A0A3Q0KRC0_SCHMA Loading...

RING-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KRC0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 343 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
1M77.9Confident91.8Very high184 Ų184105.9 Ų105.991%0.90649%0.492SS*.  0149.90-69.4167.9151.200108V11M1-V11 HydrophobicContact CB-CG1 3.77Å; M1-V11 HydrophobicContact SD-CG1 4.16Å
2G89.7Confident92.1Very high17 Ų1798.1 Ų98.118%0.17546%0.457CS..EExtended strand (participates in β ladder)trans-109.6168.7-178.800000112.2V11 T12G2-V11 WeakPolarHBondContact O-CA 3.29Å; G2-T12 PolarHBondContact N-O 2.65Å; G2-T12 PolarHBondContact O-N 2.85Å; G2-T12 VanDerWaalsContact O-O 3.14Å
3L94.4Very high92.3Very high100 Ų10096.9 Ų96.952%0.52446%0.456SS..EExtended strand (participates in β ladder)trans-95.8135.8171-62175000109.3R9 V11 N22L3-R9 WeakPolarHBondContact CD2-O 3.24Å; L3-V11 HydrophobicContact CD2-CB 4.49Å; L3-V11 HydrophobicContact CD2-CG2 3.68Å; L3-N22 WeakPolarHBondContact O-CB 3.24Å
4C95.9Very high92.6Very high5 Ų590.9 Ų90.93%0.03443%0.429CS..  trans-65.7139.9170.5-176.40000110.6C6 R10 T12 N22 C24 C27C4-C6 PolarHBondContact O-N 3.38Å; C4-R10 PolarHBondContact N-O 3Å; C4-T12 HydrophobicContact CB-CG2 4.22Å; C4-N22 WeakPolarHBondContact CA-O 3.39Å; C4-C24 HydrophobicContact CB-CB 3.77Å; C4-C24 PolarHBondContact SG-N 3.5Å; C4-C27 VanDerWaalsContact SG-SG 3.67Å
5K89.8Confident92.8Very high115 Ų11584.9 Ų84.950%0.540%0.4SS..SBendtrans-72.3-4.2178.7-70-163.3-178.1-176.10115.2V21 D234K5-V21 HydrophobicContact CB-CG2 4.08Å; K5-V21 HydrophobicContact CD-CG2 3.41Å; K5-V21 VanDerWaalsContact CD-CG2 3.41Å; K5-V21 HydrophobicContact CG-CG2 3.47Å; K5-V21 VanDerWaalsContact CG-CG2 3.47Å; K5-D234 WeakPolarHBondContact CE-OD2 3.35Å; K5-D234 VanDerWaalsContact NZ-CB 3.29Å; K5-D234 IonicContact NZ-OD2 2.74Å; K5-D234 PolarHBondContact NZ-OD2 3.29Å
6C93.4Very high93.1Very high27 Ų2779.6 Ų79.618%0.18238%0.375CS..SBendtrans-74165.517572.50000112.3C4 R8 R9 C27C4-C6 PolarHBondContact O-N 3.38Å; C6-R8 PolarHBondContact O-N 2.99Å; C6-R9 PolarHBondContact O-N 2.89Å; C6-C27 WeakPolarHBondContact CB-SG 3.31Å; C6-C27 VanDerWaalsContact SG-SG 3.64Å
7E94.5Very high93.2Very high180 Ų18075.3 Ų75.384%0.84136%0.355SS*.THydrogen-bonded Turntrans-50.4-31.8178.1-171.356.6-142.700113.6R9E7-R9 PolarHBondContact O-N 2.89Å
8R92.3Very high93.2Very high142 Ų14274.3 Ų74.354%0.53635%0.35SS..THydrogen-bonded Turntrans-69.6-17.1-179.2-54.4179.7179.191.5-0.2113.6C6 R10C6-R8 PolarHBondContact O-N 2.99Å; R8-R10 HydrophobicContact CB-CG 3.99Å; R8-R10 PolarHBondContact O-N 3.26Å
9R92.8Very high93.3Very high180 Ų18075.8 Ų75.868%0.67936%0.357SS*.  trans42.136.2-177.8-63.1-176.5178.7-114.40.2114.6L3 C6 E7L3-R9 WeakPolarHBondContact CD2-O 3.24Å; C6-R9 PolarHBondContact O-N 2.89Å; E7-R9 PolarHBondContact O-N 2.89Å
10R93.4Very high93.3Very high116 Ų11677.8 Ų77.844%0.43836%0.361SS..  trans-66.7137-176.6-69.9-167.5177.2-148.32.7110.9C4 R8 T12 C24C4-R10 PolarHBondContact N-O 3Å; R8-R10 HydrophobicContact CB-CG 3.99Å; R8-R10 PolarHBondContact O-N 3.26Å; R10-T12 PolarHBondContact O-N 2.99Å; R10-C24 HydrophobicContact CB-CB 4.03Å
11V95.2Very high93.4Very high99 Ų9975 Ų7560%0.635%0.349SS*.EExtended strand (participates in β ladder)trans-62.2131.6167.3-179.40000108.4M1 G2 L3M1-V11 HydrophobicContact CB-CG1 3.77Å; M1-V11 HydrophobicContact SD-CG1 4.16Å; G2-V11 WeakPolarHBondContact O-CA 3.29Å; L3-V11 HydrophobicContact CD2-CB 4.49Å; L3-V11 HydrophobicContact CD2-CG2 3.68Å
12T95.3Very high94.3Very high12 Ų1267.1 Ų67.17%0.07431%0.311CS..EExtended strand (participates in β ladder)trans-145.9145.8-176.9-177.90000110.8G2 C4 R10 L14 N22 V23G2-T12 PolarHBondContact N-O 2.65Å; G2-T12 PolarHBondContact O-N 2.85Å; G2-T12 VanDerWaalsContact O-O 3.14Å; C4-T12 HydrophobicContact CB-CG2 4.22Å; R10-T12 PolarHBondContact O-N 2.99Å; T12-L14 WeakPolarHBondContact OG1-CB 3.28Å; T12-L14 PolarHBondContact OG1-N 2.93Å; T12-N22 HydrophobicContact CG2-CB 3.9Å; T12-V23 VanDerWaalsContact CB-O 3.29Å; T12-V23 WeakPolarHBondContact CB-O 3.42Å; T12-V23 WeakPolarHBondContact CG2-O 3.27Å; T12-V23 PolarHBondContact OG1-O 2.91Å
13N94.9Very high94.6Very high83 Ų8366.4 Ų66.444%0.44430%0.303SS..SBendtrans-94.7-5.9166.968.9-16.7000112.2S39 Y40N13-S39 CarbonylContact O-C 3.56Å; N13-S39 VanDerWaalsContact O-CA 3.32Å; N13-S39 WeakPolarHBondContact O-CA 3.39Å; N13-Y40 PolarHBondContact O-N 3.34Å
14L96.2Very high94.7Very high13 Ų1361.9 Ų61.97%0.06828%0.28CS..EExtended strand (participates in β ladder)trans-82.3141.8-178.8-50176.8000111T12 N22 V23 E25 L28 V37 K38 L74T12-L14 WeakPolarHBondContact OG1-CB 3.28Å; T12-L14 PolarHBondContact OG1-N 2.93Å; L14-N22 WeakPolarHBondContact O-CA 3.41Å; L14-V23 HydrophobicContact CB-CG2 3.95Å; L14-V23 WeakPolarHBondContact CB-O 3.49Å; L14-V23 PolarHBondContact O-N 3.48Å; L14-V23 VanDerWaalsContact O-N 3.11Å; L14-E25 HydrophobicContact CD1-CG 4.08Å; L14-L28 HydrophobicContact CD1-CD2 4.19Å; L14-V37 HydrophobicContact CB-CG1 3.96Å; L14-K38 WeakPolarHBondContact CA-O 3.34Å; L14-L74 HydrophobicContact CD2-CD1 3.54Å; L14-L74 HydrophobicContact CD2-CD2 4.39Å
15F96.5Very high94.7Very high0 Ų065.9 Ų65.90%030%0.298CS..EExtended strand (participates in β ladder)trans-138.8128.7-178-166.6-94.3000110F17 R20 V21 V37 K38 Y40 W43 Y238F15-F17 HydrophobicContact CD1-CD2 4.48Å; F15-F17 WeakPolarHBondContact O-CD2 3.47Å; F15-R20 HydrophobicContact CE1-CB 4.35Å; F15-R20 HydrophobicContact CZ-CB 4.19Å; F15-R20 WeakPolarHBondContact CZ-O 3.25Å; F15-V21 WeakPolarHBondContact CA-O 3.47Å; F15-V37 WeakPolarHBondContact O-CA 3.38Å; F15-V37 WeakPolarHBondContact O-CG1 3.24Å; F15-K38 PolarHBondContact N-O 3.32Å; F15-K38 PolarHBondContact O-N 2.73Å; F15-Y40 HydrophobicContact CB-CD2 4.28Å; F15-Y40 AromaticContact CD2-CD2 3.51Å; F15-Y40 HydrophobicContact CD2-CD2 3.51Å; F15-Y40 HydrophobicContact CD2-CE2 4.08Å; F15-Y40 AromaticContact CE2-CD2 3.92Å; F15-Y40 HydrophobicContact CE2-CD2 3.92Å; F15-Y40 AromaticContact CE2-CE2 4Å; F15-Y40 HydrophobicContact CE2-CE2 4Å; F15-Y40 AromaticContact CG-CD2 3.95Å; F15-Y40 HydrophobicContact CG-CD2 3.95Å; F15-W43 HydrophobicContact CD1-CB 3.71Å; F15-W43 AromaticContact CD1-CD1 3.64Å; F15-W43 AromaticContact CD1-CD2 3.78Å; F15-W43 HydrophobicContact CD1-CD2 3.78Å; F15-W43 HydrophobicContact CD1-CE3 4.43Å; F15-W43 AromaticContact CD1-CG 3.35Å; F15-W43 HydrophobicContact CD1-CG 3.35Å; F15-W43 HydrophobicContact CE1-CB 4.21Å; F15-W43 AromaticContact CE1-CD1 3.43Å; F15-W43 VanDerWaalsContact CE1-CD1 3.43Å; F15-W43 AromaticContact CE1-CD2 3.33Å; F15-W43 HydrophobicContact CE1-CD2 3.33Å; F15-W43 AromaticContact CE1-CE2 3.52Å; F15-W43 HydrophobicContact CE1-CE3 4.02Å; F15-W43 AromaticContact CE1-CG 3.36Å; F15-W43 HydrophobicContact CE1-CG 3.36Å; F15-W43 HydrophobicContact CE1-CZ2 4.4Å; F15-W43 AromaticContact CE1-NE1 3.48Å; F15-W43 HydrophobicContact CG-CB 4.34Å; F15-W43 HydrophobicContact CG-CG 4.3Å; F15-W43 AromaticContact CZ-CD2 3.82Å; F15-W43 HydrophobicContact CZ-CD2 3.82Å; F15-W43 AromaticContact CZ-CE2 3.97Å; F15-W43 HydrophobicContact CZ-CE3 4.08Å; F15-W43 HydrophobicContact CZ-CG 4.29Å; F15-W43 HydrophobicContact CZ-CZ2 4.46Å; F15-Y238 HydrophobicContact CE2-CE2 4.06Å; F15-Y238 HydrophobicContact CZ-CD2 4.19Å; F15-Y238 AromaticContact CZ-CE2 3.94Å; F15-Y238 HydrophobicContact CZ-CE2 3.94Å
16C96.6Very high95Very high0 Ų063.6 Ų63.60%029%0.288CS..EExtended strand (participates in β ladder)trans-83.7122.8175.1-178.50000109.8H19 R20 V21 V23 C35 V37C16-H19 HydrophobicContact CB-CB 4.23Å; C16-H19 PolarHBondContact SG-N 3.45Å; C16-H19 PolarHBondContact SG-ND1 3.44Å; C16-R20 WeakPolarHBondContact O-CA 3.4Å; C16-R20 PolarHBondContact O-N 3.37Å; C16-V21 HydrophobicContact CB-CG1 4.25Å; C16-V21 PolarHBondContact N-O 3.38Å; C16-V21 PolarHBondContact O-N 3.25Å; C16-V23 HydrophobicContact CB-CG1 3.87Å; C16-V23 HydrophobicContact CB-CG2 4.45Å; C16-C35 VanDerWaalsContact SG-CB 3.55Å; C16-V37 HydrophobicContact CB-CG2 4.07Å
17F95.2Very high95.1Very high7 Ų763 Ų633%0.03128%0.283CS..THydrogen-bonded Turntrans-75.9-36-175.2-78.7-124.5000111.4F15 I36 K38 R42 W43 D46 F49F15-F17 HydrophobicContact CD1-CD2 4.48Å; F15-F17 WeakPolarHBondContact O-CD2 3.47Å; F17-I36 HydrophobicContact CB-CB 4.44Å; F17-I36 PolarHBondContact N-O 3.06Å; F17-K38 HydrophobicContact CE2-CB 3.63Å; F17-K38 HydrophobicContact CE2-CG 4.22Å; F17-K38 HydrophobicContact CZ-CB 3.96Å; F17-K38 HydrophobicContact CZ-CG 4.41Å; F17-R42 HydrophobicContact CZ-CB 4.27Å; F17-R42 HydrophobicContact CZ-CG 4.13Å; F17-W43 AromaticContact CD1-CD1 3.87Å; F17-W43 HydrophobicContact CD2-CB 4.46Å; F17-W43 HydrophobicContact CE1-CB 4.06Å; F17-W43 AromaticContact CE1-CD1 3.99Å; F17-W43 HydrophobicContact CE1-CG 4.46Å; F17-W43 HydrophobicContact CE2-CB 3.76Å; F17-W43 HydrophobicContact CE2-CG 4.47Å; F17-W43 VanDerWaalsContact CZ-CA 3.43Å; F17-W43 HydrophobicContact CZ-CB 3.55Å; F17-W43 HydrophobicContact CZ-CG 4.34Å; F17-D46 VanDerWaalsContact CE1-O 3.31Å; F17-D46 WeakPolarHBondContact CE1-O 3.13Å; F17-F49 HydrophobicContact CB-CB 4.13Å; F17-F49 HydrophobicContact CB-CD1 3.64Å; F17-F49 HydrophobicContact CB-CD2 4.46Å; F17-F49 HydrophobicContact CB-CE1 4.13Å; F17-F49 HydrophobicContact CB-CG 3.82Å; F17-F49 HydrophobicContact CD1-CB 3.97Å; F17-F49 HydrophobicContact CD1-CD1 4.18Å; F17-F49 HydrophobicContact CD1-CG 4.4Å; F17-F49 HydrophobicContact CG-CB 4.38Å; F17-F49 HydrophobicContact CG-CD1 4.43Å
18E94.2Very high95.2Very high58 Ų5854.4 Ų54.427%0.27124%0.243SC..THydrogen-bonded Turntrans-66.8-52.1176.2-72.8162.3-141.900111.7C35 I36 F49E18-C35 WeakPolarHBondContact OE1-CA 3.31Å; E18-C35 WeakPolarHBondContact OE2-CA 3.33Å; E18-C35 WeakPolarHBondContact OE2-CB 3.26Å; E18-C35 PolarHBondContact OE2-SG 2.97Å; E18-I36 PolarHBondContact OE1-N 2.93Å; E18-F49 HydrophobicContact CB-CE2 4.46Å; E18-F49 HydrophobicContact CB-CZ 4.39Å; E18-F49 HydrophobicContact CG-CD2 4.17Å; E18-F49 HydrophobicContact CG-CE2 3.34Å; E18-F49 HydrophobicContact CG-CZ 3.68Å
19H93.6Very high95.4Very high102 Ų10250.5 Ų50.547%0.47224%0.235SC..THydrogen-bonded Turntrans-88.2-7.1-175.3-64.399.7000113.9C16 V21 H32 C35C16-H19 HydrophobicContact CB-CB 4.23Å; C16-H19 PolarHBondContact SG-N 3.45Å; C16-H19 PolarHBondContact SG-ND1 3.44Å; H19-V21 VanDerWaalsContact C-N 3.32Å; H19-V21 HydrophobicContact CB-CG1 3.68Å; H19-V21 PolarHBondContact O-N 2.96Å; H19-H32 AromaticContact CE1-CE1 3.81Å; H19-H32 AromaticContact CE1-ND1 3.67Å; H19-H32 AromaticContact CG-CE1 3.71Å; H19-H32 AromaticContact ND1-CE1 3.25Å; H19-H32 PolarHBondContact ND1-CE1 2.9Å; H19-H32 VanDerWaalsContact ND1-CE1 3.25Å; H19-H32 AromaticContact ND1-ND1 3.24Å; H19-H32 PolarHBondContact ND1-ND1 3.48Å; H19-C35 PolarHBondContact CE1-SG 2.62Å; H19-C35 PolarHBondContact ND1-SG 3.02Å
20R94.5Very high95.4Very high116 Ų11645.2 Ų45.244%0.43823%0.23SC..THydrogen-bonded Turntrans50.748.1-179.3-56.3-178.5-176.9-172.10.5113.3F15 C16 Y238F15-R20 HydrophobicContact CE1-CB 4.35Å; F15-R20 HydrophobicContact CZ-CB 4.19Å; F15-R20 WeakPolarHBondContact CZ-O 3.25Å; C16-R20 WeakPolarHBondContact O-CA 3.4Å; C16-R20 PolarHBondContact O-N 3.37Å; R20-Y238 HydrophobicContact CB-CD2 4.18Å; R20-Y238 WeakPolarHBondContact O-CD2 3.34Å; R20-Y238 WeakPolarHBondContact O-CE2 3.42Å
21V94.8Very high95.5Very high20 Ų2045.5 Ų45.512%0.12124%0.241CC..EExtended strand (participates in β ladder)trans-140.9146.5-17465.80000112K5 F15 C16 H19 V23K5-V21 HydrophobicContact CB-CG2 4.08Å; K5-V21 HydrophobicContact CD-CG2 3.41Å; K5-V21 VanDerWaalsContact CD-CG2 3.41Å; K5-V21 HydrophobicContact CG-CG2 3.47Å; K5-V21 VanDerWaalsContact CG-CG2 3.47Å; F15-V21 WeakPolarHBondContact CA-O 3.47Å; C16-V21 HydrophobicContact CB-CG1 4.25Å; C16-V21 PolarHBondContact N-O 3.38Å; C16-V21 PolarHBondContact O-N 3.25Å; H19-V21 VanDerWaalsContact C-N 3.32Å; H19-V21 HydrophobicContact CB-CG1 3.68Å; H19-V21 PolarHBondContact O-N 2.96Å; V21-V23 HydrophobicContact CG1-CG1 3.93Å
22N96.4Very high95.5Very high18 Ų1841.8 Ų41.810%0.09622%0.216CC..EExtended strand (participates in β ladder)trans-68.5129.8169-70.696.6000111L3 C4 T12 L14L3-N22 WeakPolarHBondContact O-CB 3.24Å; C4-N22 WeakPolarHBondContact CA-O 3.39Å; T12-N22 HydrophobicContact CG2-CB 3.9Å; L14-N22 WeakPolarHBondContact O-CA 3.41Å
23V96.6Very high95.4Very high2 Ų246.3 Ų46.31%0.01224%0.237CC..  trans-124.5139-175.4-63.80000110.4T12 L14 C16 V21 H32 V37T12-V23 VanDerWaalsContact CB-O 3.29Å; T12-V23 WeakPolarHBondContact CB-O 3.42Å; T12-V23 WeakPolarHBondContact CG2-O 3.27Å; T12-V23 PolarHBondContact OG1-O 2.91Å; L14-V23 HydrophobicContact CB-CG2 3.95Å; L14-V23 WeakPolarHBondContact CB-O 3.49Å; L14-V23 PolarHBondContact O-N 3.48Å; L14-V23 VanDerWaalsContact O-N 3.11Å; C16-V23 HydrophobicContact CB-CG1 3.87Å; C16-V23 HydrophobicContact CB-CG2 4.45Å; V21-V23 HydrophobicContact CG1-CG1 3.93Å; V23-H32 WeakPolarHBondContact CG1-NE2 3.45Å; V23-V37 HydrophobicContact CG2-CG1 3.69Å; V23-V37 HydrophobicContact CG2-CG2 4.41Å
24C96.5Very high95.4Very high5 Ų543.5 Ų43.53%0.03422%0.22CC..  trans-90.3164.8170.372.10000110.2C4 R10 F26 C27 L28C4-C24 HydrophobicContact CB-CB 3.77Å; C4-C24 PolarHBondContact SG-N 3.5Å; R10-C24 HydrophobicContact CB-CB 4.03Å; C24-F26 PolarHBondContact O-N 3.29Å; C24-C27 PolarHBondContact O-N 3.39Å; C24-C27 VanDerWaalsContact SG-SG 3.67Å; C24-L28 PolarHBondContact O-N 3.47Å
25E95.4Very high95.4Very high88 Ų8843.2 Ų43.241%0.41122%0.219SC..Hα-helixtrans-56.9-32.5-179.8-68.2-178.4-17100113.7L14 L28 V29 P116 V117L14-E25 HydrophobicContact CD1-CG 4.08Å; E25-L28 WeakPolarHBondContact O-CB 3.06Å; E25-L28 PolarHBondContact O-N 3.5Å; E25-V29 PolarHBondContact O-N 3.2Å; E25-P116 HydrophobicContact CB-CG 4.17Å; E25-P116 WeakPolarHBondContact OE2-CD 3.2Å; E25-V117 HydrophobicContact CB-CG2 4.14Å; E25-V117 HydrophobicContact CG-CG2 4.31Å
26F96Very high95.4Very high68 Ų6844.6 Ų44.630%0.29823%0.226SC..Hα-helixtrans-66.4-42.7175.3-66.2-91000112.1C24 L28 V29 A30 P116C24-F26 PolarHBondContact O-N 3.29Å; F26-L28 VanDerWaalsContact C-N 3.25Å; F26-L28 PolarHBondContact O-N 3.41Å; F26-V29 PolarHBondContact O-N 3.32Å; F26-A30 WeakPolarHBondContact O-CB 3.16Å; F26-A30 PolarHBondContact O-N 3.4Å; F26-P116 HydrophobicContact CD1-CB 4.28Å; F26-P116 HydrophobicContact CD1-CG 3.58Å; F26-P116 HydrophobicContact CD2-CG 3.85Å; F26-P116 HydrophobicContact CE1-CB 4.44Å; F26-P116 HydrophobicContact CE1-CG 3.46Å; F26-P116 VanDerWaalsContact CE1-CG 3.46Å; F26-P116 HydrophobicContact CE2-CG 3.68Å; F26-P116 HydrophobicContact CG-CG 3.78Å; F26-P116 HydrophobicContact CZ-CG 3.51Å
27C96.9Very high95.4Very high13 Ų1344.6 Ų44.69%0.08823%0.227CC..Hα-helixtrans-68.5-31.1175.1-67.60000111.5C4 C6 C24 V29 A30 N31 H32C4-C27 VanDerWaalsContact SG-SG 3.67Å; C6-C27 WeakPolarHBondContact CB-SG 3.31Å; C6-C27 VanDerWaalsContact SG-SG 3.64Å; C24-C27 PolarHBondContact O-N 3.39Å; C24-C27 VanDerWaalsContact SG-SG 3.67Å; C27-V29 VanDerWaalsContact C-N 3.31Å; C27-V29 PolarHBondContact O-N 3.31Å; C27-A30 PolarHBondContact O-N 2.89Å; C27-N31 PolarHBondContact O-N 3.34Å; C27-H32 PolarHBondContact O-CD2 3.26Å; C27-H32 PolarHBondContact O-N 3.41Å
28L96Very high95.4Very high0 Ų047 Ų470%024%0.237CC..Hα-helixtrans-59.3-44.2178.2-168.760000111.7L14 C24 E25 F26 H32 H33 V37 L74 V117L14-L28 HydrophobicContact CD1-CD2 4.19Å; C24-L28 PolarHBondContact O-N 3.47Å; E25-L28 WeakPolarHBondContact O-CB 3.06Å; E25-L28 PolarHBondContact O-N 3.5Å; F26-L28 VanDerWaalsContact C-N 3.25Å; F26-L28 PolarHBondContact O-N 3.41Å; L28-H32 HydrophobicContact CD1-CB 4.1Å; L28-H32 CarbonylContact O-C 3.54Å; L28-H33 PolarHBondContact O-N 2.88Å; L28-V37 HydrophobicContact CD1-CB 3.74Å; L28-V37 HydrophobicContact CD1-CG1 3.88Å; L28-V37 HydrophobicContact CD1-CG2 3.44Å; L28-V37 VanDerWaalsContact CD1-CG2 3.44Å; L28-L74 HydrophobicContact CD2-CD2 3.69Å; L28-V117 HydrophobicContact CB-CG2 4.46Å; L28-V117 HydrophobicContact CD2-CG2 3.79Å; L28-V117 HydrophobicContact CG-CG2 4.44Å
29V95.7Very high95.5Very high60 Ų6046.4 Ų46.436%0.36424%0.239SC..Hα-helixtrans-76.1-43.9177.8179.20000111.7E25 F26 C27 P116 V117 A120E25-V29 PolarHBondContact O-N 3.2Å; F26-V29 PolarHBondContact O-N 3.32Å; C27-V29 VanDerWaalsContact C-N 3.31Å; C27-V29 PolarHBondContact O-N 3.31Å; V29-P116 HydrophobicContact CG2-CB 4.06Å; V29-V117 HydrophobicContact CG2-CB 4.49Å; V29-V117 HydrophobicContact CG2-CG2 4.03Å; V29-A120 HydrophobicContact CG1-CB 3.76Å; V29-A120 HydrophobicContact CG2-CB 4.12Å
30A94.7Very high95.5Very high70 Ų7044.3 Ų44.358%0.57923%0.228SC*.Hα-helixtrans-74.1-45.5-171.900000113.9F26 C27F26-A30 WeakPolarHBondContact O-CB 3.16Å; F26-A30 PolarHBondContact O-N 3.4Å; C27-A30 PolarHBondContact O-N 2.89Å
