A0A087Y7E5_POEFO Loading...

F-box protein 36a

AlphaFold DB , UniProt , Accession A0A087Y7E5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 187 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
1M48.3Very low75.5Confident224 Ų22483.4 Ų83.4100%1.10346%0.463SS*.  026.70-67.9-179.4162.100112.9
2A50.7Low77.2Confident74 Ų7480.4 Ų80.461%0.61245%0.445SS*.  trans-95.21.3-171.100000115.1
3S63.4Low78.7Confident117 Ų11779.3 Ų79.382%0.81845%0.446SS*.SBendtrans-85.8-12.7-174.872.90000114.7
4L66.1Low79.8Confident64 Ų6474.9 Ų74.934%0.33543%0.427SS..SBendtrans-89.3-21.6-177.2-68.8172.8000113.4I97L4-I97 HydrophobicContact CD1-CG1 4.48Å; L4-I97 HydrophobicContact CD2-CG1 4.45Å
5L73.5Confident80.7Confident21 Ų2177.8 Ų77.811%0.1144%0.435CS..SBendtrans-85.5121179.4-68.6167.7000108.4L9 R30 Y91 Y93L5-L9 HydrophobicContact CB-CD2 4.01Å; L5-L9 HydrophobicContact CD2-CD2 3.82Å; L5-L9 HydrophobicContact CG-CD2 4.42Å; L5-R30 VanDerWaalsContact O-CZ 3.26Å; L5-R30 PolarHBondContact O-NE 3.41Å; L5-R30 PolarHBondContact O-NH2 2.78Å; L5-Y91 HydrophobicContact CD1-CD2 4.23Å; L5-Y91 HydrophobicContact CD1-CE2 4.4Å; L5-Y91 HydrophobicContact CD1-CG 4.37Å; L5-Y91 HydrophobicContact CD2-CD1 4.29Å; L5-Y91 HydrophobicContact CD2-CG 4.13Å; L5-Y93 HydrophobicContact CD1-CE1 4.02Å; L5-Y93 HydrophobicContact CD2-CE1 4.2Å; L5-Y93 HydrophobicContact CG-CE1 4.11Å
6G77.4Confident81.3Confident35 Ų3573.3 Ų73.336%0.36141%0.411SS..  trans-60.7173.3169.800000112K8 R30G6-K8 VanDerWaalsContact C-N 3.35Å; G6-R30 WeakPolarHBondContact O-CG 3.29Å; G6-R30 PolarHBondContact O-NE 3.35Å
7E84.9Confident81.8Confident160 Ų16073.4 Ų73.475%0.74842%0.416SS*.SBendtrans-65.7-42172.9-174.4175.8-174.200111.1T29 R30E7-T29 CarbonylContact O-C 3.54Å; E7-T29 VanDerWaalsContact O-CA 3.32Å; E7-T29 WeakPolarHBondContact O-CA 3.45Å; E7-R30 PolarHBondContact O-N 3.13Å; E7-R30 VanDerWaalsContact O-N 3.12Å
8K89.2Confident82Confident81 Ų8173.5 Ų73.535%0.35243%0.428SS..EExtended strand (participates in β ladder)trans-95.8122.6173.2-161.6176.4-50.1-148.50110.1G6 E11 E27G6-K8 VanDerWaalsContact C-N 3.35Å; K8-E11 HydrophobicContact CD-CB 3.74Å; K8-E11 HydrophobicContact CD-CG 4.26Å; K8-E11 WeakPolarHBondContact CD-OE2 3.44Å; K8-E11 WeakPolarHBondContact CE-OE2 3.33Å; K8-E11 IonicContact NZ-OE1 3.06Å; K8-E11 PolarHBondContact NZ-OE1 3.17Å; K8-E11 IonicContact NZ-OE2 2.72Å; K8-E11 PolarHBondContact NZ-OE2 2.9Å; K8-E27 HydrophobicContact CD-CG 3.81Å; K8-E27 WeakPolarHBondContact CD-OE1 3.34Å; K8-E27 WeakPolarHBondContact CE-OE1 3.26Å; K8-E27 HydrophobicContact CG-CG 3.83Å; K8-E27 WeakPolarHBondContact CG-OE1 3.41Å; K8-E27 IonicContact NZ-OE1 2.67Å; K8-E27 PolarHBondContact NZ-OE1 2.89Å; K8-E27 IonicContact NZ-OE2 3.43Å; K8-E27 PolarHBondContact NZ-OE2 3.25Å
9L90.4Very high82Confident9 Ų976.6 Ų76.65%0.04745%0.451CS..EExtended strand (participates in β ladder)trans-91.7-41.8180-59.5-174.7000111.4L5 I28 T29 R30 Y91 R96L5-L9 HydrophobicContact CB-CD2 4.01Å; L5-L9 HydrophobicContact CD2-CD2 3.82Å; L5-L9 HydrophobicContact CG-CD2 4.42Å; L9-I28 WeakPolarHBondContact CA-O 3.4Å; L9-I28 HydrophobicContact CB-CG2 4.48Å; L9-I28 WeakPolarHBondContact CB-O 3.27Å; L9-I28 PolarHBondContact N-O 3.35Å; L9-T29 WeakPolarHBondContact CD1-O 3.49Å; L9-R30 HydrophobicContact CD2-CG 4.41Å; L9-Y91 HydrophobicContact CD1-CD1 3.95Å; L9-Y91 HydrophobicContact CD1-CE1 3.42Å; L9-Y91 VanDerWaalsContact CD1-CE1 3.42Å; L9-R96 PolarHBondContact O-NH1 3.13Å; L9-R96 PolarHBondContact O-NH2 2.93Å
10F92.2Very high82.1Confident38 Ų3875.7 Ų75.717%0.16745%0.448CS..EExtended strand (participates in β ladder)trans-148.4145.6-178.9178.3-109.3000110.4I12 F26 E27 I28 I79 Y82 L86F10-I12 HydrophobicContact CE1-CB 4.05Å; F10-I12 HydrophobicContact CE1-CG2 3.54Å; F10-I12 HydrophobicContact CZ-CB 3.83Å; F10-I12 HydrophobicContact CZ-CD1 4.48Å; F10-I12 HydrophobicContact CZ-CG2 3.78Å; F10-F26 HydrophobicContact CD1-CD1 4.15Å; F10-F26 HydrophobicContact CD1-CE1 4.14Å; F10-F26 AromaticContact CE1-CD1 3.97Å; F10-F26 HydrophobicContact CE1-CD1 3.97Å; F10-F26 HydrophobicContact CE1-CE1 4.19Å; F10-E27 WeakPolarHBondContact O-CA 3.38Å; F10-I28 HydrophobicContact CB-CB 4.19Å; F10-I28 HydrophobicContact CB-CD1 4.43Å; F10-I28 HydrophobicContact CB-CG1 4.45Å; F10-I28 HydrophobicContact CD1-CD1 4.21Å; F10-I28 HydrophobicContact CD1-CG1 4.4Å; F10-I28 PolarHBondContact N-O 3.31Å; F10-I28 VanDerWaalsContact N-O 3.11Å; F10-I28 PolarHBondContact O-N 2.96Å; F10-I79 HydrophobicContact CE1-CG2 3.86Å; F10-I79 HydrophobicContact CZ-CD1 4.21Å; F10-I79 HydrophobicContact CZ-CG2 4.01Å; F10-Y82 HydrophobicContact CB-CE1 4.39Å; F10-Y82 HydrophobicContact CD2-CD1 4.1Å; F10-Y82 AromaticContact CD2-CE1 3.6Å; F10-Y82 HydrophobicContact CD2-CE1 3.6Å; F10-Y82 HydrophobicContact CE2-CD1 4.14Å; F10-Y82 HydrophobicContact CE2-CE1 4Å; F10-Y82 HydrophobicContact CG-CD1 4.36Å; F10-Y82 AromaticContact CG-CE1 3.99Å; F10-Y82 HydrophobicContact CG-CE1 3.99Å; F10-Y82 HydrophobicContact CZ-CD1 4.43Å; F10-L86 HydrophobicContact CB-CD1 3.84Å; F10-L86 HydrophobicContact CG-CD1 4.4Å
11E94.8Very high82.3Confident94 Ų9477.4 Ų77.444%0.43945%0.45SS..EExtended strand (participates in β ladder)trans-147.8134.7174.7-172.6166.1-151.200110.4K8 N25 F26K8-E11 HydrophobicContact CD-CB 3.74Å; K8-E11 HydrophobicContact CD-CG 4.26Å; K8-E11 WeakPolarHBondContact CD-OE2 3.44Å; K8-E11 WeakPolarHBondContact CE-OE2 3.33Å; K8-E11 IonicContact NZ-OE1 3.06Å; K8-E11 PolarHBondContact NZ-OE1 3.17Å; K8-E11 IonicContact NZ-OE2 2.72Å; K8-E11 PolarHBondContact NZ-OE2 2.9Å; E11-N25 PolarHBondContact OE1-ND2 3.28Å; E11-F26 CarbonylContact C-O 3.59Å; E11-F26 WeakPolarHBondContact CA-O 3.3Å
12I96.1Very high84.4Confident48 Ų4867.4 Ų67.425%0.24640%0.401CS..EExtended strand (participates in β ladder)trans-145.8140.1173.3-170.8169.1000110.2F10 N25 F26 F75 I79F10-I12 HydrophobicContact CE1-CB 4.05Å; F10-I12 HydrophobicContact CE1-CG2 3.54Å; F10-I12 HydrophobicContact CZ-CB 3.83Å; F10-I12 HydrophobicContact CZ-CD1 4.48Å; F10-I12 HydrophobicContact CZ-CG2 3.78Å; I12-N25 PolarHBondContact O-OD1 3.38Å; I12-F26 HydrophobicContact CG2-CB 3.97Å; I12-F26 HydrophobicContact CG2-CD1 4.03Å; I12-F26 PolarHBondContact N-O 3.24Å; I12-F26 PolarHBondContact O-N 2.99Å; I12-F75 HydrophobicContact CB-CD1 4.4Å; I12-F75 HydrophobicContact CB-CE1 4.38Å; I12-F75 HydrophobicContact CD1-CD1 3.91Å; I12-F75 HydrophobicContact CG1-CD1 3.89Å; I12-F75 HydrophobicContact CG1-CE1 4.08Å; I12-F75 HydrophobicContact CG2-CD1 3.7Å; I12-F75 HydrophobicContact CG2-CE1 3.74Å; I12-F75 HydrophobicContact CG2-CG 4.1Å; I12-F75 HydrophobicContact CG2-CZ 4.2Å; I12-I79 HydrophobicContact CD1-CD1 4.23Å; I12-I79 HydrophobicContact CD1-CG1 4.25Å; I12-I79 HydrophobicContact CG2-CG2 4.32Å
13S96.4Very high86.4Confident66 Ų6667.4 Ų67.446%0.46239%0.387SS..EExtended strand (participates in β ladder)trans-116.6145.2175.7-83.90000110.1Y24 N25S13-Y24 CarbonylContact C-O 3.58Å; S13-Y24 WeakPolarHBondContact CA-O 3.34Å; S13-N25 PolarHBondContact OG-OD1 3.37Å
14G93.8Very high87.9Confident17 Ų1762.9 Ų62.918%0.17535%0.352CS..EExtended strand (participates in β ladder)trans-164.3164.1-174.200000113.1F23 Y24G14-F23 WeakPolarHBondContact O-CD2 3.28Å; G14-Y24 PolarHBondContact N-O 2.87Å; G14-Y24 PolarHBondContact O-N 2.79Å
15Q93.6Very high89.4Confident119 Ų11960.5 Ų60.556%0.55634%0.34SS*.EExtended strand (participates in β ladder)trans-101.8131173.1-17516746.100109.1K21Q15-K21 HydrophobicContact CG-CB 4.15Å; Q15-K21 WeakPolarHBondContact CG-O 3.48Å; Q15-K21 PolarHBondContact NE2-O 3.27Å
16G90.6Very high90.5Very high5 Ų559.5 Ų59.55%0.05234%0.335CS..PPolyproline II helixtrans-66.8164.5176.600000112.7D22G16-D22 PolarHBondContact N-O 3.06Å
17P89.7Confident91.3Very high75 Ų7559.4 Ų59.449%0.48733%0.325SS..PPolyproline II helixtrans-63.7161.4-179.826.5-34.1000112.4K21P17-K21 PolarHBondContact O-N 3.09Å
18A84.6Confident91.8Very high76 Ų7651.8 Ų51.863%0.62829%0.289SS*.THydrogen-bonded Turntrans-59.3146.3169.200000110.2
19P82.5Confident91.9Very high133 Ų13349 Ų4986%0.86428%0.279SS*.THydrogen-bonded Turncis-94.6-16.111.834.9-35.1000115.2
20S83.1Confident91.8Very high57 Ų5754.1 Ų54.140%0.39930%0.298SS..THydrogen-bonded Turntrans-66.6-44.1-173.865.70000112.2D22S20-D22 PolarHBondContact O-N 3.38Å; S20-D22 VanDerWaalsContact O-N 3.13Å
21K87.1Confident91.7Very high112 Ų11257.9 Ų57.949%0.48732%0.32SS..  trans5230.4-174.9-66.2-166.9178.4-172.40112.7Q15 P17Q15-K21 HydrophobicContact CG-CB 4.15Å; Q15-K21 WeakPolarHBondContact CG-O 3.48Å; Q15-K21 PolarHBondContact NE2-O 3.27Å; P17-K21 PolarHBondContact O-N 3.09Å
22D92.2Very high91.6Very high14 Ų1456.7 Ų56.78%0.07531%0.314CS..  trans-61.7150.8175.1-82.11.2000110.1G16 S20 Y24 R37 W38 T39 I40G16-D22 PolarHBondContact N-O 3.06Å; S20-D22 PolarHBondContact O-N 3.38Å; S20-D22 VanDerWaalsContact O-N 3.13Å; D22-Y24 HydrophobicContact CB-CE2 3.79Å; D22-Y24 WeakPolarHBondContact O-CD2 3.39Å; D22-R37 HydrophobicContact CB-CG 4.23Å; D22-R37 IonicContact OD2-NE 2.83Å; D22-W38 WeakPolarHBondContact CB-O 3.38Å; D22-T39 VanDerWaalsContact OD1-CA 3.3Å; D22-T39 WeakPolarHBondContact OD1-CA 3.33Å; D22-T39 PolarHBondContact OD2-OG1 2.86Å; D22-T39 VanDerWaalsContact OD2-OG1 3.13Å; D22-I40 PolarHBondContact OD1-N 2.85Å
23F93.4Very high91.6Very high75 Ų7554.5 Ų54.533%0.32930%0.303SS..EExtended strand (participates in β ladder)trans-93.1136.9178.3-179.7-98.4000110.1G14 R37 W38 I40G14-F23 WeakPolarHBondContact O-CD2 3.28Å; F23-R37 CarbonylContact O-C 3.59Å; F23-R37 WeakPolarHBondContact O-CA 3.49Å; F23-W38 HydrophobicContact CB-CB 4.29Å; F23-W38 HydrophobicContact CD1-CD2 4.11Å; F23-W38 AromaticContact CD1-CE3 3.55Å; F23-W38 HydrophobicContact CD1-CE3 3.55Å; F23-W38 HydrophobicContact CD1-CZ3 4.03Å; F23-W38 HydrophobicContact CE1-CE3 4.08Å; F23-W38 HydrophobicContact CE1-CZ3 4.09Å; F23-W38 PolarHBondContact N-O 3.1Å; F23-W38 PolarHBondContact O-N 3.12Å; F23-I40 HydrophobicContact CB-CD1 4.16Å; F23-I40 HydrophobicContact CB-CG1 4.23Å
24Y95.1Very high91.5Very high21 Ų2151.9 Ų51.98%0.08228%0.284CS..EExtended strand (participates in β ladder)trans-124.8138.3-178.4-67.6-100.9000110.2S13 G14 D22 L35 N36 R37 V74S13-Y24 CarbonylContact C-O 3.58Å; S13-Y24 WeakPolarHBondContact CA-O 3.34Å; G14-Y24 PolarHBondContact N-O 2.87Å; G14-Y24 PolarHBondContact O-N 2.79Å; D22-Y24 HydrophobicContact CB-CE2 3.79Å; D22-Y24 WeakPolarHBondContact O-CD2 3.39Å; Y24-L35 HydrophobicContact CD1-CD1 4.06Å; Y24-L35 HydrophobicContact CD1-CD2 4.4Å; Y24-L35 HydrophobicContact CD1-CG 4.33Å; Y24-N36 CarbonylContact C-O 3.56Å; Y24-N36 VanDerWaalsContact CA-O 3.27Å; Y24-N36 WeakPolarHBondContact CA-O 3.3Å; Y24-R37 HydrophobicContact CD1-CB 4.02Å; Y24-R37 HydrophobicContact CD1-CG 3.97Å; Y24-R37 HydrophobicContact CE1-CB 3.91Å; Y24-R37 HydrophobicContact CE1-CG 3.55Å; Y24-R37 HydrophobicContact CE2-CG 4.21Å; Y24-R37 HydrophobicContact CG-CG 4.49Å; Y24-R37 WeakPolarHBondContact OH-CD 3.18Å; Y24-V74 HydrophobicContact CD1-CG2 4.32Å; Y24-V74 HydrophobicContact CD2-CG1 3.94Å; Y24-V74 HydrophobicContact CD2-CG2 3.93Å; Y24-V74 HydrophobicContact CE1-CG2 4.29Å; Y24-V74 HydrophobicContact CE2-CG2 3.93Å; Y24-V74 HydrophobicContact CG-CG1 4.01Å; Y24-V74 HydrophobicContact CG-CG2 4.14Å
25N96.6Very high91.6Very high15 Ų1551.5 Ų51.58%0.0828%0.277CS..EExtended strand (participates in β ladder)trans-120.3122.7163.6-170.653.2000108.5E11 I12 S13 N36 W38E11-N25 PolarHBondContact OE1-ND2 3.28Å; I12-N25 PolarHBondContact O-OD1 3.38Å; S13-N25 PolarHBondContact OG-OD1 3.37Å; N25-N36 HydrophobicContact CB-CB 4.26Å; N25-N36 PolarHBondContact N-O 3.3Å; N25-N36 PolarHBondContact O-N 3.48Å; N25-W38 HydrophobicContact CB-CH2 3.98Å; N25-W38 HydrophobicContact CB-CZ3 3.63Å
26F96.4Very high91.7Very high0 Ų046.4 Ų46.40%025%0.254CS..EExtended strand (participates in β ladder)trans-111.8126.9178.2178.9-110.1000109.5F10 E11 I12 I28 V33 L35 F61 V71 F75 S83F10-F26 HydrophobicContact CD1-CD1 4.15Å; F10-F26 HydrophobicContact CD1-CE1 4.14Å; F10-F26 AromaticContact CE1-CD1 3.97Å; F10-F26 HydrophobicContact CE1-CD1 3.97Å; F10-F26 HydrophobicContact CE1-CE1 4.19Å; E11-F26 CarbonylContact C-O 3.59Å; E11-F26 WeakPolarHBondContact CA-O 3.3Å; I12-F26 HydrophobicContact CG2-CB 3.97Å; I12-F26 HydrophobicContact CG2-CD1 4.03Å; I12-F26 PolarHBondContact N-O 3.24Å; I12-F26 PolarHBondContact O-N 2.99Å; F26-I28 HydrophobicContact CE1-CD1 3.75Å; F26-I28 HydrophobicContact CE1-CG1 3.75Å; F26-I28 HydrophobicContact CZ-CD1 3.9Å; F26-I28 HydrophobicContact CZ-CG1 3.79Å; F26-V33 HydrophobicContact CD2-CG1 4.31Å; F26-V33 HydrophobicContact CE2-CG1 3.26Å; F26-V33 HydrophobicContact CZ-CG1 3.64Å; F26-L35 HydrophobicContact CB-CD1 3.91Å; F26-L35 HydrophobicContact CD2-CB 4.33Å; F26-L35 HydrophobicContact CD2-CD1 3.9Å; F26-L35 HydrophobicContact CG-CD1 4.37Å; F26-F61 HydrophobicContact CZ-CZ 4.36Å; F26-V71 HydrophobicContact CD2-CG2 3.82Å; F26-V71 HydrophobicContact CE1-CG1 4.36Å; F26-V71 HydrophobicContact CE2-CG2 3.62Å; F26-V71 HydrophobicContact CG-CG2 4.43Å; F26-V71 HydrophobicContact CZ-CG1 4.36Å; F26-V71 HydrophobicContact CZ-CG2 4.15Å; F26-F75 HydrophobicContact CB-CD2 4.25Å; F26-F75 HydrophobicContact CB-CE2 3.5Å; F26-F75 VanDerWaalsContact CB-CE2 3.5Å; F26-F75 HydrophobicContact CB-CZ 3.69Å; F26-F75 HydrophobicContact CG-CE2 4.29Å; F26-S83 VanDerWaalsContact CE1-OG 3.24Å; F26-S83 WeakPolarHBondContact CE1-OG 3.44Å
