A0A5K4F5T9_SCHMA Loading...

Actin-related protein 8

Actins are highly conserved proteins that are involved in various types of cell motility and are ubiquitously expressed in all eukaryotic cells.

AlphaFold DB , UniProt , Accession A0A5K4F5T9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 612 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
1M42.2Very low65.8Low198 Ų19890.9 Ų90.998%0.97546%0.455SS*.  0-53.50-69.5-169.3172.700115.2N3 Q4M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.89Å; M1-N3 VanDerWaalsContact O-N 3.15Å; M1-Q4 PolarHBondContact O-N 2.81Å
2R36.6Very low68.5Low236 Ų23683.3 Ų83.389%0.89142%0.417SS*.Hα-helixtrans-59.1-27.5-177-76.7-169.8-161.61746.2115.9
3N48.5Very low70.7Confident133 Ų13376.9 Ų76.971%0.71139%0.385SS*.Hα-helixtrans-86.1-9.3175.7-73.8-7.9000114M1 T6 L7M1-N3 VanDerWaalsContact C-N 3.28Å; M1-N3 PolarHBondContact O-N 2.89Å; M1-N3 VanDerWaalsContact O-N 3.15Å; N3-T6 PolarHBondContact O-OG1 3.01Å; N3-L7 WeakPolarHBondContact O-CD1 3.38Å; N3-L7 WeakPolarHBondContact O-CG 3.48Å
4Q50.6Low72.7Confident70 Ų7071.4 Ų71.433%0.32736%0.358SS..Hα-helixtrans-94.2-33.8-173.2-76164-3100112.5M1 T6 L7 A8M1-Q4 PolarHBondContact O-N 2.81Å; Q4-T6 PolarHBondContact O-N 3.38Å; Q4-L7 PolarHBondContact O-N 3.09Å; Q4-L7 VanDerWaalsContact O-N 3.16Å; Q4-A8 PolarHBondContact O-N 2.86Å
5S53.5Low74.4Confident70 Ų7067.1 Ų67.149%0.4934%0.336SS..Hα-helixtrans-59.3-38.8172.159.50000111.1L7 E9S5-L7 PolarHBondContact O-N 2.73Å; S5-E9 WeakPolarHBondContact O-CG 3.36Å; S5-E9 PolarHBondContact O-N 2.72Å
6T65.8Low75.8Confident70 Ų7064 Ų6443%0.42932%0.322SS..Hα-helixtrans-72.4-25.6178.258.60000113.4N3 Q4N3-T6 PolarHBondContact O-OG1 3.01Å; Q4-T6 PolarHBondContact O-N 3.38Å
7L71.7Confident76.9Confident44 Ų4461.4 Ų61.423%0.2331%0.314CS..Hα-helixtrans-70.5-49.8175.6-80.2166.1000111N3 Q4 S5 E9 N10 V11 R185N3-L7 WeakPolarHBondContact O-CD1 3.38Å; N3-L7 WeakPolarHBondContact O-CG 3.48Å; Q4-L7 PolarHBondContact O-N 3.09Å; Q4-L7 VanDerWaalsContact O-N 3.16Å; S5-L7 PolarHBondContact O-N 2.73Å; L7-E9 PolarHBondContact O-N 2.91Å; L7-N10 PolarHBondContact O-N 3.15Å; L7-N10 VanDerWaalsContact O-N 3.16Å; L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.99Å; L7-R185 VanDerWaalsContact CD2-NH1 3.34Å
8A79.7Confident77.8Confident20 Ų2058.6 Ų58.617%0.16530%0.302CS..Hα-helixtrans-61.2-31.8-177.600000112.7Q4 N10 V11 A26 V27 L581Q4-A8 PolarHBondContact O-N 2.86Å; A8-N10 PolarHBondContact O-N 3.35Å; A8-V11 PolarHBondContact O-N 3.44Å; A8-A26 HydrophobicContact CB-CB 4.43Å; A8-V27 HydrophobicContact CB-CG1 3.74Å; A8-L581 HydrophobicContact CB-CD1 4.38Å
9E85.2Confident78.5Confident95 Ų9555.7 Ų55.744%0.44429%0.287SS..Hα-helixtrans-58.5-33.4177.7-75.8171.5-171.900113.1S5 L7 R25 V27S5-E9 WeakPolarHBondContact O-CG 3.36Å; S5-E9 PolarHBondContact O-N 2.72Å; L7-E9 PolarHBondContact O-N 2.91Å; E9-R25 PolarHBondContact O-NE 3.37Å; E9-R25 PolarHBondContact O-NH2 2.83Å; E9-V27 HydrophobicContact CG-CG1 4.05Å