31N94.6Very high95.5Very high122 Ų12244.5 Ų44.565%0.65224%0.237SC*.THydrogen-bonded Turntrans-127.7-8.8-165.6-62.3-11.2000113.8C27C27-N31 PolarHBondContact O-N 3.34Å
32H95Very high95.4Very high20 Ų2050 Ų509%0.09326%0.255CS..  trans-124.338.5-178.5-64-75000111.1H19 V23 C27 L28 K34 C35 R70H19-H32 AromaticContact CE1-CE1 3.81Å; H19-H32 AromaticContact CE1-ND1 3.67Å; H19-H32 AromaticContact CG-CE1 3.71Å; H19-H32 AromaticContact ND1-CE1 3.25Å; H19-H32 PolarHBondContact ND1-CE1 2.9Å; H19-H32 VanDerWaalsContact ND1-CE1 3.25Å; H19-H32 AromaticContact ND1-ND1 3.24Å; H19-H32 PolarHBondContact ND1-ND1 3.48Å; V23-H32 WeakPolarHBondContact CG1-NE2 3.45Å; C27-H32 PolarHBondContact O-CD2 3.26Å; C27-H32 PolarHBondContact O-N 3.41Å; L28-H32 HydrophobicContact CD1-CB 4.1Å; L28-H32 CarbonylContact O-C 3.54Å; H32-K34 VanDerWaalsContact C-N 3.3Å; H32-K34 PolarHBondContact O-N 3.26Å; H32-C35 HydrophobicContact CB-CB 4.04Å; H32-C35 PolarHBondContact ND1-SG 3.48Å; H32-C35 VanDerWaalsContact ND1-SG 3.44Å; H32-C35 PolarHBondContact O-N 3.49Å; H32-R70 PolarHBondContact O-NH2 2.87Å
33H94.2Very high95.2Very high108 Ų10850.5 Ų50.550%0.526%0.256SS..SBendtrans-59.5-36.8-178.358.6175.2000113.8L28 R70L28-H33 PolarHBondContact O-N 2.88Å; H33-R70 PolarHBondContact O-NH2 3.4Å
34K95Very high94.9Very high23 Ų2354.8 Ų54.810%0.128%0.278CS..SBendtrans-96.9-18-179-66.5178.1177.5-162.30114.1H32 F60 E61 C68H32-K34 VanDerWaalsContact C-N 3.3Å; H32-K34 PolarHBondContact O-N 3.26Å; K34-F60 HydrophobicContact CB-CB 4.05Å; K34-F60 HydrophobicContact CD-CB 4.22Å; K34-F60 HydrophobicContact CG-CB 4.22Å; K34-F60 PolarHBondContact NZ-O 2.7Å; K34-F60 WeakPolarHBondContact O-CD2 3.26Å; K34-E61 WeakPolarHBondContact CD-OE1 3.38Å; K34-E61 IonicContact NZ-OE2 3.49Å; K34-C68 HydrophobicContact CG-CB 4.13Å
35C96.2Very high94.7Very high7 Ų763 Ų635%0.04731%0.313CS..SBendtrans-69.4148.2-168.1-59.50000113.6C16 E18 H19 H32 V37 R70C16-C35 VanDerWaalsContact SG-CB 3.55Å; E18-C35 WeakPolarHBondContact OE1-CA 3.31Å; E18-C35 WeakPolarHBondContact OE2-CA 3.33Å; E18-C35 WeakPolarHBondContact OE2-CB 3.26Å; E18-C35 PolarHBondContact OE2-SG 2.97Å; H19-C35 PolarHBondContact CE1-SG 2.62Å; H19-C35 PolarHBondContact ND1-SG 3.02Å; H32-C35 HydrophobicContact CB-CB 4.04Å; H32-C35 PolarHBondContact ND1-SG 3.48Å; H32-C35 VanDerWaalsContact ND1-SG 3.44Å; H32-C35 PolarHBondContact O-N 3.49Å; C35-V37 HydrophobicContact CB-CG2 4.16Å; C35-V37 PolarHBondContact O-N 3.4Å; C35-R70 PolarHBondContact O-NH1 3.34Å; C35-R70 PolarHBondContact O-NH2 3.23Å
36I96.5Very high94.5Very high29 Ų2961.4 Ų61.415%0.14931%0.307CS..  trans-73116.3166.6-52.9-53000110.1F17 E18 F49 P51 F60F17-I36 HydrophobicContact CB-CB 4.44Å; F17-I36 PolarHBondContact N-O 3.06Å; E18-I36 PolarHBondContact OE1-N 2.93Å; I36-F49 HydrophobicContact CB-CB 4.2Å; I36-F49 HydrophobicContact CB-CD2 4.14Å; I36-F49 HydrophobicContact CB-CG 4.45Å; I36-F49 HydrophobicContact CG1-CB 4.38Å; I36-F49 HydrophobicContact CG1-CD2 3.93Å; I36-F49 HydrophobicContact CG2-CB 4.01Å; I36-P51 HydrophobicContact CG1-CB 4.42Å; I36-F60 HydrophobicContact CD1-CE2 3.95Å
37V96.7Very high94.2Very high1 Ų159.5 Ų59.51%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-129.8125.4-179.1-178.30000109.4L14 F15 C16 V23 L28 C35L14-V37 HydrophobicContact CB-CG1 3.96Å; F15-V37 WeakPolarHBondContact O-CA 3.38Å; F15-V37 WeakPolarHBondContact O-CG1 3.24Å; C16-V37 HydrophobicContact CB-CG2 4.07Å; V23-V37 HydrophobicContact CG2-CG1 3.69Å; V23-V37 HydrophobicContact CG2-CG2 4.41Å; L28-V37 HydrophobicContact CD1-CB 3.74Å; L28-V37 HydrophobicContact CD1-CG1 3.88Å; L28-V37 HydrophobicContact CD1-CG2 3.44Å; L28-V37 VanDerWaalsContact CD1-CG2 3.44Å; C35-V37 HydrophobicContact CB-CG2 4.16Å; C35-V37 PolarHBondContact O-N 3.4Å
38K95.2Very high94Very high57 Ų5764.3 Ų64.325%0.24833%0.327CS..EExtended strand (participates in β ladder)trans-137.4-169.9174.6-60.6-68.9178.3179.90109.3L14 F15 F17 R42 D75L14-K38 WeakPolarHBondContact CA-O 3.34Å; F15-K38 PolarHBondContact N-O 3.32Å; F15-K38 PolarHBondContact O-N 2.73Å; F17-K38 HydrophobicContact CE2-CB 3.63Å; F17-K38 HydrophobicContact CE2-CG 4.22Å; F17-K38 HydrophobicContact CZ-CB 3.96Å; F17-K38 HydrophobicContact CZ-CG 4.41Å; K38-R42 HydrophobicContact CB-CB 4.11Å; K38-R42 HydrophobicContact CB-CG 4.22Å; K38-D75 IonicContact NZ-OD1 3.77Å; K38-D75 PolarHBondContact NZ-OD1 3.21Å
39S94.9Very high93.9Very high45 Ų4568.2 Ų68.232%0.31534%0.344SS..EExtended strand (participates in β ladder)trans-67.4148.2174.371.90000111.4N13 L41 R42 W43N13-S39 CarbonylContact O-C 3.56Å; N13-S39 VanDerWaalsContact O-CA 3.32Å; N13-S39 WeakPolarHBondContact O-CA 3.39Å; S39-L41 PolarHBondContact O-N 3.26Å; S39-R42 WeakPolarHBondContact O-CA 3.37Å; S39-R42 WeakPolarHBondContact O-CB 3.49Å; S39-R42 PolarHBondContact O-N 3.38Å; S39-R42 PolarHBondContact OG-N 3.02Å; S39-R42 VanDerWaalsContact OG-N 3.15Å; S39-W43 PolarHBondContact O-N 3.33Å; S39-W43 VanDerWaalsContact O-N 3.14Å
40Y94.3Very high93.8Very high58 Ų5870.6 Ų70.623%0.22736%0.355CS..Hα-helixtrans-56.3-34.6173-179.8-113.5000112.2N13 F15 R42 W43 I44 Y238N13-Y40 PolarHBondContact O-N 3.34Å; F15-Y40 HydrophobicContact CB-CD2 4.28Å; F15-Y40 AromaticContact CD2-CD2 3.51Å; F15-Y40 HydrophobicContact CD2-CD2 3.51Å; F15-Y40 HydrophobicContact CD2-CE2 4.08Å; F15-Y40 AromaticContact CE2-CD2 3.92Å; F15-Y40 HydrophobicContact CE2-CD2 3.92Å; F15-Y40 AromaticContact CE2-CE2 4Å; F15-Y40 HydrophobicContact CE2-CE2 4Å; F15-Y40 AromaticContact CG-CD2 3.95Å; F15-Y40 HydrophobicContact CG-CD2 3.95Å; Y40-R42 VanDerWaalsContact C-N 3.32Å; Y40-R42 PolarHBondContact O-N 3.44Å; Y40-W43 AromaticContact CD2-CE3 3.95Å; Y40-W43 HydrophobicContact CD2-CE3 3.95Å; Y40-W43 AromaticContact CE2-CE3 3.6Å; Y40-W43 HydrophobicContact CE2-CE3 3.6Å; Y40-W43 AromaticContact CE2-CZ3 3.85Å; Y40-W43 HydrophobicContact CE2-CZ3 3.85Å; Y40-W43 PolarHBondContact O-N 3.28Å; Y40-I44 HydrophobicContact CD1-CD1 3.77Å; Y40-I44 HydrophobicContact CE1-CD1 3.3Å; Y40-I44 HydrophobicContact CE1-CG1 4.17Å; Y40-I44 HydrophobicContact CE2-CD1 4.4Å; Y40-I44 HydrophobicContact CE2-CG1 4.43Å; Y40-I44 HydrophobicContact CG-CD1 4.5Å; Y40-I44 WeakPolarHBondContact O-CG1 3.42Å; Y40-I44 PolarHBondContact O-N 2.76Å; Y40-Y238 HydrophobicContact CE2-CE1 4.28Å
41L93.4Very high93.8Very high120 Ų12069.6 Ų69.663%0.62834%0.343SS*.Hα-helixtrans-64.5-36.2174.3-66.6178.2000112.3S39 K45S39-L41 PolarHBondContact O-N 3.26Å; L41-K45 WeakPolarHBondContact O-CG 3.22Å; L41-K45 PolarHBondContact O-N 2.72Å
42R93.2Very high93.8Very high137 Ų13764.7 Ų64.752%0.51732%0.318SS..Hα-helixtrans-64.4-47.6174.5-173.469.3-175.9-172.26.1109.9F17 K38 S39 Y40 I44 K45 D46F17-R42 HydrophobicContact CZ-CB 4.27Å; F17-R42 HydrophobicContact CZ-CG 4.13Å; K38-R42 HydrophobicContact CB-CB 4.11Å; K38-R42 HydrophobicContact CB-CG 4.22Å; S39-R42 WeakPolarHBondContact O-CA 3.37Å; S39-R42 WeakPolarHBondContact O-CB 3.49Å; S39-R42 PolarHBondContact O-N 3.38Å; S39-R42 PolarHBondContact OG-N 3.02Å; S39-R42 VanDerWaalsContact OG-N 3.15Å; Y40-R42 VanDerWaalsContact C-N 3.32Å; Y40-R42 PolarHBondContact O-N 3.44Å; R42-I44 VanDerWaalsContact C-N 3.31Å; R42-I44 PolarHBondContact O-N 3.46Å; R42-K45 PolarHBondContact O-N 2.97Å; R42-K45 VanDerWaalsContact O-N 3.09Å; R42-D46 IonicContact NH2-OD2 2.56Å; R42-D46 CarbonylContact O-C 3.14Å; R42-D46 PolarHBondContact O-N 3.31Å
43W92.6Very high93.9Very high28 Ų2863.7 Ų63.711%0.10631%0.313CS..Hα-helixtrans-58.3-39.3179.217776.1000113.3F15 F17 S39 Y40 D46 S47 Y238F15-W43 HydrophobicContact CD1-CB 3.71Å; F15-W43 AromaticContact CD1-CD1 3.64Å; F15-W43 AromaticContact CD1-CD2 3.78Å; F15-W43 HydrophobicContact CD1-CD2 3.78Å; F15-W43 HydrophobicContact CD1-CE3 4.43Å; F15-W43 AromaticContact CD1-CG 3.35Å; F15-W43 HydrophobicContact CD1-CG 3.35Å; F15-W43 HydrophobicContact CE1-CB 4.21Å; F15-W43 AromaticContact CE1-CD1 3.43Å; F15-W43 VanDerWaalsContact CE1-CD1 3.43Å; F15-W43 AromaticContact CE1-CD2 3.33Å; F15-W43 HydrophobicContact CE1-CD2 3.33Å; F15-W43 AromaticContact CE1-CE2 3.52Å; F15-W43 HydrophobicContact CE1-CE3 4.02Å; F15-W43 AromaticContact CE1-CG 3.36Å; F15-W43 HydrophobicContact CE1-CG 3.36Å; F15-W43 HydrophobicContact CE1-CZ2 4.4Å; F15-W43 AromaticContact CE1-NE1 3.48Å; F15-W43 HydrophobicContact CG-CB 4.34Å; F15-W43 HydrophobicContact CG-CG 4.3Å; F15-W43 AromaticContact CZ-CD2 3.82Å; F15-W43 HydrophobicContact CZ-CD2 3.82Å; F15-W43 AromaticContact CZ-CE2 3.97Å; F15-W43 HydrophobicContact CZ-CE3 4.08Å; F15-W43 HydrophobicContact CZ-CG 4.29Å; F15-W43 HydrophobicContact CZ-CZ2 4.46Å; F17-W43 AromaticContact CD1-CD1 3.87Å; F17-W43 HydrophobicContact CD2-CB 4.46Å; F17-W43 HydrophobicContact CE1-CB 4.06Å; F17-W43 AromaticContact CE1-CD1 3.99Å; F17-W43 HydrophobicContact CE1-CG 4.46Å; F17-W43 HydrophobicContact CE2-CB 3.76Å; F17-W43 HydrophobicContact CE2-CG 4.47Å; F17-W43 VanDerWaalsContact CZ-CA 3.43Å; F17-W43 HydrophobicContact CZ-CB 3.55Å; F17-W43 HydrophobicContact CZ-CG 4.34Å; S39-W43 PolarHBondContact O-N 3.33Å; S39-W43 VanDerWaalsContact O-N 3.14Å; Y40-W43 AromaticContact CD2-CE3 3.95Å; Y40-W43 HydrophobicContact CD2-CE3 3.95Å; Y40-W43 AromaticContact CE2-CE3 3.6Å; Y40-W43 HydrophobicContact CE2-CE3 3.6Å; Y40-W43 AromaticContact CE2-CZ3 3.85Å; Y40-W43 HydrophobicContact CE2-CZ3 3.85Å; Y40-W43 PolarHBondContact O-N 3.28Å; W43-D46 WeakPolarHBondContact CA-O 3.32Å; W43-D46 CarbonylContact O-C 3.5Å; W43-S47 PolarHBondContact O-N 2.93Å; W43-Y238 AromaticContact CH2-CD1 3.01Å; W43-Y238 HydrophobicContact CH2-CD1 3.01Å; W43-Y238 AromaticContact CH2-CE1 3.64Å; W43-Y238 HydrophobicContact CH2-CE1 3.64Å; W43-Y238 AromaticContact CH2-CG 3.58Å; W43-Y238 HydrophobicContact CH2-CG 3.58Å; W43-Y238 AromaticContact CZ2-CD1 3.76Å; W43-Y238 HydrophobicContact CZ2-CD1 3.76Å; W43-Y238 AromaticContact CZ2-CG 3.83Å; W43-Y238 HydrophobicContact CZ2-CG 3.83Å; W43-Y238 AromaticContact CZ3-CD1 3.49Å; W43-Y238 HydrophobicContact CZ3-CD1 3.49Å; W43-Y238 VanDerWaalsContact CZ3-CD1 3.49Å; W43-Y238 AromaticContact CZ3-CE1 3.58Å; W43-Y238 HydrophobicContact CZ3-CE1 3.58Å; W43-Y238 HydrophobicContact CZ3-CG 4.33Å
44I91.2Very high94Very high92 Ų9260.4 Ų60.447%0.47230%0.302SS..Hα-helixtrans-64.1-43.7174.8-69.8167.6000111.5Y40 R42Y40-I44 HydrophobicContact CD1-CD1 3.77Å; Y40-I44 HydrophobicContact CE1-CD1 3.3Å; Y40-I44 HydrophobicContact CE1-CG1 4.17Å; Y40-I44 HydrophobicContact CE2-CD1 4.4Å; Y40-I44 HydrophobicContact CE2-CG1 4.43Å; Y40-I44 HydrophobicContact CG-CD1 4.5Å; Y40-I44 WeakPolarHBondContact O-CG1 3.42Å; Y40-I44 PolarHBondContact O-N 2.76Å; R42-I44 VanDerWaalsContact C-N 3.31Å; R42-I44 PolarHBondContact O-N 3.46Å
45K91.8Very high94Very high176 Ų17662.1 Ų62.177%0.76531%0.312SS*.Hα-helixtrans-70.5-44.2-177.7-72.8179.5178.5-1720111.8L41 R42L41-K45 WeakPolarHBondContact O-CG 3.22Å; L41-K45 PolarHBondContact O-N 2.72Å; R42-K45 PolarHBondContact O-N 2.97Å; R42-K45 VanDerWaalsContact O-N 3.09Å
46D89.9Confident94Very high56 Ų5663.9 Ų63.930%0.29932%0.324SS..  trans-147.9111.1-175.4-179.68.3000107.8F17 R42 W43 D48F17-D46 VanDerWaalsContact CE1-O 3.31Å; F17-D46 WeakPolarHBondContact CE1-O 3.13Å; R42-D46 IonicContact NH2-OD2 2.56Å; R42-D46 CarbonylContact O-C 3.14Å; R42-D46 PolarHBondContact O-N 3.31Å; W43-D46 WeakPolarHBondContact CA-O 3.32Å; W43-D46 CarbonylContact O-C 3.5Å; D46-D48 WeakPolarHBondContact OD1-CB 3.32Å; D46-D48 PolarHBondContact OD1-N 3.28Å
47S91.2Very high94Very high27 Ų2769.3 Ų69.319%0.18935%0.348CS..  trans-93.3-1.4179.662.80000112.4W43 R240W43-S47 PolarHBondContact O-N 2.93Å; S47-R240 VanDerWaalsContact OG-CZ 3.31Å; S47-R240 PolarHBondContact OG-NH2 3.15Å
48D92.6Very high94Very high115 Ų11573 Ų7362%0.61537%0.366SS*.  trans-77.6138.3-178.7-59.5-18000108.6D46D46-D48 WeakPolarHBondContact OD1-CB 3.32Å; D46-D48 PolarHBondContact OD1-N 3.28Å
49F92.5Very high94Very high81 Ų8173.5 Ų73.536%0.35537%0.374SS..  trans-148.1154.7-178.268.1-85.5000110.4F17 E18 I36 P51F17-F49 HydrophobicContact CB-CB 4.13Å; F17-F49 HydrophobicContact CB-CD1 3.64Å; F17-F49 HydrophobicContact CB-CD2 4.46Å; F17-F49 HydrophobicContact CB-CE1 4.13Å; F17-F49 HydrophobicContact CB-CG 3.82Å; F17-F49 HydrophobicContact CD1-CB 3.97Å; F17-F49 HydrophobicContact CD1-CD1 4.18Å; F17-F49 HydrophobicContact CD1-CG 4.4Å; F17-F49 HydrophobicContact CG-CB 4.38Å; F17-F49 HydrophobicContact CG-CD1 4.43Å; E18-F49 HydrophobicContact CB-CE2 4.46Å; E18-F49 HydrophobicContact CB-CZ 4.39Å; E18-F49 HydrophobicContact CG-CD2 4.17Å; E18-F49 HydrophobicContact CG-CE2 3.34Å; E18-F49 HydrophobicContact CG-CZ 3.68Å; I36-F49 HydrophobicContact CB-CB 4.2Å; I36-F49 HydrophobicContact CB-CD2 4.14Å; I36-F49 HydrophobicContact CB-CG 4.45Å; I36-F49 HydrophobicContact CG1-CB 4.38Å; I36-F49 HydrophobicContact CG1-CD2 3.93Å; I36-F49 HydrophobicContact CG2-CB 4.01Å; F49-P51 HydrophobicContact CD2-CB 4.43Å; F49-P51 HydrophobicContact CD2-CG 4.46Å; F49-P51 HydrophobicContact CE2-CB 4.31Å; F49-P51 HydrophobicContact CE2-CG 4.19Å
50N94Very high94Very high110 Ų11071.5 Ų71.559%0.58836%0.36SS*.  trans-121.2108.4176.1-176.51.5000109.1S52N50-S52 PolarHBondContact ND2-OG 3.27Å; N50-S52 PolarHBondContact O-N 3.36Å; N50-S52 WeakPolarHBondContact OD1-CB 3.4Å; N50-S52 PolarHBondContact OD1-OG 2.91Å
51P94.5Very high93.8Very high50 Ų5074.9 Ų74.933%0.32538%0.378SS..  trans-81.250.6-179.536-36.1000111.6I36 F49 P59 F60I36-P51 HydrophobicContact CG1-CB 4.42Å; F49-P51 HydrophobicContact CD2-CB 4.43Å; F49-P51 HydrophobicContact CD2-CG 4.46Å; F49-P51 HydrophobicContact CE2-CB 4.31Å; F49-P51 HydrophobicContact CE2-CG 4.19Å; P51-P59 VanDerWaalsContact O-CA 3.31Å; P51-P59 WeakPolarHBondContact O-CA 3.44Å; P51-F60 VanDerWaalsContact C-CD2 3.47Å; P51-F60 WeakPolarHBondContact O-CD2 3.45Å; P51-F60 PolarHBondContact O-N 2.93Å
52S96.3Very high93.7Very high18 Ų1872.3 Ų72.313%0.12637%0.374CS..BIsolated β-bridgetrans-130.6154.2177.760.80000111.7N50 S54 E58 F60N50-S52 PolarHBondContact ND2-OG 3.27Å; N50-S52 PolarHBondContact O-N 3.36Å; N50-S52 WeakPolarHBondContact OD1-CB 3.4Å; N50-S52 PolarHBondContact OD1-OG 2.91Å; S52-S54 PolarHBondContact O-N 3.39Å; S52-E58 VanDerWaalsContact CA-O 3.29Å; S52-E58 WeakPolarHBondContact CA-O 3.37Å; S52-E58 VanDerWaalsContact CB-O 3.26Å; S52-E58 WeakPolarHBondContact CB-O 3.29Å; S52-F60 VanDerWaalsContact C-CZ 3.45Å; S52-F60 WeakPolarHBondContact O-CZ 3.46Å
53C96.9Very high93.6Very high0 Ų068.2 Ų68.20%036%0.362CS..  trans-71128.2175.9-178.60000109.8I55 H57 E58 F60 H78C53-I55 PolarHBondContact O-N 3.43Å; C53-I55 VanDerWaalsContact O-N 3.14Å; C53-H57 WeakPolarHBondContact O-CA 3.33Å; C53-H57 PolarHBondContact O-N 3.45Å; C53-E58 PolarHBondContact N-O 3.29Å; C53-F60 HydrophobicContact CB-CD1 4.41Å; C53-F60 HydrophobicContact CB-CE1 3.67Å; C53-F60 HydrophobicContact CB-CZ 4.23Å; C53-H78 VanDerWaalsContact CB-ND1 3.29Å; C53-H78 WeakPolarHBondContact CB-ND1 3.38Å; C53-H78 PolarHBondContact SG-N 3.09Å
54S95.2Very high93.5Very high38 Ų3872.4 Ų72.427%0.26639%0.393SS..THydrogen-bonded Turntrans-71.9-7.1-178.171.70000114.9S52 H57 F77S52-S54 PolarHBondContact O-N 3.39Å; S54-H57 PolarHBondContact O-CE1 3.27Å; S54-H57 VanDerWaalsContact O-CE1 3.25Å; S54-F77 VanDerWaalsContact OG-CE1 3.25Å; S54-F77 WeakPolarHBondContact OG-CE1 3.36Å
55I96.2Very high93.6Very high60 Ų6072.7 Ų72.731%0.30840%0.403SS..THydrogen-bonded Turntrans-92.4-49-179.8-59.8170.5000110.6C53 F77 C81 P101C53-I55 PolarHBondContact O-N 3.43Å; C53-I55 VanDerWaalsContact O-N 3.14Å; I55-F77 HydrophobicContact CD1-CD1 3.68Å; I55-F77 HydrophobicContact CD1-CE1 4.23Å; I55-F77 HydrophobicContact CD1-CG 4.45Å; I55-F77 HydrophobicContact CG1-CD1 3.95Å; I55-F77 HydrophobicContact CG1-CE1 4.26Å; I55-C81 HydrophobicContact CB-CB 3.95Å; I55-C81 HydrophobicContact CD1-CB 3.97Å; I55-C81 HydrophobicContact CG2-CB 3.96Å; I55-P101 HydrophobicContact CD1-CG 4.32Å; I55-P101 HydrophobicContact CG1-CG 4.5Å
56C96.2Very high93.6Very high44 Ų4467.5 Ų67.530%0.29738%0.381SS..THydrogen-bonded Turntrans-101.5-7.6-18068.40000114.1E58 H78C56-E58 PolarHBondContact O-N 3.13Å; C56-E58 VanDerWaalsContact O-N 3.1Å; C56-H78 PolarHBondContact SG-ND1 3.4Å
57H95.6Very high93.8Very high142 Ų14270.4 Ų70.466%0.65739%0.393SS*.  trans60.811.8-178-54.3-63.6000115.7C53 S54C53-H57 WeakPolarHBondContact O-CA 3.33Å; C53-H57 PolarHBondContact O-N 3.45Å; S54-H57 PolarHBondContact O-CE1 3.27Å; S54-H57 VanDerWaalsContact O-CE1 3.25Å
58E96Very high94.1Very high80 Ų8070.1 Ų70.137%0.37439%0.39SS..  trans-88141.7175.6-66.8178.3171.200111.7S52 C53 C56 K66S52-E58 VanDerWaalsContact CA-O 3.29Å; S52-E58 WeakPolarHBondContact CA-O 3.37Å; S52-E58 VanDerWaalsContact CB-O 3.26Å; S52-E58 WeakPolarHBondContact CB-O 3.29Å; C53-E58 PolarHBondContact N-O 3.29Å; C56-E58 PolarHBondContact O-N 3.13Å; C56-E58 VanDerWaalsContact O-N 3.1Å; E58-K66 IonicContact OE1-NZ 2.6Å; E58-K66 IonicContact OE2-NZ 3.77Å; E58-K66 PolarHBondContact OE2-NZ 3.25Å