27E95.8Very high91.8Very high32 Ų3249.8 Ų49.815%0.1527%0.266CS..EExtended strand (participates in β ladder)trans-134.4134.5-174.2175.8171.1168.300110.2K8 F10 T29 I34K8-E27 HydrophobicContact CD-CG 3.81Å; K8-E27 WeakPolarHBondContact CD-OE1 3.34Å; K8-E27 WeakPolarHBondContact CE-OE1 3.26Å; K8-E27 HydrophobicContact CG-CG 3.83Å; K8-E27 WeakPolarHBondContact CG-OE1 3.41Å; K8-E27 IonicContact NZ-OE1 2.67Å; K8-E27 PolarHBondContact NZ-OE1 2.89Å; K8-E27 IonicContact NZ-OE2 3.43Å; K8-E27 PolarHBondContact NZ-OE2 3.25Å; F10-E27 WeakPolarHBondContact O-CA 3.38Å; E27-T29 HydrophobicContact CG-CG2 4.2Å; E27-I34 HydrophobicContact CB-CB 4.4Å; E27-I34 PolarHBondContact N-O 3.16Å; E27-I34 PolarHBondContact O-N 2.86Å
28I94.1Very high91.9Very high0 Ų050.3 Ų50.30%026%0.258CS..EExtended strand (participates in β ladder)trans-115.3116.1171.2-55.1178.9000107L9 F10 F26 V33 F58 L86L9-I28 WeakPolarHBondContact CA-O 3.4Å; L9-I28 HydrophobicContact CB-CG2 4.48Å; L9-I28 WeakPolarHBondContact CB-O 3.27Å; L9-I28 PolarHBondContact N-O 3.35Å; F10-I28 HydrophobicContact CB-CB 4.19Å; F10-I28 HydrophobicContact CB-CD1 4.43Å; F10-I28 HydrophobicContact CB-CG1 4.45Å; F10-I28 HydrophobicContact CD1-CD1 4.21Å; F10-I28 HydrophobicContact CD1-CG1 4.4Å; F10-I28 PolarHBondContact N-O 3.31Å; F10-I28 VanDerWaalsContact N-O 3.11Å; F10-I28 PolarHBondContact O-N 2.96Å; F26-I28 HydrophobicContact CE1-CD1 3.75Å; F26-I28 HydrophobicContact CE1-CG1 3.75Å; F26-I28 HydrophobicContact CZ-CD1 3.9Å; F26-I28 HydrophobicContact CZ-CG1 3.79Å; I28-V33 HydrophobicContact CG1-CG2 4.35Å; I28-V33 HydrophobicContact CG2-CG2 4.42Å; I28-F58 HydrophobicContact CG2-CE1 3.91Å; I28-F58 HydrophobicContact CG2-CZ 4.11Å; I28-L86 HydrophobicContact CD1-CB 4.48Å; I28-L86 HydrophobicContact CD1-CD1 3.93Å
29T92.7Very high92.1Very high22 Ų2249.3 Ų49.314%0.13524%0.244CC..EExtended strand (participates in β ladder)trans-91.7-173.4172.567.70000109.7E7 L9 E27 N31 E32 I34 F58E7-T29 CarbonylContact O-C 3.54Å; E7-T29 VanDerWaalsContact O-CA 3.32Å; E7-T29 WeakPolarHBondContact O-CA 3.45Å; L9-T29 WeakPolarHBondContact CD1-O 3.49Å; E27-T29 HydrophobicContact CG-CG2 4.2Å; T29-N31 PolarHBondContact O-N 3.35Å; T29-N31 PolarHBondContact OG1-N 3.04Å; T29-E32 PolarHBondContact N-O 2.98Å; T29-E32 WeakPolarHBondContact OG1-CA 3.47Å; T29-E32 PolarHBondContact OG1-N 3.14Å; T29-E32 PolarHBondContact OG1-O 3.36Å; T29-I34 HydrophobicContact CG2-CD1 4.21Å; T29-F58 VanDerWaalsContact O-CZ 3.27Å; T29-F58 WeakPolarHBondContact O-CZ 3.43Å
30R87.9Confident92.3Very high117 Ų11747.7 Ų47.744%0.44223%0.227SC..SBendtrans-63.2-26.2175.9-68.1-171.8-167.8161.23.4114.8L5 G6 E7 L9 F58L5-R30 VanDerWaalsContact O-CZ 3.26Å; L5-R30 PolarHBondContact O-NE 3.41Å; L5-R30 PolarHBondContact O-NH2 2.78Å; G6-R30 WeakPolarHBondContact O-CG 3.29Å; G6-R30 PolarHBondContact O-NE 3.35Å; E7-R30 PolarHBondContact O-N 3.13Å; E7-R30 VanDerWaalsContact O-N 3.12Å; L9-R30 HydrophobicContact CD2-CG 4.41Å; R30-F58 VanDerWaalsContact O-CE2 3.27Å; R30-F58 WeakPolarHBondContact O-CE2 3.27Å; R30-F58 VanDerWaalsContact O-CZ 3.26Å; R30-F58 WeakPolarHBondContact O-CZ 3.42Å
31N88.5Confident92.3Very high118 Ų11847.1 Ų47.163%0.63122%0.223SC*.SBendtrans-130.1-21.6-168.8-64.744.4000113T29T29-N31 PolarHBondContact O-N 3.35Å; T29-N31 PolarHBondContact OG1-N 3.04Å
32E93.9Very high92Very high69 Ų6951.2 Ų51.232%0.32225%0.246SC..EExtended strand (participates in β ladder)trans-131.2145.9-171.4-55.7-172.4152.100111.3T29 I34 R55 S56T29-E32 PolarHBondContact N-O 2.98Å; T29-E32 WeakPolarHBondContact OG1-CA 3.47Å; T29-E32 PolarHBondContact OG1-N 3.14Å; T29-E32 PolarHBondContact OG1-O 3.36Å; E32-I34 HydrophobicContact CB-CG1 4.39Å; E32-R55 IonicContact OE2-NH1 3.16Å; E32-R55 PolarHBondContact OE2-NH1 3.43Å; E32-R55 VanDerWaalsContact OE2-NH1 3.16Å; E32-S56 CarbonylContact C-O 3.58Å; E32-S56 WeakPolarHBondContact CA-O 3.32Å
33V95.1Very high91.4Very high1 Ų159.4 Ų59.41%0.00628%0.276CS..EExtended strand (participates in β ladder)trans-102128.8166178.70000107.7F26 I28 R55 S56 F58 F61F26-V33 HydrophobicContact CD2-CG1 4.31Å; F26-V33 HydrophobicContact CE2-CG1 3.26Å; F26-V33 HydrophobicContact CZ-CG1 3.64Å; I28-V33 HydrophobicContact CG1-CG2 4.35Å; I28-V33 HydrophobicContact CG2-CG2 4.42Å; V33-R55 CarbonylContact O-C 3.59Å; V33-R55 WeakPolarHBondContact O-CA 3.43Å; V33-S56 PolarHBondContact N-O 3.42Å; V33-S56 PolarHBondContact O-N 2.96Å; V33-F58 HydrophobicContact CG2-CD1 3.86Å; V33-F58 HydrophobicContact CG2-CE1 4.04Å; V33-F61 HydrophobicContact CB-CB 4.4Å; V33-F61 HydrophobicContact CB-CD2 4.43Å; V33-F61 HydrophobicContact CB-CG 4.32Å; V33-F61 HydrophobicContact CG1-CD2 3.95Å; V33-F61 HydrophobicContact CG1-CE2 4.17Å; V33-F61 HydrophobicContact CG1-CG 4.24Å; V33-F61 HydrophobicContact CG2-CB 4.1Å; V33-F61 HydrophobicContact CG2-CD1 4.14Å; V33-F61 HydrophobicContact CG2-CG 4Å
34I95.6Very high90.6Very high11 Ų1162 Ų626%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-125.4121.9-175.3-51.8-178.7000108.7E27 T29 E32 Q53 Q54 R55E27-I34 HydrophobicContact CB-CB 4.4Å; E27-I34 PolarHBondContact N-O 3.16Å; E27-I34 PolarHBondContact O-N 2.86Å; T29-I34 HydrophobicContact CG2-CD1 4.21Å; E32-I34 HydrophobicContact CB-CG1 4.39Å; I34-Q53 HydrophobicContact CG2-CG 3.82Å; I34-Q54 WeakPolarHBondContact CA-O 3.45Å; I34-R55 HydrophobicContact CG1-CG 4.08Å; I34-R55 HydrophobicContact CG2-CG 4.25Å
35L95.4Very high89.8Confident9 Ų969.1 Ų69.15%0.04733%0.327CS..EExtended strand (participates in β ladder)trans-112.7115.9169.7-174.666.4000109.1Y24 F26 Q54 L67 D70 F75Y24-L35 HydrophobicContact CD1-CD1 4.06Å; Y24-L35 HydrophobicContact CD1-CD2 4.4Å; Y24-L35 HydrophobicContact CD1-CG 4.33Å; F26-L35 HydrophobicContact CB-CD1 3.91Å; F26-L35 HydrophobicContact CD2-CB 4.33Å; F26-L35 HydrophobicContact CD2-CD1 3.9Å; F26-L35 HydrophobicContact CG-CD1 4.37Å; L35-Q54 PolarHBondContact N-O 2.99Å; L35-Q54 PolarHBondContact O-N 3.18Å; L35-L67 HydrophobicContact CB-CD1 4.08Å; L35-L67 HydrophobicContact CD2-CD1 3.58Å; L35-L67 HydrophobicContact CG-CD1 4.49Å; L35-D70 HydrophobicContact CD2-CB 4.37Å; L35-F75 HydrophobicContact CD1-CE2 4.21Å
36N94.9Very high88.6Confident13 Ų1370 Ų707%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-102.9130.8174.7-60.1-64.9000109.3Y24 N25 W38 P51 K52 Q53Y24-N36 CarbonylContact C-O 3.56Å; Y24-N36 VanDerWaalsContact CA-O 3.27Å; Y24-N36 WeakPolarHBondContact CA-O 3.3Å; N25-N36 HydrophobicContact CB-CB 4.26Å; N25-N36 PolarHBondContact N-O 3.3Å; N25-N36 PolarHBondContact O-N 3.48Å; N36-W38 HydrophobicContact CB-CE3 4.21Å; N36-W38 HydrophobicContact CB-CH2 3.44Å; N36-W38 VanDerWaalsContact CB-CH2 3.44Å; N36-W38 HydrophobicContact CB-CZ2 4.41Å; N36-W38 HydrophobicContact CB-CZ3 3.32Å; N36-P51 HydrophobicContact CB-CB 4.41Å; N36-K52 CarbonylContact C-O 3.59Å; N36-K52 WeakPolarHBondContact CA-O 3.41Å; N36-Q53 WeakPolarHBondContact OD1-CB 3.44Å; N36-Q53 VanDerWaalsContact OD1-CG 3.29Å; N36-Q53 WeakPolarHBondContact OD1-CG 3.24Å; N36-Q53 PolarHBondContact OD1-NE2 3.5Å
37R93.1Very high87.4Confident76 Ų7677 Ų7729%0.28736%0.362SS..EExtended strand (participates in β ladder)trans-122.7126.2176.7-173.4179.577.7-165.514.6111.4D22 F23 Y24 P51 K52D22-R37 HydrophobicContact CB-CG 4.23Å; D22-R37 IonicContact OD2-NE 2.83Å; F23-R37 CarbonylContact O-C 3.59Å; F23-R37 WeakPolarHBondContact O-CA 3.49Å; Y24-R37 HydrophobicContact CD1-CB 4.02Å; Y24-R37 HydrophobicContact CD1-CG 3.97Å; Y24-R37 HydrophobicContact CE1-CB 3.91Å; Y24-R37 HydrophobicContact CE1-CG 3.55Å; Y24-R37 HydrophobicContact CE2-CG 4.21Å; Y24-R37 HydrophobicContact CG-CG 4.49Å; Y24-R37 WeakPolarHBondContact OH-CD 3.18Å; R37-P51 CarbonylContact O-C 3.58Å; R37-P51 VanDerWaalsContact O-CA 3.31Å; R37-P51 WeakPolarHBondContact O-CA 3.36Å; R37-K52 PolarHBondContact N-O 3.24Å; R37-K52 PolarHBondContact O-N 2.94Å
38W92.3Very high86.6Confident85 Ų8584.4 Ų84.432%0.32239%0.394SS..EExtended strand (participates in β ladder)trans-105.3119.6170.3-68.5-102.1000109.4D22 F23 N25 N36 I40 P51D22-W38 WeakPolarHBondContact CB-O 3.38Å; F23-W38 HydrophobicContact CB-CB 4.29Å; F23-W38 HydrophobicContact CD1-CD2 4.11Å; F23-W38 AromaticContact CD1-CE3 3.55Å; F23-W38 HydrophobicContact CD1-CE3 3.55Å; F23-W38 HydrophobicContact CD1-CZ3 4.03Å; F23-W38 HydrophobicContact CE1-CE3 4.08Å; F23-W38 HydrophobicContact CE1-CZ3 4.09Å; F23-W38 PolarHBondContact N-O 3.1Å; F23-W38 PolarHBondContact O-N 3.12Å; N25-W38 HydrophobicContact CB-CH2 3.98Å; N25-W38 HydrophobicContact CB-CZ3 3.63Å; N36-W38 HydrophobicContact CB-CE3 4.21Å; N36-W38 HydrophobicContact CB-CH2 3.44Å; N36-W38 VanDerWaalsContact CB-CH2 3.44Å; N36-W38 HydrophobicContact CB-CZ2 4.41Å; N36-W38 HydrophobicContact CB-CZ3 3.32Å; W38-I40 PolarHBondContact O-N 2.98Å; W38-P51 HydrophobicContact CD2-CB 3.72Å; W38-P51 HydrophobicContact CD2-CG 4.44Å; W38-P51 VanDerWaalsContact CE2-CB 3.44Å; W38-P51 HydrophobicContact CE3-CB 4.22Å; W38-P51 HydrophobicContact CG-CB 4.13Å; W38-P51 HydrophobicContact CH2-CB 4.26Å; W38-P51 HydrophobicContact CH2-CG 4.44Å; W38-P51 HydrophobicContact CZ2-CB 3.74Å; W38-P51 HydrophobicContact CZ2-CG 3.65Å; W38-P51 HydrophobicContact CZ3-CB 4.47Å
39T89.4Confident86Confident55 Ų5591 Ų9134%0.33742%0.419SS..  trans-76117.5175.8-65.40000110.1D22D22-T39 VanDerWaalsContact OD1-CA 3.3Å; D22-T39 WeakPolarHBondContact OD1-CA 3.33Å; D22-T39 PolarHBondContact OD2-OG1 2.86Å; D22-T39 VanDerWaalsContact OD2-OG1 3.13Å
40I86.6Confident85.7Confident99 Ų9994.7 Ų94.751%0.50844%0.443SS..  trans-92.1110.3-178.5-56.3-58.7000108D22 F23 W38D22-I40 PolarHBondContact OD1-N 2.85Å; F23-I40 HydrophobicContact CB-CD1 4.16Å; F23-I40 HydrophobicContact CB-CG1 4.23Å; W38-I40 PolarHBondContact O-N 2.98Å
41S82.1Confident85.8Confident45 Ų4591.4 Ų91.432%0.31544%0.437SS..  trans-144.2147.7178.479.90000111.8R43 N46S41-R43 PolarHBondContact O-N 2.86Å; S41-N46 VanDerWaalsContact OG-CB 3.24Å; S41-N46 WeakPolarHBondContact OG-CB 3.34Å; S41-N46 PolarHBondContact OG-ND2 3.38Å
42M80.1Confident86Confident199 Ų19991.2 Ų91.298%0.9843%0.431SS*.SBendtrans-70.6-9.8175.1-66.3-73.4-76.500113.2
43R81.2Confident86Confident185 Ų18592.6 Ų92.670%0.69844%0.437SS*.  trans-75128.4-176.6-62.2-175.4-175.7177.92110.2S41 E45 N46S41-R43 PolarHBondContact O-N 2.86Å; R43-E45 PolarHBondContact O-N 2.84Å; R43-N46 PolarHBondContact O-N 2.86Å; R43-N46 VanDerWaalsContact O-N 3.1Å
44L76.1Confident85.9Confident131 Ų13196.3 Ų96.369%0.68645%0.454SS*.G310 helixtrans-59.5-31.8-176.6-152.880.6000112.6N46 K47L44-N46 PolarHBondContact O-N 2.87Å; L44-K47 HydrophobicContact CD1-CD 4.06Å; L44-K47 WeakPolarHBondContact O-CB 3.43Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-K47 VanDerWaalsContact O-N 3.14Å
45E78.1Confident85.8Confident170 Ų170102.3 Ų102.379%0.79448%0.476SS*.G310 helixtrans-60.5-24.1178.4-62.3173.2-164.900113.9R43R43-E45 PolarHBondContact O-N 2.84Å
46N71.6Confident85.6Confident32 Ų32102.5 Ų102.517%0.17148%0.478CS..G310 helixtrans-98.4-5.2-179.5-77.9-18.4000113.3S41 R43 L44 F48 R49S41-N46 VanDerWaalsContact OG-CB 3.24Å; S41-N46 WeakPolarHBondContact OG-CB 3.34Å; S41-N46 PolarHBondContact OG-ND2 3.38Å; R43-N46 PolarHBondContact O-N 2.86Å; R43-N46 VanDerWaalsContact O-N 3.1Å; L44-N46 PolarHBondContact O-N 2.87Å; N46-F48 PolarHBondContact O-N 3.07Å; N46-F48 VanDerWaalsContact O-N 3.15Å; N46-R49 PolarHBondContact O-N 3.17Å; N46-R49 PolarHBondContact OD1-NE 2.78Å; N46-R49 VanDerWaalsContact OD1-NE 3.09Å; N46-R49 PolarHBondContact OD1-NH2 3.47Å
47K71.7Confident85.6Confident148 Ų148105 Ų10564%0.64349%0.494SS*.THydrogen-bonded Turntrans-65.2-21.5-170.9-137.7178.4-170.1-177.70113.9L44L44-K47 HydrophobicContact CD1-CD 4.06Å; L44-K47 WeakPolarHBondContact O-CB 3.43Å; L44-K47 PolarHBondContact O-N 3.39Å; L44-K47 VanDerWaalsContact O-N 3.14Å
48F77.4Confident85.6Confident188 Ų188102.7 Ų102.783%0.82549%0.486SS*.THydrogen-bonded Turntrans-123.315.1179.7-54.9-70.9000112.9N46N46-F48 PolarHBondContact O-N 3.07Å; N46-F48 VanDerWaalsContact O-N 3.15Å
49R82.9Confident85.5Confident139 Ų139102.7 Ų102.753%0.52550%0.499SS..PPolyproline II helixtrans-72129.6179-169.3-171.4-68.4-128.51.8108.8N46N46-R49 PolarHBondContact O-N 3.17Å; N46-R49 PolarHBondContact OD1-NE 2.78Å; N46-R49 VanDerWaalsContact OD1-NE 3.09Å; N46-R49 PolarHBondContact OD1-NH2 3.47Å
