E424 PolarHBondContact NZ-OE2 3.23Å; K165-E424 VanDerWaalsContact NZ-OE2 3.1Å; R420-E424 WeakPolarHBondContact O-CG 3.44Å; R420-E424 PolarHBondContact O-N 2.67Å; E424-D427 PolarHBondContact O-N 2.88Å; E424-Q428 PolarHBondContact O-N 2.94Å; E424-Q428 VanDerWaalsContact O-N 3.11Å
425W92.7Very high90.7Very high69 Ų6952.3 Ų52.326%0.26123%0.234SC..Hα-helixtrans-66-38.2172.5173.761.8000112.6P229 A397 R400 A421 L422 Q423 Q428 L429P229-W425 HydrophobicContact CG-CE3 4.25Å; P229-W425 HydrophobicContact CG-CZ3 3.68Å; A397-W425 HydrophobicContact CB-CH2 3.68Å; A397-W425 HydrophobicContact CB-CZ3 4.33Å; R400-W425 HydrophobicContact CB-CH2 4.45Å; R400-W425 HydrophobicContact CG-CD2 4.32Å; R400-W425 HydrophobicContact CG-CE3 4.24Å; R400-W425 HydrophobicContact CG-CH2 4.45Å; R400-W425 HydrophobicContact CG-CZ2 4.48Å; R400-W425 HydrophobicContact CG-CZ3 4.31Å; A421-W425 PolarHBondContact O-N 3.44Å; L422-W425 HydrophobicContact CD2-CE3 4.36Å; L422-W425 PolarHBondContact O-N 3.42Å; Q423-W425 VanDerWaalsContact C-N 3.26Å; Q423-W425 PolarHBondContact O-N 2.73Å; W425-Q428 PolarHBondContact O-N 3.31Å; W425-L429 HydrophobicContact CD2-CD1 4.27Å; W425-L429 HydrophobicContact CE3-CD1 4.45Å; W425-L429 HydrophobicContact CH2-CD1 3.79Å; W425-L429 HydrophobicContact CZ2-CD1 3.6Å; W425-L429 HydrophobicContact CZ2-CD2 4.47Å; W425-L429 HydrophobicContact CZ2-CG 4.33Å; W425-L429 HydrophobicContact CZ3-CD1 4.24Å; W425-L429 WeakPolarHBondContact O-CG 3.32Å; W425-L429 PolarHBondContact O-N 3.26Å; W425-L429 VanDerWaalsContact O-N 3.13Å
426S93.6Very high91.2Very high0 Ų054.6 Ų54.60%026%0.26CS..Hα-helixtrans-66.9-38.4177.5-52.60000111.6P229 L422 Q423 Q428 L429 Y430P229-S426 WeakPolarHBondContact CB-OG 3.28Å; P229-S426 WeakPolarHBondContact CD-OG 3.39Å; P229-S426 WeakPolarHBondContact CG-OG 3.46Å; P229-S426 WeakPolarHBondContact O-CB 3.45Å; P229-S426 PolarHBondContact O-OG 3.43Å; L422-S426 WeakPolarHBondContact O-CB 3.49Å; L422-S426 PolarHBondContact O-N 2.84Å; L422-S426 PolarHBondContact O-OG 2.76Å; Q423-S426 CarbonylContact O-C 3.51Å; Q423-S426 WeakPolarHBondContact O-CA 3.26Å; Q423-S426 WeakPolarHBondContact O-CB 3.29Å; Q423-S426 PolarHBondContact O-N 3.38Å; S426-Q428 VanDerWaalsContact C-N 3.35Å; S426-L429 WeakPolarHBondContact O-CB 3.46Å; S426-L429 PolarHBondContact O-N 3.41Å; S426-Y430 PolarHBondContact O-N 2.91Å
427D92.3Very high91.5Very high11 Ų1159.6 Ų59.66%0.05928%0.282CS..Hα-helixtrans-64.1-42175.9-61.8-20.6000110.3H164 R188 Q423 E424 L429 Y430 E431H164-D427 IonicContact NE2-OD2 3.34Å; R188-D427 IonicContact CZ-OD1 2.81Å; R188-D427 VanDerWaalsContact CZ-OD1 3.27Å; R188-D427 IonicContact CZ-OD2 3.19Å; R188-D427 IonicContact NE-OD1 2.9Å; R188-D427 PolarHBondContact NE-OD1 3.32Å; R188-D427 VanDerWaalsContact NE-OD1 3.09Å; R188-D427 IonicContact NE-OD2 2.8Å; R188-D427 IonicContact NH1-OD2 2.8Å; R188-D427 IonicContact NH2-OD1 2.82Å; R188-D427 PolarHBondContact NH2-OD1 3.18Å; Q423-D427 PolarHBondContact NE2-OD1 2.66Å; Q423-D427 PolarHBondContact O-N 2.88Å; E424-D427 PolarHBondContact O-N 2.88Å; D427-L429 VanDerWaalsContact C-N 3.33Å; D427-L429 PolarHBondContact O-N 2.88Å; D427-Y430 WeakPolarHBondContact O-CB 3.4Å; D427-Y430 PolarHBondContact O-N 2.89Å; D427-Y430 VanDerWaalsContact O-N 3.15Å; D427-E431 WeakPolarHBondContact O-CG 3.43Å; D427-E431 PolarHBondContact O-N 3.41Å
428Q92.4Very high91.5Very high91 Ų9165 Ų6543%0.42530%0.302SS..Hα-helixtrans-60.9-39.6173.8-174.163.375.100112.7E424 W425 S426 Y430 D432E424-Q428 PolarHBondContact O-N 2.94Å; E424-Q428 VanDerWaalsContact O-N 3.11Å; W425-Q428 PolarHBondContact O-N 3.31Å; S426-Q428 VanDerWaalsContact C-N 3.35Å; Q428-Y430 VanDerWaalsContact C-N 3.32Å; Q428-D432 PolarHBondContact NE2-OD1 2.9Å; Q428-D432 VanDerWaalsContact NE2-OD1 3.16Å; Q428-D432 VanDerWaalsContact O-CB 3.29Å; Q428-D432 WeakPolarHBondContact O-CB 3.29Å; Q428-D432 PolarHBondContact O-N 2.81Å
429L92.3Very high91.3Very high20 Ų2062.5 Ų62.511%0.10530%0.298CS..Hα-helixtrans-65.1-38.3175.7-68.2176.5000111.8F226 I228 W425 S426 D427 F433F226-L429 HydrophobicContact CD1-CD2 3.85Å; F226-L429 HydrophobicContact CE1-CD2 4.27Å; F226-L429 HydrophobicContact CG-CD2 4.39Å; I228-L429 HydrophobicContact CD1-CB 4.48Å; I228-L429 HydrophobicContact CG1-CB 4.08Å; W425-L429 HydrophobicContact CD2-CD1 4.27Å; W425-L429 HydrophobicContact CE3-CD1 4.45Å; W425-L429 HydrophobicContact CH2-CD1 3.79Å; W425-L429 HydrophobicContact CZ2-CD1 3.6Å; W425-L429 HydrophobicContact CZ2-CD2 4.47Å; W425-L429 HydrophobicContact CZ2-CG 4.33Å; W425-L429 HydrophobicContact CZ3-CD1 4.24Å; W425-L429 WeakPolarHBondContact O-CG 3.32Å; W425-L429 PolarHBondContact O-N 3.26Å; W425-L429 VanDerWaalsContact O-N 3.13Å; S426-L429 WeakPolarHBondContact O-CB 3.46Å; S426-L429 PolarHBondContact O-N 3.41Å; D427-L429 VanDerWaalsContact C-N 3.33Å; D427-L429 PolarHBondContact O-N 2.88Å; L429-F433 PolarHBondContact O-N 3.07Å