10N93.8Very high79.2Confident64 Ų6455.3 Ų55.334%0.34228%0.283SS..THydrogen-bonded Turntrans-107.418.2-178.2-65.5-33.5000112.8L7 A8 Y184 R185L7-N10 PolarHBondContact O-N 3.15Å; L7-N10 VanDerWaalsContact O-N 3.16Å; A8-N10 PolarHBondContact O-N 3.35Å; N10-Y184 HydrophobicContact CB-CD1 4.32Å; N10-Y184 CarbonylContact O-C 3.52Å; N10-Y184 VanDerWaalsContact O-CA 3.29Å; N10-Y184 WeakPolarHBondContact O-CA 3.5Å; N10-R185 PolarHBondContact O-N 2.94Å
11V96.4Very high80Confident0 Ų052.6 Ų52.60%027%0.27CS..EExtended strand (participates in β ladder)trans-108.9129.7172.4179.20000110L7 A8 R25 A26 R185 I187 L581 W590L7-V11 VanDerWaalsContact O-CG2 3.24Å; L7-V11 WeakPolarHBondContact O-CG2 3.48Å; L7-V11 PolarHBondContact O-N 2.99Å; A8-V11 PolarHBondContact O-N 3.44Å; V11-R25 WeakPolarHBondContact O-CA 3.39Å; V11-A26 HydrophobicContact CB-CB 3.95Å; V11-A26 HydrophobicContact CG1-CB 4.05Å; V11-A26 PolarHBondContact O-N 3.16Å; V11-R185 CarbonylContact C-O 3.58Å; V11-R185 WeakPolarHBondContact CA-O 3.38Å; V11-R185 HydrophobicContact CG2-CB 4.18Å; V11-I187 HydrophobicContact CG1-CD1 3.84Å; V11-I187 HydrophobicContact CG1-CG1 3.81Å; V11-L581 HydrophobicContact CB-CD1 4.12Å; V11-L581 HydrophobicContact CB-CD2 4.42Å; V11-L581 HydrophobicContact CG1-CD1 4.08Å; V11-L581 HydrophobicContact CG1-CD2 4.2Å; V11-L581 HydrophobicContact CG2-CD1 4.28Å; V11-L581 HydrophobicContact CG2-CD2 3.85Å; V11-W590 HydrophobicContact CG1-CH2 4.3Å; V11-W590 HydrophobicContact CG2-CH2 4.31Å
12V97.6Very high82.6Confident0 Ų044.5 Ų44.50%023%0.228CC..EExtended strand (participates in β ladder)trans-104.7135.7168.9178.90000108I14 I23 G24 L170 I176 Y184 R185 A186 I187 F212V12-I14 HydrophobicContact CG1-CD1 4.41Å; V12-I14 HydrophobicContact CG1-CG1 3.9Å; V12-I23 HydrophobicContact CG1-CG1 4.19Å; V12-G24 CarbonylContact C-O 3.54Å; V12-G24 WeakPolarHBondContact CA-O 3.44Å; V12-G24 WeakPolarHBondContact CG1-O 3.33Å; V12-L170 HydrophobicContact CG1-CD2 3.82Å; V12-L170 HydrophobicContact CG2-CD2 4.36Å; V12-I176 HydrophobicContact CG2-CD1 3.6Å; V12-Y184 HydrophobicContact CG2-CD1 4.01Å; V12-R185 PolarHBondContact N-O 2.9Å; V12-A186 CarbonylContact O-C 3.54Å; V12-A186 VanDerWaalsContact O-CA 3.29Å; V12-A186 WeakPolarHBondContact O-CA 3.31Å; V12-I187 PolarHBondContact O-N 3.09Å; V12-F212 HydrophobicContact CB-CE1 4.07Å; V12-F212 HydrophobicContact CB-CZ 4.32Å; V12-F212 HydrophobicContact CG2-CE1 4.06Å; V12-F212 HydrophobicContact CG2-CZ 4.42Å