59P95.8Very high94.2Very high66 Ų6664.9 Ų64.943%0.42936%0.362SS..BIsolated β-bridgetrans-60142.4174.5-21.331.6000112.9P51 E61 A62P51-P59 VanDerWaalsContact O-CA 3.31Å; P51-P59 WeakPolarHBondContact O-CA 3.44Å; P59-E61 PolarHBondContact O-N 3.39Å; P59-E61 VanDerWaalsContact O-N 3.15Å; P59-A62 HydrophobicContact CB-CB 4.12Å; P59-A62 HydrophobicContact CG-CB 4.31Å; P59-A62 VanDerWaalsContact O-CB 3.31Å; P59-A62 WeakPolarHBondContact O-CB 3.46Å; P59-A62 PolarHBondContact O-N 3.2Å
60F94.4Very high94.5Very high3 Ų362.1 Ų62.11%0.01335%0.349CS..THydrogen-bonded Turntrans-64.7-19.1178.5-60.9-58.7000113.9K34 I36 P51 S52 C53 C68 V76 H78K34-F60 HydrophobicContact CB-CB 4.05Å; K34-F60 HydrophobicContact CD-CB 4.22Å; K34-F60 HydrophobicContact CG-CB 4.22Å; K34-F60 PolarHBondContact NZ-O 2.7Å; K34-F60 WeakPolarHBondContact O-CD2 3.26Å; I36-F60 HydrophobicContact CD1-CE2 3.95Å; P51-F60 VanDerWaalsContact C-CD2 3.47Å; P51-F60 WeakPolarHBondContact O-CD2 3.45Å; P51-F60 PolarHBondContact O-N 2.93Å; S52-F60 VanDerWaalsContact C-CZ 3.45Å; S52-F60 WeakPolarHBondContact O-CZ 3.46Å; C53-F60 HydrophobicContact CB-CD1 4.41Å; C53-F60 HydrophobicContact CB-CE1 3.67Å; C53-F60 HydrophobicContact CB-CZ 4.23Å; F60-C68 VanDerWaalsContact CD1-SG 3.59Å; F60-V76 HydrophobicContact CD1-CG1 4.35Å; F60-V76 HydrophobicContact CE1-CB 4.34Å; F60-V76 HydrophobicContact CE1-CG1 3.87Å; F60-V76 HydrophobicContact CE2-CB 4.09Å; F60-V76 HydrophobicContact CE2-CG1 4.16Å; F60-V76 HydrophobicContact CZ-CB 3.77Å; F60-V76 HydrophobicContact CZ-CG1 3.78Å; F60-V76 VanDerWaalsContact CZ-O 3.31Å; F60-V76 WeakPolarHBondContact CZ-O 3.44Å; F60-H78 AromaticContact CD1-NE2 3.7Å
61E91.1Very high94.6Very high129 Ų12956.9 Ų56.960%0.60332%0.321SS*.THydrogen-bonded Turntrans-95.6-4.2176.9-61.5-55.8148.400113.3K34 P59K34-E61 WeakPolarHBondContact CD-OE1 3.38Å; K34-E61 IonicContact NZ-OE2 3.49Å; P59-E61 PolarHBondContact O-N 3.39Å; P59-E61 VanDerWaalsContact O-N 3.15Å
62A91Very high94.7Very high66 Ų6656.7 Ų56.755%0.54532%0.32SS..THydrogen-bonded Turntrans-69.2-37.7-176.800000112.6P59P59-A62 HydrophobicContact CB-CB 4.12Å; P59-A62 HydrophobicContact CG-CB 4.31Å; P59-A62 VanDerWaalsContact O-CB 3.31Å; P59-A62 WeakPolarHBondContact O-CB 3.46Å; P59-A62 PolarHBondContact O-N 3.2Å
63D91Very high94.6Very high51 Ų5157.4 Ų57.427%0.27332%0.324SS..  trans-132.3109.6-179.7-174.9-8000110.2S65 K66D63-S65 PolarHBondContact O-N 3.41Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.24Å; D63-S65 PolarHBondContact OD1-N 2.97Å; D63-S65 PolarHBondContact OD1-OG 3.29Å; D63-S65 PolarHBondContact OD2-OG 3.48Å; D63-S65 VanDerWaalsContact OD2-OG 3.05Å; D63-K66 HydrophobicContact CB-CD 4.04Å; D63-K66 HydrophobicContact CB-CG 4.03Å; D63-K66 PolarHBondContact O-N 2.99Å; D63-K66 VanDerWaalsContact OD2-CE 3.28Å; D63-K66 WeakPolarHBondContact OD2-CE 3.35Å
64P90.1Very high94.6Very high117 Ų11759 Ų5976%0.7633%0.332SS*.THydrogen-bonded Turntrans-68.9-14.4179.529.6-35000113.2K66P64-K66 VanDerWaalsContact C-N 3.32Å
65S92.5Very high94.7Very high97 Ų9757.9 Ų57.968%0.67832%0.324SS*.THydrogen-bonded Turntrans-76.5-19.2176.576.20000113D63 E67D63-S65 PolarHBondContact O-N 3.41Å; D63-S65 VanDerWaalsContact OD1-CB 3.25Å; D63-S65 WeakPolarHBondContact OD1-CB 3.24Å; D63-S65 PolarHBondContact OD1-N 2.97Å; D63-S65 PolarHBondContact OD1-OG 3.29Å; D63-S65 PolarHBondContact OD2-OG 3.48Å; D63-S65 VanDerWaalsContact OD2-OG 3.05Å; S65-E67 PolarHBondContact O-N 3.48Å
66K93.3Very high94.7Very high67 Ų6755.4 Ų55.429%0.29131%0.311SS..SBendtrans-82.3110.8179.6-66.2-176.4-172.8-175.60110.8E58 D63 P64E58-K66 IonicContact OE1-NZ 2.6Å; E58-K66 IonicContact OE2-NZ 3.77Å; E58-K66 PolarHBondContact OE2-NZ 3.25Å; D63-K66 HydrophobicContact CB-CD 4.04Å; D63-K66 HydrophobicContact CB-CG 4.03Å; D63-K66 PolarHBondContact O-N 2.99Å; D63-K66 VanDerWaalsContact OD2-CE 3.28Å; D63-K66 WeakPolarHBondContact OD2-CE 3.35Å; P64-K66 VanDerWaalsContact C-N 3.32Å
67E94.5Very high94.8Very high118 Ų11853.3 Ų53.355%0.55130%0.297SS*.  trans-66141.2171.6-172.9172.7-171.400111.1S65 H78 W79S65-E67 PolarHBondContact O-N 3.48Å; E67-H78 CarbonylContact O-C 3.57Å; E67-H78 WeakPolarHBondContact O-CA 3.45Å; E67-W79 HydrophobicContact CB-CB 4.28Å; E67-W79 HydrophobicContact CG-CB 4.44Å; E67-W79 PolarHBondContact O-N 3.06Å
68C95.9Very high94.9Very high20 Ų2046.8 Ų46.814%0.13527%0.267CS..EExtended strand (participates in β ladder)trans-112.3138.8177.9-65.70000110.3K34 F60 V76 F77K34-C68 HydrophobicContact CG-CB 4.13Å; F60-C68 VanDerWaalsContact CD1-SG 3.59Å; C68-V76 HydrophobicContact CB-CG1 4.02Å; C68-F77 CarbonylContact C-O 3.58Å; C68-F77 VanDerWaalsContact CA-O 3.28Å; C68-F77 WeakPolarHBondContact CA-O 3.49Å
69V96.2Very high94.8Very high6 Ų644.7 Ų44.74%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-113.6137175.164.90000109.5V76 F77 W79 L82 L121V69-V76 WeakPolarHBondContact O-CA 3.49Å; V69-F77 HydrophobicContact CG1-CB 4.36Å; V69-F77 PolarHBondContact N-O 2.91Å; V69-F77 PolarHBondContact O-N 3.38Å; V69-W79 HydrophobicContact CB-CE3 3.95Å; V69-W79 HydrophobicContact CG1-CE3 3.91Å; V69-W79 HydrophobicContact CG2-CE3 4.17Å; V69-W79 HydrophobicContact CG2-CZ3 4.38Å; V69-L82 HydrophobicContact CG1-CB 4.27Å; V69-L82 HydrophobicContact CG1-CD2 3.62Å; V69-L121 HydrophobicContact CG2-CD1 3.49Å; V69-L121 VanDerWaalsContact CG2-CD1 3.49Å
70R97.1Very high94.9Very high22 Ų2246.5 Ų46.58%0.08326%0.262CS..EExtended strand (participates in β ladder)trans-105.8125.7172.7-177178.7-59.2-78.7-4.6110H32 H33 C35 L74 D75 V76 V117H32-R70 PolarHBondContact O-NH2 2.87Å; H33-R70 PolarHBondContact O-NH2 3.4Å; C35-R70 PolarHBondContact O-NH1 3.34Å; C35-R70 PolarHBondContact O-NH2 3.23Å; R70-L74 PolarHBondContact NH1-O 3.46Å; R70-D75 WeakPolarHBondContact CA-O 3.38Å; R70-V76 HydrophobicContact CB-CG2 4.48Å; R70-V76 HydrophobicContact CG-CG2 4.38Å; R70-V76 VanDerWaalsContact NH2-CG2 3.34Å; R70-V117 HydrophobicContact CG-CG1 4.48Å
71L96.9Very high95Very high0 Ų047.3 Ų47.30%027%0.267CS..  trans-79.6164.4174.9-59.1-171.7000111.7C73 L74 D75 F77 L82 C100 I107 L121L71-C73 VanDerWaalsContact CB-SG 3.56Å; L71-C73 PolarHBondContact O-N 3.32Å; L71-L74 WeakPolarHBondContact O-CA 3.5Å; L71-L74 PolarHBondContact O-N 3.24Å; L71-D75 PolarHBondContact N-O 2.79Å; L71-F77 HydrophobicContact CD1-CD2 4.16Å; L71-F77 HydrophobicContact CD1-CE2 3.67Å; L71-F77 HydrophobicContact CG-CD2 4.23Å; L71-F77 HydrophobicContact CG-CE2 4.13Å; L71-L82 HydrophobicContact CD2-CD2 3.81Å; L71-C100 HydrophobicContact CD1-CB 3.81Å; L71-I107 HydrophobicContact CD1-CG1 4.1Å; L71-I107 HydrophobicContact CD2-CG2 4Å; L71-L121 HydrophobicContact CD2-CD1 4.03Å; L71-L121 HydrophobicContact CD2-CD2 4.04Å
72V95.8Very high95.2Very high47 Ų4741.1 Ų41.129%0.28524%0.238SC..THydrogen-bonded Turntrans-60.9-29.4174.8177.70000111.7L74 P109 A118 L121V72-L74 PolarHBondContact O-N 3.27Å; V72-L74 VanDerWaalsContact O-N 3.11Å; V72-P109 HydrophobicContact CG2-CB 4.1Å; V72-P109 HydrophobicContact CG2-CG 3.83Å; V72-A118 HydrophobicContact CG2-CB 4.24Å; V72-L121 HydrophobicContact CG2-CD2 3.98Å
73C95.7Very high95.4Very high32 Ų3239.3 Ų39.322%0.21622%0.219CC..THydrogen-bonded Turntrans-71.54.5172.266.50000114.5L71 D75 C103 Q105L71-C73 VanDerWaalsContact CB-SG 3.56Å; L71-C73 PolarHBondContact O-N 3.32Å; C73-D75 PolarHBondContact O-N 3.34Å; C73-D75 PolarHBondContact SG-OD2 3.17Å; C73-C103 VanDerWaalsContact CB-SG 3.53Å; C73-Q105 HydrophobicContact CB-CB 4Å; C73-Q105 HydrophobicContact CB-CG 4.13Å
74L96.7Very high95.7Very high34 Ų3440.7 Ų40.718%0.17823%0.227CC..SBendtrans72.3-2.7-179.8-47.1170.8000115.5L14 L28 R70 L71 V72L14-L74 HydrophobicContact CD2-CD1 3.54Å; L14-L74 HydrophobicContact CD2-CD2 4.39Å; L28-L74 HydrophobicContact CD2-CD2 3.69Å; R70-L74 PolarHBondContact NH1-O 3.46Å; L71-L74 WeakPolarHBondContact O-CA 3.5Å; L71-L74 PolarHBondContact O-N 3.24Å; V72-L74 PolarHBondContact O-N 3.27Å; V72-L74 VanDerWaalsContact O-N 3.11Å
75D96.6Very high96Very high15 Ų1538.3 Ų38.38%0.0820%0.203CC..  trans-68.5146.6173.6-65.5-43.6000111.2K38 R70 L71 C73 F77 C100 L102 C103K38-D75 IonicContact NZ-OD1 3.77Å; K38-D75 PolarHBondContact NZ-OD1 3.21Å; R70-D75 WeakPolarHBondContact CA-O 3.38Å; L71-D75 PolarHBondContact N-O 2.79Å; C73-D75 PolarHBondContact O-N 3.34Å; C73-D75 PolarHBondContact SG-OD2 3.17Å; D75-F77 HydrophobicContact CB-CE2 3.62Å; D75-F77 HydrophobicContact CB-CZ 4.02Å; D75-C100 PolarHBondContact OD2-SG 3.25Å; D75-C100 VanDerWaalsContact OD2-SG 3.38Å; D75-L102 HydrophobicContact CB-CD1 4.1Å; D75-C103 PolarHBondContact OD2-SG 3.19Å
76V97Very high96.1Very high8 Ų833.9 Ų33.95%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-118138.6-177.1-172.20000109.2F60 C68 V69 R70F60-V76 HydrophobicContact CD1-CG1 4.35Å; F60-V76 HydrophobicContact CE1-CB 4.34Å; F60-V76 HydrophobicContact CE1-CG1 3.87Å; F60-V76 HydrophobicContact CE2-CB 4.09Å; F60-V76 HydrophobicContact CE2-CG1 4.16Å; F60-V76 HydrophobicContact CZ-CB 3.77Å; F60-V76 HydrophobicContact CZ-CG1 3.78Å; F60-V76 VanDerWaalsContact CZ-O 3.31Å; F60-V76 WeakPolarHBondContact CZ-O 3.44Å; C68-V76 HydrophobicContact CB-CG1 4.02Å; V69-V76 WeakPolarHBondContact O-CA 3.49Å; R70-V76 HydrophobicContact CB-CG2 4.48Å; R70-V76 HydrophobicContact CG-CG2 4.38Å; R70-V76 VanDerWaalsContact NH2-CG2 3.34Å
77F97.4Very high96.1Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-138.9157.1176.2-57-91.5000109.4S54 I55 C68 V69 L71 D75 W79 L82 P101 L102S54-F77 VanDerWaalsContact OG-CE1 3.25Å; S54-F77 WeakPolarHBondContact OG-CE1 3.36Å; I55-F77 HydrophobicContact CD1-CD1 3.68Å; I55-F77 HydrophobicContact CD1-CE1 4.23Å; I55-F77 HydrophobicContact CD1-CG 4.45Å; I55-F77 HydrophobicContact CG1-CD1 3.95Å; I55-F77 HydrophobicContact CG1-CE1 4.26Å; C68-F77 CarbonylContact C-O 3.58Å; C68-F77 VanDerWaalsContact CA-O 3.28Å; C68-F77 WeakPolarHBondContact CA-O 3.49Å; V69-F77 HydrophobicContact CG1-CB 4.36Å; V69-F77 PolarHBondContact N-O 2.91Å; V69-F77 PolarHBondContact O-N 3.38Å; L71-F77 HydrophobicContact CD1-CD2 4.16Å; L71-F77 HydrophobicContact CD1-CE2 3.67Å; L71-F77 HydrophobicContact CG-CD2 4.23Å; L71-F77 HydrophobicContact CG-CE2 4.13Å; D75-F77 HydrophobicContact CB-CE2 3.62Å; D75-F77 HydrophobicContact CB-CZ 4.02Å; F77-W79 PolarHBondContact O-N 3.28Å; F77-L82 HydrophobicContact CB-CB 4.19Å; F77-L82 HydrophobicContact CD2-CD1 4.29Å; F77-L82 HydrophobicContact CG-CD1 4.39Å; F77-P101 HydrophobicContact CE1-CB 4.4Å; F77-P101 HydrophobicContact CE1-CG 4.15Å; F77-P101 HydrophobicContact CZ-CG 4.39Å; F77-L102 HydrophobicContact CE1-CD1 4.11Å; F77-L102 HydrophobicContact CE1-CG 4.17Å; F77-L102 HydrophobicContact CZ-CB 4.45Å; F77-L102 HydrophobicContact CZ-CD1 3.81Å; F77-L102 HydrophobicContact CZ-CG 3.94Å
78H97.1Very high96Very high4 Ų434.5 Ų34.52%0.01919%0.188CC..EExtended strand (participates in β ladder)trans-63.5134.8160.3-62.2123.4000108.7C53 C56 F60 E67 N80 C81 L82C53-H78 VanDerWaalsContact CB-ND1 3.29Å; C53-H78 WeakPolarHBondContact CB-ND1 3.38Å; C53-H78 PolarHBondContact SG-N 3.09Å; C56-H78 PolarHBondContact SG-ND1 3.4Å; F60-H78 AromaticContact CD1-NE2 3.7Å; E67-H78 CarbonylContact O-C 3.57Å; E67-H78 WeakPolarHBondContact O-CA 3.45Å; H78-N80 VanDerWaalsContact C-N 3.32Å; H78-N80 PolarHBondContact O-N 3.25Å; H78-C81 HydrophobicContact CB-CB 4.02Å; H78-C81 WeakPolarHBondContact O-CB 3.28Å; H78-C81 PolarHBondContact O-N 3.18Å; H78-L82 PolarHBondContact O-N 3.28Å
79W95.9Very high95.9Very high37 Ų3735.4 Ų35.414%0.1419%0.191CC..Hα-helixtrans-54.7-49-178.2172.1-126.1000111.7E67 V69 F77 C81 L82 N83 L125 V128E67-W79 HydrophobicContact CB-CB 4.28Å; E67-W79 HydrophobicContact CG-CB 4.44Å; E67-W79 PolarHBondContact O-N 3.06Å; V69-W79 HydrophobicContact CB-CE3 3.95Å; V69-W79 HydrophobicContact CG1-CE3 3.91Å; V69-W79 HydrophobicContact CG2-CE3 4.17Å; V69-W79 HydrophobicContact CG2-CZ3 4.38Å; F77-W79 PolarHBondContact O-N 3.28Å; W79-C81 VanDerWaalsContact C-N 3.3Å; W79-C81 PolarHBondContact O-N 3.37Å; W79-L82 PolarHBondContact O-N 2.83Å; W79-N83 WeakPolarHBondContact O-CB 3.4Å; W79-N83 PolarHBondContact O-N 3Å; W79-L125 HydrophobicContact CH2-CD2 4.12Å; W79-L125 HydrophobicContact CZ3-CD2 4.19Å; W79-V128 HydrophobicContact CH2-CG1 4.13Å; W79-V128 HydrophobicContact CH2-CG2 3.7Å; W79-V128 HydrophobicContact CZ2-CB 4.46Å; W79-V128 HydrophobicContact CZ2-CG1 3.61Å; W79-V128 HydrophobicContact CZ2-CG2 3.98Å
80N96.1Very high95.7Very high104 Ų10438.7 Ų38.756%0.55621%0.213SC*.Hα-helixtrans-60.3-38.2177.7-172.253.6000112.7H78 N83 N84H78-N80 VanDerWaalsContact C-N 3.32Å; H78-N80 PolarHBondContact O-N 3.25Å; N80-N83 PolarHBondContact O-N 3.49Å; N80-N84 PolarHBondContact ND2-ND2 3Å; N80-N84 WeakPolarHBondContact O-CB 3.36Å; N80-N84 PolarHBondContact O-N 3.5Å; N80-N84 PolarHBondContact O-ND2 3.49Å; N80-N84 VanDerWaalsContact O-ND2 3.11Å; N80-N84 PolarHBondContact OD1-ND2 2.93Å
81C97.1Very high95.2Very high19 Ų1944.3 Ų44.313%0.12825%0.252CS..Hα-helixtrans-66.2-43.9177.5-67.40000111.8I55 H78 W79 Y85I55-C81 HydrophobicContact CB-CB 3.95Å; I55-C81 HydrophobicContact CD1-CB 3.97Å; I55-C81 HydrophobicContact CG2-CB 3.96Å; H78-C81 HydrophobicContact CB-CB 4.02Å; H78-C81 WeakPolarHBondContact O-CB 3.28Å; H78-C81 PolarHBondContact O-N 3.18Å; W79-C81 VanDerWaalsContact C-N 3.3Å; W79-C81 PolarHBondContact O-N 3.37Å; C81-Y85 WeakPolarHBondContact O-CB 3.42Å; C81-Y85 PolarHBondContact O-N 2.68Å
82L96.3Very high94.8Very high0 Ų050.1 Ų50.10%029%0.288CS..Hα-helixtrans-65-43.8176.6-173.971.7000111.3V69 L71 F77 H78 W79 Y85 V86 I107V69-L82 HydrophobicContact CG1-CB 4.27Å; V69-L82 HydrophobicContact CG1-CD2 3.62Å; L71-L82 HydrophobicContact CD2-CD2 3.81Å; F77-L82 HydrophobicContact CB-CB 4.19Å; F77-L82 HydrophobicContact CD2-CD1 4.29Å; F77-L82 HydrophobicContact CG-CD1 4.39Å; H78-L82 PolarHBondContact O-N 3.28Å; W79-L82 PolarHBondContact O-N 2.83Å; L82-Y85 WeakPolarHBondContact O-CB 3.45Å; L82-Y85 PolarHBondContact O-N 2.92Å; L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 3.26Å; L82-I107 HydrophobicContact CD1-CD1 3.9Å; L82-I107 HydrophobicContact CD2-CG2 4.29Å
83N95.4Very high94.6Very high27 Ų2749.7 Ų49.714%0.14429%0.285CS..Hα-helixtrans-61.5-46.8179.2-174.252.7000111.7W79 N80 Y85 V86 I87 W130W79-N83 WeakPolarHBondContact O-CB 3.4Å; W79-N83 PolarHBondContact O-N 3Å; N80-N83 PolarHBondContact O-N 3.49Å; N83-Y85 VanDerWaalsContact C-N 3.32Å; N83-Y85 PolarHBondContact O-N 2.98Å; N83-V86 PolarHBondContact O-N 3.46Å; N83-I87 VanDerWaalsContact O-CG1 3.29Å; N83-I87 WeakPolarHBondContact O-CG1 3.48Å; N83-I87 PolarHBondContact O-N 3.11Å; N83-W130 PolarHBondContact OD1-NE1 3.45Å
84N96Very high94.3Very high80 Ų8052.4 Ų52.443%0.42830%0.301SS..Hα-helixtrans-64.5-37.2176.8-68.7-24.8000112.3N80 I87 S88N80-N84 PolarHBondContact ND2-ND2 3Å; N80-N84 WeakPolarHBondContact O-CB 3.36Å; N80-N84 PolarHBondContact O-N 3.5Å; N80-N84 PolarHBondContact O-ND2 3.49Å; N80-N84 VanDerWaalsContact O-ND2 3.11Å; N80-N84 PolarHBondContact OD1-ND2 2.93Å; N84-I87 PolarHBondContact O-N 3.39Å; N84-S88 WeakPolarHBondContact O-CB 3.44Å; N84-S88 PolarHBondContact O-N 3.08Å
85Y96Very high93.8Very high67 Ų6753.5 Ų53.526%0.26331%0.31SS..Hα-helixtrans-59.1-48.7173.7168.5-101.2000111.3C81 L82 N83 I87 S88 L89 L99 P101C81-Y85 WeakPolarHBondContact O-CB 3.42Å; C81-Y85 PolarHBondContact O-N 2.68Å; L82-Y85 WeakPolarHBondContact O-CB 3.45Å; L82-Y85 PolarHBondContact O-N 2.92Å; N83-Y85 VanDerWaalsContact C-N 3.32Å; N83-Y85 PolarHBondContact O-N 2.98Å; Y85-I87 PolarHBondContact O-N 2.77Å; Y85-S88 PolarHBondContact O-N 2.96Å; Y85-S88 PolarHBondContact O-OG 3.06Å; Y85-L89 HydrophobicContact CE1-CD1 4.43Å; Y85-L99 WeakPolarHBondContact CE1-O 3.43Å; Y85-P101 HydrophobicContact CD1-CG 3.88Å; Y85-P101 HydrophobicContact CD2-CG 4.33Å; Y85-P101 HydrophobicContact CE1-CG 3.7Å; Y85-P101 HydrophobicContact CE2-CG 4.15Å; Y85-P101 HydrophobicContact CG-CG 4.19Å
86V94.8Very high93.3Very high5 Ų556.2 Ų56.23%0.0334%0.335CS..Hα-helixtrans-65.5-41.1180175.20000111.9L82 N83 S88 L89 F98 I107 W130L82-V86 WeakPolarHBondContact O-CG2 3.4Å; L82-V86 PolarHBondContact O-N 3.26Å; N83-V86 PolarHBondContact O-N 3.46Å; V86-S88 PolarHBondContact O-N 3.46Å; V86-L89 WeakPolarHBondContact O-CB 3.36Å; V86-L89 PolarHBondContact O-N 3.14Å; V86-L89 VanDerWaalsContact O-N 3.14Å; V86-F98 HydrophobicContact CG1-CD1 3.54Å; V86-F98 HydrophobicContact CG1-CD2 4.47Å; V86-F98 HydrophobicContact CG1-CE1 3.61Å; V86-F98 HydrophobicContact CG1-CG 4.01Å; V86-F98 HydrophobicContact CG1-CZ 4.14Å; V86-I107 HydrophobicContact CG2-CD1 3.71Å; V86-W130 HydrophobicContact CB-CD2 4.36Å; V86-W130 HydrophobicContact CB-CH2 4.34Å; V86-W130 HydrophobicContact CB-CZ2 4.11Å; V86-W130 HydrophobicContact CG1-CD2 3.55Å; V86-W130 HydrophobicContact CG1-CE3 3.6Å; V86-W130 HydrophobicContact CG1-CG 4.07Å; V86-W130 HydrophobicContact CG1-CH2 4.19Å; V86-W130 HydrophobicContact CG1-CZ2 4.14Å; V86-W130 HydrophobicContact CG1-CZ3 3.93Å; V86-W130 HydrophobicContact CG2-CH2 3.95Å; V86-W130 HydrophobicContact CG2-CZ2 4.1Å; V86-W130 HydrophobicContact CG2-CZ3 4.29Å