430Y92.4Very high90.9Very high37 Ų3767 Ų6715%0.14533%0.328CS..Hα-helixtrans-67.1-46.3177.1-170.3-95.2000111.5W194 I228 S426 D427 Q428 D432 F433 E434W194-Y430 AromaticContact CD1-CE2 3.86Å; W194-Y430 AromaticContact CD1-CZ 3.79Å; W194-Y430 VanDerWaalsContact CD1-OH 3.24Å; W194-Y430 AromaticContact CD2-CE2 3.79Å; W194-Y430 HydrophobicContact CD2-CE2 3.79Å; W194-Y430 AromaticContact CE2-CD2 3.95Å; W194-Y430 AromaticContact CE2-CE2 3.33Å; W194-Y430 HydrophobicContact CE3-CE2 4.43Å; W194-Y430 HydrophobicContact CG-CE2 4.11Å; W194-Y430 HydrophobicContact CH2-CD2 4.39Å; W194-Y430 HydrophobicContact CH2-CE2 4.31Å; W194-Y430 AromaticContact CZ2-CD2 3.78Å; W194-Y430 HydrophobicContact CZ2-CD2 3.78Å; W194-Y430 AromaticContact CZ2-CE2 3.64Å; W194-Y430 HydrophobicContact CZ2-CE2 3.64Å; W194-Y430 AromaticContact NE1-CE2 3.35Å; W194-Y430 AromaticContact NE1-CZ 3.62Å; I228-Y430 HydrophobicContact CD1-CD2 3.81Å; I228-Y430 HydrophobicContact CD1-CG 4.4Å; S426-Y430 PolarHBondContact O-N 2.91Å; D427-Y430 WeakPolarHBondContact O-CB 3.4Å; D427-Y430 PolarHBondContact O-N 2.89Å; D427-Y430 VanDerWaalsContact O-N 3.15Å; Q428-Y430 VanDerWaalsContact C-N 3.32Å; Y430-D432 VanDerWaalsContact C-N 3.32Å; Y430-D432 PolarHBondContact O-N 2.8Å; Y430-F433 WeakPolarHBondContact O-CB 3.36Å; Y430-F433 PolarHBondContact O-N 2.81Å; Y430-F433 VanDerWaalsContact O-N 3.16Å; Y430-E434 HydrophobicContact CD1-CG 4.09Å; Y430-E434 HydrophobicContact CE1-CG 3.78Å; Y430-E434 WeakPolarHBondContact CE1-OE2 3.35Å; Y430-E434 PolarHBondContact O-N 3.23Å
431E92.5Very high90.5Very high99 Ų9974.5 Ų74.546%0.46336%0.362SS..Hα-helixtrans-61.6-40.4175.1-71.8175.2-173.600111.9D427 F433 E434 W435D427-E431 WeakPolarHBondContact O-CG 3.43Å; D427-E431 PolarHBondContact O-N 3.41Å; E431-F433 VanDerWaalsContact C-N 3.3Å; E431-F433 PolarHBondContact O-N 3.31Å; E431-E434 PolarHBondContact O-N 3.05Å; E431-W435 WeakPolarHBondContact O-CB 3.18Å; E431-W435 PolarHBondContact O-N 3.11Å
432D92.7Very high89.9Confident29 Ų2975.1 Ų75.116%0.15536%0.356CS..Hα-helixtrans-60.5-41.7174.8-81.6-6.5000111.2F226 Q428 Y430 W435 G436 K437F226-D432 HydrophobicContact CE2-CB 4.24Å; F226-D432 HydrophobicContact CZ-CB 4.07Å; Q428-D432 PolarHBondContact NE2-OD1 2.9Å; Q428-D432 VanDerWaalsContact NE2-OD1 3.16Å; Q428-D432 VanDerWaalsContact O-CB 3.29Å; Q428-D432 WeakPolarHBondContact O-CB 3.29Å; Q428-D432 PolarHBondContact O-N 2.81Å; Y430-D432 VanDerWaalsContact C-N 3.32Å; Y430-D432 PolarHBondContact O-N 2.8Å; D432-W435 PolarHBondContact O-N 3.35Å; D432-G436 PolarHBondContact O-N 3.49Å; D432-K437 HydrophobicContact CB-CB 4.15Å; D432-K437 HydrophobicContact CB-CD 4.05Å; D432-K437 WeakPolarHBondContact O-CA 3.21Å; D432-K437 VanDerWaalsContact O-CB 3.27Å; D432-K437 WeakPolarHBondContact O-CB 3.39Å; D432-K437 PolarHBondContact O-N 3.07Å; D432-K437 WeakPolarHBondContact OD1-CD 3.34Å; D432-K437 WeakPolarHBondContact OD1-CE 3.22Å; D432-K437 IonicContact OD1-NZ 3.63Å; D432-K437 PolarHBondContact OD1-NZ 2.91Å; D432-K437 IonicContact OD2-NZ 2.72Å
433F92.5Very high89.4Confident61 Ų6182.9 Ų82.927%0.26839%0.385SS..Hα-helixtrans-61.7-48.6172.7165.5-101.3000112.2R224 F226 L429 Y430 E431 W435 G436R224-F433 HydrophobicContact CG-CD1 3.77Å; R224-F433 HydrophobicContact CG-CD2 4.43Å; R224-F433 HydrophobicContact CG-CE1 3.56Å; R224-F433 HydrophobicContact CG-CE2 4.23Å; R224-F433 HydrophobicContact CG-CG 4.2Å; R224-F433 HydrophobicContact CG-CZ 3.8Å; R224-F433 WeakPolarHBondContact O-CD2 3.31Å; R224-F433 WeakPolarHBondContact O-CG 2.99Å; F226-F433 HydrophobicContact CD2-CB 3.92Å; F226-F433 HydrophobicContact CE2-CB 4.04Å; L429-F433 PolarHBondContact O-N 3.07Å; Y430-F433 WeakPolarHBondContact O-CB 3.36Å; Y430-F433 PolarHBondContact O-N 2.81Å; Y430-F433 VanDerWaalsContact O-N 3.16Å; E431-F433 VanDerWaalsContact C-N 3.3Å; E431-F433 PolarHBondContact O-N 3.31Å; F433-W435 VanDerWaalsContact C-N 3.26Å; F433-W435 PolarHBondContact O-N 2.91Å; F433-G436 WeakPolarHBondContact O-CA 3.32Å; F433-G436 PolarHBondContact O-N 3.4Å
434E91.3Very high88.9Confident131 Ų13189 Ų8961%0.61242%0.417SS*.Hα-helixtrans-62.9-34.4179.6-70.9-163.6121.700112.2Y430 E431 G436Y430-E434 HydrophobicContact CD1-CG 4.09Å; Y430-E434 HydrophobicContact CE1-CG 3.78Å; Y430-E434 WeakPolarHBondContact CE1-OE2 3.35Å; Y430-E434 PolarHBondContact O-N 3.23Å; E431-E434 PolarHBondContact O-N 3.05Å; E434-G436 PolarHBondContact O-N 3.42Å
435W93.8Very high88.5Confident217 Ų21790.3 Ų90.382%0.82242%0.424SS*.THydrogen-bonded Turntrans-72.5-4.6173.1-162.2-93.2000113.4E431 D432 F433 K437E431-W435 WeakPolarHBondContact O-CB 3.18Å; E431-W435 PolarHBondContact O-N 3.11Å; D432-W435 PolarHBondContact O-N 3.35Å; F433-W435 VanDerWaalsContact C-N 3.26Å; F433-W435 PolarHBondContact O-N 2.91Å; W435-K437 VanDerWaalsContact C-N 3.3Å; W435-K437 PolarHBondContact O-N 2.87Å
436G92Very high87.9Confident57 Ų5790.1 Ų90.159%0.58843%0.425SS*.THydrogen-bonded Turntrans75.216-177.900000113.9D432 F433 E434D432-G436 PolarHBondContact O-N 3.49Å; F433-G436 WeakPolarHBondContact O-CA 3.32Å; F433-G436 PolarHBondContact O-N 3.4Å; E434-G436 PolarHBondContact O-N 3.42Å