13I98.1Very high85.5Confident0 Ų033.2 Ų33.20%019%0.186CC..EExtended strand (participates in β ladder)trans-103.6131.3170.6-61.6164.2000107.3I23 G24 A26 I187 V189 W574 A577 R578I13-I23 WeakPolarHBondContact O-CA 3.29Å; I13-G24 PolarHBondContact N-O 2.99Å; I13-G24 PolarHBondContact O-N 3.49Å; I13-A26 HydrophobicContact CD1-CB 3.92Å; I13-A26 HydrophobicContact CG1-CB 4.25Å; I13-I187 HydrophobicContact CG1-CB 4.09Å; I13-I187 HydrophobicContact CG1-CD1 4.17Å; I13-V189 HydrophobicContact CG2-CG2 3.98Å; I13-W574 HydrophobicContact CB-CE3 3.81Å; I13-W574 HydrophobicContact CB-CH2 3.9Å; I13-W574 HydrophobicContact CB-CZ3 3.38Å; I13-W574 HydrophobicContact CD1-CD2 4.45Å; I13-W574 HydrophobicContact CD1-CE3 4.33Å; I13-W574 HydrophobicContact CD1-CH2 4.39Å; I13-W574 HydrophobicContact CD1-CZ2 4.49Å; I13-W574 HydrophobicContact CD1-CZ3 4.36Å; I13-W574 HydrophobicContact CG1-CZ3 4.43Å; I13-W574 HydrophobicContact CG2-CE3 3.54Å; I13-W574 HydrophobicContact CG2-CZ3 3.61Å; I13-A577 HydrophobicContact CD1-CB 4.06Å; I13-A577 HydrophobicContact CG2-CB 4.14Å; I13-R578 HydrophobicContact CD1-CB 4.36Å; I13-R578 HydrophobicContact CD1-CG 3.36Å
14I98.4Very high87.7Confident0 Ų026.9 Ų26.90%015%0.152CC..EExtended strand (participates in β ladder)trans-124.6115.6178.5-54.5174.4000107V12 L21 I23 W166 A186 I187 L188 V189 L206 F212V12-I14 HydrophobicContact CG1-CD1 4.41Å; V12-I14 HydrophobicContact CG1-CG1 3.9Å; I14-L21 HydrophobicContact CG2-CD1 4.25Å; I14-I23 HydrophobicContact CD1-CD1 4.41Å; I14-I23 HydrophobicContact CG1-CD1 3.97Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; I14-W166 HydrophobicContact CG2-CD2 4.28Å; I14-W166 HydrophobicContact CG2-CE3 4.42Å; I14-W166 HydrophobicContact CG2-CH2 4.33Å; I14-W166 HydrophobicContact CG2-CZ2 4.23Å; I14-W166 HydrophobicContact CG2-CZ3 4.45Å; I14-A186 HydrophobicContact CD1-CB 4.35Å; I14-I187 PolarHBondContact N-O 3.1Å; I14-L188 WeakPolarHBondContact O-CA 3.41Å; I14-V189 PolarHBondContact O-N 2.8Å; I14-L206 HydrophobicContact CD1-CD2 3.46Å; I14-L206 VanDerWaalsContact CD1-CD2 3.46Å; I14-F212 HydrophobicContact CD1-CE2 4.29Å; I14-F212 HydrophobicContact CD1-CZ 4.27Å
15E97.5Very high89.9Confident6 Ų626.8 Ų26.83%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-123.389.6178.1-175.7173-17400108.9G17 R22 V189 S573E15-G17 PolarHBondContact O-N 2.8Å; E15-R22 HydrophobicContact CB-CB 3.99Å; E15-R22 PolarHBondContact N-O 2.97Å; E15-R22 PolarHBondContact O-N 2.93Å; E15-R22 IonicContact OE1-CZ 3.73Å; E15-R22 IonicContact OE1-NH1 2.58Å; E15-R22 PolarHBondContact OE1-NH1 3.45Å; E15-R22 IonicContact OE1-NH2 3.32Å; E15-R22 PolarHBondContact OE1-NH2 3.33Å; E15-R22 IonicContact OE2-CZ 3.7Å; E15-R22 IonicContact OE2-NE 3.36Å; E15-R22 IonicContact OE2-NH1 2.76Å; E15-R22 PolarHBondContact OE2-NH1 3.07Å; E15-R22 IonicContact OE2-NH2 3.26Å; E15-R22 PolarHBondContact OE2-NH2 3.15Å; E15-V189 HydrophobicContact CB-CB 3.91Å; E15-V189 HydrophobicContact CB-CG1 4.49Å; E15-V189 HydrophobicContact CB-CG2 4.5Å; E15-V189 HydrophobicContact CG-CB 3.85Å; E15-V189 HydrophobicContact CG-CG1 3.92Å; E15-S573 WeakPolarHBondContact OE1-CB 3.5Å; E15-S573 PolarHBondContact OE1-OG 2.81Å; E15-S573 PolarHBondContact OE2-OG 2.93Å