87I92.8Very high93Very high108 Ų10857.2 Ų57.255%0.55435%0.347SS*.Hα-helixtrans-64.1-27.7177.2-67.7166.7000111.8N83 N84 Y85 L89N83-I87 VanDerWaalsContact O-CG1 3.29Å; N83-I87 WeakPolarHBondContact O-CG1 3.48Å; N83-I87 PolarHBondContact O-N 3.11Å; N84-I87 PolarHBondContact O-N 3.39Å; Y85-I87 PolarHBondContact O-N 2.77Å; I87-L89 VanDerWaalsContact C-N 3.28Å; I87-L89 PolarHBondContact O-N 2.75Å
88S94Very high92.9Very high89 Ų8958 Ų5862%0.62235%0.35SS*.THydrogen-bonded Turntrans-76-12.2177.276.90000114.4N84 Y85 V86N84-S88 WeakPolarHBondContact O-CB 3.44Å; N84-S88 PolarHBondContact O-N 3.08Å; Y85-S88 PolarHBondContact O-N 2.96Å; Y85-S88 PolarHBondContact O-OG 3.06Å; V86-S88 PolarHBondContact O-N 3.46Å
89L92.9Very high92.8Very high40 Ų4061 Ų6121%0.20937%0.366CS..SBendtrans-70.3156178-64.5172000111Y85 V86 I87 T93 F98Y85-L89 HydrophobicContact CE1-CD1 4.43Å; V86-L89 WeakPolarHBondContact O-CB 3.36Å; V86-L89 PolarHBondContact O-N 3.14Å; V86-L89 VanDerWaalsContact O-N 3.14Å; I87-L89 VanDerWaalsContact C-N 3.28Å; I87-L89 PolarHBondContact O-N 2.75Å; L89-T93 HydrophobicContact CD1-CG2 4.39Å; L89-F98 HydrophobicContact CD1-CD1 3.74Å; L89-F98 HydrophobicContact CD1-CE1 4.29Å
90P92.1Very high92.9Very high75 Ų7559.3 Ų59.349%0.48736%0.36SS..  trans-53.6140.4177.2-26.534.8000111.7T92 T93P90-T92 PolarHBondContact O-N 2.81Å; P90-T93 VanDerWaalsContact O-CB 3.24Å; P90-T93 WeakPolarHBondContact O-CB 3.44Å; P90-T93 PolarHBondContact O-N 3.35Å; P90-T93 PolarHBondContact O-OG1 3.33Å
91P86Confident92.8Very high140 Ų14056.8 Ų56.891%0.90935%0.349SS*.THydrogen-bonded Turntrans-64.6-10.6-178.426.2-34.9000113.6T93P91-T93 VanDerWaalsContact C-N 3.3Å
92T90.1Very high92.7Very high122 Ų12260.5 Ų60.575%0.74837%0.367SS*.THydrogen-bonded Turntrans-85.41.3173.553.90000113.5P90 T94P90-T92 PolarHBondContact O-N 2.81Å; T92-T94 PolarHBondContact O-N 3.22Å
93T91.1Very high92.6Very high37 Ų3763.4 Ų63.423%0.22739%0.387CS..  trans-70.4118.1-178.4-55.70000109.8L89 P90 P91 F98L89-T93 HydrophobicContact CD1-CG2 4.39Å; P90-T93 VanDerWaalsContact O-CB 3.24Å; P90-T93 WeakPolarHBondContact O-CB 3.44Å; P90-T93 PolarHBondContact O-N 3.35Å; P90-T93 PolarHBondContact O-OG1 3.33Å; P91-T93 VanDerWaalsContact C-N 3.3Å; T93-F98 HydrophobicContact CG2-CD1 3.74Å; T93-F98 HydrophobicContact CG2-CE1 3.66Å
94T88.4Confident92.6Very high90 Ų9063.9 Ų63.955%0.55240%0.398SS*.  trans-72.7161.6174.959.90000110.7T92 A96 G97T92-T94 PolarHBondContact O-N 3.22Å; T94-A96 PolarHBondContact O-N 3.45Å; T94-A96 VanDerWaalsContact O-N 3.09Å; T94-G97 WeakPolarHBondContact O-CA 3.38Å; T94-G97 PolarHBondContact O-N 3.4Å
95P86Confident92.5Very high57 Ų5765.3 Ų65.337%0.3740%0.402SS..G310 helixtrans-52.7-34.2178.8-30.737000114.9G97 F98 I108P95-G97 PolarHBondContact O-N 3.11Å; P95-F98 PolarHBondContact O-N 2.89Å; P95-I108 HydrophobicContact CB-CD1 3.83Å
96A86.4Confident92.5Very high72 Ų7264.8 Ų64.860%0.59541%0.407SS*.G310 helixtrans-68.4-20.2175.700000113.6T94 L99T94-A96 PolarHBondContact O-N 3.45Å; T94-A96 VanDerWaalsContact O-N 3.09Å; A96-L99 WeakPolarHBondContact O-CD2 3.39Å
97G91.5Very high92.5Very high29 Ų2964.5 Ų64.530%0.29941%0.405SS..G310 helixtrans-85-5.6178.900000114.6T94 P95 L99T94-G97 WeakPolarHBondContact O-CA 3.38Å; T94-G97 PolarHBondContact O-N 3.4Å; P95-G97 PolarHBondContact O-N 3.11Å; G97-L99 PolarHBondContact O-N 3.36Å; G97-L99 VanDerWaalsContact O-N 3.08Å
98F94.2Very high92.6Very high17 Ų1759.9 Ų59.98%0.07538%0.382CS..  trans-78.193.4171.2-58-40000109.3V86 L89 T93 P95 P106 I107 I108 W130V86-F98 HydrophobicContact CG1-CD1 3.54Å; V86-F98 HydrophobicContact CG1-CD2 4.47Å; V86-F98 HydrophobicContact CG1-CE1 3.61Å; V86-F98 HydrophobicContact CG1-CG 4.01Å; V86-F98 HydrophobicContact CG1-CZ 4.14Å; L89-F98 HydrophobicContact CD1-CD1 3.74Å; L89-F98 HydrophobicContact CD1-CE1 4.29Å; T93-F98 HydrophobicContact CG2-CD1 3.74Å; T93-F98 HydrophobicContact CG2-CE1 3.66Å; P95-F98 PolarHBondContact O-N 2.89Å; F98-P106 CarbonylContact O-C 3.49Å; F98-P106 WeakPolarHBondContact O-CA 3.49Å; F98-I107 HydrophobicContact CB-CB 4.3Å; F98-I107 HydrophobicContact CB-CD1 4.25Å; F98-I107 WeakPolarHBondContact O-CB 3.49Å; F98-I107 WeakPolarHBondContact O-CG1 3.36Å; F98-I107 PolarHBondContact O-N 3.03Å; F98-I108 HydrophobicContact CD2-CD1 3.62Å; F98-I108 HydrophobicContact CE2-CD1 4.31Å; F98-W130 AromaticContact CD2-CE3 3.83Å; F98-W130 HydrophobicContact CD2-CE3 3.83Å; F98-W130 HydrophobicContact CD2-CZ3 4.03Å; F98-W130 AromaticContact CE2-CE3 3.83Å; F98-W130 HydrophobicContact CE2-CE3 3.83Å; F98-W130 HydrophobicContact CE2-CZ3 4.49Å; F98-W130 HydrophobicContact CG-CE3 4.44Å; F98-W130 HydrophobicContact CG-CZ3 4.44Å; F98-W130 HydrophobicContact CZ-CE3 4.43Å
99L96Very high92.6Very high65 Ų6555.8 Ų55.834%0.3435%0.353SS..BIsolated β-bridgetrans-106.5147-173.1-55.9-178.3000112Y85 A96 G97 P101 G104 Q105 P106 I107Y85-L99 WeakPolarHBondContact CE1-O 3.43Å; A96-L99 WeakPolarHBondContact O-CD2 3.39Å; G97-L99 PolarHBondContact O-N 3.36Å; G97-L99 VanDerWaalsContact O-N 3.08Å; L99-P101 WeakPolarHBondContact O-CD 3.29Å; L99-G104 WeakPolarHBondContact CD2-O 3.38Å; L99-Q105 CarbonylContact C-O 3.59Å; L99-Q105 WeakPolarHBondContact CA-O 3.49Å; L99-P106 HydrophobicContact CD2-CG 4.45Å; L99-I107 WeakPolarHBondContact O-CD1 3.25Å
100C96.9Very high92.4Very high3 Ų358.8 Ų58.82%0.0237%0.366CS..  trans-61.5126.3173.6175.10000110L71 D75 L102 C103 G104 Q105L71-C100 HydrophobicContact CD1-CB 3.81Å; D75-C100 PolarHBondContact OD2-SG 3.25Å; D75-C100 VanDerWaalsContact OD2-SG 3.38Å; C100-L102 PolarHBondContact O-N 2.96Å; C100-L102 PolarHBondContact SG-N 2.92Å; C100-C103 PolarHBondContact O-N 3.49Å; C100-C103 VanDerWaalsContact SG-SG 3.62Å; C100-G104 WeakPolarHBondContact O-CA 3.2Å; C100-G104 PolarHBondContact O-N 2.92Å; C100-Q105 WeakPolarHBondContact CB-O 3.41Å; C100-Q105 PolarHBondContact N-O 3.45Å
101P95.1Very high92.1Very high50 Ų5057.7 Ų57.733%0.32536%0.363SS..THydrogen-bonded Turntrans-58.8-21.4179-25.232.6000115I55 F77 Y85 L99I55-P101 HydrophobicContact CD1-CG 4.32Å; I55-P101 HydrophobicContact CG1-CG 4.5Å; F77-P101 HydrophobicContact CE1-CB 4.4Å; F77-P101 HydrophobicContact CE1-CG 4.15Å; F77-P101 HydrophobicContact CZ-CG 4.39Å; Y85-P101 HydrophobicContact CD1-CG 3.88Å; Y85-P101 HydrophobicContact CD2-CG 4.33Å; Y85-P101 HydrophobicContact CE1-CG 3.7Å; Y85-P101 HydrophobicContact CE2-CG 4.15Å; Y85-P101 HydrophobicContact CG-CG 4.19Å; L99-P101 WeakPolarHBondContact O-CD 3.29Å
102L94Very high92.2Very high98 Ų9857 Ų5751%0.51335%0.352SS..THydrogen-bonded Turntrans-95.1-38.5-175.3-72176.8000114.2D75 F77 C100D75-L102 HydrophobicContact CB-CD1 4.1Å; F77-L102 HydrophobicContact CE1-CD1 4.11Å; F77-L102 HydrophobicContact CE1-CG 4.17Å; F77-L102 HydrophobicContact CZ-CB 4.45Å; F77-L102 HydrophobicContact CZ-CD1 3.81Å; F77-L102 HydrophobicContact CZ-CG 3.94Å; C100-L102 PolarHBondContact O-N 2.96Å; C100-L102 PolarHBondContact SG-N 2.92Å
103C94.6Very high92.2Very high60 Ų6054.5 Ų54.541%0.40533%0.332SS..THydrogen-bonded Turntrans-128.2-2.5-173.363.90000114.6C73 D75 C100 Q105C73-C103 VanDerWaalsContact CB-SG 3.53Å; D75-C103 PolarHBondContact OD2-SG 3.19Å; C100-C103 PolarHBondContact O-N 3.49Å; C100-C103 VanDerWaalsContact SG-SG 3.62Å; C103-Q105 PolarHBondContact O-N 3.43Å
104G95.2Very high92.1Very high38 Ų3855.6 Ų55.639%0.39235%0.35SS..  trans69.510.6179.100000115L99 C100L99-G104 WeakPolarHBondContact CD2-O 3.38Å; C100-G104 WeakPolarHBondContact O-CA 3.2Å; C100-G104 PolarHBondContact O-N 2.92Å
105Q94.9Very high92.4Very high110 Ų11052.8 Ų52.851%0.51434%0.34SS..  trans-76.5148.3175-68-61.6-62.200111.4C73 L99 C100 C103 I107C73-Q105 HydrophobicContact CB-CB 4Å; C73-Q105 HydrophobicContact CB-CG 4.13Å; L99-Q105 CarbonylContact C-O 3.59Å; L99-Q105 WeakPolarHBondContact CA-O 3.49Å; C100-Q105 WeakPolarHBondContact CB-O 3.41Å; C100-Q105 PolarHBondContact N-O 3.45Å; C103-Q105 PolarHBondContact O-N 3.43Å; Q105-I107 PolarHBondContact O-N 3.44Å
106P94.6Very high92.8Very high55 Ų5551.5 Ų51.536%0.35733%0.331SS..BIsolated β-bridgetrans-55.6133.5176.7-24.734.1000112.4F98 L99F98-P106 CarbonylContact O-C 3.49Å; F98-P106 WeakPolarHBondContact O-CA 3.49Å; L99-P106 HydrophobicContact CD2-CG 4.45Å
107I96Very high93.3Very high0 Ų048.6 Ų48.60%031%0.306CS..SBendtrans-68.8-41.1175.3-68.5169.9000109.7L71 L82 V86 F98 L99 Q105 P109 L121 L125 W130L71-I107 HydrophobicContact CD1-CG1 4.1Å; L71-I107 HydrophobicContact CD2-CG2 4Å; L82-I107 HydrophobicContact CD1-CD1 3.9Å; L82-I107 HydrophobicContact CD2-CG2 4.29Å; V86-I107 HydrophobicContact CG2-CD1 3.71Å; F98-I107 HydrophobicContact CB-CB 4.3Å; F98-I107 HydrophobicContact CB-CD1 4.25Å; F98-I107 WeakPolarHBondContact O-CB 3.49Å; F98-I107 WeakPolarHBondContact O-CG1 3.36Å; F98-I107 PolarHBondContact O-N 3.03Å; L99-I107 WeakPolarHBondContact O-CD1 3.25Å; Q105-I107 PolarHBondContact O-N 3.44Å; I107-P109 WeakPolarHBondContact O-CD 3.17Å; I107-L121 WeakPolarHBondContact O-CD2 3.31Å; I107-L125 HydrophobicContact CG2-CD2 4.43Å; I107-W130 HydrophobicContact CG2-CH2 4.16Å; I107-W130 HydrophobicContact CG2-CZ3 4.49Å
108I94.6Very high93.5Very high10 Ų1047.4 Ų47.45%0.05129%0.293CS..SBendtrans-78.9122.4179.2-62.7156.1000109.5P95 F98 L125 S134 L135 I138P95-I108 HydrophobicContact CB-CD1 3.83Å; F98-I108 HydrophobicContact CD2-CD1 3.62Å; F98-I108 HydrophobicContact CE2-CD1 4.31Å; I108-L125 HydrophobicContact CG1-CD1 4.44Å; I108-S134 WeakPolarHBondContact CD1-OG 3.48Å; I108-L135 HydrophobicContact CG2-CD2 4.04Å; I108-I138 HydrophobicContact CG2-CD1 3.63Å
109P92.8Very high93.5Very high4 Ų452.2 Ų52.23%0.02632%0.316CS..PPolyproline II helixtrans-61.5135.3173.6-21.632.5000112V72 I107 H113 A118 L121 R122V72-P109 HydrophobicContact CG2-CB 4.1Å; V72-P109 HydrophobicContact CG2-CG 3.83Å; I107-P109 WeakPolarHBondContact O-CD 3.17Å; P109-H113 HydrophobicContact CB-CB 4.34Å; P109-A118 HydrophobicContact CB-CB 4.42Å; P109-L121 HydrophobicContact CG-CB 4.41Å; P109-L121 HydrophobicContact CG-CD2 3.83Å; P109-L121 HydrophobicContact CG-CG 4.19Å; P109-R122 HydrophobicContact CG-CG 4.21Å
110Q89.8Confident93.4Very high102 Ų10250.7 Ų50.748%0.47731%0.313SS..PPolyproline II helixtrans-67.1166.4170.5-51.9176.6-3900111.4N112 H113 R122Q110-N112 VanDerWaalsContact C-N 3.28Å; Q110-N112 VanDerWaalsContact CB-OD1 3.26Å; Q110-N112 WeakPolarHBondContact CB-OD1 3.29Å; Q110-N112 PolarHBondContact O-N 3.02Å; Q110-N112 PolarHBondContact OE1-OD1 2.83Å; Q110-H113 WeakPolarHBondContact CB-ND1 3.39Å; Q110-H113 PolarHBondContact O-N 3Å; Q110-H113 VanDerWaalsContact O-N 3.15Å; Q110-H113 PolarHBondContact OE1-CE1 3.28Å; Q110-H113 PolarHBondContact OE1-ND1 3.44Å; Q110-R122 PolarHBondContact O-NH2 2.83Å
111A86.6Confident93.4Very high52 Ų5250.7 Ų50.743%0.4331%0.313SS..THydrogen-bonded Turntrans-60.5-37.1-17600000113.3H113 I138A111-H113 VanDerWaalsContact C-N 3.35Å; A111-I138 HydrophobicContact CB-CG2 3.59Å; A111-I138 WeakPolarHBondContact CB-O 3.36Å; A111-I138 VanDerWaalsContact N-CG2 3.29Å
112N88.2Confident93.3Very high127 Ų12750.6 Ų50.668%0.67931%0.306SS*.THydrogen-bonded Turntrans-81.3-10-177.863.3-15.2000113.7Q110 G114Q110-N112 VanDerWaalsContact C-N 3.28Å; Q110-N112 VanDerWaalsContact CB-OD1 3.26Å; Q110-N112 WeakPolarHBondContact CB-OD1 3.29Å; Q110-N112 PolarHBondContact O-N 3.02Å; Q110-N112 PolarHBondContact OE1-OD1 2.83Å; N112-G114 PolarHBondContact O-N 3.01Å
113H89.1Confident93.3Very high68 Ų6849.3 Ų49.332%0.31531%0.305SS..  trans-7589.5178.1-78.977.2000109.9P109 Q110 A111 A118 R122P109-H113 HydrophobicContact CB-CB 4.34Å; Q110-H113 WeakPolarHBondContact CB-ND1 3.39Å; Q110-H113 PolarHBondContact O-N 3Å; Q110-H113 VanDerWaalsContact O-N 3.15Å; Q110-H113 PolarHBondContact OE1-CE1 3.28Å; Q110-H113 PolarHBondContact OE1-ND1 3.44Å; A111-H113 VanDerWaalsContact C-N 3.35Å; H113-A118 HydrophobicContact CB-CB 4.35Å; H113-A118 VanDerWaalsContact O-CB 3.27Å; H113-A118 WeakPolarHBondContact O-CB 3.49Å; H113-R122 PolarHBondContact O-NH1 2.96Å; H113-R122 PolarHBondContact O-NH2 2.99Å
114G89.9Confident93.2Very high60 Ų6048 Ų4862%0.61930%0.296SS*.  trans-76.9168.6168.800000112.2N112N112-G114 PolarHBondContact O-N 3.01Å
115G93Very high93.2Very high32 Ų3246.2 Ų46.233%0.3328%0.277SS..SBendtrans118.5157.9171.300000113.6V117 A118 E119G115-V117 PolarHBondContact O-N 3.27Å; G115-A118 PolarHBondContact O-N 3.01Å; G115-E119 PolarHBondContact O-N 3.3Å
116P95.2Very high93.1Very high29 Ų2943.8 Ų43.819%0.18827%0.273CS..Hα-helixtrans-57.5-35.1-177.2-25.835.1000114E25 F26 V29 A120E25-P116 HydrophobicContact CB-CG 4.17Å; E25-P116 WeakPolarHBondContact OE2-CD 3.2Å; F26-P116 HydrophobicContact CD1-CB 4.28Å; F26-P116 HydrophobicContact CD1-CG 3.58Å; F26-P116 HydrophobicContact CD2-CG 3.85Å; F26-P116 HydrophobicContact CE1-CB 4.44Å; F26-P116 HydrophobicContact CE1-CG 3.46Å; F26-P116 VanDerWaalsContact CE1-CG 3.46Å; F26-P116 HydrophobicContact CE2-CG 3.68Å; F26-P116 HydrophobicContact CG-CG 3.78Å; F26-P116 HydrophobicContact CZ-CG 3.51Å; V29-P116 HydrophobicContact CG2-CB 4.06Å; P116-A120 VanDerWaalsContact O-CB 3.31Å; P116-A120 WeakPolarHBondContact O-CB 3.46Å; P116-A120 PolarHBondContact O-N 3.02Å
117V96.1Very high92.9Very high12 Ų1248 Ų487%0.07329%0.288CS..Hα-helixtrans-69.4-45.8-178.8-1780000110.8E25 L28 V29 R70 G115 E119 A120 L121E25-V117 HydrophobicContact CB-CG2 4.14Å; E25-V117 HydrophobicContact CG-CG2 4.31Å; L28-V117 HydrophobicContact CB-CG2 4.46Å; L28-V117 HydrophobicContact CD2-CG2 3.79Å; L28-V117 HydrophobicContact CG-CG2 4.44Å; V29-V117 HydrophobicContact CG2-CB 4.49Å; V29-V117 HydrophobicContact CG2-CG2 4.03Å; R70-V117 HydrophobicContact CG-CG1 4.48Å; G115-V117 PolarHBondContact O-N 3.27Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 2.89Å; V117-A120 PolarHBondContact O-N 3.27Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 3.24Å
118A95.9Very high92.7Very high4 Ų449 Ų493%0.03329%0.293CS..Hα-helixtrans-63.6-40.3177.200000111V72 P109 H113 G115 L121 R122V72-A118 HydrophobicContact CG2-CB 4.24Å; P109-A118 HydrophobicContact CB-CB 4.42Å; H113-A118 HydrophobicContact CB-CB 4.35Å; H113-A118 VanDerWaalsContact O-CB 3.27Å; H113-A118 WeakPolarHBondContact O-CB 3.49Å; G115-A118 PolarHBondContact O-N 3.01Å; A118-L121 PolarHBondContact O-N 2.91Å; A118-R122 WeakPolarHBondContact O-CG 3.45Å; A118-R122 PolarHBondContact O-N 3.19Å
119E94.8Very high92.4Very high117 Ų11751.5 Ų51.555%0.54732%0.322SS..Hα-helixtrans-66.9-45.6178-168.659.4-161.400112.7G115 V117 L121 R122 S123G115-E119 PolarHBondContact O-N 3.3Å; V117-E119 VanDerWaalsContact C-N 3.31Å; V117-E119 PolarHBondContact O-N 2.89Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 2.65Å; E119-R122 PolarHBondContact O-N 3.45Å; E119-R122 IonicContact OE2-NH1 3.83Å; E119-R122 PolarHBondContact OE2-NH1 2.65Å; E119-S123 PolarHBondContact O-N 3.19Å
120A94.6Very high92.3Very high34 Ų3453.7 Ų53.728%0.28133%0.33SS..Hα-helixtrans-58.8-42.7174.400000111.4V29 P116 V117 S123 C124V29-A120 HydrophobicContact CG1-CB 3.76Å; V29-A120 HydrophobicContact CG2-CB 4.12Å; P116-A120 VanDerWaalsContact O-CB 3.31Å; P116-A120 WeakPolarHBondContact O-CB 3.46Å; P116-A120 PolarHBondContact O-N 3.02Å; V117-A120 PolarHBondContact O-N 3.27Å; A120-S123 WeakPolarHBondContact O-CB 3.37Å; A120-S123 PolarHBondContact O-N 2.89Å; A120-C124 PolarHBondContact O-N 3.46Å; A120-C124 VanDerWaalsContact O-N 3.13Å; A120-C124 PolarHBondContact O-SG 3.06Å; A120-C124 VanDerWaalsContact O-SG 3.37Å
121L95.7Very high92.3Very high2 Ų248.9 Ų48.91%0.0131%0.307CS..Hα-helixtrans-65.6-42.1177.3-176.158.5000112.4V69 L71 V72 I107 P109 V117 A118 E119 S123 C124 L125V69-L121 HydrophobicContact CG2-CD1 3.49Å; V69-L121 VanDerWaalsContact CG2-CD1 3.49Å; L71-L121 HydrophobicContact CD2-CD1 4.03Å; L71-L121 HydrophobicContact CD2-CD2 4.04Å; V72-L121 HydrophobicContact CG2-CD2 3.98Å; I107-L121 WeakPolarHBondContact O-CD2 3.31Å; P109-L121 HydrophobicContact CG-CB 4.41Å; P109-L121 HydrophobicContact CG-CD2 3.83Å; P109-L121 HydrophobicContact CG-CG 4.19Å; V117-L121 WeakPolarHBondContact O-CB 3.42Å; V117-L121 PolarHBondContact O-N 3.24Å; A118-L121 PolarHBondContact O-N 2.91Å; E119-L121 VanDerWaalsContact C-N 3.29Å; E119-L121 PolarHBondContact O-N 2.65Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.24Å; L121-C124 PolarHBondContact O-N 3.19Å; L121-L125 HydrophobicContact CD1-CD1 4.15Å; L121-L125 HydrophobicContact CD1-CG 4.03Å; L121-L125 HydrophobicContact CD2-CD1 4.45Å; L121-L125 HydrophobicContact CG-CD1 3.84Å; L121-L125 HydrophobicContact CG-CG 4.18Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 2.88Å