437K91.4Very high87.4Confident106 Ų10691.9 Ų91.946%0.46144%0.436SS..PPolyproline II helixtrans-65.2138.2169.8-66.2-173.2-169.1158.60109F226 D432 W435F226-K437 WeakPolarHBondContact CE2-O 3.33Å; D432-K437 HydrophobicContact CB-CB 4.15Å; D432-K437 HydrophobicContact CB-CD 4.05Å; D432-K437 WeakPolarHBondContact O-CA 3.21Å; D432-K437 VanDerWaalsContact O-CB 3.27Å; D432-K437 WeakPolarHBondContact O-CB 3.39Å; D432-K437 PolarHBondContact O-N 3.07Å; D432-K437 WeakPolarHBondContact OD1-CD 3.34Å; D432-K437 WeakPolarHBondContact OD1-CE 3.22Å; D432-K437 IonicContact OD1-NZ 3.63Å; D432-K437 PolarHBondContact OD1-NZ 2.91Å; D432-K437 IonicContact OD2-NZ 2.72Å; W435-K437 VanDerWaalsContact C-N 3.3Å; W435-K437 PolarHBondContact O-N 2.87Å
438K85.4Confident87.1Confident185 Ų18595.7 Ų95.780%0.80445%0.453SS*.PPolyproline II helixtrans-86.9148.3174.4-66-173.5179.7-177.20109.9
439P83.7Confident86.8Confident42 Ų4292.1 Ų92.127%0.27344%0.439SS..PPolyproline II helixtrans-57.715617225-35.2000111.7G225 F226 L393 K441G225-P439 WeakPolarHBondContact O-CG 3.36Å; F226-P439 HydrophobicContact CD1-CB 3.87Å; F226-P439 VanDerWaalsContact CE1-CA 3.42Å; F226-P439 HydrophobicContact CE1-CB 3.82Å; F226-P439 HydrophobicContact CZ-CB 4.37Å; L393-P439 HydrophobicContact CD1-CB 3.53Å; L393-P439 HydrophobicContact CD1-CG 3.97Å; L393-P439 HydrophobicContact CD2-CB 3.78Å; L393-P439 HydrophobicContact CG-CB 4.3Å; P439-K441 PolarHBondContact O-N 3.41Å
440P81.4Confident86.5Confident96 Ų9691.4 Ų91.462%0.62344%0.435SS*.PPolyproline II helixtrans-50.2138.2174.9-25.433.1000111.1R442P440-R442 PolarHBondContact O-N 3.47Å
441K80.8Confident86.3Confident203 Ų20396.1 Ų96.188%0.88346%0.456SS*.PPolyproline II helixtrans-59.4133.2175.7-70.7-173.1-179.3-179.70109.2P439P439-K441 PolarHBondContact O-N 3.41Å
442R78.3Confident86.3Confident49 Ų4996.5 Ų96.519%0.18545%0.453CS..PPolyproline II helixtrans-57.5145.2171.6-69.9-173.462.5-160.7-0.3110.6E392 P440 L444 V447 D450E392-R442 HydrophobicContact CB-CG 4.47Å; E392-R442 WeakPolarHBondContact OE1-CB 3.31Å; E392-R442 IonicContact OE1-CZ 2.89Å; E392-R442 IonicContact OE1-NE 3.84Å; E392-R442 PolarHBondContact OE1-NE 3.05Å; E392-R442 IonicContact OE1-NH2 3.51Å; E392-R442 WeakPolarHBondContact OE2-CA 3.43Å; P440-R442 PolarHBondContact O-N 3.47Å; R442-L444 PolarHBondContact O-N 2.73Å; R442-V447 HydrophobicContact CB-CG2 3.63Å; R442-D450 IonicContact CZ-OD2 3.06Å; R442-D450 IonicContact NH1-OD2 3.98Å; R442-D450 PolarHBondContact NH1-OD2 3.37Å; R442-D450 IonicContact NH2-OD2 3.84Å; R442-D450 PolarHBondContact NH2-OD2 2.98Å
443R80.6Confident86.2Confident162 Ų16295.2 Ų95.261%0.61145%0.447SS*.PPolyproline II helixtrans-63.8132.7176.7-56.9-175.3-177.7176.3-3.4109.1E392 Q445 F446 V447E392-R443 PolarHBondContact OE2-N 3.04Å; R443-Q445 HydrophobicContact CB-CG 4.19Å; R443-Q445 PolarHBondContact O-N 3.33Å; R443-Q445 VanDerWaalsContact O-N 3.13Å; R443-F446 HydrophobicContact CB-CD2 3.82Å; R443-F446 HydrophobicContact CB-CE2 4.28Å; R443-F446 HydrophobicContact CG-CD2 4.34Å; R443-F446 HydrophobicContact CG-CE2 4.43Å; R443-F446 PolarHBondContact O-N 3.39Å; R443-V447 PolarHBondContact O-N 3.47Å
444L83.5Confident86.2Confident129 Ų12993.7 Ų93.768%0.67544%0.44SS*.Hα-helixtrans-50.5-42-176.9-103.5127.2000112.7R442 F446 V447 E448R442-L444 PolarHBondContact O-N 2.73Å; L444-F446 VanDerWaalsContact C-N 3.26Å; L444-F446 PolarHBondContact O-N 3.36Å; L444-V447 PolarHBondContact O-N 3.47Å; L444-V447 VanDerWaalsContact O-N 3.15Å; L444-E448 WeakPolarHBondContact O-CG 3.19Å; L444-E448 PolarHBondContact O-N 3.19Å
445Q81.9Confident86.3Confident102 Ų10292.9 Ų92.948%0.47744%0.437SS..Hα-helixtrans-54.7-38.9179.171.8-176.623.800113.7R443 A449R443-Q445 HydrophobicContact CB-CG 4.19Å; R443-Q445 PolarHBondContact O-N 3.33Å; R443-Q445 VanDerWaalsContact O-N 3.13Å; Q445-A449 WeakPolarHBondContact O-CB 3.34Å; Q445-A449 PolarHBondContact O-N 3.28Å
446F80.4Confident86.3Confident66 Ų6684.1 Ų84.129%0.28941%0.406SS..Hα-helixtrans-79.9-35.2-178.4-65.2-54.1000111.1E392 R443 L444 E448 A449 D450E392-F446 VanDerWaalsContact CD-CD2 3.48Å; E392-F446 HydrophobicContact CG-CD2 4.1Å; E392-F446 VanDerWaalsContact OE1-CB 3.24Å; E392-F446 WeakPolarHBondContact OE1-CB 3.44Å; E392-F446 VanDerWaalsContact OE1-CD2 3.26Å; E392-F446 WeakPolarHBondContact OE1-CD2 3.32Å; R443-F446 HydrophobicContact CB-CD2 3.82Å; R443-F446 HydrophobicContact CB-CE2 4.28Å; R443-F446 HydrophobicContact CG-CD2 4.34Å; R443-F446 HydrophobicContact CG-CE2 4.43Å; R443-F446 PolarHBondContact O-N 3.39Å; L444-F446 VanDerWaalsContact C-N 3.26Å; L444-F446 PolarHBondContact O-N 3.36Å; F446-E448 VanDerWaalsContact C-N 3.33Å; F446-A449 PolarHBondContact O-N 3.33Å; F446-D450 WeakPolarHBondContact O-CB 3.33Å; F446-D450 PolarHBondContact O-N 3.47Å
447V82.9Confident86.4Confident37 Ų3781.4 Ų81.422%0.22438%0.378CS..Hα-helixtrans-63.5-42.1173.3177.30000110.6R442 R443 L444 K451R442-V447 HydrophobicContact CB-CG2 3.63Å; R443-V447 PolarHBondContact O-N 3.47Å; L444-V447 PolarHBondContact O-N 3.47Å; L444-V447 VanDerWaalsContact O-N 3.15Å; V447-K451 WeakPolarHBondContact O-CG 3.39Å; V447-K451 PolarHBondContact O-N 2.93Å