50P86Confident85.6Confident99 Ų99104.5 Ų104.564%0.64351%0.507SS*.PPolyproline II helixtrans-63.3156.2173.527.6-34.8000110.8
51P90.8Very high85.9Confident48 Ų4899.8 Ų99.831%0.31248%0.482SS..PPolyproline II helixtrans-58.2146.1173.922.3-30.6000111.2N36 R37 W38 Q53N36-P51 HydrophobicContact CB-CB 4.41Å; R37-P51 CarbonylContact O-C 3.58Å; R37-P51 VanDerWaalsContact O-CA 3.31Å; R37-P51 WeakPolarHBondContact O-CA 3.36Å; W38-P51 HydrophobicContact CD2-CB 3.72Å; W38-P51 HydrophobicContact CD2-CG 4.44Å; W38-P51 VanDerWaalsContact CE2-CB 3.44Å; W38-P51 HydrophobicContact CE3-CB 4.22Å; W38-P51 HydrophobicContact CG-CB 4.13Å; W38-P51 HydrophobicContact CH2-CB 4.26Å; W38-P51 HydrophobicContact CH2-CG 4.44Å; W38-P51 HydrophobicContact CZ2-CB 3.74Å; W38-P51 HydrophobicContact CZ2-CG 3.65Å; W38-P51 HydrophobicContact CZ3-CB 4.47Å; P51-Q53 PolarHBondContact O-N 3.35Å
52K92Very high86.3Confident114 Ų114100.6 Ų100.650%0.49648%0.483SS..EExtended strand (participates in β ladder)trans-75.9117.9162.9-68.2-173.3178.8-172.60107.5N36 R37N36-K52 CarbonylContact C-O 3.59Å; N36-K52 WeakPolarHBondContact CA-O 3.41Å; R37-K52 PolarHBondContact N-O 3.24Å; R37-K52 PolarHBondContact O-N 2.94Å
53Q93.8Very high86.9Confident97 Ų9797.8 Ų97.845%0.45347%0.471SS..EExtended strand (participates in β ladder)trans-105.3124.4178.4-179.6168.490.100109.3I34 N36 P51 R55I34-Q53 HydrophobicContact CG2-CG 3.82Å; N36-Q53 WeakPolarHBondContact OD1-CB 3.44Å; N36-Q53 VanDerWaalsContact OD1-CG 3.29Å; N36-Q53 WeakPolarHBondContact OD1-CG 3.24Å; N36-Q53 PolarHBondContact OD1-NE2 3.5Å; P51-Q53 PolarHBondContact O-N 3.35Å; Q53-R55 HydrophobicContact CG-CG 3.97Å
54Q92.6Very high87.4Confident79 Ų7991.3 Ų91.337%0.36945%0.45SS..EExtended strand (participates in β ladder)trans-109.7120.9169-178.3166.2-14.900107.9I34 L35 L67I34-Q54 WeakPolarHBondContact CA-O 3.45Å; L35-Q54 PolarHBondContact N-O 2.99Å; L35-Q54 PolarHBondContact O-N 3.18Å; Q54-L67 HydrophobicContact CG-CD1 4.44Å; Q54-L67 HydrophobicContact CG-CD2 4.41Å
55R93.9Very high88.2Confident137 Ų13792.6 Ų92.652%0.51745%0.451SS..EExtended strand (participates in β ladder)trans-113.4136.4175.1-60.5-164.8-173.6-159.11.7109.7E32 V33 I34 Q53E32-R55 IonicContact OE2-NH1 3.16Å; E32-R55 PolarHBondContact OE2-NH1 3.43Å; E32-R55 VanDerWaalsContact OE2-NH1 3.16Å; V33-R55 CarbonylContact O-C 3.59Å; V33-R55 WeakPolarHBondContact O-CA 3.43Å; I34-R55 HydrophobicContact CG1-CG 4.08Å; I34-R55 HydrophobicContact CG2-CG 4.25Å; Q53-R55 HydrophobicContact CG-CG 3.97Å
56S91.9Very high88.8Confident14 Ų1491.3 Ų91.310%0.09845%0.445CS..EExtended strand (participates in β ladder)trans-136144.4177.3-65.30000109.7E32 V33 L67E32-S56 CarbonylContact C-O 3.58Å; E32-S56 WeakPolarHBondContact CA-O 3.32Å; V33-S56 PolarHBondContact N-O 3.42Å; V33-S56 PolarHBondContact O-N 2.96Å; S56-L67 WeakPolarHBondContact OG-CD2 3.39Å
57T94Very high89.7Confident64 Ų6489.9 Ų89.939%0.39344%0.437SS..EExtended strand (participates in β ladder)trans-69.9162.5163.9600000109.5S59 N60 F61T57-S59 VanDerWaalsContact C-N 3.33Å; T57-S59 PolarHBondContact O-N 3.46Å; T57-N60 PolarHBondContact O-N 3.08Å; T57-N60 WeakPolarHBondContact OG1-CB 2.97Å; T57-N60 VanDerWaalsContact OG1-CG 3.24Å; T57-N60 PolarHBondContact OG1-N 3.47Å; T57-N60 PolarHBondContact OG1-ND2 2.98Å; T57-F61 PolarHBondContact O-N 3.29Å
58F92.3Very high90.7Very high29 Ų2984.2 Ų84.213%0.12741%0.412CS..Hα-helixtrans-57.5-45.5178.6-66.3-6.3000112.4I28 T29 R30 V33 N60 F61 L62 C87I28-F58 HydrophobicContact CG2-CE1 3.91Å; I28-F58 HydrophobicContact CG2-CZ 4.11Å; T29-F58 VanDerWaalsContact O-CZ 3.27Å; T29-F58 WeakPolarHBondContact O-CZ 3.43Å; R30-F58 VanDerWaalsContact O-CE2 3.27Å; R30-F58 WeakPolarHBondContact O-CE2 3.27Å; R30-F58 VanDerWaalsContact O-CZ 3.26Å; R30-F58 WeakPolarHBondContact O-CZ 3.42Å; V33-F58 HydrophobicContact CG2-CD1 3.86Å; V33-F58 HydrophobicContact CG2-CE1 4.04Å; F58-N60 VanDerWaalsContact C-N 3.3Å; F58-N60 PolarHBondContact O-N 3.28Å; F58-F61 PolarHBondContact O-N 2.84Å; F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.41Å; F58-L62 PolarHBondContact O-N 3.49Å; F58-C87 HydrophobicContact CB-CB 4.08Å; F58-C87 HydrophobicContact CD1-CB 4.46Å; F58-C87 HydrophobicContact CG-CB 4.14Å
59S91.1Very high91.5Very high84 Ų8479.8 Ų79.859%0.58740%0.397SS*.Hα-helixtrans-60.8-38.8178.2-52.20000112.5T57 L63T57-S59 VanDerWaalsContact C-N 3.33Å; T57-S59 PolarHBondContact O-N 3.46Å; S59-L63 WeakPolarHBondContact O-CG 3.31Å
60N92.4Very high91.9Very high93 Ų9375.4 Ų75.450%0.49738%0.384SS..Hα-helixtrans-71.7-41.2177.7-70.5-9.8000111.3T57 F58 L62 L63 D64T57-N60 PolarHBondContact O-N 3.08Å; T57-N60 WeakPolarHBondContact OG1-CB 2.97Å; T57-N60 VanDerWaalsContact OG1-CG 3.24Å; T57-N60 PolarHBondContact OG1-N 3.47Å; T57-N60 PolarHBondContact OG1-ND2 2.98Å; F58-N60 VanDerWaalsContact C-N 3.3Å; F58-N60 PolarHBondContact O-N 3.28Å; N60-L62 VanDerWaalsContact C-N 3.29Å; N60-L62 PolarHBondContact O-N 3.47Å; N60-L63 PolarHBondContact O-N 2.87Å; N60-L63 VanDerWaalsContact O-N 3.09Å; N60-D64 WeakPolarHBondContact O-CB 3.48Å; N60-D64 PolarHBondContact O-N 3.32Å
61F91.7Very high92.2Very high0 Ų070.7 Ų70.70%035%0.354CS..Hα-helixtrans-60.2-39176.5177.9-108.7000112F26 V33 T57 F58 L63 D64 L67 Q68 V71 L80 L84 C87F26-F61 HydrophobicContact CZ-CZ 4.36Å; V33-F61 HydrophobicContact CB-CB 4.4Å; V33-F61 HydrophobicContact CB-CD2 4.43Å; V33-F61 HydrophobicContact CB-CG 4.32Å; V33-F61 HydrophobicContact CG1-CD2 3.95Å; V33-F61 HydrophobicContact CG1-CE2 4.17Å; V33-F61 HydrophobicContact CG1-CG 4.24Å; V33-F61 HydrophobicContact CG2-CB 4.1Å; V33-F61 HydrophobicContact CG2-CD1 4.14Å; V33-F61 HydrophobicContact CG2-CG 4Å; T57-F61 PolarHBondContact O-N 3.29Å; F58-F61 PolarHBondContact O-N 2.84Å; F61-L63 PolarHBondContact O-N 3.49Å; F61-D64 PolarHBondContact O-N 2.95Å; F61-L67 HydrophobicContact CD2-CD2 3.66Å; F61-L67 HydrophobicContact CD2-CG 3.91Å; F61-L67 HydrophobicContact CE2-CD2 4.2Å; F61-L67 HydrophobicContact CE2-CG 3.96Å; F61-Q68 HydrophobicContact CE2-CG 4.16Å; F61-Q68 HydrophobicContact CZ-CG 4.15Å; F61-Q68 PolarHBondContact O-NE2 2.82Å; F61-V71 HydrophobicContact CE2-CG2 4.48Å; F61-L80 HydrophobicContact CZ-CD1 4.1Å; F61-L84 HydrophobicContact CD1-CD2 4.31Å; F61-L84 HydrophobicContact CE1-CD2 3.84Å; F61-L84 HydrophobicContact CE1-CG 4.49Å; F61-C87 HydrophobicContact CD1-CB 4.36Å; F61-C87 VanDerWaalsContact CD1-SG 3.57Å
62L91.3Very high92.4Very high62 Ų6269.5 Ų69.533%0.32535%0.347SS..Hα-helixtrans-63.5-25.7176.6-69.3173.8000113.4F58 N60 Q68 L84 C87 Q88F58-L62 VanDerWaalsContact O-CG 3.3Å; F58-L62 WeakPolarHBondContact O-CG 3.41Å; F58-L62 PolarHBondContact O-N 3.49Å; N60-L62 VanDerWaalsContact C-N 3.29Å; N60-L62 PolarHBondContact O-N 3.47Å; L62-Q68 VanDerWaalsContact C-NE2 3.35Å; L62-Q68 PolarHBondContact O-NE2 3.34Å; L62-L84 HydrophobicContact CD2-CD2 3.72Å; L62-C87 HydrophobicContact CD2-CB 4.13Å; L62-C87 HydrophobicContact CG-CB 4.32Å; L62-Q88 HydrophobicContact CD1-CG 4.39Å; L62-Q88 HydrophobicContact CD2-CG 4.14Å
63L92.3Very high92.4Very high141 Ų14169.2 Ų69.274%0.73835%0.351SS*.Hα-helixtrans-96.2-25179.6-62.8173.8000113.1S59 N60 F61 K65S59-L63 WeakPolarHBondContact O-CG 3.31Å; N60-L63 PolarHBondContact O-N 2.87Å; N60-L63 VanDerWaalsContact O-N 3.09Å; F61-L63 PolarHBondContact O-N 3.49Å; L63-K65 PolarHBondContact O-N 2.82Å; L63-K65 VanDerWaalsContact O-N 3.1Å
64D92.1Very high92.4Very high48 Ų4865.8 Ų65.826%0.25734%0.336SS..  trans-81.586.8-176.1-171.3-11000111.6N60 F61 Q66 L67 Q68N60-D64 WeakPolarHBondContact O-CB 3.48Å; N60-D64 PolarHBondContact O-N 3.32Å; F61-D64 PolarHBondContact O-N 2.95Å; D64-Q66 PolarHBondContact O-N 2.69Å; D64-Q66 PolarHBondContact OD1-N 2.8Å; D64-Q66 VanDerWaalsContact OD1-N 3.14Å; D64-L67 HydrophobicContact CB-CB 4.11Å; D64-L67 VanDerWaalsContact CG-CB 3.47Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 PolarHBondContact OD1-N 2.83Å; D64-L67 WeakPolarHBondContact OD2-CB 3.16Å; D64-Q68 WeakPolarHBondContact O-CG 3.15Å; D64-Q68 PolarHBondContact O-N 2.91Å; D64-Q68 VanDerWaalsContact O-N 3.13Å
65K92.1Very high92.5Very high159 Ų15963.3 Ų63.369%0.69132%0.324SS*.Hα-helixtrans-59.5-33176.5-68-169.9177.4-173.40113.1L63 Q68 D69L63-K65 PolarHBondContact O-N 2.82Å; L63-K65 VanDerWaalsContact O-N 3.1Å; K65-Q68 PolarHBondContact O-N 2.87Å; K65-D69 WeakPolarHBondContact O-CB 3.4Å; K65-D69 PolarHBondContact O-N 3.21Å
66Q90.9Very high92.6Very high143 Ų14358.2 Ų58.267%0.66831%0.314SS*.Hα-helixtrans-68-43.5-178.2-175.3179-11.500110.8D64 Q68 D69 D70D64-Q66 PolarHBondContact O-N 2.69Å; D64-Q66 PolarHBondContact OD1-N 2.8Å; D64-Q66 VanDerWaalsContact OD1-N 3.14Å; Q66-Q68 VanDerWaalsContact C-N 3.33Å; Q66-D69 PolarHBondContact O-N 2.78Å; Q66-D70 PolarHBondContact O-N 3.11Å
67L90.4Very high92.7Very high1 Ų164.5 Ų64.51%0.00534%0.342CS..Hα-helixtrans-66.8-35.9176-176.456.4000112L35 Q54 S56 F61 D64 D70 V71L35-L67 HydrophobicContact CB-CD1 4.08Å; L35-L67 HydrophobicContact CD2-CD1 3.58Å; L35-L67 HydrophobicContact CG-CD1 4.49Å; Q54-L67 HydrophobicContact CG-CD1 4.44Å; Q54-L67 HydrophobicContact CG-CD2 4.41Å; S56-L67 WeakPolarHBondContact OG-CD2 3.39Å; F61-L67 HydrophobicContact CD2-CD2 3.66Å; F61-L67 HydrophobicContact CD2-CG 3.91Å; F61-L67 HydrophobicContact CE2-CD2 4.2Å; F61-L67 HydrophobicContact CE2-CG 3.96Å; D64-L67 HydrophobicContact CB-CB 4.11Å; D64-L67 VanDerWaalsContact CG-CB 3.47Å; D64-L67 PolarHBondContact O-N 3.2Å; D64-L67 PolarHBondContact OD1-N 2.83Å; D64-L67 WeakPolarHBondContact OD2-CB 3.16Å; L67-D70 PolarHBondContact O-N 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 2.8Å; L67-V71 VanDerWaalsContact O-N 3.08Å
68Q93.8Very high92.7Very high29 Ų2970.2 Ų70.214%0.13636%0.361CS..Hα-helixtrans-64.3-43.9173.6-68.5175.324.500111.8F61 L62 D64 K65 Q66 D70 V71 S72 L80 L84F61-Q68 HydrophobicContact CE2-CG 4.16Å; F61-Q68 HydrophobicContact CZ-CG 4.15Å; F61-Q68 PolarHBondContact O-NE2 2.82Å; L62-Q68 VanDerWaalsContact C-NE2 3.35Å; L62-Q68 PolarHBondContact O-NE2 3.34Å; D64-Q68 WeakPolarHBondContact O-CG 3.15Å; D64-Q68 PolarHBondContact O-N 2.91Å; D64-Q68 VanDerWaalsContact O-N 3.13Å; K65-Q68 PolarHBondContact O-N 2.87Å; Q66-Q68 VanDerWaalsContact C-N 3.33Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; Q68-D70 PolarHBondContact O-N 3.09Å; Q68-V71 PolarHBondContact O-N 2.86Å; Q68-S72 WeakPolarHBondContact O-CB 3.43Å; Q68-S72 PolarHBondContact O-N 2.86Å; Q68-L80 HydrophobicContact CB-CD1 3.74Å; Q68-L80 HydrophobicContact CB-CD2 4.14Å; Q68-L80 HydrophobicContact CG-CD1 3.87Å; Q68-L84 HydrophobicContact CG-CD2 4.38Å
69D92.9Very high92.8Very high95 Ų9570.6 Ų70.651%0.50836%0.364SS..Hα-helixtrans-62.1-42.7176.6-72.2-19.2000110.9K65 Q66 V71 S72 N73K65-D69 WeakPolarHBondContact O-CB 3.4Å; K65-D69 PolarHBondContact O-N 3.21Å; Q66-D69 PolarHBondContact O-N 2.78Å; D69-V71 PolarHBondContact O-N 3.13Å; D69-S72 PolarHBondContact O-N 2.85Å; D69-N73 VanDerWaalsContact O-CB 3.24Å; D69-N73 WeakPolarHBondContact O-CB 3.44Å; D69-N73 PolarHBondContact O-N 2.8Å; D69-N73 PolarHBondContact O-ND2 2.81Å
70D90.9Very high93Very high47 Ų4767.5 Ų67.525%0.25134%0.341SS..Hα-helixtrans-60.7-43.8175.7-79.9-14000111.9L35 Q66 L67 Q68 V74L35-D70 HydrophobicContact CD2-CB 4.37Å; Q66-D70 PolarHBondContact O-N 3.11Å; L67-D70 PolarHBondContact O-N 3.28Å; Q68-D70 VanDerWaalsContact C-N 3.35Å; Q68-D70 PolarHBondContact O-N 3.09Å; D70-V74 VanDerWaalsContact O-CG2 3.28Å; D70-V74 WeakPolarHBondContact O-CG2 3.16Å; D70-V74 PolarHBondContact O-N 2.9Å; D70-V74 VanDerWaalsContact O-N 3.15Å
71V93.6Very high93.1Very high0 Ų067.6 Ų67.60%034%0.342CS..Hα-helixtrans-64.7-44.6176.4171.60000111.1F26 F61 L67 Q68 D69 V74 F75F26-V71 HydrophobicContact CD2-CG2 3.82Å; F26-V71 HydrophobicContact CE1-CG1 4.36Å; F26-V71 HydrophobicContact CE2-CG2 3.62Å; F26-V71 HydrophobicContact CG-CG2 4.43Å; F26-V71 HydrophobicContact CZ-CG1 4.36Å; F26-V71 HydrophobicContact CZ-CG2 4.15Å; F61-V71 HydrophobicContact CE2-CG2 4.48Å; L67-V71 WeakPolarHBondContact O-CG2 3.3Å; L67-V71 PolarHBondContact O-N 2.8Å; L67-V71 VanDerWaalsContact O-N 3.08Å; Q68-V71 PolarHBondContact O-N 2.86Å; D69-V71 PolarHBondContact O-N 3.13Å; V71-V74 PolarHBondContact O-N 3.05Å; V71-F75 HydrophobicContact CG1-CD2 4.12Å; V71-F75 WeakPolarHBondContact O-CB 3.27Å; V71-F75 WeakPolarHBondContact O-CD2 3.47Å; V71-F75 PolarHBondContact O-N 2.97Å
72S94.9Very high93.2Very high23 Ų2370.9 Ų70.916%0.16136%0.355CS..Hα-helixtrans-63.7-42.8178.2-1720000112.1Q68 D69 V74 G76 E77Q68-S72 WeakPolarHBondContact O-CB 3.43Å; Q68-S72 PolarHBondContact O-N 2.86Å; D69-S72 PolarHBondContact O-N 2.85Å; S72-V74 VanDerWaalsContact C-N 3.3Å; S72-V74 PolarHBondContact O-N 3.47Å; S72-G76 CarbonylContact O-C 3.6Å; S72-G76 WeakPolarHBondContact O-CA 3.24Å; S72-G76 PolarHBondContact O-N 2.63Å; S72-E77 WeakPolarHBondContact OG-CG 3.29Å