122R94.7Very high92.3Very high49 Ų4952 Ų5219%0.18531%0.311CS..Hα-helixtrans-60.1-39.1174.5-73.8-174.7-167.2104.15.3111.8P109 Q110 H113 A118 E119 L125 S126 L135P109-R122 HydrophobicContact CG-CG 4.21Å; Q110-R122 PolarHBondContact O-NH2 2.83Å; H113-R122 PolarHBondContact O-NH1 2.96Å; H113-R122 PolarHBondContact O-NH2 2.99Å; A118-R122 WeakPolarHBondContact O-CG 3.45Å; A118-R122 PolarHBondContact O-N 3.19Å; E119-R122 PolarHBondContact O-N 3.45Å; E119-R122 IonicContact OE2-NH1 3.83Å; E119-R122 PolarHBondContact OE2-NH1 2.65Å; R122-L125 PolarHBondContact O-N 3.24Å; R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.05Å; R122-L135 HydrophobicContact CG-CD2 3.99Å
123S93Very high92Very high71 Ų7152.8 Ų52.850%0.49731%0.311SS..Hα-helixtrans-58.7-51.5175-167.10000110.9E119 A120 L121 L125 S126E119-S123 PolarHBondContact O-N 3.19Å; A120-S123 WeakPolarHBondContact O-CB 3.37Å; A120-S123 PolarHBondContact O-N 2.89Å; L121-S123 VanDerWaalsContact C-N 3.27Å; L121-S123 PolarHBondContact O-N 3.24Å; S123-L125 PolarHBondContact O-N 3.38Å; S123-S126 PolarHBondContact O-N 2.62Å; S123-S126 PolarHBondContact O-OG 2.92Å
124C93.3Very high91.7Very high32 Ų3249.8 Ų49.822%0.21630%0.297CS..Hα-helixtrans-61.6-42.5177.2-60.40000112.4A120 L121 S126 E127A120-C124 PolarHBondContact O-N 3.46Å; A120-C124 VanDerWaalsContact O-N 3.13Å; A120-C124 PolarHBondContact O-SG 3.06Å; A120-C124 VanDerWaalsContact O-SG 3.37Å; L121-C124 PolarHBondContact O-N 3.19Å; C124-S126 VanDerWaalsContact C-N 3.29Å; C124-S126 PolarHBondContact O-N 3.33Å; C124-E127 PolarHBondContact O-N 3.49Å
125L94.3Very high91.3Very high0 Ų048.1 Ų48.10%027%0.274CS..Hα-helixtrans-70.2-23.1-179.4-70.8178.3000113W79 I107 I108 L121 R122 S123 E127 V128 W130 A131 L135W79-L125 HydrophobicContact CH2-CD2 4.12Å; W79-L125 HydrophobicContact CZ3-CD2 4.19Å; I107-L125 HydrophobicContact CG2-CD2 4.43Å; I108-L125 HydrophobicContact CG1-CD1 4.44Å; L121-L125 HydrophobicContact CD1-CD1 4.15Å; L121-L125 HydrophobicContact CD1-CG 4.03Å; L121-L125 HydrophobicContact CD2-CD1 4.45Å; L121-L125 HydrophobicContact CG-CD1 3.84Å; L121-L125 HydrophobicContact CG-CG 4.18Å; L121-L125 WeakPolarHBondContact O-CB 3.43Å; L121-L125 VanDerWaalsContact O-CG 3.26Å; L121-L125 WeakPolarHBondContact O-CG 3.5Å; L121-L125 PolarHBondContact O-N 2.88Å; R122-L125 PolarHBondContact O-N 3.24Å; S123-L125 PolarHBondContact O-N 3.38Å; L125-E127 PolarHBondContact O-N 3.37Å; L125-V128 HydrophobicContact CD2-CG2 4.37Å; L125-V128 WeakPolarHBondContact O-CG2 3.46Å; L125-V128 PolarHBondContact O-N 3.26Å; L125-W130 HydrophobicContact CD2-CH2 3.52Å; L125-W130 HydrophobicContact CD2-CZ2 4.15Å; L125-W130 HydrophobicContact CD2-CZ3 4.16Å; L125-A131 HydrophobicContact CB-CB 3.86Å; L125-A131 HydrophobicContact CD2-CB 3.98Å; L125-A131 HydrophobicContact CG-CB 4.37Å; L125-A131 WeakPolarHBondContact O-CB 3.39Å; L125-L135 HydrophobicContact CB-CD1 3.78Å
126S92.3Very high90.4Very high59 Ų5951.4 Ų51.441%0.41328%0.284SS..THydrogen-bonded Turntrans-66.2-18.1179750000113.7R122 S123 C124R122-S126 WeakPolarHBondContact O-CB 3.41Å; R122-S126 PolarHBondContact O-N 3.05Å; S123-S126 PolarHBondContact O-N 2.62Å; S123-S126 PolarHBondContact O-OG 2.92Å; C124-S126 VanDerWaalsContact C-N 3.29Å; C124-S126 PolarHBondContact O-N 3.33Å
127E90.5Very high89Confident145 Ų14557.8 Ų57.868%0.67831%0.311SS*.THydrogen-bonded Turntrans-80.7-23.6-179.9-59.9-178.8-178.200112.9C124 L125C124-E127 PolarHBondContact O-N 3.49Å; L125-E127 PolarHBondContact O-N 3.37Å
128V91.9Very high87.4Confident19 Ų1959.3 Ų59.312%0.11532%0.319CS..SBendtrans-102133.2-174.9-82.80000112.4W79 L125 W130 A131 K132W79-V128 HydrophobicContact CH2-CG1 4.13Å; W79-V128 HydrophobicContact CH2-CG2 3.7Å; W79-V128 HydrophobicContact CZ2-CB 4.46Å; W79-V128 HydrophobicContact CZ2-CG1 3.61Å; W79-V128 HydrophobicContact CZ2-CG2 3.98Å; L125-V128 HydrophobicContact CD2-CG2 4.37Å; L125-V128 WeakPolarHBondContact O-CG2 3.46Å; L125-V128 PolarHBondContact O-N 3.26Å; V128-W130 VanDerWaalsContact C-N 3.35Å; V128-W130 HydrophobicContact CG2-CD2 4.44Å; V128-W130 HydrophobicContact CG2-CZ2 3.89Å; V128-W130 PolarHBondContact O-N 3.24Å; V128-A131 HydrophobicContact CG2-CB 3.92Å; V128-A131 PolarHBondContact O-N 3.05Å; V128-K132 WeakPolarHBondContact O-CB 3.25Å; V128-K132 PolarHBondContact O-N 2.7Å
129G89Confident85.2Confident63 Ų6368.4 Ų68.465%0.64935%0.352SS*.Hα-helixtrans-60.5-37.5-175.300000114.5A131G129-A131 VanDerWaalsContact C-N 3.29Å; G129-A131 PolarHBondContact O-N 2.89Å
130W89.8Confident82.8Confident51 Ų5166.2 Ų66.219%0.19335%0.348CS..Hα-helixtrans-69.4-24.5-178.959.4-101.2000113.5N83 V86 F98 I107 L125 V128N83-W130 PolarHBondContact OD1-NE1 3.45Å; V86-W130 HydrophobicContact CB-CD2 4.36Å; V86-W130 HydrophobicContact CB-CH2 4.34Å; V86-W130 HydrophobicContact CB-CZ2 4.11Å; V86-W130 HydrophobicContact CG1-CD2 3.55Å; V86-W130 HydrophobicContact CG1-CE3 3.6Å; V86-W130 HydrophobicContact CG1-CG 4.07Å; V86-W130 HydrophobicContact CG1-CH2 4.19Å; V86-W130 HydrophobicContact CG1-CZ2 4.14Å; V86-W130 HydrophobicContact CG1-CZ3 3.93Å; V86-W130 HydrophobicContact CG2-CH2 3.95Å; V86-W130 HydrophobicContact CG2-CZ2 4.1Å; V86-W130 HydrophobicContact CG2-CZ3 4.29Å; F98-W130 AromaticContact CD2-CE3 3.83Å; F98-W130 HydrophobicContact CD2-CE3 3.83Å; F98-W130 HydrophobicContact CD2-CZ3 4.03Å; F98-W130 AromaticContact CE2-CE3 3.83Å; F98-W130 HydrophobicContact CE2-CE3 3.83Å; F98-W130 HydrophobicContact CE2-CZ3 4.49Å; F98-W130 HydrophobicContact CG-CE3 4.44Å; F98-W130 HydrophobicContact CG-CZ3 4.44Å; F98-W130 HydrophobicContact CZ-CE3 4.43Å; I107-W130 HydrophobicContact CG2-CH2 4.16Å; I107-W130 HydrophobicContact CG2-CZ3 4.49Å; L125-W130 HydrophobicContact CD2-CH2 3.52Å; L125-W130 HydrophobicContact CD2-CZ2 4.15Å; L125-W130 HydrophobicContact CD2-CZ3 4.16Å; V128-W130 VanDerWaalsContact C-N 3.35Å; V128-W130 HydrophobicContact CG2-CD2 4.44Å; V128-W130 HydrophobicContact CG2-CZ2 3.89Å; V128-W130 PolarHBondContact O-N 3.24Å
131A90.4Very high80.2Confident0 Ų074.7 Ų74.70%038%0.379CS..Hα-helixtrans-97.5-32.1177.500000112.3L125 V128 G129 E133 S134 L135L125-A131 HydrophobicContact CB-CB 3.86Å; L125-A131 HydrophobicContact CD2-CB 3.98Å; L125-A131 HydrophobicContact CG-CB 4.37Å; L125-A131 WeakPolarHBondContact O-CB 3.39Å; V128-A131 HydrophobicContact CG2-CB 3.92Å; V128-A131 PolarHBondContact O-N 3.05Å; G129-A131 VanDerWaalsContact C-N 3.29Å; G129-A131 PolarHBondContact O-N 2.89Å; A131-E133 VanDerWaalsContact C-N 3.28Å; A131-E133 PolarHBondContact O-N 3.22Å; A131-S134 PolarHBondContact O-N 3.25Å; A131-S134 PolarHBondContact O-OG 3.24Å; A131-L135 WeakPolarHBondContact O-CG 3.28Å; A131-L135 PolarHBondContact O-N 3.44Å
132K87.1Confident77.7Confident119 Ų11982.2 Ų82.252%0.51741%0.412SS..Hα-helixtrans-53.9-42.4-175.5-173175.5-178.6177.30113.3V128 L135 N136V128-K132 WeakPolarHBondContact O-CB 3.25Å; V128-K132 PolarHBondContact O-N 2.7Å; K132-L135 PolarHBondContact O-N 2.66Å; K132-N136 VanDerWaalsContact O-CG 3.32Å; K132-N136 PolarHBondContact O-N 3.27Å; K132-N136 PolarHBondContact O-ND2 3.24Å
133E82.2Confident75.3Confident143 Ų14387.4 Ų87.467%0.66844%0.438SS*.Hα-helixtrans-62.4-45.5178.5-169.658.6-15200111.5A131 L135 N136 E137A131-E133 VanDerWaalsContact C-N 3.28Å; A131-E133 PolarHBondContact O-N 3.22Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.14Å; E133-N136 PolarHBondContact O-N 3.36Å; E133-E137 PolarHBondContact O-N 3.32Å
134S81.3Confident73Confident4 Ų491.9 Ų91.93%0.02846%0.455CS..Hα-helixtrans-67-32.5179.7700000113.8I108 A131 N136 I138I108-S134 WeakPolarHBondContact CD1-OG 3.48Å; A131-S134 PolarHBondContact O-N 3.25Å; A131-S134 PolarHBondContact O-OG 3.24Å; S134-N136 VanDerWaalsContact C-N 3.3Å; S134-N136 PolarHBondContact O-N 3.48Å; S134-I138 WeakPolarHBondContact O-CB 3.31Å; S134-I138 VanDerWaalsContact O-CD1 3.31Å; S134-I138 WeakPolarHBondContact O-CD1 3.34Å; S134-I138 WeakPolarHBondContact O-CG1 3.32Å; S134-I138 PolarHBondContact O-N 3.43Å
135L83.3Confident70.4Confident26 Ų2697.1 Ų97.114%0.13648%0.476CS..Hα-helixtrans-70.3-29.4178.2-69.7176.7000112.1I108 R122 L125 A131 K132 E133I108-L135 HydrophobicContact CG2-CD2 4.04Å; R122-L135 HydrophobicContact CG-CD2 3.99Å; L125-L135 HydrophobicContact CB-CD1 3.78Å; A131-L135 WeakPolarHBondContact O-CG 3.28Å; A131-L135 PolarHBondContact O-N 3.44Å; K132-L135 PolarHBondContact O-N 2.66Å; E133-L135 VanDerWaalsContact C-N 3.35Å; E133-L135 PolarHBondContact O-N 3.14Å
136N74Confident68Low100 Ų100102.4 Ų102.454%0.53551%0.514SS..Hα-helixtrans-72.6-39.5178.1-66.6-28.6000111.7K132 E133 S134 I138 R139K132-N136 VanDerWaalsContact O-CG 3.32Å; K132-N136 PolarHBondContact O-N 3.27Å; K132-N136 PolarHBondContact O-ND2 3.24Å; E133-N136 PolarHBondContact O-N 3.36Å; S134-N136 VanDerWaalsContact C-N 3.3Å; S134-N136 PolarHBondContact O-N 3.48Å; N136-I138 PolarHBondContact O-N 3.33Å; N136-R139 PolarHBondContact O-N 3.5Å
137E65.9Low65.6Low164 Ų164107 Ų10777%0.76653%0.528SS*.Hα-helixtrans-65.7-30.3176.1-167.7176.9-171.500112E133 R139E133-E137 PolarHBondContact O-N 3.32Å; E137-R139 VanDerWaalsContact C-N 3.29Å; E137-R139 PolarHBondContact O-N 3.11Å
138I60.8Low63.4Low44 Ų44105.6 Ų105.623%0.22653%0.532CS..THydrogen-bonded Turntrans-77.4-11.3-178.5-73.1174000112.7I108 A111 S134 N136 P140I108-I138 HydrophobicContact CG2-CD1 3.63Å; A111-I138 HydrophobicContact CB-CG2 3.59Å; A111-I138 WeakPolarHBondContact CB-O 3.36Å; A111-I138 VanDerWaalsContact N-CG2 3.29Å; S134-I138 WeakPolarHBondContact O-CB 3.31Å; S134-I138 VanDerWaalsContact O-CD1 3.31Å; S134-I138 WeakPolarHBondContact O-CD1 3.34Å; S134-I138 WeakPolarHBondContact O-CG1 3.32Å; S134-I138 PolarHBondContact O-N 3.43Å; N136-I138 PolarHBondContact O-N 3.33Å; I138-P140 VanDerWaalsContact O-CD 3.24Å; I138-P140 WeakPolarHBondContact O-CD 3.29Å; I138-P140 VanDerWaalsContact O-N 3.1Å
139R50.1Low60.8Low195 Ų195114.7 Ų114.774%0.73657%0.57SS**SBendtrans-65.7114.7178.3-157.7176-146.9-1746.6108.7N136 E137 F141N136-R139 PolarHBondContact O-N 3.5Å; E137-R139 VanDerWaalsContact C-N 3.29Å; E137-R139 PolarHBondContact O-N 3.11Å; R139-F141 PolarHBondContact O-N 2.87Å
140P45.4Very low58.5Low70 Ų70116.3 Ų116.346%0.45557%0.571SS.*  trans-59.6139177.80.17.8000108.1I138 F142I138-P140 VanDerWaalsContact O-CD 3.24Å; I138-P140 WeakPolarHBondContact O-CD 3.29Å; I138-P140 VanDerWaalsContact O-N 3.1Å; P140-F142 HydrophobicContact CB-CD2 3.76Å; P140-F142 HydrophobicContact CB-CE2 3.76Å; P140-F142 HydrophobicContact CG-CD2 4.12Å; P140-F142 HydrophobicContact CG-CE2 4.11Å; P140-F142 PolarHBondContact O-N 3.22Å
141F39Very low56Low212 Ų212120.5 Ų120.593%0.9360%0.603SS**SBendtrans-53.779.6170.2-82.1-99.3000110.5R139R139-F141 PolarHBondContact O-N 2.87Å
142F43.9Very low53.8Low160 Ų160126.3 Ų126.370%0.70264%0.643SS**  trans-119.445.2162.6-67.2-68.8000107.9P140 L144P140-F142 HydrophobicContact CB-CD2 3.76Å; P140-F142 HydrophobicContact CB-CE2 3.76Å; P140-F142 HydrophobicContact CG-CD2 4.12Å; P140-F142 HydrophobicContact CG-CE2 4.11Å; P140-F142 PolarHBondContact O-N 3.22Å; F142-L144 VanDerWaalsContact C-N 3.3Å; F142-L144 PolarHBondContact O-N 2.82Å
143H43.8Very low51.8Low159 Ų159126.9 Ų126.974%0.73666%0.657SS**  trans-80.392153.7-114.5-80.7000106.3E145H143-E145 PolarHBondContact O-N 2.85Å
144L44Very low49.9Very low165 Ų165125.5 Ų125.586%0.86466%0.66SS**  trans-64.596.7152.1-133.277.5000104.4F142 S146F142-L144 VanDerWaalsContact C-N 3.3Å; F142-L144 PolarHBondContact O-N 2.82Å; L144-S146 VanDerWaalsContact C-N 3.33Å; L144-S146 PolarHBondContact O-N 2.8Å
145E40.1Very low48Very low141 Ų141131.5 Ų131.566%0.65969%0.692SS**  trans-57.3101.8167.6-76.5176.1128.600107.4H143 H147H143-E145 PolarHBondContact O-N 2.85Å; E145-H147 PolarHBondContact O-N 2.6Å
146S42.5Very low46.1Very low112 Ų112139 Ų13978%0.78373%0.729SS**  trans-66.785.6156.955.90000106.5L144 P148L144-S146 VanDerWaalsContact C-N 3.33Å; L144-S146 PolarHBondContact O-N 2.8Å; S146-P148 VanDerWaalsContact O-CD 3.24Å; S146-P148 WeakPolarHBondContact O-CD 3.26Å
147H42Very low44.6Very low154 Ų154141.3 Ų141.371%0.71374%0.741SS**  trans-54120.6169.9-86-60000109.5E145E145-H147 PolarHBondContact O-N 2.6Å
148P44.8Very low43.7Very low117 Ų117140.5 Ų140.576%0.7674%0.741SS**  trans-74.3128.3160.525.4-19.8000108.8S146 S150S146-P148 VanDerWaalsContact O-CD 3.24Å; S146-P148 WeakPolarHBondContact O-CD 3.26Å; P148-S150 PolarHBondContact O-N 3.24Å
149K37.3Very low42.5Very low209 Ų209150.3 Ų150.391%0.90978%0.775SS**  trans-76.1104.8-176.6-165.8178.2-168.8179.60110.1
150S41.1Very low42.2Very low98 Ų98146.7 Ų146.769%0.68577%0.774SS**  trans-170.394.7161.837.30000110.2P148P148-S150 PolarHBondContact O-N 3.24Å
151T37.3Very low42.1Very low139 Ų139148.4 Ų148.485%0.85379%0.787SS**  74.286.7100.4-46.70000114.1
152S43Very low41.8Very low121 Ų121146.1 Ų146.185%0.84679%0.785SS**  trans-166.8119.5138.755.50000110.3
153T45.7Very low41.8Very low132 Ų132144.3 Ų144.381%0.8179%0.789SS**  trans-77.2177.1-174.9-12.90000112.2
154P42.1Very low41.6Very low113 Ų113142.6 Ų142.673%0.73479%0.79SS**  -125.9-168.5-95.941.7-24.5000113
155N42.3Very low41.3Very low130 Ų130142 Ų14270%0.69579%0.788SS**  trans111.993.6142.5-142.96.5000117
156M43.1Very low41.3Very low184 Ų184143.1 Ų143.191%0.90679%0.793SS**  trans-146.7121135.5-94.6-146.9-175.700109.7I158M156-I158 PolarHBondContact O-N 3.14Å
157N43.1Very low41.4Very low149 Ų149148.2 Ų148.280%0.79780%0.801SS**  trans-70.2119.2172.1-73.7-35.5000109.9
158I46.1Very low41.7Very low147 Ų147147 Ų14775%0.75480%0.799SS**  trans-126.4110.4156.5-65.9-179.2000107.6M156 V160M156-I158 PolarHBondContact O-N 3.14Å; I158-V160 HydrophobicContact CG2-CG2 3.78Å
159R36.5Very low42.4Very low249 Ų249148.2 Ų148.294%0.9480%0.799SS**  trans-90.7105.2174.8-166.5-177.2-159.8-176.94.9106.4
160V42.4Very low43.8Very low120 Ų120142.7 Ų142.773%0.72778%0.779SS**  trans-123.2126.3167.4177.70000108.2I158I158-V160 HydrophobicContact CG2-CG2 3.78Å
161S43.9Very low45.5Very low105 Ų105142.8 Ų142.873%0.73478%0.777SS**  trans-62.7140.8-178.135.60000113.8
162N32.4Very low47.4Very low165 Ų165144.4 Ų144.488%0.88277%0.768SS**  trans-49.4141.8168.2-82.6-14.7000113
163P44.6Very low49Very low121 Ų121144.8 Ų144.879%0.78676%0.76SS**  trans-107.2140.1139.9180.7000110.8
164T38.4Very low50.4Low123 Ų123141.9 Ų141.976%0.75574%0.739SS**  trans-55157.617429.40000115.2
165D37.6Very low52.1Low153 Ų153139.8 Ų139.882%0.81872%0.724SS**  trans77.377.3155.6-55.3-34.5000119
166E41.5Very low53.8Low165 Ų165134.7 Ų134.777%0.77170%0.7SS**  trans-140.5106.9149-133177.5163.200110.8L168E166-L168 PolarHBondContact O-N 2.95Å
167K44.9Very low55.3Low219 Ų219128.2 Ų128.295%0.95268%0.676SS**  trans-75.170.2-180-149.3175.8-172.7-179.20108.4L169K167-L169 PolarHBondContact O-N 3.15Å
168L46.5Very low56.9Low128 Ų128128.2 Ų128.267%0.6766%0.664SS**  trans-70.4123.6178.9-87.5160.6000110.6E166E166-L168 PolarHBondContact O-N 2.95Å
169L60.5Low58.3Low143 Ų143124.4 Ų124.475%0.74964%0.644SS**  trans10.3112.1166.9-62.9106.4000116.8K167 P171K167-L169 PolarHBondContact O-N 3.15Å; L169-P171 VanDerWaalsContact O-CD 3.24Å; L169-P171 WeakPolarHBondContact O-CD 3.02Å
170D66.3Low60.1Low93 Ų93120.9 Ų120.950%0.49763%0.631SS.*  trans-57.5116.9169-170.8-16.5000109.7R172 L173D170-R172 PolarHBondContact O-N 2.56Å; D170-R172 VanDerWaalsContact OD1-CB 3.29Å; D170-R172 WeakPolarHBondContact OD1-CB 3.14Å; D170-R172 WeakPolarHBondContact OD1-CG 3.41Å; D170-R172 PolarHBondContact OD1-N 3.12Å; D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 2.99Å
171P76.3Confident61.6Low100 Ų100122 Ų12265%0.64963%0.633SS**Hα-helixtrans-55.1-22.4177.4-25.634.7000113.3L169 L173 D174 V175L169-P171 VanDerWaalsContact O-CD 3.24Å; L169-P171 WeakPolarHBondContact O-CD 3.02Å; P171-L173 VanDerWaalsContact C-N 3.31Å; P171-L173 PolarHBondContact O-N 3.03Å; P171-D174 PolarHBondContact O-N 3.1Å; P171-V175 PolarHBondContact O-N 3.32Å
172R77.2Confident63.3Low173 Ų173125.9 Ų125.965%0.65364%0.636SS**Hα-helixtrans-65.6-33.1174.8-67.7-176.7148.1130.5-2.9112.9D170 D174 V175 A176D170-R172 PolarHBondContact O-N 2.56Å; D170-R172 VanDerWaalsContact OD1-CB 3.29Å; D170-R172 WeakPolarHBondContact OD1-CB 3.14Å; D170-R172 WeakPolarHBondContact OD1-CG 3.41Å; D170-R172 PolarHBondContact OD1-N 3.12Å; R172-D174 VanDerWaalsContact C-N 3.31Å; R172-V175 PolarHBondContact O-N 3.15Å; R172-A176 WeakPolarHBondContact O-CB 3.47Å; R172-A176 PolarHBondContact O-N 2.88Å
173L77.8Confident64.4Low129 Ų129120.8 Ų120.868%0.67562%0.623SS**Hα-helixtrans-68.8-34.2179-15573.3000111D170 P171 A176 A177D170-L173 WeakPolarHBondContact O-CB 3.43Å; D170-L173 PolarHBondContact O-N 2.99Å; P171-L173 VanDerWaalsContact C-N 3.31Å; P171-L173 PolarHBondContact O-N 3.03Å; L173-A176 PolarHBondContact O-N 2.97Å; L173-A177 WeakPolarHBondContact O-CB 3.31Å; L173-A177 PolarHBondContact O-N 2.96Å