448E87.2Confident86.5Confident91 Ų9182.9 Ų82.943%0.42538%0.384SS..Hα-helixtrans-69.3-39.1176.5-71.1175.7-173.500112.4L444 F446 K451 R452L444-E448 WeakPolarHBondContact O-CG 3.19Å; L444-E448 PolarHBondContact O-N 3.19Å; F446-E448 VanDerWaalsContact C-N 3.33Å; E448-K451 PolarHBondContact O-N 3.13Å; E448-R452 WeakPolarHBondContact O-CG 3.39Å; E448-R452 PolarHBondContact O-N 3.29Å
449A85.9Confident86.9Confident15 Ų1579.9 Ų79.912%0.12437%0.373CS..Hα-helixtrans-60.8-48.6173.200000111.4Q445 F446 K451 R452 I453Q445-A449 WeakPolarHBondContact O-CB 3.34Å; Q445-A449 PolarHBondContact O-N 3.28Å; F446-A449 PolarHBondContact O-N 3.33Å; A449-K451 VanDerWaalsContact C-N 3.3Å; A449-K451 PolarHBondContact O-N 2.89Å; A449-R452 PolarHBondContact O-N 3.11Å; A449-R452 VanDerWaalsContact O-N 3.15Å; A449-I453 VanDerWaalsContact O-CG1 3.3Å; A449-I453 WeakPolarHBondContact O-CG1 3.42Å; A449-I453 PolarHBondContact O-N 3.01Å
450D85.8Confident87.5Confident6 Ų679.6 Ų79.63%0.03237%0.367CS..Hα-helixtrans-57.3-43.6175.8-75.2-8.2000111Y388 R442 F446 R452 I453 Q454Y388-D450 HydrophobicContact CD1-CB 4.47Å; Y388-D450 WeakPolarHBondContact CD1-OD2 3.16Å; R442-D450 IonicContact CZ-OD2 3.06Å; R442-D450 IonicContact NH1-OD2 3.98Å; R442-D450 PolarHBondContact NH1-OD2 3.37Å; R442-D450 IonicContact NH2-OD2 3.84Å; R442-D450 PolarHBondContact NH2-OD2 2.98Å; F446-D450 WeakPolarHBondContact O-CB 3.33Å; F446-D450 PolarHBondContact O-N 3.47Å; D450-R452 PolarHBondContact O-N 2.94Å; D450-I453 PolarHBondContact O-N 3.05Å; D450-Q454 WeakPolarHBondContact O-CB 3.46Å; D450-Q454 WeakPolarHBondContact O-CG 3.28Å; D450-Q454 PolarHBondContact O-N 2.89Å
451K88.9Confident88.1Confident135 Ų13578.2 Ų78.259%0.58736%0.355SS*.Hα-helixtrans-60-44176.3-75.8175-179.6-178.80112.7V447 E448 A449 Q454 Q455V447-K451 WeakPolarHBondContact O-CG 3.39Å; V447-K451 PolarHBondContact O-N 2.93Å; E448-K451 PolarHBondContact O-N 3.13Å; A449-K451 VanDerWaalsContact C-N 3.3Å; A449-K451 PolarHBondContact O-N 2.89Å; K451-Q454 PolarHBondContact O-N 2.95Å; K451-Q455 WeakPolarHBondContact O-CB 3.26Å; K451-Q455 PolarHBondContact O-N 2.89Å
452R90.9Very high88.6Confident107 Ų10771.3 Ų71.340%0.40433%0.332SS..Hα-helixtrans-64.1-43.7176.5-71-173.2-62.6-92.80.1111.3E448 A449 D450 Q455 L456 N475E448-R452 WeakPolarHBondContact O-CG 3.39Å; E448-R452 PolarHBondContact O-N 3.29Å; A449-R452 PolarHBondContact O-N 3.11Å; A449-R452 VanDerWaalsContact O-N 3.15Å; D450-R452 PolarHBondContact O-N 2.94Å; R452-Q455 PolarHBondContact O-N 3.15Å; R452-L456 WeakPolarHBondContact O-CG 3.31Å; R452-L456 PolarHBondContact O-N 3.33Å; R452-N475 WeakPolarHBondContact CB-OD1 3.2Å; R452-N475 WeakPolarHBondContact CD-OD1 3.45Å; R452-N475 PolarHBondContact NE-OD1 2.83Å; R452-N475 VanDerWaalsContact NE-OD1 3.1Å
453I91.2Very high89.4Confident2 Ų274.5 Ų74.51%0.0135%0.353CS..Hα-helixtrans-59.9-48.8175.9-70.1168.9000110.6F325 M383 L389 A449 D450 Q455 L456 V457 M472 N475 F476F325-I453 HydrophobicContact CD1-CG2 3.65Å; F325-I453 HydrophobicContact CE1-CG2 3.49Å; F325-I453 VanDerWaalsContact CE1-CG2 3.49Å; F325-I453 HydrophobicContact CZ-CG2 4.42Å; M383-I453 HydrophobicContact CG-CG2 3.96Å; M383-I453 HydrophobicContact SD-CG2 3.89Å; L389-I453 HydrophobicContact CD2-CD1 4.14Å; A449-I453 VanDerWaalsContact O-CG1 3.3Å; A449-I453 WeakPolarHBondContact O-CG1 3.42Å; A449-I453 PolarHBondContact O-N 3.01Å; D450-I453 PolarHBondContact O-N 3.05Å; I453-Q455 VanDerWaalsContact C-N 3.28Å; I453-Q455 PolarHBondContact O-N 3.06Å; I453-L456 PolarHBondContact O-N 2.93Å; I453-V457 HydrophobicContact CG2-CG2 4.38Å; I453-V457 WeakPolarHBondContact O-CB 3.37Å; I453-V457 VanDerWaalsContact O-CG2 3.32Å; I453-V457 WeakPolarHBondContact O-CG2 3.47Å; I453-V457 PolarHBondContact O-N 3.11Å; I453-M472 HydrophobicContact CB-SD 4.22Å; I453-M472 HydrophobicContact CG1-SD 3.97Å; I453-M472 HydrophobicContact CG2-CE 4.41Å; I453-M472 HydrophobicContact CG2-SD 3.87Å; I453-N475 HydrophobicContact CG1-CB 4.08Å; I453-F476 HydrophobicContact CD1-CB 4.12Å
454Q92.3Very high90.1Very high30 Ų3073.2 Ų73.214%0.1435%0.348CS..Hα-helixtrans-60.1-38.2177.6-71.5178.22.500112M383 G386 E387 D450 K451 K458M383-Q454 HydrophobicContact CB-CG 4.47Å; M383-Q454 WeakPolarHBondContact O-CG 3.47Å; M383-Q454 HydrophobicContact SD-CG 4.39Å; G386-Q454 VanDerWaalsContact C-NE2 3.34Å; G386-Q454 PolarHBondContact O-NE2 3.28Å; E387-Q454 PolarHBondContact O-NE2 3.25Å; D450-Q454 WeakPolarHBondContact O-CB 3.46Å; D450-Q454 WeakPolarHBondContact O-CG 3.28Å; D450-Q454 PolarHBondContact O-N 2.89Å; K451-Q454 PolarHBondContact O-N 2.95Å; Q454-K458 VanDerWaalsContact O-CG 3.32Å; Q454-K458 WeakPolarHBondContact O-CG 3.09Å; Q454-K458 PolarHBondContact O-N 3.49Å
455Q93.3Very high90.7Very high114 Ų11467.1 Ų67.153%0.53332%0.316SS..Hα-helixtrans-66.7-44.4175.4-175.6172.90.800111.9K451 R452 I453 K458 Q459K451-Q455 WeakPolarHBondContact O-CB 3.26Å; K451-Q455 PolarHBondContact O-N 2.89Å; R452-Q455 PolarHBondContact O-N 3.15Å; I453-Q455 VanDerWaalsContact C-N 3.28Å; I453-Q455 PolarHBondContact O-N 3.06Å; Q455-K458 PolarHBondContact O-N 2.82Å; Q455-Q459 WeakPolarHBondContact O-CG 3.39Å; Q455-Q459 PolarHBondContact O-N 3.03Å