73N92.6Very high93.3Very high109 Ų10967.9 Ų67.958%0.58334%0.339SS*.Hα-helixtrans-65.5-32.4179.9-74.9-37.3000112.9D69D69-N73 VanDerWaalsContact O-CB 3.24Å; D69-N73 WeakPolarHBondContact O-CB 3.44Å; D69-N73 PolarHBondContact O-N 2.8Å; D69-N73 PolarHBondContact O-ND2 2.81Å
74V93.4Very high93.4Very high24 Ų2462.6 Ų62.615%0.14531%0.311CS..Hα-helixtrans-90.8-43.7-177.9177.90000112.3Y24 D70 V71 S72Y24-V74 HydrophobicContact CD1-CG2 4.32Å; Y24-V74 HydrophobicContact CD2-CG1 3.94Å; Y24-V74 HydrophobicContact CD2-CG2 3.93Å; Y24-V74 HydrophobicContact CE1-CG2 4.29Å; Y24-V74 HydrophobicContact CE2-CG2 3.93Å; Y24-V74 HydrophobicContact CG-CG1 4.01Å; Y24-V74 HydrophobicContact CG-CG2 4.14Å; D70-V74 VanDerWaalsContact O-CG2 3.28Å; D70-V74 WeakPolarHBondContact O-CG2 3.16Å; D70-V74 PolarHBondContact O-N 2.9Å; D70-V74 VanDerWaalsContact O-N 3.15Å; V71-V74 PolarHBondContact O-N 3.05Å; S72-V74 VanDerWaalsContact C-N 3.3Å; S72-V74 PolarHBondContact O-N 3.47Å
75F94.9Very high93.4Very high28 Ų2862.5 Ų62.512%0.12332%0.315CS..Hα-helixtrans-111.1-11.2-170.7-56.3-74.8000113.9I12 F26 L35 V71 I79I12-F75 HydrophobicContact CB-CD1 4.4Å; I12-F75 HydrophobicContact CB-CE1 4.38Å; I12-F75 HydrophobicContact CD1-CD1 3.91Å; I12-F75 HydrophobicContact CG1-CD1 3.89Å; I12-F75 HydrophobicContact CG1-CE1 4.08Å; I12-F75 HydrophobicContact CG2-CD1 3.7Å; I12-F75 HydrophobicContact CG2-CE1 3.74Å; I12-F75 HydrophobicContact CG2-CG 4.1Å; I12-F75 HydrophobicContact CG2-CZ 4.2Å; F26-F75 HydrophobicContact CB-CD2 4.25Å; F26-F75 HydrophobicContact CB-CE2 3.5Å; F26-F75 VanDerWaalsContact CB-CE2 3.5Å; F26-F75 HydrophobicContact CB-CZ 3.69Å; F26-F75 HydrophobicContact CG-CE2 4.29Å; L35-F75 HydrophobicContact CD1-CE2 4.21Å; V71-F75 HydrophobicContact CG1-CD2 4.12Å; V71-F75 WeakPolarHBondContact O-CB 3.27Å; V71-F75 WeakPolarHBondContact O-CD2 3.47Å; V71-F75 PolarHBondContact O-N 2.97Å; F75-I79 HydrophobicContact CB-CB 3.86Å; F75-I79 HydrophobicContact CB-CG1 4.05Å; F75-I79 HydrophobicContact CB-CG2 3.82Å; F75-I79 WeakPolarHBondContact O-CG1 3.36Å
76G94.3Very high93.4Very high30 Ų3055 Ų5531%0.30928%0.282SS..  trans92.6159.9-179.200000113.9S72 K78 I79 L80S72-G76 CarbonylContact O-C 3.6Å; S72-G76 WeakPolarHBondContact O-CA 3.24Å; S72-G76 PolarHBondContact O-N 2.63Å; G76-K78 VanDerWaalsContact C-N 3.29Å; G76-K78 PolarHBondContact O-N 3.12Å; G76-I79 PolarHBondContact O-N 3.24Å; G76-I79 VanDerWaalsContact O-N 3.13Å; G76-L80 PolarHBondContact O-N 3.07Å
77E94.5Very high93.3Very high146 Ų14648.7 Ų48.768%0.68225%0.253SS*.Hα-helixtrans-58-38.1-177.5-67.6-178.917000112.9S72 I79 L80 D81S72-E77 WeakPolarHBondContact OG-CG 3.29Å; E77-I79 VanDerWaalsContact C-N 3.25Å; E77-I79 PolarHBondContact O-N 3.13Å; E77-L80 WeakPolarHBondContact O-CA 3.49Å; E77-L80 WeakPolarHBondContact O-CB 3.46Å; E77-L80 PolarHBondContact O-N 2.85Å; E77-D81 PolarHBondContact O-N 3.27Å
78K94.6Very high93.4Very high183 Ų18354.1 Ų54.180%0.79628%0.279SS*.Hα-helixtrans-59.2-37.1179.1-65.4-176.1179.8-179.50112.8G76 Y82G76-K78 VanDerWaalsContact C-N 3.29Å; G76-K78 PolarHBondContact O-N 3.12Å; K78-Y82 WeakPolarHBondContact O-CB 3.28Å; K78-Y82 PolarHBondContact O-N 3.36Å; K78-Y82 VanDerWaalsContact O-N 3.12Å
79I94.4Very high93.1Very high37 Ų3754.2 Ų54.219%0.1929%0.288CS..Hα-helixtrans-75.1-37.1178.4-61.3-56.5000110F10 I12 F75 G76 E77 Y82 S83F10-I79 HydrophobicContact CE1-CG2 3.86Å; F10-I79 HydrophobicContact CZ-CD1 4.21Å; F10-I79 HydrophobicContact CZ-CG2 4.01Å; I12-I79 HydrophobicContact CD1-CD1 4.23Å; I12-I79 HydrophobicContact CD1-CG1 4.25Å; I12-I79 HydrophobicContact CG2-CG2 4.32Å; F75-I79 HydrophobicContact CB-CB 3.86Å; F75-I79 HydrophobicContact CB-CG1 4.05Å; F75-I79 HydrophobicContact CB-CG2 3.82Å; F75-I79 WeakPolarHBondContact O-CG1 3.36Å; G76-I79 PolarHBondContact O-N 3.24Å; G76-I79 VanDerWaalsContact O-N 3.13Å; E77-I79 VanDerWaalsContact C-N 3.25Å; E77-I79 PolarHBondContact O-N 3.13Å; I79-Y82 PolarHBondContact O-N 3.39Å; I79-S83 VanDerWaalsContact O-CB 3.29Å; I79-S83 WeakPolarHBondContact O-CB 3.06Å; I79-S83 PolarHBondContact O-N 3.15Å; I79-S83 PolarHBondContact O-OG 2.85Å
80L95Very high92.9Very high19 Ų1955.4 Ų55.410%0.09929%0.29CS..Hα-helixtrans-60.3-50.9172.7175.962.3000111.2F61 Q68 G76 E77 Y82 S83 L84F61-L80 HydrophobicContact CZ-CD1 4.1Å; Q68-L80 HydrophobicContact CB-CD1 3.74Å; Q68-L80 HydrophobicContact CB-CD2 4.14Å; Q68-L80 HydrophobicContact CG-CD1 3.87Å; G76-L80 PolarHBondContact O-N 3.07Å; E77-L80 WeakPolarHBondContact O-CA 3.49Å; E77-L80 WeakPolarHBondContact O-CB 3.46Å; E77-L80 PolarHBondContact O-N 2.85Å; L80-Y82 VanDerWaalsContact C-N 3.29Å; L80-Y82 PolarHBondContact O-N 3.26Å; L80-S83 WeakPolarHBondContact O-CA 3.49Å; L80-S83 WeakPolarHBondContact O-CB 3.45Å; L80-S83 PolarHBondContact O-N 2.82Å; L80-L84 HydrophobicContact CD1-CD1 4.15Å; L80-L84 HydrophobicContact CD1-CD2 4.46Å; L80-L84 HydrophobicContact CD1-CG 4.03Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 WeakPolarHBondContact O-CG 3.35Å; L80-L84 PolarHBondContact O-N 3.15Å
81D95.2Very high92.6Very high95 Ų9555.3 Ų55.351%0.50829%0.287SS..Hα-helixtrans-58.2-42.6179.4-73.2-20.4000112E77 L84 S85E77-D81 PolarHBondContact O-N 3.27Å; D81-L84 PolarHBondContact O-N 3.18Å; D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 2.76Å; D81-S85 PolarHBondContact O-OG 3.04Å
82Y93.6Very high92.1Very high69 Ų6959 Ų5927%0.27131%0.306SS..Hα-helixtrans-61.2-45.2174.4-176.1-112000111.9F10 K78 I79 L80 L84 S85 L86 D92F10-Y82 HydrophobicContact CB-CE1 4.39Å; F10-Y82 HydrophobicContact CD2-CD1 4.1Å; F10-Y82 AromaticContact CD2-CE1 3.6Å; F10-Y82 HydrophobicContact CD2-CE1 3.6Å; F10-Y82 HydrophobicContact CE2-CD1 4.14Å; F10-Y82 HydrophobicContact CE2-CE1 4Å; F10-Y82 HydrophobicContact CG-CD1 4.36Å; F10-Y82 AromaticContact CG-CE1 3.99Å; F10-Y82 HydrophobicContact CG-CE1 3.99Å; F10-Y82 HydrophobicContact CZ-CD1 4.43Å; K78-Y82 WeakPolarHBondContact O-CB 3.28Å; K78-Y82 PolarHBondContact O-N 3.36Å; K78-Y82 VanDerWaalsContact O-N 3.12Å; I79-Y82 PolarHBondContact O-N 3.39Å; L80-Y82 VanDerWaalsContact C-N 3.29Å; L80-Y82 PolarHBondContact O-N 3.26Å; Y82-L84 PolarHBondContact O-N 3.14Å; Y82-S85 WeakPolarHBondContact O-CB 3.34Å; Y82-S85 PolarHBondContact O-N 3.02Å; Y82-L86 HydrophobicContact CD1-CD1 3.82Å; Y82-L86 HydrophobicContact CD1-CG 4.47Å; Y82-L86 HydrophobicContact CE1-CD1 3.37Å; Y82-L86 HydrophobicContact CE1-CG 4.09Å; Y82-L86 HydrophobicContact CE2-CG 4.48Å; Y82-L86 WeakPolarHBondContact O-CG 3.2Å; Y82-L86 PolarHBondContact O-N 3.1Å; Y82-D92 WeakPolarHBondContact CE2-OD2 3.37Å; Y82-D92 PolarHBondContact OH-OD2 2.98Å
83S93.1Very high91.5Very high0 Ų063 Ų630%032%0.319CS..Hα-helixtrans-64.3-40.8179.5-57.80000112.5F26 I79 L80 L86 C87F26-S83 VanDerWaalsContact CE1-OG 3.24Å; F26-S83 WeakPolarHBondContact CE1-OG 3.44Å; I79-S83 VanDerWaalsContact O-CB 3.29Å; I79-S83 WeakPolarHBondContact O-CB 3.06Å; I79-S83 PolarHBondContact O-N 3.15Å; I79-S83 PolarHBondContact O-OG 2.85Å; L80-S83 WeakPolarHBondContact O-CA 3.49Å; L80-S83 WeakPolarHBondContact O-CB 3.45Å; L80-S83 PolarHBondContact O-N 2.82Å; S83-L86 PolarHBondContact O-N 3.19Å; S83-C87 PolarHBondContact O-N 3.11Å; S83-C87 PolarHBondContact O-SG 2.71Å
84L93.9Very high91Very high30 Ų3061.7 Ų61.716%0.15731%0.311CS..Hα-helixtrans-64.4-44.2175.1-69.1173.5000111F61 L62 Q68 L80 D81 Y82 L86 C87 Q88F61-L84 HydrophobicContact CD1-CD2 4.31Å; F61-L84 HydrophobicContact CE1-CD2 3.84Å; F61-L84 HydrophobicContact CE1-CG 4.49Å; L62-L84 HydrophobicContact CD2-CD2 3.72Å; Q68-L84 HydrophobicContact CG-CD2 4.38Å; L80-L84 HydrophobicContact CD1-CD1 4.15Å; L80-L84 HydrophobicContact CD1-CD2 4.46Å; L80-L84 HydrophobicContact CD1-CG 4.03Å; L80-L84 HydrophobicContact CG-CD1 4.02Å; L80-L84 HydrophobicContact CG-CG 4.34Å; L80-L84 WeakPolarHBondContact O-CG 3.35Å; L80-L84 PolarHBondContact O-N 3.15Å; D81-L84 PolarHBondContact O-N 3.18Å; Y82-L84 PolarHBondContact O-N 3.14Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.05Å; L84-C87 PolarHBondContact O-N 2.9Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.24Å; L84-Q88 PolarHBondContact O-N 3.33Å
85S92.9Very high90.3Very high46 Ų4665.4 Ų65.432%0.32233%0.33SS..Hα-helixtrans-58.6-44.7176.3-59.50000111.3D81 Y82 C87 Q88 G89 H90D81-S85 WeakPolarHBondContact O-CB 3.4Å; D81-S85 PolarHBondContact O-N 2.76Å; D81-S85 PolarHBondContact O-OG 3.04Å; Y82-S85 WeakPolarHBondContact O-CB 3.34Å; Y82-S85 PolarHBondContact O-N 3.02Å; S85-C87 PolarHBondContact O-N 3.44Å; S85-Q88 PolarHBondContact O-N 2.89Å; S85-G89 PolarHBondContact O-N 3.22Å; S85-H90 WeakPolarHBondContact O-CB 3.42Å; S85-H90 PolarHBondContact O-N 2.91Å; S85-H90 PolarHBondContact O-ND1 2.83Å
86L91.3Very high89.7Confident0 Ų067.2 Ų67.20%034%0.336CS..Hα-helixtrans-60.8-44174.6-74.7173.9000112.5F10 I28 Y82 S83 L84 Q88 G89 Y91F10-L86 HydrophobicContact CB-CD1 3.84Å; F10-L86 HydrophobicContact CG-CD1 4.4Å; I28-L86 HydrophobicContact CD1-CB 4.48Å; I28-L86 HydrophobicContact CD1-CD1 3.93Å; Y82-L86 HydrophobicContact CD1-CD1 3.82Å; Y82-L86 HydrophobicContact CD1-CG 4.47Å; Y82-L86 HydrophobicContact CE1-CD1 3.37Å; Y82-L86 HydrophobicContact CE1-CG 4.09Å; Y82-L86 HydrophobicContact CE2-CG 4.48Å; Y82-L86 WeakPolarHBondContact O-CG 3.2Å; Y82-L86 PolarHBondContact O-N 3.1Å; S83-L86 PolarHBondContact O-N 3.19Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 3.05Å; L86-Q88 VanDerWaalsContact C-N 3.25Å; L86-Q88 PolarHBondContact O-N 3.45Å; L86-G89 PolarHBondContact O-N 3.39Å; L86-Y91 HydrophobicContact CD2-CD1 3.68Å; L86-Y91 HydrophobicContact CD2-CE1 4.25Å; L86-Y91 WeakPolarHBondContact O-CE1 3.34Å
87C90.1Very high89.2Confident11 Ų1166.9 Ų66.97%0.07433%0.327CS..Hα-helixtrans-68-25179.1-67.60000113F58 F61 L62 S83 L84 S85 G89F58-C87 HydrophobicContact CB-CB 4.08Å; F58-C87 HydrophobicContact CD1-CB 4.46Å; F58-C87 HydrophobicContact CG-CB 4.14Å; F61-C87 HydrophobicContact CD1-CB 4.36Å; F61-C87 VanDerWaalsContact CD1-SG 3.57Å; L62-C87 HydrophobicContact CD2-CB 4.13Å; L62-C87 HydrophobicContact CG-CB 4.32Å; S83-C87 PolarHBondContact O-N 3.11Å; S83-C87 PolarHBondContact O-SG 2.71Å; L84-C87 PolarHBondContact O-N 2.9Å; S85-C87 PolarHBondContact O-N 3.44Å; C87-G89 VanDerWaalsContact C-N 3.26Å
88Q90.8Very high88.8Confident115 Ų11565.2 Ų65.254%0.53732%0.319SS..THydrogen-bonded Turntrans-81.1-4.7173.3-69.6170.2400113.1L62 L84 S85 L86L62-Q88 HydrophobicContact CD1-CG 4.39Å; L62-Q88 HydrophobicContact CD2-CG 4.14Å; L84-Q88 VanDerWaalsContact O-CG 3.28Å; L84-Q88 WeakPolarHBondContact O-CG 3.24Å; L84-Q88 PolarHBondContact O-N 3.33Å; S85-Q88 PolarHBondContact O-N 2.89Å; L86-Q88 VanDerWaalsContact C-N 3.25Å; L86-Q88 PolarHBondContact O-N 3.45Å
89G87.5Confident88.5Confident32 Ų3259.9 Ų59.933%0.3330%0.3SS..THydrogen-bonded Turntrans94.28.7179.500000114.8S85 L86 C87 Y91S85-G89 PolarHBondContact O-N 3.22Å; L86-G89 PolarHBondContact O-N 3.39Å; C87-G89 VanDerWaalsContact C-N 3.26Å; G89-Y91 WeakPolarHBondContact O-CD2 3.34Å; G89-Y91 WeakPolarHBondContact O-CE2 3.47Å; G89-Y91 PolarHBondContact O-N 2.71Å
90H88.7Confident88.1Confident120 Ų12062.8 Ų62.856%0.55632%0.315SS*.  trans-83.494.8172.5-54.9108.4000109.4S85S85-H90 WeakPolarHBondContact O-CB 3.42Å; S85-H90 PolarHBondContact O-N 2.91Å; S85-H90 PolarHBondContact O-ND1 2.83Å
91Y85.4Confident87.7Confident45 Ų4565.4 Ų65.418%0.17633%0.329CS..  trans-103.7140.3179.7-54.1-72.7000111.9L5 L9 L86 G89 Y93L5-Y91 HydrophobicContact CD1-CD2 4.23Å; L5-Y91 HydrophobicContact CD1-CE2 4.4Å; L5-Y91 HydrophobicContact CD1-CG 4.37Å; L5-Y91 HydrophobicContact CD2-CD1 4.29Å; L5-Y91 HydrophobicContact CD2-CG 4.13Å; L9-Y91 HydrophobicContact CD1-CD1 3.95Å; L9-Y91 HydrophobicContact CD1-CE1 3.42Å; L9-Y91 VanDerWaalsContact CD1-CE1 3.42Å; L86-Y91 HydrophobicContact CD2-CD1 3.68Å; L86-Y91 HydrophobicContact CD2-CE1 4.25Å; L86-Y91 WeakPolarHBondContact O-CE1 3.34Å; G89-Y91 WeakPolarHBondContact O-CD2 3.34Å; G89-Y91 WeakPolarHBondContact O-CE2 3.47Å; G89-Y91 PolarHBondContact O-N 2.71Å; Y91-Y93 VanDerWaalsContact C-N 3.28Å; Y91-Y93 HydrophobicContact CD2-CE2 4.3Å; Y91-Y93 AromaticContact CD2-CZ 3.84Å; Y91-Y93 VanDerWaalsContact CD2-OH 3.3Å; Y91-Y93 WeakPolarHBondContact CD2-OH 3.38Å; Y91-Y93 WeakPolarHBondContact O-CD2 3.42Å; Y91-Y93 PolarHBondContact O-N 3.34Å
92D83.5Confident87.4Confident77 Ų7760.9 Ų60.941%0.41231%0.305SS..  trans-75.978.7171.3-56.1-53.9000110.8Y82 L94 R96Y82-D92 WeakPolarHBondContact CE2-OD2 3.37Å; Y82-D92 PolarHBondContact OH-OD2 2.98Å; D92-L94 PolarHBondContact O-N 3.26Å; D92-R96 WeakPolarHBondContact O-CG 3.42Å