174D75.5Confident65.3Low71 Ų71124.2 Ų124.238%0.3862%0.62SS.*Hα-helixtrans-69.6-38.4175.3-168.154.4000112P171 R172 A177 R178P171-D174 PolarHBondContact O-N 3.1Å; R172-D174 VanDerWaalsContact C-N 3.31Å; D174-A177 PolarHBondContact O-N 3.45Å; D174-R178 WeakPolarHBondContact O-CB 3.37Å; D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.31Å; D174-R178 PolarHBondContact O-N 3.37Å; D174-R178 IonicContact OD2-CZ 3.29Å; D174-R178 VanDerWaalsContact OD2-CZ 3.29Å; D174-R178 IonicContact OD2-NE 3.74Å; D174-R178 IonicContact OD2-NH1 2.73Å; D174-R178 PolarHBondContact OD2-NH1 3.14Å
175V78Confident66.3Low68 Ų68125.6 Ų125.641%0.41262%0.623SS.*Hα-helixtrans-65-43.6172.8177.30000111.1P171 R172 R178 Q179P171-V175 PolarHBondContact O-N 3.32Å; R172-V175 PolarHBondContact O-N 3.15Å; V175-R178 PolarHBondContact O-N 3.27Å; V175-Q179 WeakPolarHBondContact O-CG 3.2Å; V175-Q179 PolarHBondContact O-N 3.47Å
176A77.4Confident67.2Low23 Ų23120.5 Ų120.519%0.1960%0.597CS.*Hα-helixtrans-63.2-43176.300000111.7R172 L173 R178 Q179 Y180R172-A176 WeakPolarHBondContact O-CB 3.47Å; R172-A176 PolarHBondContact O-N 2.88Å; L173-A176 PolarHBondContact O-N 2.97Å; A176-R178 PolarHBondContact O-N 3.47Å; A176-Q179 PolarHBondContact O-N 2.74Å; A176-Y180 WeakPolarHBondContact O-CB 3.48Å; A176-Y180 PolarHBondContact O-N 2.88Å
177A74.9Confident67.8Low48 Ų48118.1 Ų118.140%0.39759%0.594SS.*Hα-helixtrans-61.5-42.8174.900000111.9L173 D174 Q179 Y180 L181L173-A177 WeakPolarHBondContact O-CB 3.31Å; L173-A177 PolarHBondContact O-N 2.96Å; D174-A177 PolarHBondContact O-N 3.45Å; A177-Q179 PolarHBondContact O-N 3.39Å; A177-Y180 PolarHBondContact O-N 2.91Å; A177-L181 WeakPolarHBondContact O-CB 3.46Å; A177-L181 VanDerWaalsContact O-CG 3.25Å; A177-L181 WeakPolarHBondContact O-CG 3.49Å; A177-L181 PolarHBondContact O-N 2.8Å
178R75.7Confident68.1Low149 Ų149115.2 Ų115.256%0.56259%0.589SS**Hα-helixtrans-63.5-38.2175.2-77.6171.8159.1153.1-8.3112.9D174 V175 A176 K182D174-R178 WeakPolarHBondContact O-CB 3.37Å; D174-R178 VanDerWaalsContact O-CG 3.28Å; D174-R178 WeakPolarHBondContact O-CG 3.31Å; D174-R178 PolarHBondContact O-N 3.37Å; D174-R178 IonicContact OD2-CZ 3.29Å; D174-R178 VanDerWaalsContact OD2-CZ 3.29Å; D174-R178 IonicContact OD2-NE 3.74Å; D174-R178 IonicContact OD2-NH1 2.73Å; D174-R178 PolarHBondContact OD2-NH1 3.14Å; V175-R178 PolarHBondContact O-N 3.27Å; A176-R178 PolarHBondContact O-N 3.47Å; R178-K182 PolarHBondContact O-N 3.1Å
179Q75Confident68.4Low68 Ų68112.7 Ų112.732%0.31858%0.575SS.*Hα-helixtrans-68.8-41.7175.8-74.1177.2-13.300111.5V175 A176 A177 K182 G183 R184 V186V175-Q179 WeakPolarHBondContact O-CG 3.2Å; V175-Q179 PolarHBondContact O-N 3.47Å; A176-Q179 PolarHBondContact O-N 2.74Å; A177-Q179 PolarHBondContact O-N 3.39Å; Q179-K182 PolarHBondContact O-N 3.25Å; Q179-G183 PolarHBondContact O-N 3.34Å; Q179-R184 PolarHBondContact O-N 3.31Å; Q179-V186 HydrophobicContact CB-CG2 3.56Å
180Y75Confident67.6Low174 Ų174114.2 Ų114.268%0.68258%0.583SS**Hα-helixtrans-64.4-43.1176.7-165.6-95.6000112.1A176 A177 K182 G183A176-Y180 WeakPolarHBondContact O-CB 3.48Å; A176-Y180 PolarHBondContact O-N 2.88Å; A177-Y180 PolarHBondContact O-N 2.91Å; Y180-K182 PolarHBondContact O-N 3.06Å; Y180-G183 PolarHBondContact O-N 3.21Å
181L75.3Confident66.2Low144 Ų144113.4 Ų113.475%0.75460%0.597SS**Hα-helixtrans-63.8-27176.5-72.7169.1000113.1A177 G183A177-L181 WeakPolarHBondContact O-CB 3.46Å; A177-L181 VanDerWaalsContact O-CG 3.25Å; A177-L181 WeakPolarHBondContact O-CG 3.49Å; A177-L181 PolarHBondContact O-N 2.8Å; L181-G183 VanDerWaalsContact C-N 3.31Å
182K78Confident64.3Low187 Ų187114 Ų11481%0.81360%0.604SS**THydrogen-bonded Turntrans-840.7173.9-76.5-176.4177.6-178.30114.1R178 Q179 Y180R178-K182 PolarHBondContact O-N 3.1Å; Q179-K182 PolarHBondContact O-N 3.25Å; Y180-K182 PolarHBondContact O-N 3.06Å
183G56.7Low62.3Low58 Ų58111.1 Ų111.160%0.59861%0.607SS**THydrogen-bonded Turntrans75.424.8176.200000114.9Q179 Y180 L181Q179-G183 PolarHBondContact O-N 3.34Å; Y180-G183 PolarHBondContact O-N 3.21Å; L181-G183 VanDerWaalsContact C-N 3.31Å
184R62.9Low60.3Low192 Ų192113.9 Ų113.973%0.72562%0.617SS**  trans-93.6138.4165.3-88.3-177.3-164.2149.15.4110.2Q179 V186Q179-R184 PolarHBondContact O-N 3.31Å; R184-V186 PolarHBondContact O-N 3.48Å
185D59.3Low58.6Low152 Ų152119.9 Ų119.981%0.81364%0.64SS**  trans-63.7127.5166.3-98.6-36.4000109.6
186V57.2Low56.4Low47 Ų47122.6 Ų122.629%0.28566%0.656SS.*  trans-104.583.3174.2-172.20000107.4Q179 R184 I189Q179-V186 HydrophobicContact CB-CG2 3.56Å; R184-V186 PolarHBondContact O-N 3.48Å; V186-I189 HydrophobicContact CG1-CB 4.38Å; V186-I189 HydrophobicContact CG1-CD1 3.93Å; V186-I189 HydrophobicContact CG1-CG1 4.05Å
187T53.5Low54.5Low114 Ų114128.9 Ų128.970%0.69969%0.685SS**  trans-94.7133.2159.245.70000107.6
188D51Low52.6Low159 Ų159129.7 Ų129.785%0.8570%0.698SS**SBendtrans89.342174-55.6-22.7000120.4
189I52.7Low50.6Low74 Ų74131 Ų13138%0.37971%0.708SS.*SBendtrans-117.28.4165.3-55.2-175.4000114.2V186V186-I189 HydrophobicContact CG1-CB 4.38Å; V186-I189 HydrophobicContact CG1-CD1 3.93Å; V186-I189 HydrophobicContact CG1-CG1 4.05Å
190L43.9Very low48.8Very low175 Ų175134.4 Ų134.492%0.91672%0.724SS**  trans-136.670.2174.8-154.471000113
191G38Very low46.9Very low77 Ų77133.4 Ų133.479%0.79473%0.729SS**  trans-109.299.6168.300000111.9
192S36.3Very low45.1Very low113 Ų113133.6 Ų133.679%0.7973%0.731SS**  trans53.8126.8151.6-158.30000121.4
193P35.3Very low42.9Very low111 Ų111131.8 Ų131.872%0.72173%0.73SS**  trans-106.9142152.735.5-24.3000111.9
194Q35.8Very low42Very low187 Ų187134.4 Ų134.487%0.87474%0.739SS**  trans93.8105.9161.8-51-1786.800117.6
195K38.8Very low40.8Very low198 Ų198134.1 Ų134.186%0.86174%0.743SS**  -173.3125.5107.7-167169.2179.4-178.40110.6
196T32.6Very low39.9Very low124 Ų124133.4 Ų133.476%0.76174%0.74SS**  trans-49138.5169.1-45.60000112.8
197I37Very low39Very low155 Ų155136.9 Ų136.980%0.79576%0.761SS**  trans157.9120.6131.8-77.9154.1000110
198G34.6Very low38.1Very low65 Ų65138.2 Ų138.267%0.6776%0.764SS**  trans70105.7130.500000121.1
199F33Very low37.6Very low176 Ų176138.8 Ų138.877%0.77277%0.765SS**  81.9120.8119.9-149.3-113.2000121.2
200Q37.9Very low37Very low141 Ų141140.4 Ų140.466%0.65978%0.783SS**  trans61.6107.6146.2-72.2-170.6-12.700122.1
201I36.1Very low36.8Very low152 Ų152141 Ų14178%0.77978%0.781SS**  9.3115.6122.1-46.8171.9000115.7
202D36Very low36.8Very low148 Ų148146 Ų14679%0.79179%0.789SS**  -170.9153.4109.6-121.8-27.1000113.5
203N32.4Very low36.8Very low149 Ų149147.2 Ų147.280%0.79778%0.782SS**  trans-72.9139-177.7-70.5-46.5000113
204S38.9Very low36.9Very low114 Ų114153.2 Ų153.280%0.79779%0.792SS**  trans179.6121.4133.2-85.70000112.9
205K37.8Very low36.9Very low185 Ų185151 Ų15180%0.80478%0.781SS**  43.5126.4129.9-84.4-178.4178.5176.80121.2
206D39.8Very low36.6Very low138 Ų138152.5 Ų152.574%0.73878%0.781SS**  trans119.2123.1132.9-62-24.5000117.9
207T38.4Very low37.1Very low119 Ų119151.8 Ų151.873%0.7378%0.782SS**  trans89.9106.8142.413.30000121.4
208D34.4Very low37.1Very low143 Ų143150.8 Ų150.877%0.76578%0.778SS**  trans57.2115.8130.9-74.2-22.7000120.8
209I41Very low37.4Very low170 Ų170156.7 Ų156.787%0.87279%0.788SS**  -150.5107.3127.5-85.2136.7000108.8
210S39.5Very low37.6Very low108 Ų108154.3 Ų154.376%0.75579%0.79SS**  trans31.397.9141.7-54.80000121.2
211Q39.8Very low37.6Very low187 Ų187153.1 Ų153.187%0.87480%0.798SS**  trans-1.6122.8133-58.4174.5-0.300118.4
212L37.6Very low37.8Very low184 Ų184154.1 Ų154.196%0.96380%0.804SS**  trans-145.9100.6130.9-100.4173.2000108.7
213H36.5Very low37.9Very low138 Ų138153.8 Ų153.864%0.63980%0.802SS**  trans-90.9126.6-177.5-149.7101000108.6Q215H213-Q215 PolarHBondContact NE2-OE1 2.83Å
214Y36.3Very low38.2Very low237 Ų237152.7 Ų152.793%0.92981%0.806SS**  trans-146.8108143.7-118.4-82.9000109.7
215Q36.7Very low38.4Very low140 Ų140155.5 Ų155.565%0.65481%0.806SS**  trans-83.2127.7-172.4-168.4167.5-46.300109.5H213H213-Q215 PolarHBondContact NE2-OE1 2.83Å
216R32.3Very low38.2Very low229 Ų229156.4 Ų156.486%0.86481%0.81SS**  trans-78.2120165.6-170.8-179.7-141162.54.1107.5
217S42.4Very low38.1Very low110 Ų110156.8 Ų156.877%0.76981%0.812SS**  trans-108.1130.7168.6-158.30000109
218D38.3Very low38.1Very low133 Ų133160 Ų16071%0.71182%0.816SS**  trans-76.2162.8179.8-68.5-57.3000113.1
219Q39.8Very low38.7Very low189 Ų189161.7 Ų161.788%0.88382%0.821SS**  trans94.5138.4151.8-76.8179.7-23.800121.1
220P38.1Very low38.7Very low126 Ų126159.3 Ų159.382%0.81882%0.817SS**  trans-106.6140.6-157.433.1-16.9000112.8
221S37.2Very low39.1Very low117 Ų117163 Ų16382%0.81882%0.822SS**  trans-115.8126.7163.156.10000109.5
222L41.7Very low39.6Very low172 Ų172158 Ų15890%0.90180%0.801SS**  trans-49.3157.4163.7-100.689.4000110.7
223D36.8Very low40.3Very low142 Ų142156 Ų15676%0.75979%0.791SS**  trans82.377.2168.8-106.1-4.8000116.8
224S38.8Very low41.4Very low126 Ų126152.9 Ų152.988%0.88178%0.78SS**  trans-145.7110.7135.2-88.20000110.5
225Q43.5Very low42.3Very low172 Ų172145.5 Ų145.580%0.80476%0.756SS**  trans-44.3133.2174.7-68.8161.2-20.400112.4L227Q225-L227 PolarHBondContact O-N 3.09Å
226K34.2Very low43.4Very low205 Ų205142.8 Ų142.889%0.89175%0.746SS**  trans6.4107.1140.9-76.7175.21711790113.6
227L36.4Very low45.3Very low146 Ų146138.5 Ų138.576%0.76473%0.734SS**  trans-169.1119.4146-98.6170000107.8Q225Q225-L227 PolarHBondContact O-N 3.09Å
228F38.6Very low46.4Very low185 Ų185134.6 Ų134.681%0.81170%0.703SS**  trans7478.5170.3-51.4-78.2000118.7
229M47Very low47.5Very low180 Ų180133.5 Ų133.589%0.88769%0.692SS**  trans-92.6124.4140.7-82.9-151.77400108.2E231M229-E231 PolarHBondContact O-N 2.88Å; M229-E231 VanDerWaalsContact O-N 3.12Å
230P40.5Very low48.4Very low119 Ų119132.9 Ų132.977%0.77368%0.681SS**  trans-70.3109.5170.928.3-29.2000108N232P230-N232 PolarHBondContact O-N 2.66Å; P230-N232 VanDerWaalsContact O-N 3.1Å
231E48.4Very low49Very low185 Ų185132.4 Ų132.486%0.86467%0.668SS**  trans-66.7105.6169.8-160.4174.2142.400108.5M229M229-E231 PolarHBondContact O-N 2.88Å; M229-E231 VanDerWaalsContact O-N 3.12Å
232N49.6Very low49.7Very low83 Ų83134.1 Ų134.144%0.44467%0.667SS.*  trans74.760.2144.3-125.2-8000119.9P230 N235P230-N232 PolarHBondContact O-N 2.66Å; P230-N232 VanDerWaalsContact O-N 3.1Å; N232-N235 PolarHBondContact ND2-ND2 3.03Å; N232-N235 PolarHBondContact OD1-ND2 2.97Å; N232-N235 PolarHBondContact OD1-OD1 3.29Å
233D53Low50.5Low141 Ų141131.6 Ų131.675%0.75466%0.659SS**SBendtrans-76.5-19.5164.7-168.933.1000113.2N235D233-N235 VanDerWaalsContact C-N 3.29Å; D233-N235 PolarHBondContact O-N 3.28Å
234D59.3Low51.6Low74 Ų74129.2 Ų129.240%0.39665%0.645SS.*THydrogen-bonded Turntrans-71.2-20-177-78.1-30.3000114.3K5 D236 K237K5-D234 WeakPolarHBondContact CE-OD2 3.35Å; K5-D234 VanDerWaalsContact NZ-CB 3.29Å; K5-D234 IonicContact NZ-OD2 2.74Å; K5-D234 PolarHBondContact NZ-OD2 3.29Å; D234-D236 PolarHBondContact O-N 2.98Å; D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.46Å
235N54.8Low52.7Low81 Ų81125.3 Ų125.343%0.43362%0.618SS.*THydrogen-bonded Turntrans-64.6-28.3-178.4-76.1-20.9000112.5N232 D233N232-N235 PolarHBondContact ND2-ND2 3.03Å; N232-N235 PolarHBondContact OD1-ND2 2.97Å; N232-N235 PolarHBondContact OD1-OD1 3.29Å; D233-N235 VanDerWaalsContact C-N 3.29Å; D233-N235 PolarHBondContact O-N 3.28Å
236D61.4Low53.6Low84 Ų84126.5 Ų126.545%0.44962%0.616SS.*THydrogen-bonded Turntrans-83.8-22.7-178.7-77-12.7000112.5D234 Y238 K239D234-D236 PolarHBondContact O-N 2.98Å; D236-Y238 PolarHBondContact O-N 2.74Å; D236-K239 PolarHBondContact O-N 2.98Å; D236-K239 WeakPolarHBondContact OD1-CE 3.45Å; D236-K239 IonicContact OD1-NZ 2.74Å; D236-K239 PolarHBondContact OD1-NZ 3.21Å
237K70.6Confident55.2Low139 Ų139121 Ų12160%0.60459%0.592SS**THydrogen-bonded Turntrans-54.9-29.5-180-174.7178.1176.9-177.50113.8D234D234-K237 WeakPolarHBondContact O-CB 3.4Å; D234-K237 PolarHBondContact O-N 3.46Å
238Y66.9Low56.6Low27 Ų27117.4 Ų117.411%0.10658%0.576CS.*THydrogen-bonded Turntrans-115.93-170.3-58.4-50.7000114F15 R20 Y40 W43 D236 R240F15-Y238 HydrophobicContact CE2-CE2 4.06Å; F15-Y238 HydrophobicContact CZ-CD2 4.19Å; F15-Y238 AromaticContact CZ-CE2 3.94Å; F15-Y238 HydrophobicContact CZ-CE2 3.94Å; R20-Y238 HydrophobicContact CB-CD2 4.18Å; R20-Y238 WeakPolarHBondContact O-CD2 3.34Å; R20-Y238 WeakPolarHBondContact O-CE2 3.42Å; Y40-Y238 HydrophobicContact CE2-CE1 4.28Å; W43-Y238 AromaticContact CH2-CD1 3.01Å; W43-Y238 HydrophobicContact CH2-CD1 3.01Å; W43-Y238 AromaticContact CH2-CE1 3.64Å; W43-Y238 HydrophobicContact CH2-CE1 3.64Å; W43-Y238 AromaticContact CH2-CG 3.58Å; W43-Y238 HydrophobicContact CH2-CG 3.58Å; W43-Y238 AromaticContact CZ2-CD1 3.76Å; W43-Y238 HydrophobicContact CZ2-CD1 3.76Å; W43-Y238 AromaticContact CZ2-CG 3.83Å; W43-Y238 HydrophobicContact CZ2-CG 3.83Å; W43-Y238 AromaticContact CZ3-CD1 3.49Å; W43-Y238 HydrophobicContact CZ3-CD1 3.49Å; W43-Y238 VanDerWaalsContact CZ3-CD1 3.49Å; W43-Y238 AromaticContact CZ3-CE1 3.58Å; W43-Y238 HydrophobicContact CZ3-CE1 3.58Å; W43-Y238 HydrophobicContact CZ3-CG 4.33Å; D236-Y238 PolarHBondContact O-N 2.74Å; Y238-R240 PolarHBondContact O-N 2.8Å
239K60.7Low57.8Low111 Ų111118 Ų11848%0.48357%0.573SS.*SBendtrans-68.4117.9167.4-76.1177.3-175.7158.80107.3D236 H241D236-K239 PolarHBondContact O-N 2.98Å; D236-K239 WeakPolarHBondContact OD1-CE 3.45Å; D236-K239 IonicContact OD1-NZ 2.74Å; D236-K239 PolarHBondContact OD1-NZ 3.21Å; K239-H241 VanDerWaalsContact C-N 3.26Å; K239-H241 PolarHBondContact O-N 3.28Å
240R58.9Low58.8Low175 Ų175113.7 Ų113.766%0.6655%0.549SS*.  trans-59.497.6165.5-71-177179.7177.3-1.5106.7S47 Y238 L242S47-R240 VanDerWaalsContact OG-CZ 3.31Å; S47-R240 PolarHBondContact OG-NH2 3.15Å; Y238-R240 PolarHBondContact O-N 2.8Å; R240-L242 VanDerWaalsContact C-N 3.3Å; R240-L242 PolarHBondContact O-N 2.97Å
241H51.1Low60.1Low117 Ų117111.8 Ų111.854%0.54253%0.532SS..  trans-62.7102.2159.6-72.8-82.4000105.4K239 T243K239-H241 VanDerWaalsContact C-N 3.26Å; K239-H241 PolarHBondContact O-N 3.28Å; H241-T243 HydrophobicContact CB-CG2 4.44Å; H241-T243 WeakPolarHBondContact O-CG2 3.46Å; H241-T243 PolarHBondContact O-N 3.1Å
242L51.9Low60.8Low153 Ų153112.5 Ų112.580%0.80153%0.527SS*.  trans-56.8108.2142.4-157.273.8000103.1R240 L244R240-L242 VanDerWaalsContact C-N 3.3Å; R240-L242 PolarHBondContact O-N 2.97Å; L242-L244 PolarHBondContact O-N 3.02Å
243T57.4Low61.4Low119 Ų119118 Ų11873%0.7354%0.541SS*.SBendtrans-6768.9-157.849.90000112.3H241H241-T243 HydrophobicContact CB-CG2 4.44Å; H241-T243 WeakPolarHBondContact O-CG2 3.46Å; H241-T243 PolarHBondContact O-N 3.1Å
244L61.2Low61.7Low91 Ų91114.9 Ų114.948%0.47652%0.522SS..  trans-109.813.1171.3-69.9161.9000109.6L242 W246 F247 T248L242-L244 PolarHBondContact O-N 3.02Å; L244-W246 VanDerWaalsContact C-N 3.35Å; L244-F247 HydrophobicContact CB-CB 4.16Å; L244-F247 HydrophobicContact CD2-CB 3.67Å; L244-F247 HydrophobicContact CD2-CD1 3.83Å; L244-F247 HydrophobicContact CD2-CG 3.91Å; L244-F247 CarbonylContact O-C 3.53Å; L244-F247 PolarHBondContact O-N 3.31Å; L244-T248 WeakPolarHBondContact O-CB 3.45Å; L244-T248 VanDerWaalsContact O-CG2 3.31Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 2.97Å; L244-T248 PolarHBondContact O-OG1 3.06Å
245S61.7Low61.5Low45 Ų45113.6 Ų113.632%0.31552%0.522SS..Hα-helixtrans-69-34.6174.258.40000111.8T248 R249S245-T248 VanDerWaalsContact CA-OG1 3.28Å; S245-T248 WeakPolarHBondContact CA-OG1 3.28Å; S245-T248 PolarHBondContact O-OG1 2.97Å; S245-T248 VanDerWaalsContact O-OG1 3.09Å; S245-R249 WeakPolarHBondContact O-CB 3.31Å; S245-R249 PolarHBondContact O-N 3.36Å
246W62.9Low61.4Low196 Ų196113.2 Ų113.274%0.74253%0.526SS*.Hα-helixtrans-64.5-44.1166.5177.261.5000110.8L244 T248 R249 F250L244-W246 VanDerWaalsContact C-N 3.35Å; W246-T248 PolarHBondContact O-N 2.97Å; W246-R249 PolarHBondContact O-N 3.04Å; W246-F250 WeakPolarHBondContact O-CB 3.38Å; W246-F250 PolarHBondContact O-N 3.2Å
247F66Low61Low91 Ų91117.5 Ų117.540%0.39954%0.537SS..Hα-helixtrans-66.1-34.6178.5-167.5-111.1000112.7L244 L251L244-F247 HydrophobicContact CB-CB 4.16Å; L244-F247 HydrophobicContact CD2-CB 3.67Å; L244-F247 HydrophobicContact CD2-CD1 3.83Å; L244-F247 HydrophobicContact CD2-CG 3.91Å; L244-F247 CarbonylContact O-C 3.53Å; L244-F247 PolarHBondContact O-N 3.31Å; F247-L251 HydrophobicContact CD1-CD1 3.46Å; F247-L251 VanDerWaalsContact CD1-CD1 3.46Å; F247-L251 HydrophobicContact CD1-CG 3.91Å; F247-L251 HydrophobicContact CE1-CD1 3.19Å; F247-L251 HydrophobicContact CE1-CD2 4.24Å; F247-L251 HydrophobicContact CE1-CG 3.72Å; F247-L251 HydrophobicContact CE2-CD2 4.49Å; F247-L251 HydrophobicContact CE2-CG 4.34Å; F247-L251 HydrophobicContact CG-CD1 4.34Å; F247-L251 HydrophobicContact CG-CG 4.34Å; F247-L251 HydrophobicContact CZ-CD1 3.85Å; F247-L251 HydrophobicContact CZ-CD2 4.02Å; F247-L251 HydrophobicContact CZ-CG 3.93Å; F247-L251 WeakPolarHBondContact O-CA 3.14Å; F247-L251 WeakPolarHBondContact O-CB 3.5Å; F247-L251 WeakPolarHBondContact O-CG 3.32Å; F247-L251 PolarHBondContact O-N 3.09Å