456L94.2Very high91.3Very high32 Ų3262.8 Ų62.817%0.16830%0.297CS..Hα-helixtrans-62.3-44.5177.1-74.3172000111.7R452 I453 K458 Q459 F460 F468 M472 N475R452-L456 WeakPolarHBondContact O-CG 3.31Å; R452-L456 PolarHBondContact O-N 3.33Å; I453-L456 PolarHBondContact O-N 2.93Å; L456-K458 VanDerWaalsContact C-N 3.26Å; L456-K458 PolarHBondContact O-N 3.44Å; L456-Q459 CarbonylContact O-C 3.55Å; L456-Q459 WeakPolarHBondContact O-CA 3.21Å; L456-Q459 PolarHBondContact O-N 3.37Å; L456-F460 PolarHBondContact O-N 2.99Å; L456-F468 HydrophobicContact CB-CE2 4.47Å; L456-F468 WeakPolarHBondContact O-CE2 3.44Å; L456-M472 HydrophobicContact CB-CE 3.5Å; L456-M472 HydrophobicContact CB-SD 4.5Å; L456-M472 HydrophobicContact CD1-CE 4.19Å; L456-M472 HydrophobicContact CD1-SD 4.23Å; L456-N475 HydrophobicContact CD1-CB 4.25Å; L456-N475 WeakPolarHBondContact CD1-ND2 3.42Å
457V94.4Very high92.1Very high0 Ų063.4 Ų63.40%030%0.3CS..Hα-helixtrans-55.4-41.2176.5162.40000111.7F325 Y380 M383 L384 I453 Q459 F460 M472F325-V457 HydrophobicContact CB-CG2 4.15Å; F325-V457 HydrophobicContact CD1-CG2 4.27Å; Y380-V457 HydrophobicContact CD2-CG1 3.66Å; Y380-V457 HydrophobicContact CD2-CG2 4.49Å; Y380-V457 HydrophobicContact CE2-CB 4.38Å; Y380-V457 HydrophobicContact CE2-CG1 3.49Å; Y380-V457 VanDerWaalsContact CE2-CG1 3.49Å; Y380-V457 HydrophobicContact CG-CG1 4.46Å; Y380-V457 PolarHBondContact OH-O 3.21Å; M383-V457 HydrophobicContact CB-CB 4.23Å; M383-V457 HydrophobicContact CB-CG1 3.98Å; M383-V457 HydrophobicContact CB-CG2 3.85Å; M383-V457 HydrophobicContact CG-CG2 4.23Å; L384-V457 HydrophobicContact CD2-CG1 3.81Å; L384-V457 HydrophobicContact CG-CG1 3.7Å; I453-V457 HydrophobicContact CG2-CG2 4.38Å; I453-V457 WeakPolarHBondContact O-CB 3.37Å; I453-V457 VanDerWaalsContact O-CG2 3.32Å; I453-V457 WeakPolarHBondContact O-CG2 3.47Å; I453-V457 PolarHBondContact O-N 3.11Å; V457-Q459 PolarHBondContact O-N 3.38Å; V457-F460 WeakPolarHBondContact O-CB 3.45Å; V457-F460 PolarHBondContact O-N 3.28Å; V457-M472 HydrophobicContact CG2-CE 3.79Å
458K94.4Very high92.7Very high137 Ų13762.4 Ų62.460%0.59629%0.293SS*.Hα-helixtrans-68.7-19.3176.3-71.2171.9-176.7-179.30113.9L384 Q454 Q455 L456L384-K458 HydrophobicContact CD2-CG 3.84Å; Q454-K458 VanDerWaalsContact O-CG 3.32Å; Q454-K458 WeakPolarHBondContact O-CG 3.09Å; Q454-K458 PolarHBondContact O-N 3.49Å; Q455-K458 PolarHBondContact O-N 2.82Å; L456-K458 VanDerWaalsContact C-N 3.26Å; L456-K458 PolarHBondContact O-N 3.44Å
459Q93.7Very high93.2Very high122 Ų12258.1 Ų58.157%0.5727%0.273SS*.THydrogen-bonded Turntrans-102.514.6-179.8-65.4175.5-9.700111.9Q455 L456 V457 D461Q455-Q459 WeakPolarHBondContact O-CG 3.39Å; Q455-Q459 PolarHBondContact O-N 3.03Å; L456-Q459 CarbonylContact O-C 3.55Å; L456-Q459 WeakPolarHBondContact O-CA 3.21Å; L456-Q459 PolarHBondContact O-N 3.37Å; V457-Q459 PolarHBondContact O-N 3.38Å; Q459-D461 PolarHBondContact O-N 2.89Å
460F95.8Very high93.6Very high36 Ų3662.7 Ų62.716%0.15829%0.287CS..  trans-58125.4178.6178.4-97000110.8V326 P327 A330 Y380 L456 V457 F468V326-F460 HydrophobicContact CB-CE2 4.5Å; V326-F460 HydrophobicContact CG1-CE2 3.86Å; V326-F460 HydrophobicContact CG1-CZ 3.87Å; V326-F460 HydrophobicContact CG2-CE2 4.32Å; P327-F460 HydrophobicContact CG-CD1 3.44Å; P327-F460 VanDerWaalsContact CG-CD1 3.44Å; P327-F460 HydrophobicContact CG-CE1 3.55Å; P327-F460 HydrophobicContact CG-CG 4Å; P327-F460 HydrophobicContact CG-CZ 4.21Å; A330-F460 HydrophobicContact CB-CE1 3.75Å; A330-F460 HydrophobicContact CB-CZ 3.59Å; Y380-F460 HydrophobicContact CE2-CB 4.25Å; L456-F460 PolarHBondContact O-N 2.99Å; V457-F460 WeakPolarHBondContact O-CB 3.45Å; V457-F460 PolarHBondContact O-N 3.28Å; F460-F468 HydrophobicContact CB-CD2 4.37Å; F460-F468 HydrophobicContact CB-CE2 4.18Å; F460-F468 HydrophobicContact CD2-CB 4.3Å; F460-F468 AromaticContact CD2-CD1 3.72Å; F460-F468 HydrophobicContact CD2-CD1 3.72Å; F460-F468 AromaticContact CD2-CD2 3.77Å; F460-F468 HydrophobicContact CD2-CD2 3.77Å; F460-F468 AromaticContact CD2-CE1 3.91Å; F460-F468 HydrophobicContact CD2-CE1 3.91Å; F460-F468 AromaticContact CD2-CE2 3.93Å; F460-F468 HydrophobicContact CD2-CE2 3.93Å; F460-F468 AromaticContact CD2-CG 3.64Å; F460-F468 HydrophobicContact CD2-CG 3.64Å; F460-F468 AromaticContact CD2-CZ 4Å; F460-F468 HydrophobicContact CD2-CZ 4Å; F460-F468 HydrophobicContact CE2-CB 4.49Å; F460-F468 AromaticContact CE2-CD1 3.94Å; F460-F468 HydrophobicContact CE2-CD1 3.94Å; F460-F468 HydrophobicContact CE2-CE1 4.34Å; F460-F468 HydrophobicContact CE2-CG 4.11Å
461D93.8Very high94.1Very high67 Ų6765.1 Ų65.136%0.35830%0.304SS..  trans-116.4116.5175.7176.72.8000108.6Q459 D463 R464Q459-D461 PolarHBondContact O-N 2.89Å; D461-D463 PolarHBondContact O-N 2.93Å; D461-D463 VanDerWaalsContact O-N 3.17Å; D461-D463 WeakPolarHBondContact OD1-CB 3.33Å; D461-D463 PolarHBondContact OD1-N 3.46Å; D461-R464 PolarHBondContact O-N 2.92Å; D461-R464 VanDerWaalsContact O-N 3.15Å
462S92.1Very high94.3Very high59 Ų5958.7 Ų58.741%0.41328%0.276SS..THydrogen-bonded Turntrans-63.3-18.8-179.354.60000113.4K333K333-S462 VanDerWaalsContact CE-O 3.3Å; K333-S462 WeakPolarHBondContact CE-O 3.1Å; K333-S462 PolarHBondContact NZ-O 3.2Å