93Y81.9Confident87.1Confident107 Ų10757.9 Ų57.942%0.4229%0.294SS..Hα-helixtrans-65.2-30.7178.6-66.5-75.1000112.6L5 Y91 D95 R96 I97L5-Y93 HydrophobicContact CD1-CE1 4.02Å; L5-Y93 HydrophobicContact CD2-CE1 4.2Å; L5-Y93 HydrophobicContact CG-CE1 4.11Å; Y91-Y93 VanDerWaalsContact C-N 3.28Å; Y91-Y93 HydrophobicContact CD2-CE2 4.3Å; Y91-Y93 AromaticContact CD2-CZ 3.84Å; Y91-Y93 VanDerWaalsContact CD2-OH 3.3Å; Y91-Y93 WeakPolarHBondContact CD2-OH 3.38Å; Y91-Y93 WeakPolarHBondContact O-CD2 3.42Å; Y91-Y93 PolarHBondContact O-N 3.34Å; Y93-D95 VanDerWaalsContact C-N 3.33Å; Y93-D95 PolarHBondContact O-N 2.71Å; Y93-R96 PolarHBondContact O-N 2.98Å; Y93-R96 VanDerWaalsContact O-N 3.11Å; Y93-I97 PolarHBondContact O-N 3.31Å
94L82.2Confident86.7Confident81 Ų8163.8 Ų63.842%0.42432%0.319SS..Hα-helixtrans-67-35.9-175.3-163.969.7000112D92 R96 I97 L102 F124D92-L94 PolarHBondContact O-N 3.26Å; L94-R96 VanDerWaalsContact C-N 3.25Å; L94-R96 PolarHBondContact O-N 2.83Å; L94-I97 WeakPolarHBondContact O-CG2 3.06Å; L94-L102 HydrophobicContact CD1-CD1 3.57Å; L94-L102 HydrophobicContact CG-CD1 4.23Å; L94-F124 HydrophobicContact CD2-CE1 4.11Å; L94-F124 HydrophobicContact CD2-CE2 4.32Å; L94-F124 HydrophobicContact CD2-CZ 3.49Å; L94-F124 VanDerWaalsContact CD2-CZ 3.49Å; L94-F124 HydrophobicContact CG-CE1 4.24Å; L94-F124 HydrophobicContact CG-CZ 3.74Å
95D79.1Confident86.4Confident102 Ų10266.1 Ų66.155%0.54533%0.331SS..Hα-helixtrans-79.4-9.9176.4-159.134.2000112.7Y93 R123Y93-D95 VanDerWaalsContact C-N 3.33Å; Y93-D95 PolarHBondContact O-N 2.71Å; D95-R123 VanDerWaalsContact C-NH1 3.29Å; D95-R123 PolarHBondContact O-NH1 3.37Å; D95-R123 IonicContact OD1-NH1 2.76Å; D95-R123 PolarHBondContact OD1-NH1 3.35Å
96R80.9Confident86Confident67 Ų6764 Ų6425%0.25332%0.316SS..Hα-helixtrans-105.2-13.2-178.2-62.3176.3-167.9-89.8-0.8114.1L9 D92 Y93 L94L9-R96 PolarHBondContact O-NH1 3.13Å; L9-R96 PolarHBondContact O-NH2 2.93Å; D92-R96 WeakPolarHBondContact O-CG 3.42Å; Y93-R96 PolarHBondContact O-N 2.98Å; Y93-R96 VanDerWaalsContact O-N 3.11Å; L94-R96 VanDerWaalsContact C-N 3.25Å; L94-R96 PolarHBondContact O-N 2.83Å
97I85.6Confident85.6Confident23 Ų2364.2 Ų64.212%0.11832%0.318CS..SBendtrans-69.7150.9178.2-155.3174.9000110.3L4 Y93 L94 L101 L102 I105 R123L4-I97 HydrophobicContact CD1-CG1 4.48Å; L4-I97 HydrophobicContact CD2-CG1 4.45Å; Y93-I97 PolarHBondContact O-N 3.31Å; L94-I97 WeakPolarHBondContact O-CG2 3.06Å; I97-L101 HydrophobicContact CD1-CB 3.72Å; I97-L101 HydrophobicContact CD1-CD1 4.15Å; I97-L101 HydrophobicContact CG1-CB 3.88Å; I97-L101 HydrophobicContact CG1-CD1 4.03Å; I97-L102 HydrophobicContact CG2-CB 3.85Å; I97-L102 HydrophobicContact CG2-CD1 3.87Å; I97-L102 HydrophobicContact CG2-CD2 4.14Å; I97-L102 HydrophobicContact CG2-CG 4.17Å; I97-I105 HydrophobicContact CD1-CD1 3.69Å; I97-R123 PolarHBondContact O-NH2 3.2Å
98Q86.2Confident85.3Confident111 Ų11170.8 Ų70.852%0.51935%0.345SS..  trans-68.5149.3174.161.9-172.4-46.300112D100 L101 L102Q98-D100 VanDerWaalsContact C-N 3.3Å; Q98-D100 PolarHBondContact O-N 3.44Å; Q98-L101 HydrophobicContact CG-CB 3.84Å; Q98-L101 HydrophobicContact CG-CD1 3.77Å; Q98-L101 HydrophobicContact CG-CG 3.64Å; Q98-L101 PolarHBondContact O-N 2.94Å; Q98-L102 PolarHBondContact O-N 3.27Å
99D87.2Confident85.1Confident71 Ų7167.8 Ų67.838%0.3833%0.333SS..Hα-helixtrans-58.3-37.9-175.7-73.1-10.6000113L101 L102 L103 R123 L127D99-L101 PolarHBondContact O-N 3.28Å; D99-L102 WeakPolarHBondContact O-CB 3.34Å; D99-L102 PolarHBondContact O-N 3.02Å; D99-L103 WeakPolarHBondContact O-CB 3.19Å; D99-L103 VanDerWaalsContact O-CG 3.27Å; D99-L103 WeakPolarHBondContact O-CG 3.44Å; D99-L103 PolarHBondContact O-N 2.66Å; D99-R123 IonicContact OD1-CZ 3.28Å; D99-R123 VanDerWaalsContact OD1-CZ 3.26Å; D99-R123 IonicContact OD1-NE 3.02Å; D99-R123 PolarHBondContact OD1-NE 3.06Å; D99-R123 IonicContact OD1-NH2 3.89Å; D99-R123 PolarHBondContact OD1-NH2 3.19Å; D99-L127 HydrophobicContact CB-CD2 3.84Å
100D85.8Confident84.8Confident98 Ų9872.8 Ų72.852%0.52435%0.347SS..Hα-helixtrans-64.7-39.8-180-65.7-37.9000112.8Q98 K104Q98-D100 VanDerWaalsContact C-N 3.3Å; Q98-D100 PolarHBondContact O-N 3.44Å; D100-K104 PolarHBondContact O-N 3.17Å
101L86.8Confident84.4Confident73 Ų7368.4 Ų68.438%0.38233%0.328SS..Hα-helixtrans-70.3-37.3174.2-73.6-179.4000111I97 Q98 D99 K104 I105I97-L101 HydrophobicContact CD1-CB 3.72Å; I97-L101 HydrophobicContact CD1-CD1 4.15Å; I97-L101 HydrophobicContact CG1-CB 3.88Å; I97-L101 HydrophobicContact CG1-CD1 4.03Å; Q98-L101 HydrophobicContact CG-CB 3.84Å; Q98-L101 HydrophobicContact CG-CD1 3.77Å; Q98-L101 HydrophobicContact CG-CG 3.64Å; Q98-L101 PolarHBondContact O-N 2.94Å; D99-L101 PolarHBondContact O-N 3.28Å; L101-K104 PolarHBondContact O-N 3.48Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 3.13Å
102L88.3Confident84.3Confident1 Ų174 Ų741%0.00535%0.353CS..Hα-helixtrans-64-45.8178-165.547.8000111.4L94 I97 Q98 D99 K104 I105 M106 F124 L127L94-L102 HydrophobicContact CD1-CD1 3.57Å; L94-L102 HydrophobicContact CG-CD1 4.23Å; I97-L102 HydrophobicContact CG2-CB 3.85Å; I97-L102 HydrophobicContact CG2-CD1 3.87Å; I97-L102 HydrophobicContact CG2-CD2 4.14Å; I97-L102 HydrophobicContact CG2-CG 4.17Å; Q98-L102 PolarHBondContact O-N 3.27Å; D99-L102 WeakPolarHBondContact O-CB 3.34Å; D99-L102 PolarHBondContact O-N 3.02Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.65Å; L102-I105 PolarHBondContact O-N 3.29Å; L102-M106 HydrophobicContact CD1-CG 4.48Å; L102-M106 HydrophobicContact CD1-SD 4.42Å; L102-M106 HydrophobicContact CG-SD 3.96Å; L102-M106 WeakPolarHBondContact O-CB 3.41Å; L102-M106 WeakPolarHBondContact O-CG 3.48Å; L102-M106 PolarHBondContact O-N 3.37Å; L102-F124 HydrophobicContact CD1-CE1 3.95Å; L102-F124 HydrophobicContact CD2-CD1 4.19Å; L102-F124 HydrophobicContact CD2-CE1 3.61Å; L102-F124 HydrophobicContact CD2-CZ 4.38Å; L102-F124 HydrophobicContact CG-CE1 4.06Å; L102-L127 HydrophobicContact CB-CD1 4.33Å; L102-L127 HydrophobicContact CD2-CD1 3.52Å; L102-L127 HydrophobicContact CG-CD1 4Å
103L87.4Confident84.4Confident6 Ų674 Ų743%0.03135%0.353CS..Hα-helixtrans-56.3-43.3173.7-75.4172.6000111.4D99 M106 S107 L127 K132 F133 L136D99-L103 WeakPolarHBondContact O-CB 3.19Å; D99-L103 VanDerWaalsContact O-CG 3.27Å; D99-L103 WeakPolarHBondContact O-CG 3.44Å; D99-L103 PolarHBondContact O-N 2.66Å; L103-M106 PolarHBondContact O-N 2.84Å; L103-S107 WeakPolarHBondContact O-CB 3.49Å; L103-S107 PolarHBondContact O-N 3.28Å; L103-L127 HydrophobicContact CD1-CD2 4.31Å; L103-L127 HydrophobicContact CD2-CB 3.98Å; L103-L127 HydrophobicContact CD2-CD2 4.03Å; L103-L127 HydrophobicContact CG-CD2 4.04Å; L103-K132 HydrophobicContact CD1-CB 4.39Å; L103-F133 HydrophobicContact CD2-CB 3.74Å; L103-F133 HydrophobicContact CD2-CD2 3.9Å; L103-F133 HydrophobicContact CD2-CG 4.27Å; L103-L136 HydrophobicContact CB-CD1 4.18Å
104K85.5Confident84.4Confident124 Ų12469.3 Ų69.354%0.53933%0.334SS..Hα-helixtrans-63.7-45.2176.5-169.3170.5-175.4174.80112D100 L101 L102 M106 S107 F108D100-K104 PolarHBondContact O-N 3.17Å; L101-K104 PolarHBondContact O-N 3.48Å; L102-K104 VanDerWaalsContact C-N 3.27Å; L102-K104 PolarHBondContact O-N 2.65Å; K104-M106 VanDerWaalsContact C-N 3.34Å; K104-M106 PolarHBondContact O-N 2.7Å; K104-S107 PolarHBondContact O-N 3.29Å; K104-S107 PolarHBondContact O-OG 2.69Å; K104-F108 HydrophobicContact CG-CE2 3.98Å; K104-F108 WeakPolarHBondContact O-CD2 3.27Å; K104-F108 WeakPolarHBondContact O-CE2 3.43Å
105I87.2Confident84.3Confident78 Ų7869.8 Ų69.840%0.433%0.333SS..Hα-helixtrans-59.4-48.2175.2-67.1165000109.9I97 L101 L102 S107 F108 L109I97-I105 HydrophobicContact CD1-CD1 3.69Å; L101-I105 WeakPolarHBondContact O-CG1 3.13Å; L101-I105 PolarHBondContact O-N 3.13Å; L102-I105 PolarHBondContact O-N 3.29Å; I105-S107 VanDerWaalsContact C-N 3.26Å; I105-S107 PolarHBondContact O-N 3.12Å; I105-F108 PolarHBondContact O-N 3.3Å; I105-F108 VanDerWaalsContact O-N 3.12Å; I105-L109 HydrophobicContact CG2-CD1 4.32Å; I105-L109 WeakPolarHBondContact O-CD1 3.42Å
106M85.6Confident84.8Confident3 Ų368.9 Ų68.92%0.01533%0.331CS..Hα-helixtrans-64.4-28.7-179.2-65.4172.270.700113.1L102 L103 K104 F108 L109 L117 F124 L127 C128 F133L102-M106 HydrophobicContact CD1-CG 4.48Å; L102-M106 HydrophobicContact CD1-SD 4.42Å; L102-M106 HydrophobicContact CG-SD 3.96Å; L102-M106 WeakPolarHBondContact O-CB 3.41Å; L102-M106 WeakPolarHBondContact O-CG 3.48Å; L102-M106 PolarHBondContact O-N 3.37Å; L103-M106 PolarHBondContact O-N 2.84Å; K104-M106 VanDerWaalsContact C-N 3.34Å; K104-M106 PolarHBondContact O-N 2.7Å; M106-F108 PolarHBondContact O-N 3.17Å; M106-L109 PolarHBondContact O-N 2.81Å; M106-L109 VanDerWaalsContact O-N 3.13Å; M106-L117 HydrophobicContact CE-CB 4.47Å; M106-F124 HydrophobicContact CE-CD1 4.27Å; M106-F124 HydrophobicContact SD-CD1 4.02Å; M106-F124 HydrophobicContact SD-CE1 4.49Å; M106-L127 HydrophobicContact SD-CB 4.49Å; M106-C128 WeakPolarHBondContact CE-SG 3.45Å; M106-F133 HydrophobicContact CB-CD2 4.48Å; M106-F133 HydrophobicContact CB-CE2 3.79Å; M106-F133 HydrophobicContact CE-CE2 4.32Å
107S83Confident85Confident4 Ų467 Ų673%0.02833%0.326CS..THydrogen-bonded Turntrans-68-15.2176.275.80000114.1L103 K104 I105 N140L103-S107 WeakPolarHBondContact O-CB 3.49Å; L103-S107 PolarHBondContact O-N 3.28Å; K104-S107 PolarHBondContact O-N 3.29Å; K104-S107 PolarHBondContact O-OG 2.69Å; I105-S107 VanDerWaalsContact C-N 3.26Å; I105-S107 PolarHBondContact O-N 3.12Å; S107-N140 WeakPolarHBondContact CB-ND2 3.37Å; S107-N140 PolarHBondContact O-ND2 3.38Å; S107-N140 PolarHBondContact OG-ND2 3.2Å
108F83.5Confident85Confident148 Ų14866.4 Ų66.465%0.64933%0.325SS*.THydrogen-bonded Turntrans-92.2-7.6173.3-66-69000113.3K104 I105 M106K104-F108 HydrophobicContact CG-CE2 3.98Å; K104-F108 WeakPolarHBondContact O-CD2 3.27Å; K104-F108 WeakPolarHBondContact O-CE2 3.43Å; I105-F108 PolarHBondContact O-N 3.3Å; I105-F108 VanDerWaalsContact O-N 3.12Å; M106-F108 PolarHBondContact O-N 3.17Å
109L85.2Confident85Confident53 Ų5368.9 Ų68.928%0.27734%0.336SS..SBendtrans-85.4153.2179.7-84.980.1000111.2I105 M106 D113 R114 L117I105-L109 HydrophobicContact CG2-CD1 4.32Å; I105-L109 WeakPolarHBondContact O-CD1 3.42Å; M106-L109 PolarHBondContact O-N 2.81Å; M106-L109 VanDerWaalsContact O-N 3.13Å; L109-D113 HydrophobicContact CB-CB 4.48Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; L109-R114 HydrophobicContact CB-CG 4.08Å; L109-R114 PolarHBondContact O-NE 3.18Å; L109-L117 HydrophobicContact CD2-CD1 3.41Å; L109-L117 VanDerWaalsContact CD2-CD1 3.41Å
110Q82.6Confident85Confident136 Ų13671.3 Ų71.364%0.63635%0.349SS*.  trans-65.5155.4174.8-61.5-1744.300111.3K112 D113 R114Q110-K112 PolarHBondContact O-N 3.46Å; Q110-D113 PolarHBondContact O-N 3.27Å; Q110-R114 VanDerWaalsContact C-NE 3.31Å; Q110-R114 VanDerWaalsContact O-CG 3.28Å; Q110-R114 WeakPolarHBondContact O-CG 3.33Å; Q110-R114 PolarHBondContact O-N 3.46Å; Q110-R114 PolarHBondContact O-NE 2.93Å
111L80Confident85Confident29 Ų2968.4 Ų68.415%0.15234%0.336CS..Hα-helixtrans-58.2-36.1-177.8-160.571.9000112.8R114 F115 W134 Y162L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.87Å; L111-F115 HydrophobicContact CD1-CE2 4.38Å; L111-F115 HydrophobicContact CD2-CE2 4.07Å; L111-F115 HydrophobicContact CG-CD2 4.44Å; L111-F115 HydrophobicContact CG-CE2 3.69Å; L111-F115 HydrophobicContact CG-CZ 4.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.44Å; L111-F115 PolarHBondContact O-N 2.99Å; L111-W134 HydrophobicContact CD1-CH2 4.05Å; L111-W134 HydrophobicContact CD1-CZ3 4.05Å; L111-Y162 HydrophobicContact CD1-CE1 4.06Å; L111-Y162 HydrophobicContact CD2-CE1 3.87Å
112K83.6Confident85Confident163 Ų16373.5 Ų73.571%0.70936%0.355SS*.Hα-helixtrans-63.1-49177-64.8179.6-179.1176.60111.9Q110 R114 F115 V116Q110-K112 PolarHBondContact O-N 3.46Å; K112-R114 VanDerWaalsContact C-N 3.27Å; K112-R114 PolarHBondContact O-N 3.35Å; K112-F115 PolarHBondContact O-N 3.43Å; K112-V116 PolarHBondContact O-N 3Å
113D85.3Confident85Confident76 Ų7676.1 Ų76.141%0.40637%0.365SS..Hα-helixtrans-66.9-31.8-178.6-55.6-33.5000111.8L109 Q110 F115 V116 L117L109-D113 HydrophobicContact CB-CB 4.48Å; L109-D113 HydrophobicContact CD2-CB 4.07Å; Q110-D113 PolarHBondContact O-N 3.27Å; D113-F115 VanDerWaalsContact C-N 3.33Å; D113-F115 PolarHBondContact O-N 2.89Å; D113-V116 PolarHBondContact O-N 3.19Å; D113-L117 PolarHBondContact O-N 2.98Å