16P97.2Very high91.8Very high18 Ų1823.7 Ų23.712%0.11713%0.127CC..EExtended strand (participates in β ladder)trans-78.7121.8-176.933.2-34.3000110.7L21 M144 W166 L188 V189P16-L21 HydrophobicContact CB-CD1 4.38Å; P16-M144 HydrophobicContact CB-SD 3.7Å; P16-M144 HydrophobicContact CG-SD 4.33Å; P16-W166 HydrophobicContact CB-CZ2 3.79Å; P16-W166 HydrophobicContact CG-CH2 4.47Å; P16-W166 HydrophobicContact CG-CZ2 4.04Å; P16-L188 HydrophobicContact CG-CD1 4.14Å; P16-V189 WeakPolarHBondContact CD-O 3.42Å
17G94.3Very high93.1Very high19 Ų1923.6 Ų23.620%0.19613%0.126CC..  trans-107.6169.6172.600000112.4E15 F19 H20 H36E15-G17 PolarHBondContact O-N 2.8Å; G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 2.82Å; G17-H20 WeakPolarHBondContact CA-O 3.16Å; G17-H20 PolarHBondContact N-O 2.76Å; G17-H36 PolarHBondContact O-ND1 2.79Å
18S92.8Very high94.1Very high12 Ų1223.9 Ų23.98%0.08413%0.126CC..SBendtrans-69.3-26.6178-55.80000114Y146 G147 Q241S18-Y146 PolarHBondContact OG-N 3.47Å; S18-Y146 VanDerWaalsContact OG-N 3.11Å; S18-G147 PolarHBondContact OG-N 2.94Å; S18-Q241 VanDerWaalsContact CB-OE1 3.23Å
19F92.3Very high94.6Very high4 Ų428.8 Ų28.82%0.01815%0.148CC..SBendtrans-119.2-44.9176.9-169.8-81.4000112.2G17 P35 H36 I53 W142 E240 R303G17-F19 VanDerWaalsContact C-N 3.28Å; G17-F19 PolarHBondContact O-N 2.82Å; F19-P35 CarbonylContact O-C 3.48Å; F19-P35 WeakPolarHBondContact O-CA 3.12Å; F19-H36 PolarHBondContact O-N 3.41Å; F19-I53 HydrophobicContact CE2-CG2 3.6Å; F19-I53 HydrophobicContact CZ-CG2 4.2Å; F19-W142 AromaticContact CD2-CH2 3.66Å; F19-W142 HydrophobicContact CD2-CH2 3.66Å; F19-W142 HydrophobicContact CD2-CZ2 4.39Å; F19-W142 AromaticContact CD2-CZ3 3.83Å; F19-W142 HydrophobicContact CD2-CZ3 3.83Å; F19-W142 HydrophobicContact CE1-CH2 4.47Å; F19-W142 AromaticContact CE2-CH2 3.44Å; F19-W142 HydrophobicContact CE2-CH2 3.44Å; F19-W142 VanDerWaalsContact CE2-CH2 3.44Å; F19-W142 HydrophobicContact CE2-CZ2 4.04Å; F19-W142 HydrophobicContact CE2-CZ3 4.09Å; F19-W142 HydrophobicContact CG-CH2 4.28Å; F19-W142 HydrophobicContact CG-CZ3 4.11Å; F19-W142 AromaticContact CZ-CH2 3.88Å; F19-W142 HydrophobicContact CZ-CH2 3.88Å; F19-W142 WeakPolarHBondContact O-CZ3 3.15Å; F19-E240 HydrophobicContact CB-CB 3.6Å; F19-E240 HydrophobicContact CB-CG 3.65Å; F19-E240 HydrophobicContact CD2-CG 3.87Å; F19-E240 HydrophobicContact CG-CB 4.22Å; F19-E240 HydrophobicContact CG-CG 3.77Å; F19-R303 VanDerWaalsContact CZ-NH2 3.35Å
20H92.1Very high95Very high46 Ų4627.7 Ų27.721%0.21315%0.145CC..EExtended strand (participates in β ladder)trans-105.9131.4179.8-64.8103.3000111.1G17 F34G17-H20 WeakPolarHBondContact CA-O 3.16Å; G17-H20 PolarHBondContact N-O 2.76Å; H20-F34 CarbonylContact C-O 3.57Å; H20-F34 VanDerWaalsContact CA-O 3.29Å; H20-F34 WeakPolarHBondContact CA-O 3.1Å