463D94.5Very high94.4Very high116 Ų11653.6 Ų53.662%0.6226%0.257SS*.THydrogen-bonded Turntrans-87.4-13.6179.6-66.4-29.1000113.2K333 D461K333-D463 IonicContact NZ-OD1 3.56Å; K333-D463 PolarHBondContact NZ-OD1 3.13Å; D461-D463 PolarHBondContact O-N 2.93Å; D461-D463 VanDerWaalsContact O-N 3.17Å; D461-D463 WeakPolarHBondContact OD1-CB 3.33Å; D461-D463 PolarHBondContact OD1-N 3.46Å
464R94.6Very high94.3Very high135 Ų13557.5 Ų57.551%0.50928%0.278SS..  trans-12948.9-179.5-56179.377-175.82.7112.5D461 V466 E467 F468D461-R464 PolarHBondContact O-N 2.92Å; D461-R464 VanDerWaalsContact O-N 3.15Å; R464-V466 VanDerWaalsContact C-N 3.33Å; R464-V466 PolarHBondContact O-N 3.44Å; R464-E467 HydrophobicContact CB-CB 4.41Å; R464-E467 VanDerWaalsContact CZ-CD 3.46Å; R464-E467 IonicContact CZ-OE1 3.42Å; R464-E467 VanDerWaalsContact CZ-OE1 3.32Å; R464-E467 IonicContact CZ-OE2 3.82Å; R464-E467 IonicContact NE-OE1 2.68Å; R464-E467 PolarHBondContact NE-OE1 3.36Å; R464-E467 IonicContact NE-OE2 2.73Å; R464-E467 PolarHBondContact NE-OE2 3.29Å; R464-E467 IonicContact NH1-OE2 3.22Å; R464-E467 IonicContact NH2-OE1 2.85Å; R464-E467 PolarHBondContact NH2-OE1 3.27Å; R464-E467 IonicContact NH2-OE2 3.67Å; R464-E467 PolarHBondContact NH2-OE2 3.03Å; R464-E467 PolarHBondContact O-N 3.37Å; R464-E467 VanDerWaalsContact O-N 3.17Å; R464-F468 PolarHBondContact O-N 3.03Å; R464-F468 VanDerWaalsContact O-N 3.16Å
465P95.8Very high94.1Very high1 Ų157.8 Ų57.81%0.00628%0.281CS..Hα-helixtrans-64.6-36.1-171.227-34.9000112.7A334 E467 F468 L469A334-P465 HydrophobicContact CB-CB 3.65Å; P465-E467 VanDerWaalsContact C-N 3.29Å; P465-E467 PolarHBondContact O-N 3.11Å; P465-F468 WeakPolarHBondContact O-CB 3.32Å; P465-F468 PolarHBondContact O-N 2.88Å; P465-L469 VanDerWaalsContact O-CG 3.3Å; P465-L469 WeakPolarHBondContact O-CG 3.45Å; P465-L469 PolarHBondContact O-N 3.43Å
466V96.2Very high93.3Very high10 Ų1053 Ų536%0.06126%0.258CS..Hα-helixtrans-65.8-34.3180-177.80000111.9M319 E337 F338 K341 R464 R470M319-V466 HydrophobicContact CE-CG1 3.85Å; M319-V466 WeakPolarHBondContact CE-O 3.43Å; E337-V466 HydrophobicContact CB-CG2 3.63Å; F338-V466 HydrophobicContact CB-CG2 4.33Å; K341-V466 HydrophobicContact CD-CG2 4.42Å; R464-V466 VanDerWaalsContact C-N 3.33Å; R464-V466 PolarHBondContact O-N 3.44Å; V466-R470 WeakPolarHBondContact O-CB 3.48Å; V466-R470 PolarHBondContact O-N 2.95Å
467E95.9Very high91.8Very high79 Ų7955.4 Ų55.437%0.36928%0.282SS..Hα-helixtrans-71.9-41.8176-63.5-179.3-165.800111.3R464 P465 L469 R470 S471R464-E467 HydrophobicContact CB-CB 4.41Å; R464-E467 VanDerWaalsContact CZ-CD 3.46Å; R464-E467 IonicContact CZ-OE1 3.42Å; R464-E467 VanDerWaalsContact CZ-OE1 3.32Å; R464-E467 IonicContact CZ-OE2 3.82Å; R464-E467 IonicContact NE-OE1 2.68Å; R464-E467 PolarHBondContact NE-OE1 3.36Å; R464-E467 IonicContact NE-OE2 2.73Å; R464-E467 PolarHBondContact NE-OE2 3.29Å; R464-E467 IonicContact NH1-OE2 3.22Å; R464-E467 IonicContact NH2-OE1 2.85Å; R464-E467 PolarHBondContact NH2-OE1 3.27Å; R464-E467 IonicContact NH2-OE2 3.67Å; R464-E467 PolarHBondContact NH2-OE2 3.03Å; R464-E467 PolarHBondContact O-N 3.37Å; R464-E467 VanDerWaalsContact O-N 3.17Å; P465-E467 VanDerWaalsContact C-N 3.29Å; P465-E467 PolarHBondContact O-N 3.11Å; E467-L469 VanDerWaalsContact C-N 3.34Å; E467-L469 PolarHBondContact O-N 3.48Å; E467-R470 WeakPolarHBondContact O-CB 3.47Å; E467-R470 PolarHBondContact O-N 3.19Å; E467-R470 VanDerWaalsContact O-N 3.16Å; E467-S471 PolarHBondContact O-N 3.42Å; E467-S471 PolarHBondContact O-OG 2.96Å
468F96.5Very high90.1Very high17 Ų1756 Ų568%0.07529%0.286CS..Hα-helixtrans-55.2-49.6171.2172.1-93.6000111.6F325 V326 L456 F460 R464 P465 R470 S471 M472F325-F468 HydrophobicContact CB-CE1 4.21Å; F325-F468 HydrophobicContact CB-CZ 4.07Å; F325-F468 VanDerWaalsContact O-CE1 3.27Å; F325-F468 WeakPolarHBondContact O-CE1 3.33Å; F325-F468 WeakPolarHBondContact O-CZ 3.25Å; V326-F468 HydrophobicContact CG2-CD1 4Å; V326-F468 HydrophobicContact CG2-CE1 3.75Å; L456-F468 HydrophobicContact CB-CE2 4.47Å; L456-F468 WeakPolarHBondContact O-CE2 3.44Å; F460-F468 HydrophobicContact CB-CD2 4.37Å; F460-F468 HydrophobicContact CB-CE2 4.18Å; F460-F468 HydrophobicContact CD2-CB 4.3Å; F460-F468 AromaticContact CD2-CD1 3.72Å; F460-F468 HydrophobicContact CD2-CD1 3.72Å; F460-F468 AromaticContact CD2-CD2 3.77Å; F460-F468 HydrophobicContact CD2-CD2 3.77Å; F460-F468 AromaticContact CD2-CE1 3.91Å; F460-F468 HydrophobicContact CD2-CE1 3.91Å; F460-F468 AromaticContact CD2-CE2 3.93Å; F460-F468 HydrophobicContact CD2-CE2 3.93Å; F460-F468 AromaticContact CD2-CG 3.64Å; F460-F468 HydrophobicContact CD2-CG 3.64Å; F460-F468 AromaticContact CD2-CZ 4Å; F460-F468 HydrophobicContact CD2-CZ 4Å; F460-F468 HydrophobicContact CE2-CB 4.49Å; F460-F468 AromaticContact CE2-CD1 3.94Å; F460-F468 HydrophobicContact CE2-CD1 3.94Å; F460-F468 HydrophobicContact CE2-CE1 4.34Å; F460-F468 HydrophobicContact CE2-CG 4.11Å; R464-F468 PolarHBondContact O-N 3.03Å; R464-F468 VanDerWaalsContact O-N 3.16Å; P465-F468 WeakPolarHBondContact O-CB 3.32Å; P465-F468 PolarHBondContact O-N 2.88Å; F468-R470 VanDerWaalsContact C-N 3.26Å; F468-R470 PolarHBondContact O-N 3.34Å; F468-S471 PolarHBondContact O-N 3.28Å; F468-M472 HydrophobicContact CE1-CE 4.2Å; F468-M472 HydrophobicContact CE2-CE 3.62Å; F468-M472 HydrophobicContact CZ-CE 3.35Å; F468-M472 VanDerWaalsContact O-CB 3.29Å; F468-M472 WeakPolarHBondContact O-CB 3.44Å; F468-M472 PolarHBondContact O-N 2.96Å