248T66.3Low59.9Low69 Ų69115.6 Ų115.642%0.42353%0.529SS..Hα-helixtrans-76.9-33.8175.850.60000111.8L244 S245 W246 R252L244-T248 WeakPolarHBondContact O-CB 3.45Å; L244-T248 VanDerWaalsContact O-CG2 3.31Å; L244-T248 WeakPolarHBondContact O-CG2 3.45Å; L244-T248 PolarHBondContact O-N 2.97Å; L244-T248 PolarHBondContact O-OG1 3.06Å; S245-T248 VanDerWaalsContact CA-OG1 3.28Å; S245-T248 WeakPolarHBondContact CA-OG1 3.28Å; S245-T248 PolarHBondContact O-OG1 2.97Å; S245-T248 VanDerWaalsContact O-OG1 3.09Å; W246-T248 PolarHBondContact O-N 2.97Å; T248-R252 WeakPolarHBondContact O-CB 3.28Å; T248-R252 PolarHBondContact O-N 2.94Å
249R64.7Low59.1Low197 Ų197119.6 Ų119.674%0.74356%0.556SS**Hα-helixtrans-68.7-38.2168.7-80.3-177.5176.6143.9-0.2111.9S245 W246 R252 R253S245-R249 WeakPolarHBondContact O-CB 3.31Å; S245-R249 PolarHBondContact O-N 3.36Å; W246-R249 PolarHBondContact O-N 3.04Å; R249-R252 PolarHBondContact O-N 3.06Å; R249-R253 VanDerWaalsContact O-CB 3.23Å; R249-R253 WeakPolarHBondContact O-CB 3.25Å; R249-R253 PolarHBondContact O-N 3.21Å
250F67.2Low58.8Low90 Ų90125.4 Ų125.440%0.39558%0.575SS.*Hα-helixtrans-66.9-49.1174.9179.7-99.2000111.2W246 R252 R253 H254W246-F250 WeakPolarHBondContact O-CB 3.38Å; W246-F250 PolarHBondContact O-N 3.2Å; F250-R252 VanDerWaalsContact C-N 3.35Å; F250-R252 PolarHBondContact O-N 2.7Å; F250-R253 CarbonylContact O-C 3.45Å; F250-R253 PolarHBondContact O-N 2.65Å; F250-H254 AromaticContact CD2-CD2 3.69Å; F250-H254 AromaticContact CE1-CD2 3.91Å; F250-H254 AromaticContact CE2-CD2 3.35Å; F250-H254 WeakPolarHBondContact CE2-CD2 3.23Å; F250-H254 AromaticContact CE2-NE2 3.35Å; F250-H254 WeakPolarHBondContact CE2-NE2 3.46Å; F250-H254 AromaticContact CZ-CD2 3.47Å; F250-H254 VanDerWaalsContact CZ-CD2 3.47Å; F250-H254 WeakPolarHBondContact CZ-CD2 3.11Å; F250-H254 AromaticContact CZ-NE2 3.62Å; F250-H254 WeakPolarHBondContact O-CB 3.43Å; F250-H254 PolarHBondContact O-CD2 3.32Å; F250-H254 PolarHBondContact O-N 2.98Å
251L67.5Low58.5Low80 Ų80121 Ų12142%0.41956%0.564SS.*Hα-helixtrans-63.4-37.3173.7-76.9-179.1000111.7F247 R253 H254 A255F247-L251 HydrophobicContact CD1-CD1 3.46Å; F247-L251 VanDerWaalsContact CD1-CD1 3.46Å; F247-L251 HydrophobicContact CD1-CG 3.91Å; F247-L251 HydrophobicContact CE1-CD1 3.19Å; F247-L251 HydrophobicContact CE1-CD2 4.24Å; F247-L251 HydrophobicContact CE1-CG 3.72Å; F247-L251 HydrophobicContact CE2-CD2 4.49Å; F247-L251 HydrophobicContact CE2-CG 4.34Å; F247-L251 HydrophobicContact CG-CD1 4.34Å; F247-L251 HydrophobicContact CG-CG 4.34Å; F247-L251 HydrophobicContact CZ-CD1 3.85Å; F247-L251 HydrophobicContact CZ-CD2 4.02Å; F247-L251 HydrophobicContact CZ-CG 3.93Å; F247-L251 WeakPolarHBondContact O-CA 3.14Å; F247-L251 WeakPolarHBondContact O-CB 3.5Å; F247-L251 WeakPolarHBondContact O-CG 3.32Å; F247-L251 PolarHBondContact O-N 3.09Å; L251-R253 VanDerWaalsContact C-N 3.33Å; L251-H254 PolarHBondContact O-N 2.99Å; L251-A255 WeakPolarHBondContact O-CA 3.39Å; L251-A255 WeakPolarHBondContact O-CB 3.15Å; L251-A255 PolarHBondContact O-N 2.98Å
252R64.1Low58.9Low200 Ų200119.1 Ų119.176%0.75557%0.565SS**Hα-helixtrans-70.5-32.6176.9-162.3-179.6-60.1-167.10.8111.7T248 R249 F250T248-R252 WeakPolarHBondContact O-CB 3.28Å; T248-R252 PolarHBondContact O-N 2.94Å; R249-R252 PolarHBondContact O-N 3.06Å; F250-R252 VanDerWaalsContact C-N 3.35Å; F250-R252 PolarHBondContact O-N 2.7Å
253R61Low59.3Low197 Ų197116.3 Ų116.374%0.74355%0.553SS**Hα-helixtrans-77-25.9174.8-165.8168.7177.8161.9-1.5113.1R249 F250 L251 S256 Y257R249-R253 VanDerWaalsContact O-CB 3.23Å; R249-R253 WeakPolarHBondContact O-CB 3.25Å; R249-R253 PolarHBondContact O-N 3.21Å; F250-R253 CarbonylContact O-C 3.45Å; F250-R253 PolarHBondContact O-N 2.65Å; L251-R253 VanDerWaalsContact C-N 3.33Å; R253-S256 PolarHBondContact O-OG 3.29Å; R253-S256 VanDerWaalsContact O-OG 3.13Å; R253-Y257 VanDerWaalsContact O-CD2 3.3Å; R253-Y257 WeakPolarHBondContact O-CD2 3.35Å
254H59.4Low59.7Low76 Ų76116.6 Ų116.635%0.35255%0.549SS..Hα-helixtrans-97-25.5176-84.5-79.4000114.2F250 L251 S256 Y257 F258F250-H254 AromaticContact CD2-CD2 3.69Å; F250-H254 AromaticContact CE1-CD2 3.91Å; F250-H254 AromaticContact CE2-CD2 3.35Å; F250-H254 WeakPolarHBondContact CE2-CD2 3.23Å; F250-H254 AromaticContact CE2-NE2 3.35Å; F250-H254 WeakPolarHBondContact CE2-NE2 3.46Å; F250-H254 AromaticContact CZ-CD2 3.47Å; F250-H254 VanDerWaalsContact CZ-CD2 3.47Å; F250-H254 WeakPolarHBondContact CZ-CD2 3.11Å; F250-H254 AromaticContact CZ-NE2 3.62Å; F250-H254 WeakPolarHBondContact O-CB 3.43Å; F250-H254 PolarHBondContact O-CD2 3.32Å; F250-H254 PolarHBondContact O-N 2.98Å; L251-H254 PolarHBondContact O-N 2.99Å; H254-S256 VanDerWaalsContact C-N 3.25Å; H254-S256 PolarHBondContact O-N 2.96Å; H254-Y257 WeakPolarHBondContact O-CA 3.44Å; H254-Y257 WeakPolarHBondContact O-CB 3.16Å; H254-Y257 PolarHBondContact O-N 3.4Å; H254-F258 HydrophobicContact CB-CD2 4.38Å; H254-F258 HydrophobicContact CB-CE2 4.37Å; H254-F258 VanDerWaalsContact O-CD2 3.23Å; H254-F258 WeakPolarHBondContact O-CD2 3.08Å; H254-F258 PolarHBondContact O-N 2.96Å
255A55.4Low59.9Low48 Ų48120.7 Ų120.740%0.39756%0.558SS.*Hα-helixtrans-65.8-30.6177.800000111.5L251 Y257 F258 T259L251-A255 WeakPolarHBondContact O-CA 3.39Å; L251-A255 WeakPolarHBondContact O-CB 3.15Å; L251-A255 PolarHBondContact O-N 2.98Å; A255-Y257 PolarHBondContact O-N 3.31Å; A255-F258 PolarHBondContact O-N 3.06Å; A255-T259 WeakPolarHBondContact O-CG2 2.94Å; A255-T259 PolarHBondContact O-N 3.3Å; A255-T259 PolarHBondContact O-OG1 3.24Å
256S53.8Low60.2Low73 Ų73125 Ų12551%0.5157%0.568SS.*Hα-helixtrans-67-18.6170.747.50000113.9R253 H254 T259R253-S256 PolarHBondContact O-OG 3.29Å; R253-S256 VanDerWaalsContact O-OG 3.13Å; H254-S256 VanDerWaalsContact C-N 3.25Å; H254-S256 PolarHBondContact O-N 2.96Å; S256-T259 PolarHBondContact O-OG1 3.5Å
257Y52.2Low60.7Low174 Ų174119.8 Ų119.868%0.68256%0.555SS**Hα-helixtrans-93-27.7171.6-72.9-85.4000112.5R253 H254 A255R253-Y257 VanDerWaalsContact O-CD2 3.3Å; R253-Y257 WeakPolarHBondContact O-CD2 3.35Å; H254-Y257 WeakPolarHBondContact O-CA 3.44Å; H254-Y257 WeakPolarHBondContact O-CB 3.16Å; H254-Y257 PolarHBondContact O-N 3.4Å; A255-Y257 PolarHBondContact O-N 3.31Å
258F48.4Very low61.3Low98 Ų98124.2 Ų124.243%0.4357%0.569SS.*Hα-helixtrans-79.7-15.7178.8-81.8-68.3000114.4H254 A255 R260 L269H254-F258 HydrophobicContact CB-CD2 4.38Å; H254-F258 HydrophobicContact CB-CE2 4.37Å; H254-F258 VanDerWaalsContact O-CD2 3.23Å; H254-F258 WeakPolarHBondContact O-CD2 3.08Å; H254-F258 PolarHBondContact O-N 2.96Å; A255-F258 PolarHBondContact O-N 3.06Å; F258-R260 PolarHBondContact O-N 3.46Å; F258-L269 HydrophobicContact CD1-CD2 3.65Å; F258-L269 HydrophobicContact CE1-CD2 3.15Å; F258-L269 HydrophobicContact CZ-CD2 3.81Å
259T49.6Very low62.1Low112 Ų112124 Ų12469%0.68756%0.564SS**THydrogen-bonded Turntrans-790.2177.948.60000114.6A255 S256A255-T259 WeakPolarHBondContact O-CG2 2.94Å; A255-T259 PolarHBondContact O-N 3.3Å; A255-T259 PolarHBondContact O-OG1 3.24Å; S256-T259 PolarHBondContact O-OG1 3.5Å
260R53.8Low62.8Low232 Ų232117.9 Ų117.988%0.87555%0.549SS*.THydrogen-bonded Turntrans-106.87.9175.7-82.8-165.6177.8-152.61.3115.6F258F258-R260 PolarHBondContact O-N 3.46Å
261L52.3Low63.7Low82 Ų82119.7 Ų119.743%0.42956%0.562SS.*SBendtrans-102.1131.8175.6-94.670000111R265L261-R265 HydrophobicContact CB-CB 4.45Å; L261-R265 HydrophobicContact CD2-CB 4.39Å; L261-R265 HydrophobicContact CD2-CG 4.12Å
262S60.1Low64.7Low79 Ų79121.6 Ų121.655%0.55257%0.572SS**  trans-39137.5175.4164.50000112.5I264 R265 R266S262-I264 PolarHBondContact O-N 2.8Å; S262-R265 WeakPolarHBondContact O-CA 3.3Å; S262-R265 WeakPolarHBondContact O-CB 3.47Å; S262-R265 PolarHBondContact O-N 2.83Å; S262-R266 PolarHBondContact O-N 3.43Å
263V59.8Low65.9Low93 Ų93116.4 Ų116.456%0.56456%0.559SS**Hα-helixtrans-46.9-33.1-176.8178.20000112.7R266 N267V263-R266 PolarHBondContact O-N 2.76Å; V263-N267 PolarHBondContact O-N 3.03Å
264I65.7Low67.2Low125 Ų125112.2 Ų112.264%0.64155%0.548SS*.Hα-helixtrans-68.3-38.2178.1-65.9163.5000112.1S262 R268S262-I264 PolarHBondContact O-N 2.8Å; I264-R268 PolarHBondContact O-N 2.71Å
265R66.6Low68.8Low177 Ų177110.3 Ų110.367%0.66855%0.55SS*.Hα-helixtrans-76.9-29.8180-143.5167.5-173.5140.71.3111.4L261 S262 L269L261-R265 HydrophobicContact CB-CB 4.45Å; L261-R265 HydrophobicContact CD2-CB 4.39Å; L261-R265 HydrophobicContact CD2-CG 4.12Å; S262-R265 WeakPolarHBondContact O-CA 3.3Å; S262-R265 WeakPolarHBondContact O-CB 3.47Å; S262-R265 PolarHBondContact O-N 2.83Å; R265-L269 WeakPolarHBondContact O-CB 3.35Å; R265-L269 PolarHBondContact O-N 3.45Å; R265-L269 VanDerWaalsContact O-N 3.09Å
266R66.9Low70.5Confident135 Ų135111.6 Ų111.651%0.50956%0.555SS.*Hα-helixtrans-65.1-48173-166.7175.474.7-173.25111.6S262 V263 R268 L269 T270S262-R266 PolarHBondContact O-N 3.43Å; V263-R266 PolarHBondContact O-N 2.76Å; R266-R268 PolarHBondContact O-N 3.44Å; R266-L269 PolarHBondContact O-N 3.43Å; R266-T270 WeakPolarHBondContact O-CG2 3.26Å; R266-T270 PolarHBondContact O-N 3.48Å; R266-T270 PolarHBondContact O-OG1 2.96Å
267N73.2Confident72.2Confident88 Ų88112.3 Ų112.347%0.47155%0.552SS.*Hα-helixtrans-67.1-35.8179.6-73.49.1000112.7V263 T270 L271V263-N267 PolarHBondContact O-N 3.03Å; N267-T270 VanDerWaalsContact CA-OG1 3.31Å; N267-T270 WeakPolarHBondContact CA-OG1 3.22Å; N267-T270 PolarHBondContact O-OG1 3.13Å; N267-L271 WeakPolarHBondContact O-CB 3.23Å; N267-L271 WeakPolarHBondContact O-CG 3.35Å; N267-L271 PolarHBondContact O-N 3.35Å
268R80.4Confident74Confident184 Ų184108.4 Ų108.469%0.69454%0.542SS*.Hα-helixtrans-66.4-39.3174.1-77.3-172166.3-168.3-3.3112.7I264 R266 L272I264-R268 PolarHBondContact O-N 2.71Å; R266-R268 PolarHBondContact O-N 3.44Å; R268-L272 PolarHBondContact O-N 3.45Å
269L81.2Confident75.9Confident64 Ų64106.7 Ų106.734%0.33554%0.542SS..Hα-helixtrans-68-42.9176.5-172.781.1000111.7F258 R265 R266 L271 L272 I273F258-L269 HydrophobicContact CD1-CD2 3.65Å; F258-L269 HydrophobicContact CE1-CD2 3.15Å; F258-L269 HydrophobicContact CZ-CD2 3.81Å; R265-L269 WeakPolarHBondContact O-CB 3.35Å; R265-L269 PolarHBondContact O-N 3.45Å; R265-L269 VanDerWaalsContact O-N 3.09Å; R266-L269 PolarHBondContact O-N 3.43Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.35Å; L269-L272 PolarHBondContact O-N 3.34Å; L269-I273 HydrophobicContact CD2-CD1 4.32Å; L269-I273 HydrophobicContact CG-CD1 4.02Å; L269-I273 WeakPolarHBondContact O-CG1 3.47Å; L269-I273 PolarHBondContact O-N 3.27Å
270T80.4Confident77.7Confident69 Ų69107 Ų10742%0.42354%0.538SS..Hα-helixtrans-63.6-39177.450.50000111.7R266 N267 I273 M274R266-T270 WeakPolarHBondContact O-CG2 3.26Å; R266-T270 PolarHBondContact O-N 3.48Å; R266-T270 PolarHBondContact O-OG1 2.96Å; N267-T270 VanDerWaalsContact CA-OG1 3.31Å; N267-T270 WeakPolarHBondContact CA-OG1 3.22Å; N267-T270 PolarHBondContact O-OG1 3.13Å; T270-I273 PolarHBondContact O-N 3.36Å; T270-M274 WeakPolarHBondContact O-CB 3.35Å; T270-M274 VanDerWaalsContact O-CG 3.29Å; T270-M274 WeakPolarHBondContact O-CG 3.48Å; T270-M274 PolarHBondContact O-N 3.34Å
271L85.2Confident79.2Confident128 Ų128102.2 Ų102.267%0.6752%0.524SS*.Hα-helixtrans-65.5-39.1174.5-74.7174.7000112.4N267 L269 G275N267-L271 WeakPolarHBondContact O-CB 3.23Å; N267-L271 WeakPolarHBondContact O-CG 3.35Å; N267-L271 PolarHBondContact O-N 3.35Å; L269-L271 VanDerWaalsContact C-N 3.32Å; L269-L271 PolarHBondContact O-N 3.35Å; L271-G275 PolarHBondContact O-N 3.4Å
272L89.5Confident80.8Confident120 Ų120102.3 Ų102.363%0.62853%0.525SS*.Hα-helixtrans-63.7-43.9174.3-89.1176000112.3R268 L269 G275 C276R268-L272 PolarHBondContact O-N 3.45Å; L269-L272 PolarHBondContact O-N 3.34Å; L272-G275 PolarHBondContact O-N 3.22Å; L272-C276 PolarHBondContact O-N 2.93Å; L272-C276 PolarHBondContact O-SG 3.2Å; L272-C276 VanDerWaalsContact O-SG 3.37Å
273I88.2Confident81.8Confident91 Ų91104.2 Ų104.247%0.46753%0.528SS..Hα-helixtrans-64.2-45.6178.7-66.6166.1000110.7L269 T270 G275 C276 I277L269-I273 HydrophobicContact CD2-CD1 4.32Å; L269-I273 HydrophobicContact CG-CD1 4.02Å; L269-I273 WeakPolarHBondContact O-CG1 3.47Å; L269-I273 PolarHBondContact O-N 3.27Å; T270-I273 PolarHBondContact O-N 3.36Å; I273-G275 VanDerWaalsContact C-N 3.33Å; I273-G275 PolarHBondContact O-N 3.26Å; I273-C276 PolarHBondContact O-N 2.67Å; I273-I277 HydrophobicContact CG2-CD1 4.01Å; I273-I277 WeakPolarHBondContact O-CG1 3.29Å; I273-I277 PolarHBondContact O-N 3.46Å
274M90.2Very high82.5Confident108 Ų108101.9 Ų101.953%0.53252%0.522SS..Hα-helixtrans-61.9-41.4175.7-69.6-60.7-67.500111.4T270 C276 I277 I278T270-M274 WeakPolarHBondContact O-CB 3.35Å; T270-M274 VanDerWaalsContact O-CG 3.29Å; T270-M274 WeakPolarHBondContact O-CG 3.48Å; T270-M274 PolarHBondContact O-N 3.34Å; M274-C276 PolarHBondContact O-N 2.86Å; M274-I277 PolarHBondContact O-N 3.35Å; M274-I278 VanDerWaalsContact O-CG1 3.23Å; M274-I278 WeakPolarHBondContact O-CG1 3.46Å; M274-I278 PolarHBondContact O-N 3Å
275G92.6Very high82.7Confident37 Ų37103.2 Ų103.238%0.38152%0.524SS..Hα-helixtrans-61.3-41.4174.800000113.2L271 L272 I273 S279L271-G275 PolarHBondContact O-N 3.4Å; L272-G275 PolarHBondContact O-N 3.22Å; I273-G275 VanDerWaalsContact C-N 3.33Å; I273-G275 PolarHBondContact O-N 3.26Å; G275-S279 VanDerWaalsContact O-CB 3.3Å; G275-S279 WeakPolarHBondContact O-CB 3.24Å; G275-S279 PolarHBondContact O-N 3.28Å
276C90.8Very high82.7Confident74 Ų74104.1 Ų104.150%0.553%0.529SS..Hα-helixtrans-64.3-43174.3-72.50000112.2L272 I273 M274 S279 I280L272-C276 PolarHBondContact O-N 2.93Å; L272-C276 PolarHBondContact O-SG 3.2Å; L272-C276 VanDerWaalsContact O-SG 3.37Å; I273-C276 PolarHBondContact O-N 2.67Å; M274-C276 PolarHBondContact O-N 2.86Å; C276-S279 PolarHBondContact O-N 3.39Å; C276-I280 VanDerWaalsContact O-CG1 3.26Å; C276-I280 WeakPolarHBondContact O-CG1 3.49Å; C276-I280 PolarHBondContact O-N 3.31Å
277I90.2Very high82.2Confident88 Ų88100.5 Ų100.545%0.45153%0.533SS..Hα-helixtrans-62.7-46.5177.9-67.1167.3000110.5I273 M274 S279 I280 F281I273-I277 HydrophobicContact CG2-CD1 4.01Å; I273-I277 WeakPolarHBondContact O-CG1 3.29Å; I273-I277 PolarHBondContact O-N 3.46Å; M274-I277 PolarHBondContact O-N 3.35Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 3.04Å; I277-I280 PolarHBondContact O-N 3.31Å; I277-F281 PolarHBondContact O-N 3.41Å
278I90Very high81.3Confident93 Ų93100.4 Ų100.448%0.47754%0.54SS..Hα-helixtrans-61.5-44.9176.5-65.5167.2000109.7M274 I280 F281 L282M274-I278 VanDerWaalsContact O-CG1 3.23Å; M274-I278 WeakPolarHBondContact O-CG1 3.46Å; M274-I278 PolarHBondContact O-N 3Å; I278-I280 VanDerWaalsContact C-N 3.35Å; I278-I280 PolarHBondContact O-N 2.9Å; I278-F281 WeakPolarHBondContact O-CB 3.35Å; I278-F281 PolarHBondContact O-N 3.32Å; I278-F281 VanDerWaalsContact O-N 3.16Å; I278-L282 HydrophobicContact CG2-CD1 3.84Å; I278-L282 HydrophobicContact CG2-CG 4.22Å; I278-L282 VanDerWaalsContact O-CG 3.27Å; I278-L282 WeakPolarHBondContact O-CG 3.26Å; I278-L282 PolarHBondContact O-N 3.31Å
279S88Confident80Confident61 Ų61100.6 Ų100.643%0.42755%0.549SS..Hα-helixtrans-61.5-39.9178-179.30000112.7G275 C276 I277 L282 L283G275-S279 VanDerWaalsContact O-CB 3.3Å; G275-S279 WeakPolarHBondContact O-CB 3.24Å; G275-S279 PolarHBondContact O-N 3.28Å; C276-S279 PolarHBondContact O-N 3.39Å; I277-S279 VanDerWaalsContact C-N 3.35Å; I277-S279 PolarHBondContact O-N 3.04Å; S279-L282 PolarHBondContact O-N 3.47Å; S279-L283 WeakPolarHBondContact O-CB 3.36Å; S279-L283 WeakPolarHBondContact O-CD1 3.44Å; S279-L283 VanDerWaalsContact O-CG 3.24Å; S279-L283 WeakPolarHBondContact O-CG 3.27Å; S279-L283 PolarHBondContact O-N 2.96Å
280I87.2Confident78.6Confident118 Ų118102.3 Ų102.361%0.60556%0.564SS**Hα-helixtrans-65.3-42.2174.4-68.9164.1000110.5C276 I277 I278 L283 G284C276-I280 VanDerWaalsContact O-CG1 3.26Å; C276-I280 WeakPolarHBondContact O-CG1 3.49Å; C276-I280 PolarHBondContact O-N 3.31Å; I277-I280 PolarHBondContact O-N 3.31Å; I278-I280 VanDerWaalsContact C-N 3.35Å; I278-I280 PolarHBondContact O-N 2.9Å; I280-L283 PolarHBondContact O-N 3.16Å; I280-G284 PolarHBondContact O-N 2.92Å