114R80.6Confident85Confident8 Ų876.5 Ų76.53%0.0337%0.366CS..Hα-helixtrans-60-39.8173.5-71.8177.8-89.1-168.54.1112.3L109 Q110 L111 K112 A118 C128 F133 T137 D141L109-R114 HydrophobicContact CB-CG 4.08Å; L109-R114 PolarHBondContact O-NE 3.18Å; Q110-R114 VanDerWaalsContact C-NE 3.31Å; Q110-R114 VanDerWaalsContact O-CG 3.28Å; Q110-R114 WeakPolarHBondContact O-CG 3.33Å; Q110-R114 PolarHBondContact O-N 3.46Å; Q110-R114 PolarHBondContact O-NE 2.93Å; L111-R114 WeakPolarHBondContact O-CB 3.36Å; L111-R114 PolarHBondContact O-N 2.87Å; K112-R114 VanDerWaalsContact C-N 3.27Å; K112-R114 PolarHBondContact O-N 3.35Å; R114-A118 PolarHBondContact O-N 3.42Å; R114-A118 VanDerWaalsContact O-N 3.1Å; R114-C128 PolarHBondContact O-SG 3Å; R114-F133 HydrophobicContact CB-CZ 4.17Å; R114-F133 HydrophobicContact CG-CZ 3.9Å; R114-T137 PolarHBondContact NH1-OG1 3.18Å; R114-D141 IonicContact NH2-OD2 3.3Å; R114-D141 PolarHBondContact NH2-OD2 3.26Å
115F81.6Confident85.1Confident92 Ų9274 Ų7440%0.40436%0.359SS..Hα-helixtrans-72.2-34.4176.4-68.1-63.1000112.9L111 K112 D113 A118 Q119L111-F115 HydrophobicContact CD1-CE2 4.38Å; L111-F115 HydrophobicContact CD2-CE2 4.07Å; L111-F115 HydrophobicContact CG-CD2 4.44Å; L111-F115 HydrophobicContact CG-CE2 3.69Å; L111-F115 HydrophobicContact CG-CZ 4.3Å; L111-F115 WeakPolarHBondContact O-CD2 3.44Å; L111-F115 PolarHBondContact O-N 2.99Å; K112-F115 PolarHBondContact O-N 3.43Å; D113-F115 VanDerWaalsContact C-N 3.33Å; D113-F115 PolarHBondContact O-N 2.89Å; F115-A118 PolarHBondContact O-N 3.45Å; F115-Q119 WeakPolarHBondContact O-CG 3.49Å; F115-Q119 PolarHBondContact O-N 3.06Å
116V88.8Confident85.2Confident83 Ų8376.5 Ų76.550%0.50337%0.371SS..Hα-helixtrans-62.7-46.9173.4178.60000109.8K112 D113 A118 Q119K112-V116 PolarHBondContact O-N 3Å; D113-V116 PolarHBondContact O-N 3.19Å; V116-A118 VanDerWaalsContact C-N 3.31Å; V116-A118 PolarHBondContact O-N 3.32Å; V116-Q119 WeakPolarHBondContact O-CB 3.41Å; V116-Q119 PolarHBondContact O-N 3Å
117L85Confident85.2Confident27 Ų2777 Ų7714%0.14137%0.373CS..Hα-helixtrans-56.8-42175.5-85.9161.3000112.8M106 L109 D113 Q119 L120 F124M106-L117 HydrophobicContact CE-CB 4.47Å; L109-L117 HydrophobicContact CD2-CD1 3.41Å; L109-L117 VanDerWaalsContact CD2-CD1 3.41Å; D113-L117 PolarHBondContact O-N 2.98Å; L117-Q119 PolarHBondContact O-N 3.24Å; L117-Q119 VanDerWaalsContact O-N 3.13Å; L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 3.39Å; L117-F124 HydrophobicContact CD2-CD1 4.45Å; L117-F124 HydrophobicContact CD2-CE1 4.42Å; L117-F124 WeakPolarHBondContact O-CB 2.96Å
118A85.9Confident85.3Confident11 Ų1177.3 Ų77.39%0.09138%0.375CS..Hα-helixtrans-60.8-21.8177.900000113.7R114 F115 V116 N125 C128R114-A118 PolarHBondContact O-N 3.42Å; R114-A118 VanDerWaalsContact O-N 3.1Å; F115-A118 PolarHBondContact O-N 3.45Å; V116-A118 VanDerWaalsContact C-N 3.31Å; V116-A118 PolarHBondContact O-N 3.32Å; A118-N125 VanDerWaalsContact O-CB 3.31Å; A118-N125 WeakPolarHBondContact O-CB 3.28Å; A118-N125 PolarHBondContact O-ND2 3.44Å; A118-C128 HydrophobicContact CB-CB 3.96Å
119Q86.9Confident85.4Confident162 Ų16274.2 Ų74.276%0.75737%0.365SS*.Hα-helixtrans-87.5-17.8178.2-64.317427.200112.9F115 V116 L117F115-Q119 WeakPolarHBondContact O-CG 3.49Å; F115-Q119 PolarHBondContact O-N 3.06Å; V116-Q119 WeakPolarHBondContact O-CB 3.41Å; V116-Q119 PolarHBondContact O-N 3Å; L117-Q119 PolarHBondContact O-N 3.24Å; L117-Q119 VanDerWaalsContact O-N 3.13Å
120L86Confident85.5Confident122 Ų12273.5 Ų73.564%0.63937%0.365SS*.Hα-helixtrans-74.2-37.6-175.8-59.6-176.1000112.8L117 F124L117-L120 HydrophobicContact CD2-CD1 4.08Å; L117-L120 WeakPolarHBondContact O-CB 3.38Å; L117-L120 PolarHBondContact O-N 3.39Å; L120-F124 HydrophobicContact CB-CD2 4.36Å
121S85.4Confident85.6Confident37 Ų3771.5 Ų71.526%0.25936%0.355SS..  trans-149.1154.9179.992.30000112.7R123 F124 N125S121-R123 PolarHBondContact O-N 3.27Å; S121-R123 PolarHBondContact OG-N 3.31Å; S121-F124 PolarHBondContact O-N 3.22Å; S121-F124 WeakPolarHBondContact OG-CD2 3.17Å; S121-F124 PolarHBondContact OG-N 3.1Å; S121-N125 WeakPolarHBondContact O-CB 3.47Å; S121-N125 PolarHBondContact O-N 3.36Å
122K87.2Confident85.8Confident181 Ų18175.8 Ų75.879%0.78737%0.373SS*.Hα-helixtrans-58.4-36173.1-68.7-176.7179.71790111.8N125 M126K122-N125 WeakPolarHBondContact O-CB 3.14Å; K122-N125 PolarHBondContact O-N 3.34Å; K122-M126 WeakPolarHBondContact O-CG 3.46Å; K122-M126 PolarHBondContact O-N 3.17Å
123R88.2Confident85.9Confident55 Ų5568.1 Ų68.121%0.20834%0.34CS..Hα-helixtrans-65.5-48.7178.8-177.9178.2168.9-156-0.8111.4D95 I97 D99 S121 N125 M126 L127D95-R123 VanDerWaalsContact C-NH1 3.29Å; D95-R123 PolarHBondContact O-NH1 3.37Å; D95-R123 IonicContact OD1-NH1 2.76Å; D95-R123 PolarHBondContact OD1-NH1 3.35Å; I97-R123 PolarHBondContact O-NH2 3.2Å; D99-R123 IonicContact OD1-CZ 3.28Å; D99-R123 VanDerWaalsContact OD1-CZ 3.26Å; D99-R123 IonicContact OD1-NE 3.02Å; D99-R123 PolarHBondContact OD1-NE 3.06Å; D99-R123 IonicContact OD1-NH2 3.89Å; D99-R123 PolarHBondContact OD1-NH2 3.19Å; S121-R123 PolarHBondContact O-N 3.27Å; S121-R123 PolarHBondContact OG-N 3.31Å; R123-N125 VanDerWaalsContact C-N 3.27Å; R123-N125 PolarHBondContact O-N 2.94Å; R123-M126 PolarHBondContact O-N 3.25Å; R123-L127 HydrophobicContact CG-CD1 4.28Å; R123-L127 WeakPolarHBondContact O-CG 3.01Å; R123-L127 PolarHBondContact O-N 3.44Å
124F87.2Confident85.9Confident14 Ų1464.8 Ų64.86%0.06132%0.321CS..Hα-helixtrans-61.5-38.8174.7-68.8-61.5000111.9L94 L102 M106 L117 L120 S121 M126 L127 C128L94-F124 HydrophobicContact CD2-CE1 4.11Å; L94-F124 HydrophobicContact CD2-CE2 4.32Å; L94-F124 HydrophobicContact CD2-CZ 3.49Å; L94-F124 VanDerWaalsContact CD2-CZ 3.49Å; L94-F124 HydrophobicContact CG-CE1 4.24Å; L94-F124 HydrophobicContact CG-CZ 3.74Å; L102-F124 HydrophobicContact CD1-CE1 3.95Å; L102-F124 HydrophobicContact CD2-CD1 4.19Å; L102-F124 HydrophobicContact CD2-CE1 3.61Å; L102-F124 HydrophobicContact CD2-CZ 4.38Å; L102-F124 HydrophobicContact CG-CE1 4.06Å; M106-F124 HydrophobicContact CE-CD1 4.27Å; M106-F124 HydrophobicContact SD-CD1 4.02Å; M106-F124 HydrophobicContact SD-CE1 4.49Å; L117-F124 HydrophobicContact CD2-CD1 4.45Å; L117-F124 HydrophobicContact CD2-CE1 4.42Å; L117-F124 WeakPolarHBondContact O-CB 2.96Å; L120-F124 HydrophobicContact CB-CD2 4.36Å; S121-F124 PolarHBondContact O-N 3.22Å; S121-F124 WeakPolarHBondContact OG-CD2 3.17Å; S121-F124 PolarHBondContact OG-N 3.1Å; F124-M126 PolarHBondContact O-N 3.26Å; F124-L127 PolarHBondContact O-N 3.04Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 2.67Å; F124-C128 PolarHBondContact O-SG 2.97Å
125N88.1Confident86.1Confident72 Ų7267 Ų6739%0.38533%0.332SS..Hα-helixtrans-59.4-46.4175.9-162.7-57.6000112.1A118 S121 K122 R123 C128 N129A118-N125 VanDerWaalsContact O-CB 3.31Å; A118-N125 WeakPolarHBondContact O-CB 3.28Å; A118-N125 PolarHBondContact O-ND2 3.44Å; S121-N125 WeakPolarHBondContact O-CB 3.47Å; S121-N125 PolarHBondContact O-N 3.36Å; K122-N125 WeakPolarHBondContact O-CB 3.14Å; K122-N125 PolarHBondContact O-N 3.34Å; R123-N125 VanDerWaalsContact C-N 3.27Å; R123-N125 PolarHBondContact O-N 2.94Å; N125-C128 PolarHBondContact O-N 3.25Å; N125-N129 PolarHBondContact O-N 3.4Å; N125-N129 PolarHBondContact O-ND2 2.97Å; N125-N129 PolarHBondContact OD1-ND2 3.31Å
126M88.6Confident86.2Confident131 Ų13165.4 Ų65.465%0.64533%0.327SS*.Hα-helixtrans-63.4-41.7176.7-71.7-176.2-64.200111.8K122 R123 F124 N129 S130K122-M126 WeakPolarHBondContact O-CG 3.46Å; K122-M126 PolarHBondContact O-N 3.17Å; R123-M126 PolarHBondContact O-N 3.25Å; F124-M126 PolarHBondContact O-N 3.26Å; M126-N129 PolarHBondContact O-N 3.06Å; M126-S130 PolarHBondContact O-N 3.13Å
127L87Confident86Confident14 Ų1461.4 Ų61.47%0.07330%0.303CS..Hα-helixtrans-65.2-45.1178.1-68.1173.6000112.2D99 L102 L103 M106 R123 F124 N129 S130 F133D99-L127 HydrophobicContact CB-CD2 3.84Å; L102-L127 HydrophobicContact CB-CD1 4.33Å; L102-L127 HydrophobicContact CD2-CD1 3.52Å; L102-L127 HydrophobicContact CG-CD1 4Å; L103-L127 HydrophobicContact CD1-CD2 4.31Å; L103-L127 HydrophobicContact CD2-CB 3.98Å; L103-L127 HydrophobicContact CD2-CD2 4.03Å; L103-L127 HydrophobicContact CG-CD2 4.04Å; M106-L127 HydrophobicContact SD-CB 4.49Å; R123-L127 HydrophobicContact CG-CD1 4.28Å; R123-L127 WeakPolarHBondContact O-CG 3.01Å; R123-L127 PolarHBondContact O-N 3.44Å; F124-L127 PolarHBondContact O-N 3.04Å; L127-N129 PolarHBondContact O-N 3.43Å; L127-S130 VanDerWaalsContact O-CB 3.27Å; L127-S130 WeakPolarHBondContact O-CB 3.45Å; L127-S130 PolarHBondContact O-N 3.29Å; L127-S130 VanDerWaalsContact O-N 3.1Å; L127-F133 VanDerWaalsContact O-CB 3.22Å; L127-F133 WeakPolarHBondContact O-CB 3.37Å
128C85.1Confident85.8Confident9 Ų960.2 Ų60.26%0.06130%0.297CS..Hα-helixtrans-63.5-23.1176.4-75.40000113.8M106 R114 A118 F124 N125 F133 W134M106-C128 WeakPolarHBondContact CE-SG 3.45Å; R114-C128 PolarHBondContact O-SG 3Å; A118-C128 HydrophobicContact CB-CB 3.96Å; F124-C128 WeakPolarHBondContact O-CB 3.46Å; F124-C128 PolarHBondContact O-N 2.67Å; F124-C128 PolarHBondContact O-SG 2.97Å; N125-C128 PolarHBondContact O-N 3.25Å; C128-F133 HydrophobicContact CB-CE1 4.36Å; C128-F133 VanDerWaalsContact O-CD1 3.25Å; C128-F133 WeakPolarHBondContact O-CD1 3.46Å; C128-W134 PolarHBondContact O-NE1 3.43Å
129N84.4Confident85.5Confident84 Ų8463.7 Ų63.745%0.44931%0.31SS..THydrogen-bonded Turntrans-97.84177.1-72.2-57000113.2N125 M126 L127 K159N125-N129 PolarHBondContact O-N 3.4Å; N125-N129 PolarHBondContact O-ND2 2.97Å; N125-N129 PolarHBondContact OD1-ND2 3.31Å; M126-N129 PolarHBondContact O-N 3.06Å; L127-N129 PolarHBondContact O-N 3.43Å; N129-K159 PolarHBondContact OD1-NZ 2.94Å
130S87.2Confident85.1Confident38 Ų3859.6 Ų59.627%0.26629%0.293SS..SBendtrans-75.3141177.5-1730000111.8M126 L127 K132 F133 W134M126-S130 PolarHBondContact O-N 3.13Å; L127-S130 VanDerWaalsContact O-CB 3.27Å; L127-S130 WeakPolarHBondContact O-CB 3.45Å; L127-S130 PolarHBondContact O-N 3.29Å; L127-S130 VanDerWaalsContact O-N 3.1Å; S130-K132 PolarHBondContact O-N 3.08Å; S130-F133 VanDerWaalsContact O-CB 3.31Å; S130-F133 WeakPolarHBondContact O-CB 3.48Å; S130-F133 PolarHBondContact O-N 3.36Å; S130-F133 VanDerWaalsContact O-N 3.09Å; S130-W134 VanDerWaalsContact O-CD1 3.3Å; S130-W134 PolarHBondContact O-N 3.19Å
131E85.6Confident84.7Confident93 Ų9356.9 Ų56.944%0.43528%0.279SS..Hα-helixtrans-56.8-39.3172.6-72.1-61.9146.600112F133 W134 E135 W158E131-F133 PolarHBondContact O-N 2.9Å; E131-W134 PolarHBondContact O-N 3.39Å; E131-E135 WeakPolarHBondContact O-CB 3.36Å; E131-E135 PolarHBondContact O-N 3.23Å; E131-W158 WeakPolarHBondContact OE2-CB 3.32Å; E131-W158 PolarHBondContact OE2-N 3.43Å
132K84.9Confident84Confident120 Ų12056 Ų5652%0.52227%0.273SS..Hα-helixtrans-59-34.7177.3-68.3-176.8175.8-177.10112.7L103 S130 L136L103-K132 HydrophobicContact CD1-CB 4.39Å; S130-K132 PolarHBondContact O-N 3.08Å; K132-L136 WeakPolarHBondContact O-CB 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.22Å; K132-L136 PolarHBondContact O-N 3.1Å; K132-L136 VanDerWaalsContact O-N 3.08Å
133F85.1Confident82.9Confident2 Ų253.1 Ų53.11%0.00927%0.273CS..Hα-helixtrans-68.7-44.9179.2173.7-104.4000111.7L103 M106 R114 L127 C128 S130 E131 L136 T137L103-F133 HydrophobicContact CD2-CB 3.74Å; L103-F133 HydrophobicContact CD2-CD2 3.9Å; L103-F133 HydrophobicContact CD2-CG 4.27Å; M106-F133 HydrophobicContact CB-CD2 4.48Å; M106-F133 HydrophobicContact CB-CE2 3.79Å; M106-F133 HydrophobicContact CE-CE2 4.32Å; R114-F133 HydrophobicContact CB-CZ 4.17Å; R114-F133 HydrophobicContact CG-CZ 3.9Å; L127-F133 VanDerWaalsContact O-CB 3.22Å; L127-F133 WeakPolarHBondContact O-CB 3.37Å; C128-F133 HydrophobicContact CB-CE1 4.36Å; C128-F133 VanDerWaalsContact O-CD1 3.25Å; C128-F133 WeakPolarHBondContact O-CD1 3.46Å; S130-F133 VanDerWaalsContact O-CB 3.31Å; S130-F133 WeakPolarHBondContact O-CB 3.48Å; S130-F133 PolarHBondContact O-N 3.36Å; S130-F133 VanDerWaalsContact O-N 3.09Å; E131-F133 PolarHBondContact O-N 2.9Å; F133-L136 PolarHBondContact O-N 3.24Å; F133-T137 WeakPolarHBondContact O-CB 3.09Å; F133-T137 PolarHBondContact O-N 3.31Å; F133-T137 PolarHBondContact O-OG1 2.92Å
134W85.6Confident81.9Confident5 Ų557 Ų572%0.01930%0.298CS..Hα-helixtrans-70.2-35.9178.5-70.5101000111.6L111 C128 S130 E131 T137 V138 W158 K159 Y162 F163L111-W134 HydrophobicContact CD1-CH2 4.05Å; L111-W134 HydrophobicContact CD1-CZ3 4.05Å; C128-W134 PolarHBondContact O-NE1 3.43Å; S130-W134 VanDerWaalsContact O-CD1 3.3Å; S130-W134 PolarHBondContact O-N 3.19Å; E131-W134 PolarHBondContact O-N 3.39Å; W134-T137 WeakPolarHBondContact O-CB 3.31Å; W134-T137 PolarHBondContact O-N 3.18Å; W134-V138 VanDerWaalsContact O-CG2 3.31Å; W134-V138 WeakPolarHBondContact O-CG2 3.47Å; W134-V138 PolarHBondContact O-N 2.85Å; W134-W158 HydrophobicContact CB-CB 3.49Å; W134-W158 VanDerWaalsContact CB-CB 3.49Å; W134-K159 HydrophobicContact CB-CB 4.46Å; W134-K159 HydrophobicContact CD2-CB 3.85Å; W134-K159 HydrophobicContact CD2-CG 3.89Å; W134-K159 HydrophobicContact CE3-CG 4.4Å; W134-K159 HydrophobicContact CG-CB 3.76Å; W134-K159 HydrophobicContact CG-CG 4.31Å; W134-K159 HydrophobicContact CH2-CG 4.37Å; W134-K159 HydrophobicContact CZ2-CD 4.01Å; W134-K159 HydrophobicContact CZ2-CG 3.87Å; W134-Y162 HydrophobicContact CE3-CD1 4.17Å; W134-Y162 HydrophobicContact CE3-CG 4.05Å; W134-Y162 AromaticContact CZ3-CD1 3.62Å; W134-Y162 HydrophobicContact CZ3-CD1 3.62Å; W134-Y162 HydrophobicContact CZ3-CE1 4.08Å; W134-Y162 AromaticContact CZ3-CG 3.98Å; W134-Y162 HydrophobicContact CZ3-CG 3.98Å; W134-F163 HydrophobicContact CH2-CE2 4.01Å; W134-F163 HydrophobicContact CH2-CZ 4.18Å; W134-F163 HydrophobicContact CZ3-CE2 4.33Å