469L96.8Very high88.1Confident0 Ų057.1 Ų57.10%029%0.293CS..Hα-helixtrans-58.2-40.4177.7-69.1175.8000111.7M319 A322 L323 V326 A334 F338 P465 E467 M472 A473M319-L469 HydrophobicContact CB-CB 4.25Å; M319-L469 HydrophobicContact CE-CB 3.82Å; M319-L469 HydrophobicContact CG-CB 4.29Å; A322-L469 HydrophobicContact CB-CB 4.4Å; A322-L469 HydrophobicContact CB-CD2 3.72Å; L323-L469 HydrophobicContact CD2-CD1 4.04Å; L323-L469 HydrophobicContact CD2-CD2 3.98Å; L323-L469 HydrophobicContact CG-CD2 4.2Å; V326-L469 HydrophobicContact CG2-CD2 3.75Å; A334-L469 HydrophobicContact CB-CD1 4.38Å; F338-L469 HydrophobicContact CB-CD1 3.85Å; F338-L469 HydrophobicContact CG-CD1 4.14Å; P465-L469 VanDerWaalsContact O-CG 3.3Å; P465-L469 WeakPolarHBondContact O-CG 3.45Å; P465-L469 PolarHBondContact O-N 3.43Å; E467-L469 VanDerWaalsContact C-N 3.34Å; E467-L469 PolarHBondContact O-N 3.48Å; L469-M472 PolarHBondContact O-N 2.9Å; L469-A473 WeakPolarHBondContact O-CB 3.4Å; L469-A473 PolarHBondContact O-N 3.24Å
470R95.3Very high86Confident112 Ų11255.3 Ų55.342%0.42328%0.284SS..Hα-helixtrans-64.2-50.6177.7-170.7-177.3-67.6123.4-1.3111.3M319 V466 E467 F468 M472 A473 D474M319-R470 HydrophobicContact CE-CB 4.12Å; M319-R470 HydrophobicContact SD-CB 4.23Å; V466-R470 WeakPolarHBondContact O-CB 3.48Å; V466-R470 PolarHBondContact O-N 2.95Å; E467-R470 WeakPolarHBondContact O-CB 3.47Å; E467-R470 PolarHBondContact O-N 3.19Å; E467-R470 VanDerWaalsContact O-N 3.16Å; F468-R470 VanDerWaalsContact C-N 3.26Å; F468-R470 PolarHBondContact O-N 3.34Å; R470-M472 VanDerWaalsContact C-N 3.29Å; R470-M472 PolarHBondContact O-N 3.45Å; R470-A473 PolarHBondContact O-N 3.01Å; R470-D474 PolarHBondContact O-N 2.88Å
471S94.5Very high85.5Confident56 Ų5656.3 Ų56.339%0.39229%0.29SS..Hα-helixtrans-61.3-39.4177.8-66.40000112E467 F468 D474 N475E467-S471 PolarHBondContact O-N 3.42Å; E467-S471 PolarHBondContact O-OG 2.96Å; F468-S471 PolarHBondContact O-N 3.28Å; S471-D474 PolarHBondContact O-N 3.34Å; S471-N475 PolarHBondContact O-ND2 3.38Å
472M94.2Very high85.1Confident0 Ų055.7 Ų55.70%029%0.286CS..Hα-helixtrans-67.7-43.6177.8-166.759.671.400111.6A322 F325 I453 L456 V457 F468 L469 R470 D474 N475 F476A322-M472 HydrophobicContact CB-CB 3.95Å; A322-M472 HydrophobicContact CB-CG 4.04Å; F325-M472 HydrophobicContact CB-CE 3.89Å; F325-M472 HydrophobicContact CB-CG 3.99Å; F325-M472 HydrophobicContact CB-SD 4.23Å; F325-M472 HydrophobicContact CD1-SD 4.19Å; F325-M472 HydrophobicContact CD2-CG 3.65Å; F325-M472 HydrophobicContact CD2-SD 4.22Å; F325-M472 HydrophobicContact CE2-CG 4.28Å; F325-M472 HydrophobicContact CG-CE 4.23Å; F325-M472 HydrophobicContact CG-CG 3.84Å; F325-M472 HydrophobicContact CG-SD 3.96Å; I453-M472 HydrophobicContact CB-SD 4.22Å; I453-M472 HydrophobicContact CG1-SD 3.97Å; I453-M472 HydrophobicContact CG2-CE 4.41Å; I453-M472 HydrophobicContact CG2-SD 3.87Å; L456-M472 HydrophobicContact CB-CE 3.5Å; L456-M472 HydrophobicContact CB-SD 4.5Å; L456-M472 HydrophobicContact CD1-CE 4.19Å; L456-M472 HydrophobicContact CD1-SD 4.23Å; V457-M472 HydrophobicContact CG2-CE 3.79Å; F468-M472 HydrophobicContact CE1-CE 4.2Å; F468-M472 HydrophobicContact CE2-CE 3.62Å; F468-M472 HydrophobicContact CZ-CE 3.35Å; F468-M472 VanDerWaalsContact O-CB 3.29Å; F468-M472 WeakPolarHBondContact O-CB 3.44Å; F468-M472 PolarHBondContact O-N 2.96Å; L469-M472 PolarHBondContact O-N 2.9Å; R470-M472 VanDerWaalsContact C-N 3.29Å; R470-M472 PolarHBondContact O-N 3.45Å; M472-D474 PolarHBondContact O-N 3.43Å; M472-D474 VanDerWaalsContact O-N 3.15Å; M472-N475 PolarHBondContact O-N 3.36Å; M472-F476 HydrophobicContact CG-CD1 4.24Å; M472-F476 HydrophobicContact CG-CE1 3.93Å; M472-F476 WeakPolarHBondContact O-CD1 3.35Å; M472-F476 VanDerWaalsContact O-CE1 3.3Å; M472-F476 WeakPolarHBondContact O-CE1 3.45Å
473A93.4Very high84.7Confident0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-60.2-22.8178.100000114.2R315 R318 M319 L469 R470R315-A473 HydrophobicContact CG-CB 4.39Å; R318-A473 HydrophobicContact CB-CB 3.66Å; R318-A473 WeakPolarHBondContact CD-O 3.46Å; R318-A473 PolarHBondContact NE-O 3.41Å; M319-A473 HydrophobicContact CG-CB 3.7Å; L469-A473 WeakPolarHBondContact O-CB 3.4Å; L469-A473 PolarHBondContact O-N 3.24Å; R470-A473 PolarHBondContact O-N 3.01Å
474D89.5Confident84.1Confident85 Ų8551.9 Ų51.946%0.45526%0.259SS..THydrogen-bonded Turntrans-88.1-6.5175.9-67.4-28.1000112.7R315 R318 R470 S471 M472R315-D474 IonicContact CZ-OD1 2.83Å; R315-D474 IonicContact NE-OD1 3.1Å; R315-D474 PolarHBondContact NE-OD1 3.03Å; R315-D474 IonicContact NE-OD2 2.99Å; R315-D474 IonicContact NH2-OD1 3.1Å; R318-D474 IonicContact NH2-OD1 3.81Å; R470-D474 PolarHBondContact O-N 2.88Å; S471-D474 PolarHBondContact O-N 3.34Å; M472-D474 PolarHBondContact O-N 3.43Å; M472-D474 VanDerWaalsContact O-N 3.15Å