281F85.2Confident77.1Confident132 Ų132105.6 Ų105.658%0.57958%0.578SS**Hα-helixtrans-61-48.9175.6-126.9-104000110.6I277 I278 L283 G284 F285I277-F281 PolarHBondContact O-N 3.41Å; I278-F281 WeakPolarHBondContact O-CB 3.35Å; I278-F281 PolarHBondContact O-N 3.32Å; I278-F281 VanDerWaalsContact O-N 3.16Å; F281-L283 PolarHBondContact O-N 2.87Å; F281-G284 PolarHBondContact O-N 3.46Å; F281-G284 VanDerWaalsContact O-N 3.13Å; F281-F285 AromaticContact CD1-CD2 3.58Å; F281-F285 HydrophobicContact CD1-CD2 3.58Å; F281-F285 AromaticContact CD1-CE2 3.33Å; F281-F285 HydrophobicContact CD1-CE2 3.33Å; F281-F285 HydrophobicContact CD1-CZ 4.39Å; F281-F285 AromaticContact CE1-CD2 3.95Å; F281-F285 HydrophobicContact CE1-CD2 3.95Å; F281-F285 AromaticContact CE1-CE2 3.18Å; F281-F285 HydrophobicContact CE1-CE2 3.18Å; F281-F285 AromaticContact CE1-CZ 3.93Å; F281-F285 HydrophobicContact CE1-CZ 3.93Å; F281-F285 HydrophobicContact CG-CD2 4.34Å; F281-F285 HydrophobicContact CG-CE2 4.27Å; F281-F285 AromaticContact CZ-CE2 3.99Å; F281-F285 HydrophobicContact CZ-CE2 3.99Å; F281-F285 WeakPolarHBondContact O-CB 3.22Å; F281-F285 VanDerWaalsContact O-CD2 3.26Å; F281-F285 WeakPolarHBondContact O-CD2 3.44Å; F281-F285 PolarHBondContact O-N 2.81Å
282L85.2Confident75.7Confident85 Ų85106 Ų10645%0.44558%0.58SS.*Hα-helixtrans-62.6-41.3177.8-63.2171.7000111.2I278 S279 G284 F285 Y286I278-L282 HydrophobicContact CG2-CD1 3.84Å; I278-L282 HydrophobicContact CG2-CG 4.22Å; I278-L282 VanDerWaalsContact O-CG 3.27Å; I278-L282 WeakPolarHBondContact O-CG 3.26Å; I278-L282 PolarHBondContact O-N 3.31Å; S279-L282 PolarHBondContact O-N 3.47Å; L282-G284 VanDerWaalsContact C-N 3.32Å; L282-G284 PolarHBondContact O-N 2.85Å; L282-F285 PolarHBondContact O-N 3.13Å; L282-Y286 HydrophobicContact CB-CD2 3.93Å; L282-Y286 HydrophobicContact CB-CE2 4.08Å; L282-Y286 HydrophobicContact CD2-CD2 4.34Å; L282-Y286 HydrophobicContact CD2-CE2 3.65Å; L282-Y286 HydrophobicContact CG-CE2 4.37Å; L282-Y286 VanDerWaalsContact O-CB 3.28Å; L282-Y286 WeakPolarHBondContact O-CB 3.1Å; L282-Y286 WeakPolarHBondContact O-CD2 3.28Å; L282-Y286 PolarHBondContact O-N 3.42Å
283L81.5Confident74Confident119 Ų119106 Ų10662%0.62359%0.585SS**Hα-helixtrans-64.4-35.1174.4-74.2164.3000112.4S279 I280 F281 G287S279-L283 WeakPolarHBondContact O-CB 3.36Å; S279-L283 WeakPolarHBondContact O-CD1 3.44Å; S279-L283 VanDerWaalsContact O-CG 3.24Å; S279-L283 WeakPolarHBondContact O-CG 3.27Å; S279-L283 PolarHBondContact O-N 2.96Å; I280-L283 PolarHBondContact O-N 3.16Å; F281-L283 PolarHBondContact O-N 2.87Å; L283-G287 WeakPolarHBondContact O-CA 3.31Å; L283-G287 PolarHBondContact O-N 3.5Å
284G73.5Confident72.5Confident43 Ų43104.7 Ų104.744%0.44359%0.594SS.*Hα-helixtrans-71.6-35.3174.600000113.4I280 F281 L282I280-G284 PolarHBondContact O-N 2.92Å; F281-G284 PolarHBondContact O-N 3.46Å; F281-G284 VanDerWaalsContact O-N 3.13Å; L282-G284 VanDerWaalsContact C-N 3.32Å; L282-G284 PolarHBondContact O-N 2.85Å
285F69.8Low71.1Confident153 Ų153103.1 Ų103.167%0.67159%0.588SS**Hα-helixtrans-83.4-33.9179.4-86.4-90.1000113.2F281 L282F281-F285 AromaticContact CD1-CD2 3.58Å; F281-F285 HydrophobicContact CD1-CD2 3.58Å; F281-F285 AromaticContact CD1-CE2 3.33Å; F281-F285 HydrophobicContact CD1-CE2 3.33Å; F281-F285 HydrophobicContact CD1-CZ 4.39Å; F281-F285 AromaticContact CE1-CD2 3.95Å; F281-F285 HydrophobicContact CE1-CD2 3.95Å; F281-F285 AromaticContact CE1-CE2 3.18Å; F281-F285 HydrophobicContact CE1-CE2 3.18Å; F281-F285 AromaticContact CE1-CZ 3.93Å; F281-F285 HydrophobicContact CE1-CZ 3.93Å; F281-F285 HydrophobicContact CG-CD2 4.34Å; F281-F285 HydrophobicContact CG-CE2 4.27Å; F281-F285 AromaticContact CZ-CE2 3.99Å; F281-F285 HydrophobicContact CZ-CE2 3.99Å; F281-F285 WeakPolarHBondContact O-CB 3.22Å; F281-F285 VanDerWaalsContact O-CD2 3.26Å; F281-F285 WeakPolarHBondContact O-CD2 3.44Å; F281-F285 PolarHBondContact O-N 2.81Å; L282-F285 PolarHBondContact O-N 3.13Å
286Y66.6Low69.5Low196 Ų196105.8 Ų105.877%0.76960%0.598SS**Hα-helixtrans-91.5-21.6177.4-67-66.4000113.3L282L282-Y286 HydrophobicContact CB-CD2 3.93Å; L282-Y286 HydrophobicContact CB-CE2 4.08Å; L282-Y286 HydrophobicContact CD2-CD2 4.34Å; L282-Y286 HydrophobicContact CD2-CE2 3.65Å; L282-Y286 HydrophobicContact CG-CE2 4.37Å; L282-Y286 VanDerWaalsContact O-CB 3.28Å; L282-Y286 WeakPolarHBondContact O-CB 3.1Å; L282-Y286 WeakPolarHBondContact O-CD2 3.28Å; L282-Y286 PolarHBondContact O-N 3.42Å
287G58Low68.2Low59 Ų59109.9 Ų109.961%0.60861%0.614SS**SBendtrans-95.43.5-178.900000115.2L283L283-G287 WeakPolarHBondContact O-CA 3.31Å; L283-G287 PolarHBondContact O-N 3.5Å
288S53.4Low66.8Low86 Ų86111.7 Ų111.760%0.60162%0.624SS**  trans-132.865.4179.2-730000111.5P290S288-P290 VanDerWaalsContact C-CD 3.48Å; S288-P290 VanDerWaalsContact O-CD 3.22Å; S288-P290 WeakPolarHBondContact O-CD 3.43Å
289Q52.6Low65.6Low189 Ų189110.7 Ų110.788%0.88362%0.62SS**  trans-85.3101.6136.1-90.9-155.8-7200106.7D291Q289-D291 PolarHBondContact O-N 3.38Å
290P51.9Low64.5Low100 Ų100110.7 Ų110.765%0.64962%0.619SS**  trans-66.1117.4163.927.4-29.9000106.9S288 I292S288-P290 VanDerWaalsContact C-CD 3.48Å; S288-P290 VanDerWaalsContact O-CD 3.22Å; S288-P290 WeakPolarHBondContact O-CD 3.43Å; P290-I292 VanDerWaalsContact C-N 3.27Å; P290-I292 HydrophobicContact CB-CG2 4.29Å; P290-I292 HydrophobicContact CG-CG2 4.26Å; P290-I292 WeakPolarHBondContact O-CG2 3.35Å; P290-I292 PolarHBondContact O-N 2.85Å
291D49.7Very low63.4Low137 Ų137111.9 Ų111.973%0.73362%0.621SS**  trans-69.191.7168.5-148.2-12.8000106.6Q289 T293Q289-D291 PolarHBondContact O-N 3.38Å; D291-T293 PolarHBondContact O-N 3.31Å; D291-T293 PolarHBondContact OD1-OG1 2.78Å
292I55.4Low62.4Low137 Ų137111.9 Ų111.970%0.70363%0.625SS**THydrogen-bonded Turntrans-72.79.8-174.266.4161.7000113.1P290P290-I292 VanDerWaalsContact C-N 3.27Å; P290-I292 HydrophobicContact CB-CG2 4.29Å; P290-I292 HydrophobicContact CG-CG2 4.26Å; P290-I292 WeakPolarHBondContact O-CG2 3.35Å; P290-I292 PolarHBondContact O-N 2.85Å
293T54Low61.3Low119 Ų119111.1 Ų111.173%0.7362%0.621SS**THydrogen-bonded Turntrans-89.51.6-167.650.40000114D291D291-T293 PolarHBondContact O-N 3.31Å; D291-T293 PolarHBondContact OD1-OG1 2.78Å
294G56.5Low60.7Low64 Ų64111 Ų11166%0.6663%0.627SS**  trans-146.219.9-173.100000116.5P296G294-P296 WeakPolarHBondContact O-CD 3.48Å
295D60.4Low60.2Low76 Ų76115.9 Ų115.941%0.40664%0.643SS.*  trans-81.2109175.2-170.9-10.1000110.4L297 L298 D299D295-L297 PolarHBondContact O-N 2.87Å; D295-L297 VanDerWaalsContact OD1-CB 3.28Å; D295-L297 WeakPolarHBondContact OD1-CB 3.23Å; D295-L297 PolarHBondContact OD1-N 3.48Å; D295-L298 HydrophobicContact CB-CB 4.22Å; D295-L298 HydrophobicContact CB-CD1 4.01Å; D295-L298 HydrophobicContact CB-CG 4.47Å; D295-L298 PolarHBondContact O-N 3.21Å; D295-L298 WeakPolarHBondContact OD2-CD1 3.44Å; D295-D299 PolarHBondContact O-N 3.43Å
296P60.7Low59.9Low92 Ų92112.1 Ų112.160%0.59763%0.629SS**THydrogen-bonded Turntrans-63.7-12.3179.726.9-34.3000113.2G294G294-P296 WeakPolarHBondContact O-CD 3.48Å
297L61.9Low59.4Low161 Ų161113.5 Ų113.584%0.84363%0.633SS**THydrogen-bonded Turntrans-83.7-18.9174.7-144.1104.4000113.2D295D295-L297 PolarHBondContact O-N 2.87Å; D295-L297 VanDerWaalsContact OD1-CB 3.28Å; D295-L297 WeakPolarHBondContact OD1-CB 3.23Å; D295-L297 PolarHBondContact OD1-N 3.48Å
298L62.4Low59.6Low126 Ų126115.5 Ų115.566%0.6663%0.625SS**THydrogen-bonded Turntrans-106.91.3179-74.7160.3000112.5D295 P300D295-L298 HydrophobicContact CB-CB 4.22Å; D295-L298 HydrophobicContact CB-CD1 4.01Å; D295-L298 HydrophobicContact CB-CG 4.47Å; D295-L298 PolarHBondContact O-N 3.21Å; D295-L298 WeakPolarHBondContact OD2-CD1 3.44Å; L298-P300 VanDerWaalsContact O-CD 3.25Å; L298-P300 WeakPolarHBondContact O-CD 3.3Å
299D63.4Low59.7Low71 Ų71119.1 Ų119.138%0.3864%0.638SS.*  trans-69.5114179-163.6-11.7000110.3D295 H301 M302D295-D299 PolarHBondContact O-N 3.43Å; D299-H301 PolarHBondContact O-N 3.17Å; D299-H301 IonicContact OD1-CD2 3.89Å; D299-H301 PolarHBondContact OD1-N 2.89Å; D299-M302 HydrophobicContact CB-CB 4.23Å; D299-M302 HydrophobicContact CB-CG 3.92Å; D299-M302 PolarHBondContact O-N 3.21Å
300P65.6Low59.8Low62 Ų62116.2 Ų116.240%0.40363%0.628SS.*G310 helixtrans-59.9-22.9-177.8-20.131.4000112.9L298 F308L298-P300 VanDerWaalsContact O-CD 3.25Å; L298-P300 WeakPolarHBondContact O-CD 3.3Å; P300-F308 HydrophobicContact CB-CE2 3.98Å; P300-F308 HydrophobicContact CB-CZ 3.57Å
301H64.5Low60Low142 Ų142119.7 Ų119.766%0.65764%0.635SS**G310 helixtrans-77.6-18.4177.4-75-85.8000114.1D299D299-H301 PolarHBondContact O-N 3.17Å; D299-H301 IonicContact OD1-CD2 3.89Å; D299-H301 PolarHBondContact OD1-N 2.89Å
302M63.2Low60.1Low133 Ų133117.7 Ų117.766%0.65563%0.63SS**G310 helixtrans-91-1.4179.3-67.2-67.8-106.700112.8D299 P304D299-M302 HydrophobicContact CB-CB 4.23Å; D299-M302 HydrophobicContact CB-CG 3.92Å; D299-M302 PolarHBondContact O-N 3.21Å; M302-P304 WeakPolarHBondContact O-CD 3.34Å
303N62.7Low60.1Low68 Ų68116.3 Ų116.336%0.36462%0.623SS.*  trans-93.1108.1176.8-171.8-13.1000110.9N305 I306N303-N305 PolarHBondContact O-N 2.97Å; N303-N305 WeakPolarHBondContact OD1-CB 3.48Å; N303-N305 PolarHBondContact OD1-N 3.29Å; N303-N305 VanDerWaalsContact OD1-N 3.1Å; N303-I306 HydrophobicContact CB-CB 4.44Å; N303-I306 HydrophobicContact CB-CD1 3.73Å; N303-I306 HydrophobicContact CB-CG1 3.85Å; N303-I306 WeakPolarHBondContact ND2-CD1 3.47Å; N303-I306 PolarHBondContact O-N 3.47Å
304P68Low60.2Low116 Ų116117.5 Ų117.575%0.75363%0.625SS**THydrogen-bonded Turntrans-64.1-9.7-178.226.2-34.3000114.1M302M302-P304 WeakPolarHBondContact O-CD 3.34Å
305N64.2Low60Low146 Ų146119.2 Ų119.278%0.78163%0.626SS**THydrogen-bonded Turntrans-91.8-6.2175.6-73-34.6000114.3N303N303-N305 PolarHBondContact O-N 2.97Å; N303-N305 WeakPolarHBondContact OD1-CB 3.48Å; N303-N305 PolarHBondContact OD1-N 3.29Å; N303-N305 VanDerWaalsContact OD1-N 3.1Å
306I63.2Low59.7Low74 Ų74120.8 Ų120.838%0.37963%0.634SS.*  trans-102.3107.7179.9-54.6178000109N303 F308N303-I306 HydrophobicContact CB-CB 4.44Å; N303-I306 HydrophobicContact CB-CD1 3.73Å; N303-I306 HydrophobicContact CB-CG1 3.85Å; N303-I306 WeakPolarHBondContact ND2-CD1 3.47Å; N303-I306 PolarHBondContact O-N 3.47Å; I306-F308 HydrophobicContact CB-CE2 4.34Å; I306-F308 HydrophobicContact CG2-CD1 4.4Å; I306-F308 HydrophobicContact CG2-CD2 4.08Å; I306-F308 HydrophobicContact CG2-CE1 3.9Å; I306-F308 HydrophobicContact CG2-CE2 3.54Å; I306-F308 HydrophobicContact CG2-CG 4.48Å; I306-F308 HydrophobicContact CG2-CZ 3.43Å; I306-F308 VanDerWaalsContact CG2-CZ 3.43Å
307R56.6Low59.3Low225 Ų225123.9 Ų123.985%0.84964%0.638SS**  trans-97.7104.7174.1-60.4-173.1-178.3-164.30.5108.7N309R307-N309 PolarHBondContact O-N 2.96Å
308F62.1Low58.8Low102 Ų102118.5 Ų118.545%0.44762%0.621SS.*  trans-78106.8170.6-64.7-75.1000109.3P300 I306 L310P300-F308 HydrophobicContact CB-CE2 3.98Å; P300-F308 HydrophobicContact CB-CZ 3.57Å; I306-F308 HydrophobicContact CB-CE2 4.34Å; I306-F308 HydrophobicContact CG2-CD1 4.4Å; I306-F308 HydrophobicContact CG2-CD2 4.08Å; I306-F308 HydrophobicContact CG2-CE1 3.9Å; I306-F308 HydrophobicContact CG2-CE2 3.54Å; I306-F308 HydrophobicContact CG2-CG 4.48Å; I306-F308 HydrophobicContact CG2-CZ 3.43Å; I306-F308 VanDerWaalsContact CG2-CZ 3.43Å; F308-L310 HydrophobicContact CB-CD1 4.17Å; F308-L310 HydrophobicContact CB-CG 4.35Å; F308-L310 PolarHBondContact O-N 3.45Å
309N55Low58.4Low162 Ų162115.1 Ų115.187%0.86661%0.612SS**  trans-7486.4161.1-74.5-11000107.2R307 E311R307-N309 PolarHBondContact O-N 2.96Å; N309-E311 VanDerWaalsContact C-N 3.34Å; N309-E311 PolarHBondContact O-N 3.24Å
310L53.5Low57.8Low128 Ų128117 Ų11767%0.6762%0.621SS**  trans-73.892.3170.2-80141.3000108.1F308 I313F308-L310 HydrophobicContact CB-CD1 4.17Å; F308-L310 HydrophobicContact CB-CG 4.35Å; F308-L310 PolarHBondContact O-N 3.45Å; L310-I313 HydrophobicContact CD2-CD1 4.42Å
311E57.3Low57.3Low173 Ų173119.4 Ų119.481%0.80863%0.631SS**  trans-63.2140.9152.6-93.9-175.9137.500108.8N309 I313N309-E311 VanDerWaalsContact C-N 3.34Å; N309-E311 PolarHBondContact O-N 3.24Å; E311-I313 PolarHBondContact O-N 3.09Å
312P52.5Low56.6Low95 Ų95117.9 Ų117.962%0.61763%0.627SS**  trans-58.5122.5-177-21.531.9000111.9D314 S315P312-D314 PolarHBondContact O-N 3.05Å; P312-S315 PolarHBondContact O-N 2.98Å
313I55.5Low55.9Low108 Ų108116.7 Ų116.755%0.55462%0.624SS**G310 helixtrans-62.9-6.8-179.6-62.3169.8000112.4L310 E311 S315 I316L310-I313 HydrophobicContact CD2-CD1 4.42Å; E311-I313 PolarHBondContact O-N 3.09Å; I313-S315 PolarHBondContact O-N 3.41Å; I313-I316 PolarHBondContact O-N 2.9Å
314D54.3Low55.2Low143 Ų143119.1 Ų119.177%0.76564%0.637SS**G310 helixtrans-68-19.5175.7-65.6-28.1000113.5P312P312-D314 PolarHBondContact O-N 3.05Å
315S53.1Low54.2Low100 Ų100119.2 Ų119.270%0.69963%0.631SS**G310 helixtrans-84.9-20.6177.5-65.90000114.5P312 I313P312-S315 PolarHBondContact O-N 2.98Å; I313-S315 PolarHBondContact O-N 3.41Å
316I53.9Low53.5Low110 Ų110118 Ų11856%0.56463%0.625SS**Hα-helixtrans-88.8-26.9-174.2-60.1175.5000112I313 G318 A319 L320I313-I316 PolarHBondContact O-N 2.9Å; I316-G318 PolarHBondContact O-N 3.5Å; I316-A319 PolarHBondContact O-N 3.31Å; I316-L320 HydrophobicContact CG2-CD1 4.32Å; I316-L320 PolarHBondContact O-N 3.37Å
317K51.6Low52.6Low156 Ų156121.4 Ų121.468%0.67864%0.643SS**Hα-helixtrans-67.7-22.2173.3-84.9-179.8176.1175.30113.5N321K317-N321 PolarHBondContact O-ND2 2.89Å
318G52.2Low52.1Low48 Ų48117.9 Ų117.950%0.49564%0.64SS.*Hα-helixtrans-74.6-34174.700000113.7I316I316-G318 PolarHBondContact O-N 3.5Å
319A53.5Low51.3Low56 Ų56119.7 Ų119.746%0.46366%0.655SS.*Hα-helixtrans-76.6-42-177.800000112.5I316 N321 N322 D323I316-A319 PolarHBondContact O-N 3.31Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 2.78Å; A319-N322 PolarHBondContact O-N 2.95Å; A319-D323 PolarHBondContact O-N 3.06Å
320L52.4Low50.9Low111 Ų111119 Ų11958%0.58165%0.651SS**Hα-helixtrans-72-22.3-177.7-70170.7000114.1I316 N324I316-L320 HydrophobicContact CG2-CD1 4.32Å; I316-L320 PolarHBondContact O-N 3.37Å; L320-N324 PolarHBondContact O-ND2 2.86Å
321N53.3Low50.4Low112 Ų112121.7 Ų121.760%0.59966%0.66SS**Hα-helixtrans-84.6-17.6175.7-78.6-18.7000113.4K317 A319 N325K317-N321 PolarHBondContact O-ND2 2.89Å; A319-N321 VanDerWaalsContact C-N 3.31Å; A319-N321 PolarHBondContact O-N 2.78Å; N321-N325 PolarHBondContact O-ND2 3.27Å
322N49.8Very low49.8Very low110 Ų110124.8 Ų124.859%0.58866%0.664SS**Hα-helixtrans-87.1-30.5178-114.3-1.9000112.6A319A319-N322 PolarHBondContact O-N 2.95Å
323D49.4Very low49.4Very low108 Ų108127.7 Ų127.758%0.57867%0.674SS**Hα-helixtrans-77.8-27.1-179.4-70.8-22.1000113.2A319A319-D323 PolarHBondContact O-N 3.06Å
324N47.4Very low49Very low119 Ų119134.4 Ų134.464%0.63669%0.693SS**Hα-helixtrans-79-17.3178.8-81.6-26.7000114.2L320L320-N324 PolarHBondContact O-ND2 2.86Å
325N48.3Very low48.4Very low117 Ų117130.6 Ų130.663%0.62669%0.687SS**Hα-helixtrans-91.8-14.9179.3-75.5-25.1000113.7N321N321-N325 PolarHBondContact O-ND2 3.27Å
326N48.5Very low48.2Very low122 Ų122132.1 Ų132.165%0.65269%0.692SS**Hα-helixtrans-98.2-10.9-178-76.2-26.2000114.5
327N45Very low48.1Very low145 Ų145133.7 Ų133.778%0.77570%0.7SS**SBendtrans-1061-177.6-92.1-29.6000115.3
328L46.1Very low47.8Very low150 Ų150133.6 Ų133.679%0.78571%0.707SS**SBendtrans-99.84.8-177.2-137.674.4000115.1
329N44.9Very low47.4Very low140 Ų140134.5 Ų134.575%0.74972%0.716SS**SBendtrans-115.78.9-173-75.3-26.3000116
330N46.3Very low47.2Very low147 Ų147140.1 Ų140.179%0.78674%0.738SS**SBendtrans-12519-169.2-93.4-10.1000117.6
331H43.8Very low46.8Very low186 Ų186142.1 Ų142.186%0.86175%0.749SS**  trans-145.320.3178.8-122.2-71.6000118.4
332R43.7Very low46.6Very low238 Ų238145.7 Ų145.790%0.89876%0.762SS**  trans-104.478.1168.7-77.1-177.6175.1144.9-1.4110
333D44.6Very low46.7Very low155 Ų155150.9 Ų150.983%0.82980%0.797SS**  trans-169.8139.8158.7-94.7-31.7000110.2
334R47.9Very low46.6Very low249 Ų249153 Ų15394%0.9481%0.808SS**  trans91.192.9-166.1-57.9176.1-179.51341.3112.8
335G41.8Very low46.5Very low63 Ų63154.8 Ų154.865%0.64982%0.817SS**  cis98.29815.600000112
336V47.6Very low46.4Very low133 Ų133156.9 Ų156.981%0.80683%0.828SS**  trans67.2136.5141.2-143.50000115
337I52.6Low46.3Very low143 Ų143158.9 Ų158.973%0.73384%0.838SS**  cis-170.1136.444.7-23.4-173.9000109.5
338D45.5Very low46.4Very low153 Ų153159.8 Ų159.882%0.81884%0.842SS**  trans29.6127.1145.7-58.7-26.3000124.1
339G44Very low46.4Very low67 Ų67160.5 Ų160.569%0.69185%0.846SS**  85.5112.9105.100000119.2
340L47.8Very low46.5Very low175 Ų175161.9 Ų161.992%0.91685%0.853SS**  158.6144.8113.7-83.5166.1000112.3
341N44.5Very low46.5Very low152 Ų152163.1 Ų163.181%0.81386%0.858SS**  trans-64.3154.2-177.4-62.2-36.7000114.2
342E49.7Very low46.7Very low188 Ų188161.2 Ų161.288%0.87986%0.858SS**  -166.7147.4123-115.2178.4171.200112.4
343V51.1Low47Very low218 Ų218154.2 Ų154.2100%1.32185%0.854SS**  trans88.80178.8-164.80000117.6

Retrieved 343 of 343 residues in 227.1 ms (Link to these results)

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