135E85.1Confident81Confident56 Ų5660.5 Ų60.526%0.26231%0.311SS..Hα-helixtrans-57.2-51.6170.3-176.4-172.5165.100111.8E131 T137 V138 K139 W158E131-E135 WeakPolarHBondContact O-CB 3.36Å; E131-E135 PolarHBondContact O-N 3.23Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.96Å; E135-V138 PolarHBondContact O-N 3.09Å; E135-K139 HydrophobicContact CG-CD 4.22Å; E135-K139 WeakPolarHBondContact O-CB 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.25Å; E135-K139 PolarHBondContact O-N 2.87Å; E135-K139 IonicContact OE1-NZ 3.26Å; E135-K139 PolarHBondContact OE1-NZ 3.48Å; E135-W158 HydrophobicContact CB-CD2 3.71Å; E135-W158 HydrophobicContact CB-CE3 4.21Å; E135-W158 HydrophobicContact CB-CG 3.93Å; E135-W158 HydrophobicContact CB-CZ2 4.32Å; E135-W158 HydrophobicContact CG-CD2 4.03Å; E135-W158 HydrophobicContact CG-CE3 4.34Å; E135-W158 HydrophobicContact CG-CH2 4.08Å; E135-W158 HydrophobicContact CG-CZ2 3.74Å; E135-W158 HydrophobicContact CG-CZ3 4.36Å
136L83.7Confident80.4Confident57 Ų5761.6 Ų61.630%0.29831%0.314SS..Hα-helixtrans-62.4-37.4177.9-76.1169.3000112.2L103 K132 F133 K139 N140L103-L136 HydrophobicContact CB-CD1 4.18Å; K132-L136 WeakPolarHBondContact O-CB 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.22Å; K132-L136 PolarHBondContact O-N 3.1Å; K132-L136 VanDerWaalsContact O-N 3.08Å; F133-L136 PolarHBondContact O-N 3.24Å; L136-K139 PolarHBondContact O-N 3.2Å; L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 2.98Å
137T83Confident79.7Confident0 Ų059.4 Ų59.40%031%0.308CS..Hα-helixtrans-63-49.9176.9-67.20000111.3R114 F133 W134 E135 K139 N140 D141 Y162R114-T137 PolarHBondContact NH1-OG1 3.18Å; F133-T137 WeakPolarHBondContact O-CB 3.09Å; F133-T137 PolarHBondContact O-N 3.31Å; F133-T137 PolarHBondContact O-OG1 2.92Å; W134-T137 WeakPolarHBondContact O-CB 3.31Å; W134-T137 PolarHBondContact O-N 3.18Å; E135-T137 VanDerWaalsContact C-N 3.28Å; E135-T137 PolarHBondContact O-N 2.96Å; T137-K139 VanDerWaalsContact C-N 3.31Å; T137-K139 PolarHBondContact O-N 3.29Å; T137-N140 PolarHBondContact O-N 2.95Å; T137-D141 VanDerWaalsContact O-CB 3.3Å; T137-D141 WeakPolarHBondContact O-CB 3.43Å; T137-D141 PolarHBondContact O-N 2.72Å; T137-Y162 HydrophobicContact CG2-CD2 3.85Å; T137-Y162 HydrophobicContact CG2-CE2 3.5Å
138V80.5Confident79.2Confident2 Ų263.7 Ų63.71%0.01233%0.331CS..Hα-helixtrans-61.2-42.2177.8172.10000110.6W134 E135 N140 C142 W158 Y162W134-V138 VanDerWaalsContact O-CG2 3.31Å; W134-V138 WeakPolarHBondContact O-CG2 3.47Å; W134-V138 PolarHBondContact O-N 2.85Å; E135-V138 PolarHBondContact O-N 3.09Å; V138-N140 VanDerWaalsContact C-N 3.35Å; V138-N140 PolarHBondContact O-N 2.97Å; V138-C142 WeakPolarHBondContact O-CB 3.27Å; V138-C142 PolarHBondContact O-N 3.49Å; V138-W158 HydrophobicContact CB-CE3 4.39Å; V138-W158 HydrophobicContact CG1-CZ3 4.37Å; V138-W158 HydrophobicContact CG2-CE3 4.35Å; V138-Y162 HydrophobicContact CG2-CD2 3.79Å; V138-Y162 HydrophobicContact CG2-CG 4.36Å
139K80.8Confident78.7Confident83 Ų8364.7 Ų64.736%0.36134%0.335SS..Hα-helixtrans-64.6-34.6178.3-75.7176.8174.8175.50113.7E135 L136 T137 Y145E135-K139 HydrophobicContact CG-CD 4.22Å; E135-K139 WeakPolarHBondContact O-CB 3.3Å; E135-K139 WeakPolarHBondContact O-CG 3.25Å; E135-K139 PolarHBondContact O-N 2.87Å; E135-K139 IonicContact OE1-NZ 3.26Å; E135-K139 PolarHBondContact OE1-NZ 3.48Å; L136-K139 PolarHBondContact O-N 3.2Å; T137-K139 VanDerWaalsContact C-N 3.31Å; T137-K139 PolarHBondContact O-N 3.29Å; K139-Y145 HydrophobicContact CG-CD2 4.08Å; K139-Y145 HydrophobicContact CG-CE2 3.89Å
140N78.9Confident78.6Confident76 Ų7663.7 Ų63.741%0.40633%0.328SS..Hα-helixtrans-82-38.3178.6-75.7-7.4000112.7S107 L136 T137 V138S107-N140 WeakPolarHBondContact CB-ND2 3.37Å; S107-N140 PolarHBondContact O-ND2 3.38Å; S107-N140 PolarHBondContact OG-ND2 3.2Å; L136-N140 WeakPolarHBondContact O-CB 3.44Å; L136-N140 PolarHBondContact O-N 2.98Å; T137-N140 PolarHBondContact O-N 2.95Å; V138-N140 VanDerWaalsContact C-N 3.35Å; V138-N140 PolarHBondContact O-N 2.97Å
141D76.2Confident78.3Confident65 Ų6566.1 Ų66.135%0.34834%0.338SS..Hα-helixtrans-83.3-20.3-175.1-68.8-10.6000111.9R114 T137 P143 Y162 F166R114-D141 IonicContact NH2-OD2 3.3Å; R114-D141 PolarHBondContact NH2-OD2 3.26Å; T137-D141 VanDerWaalsContact O-CB 3.3Å; T137-D141 WeakPolarHBondContact O-CB 3.43Å; T137-D141 PolarHBondContact O-N 2.72Å; D141-P143 WeakPolarHBondContact O-CD 3.31Å; D141-Y162 HydrophobicContact CB-CE2 4.44Å; D141-Y162 PolarHBondContact OD2-OH 3.03Å; D141-F166 HydrophobicContact CB-CE1 4.47Å; D141-F166 HydrophobicContact CB-CZ 4.43Å
142C72.6Confident78.1Confident18 Ų1864.8 Ų64.812%0.12233%0.333CS..  trans-101.5113.7178.7-154.60000112.3V138 D144 F166V138-C142 WeakPolarHBondContact O-CB 3.27Å; V138-C142 PolarHBondContact O-N 3.49Å; C142-D144 VanDerWaalsContact C-N 3.32Å; C142-F166 HydrophobicContact CB-CZ 3.85Å
143P63.9Low78Confident122 Ų12259.2 Ų59.279%0.79231%0.31SS*.SBendtrans-68.1-31.1171.4-16.830.4000113D141D141-P143 WeakPolarHBondContact O-CD 3.31Å
144D65.8Low77.9Confident136 Ų13665.7 Ų65.773%0.72734%0.338SS*.SBendtrans-106.860.6-174.3-63.8-41.8000111.3C142 H146C142-D144 VanDerWaalsContact C-N 3.32Å; D144-H146 PolarHBondContact O-N 3.32Å
145Y69.6Low77.8Confident88 Ų8869.5 Ų69.535%0.34537%0.37SS..  trans-62.7119.7176.9-179.6-100.4000111.3K139 E150K139-Y145 HydrophobicContact CG-CD2 4.08Å; K139-Y145 HydrophobicContact CG-CE2 3.89Å; Y145-E150 PolarHBondContact OH-OE2 3.18Å
146H74.1Confident77.7Confident95 Ų9570.4 Ų70.444%0.4438%0.375SS..  trans-118.8148.7-178.7-170.1-100.4000112.4D144 D148 M149D144-H146 PolarHBondContact O-N 3.32Å; H146-D148 VanDerWaalsContact C-N 3.26Å; H146-D148 IonicContact CE1-OD1 3.29Å; H146-D148 PolarHBondContact CE1-OD1 3.42Å; H146-D148 VanDerWaalsContact CE1-OD1 3.3Å; H146-D148 IonicContact CE1-OD2 2.7Å; H146-D148 PolarHBondContact CE1-OD2 2.99Å; H146-D148 VanDerWaalsContact ND1-CB 3.32Å; H146-D148 WeakPolarHBondContact ND1-CB 3.4Å; H146-D148 PolarHBondContact ND1-N 3.39Å; H146-D148 IonicContact ND1-OD1 3.21Å; H146-D148 IonicContact ND1-OD2 3.56Å; H146-D148 PolarHBondContact ND1-OD2 2.92Å; H146-D148 PolarHBondContact O-N 3.31Å; H146-M149 WeakPolarHBondContact O-CB 3.23Å; H146-M149 PolarHBondContact O-N 2.83Å
147T75.5Confident77.8Confident84 Ų8468.4 Ų68.452%0.51537%0.369SS..Hα-helixtrans-56.9-36.8179.7-49.30000112.7M149 E150 D151T147-M149 PolarHBondContact O-N 3.36Å; T147-E150 WeakPolarHBondContact O-CA 3.33Å; T147-E150 WeakPolarHBondContact O-CB 3.24Å; T147-E150 PolarHBondContact O-N 3.33Å; T147-D151 PolarHBondContact O-N 3.48Å; T147-D151 VanDerWaalsContact O-N 3.08Å
148D75.9Confident77.8Confident105 Ų10569.4 Ų69.456%0.56137%0.372SS*.Hα-helixtrans-61.5-30.5177.8-60.8-10.8000112.7H146 E150 D151 L152H146-D148 VanDerWaalsContact C-N 3.26Å; H146-D148 IonicContact CE1-OD1 3.29Å; H146-D148 PolarHBondContact CE1-OD1 3.42Å; H146-D148 VanDerWaalsContact CE1-OD1 3.3Å; H146-D148 IonicContact CE1-OD2 2.7Å; H146-D148 PolarHBondContact CE1-OD2 2.99Å; H146-D148 VanDerWaalsContact ND1-CB 3.32Å; H146-D148 WeakPolarHBondContact ND1-CB 3.4Å; H146-D148 PolarHBondContact ND1-N 3.39Å; H146-D148 IonicContact ND1-OD1 3.21Å; H146-D148 IonicContact ND1-OD2 3.56Å; H146-D148 PolarHBondContact ND1-OD2 2.92Å; H146-D148 PolarHBondContact O-N 3.31Å; D148-E150 VanDerWaalsContact C-N 3.31Å; D148-D151 PolarHBondContact O-N 3.06Å; D148-L152 VanDerWaalsContact O-CB 3.26Å; D148-L152 WeakPolarHBondContact O-CB 3.33Å; D148-L152 PolarHBondContact O-N 3.37Å
149M75.2Confident77.9Confident30 Ų3072.9 Ų72.915%0.14839%0.387CS..Hα-helixtrans-69.6-32.7175.1-67.6-172.8179.500111.4H146 T147 A153 F165H146-M149 WeakPolarHBondContact O-CB 3.23Å; H146-M149 PolarHBondContact O-N 2.83Å; T147-M149 PolarHBondContact O-N 3.36Å; M149-A153 WeakPolarHBondContact O-CB 3.34Å; M149-A153 PolarHBondContact O-N 3.09Å; M149-F165 HydrophobicContact CE-CD1 4.27Å; M149-F165 HydrophobicContact CE-CD2 4.49Å; M149-F165 HydrophobicContact CE-CE1 4.33Å; M149-F165 HydrophobicContact CE-CG 4.37Å; M149-F165 HydrophobicContact CE-CZ 4.47Å; M149-F165 HydrophobicContact CG-CE2 3.99Å; M149-F165 HydrophobicContact CG-CZ 4.19Å
150E80.6Confident78Confident63 Ų6372.5 Ų72.529%0.29439%0.392SS..Hα-helixtrans-70.4-41.9176-162.4-172.3151.200111.2Y145 T147 D148 A153 K154 W158Y145-E150 PolarHBondContact OH-OE2 3.18Å; T147-E150 WeakPolarHBondContact O-CA 3.33Å; T147-E150 WeakPolarHBondContact O-CB 3.24Å; T147-E150 PolarHBondContact O-N 3.33Å; D148-E150 VanDerWaalsContact C-N 3.31Å; E150-A153 PolarHBondContact O-N 2.9Å; E150-K154 WeakPolarHBondContact O-CB 3.4Å; E150-K154 VanDerWaalsContact O-CG 3.28Å; E150-K154 WeakPolarHBondContact O-CG 3.49Å; E150-K154 PolarHBondContact O-N 3.34Å; E150-K154 VanDerWaalsContact OE1-CE 3.23Å; E150-K154 WeakPolarHBondContact OE1-CE 3.28Å; E150-K154 IonicContact OE1-NZ 3.6Å; E150-K154 PolarHBondContact OE1-NZ 3.38Å; E150-W158 HydrophobicContact CB-CH2 4.26Å; E150-W158 HydrophobicContact CG-CH2 3.95Å; E150-W158 HydrophobicContact CG-CZ2 4.06Å
151D82.1Confident78.2Confident89 Ų8968.9 Ų68.948%0.47637%0.373SS..Hα-helixtrans-67.3-40.1177.2-70.4-25.3000111.7T147 D148 K154 A155T147-D151 PolarHBondContact O-N 3.48Å; T147-D151 VanDerWaalsContact O-N 3.08Å; D148-D151 PolarHBondContact O-N 3.06Å; D151-K154 PolarHBondContact O-N 3.08Å; D151-A155 PolarHBondContact O-N 3.3Å; D151-A155 VanDerWaalsContact O-N 3.12Å
152L81.1Confident78.4Confident65 Ų6566.7 Ų66.734%0.3436%0.359SS..Hα-helixtrans-64.5-45.4173.5-171.761.4000111.1D148 K154 A155 M156 T161 F165D148-L152 VanDerWaalsContact O-CB 3.26Å; D148-L152 WeakPolarHBondContact O-CB 3.33Å; D148-L152 PolarHBondContact O-N 3.37Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 2.97Å; L152-A155 WeakPolarHBondContact O-CA 3.32Å; L152-A155 WeakPolarHBondContact O-CB 3.19Å; L152-A155 PolarHBondContact O-N 3.49Å; L152-M156 HydrophobicContact CD1-CG 4.34Å; L152-M156 HydrophobicContact CD1-SD 3.35Å; L152-M156 WeakPolarHBondContact CD1-SD 3.26Å; L152-M156 HydrophobicContact CD2-SD 4Å; L152-M156 HydrophobicContact CG-CG 4.25Å; L152-M156 HydrophobicContact CG-SD 3.45Å; L152-M156 WeakPolarHBondContact CG-SD 3.32Å; L152-M156 WeakPolarHBondContact O-CG 3.47Å; L152-M156 PolarHBondContact O-N 3.39Å; L152-T161 HydrophobicContact CD2-CG2 4.46Å; L152-F165 HydrophobicContact CD2-CE2 3.72Å; L152-F165 HydrophobicContact CD2-CZ 3.82Å
153A83.7Confident78.7Confident3 Ų369.1 Ų69.13%0.02537%0.368CS..Hα-helixtrans-63-36.2177.300000113.1M149 E150 A155 G157 W158 T161M149-A153 WeakPolarHBondContact O-CB 3.34Å; M149-A153 PolarHBondContact O-N 3.09Å; E150-A153 PolarHBondContact O-N 2.9Å; A153-A155 VanDerWaalsContact C-N 3.26Å; A153-A155 PolarHBondContact O-N 3.24Å; A153-G157 CarbonylContact O-C 3.47Å; A153-G157 WeakPolarHBondContact O-CA 3.15Å; A153-G157 PolarHBondContact O-N 2.89Å; A153-W158 HydrophobicContact CB-CD2 3.35Å; A153-W158 HydrophobicContact CB-CE3 3.36Å; A153-W158 HydrophobicContact CB-CG 3.95Å; A153-W158 HydrophobicContact CB-CH2 3.76Å; A153-W158 HydrophobicContact CB-CZ2 3.76Å; A153-W158 HydrophobicContact CB-CZ3 3.57Å; A153-T161 WeakPolarHBondContact CA-OG1 3.18Å; A153-T161 HydrophobicContact CB-CG2 4.31Å
154K82.7Confident79.5Confident137 Ų13766 Ų6660%0.59635%0.347SS*.Hα-helixtrans-63.8-32.3171.8-75.8168.7-174158.70112.3E150 D151 L152E150-K154 WeakPolarHBondContact O-CB 3.4Å; E150-K154 VanDerWaalsContact O-CG 3.28Å; E150-K154 WeakPolarHBondContact O-CG 3.49Å; E150-K154 PolarHBondContact O-N 3.34Å; E150-K154 VanDerWaalsContact OE1-CE 3.23Å; E150-K154 WeakPolarHBondContact OE1-CE 3.28Å; E150-K154 IonicContact OE1-NZ 3.6Å; E150-K154 PolarHBondContact OE1-NZ 3.38Å; D151-K154 PolarHBondContact O-N 3.08Å; L152-K154 VanDerWaalsContact C-N 3.32Å; L152-K154 PolarHBondContact O-N 2.97Å
155A82.9Confident79.8Confident86 Ų8663.8 Ų63.871%0.71133%0.331SS*.Hα-helixtrans-81.5-38.9-17900000113.8D151 L152 A153D151-A155 PolarHBondContact O-N 3.3Å; D151-A155 VanDerWaalsContact O-N 3.12Å; L152-A155 WeakPolarHBondContact O-CA 3.32Å; L152-A155 WeakPolarHBondContact O-CB 3.19Å; L152-A155 PolarHBondContact O-N 3.49Å; A153-A155 VanDerWaalsContact C-N 3.26Å; A153-A155 PolarHBondContact O-N 3.24Å