475N87.5Confident83.5Confident35 Ų3546.8 Ų46.819%0.18724%0.244CC..THydrogen-bonded Turntrans-105.3-14.9-175.5-85.2-83.1000115.7R452 I453 L456 S471 M472R452-N475 WeakPolarHBondContact CB-OD1 3.2Å; R452-N475 WeakPolarHBondContact CD-OD1 3.45Å; R452-N475 PolarHBondContact NE-OD1 2.83Å; R452-N475 VanDerWaalsContact NE-OD1 3.1Å; I453-N475 HydrophobicContact CG1-CB 4.08Å; L456-N475 HydrophobicContact CD1-CB 4.25Å; L456-N475 WeakPolarHBondContact CD1-ND2 3.42Å; S471-N475 PolarHBondContact O-ND2 3.38Å; M472-N475 PolarHBondContact O-N 3.36Å
476F76.9Confident82.6Confident15 Ų1549.8 Ų49.87%0.06626%0.259CS..SBendtrans-116.1128.117161.4-92.8000110.6F287 R318 L321 A322 F325 I453 M472 T478F287-F476 HydrophobicContact CE1-CD2 4.24Å; F287-F476 AromaticContact CZ-CD2 3.97Å; F287-F476 HydrophobicContact CZ-CD2 3.97Å; F287-F476 AromaticContact CZ-CE2 3.92Å; F287-F476 HydrophobicContact CZ-CE2 3.92Å; F287-F476 HydrophobicContact CZ-CG 4.37Å; F287-F476 HydrophobicContact CZ-CZ 4.25Å; R318-F476 HydrophobicContact CB-CE2 4.33Å; R318-F476 HydrophobicContact CB-CZ 4.39Å; R318-F476 VanDerWaalsContact O-CZ 3.3Å; R318-F476 WeakPolarHBondContact O-CZ 3.37Å; L321-F476 HydrophobicContact CB-CE2 3.84Å; L321-F476 HydrophobicContact CB-CZ 3.83Å; L321-F476 HydrophobicContact CD1-CE2 4.3Å; A322-F476 HydrophobicContact CB-CE1 3.97Å; A322-F476 HydrophobicContact CB-CZ 4.1Å; F325-F476 HydrophobicContact CD2-CE1 4.28Å; F325-F476 AromaticContact CE2-CD1 3.92Å; F325-F476 HydrophobicContact CE2-CD1 3.92Å; F325-F476 AromaticContact CE2-CE1 3.77Å; F325-F476 HydrophobicContact CE2-CE1 3.77Å; F325-F476 HydrophobicContact CE2-CZ 4.38Å; F325-F476 HydrophobicContact CZ-CD1 4.34Å; I453-F476 HydrophobicContact CD1-CB 4.12Å; M472-F476 HydrophobicContact CG-CD1 4.24Å; M472-F476 HydrophobicContact CG-CE1 3.93Å; M472-F476 WeakPolarHBondContact O-CD1 3.35Å; M472-F476 VanDerWaalsContact O-CE1 3.3Å; M472-F476 WeakPolarHBondContact O-CE1 3.45Å; F476-T478 HydrophobicContact CD2-CG2 4.19Å; F476-T478 HydrophobicContact CE2-CG2 4.06Å
477A62.4Low81.7Confident81 Ų8152.6 Ų52.667%0.66927%0.274SS*.  trans-79.5122.2174.300000109.3E479A477-E479 HydrophobicContact CB-CG 4.29Å; A477-E479 PolarHBondContact O-N 3.14Å; A477-E479 VanDerWaalsContact O-N 3.17Å
478T59.1Low80.6Confident13 Ų1350.6 Ų50.68%0.0827%0.266CS..  trans-84.270.3163.441.30000108.3V291 Y307 R318 L321 F476 F480V291-T478 HydrophobicContact CG1-CG2 3.9Å; V291-T478 HydrophobicContact CG2-CG2 4.41Å; Y307-T478 PolarHBondContact OH-OG1 3.05Å; R318-T478 WeakPolarHBondContact CD-OG1 3.45Å; R318-T478 HydrophobicContact CG-CG2 4.01Å; L321-T478 HydrophobicContact CD1-CG2 3.47Å; L321-T478 VanDerWaalsContact CD1-CG2 3.47Å; F476-T478 HydrophobicContact CD2-CG2 4.19Å; F476-T478 HydrophobicContact CE2-CG2 4.06Å; T478-F480 HydrophobicContact CG2-CE1 4.49Å; T478-F480 PolarHBondContact O-N 3.14Å
479E51.9Low79.3Confident161 Ų16153.4 Ų53.475%0.75228%0.282SS*.  trans-69.3102.4167.3-74.6-173.4-176.200107.7A477A477-E479 HydrophobicContact CB-CG 4.29Å; A477-E479 PolarHBondContact O-N 3.14Å; A477-E479 VanDerWaalsContact O-N 3.17Å
480F49.6Very low77.7Confident83 Ų8358.3 Ų58.336%0.36431%0.308SS..  trans-85.20-172.9-84.1-33.2000113.3V291 M294 K295 L298 Y307 T478V291-F480 HydrophobicContact CG1-CD1 4.04Å; V291-F480 HydrophobicContact CG1-CE1 3.71Å; V291-F480 WeakPolarHBondContact O-CE1 3.11Å; M294-F480 HydrophobicContact CG-CZ 4.28Å; K295-F480 HydrophobicContact CB-CD1 3.57Å; K295-F480 HydrophobicContact CB-CE1 3.71Å; K295-F480 HydrophobicContact CB-CG 4.11Å; K295-F480 HydrophobicContact CB-CZ 4.34Å; K295-F480 HydrophobicContact CD-CB 3.61Å; K295-F480 HydrophobicContact CD-CD1 4Å; K295-F480 HydrophobicContact CD-CG 3.92Å; K295-F480 WeakPolarHBondContact CD-OXT 3.29Å; K295-F480 HydrophobicContact CG-CB 4.07Å; K295-F480 HydrophobicContact CG-CD1 3.83Å; K295-F480 HydrophobicContact CG-CD2 4.31Å; K295-F480 HydrophobicContact CG-CE1 4.34Å; K295-F480 HydrophobicContact CG-CG 3.84Å; K295-F480 PolarHBondContact NZ-O 3.26Å; K295-F480 PolarHBondContact NZ-OXT 3.47Å; L298-F480 HydrophobicContact CD1-CE2 3.81Å; L298-F480 HydrophobicContact CD1-CZ 3.96Å; Y307-F480 AromaticContact CD1-CD2 3.94Å; Y307-F480 HydrophobicContact CD1-CD2 3.94Å; Y307-F480 AromaticContact CD1-CE2 3.7Å; Y307-F480 HydrophobicContact CD1-CE2 3.7Å; Y307-F480 HydrophobicContact CD2-CE2 4.18Å; Y307-F480 AromaticContact CE1-CD2 3.34Å; Y307-F480 HydrophobicContact CE1-CD2 3.34Å; Y307-F480 AromaticContact CE1-CE2 3.19Å; Y307-F480 HydrophobicContact CE1-CE2 3.19Å; Y307-F480 HydrophobicContact CE1-CZ 4.44Å; Y307-F480 AromaticContact CE2-CE2 3.7Å; Y307-F480 HydrophobicContact CE2-CE2 3.7Å; Y307-F480 HydrophobicContact CE2-CZ 4.35Å; Y307-F480 HydrophobicContact CG-CE2 4.18Å; Y307-F480 AromaticContact CZ-CD2 3.74Å; Y307-F480 AromaticContact CZ-CE2 3.18Å; Y307-F480 WeakPolarHBondContact OH-CE2 3.14Å; T478-F480 HydrophobicContact CG2-CE1 4.49Å; T478-F480 PolarHBondContact O-N 3.14Å

Retrieved 480 of 480 residues in 444.7 ms (Link to these results)

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