156M82.8Confident79.9Confident74 Ų7462.8 Ų62.837%0.36533%0.329SS..Hα-helixtrans-123.3-3.4-17272.4-164.3-8600115.7L152 V160 T164L152-M156 HydrophobicContact CD1-CG 4.34Å; L152-M156 HydrophobicContact CD1-SD 3.35Å; L152-M156 WeakPolarHBondContact CD1-SD 3.26Å; L152-M156 HydrophobicContact CD2-SD 4Å; L152-M156 HydrophobicContact CG-CG 4.25Å; L152-M156 HydrophobicContact CG-SD 3.45Å; L152-M156 WeakPolarHBondContact CG-SD 3.32Å; L152-M156 WeakPolarHBondContact O-CG 3.47Å; L152-M156 PolarHBondContact O-N 3.39Å; M156-V160 HydrophobicContact CE-CB 3.9Å; M156-V160 HydrophobicContact CE-CG1 3.32Å; M156-V160 HydrophobicContact CG-CB 4.38Å; M156-V160 WeakPolarHBondContact O-CG2 3.38Å; M156-T164 HydrophobicContact CE-CG2 3.89Å
157G85.1Confident79.3Confident15 Ų1564.3 Ų64.316%0.15534%0.335CS..  trans93.3146.4-177.500000113.3A153 K159 V160 T161A153-G157 CarbonylContact O-C 3.47Å; A153-G157 WeakPolarHBondContact O-CA 3.15Å; A153-G157 PolarHBondContact O-N 2.89Å; G157-K159 VanDerWaalsContact C-N 3.31Å; G157-K159 PolarHBondContact O-N 3.41Å; G157-V160 PolarHBondContact O-N 2.93Å; G157-T161 WeakPolarHBondContact O-CB 3.46Å; G157-T161 PolarHBondContact O-N 2.9Å; G157-T161 VanDerWaalsContact O-N 3.14Å; G157-T161 PolarHBondContact O-OG1 2.8Å
158W83.5Confident78.3Confident22 Ų2265.1 Ų65.18%0.08334%0.337CS..Hα-helixtrans-65.1-35.5-176.5-72.8101.4000112.5E131 W134 E135 V138 E150 A153 T161 Y162E131-W158 WeakPolarHBondContact OE2-CB 3.32Å; E131-W158 PolarHBondContact OE2-N 3.43Å; W134-W158 HydrophobicContact CB-CB 3.49Å; W134-W158 VanDerWaalsContact CB-CB 3.49Å; E135-W158 HydrophobicContact CB-CD2 3.71Å; E135-W158 HydrophobicContact CB-CE3 4.21Å; E135-W158 HydrophobicContact CB-CG 3.93Å; E135-W158 HydrophobicContact CB-CZ2 4.32Å; E135-W158 HydrophobicContact CG-CD2 4.03Å; E135-W158 HydrophobicContact CG-CE3 4.34Å; E135-W158 HydrophobicContact CG-CH2 4.08Å; E135-W158 HydrophobicContact CG-CZ2 3.74Å; E135-W158 HydrophobicContact CG-CZ3 4.36Å; V138-W158 HydrophobicContact CB-CE3 4.39Å; V138-W158 HydrophobicContact CG1-CZ3 4.37Å; V138-W158 HydrophobicContact CG2-CE3 4.35Å; E150-W158 HydrophobicContact CB-CH2 4.26Å; E150-W158 HydrophobicContact CG-CH2 3.95Å; E150-W158 HydrophobicContact CG-CZ2 4.06Å; A153-W158 HydrophobicContact CB-CD2 3.35Å; A153-W158 HydrophobicContact CB-CE3 3.36Å; A153-W158 HydrophobicContact CB-CG 3.95Å; A153-W158 HydrophobicContact CB-CH2 3.76Å; A153-W158 HydrophobicContact CB-CZ2 3.76Å; A153-W158 HydrophobicContact CB-CZ3 3.57Å; W158-T161 PolarHBondContact O-N 3.38Å; W158-Y162 PolarHBondContact O-N 3.2Å
159K83.3Confident76.8Confident75 Ų7567.7 Ų67.733%0.32635%0.351SS..Hα-helixtrans-63-46.2178.3-176173.5-176.71770112.1N129 W134 G157 Y162 F163N129-K159 PolarHBondContact OD1-NZ 2.94Å; W134-K159 HydrophobicContact CB-CB 4.46Å; W134-K159 HydrophobicContact CD2-CB 3.85Å; W134-K159 HydrophobicContact CD2-CG 3.89Å; W134-K159 HydrophobicContact CE3-CG 4.4Å; W134-K159 HydrophobicContact CG-CB 3.76Å; W134-K159 HydrophobicContact CG-CG 4.31Å; W134-K159 HydrophobicContact CH2-CG 4.37Å; W134-K159 HydrophobicContact CZ2-CD 4.01Å; W134-K159 HydrophobicContact CZ2-CG 3.87Å; G157-K159 VanDerWaalsContact C-N 3.31Å; G157-K159 PolarHBondContact O-N 3.41Å; K159-Y162 PolarHBondContact O-N 3.17Å; K159-F163 HydrophobicContact CG-CD2 4.29Å; K159-F163 HydrophobicContact CG-CE2 4.07Å; K159-F163 VanDerWaalsContact O-CD2 3.24Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 PolarHBondContact O-N 3.21Å
160V82.6Confident75.5Confident74 Ų7469.5 Ų69.545%0.44838%0.377SS..Hα-helixtrans-68.3-42.3-178.6-167.30000109.7M156 G157 Y162 F163 T164M156-V160 HydrophobicContact CE-CB 3.9Å; M156-V160 HydrophobicContact CE-CG1 3.32Å; M156-V160 HydrophobicContact CG-CB 4.38Å; M156-V160 WeakPolarHBondContact O-CG2 3.38Å; G157-V160 PolarHBondContact O-N 2.93Å; V160-Y162 VanDerWaalsContact C-N 3.3Å; V160-Y162 PolarHBondContact O-N 3.35Å; V160-F163 PolarHBondContact O-N 3.38Å; V160-T164 HydrophobicContact CG1-CG2 4.49Å; V160-T164 WeakPolarHBondContact O-CG2 3.35Å; V160-T164 PolarHBondContact O-N 3.19Å; V160-T164 PolarHBondContact O-OG1 3.05Å
161T82.8Confident73.7Confident1 Ų171.1 Ų71.11%0.00639%0.391CS..Hα-helixtrans-55.6-43.9175.4-53.50000111.9L152 A153 G157 W158 T164 F165L152-T161 HydrophobicContact CD2-CG2 4.46Å; A153-T161 WeakPolarHBondContact CA-OG1 3.18Å; A153-T161 HydrophobicContact CB-CG2 4.31Å; G157-T161 WeakPolarHBondContact O-CB 3.46Å; G157-T161 PolarHBondContact O-N 2.9Å; G157-T161 VanDerWaalsContact O-N 3.14Å; G157-T161 PolarHBondContact O-OG1 2.8Å; W158-T161 PolarHBondContact O-N 3.38Å; T161-T164 WeakPolarHBondContact CA-OG1 3.45Å; T161-T164 PolarHBondContact O-N 2.82Å; T161-T164 PolarHBondContact O-OG1 3.01Å; T161-F165 HydrophobicContact CG2-CD2 3.71Å; T161-F165 HydrophobicContact CG2-CE2 3.6Å; T161-F165 WeakPolarHBondContact O-CD2 3.47Å; T161-F165 PolarHBondContact O-N 3.42Å
162Y80.8Confident71.7Confident18 Ų1874.1 Ų74.17%0.07141%0.407CS..Hα-helixtrans-59.4-49.8176-178.1-94.1000112.3L111 W134 T137 V138 D141 W158 K159 V160 T164 F165 F166L111-Y162 HydrophobicContact CD1-CE1 4.06Å; L111-Y162 HydrophobicContact CD2-CE1 3.87Å; W134-Y162 HydrophobicContact CE3-CD1 4.17Å; W134-Y162 HydrophobicContact CE3-CG 4.05Å; W134-Y162 AromaticContact CZ3-CD1 3.62Å; W134-Y162 HydrophobicContact CZ3-CD1 3.62Å; W134-Y162 HydrophobicContact CZ3-CE1 4.08Å; W134-Y162 AromaticContact CZ3-CG 3.98Å; W134-Y162 HydrophobicContact CZ3-CG 3.98Å; T137-Y162 HydrophobicContact CG2-CD2 3.85Å; T137-Y162 HydrophobicContact CG2-CE2 3.5Å; V138-Y162 HydrophobicContact CG2-CD2 3.79Å; V138-Y162 HydrophobicContact CG2-CG 4.36Å; D141-Y162 HydrophobicContact CB-CE2 4.44Å; D141-Y162 PolarHBondContact OD2-OH 3.03Å; W158-Y162 PolarHBondContact O-N 3.2Å; K159-Y162 PolarHBondContact O-N 3.17Å; V160-Y162 VanDerWaalsContact C-N 3.3Å; V160-Y162 PolarHBondContact O-N 3.35Å; Y162-T164 VanDerWaalsContact C-N 3.31Å; Y162-T164 PolarHBondContact O-N 2.75Å; Y162-F165 PolarHBondContact O-N 3.14Å; Y162-F166 AromaticContact CD2-CD2 3.38Å; Y162-F166 HydrophobicContact CD2-CD2 3.38Å; Y162-F166 AromaticContact CD2-CE2 3.76Å; Y162-F166 HydrophobicContact CD2-CE2 3.76Å; Y162-F166 HydrophobicContact CD2-CG 4.19Å; Y162-F166 HydrophobicContact CE1-CB 4.41Å; Y162-F166 HydrophobicContact CE2-CB 4.35Å; Y162-F166 AromaticContact CE2-CD2 3.6Å; Y162-F166 HydrophobicContact CE2-CD2 3.6Å; Y162-F166 HydrophobicContact CE2-CE2 4.03Å; Y162-F166 AromaticContact CE2-CG 3.99Å; Y162-F166 HydrophobicContact CE2-CG 3.99Å; Y162-F166 AromaticContact CG-CD2 3.96Å; Y162-F166 HydrophobicContact CG-CD2 3.96Å; Y162-F166 WeakPolarHBondContact O-CB 3.5Å; Y162-F166 WeakPolarHBondContact O-CD2 3.34Å; Y162-F166 PolarHBondContact O-N 3.12Å
163F79.8Confident69.6Low70 Ų7079.3 Ų79.331%0.30743%0.429SS..Hα-helixtrans-67-31.3-179.7-75.1-69.8000113.1W134 K159 V160 H167W134-F163 HydrophobicContact CH2-CE2 4.01Å; W134-F163 HydrophobicContact CH2-CZ 4.18Å; W134-F163 HydrophobicContact CZ3-CE2 4.33Å; K159-F163 HydrophobicContact CG-CD2 4.29Å; K159-F163 HydrophobicContact CG-CE2 4.07Å; K159-F163 VanDerWaalsContact O-CD2 3.24Å; K159-F163 WeakPolarHBondContact O-CD2 3.49Å; K159-F163 PolarHBondContact O-N 3.21Å; V160-F163 PolarHBondContact O-N 3.38Å; F163-H167 HydrophobicContact CD1-CB 4.22Å; F163-H167 VanDerWaalsContact O-CB 3.28Å; F163-H167 WeakPolarHBondContact O-CB 3.22Å; F163-H167 PolarHBondContact O-N 2.99Å
164T79.3Confident67.5Low57 Ų5785.9 Ų85.935%0.3546%0.464SS..Hα-helixtrans-70.2-32.4177.249.30000113.5M156 V160 T161 Y162 N168M156-T164 HydrophobicContact CE-CG2 3.89Å; V160-T164 HydrophobicContact CG1-CG2 4.49Å; V160-T164 WeakPolarHBondContact O-CG2 3.35Å; V160-T164 PolarHBondContact O-N 3.19Å; V160-T164 PolarHBondContact O-OG1 3.05Å; T161-T164 WeakPolarHBondContact CA-OG1 3.45Å; T161-T164 PolarHBondContact O-N 2.82Å; T161-T164 PolarHBondContact O-OG1 3.01Å; Y162-T164 VanDerWaalsContact C-N 3.31Å; Y162-T164 PolarHBondContact O-N 2.75Å; T164-N168 VanDerWaalsContact O-CB 3.22Å; T164-N168 WeakPolarHBondContact O-CB 3.28Å
165F73.3Confident65.3Low89 Ų8985.7 Ų85.739%0.3947%0.47SS..Hα-helixtrans-93.3-36-179.7-73-67.3000113.6M149 L152 T161 Y162M149-F165 HydrophobicContact CE-CD1 4.27Å; M149-F165 HydrophobicContact CE-CD2 4.49Å; M149-F165 HydrophobicContact CE-CE1 4.33Å; M149-F165 HydrophobicContact CE-CG 4.37Å; M149-F165 HydrophobicContact CE-CZ 4.47Å; M149-F165 HydrophobicContact CG-CE2 3.99Å; M149-F165 HydrophobicContact CG-CZ 4.19Å; L152-F165 HydrophobicContact CD2-CE2 3.72Å; L152-F165 HydrophobicContact CD2-CZ 3.82Å; T161-F165 HydrophobicContact CG2-CD2 3.71Å; T161-F165 HydrophobicContact CG2-CE2 3.6Å; T161-F165 WeakPolarHBondContact O-CD2 3.47Å; T161-F165 PolarHBondContact O-N 3.42Å; Y162-F165 PolarHBondContact O-N 3.14Å
166F70.2Confident63.4Low67 Ų6790.2 Ų90.229%0.29448%0.476SS..Hα-helixtrans-103.6-2.2-172.2-64.1-80.6000114.4D141 C142 Y162D141-F166 HydrophobicContact CB-CE1 4.47Å; D141-F166 HydrophobicContact CB-CZ 4.43Å; C142-F166 HydrophobicContact CB-CZ 3.85Å; Y162-F166 AromaticContact CD2-CD2 3.38Å; Y162-F166 HydrophobicContact CD2-CD2 3.38Å; Y162-F166 AromaticContact CD2-CE2 3.76Å; Y162-F166 HydrophobicContact CD2-CE2 3.76Å; Y162-F166 HydrophobicContact CD2-CG 4.19Å; Y162-F166 HydrophobicContact CE1-CB 4.41Å; Y162-F166 HydrophobicContact CE2-CB 4.35Å; Y162-F166 AromaticContact CE2-CD2 3.6Å; Y162-F166 HydrophobicContact CE2-CD2 3.6Å; Y162-F166 HydrophobicContact CE2-CE2 4.03Å; Y162-F166 AromaticContact CE2-CG 3.99Å; Y162-F166 HydrophobicContact CE2-CG 3.99Å; Y162-F166 AromaticContact CG-CD2 3.96Å; Y162-F166 HydrophobicContact CG-CD2 3.96Å; Y162-F166 WeakPolarHBondContact O-CB 3.5Å; Y162-F166 WeakPolarHBondContact O-CD2 3.34Å; Y162-F166 PolarHBondContact O-N 3.12Å
167H62.9Low61.1Low126 Ų12693.3 Ų93.358%0.58349%0.494SS*.SBendtrans-128.11.2179.3-102.146.6000114.3F163F163-H167 HydrophobicContact CD1-CB 4.22Å; F163-H167 VanDerWaalsContact O-CB 3.28Å; F163-H167 WeakPolarHBondContact O-CB 3.22Å; F163-H167 PolarHBondContact O-N 2.99Å
168N54.3Low58.9Low101 Ų10195.7 Ų95.754%0.5452%0.518SS..G310 helixtrans-91.94.1-177.1-15021.5000114.5T164 G170T164-N168 VanDerWaalsContact O-CB 3.22Å; T164-N168 WeakPolarHBondContact O-CB 3.28Å; N168-G170 PolarHBondContact O-N 2.93Å
169D45Very low56.6Low160 Ų160101.5 Ų101.586%0.85655%0.551SS**G310 helixtrans-68-0.4173.5-72.6-17000113.6
170G46.8Very low54.3Low68 Ų68105.5 Ų105.570%0.70158%0.576SS**G310 helixtrans-90.5-10.3-177.600000116.3N168N168-G170 PolarHBondContact O-N 2.93Å
171T42.4Very low52.3Low96 Ų96108.4 Ų108.459%0.58959%0.594SS**SBendtrans-144.478.7-173.4450000112
172N41Very low50.3Low153 Ų153114.4 Ų114.482%0.81863%0.631SS**  trans-176.879.8143.9-89.3-26000110.4
173H36.1Very low48.3Very low174 Ų174118.8 Ų118.881%0.80666%0.664SS**  trans-106.189.7147.3-125.5-66.8000106.7D175H173-D175 IonicContact CE1-OD1 2.93Å; H173-D175 IonicContact ND1-OD1 3.01Å; H173-D175 PolarHBondContact ND1-OD1 3.02Å
174N39.4Very low46.6Very low141 Ų141125.6 Ų125.675%0.75469%0.693SS**  trans-94.692.2169-130.65.6000105.8H176N174-H176 VanDerWaalsContact C-N 3.34Å; N174-H176 PolarHBondContact O-N 3Å
175D36.6Very low44.5Very low133 Ų133126.7 Ų126.771%0.71172%0.716SS**  trans-75.192.8171.1-78.8-5.7000108.6H173 N177H173-D175 IonicContact CE1-OD1 2.93Å; H173-D175 IonicContact ND1-OD1 3.01Å; H173-D175 PolarHBondContact ND1-OD1 3.02Å; D175-N177 PolarHBondContact O-N 3.35Å
176H43.1Very low42.9Very low181 Ų181129.2 Ų129.284%0.83874%0.739SS**  trans-65.3109.7149.6-107.151.5000107.4N174N174-H176 VanDerWaalsContact C-N 3.34Å; N174-H176 PolarHBondContact O-N 3Å
177N35.3Very low41.3Very low139 Ų139138.8 Ų138.874%0.74379%0.785SS**  trans-124.498.4158.9-145.912.9000109.1D175D175-N177 PolarHBondContact O-N 3.35Å
178G39.1Very low40.2Very low65 Ų65139.5 Ų139.567%0.6780%0.795SS**  trans-73.4129.7165.300000109.1
179N34.7Very low39.4Very low143 Ų143141.5 Ų141.577%0.76581%0.808SS**  trans-121.791.1162.1-82.2-14.3000108
180D35.2Very low39.1Very low159 Ų159140.4 Ų140.485%0.8581%0.806SS**  trans-83.9114.1155.9-121-19.4000107
181T40.6Very low38.7Very low136 Ų136144.7 Ų144.783%0.83481%0.812SS**  trans-133.2113157.647.90000109.3
182T41.3Very low38.4Very low127 Ų127147.8 Ų147.878%0.77983%0.826SS**  trans-79.5140.9-179.4-17.90000111.6
183S38.8Very low38.3Very low109 Ų109147.4 Ų147.476%0.76283%0.826SS**  trans153.9106132-72.80000110.1
184K43.8Very low38.4Very low213 Ų213145.5 Ų145.593%0.92683%0.828SS**  66.7122.589.3-93.1-170.6176.7-179.90114.4
185G34.9Very low38.4Very low80 Ų80145.8 Ų145.883%0.82583%0.833SS**  trans156.887.5157.500000114.5
186T39.1Very low38.5Very low142 Ų142146.9 Ų146.987%0.87184%0.843SS**  trans-64.4138.8166.137.40000112.9
187E36.2Very low38.1Very low269 Ų269143.8 Ų143.8100%1.25784%0.844SS**  -157.70123.2-106.2179.9165.500109.4

Retrieved 187 of 187 residues in 63.7 ms (Link to these results)

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