21L95.9Very high95Very high0 Ų025 Ų250%013%0.131CC..EExtended strand (participates in β ladder)trans-88.9122.2161.1174.162.7000107.7I14 P16 I23 R33 F34 H36 L126 I165 A169I14-L21 HydrophobicContact CG2-CD1 4.25Å; P16-L21 HydrophobicContact CB-CD1 4.38Å; L21-I23 HydrophobicContact CD1-CB 4.47Å; L21-I23 HydrophobicContact CD2-CG2 4.18Å; L21-I23 HydrophobicContact CG-CB 4.26Å; L21-I23 HydrophobicContact CG-CG2 4.12Å; L21-R33 WeakPolarHBondContact O-CA 3.38Å; L21-F34 PolarHBondContact N-O 3Å; L21-F34 PolarHBondContact O-N 3.03Å; L21-H36 HydrophobicContact CB-CB 4.05Å; L21-L126 HydrophobicContact CD2-CD2 4.03Å; L21-I165 HydrophobicContact CD2-CG2 3.88Å; L21-A169 HydrophobicContact CD2-CB 4.12Å
22R95.9Very high94.9Very high27 Ų2728.2 Ų28.210%0.10215%0.145CC..EExtended strand (participates in β ladder)trans-101.6122.1168-83170.5-70.2164.911.2108.3E15 P31 K32 R33 G570 S573E15-R22 HydrophobicContact CB-CB 3.99Å; E15-R22 PolarHBondContact N-O 2.97Å; E15-R22 PolarHBondContact O-N 2.93Å; E15-R22 IonicContact OE1-CZ 3.73Å; E15-R22 IonicContact OE1-NH1 2.58Å; E15-R22 PolarHBondContact OE1-NH1 3.45Å; E15-R22 IonicContact OE1-NH2 3.32Å; E15-R22 PolarHBondContact OE1-NH2 3.33Å; E15-R22 IonicContact OE2-CZ 3.7Å; E15-R22 IonicContact OE2-NE 3.36Å; E15-R22 IonicContact OE2-NH1 2.76Å; E15-R22 PolarHBondContact OE2-NH1 3.07Å; E15-R22 IonicContact OE2-NH2 3.26Å; E15-R22 PolarHBondContact OE2-NH2 3.15Å; R22-P31 HydrophobicContact CB-CB 3.97Å; R22-P31 HydrophobicContact CB-CG 4.44Å; R22-P31 HydrophobicContact CG-CB 4Å; R22-P31 HydrophobicContact CG-CG 3.99Å; R22-K32 WeakPolarHBondContact CA-O 3.38Å; R22-R33 HydrophobicContact CG-CG 3.92Å; R22-G570 PolarHBondContact NH1-O 3.05Å; R22-S573 PolarHBondContact NH1-OG 3.45Å
23I97.5Very high94.6Very high0 Ų033.3 Ų33.30%016%0.164CC..EExtended strand (participates in β ladder)trans-151.2146.7-176.1-170.3166.5000110.9V12 I13 I14 L21 K32 F34 A169 L170 V174V12-I23 HydrophobicContact CG1-CG1 4.19Å; I13-I23 WeakPolarHBondContact O-CA 3.29Å; I14-I23 HydrophobicContact CD1-CD1 4.41Å; I14-I23 HydrophobicContact CG1-CD1 3.97Å; I14-I23 HydrophobicContact CG1-CG1 4.08Å; L21-I23 HydrophobicContact CD1-CB 4.47Å; L21-I23 HydrophobicContact CD2-CG2 4.18Å; L21-I23 HydrophobicContact CG-CB 4.26Å; L21-I23 HydrophobicContact CG-CG2 4.12Å; I23-K32 PolarHBondContact N-O 2.98Å; I23-K32 WeakPolarHBondContact O-CA 3.22Å; I23-K32 WeakPolarHBondContact O-CB 3.46Å; I23-K32 PolarHBondContact O-N 3.31Å; I23-F34 HydrophobicContact CG2-CD2 4.04Å; I23-F34 HydrophobicContact CG2-CE2 4.03Å; I23-A169 HydrophobicContact CD1-CB 4.06Å; I23-A169 HydrophobicContact CG2-CB 3.96Å; I23-L170 HydrophobicContact CD1-CD2 3.85Å; I23-L170 HydrophobicContact CD1-CG 3.97Å; I23-L170 HydrophobicContact CG1-CD2 4.47Å; I23-V174 HydrophobicContact CG1-CG2 4.34Å
24G96.5Very high94.4Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans167.9-175.7176.100000112.3V12 I13 E28V12-G24 CarbonylContact C-O 3.54Å; V12-G24 WeakPolarHBondContact CA-O 3.44Å; V12-G24 WeakPolarHBondContact CG1-O 3.33Å; I13-G24 PolarHBondContact N-O 2.99Å; I13-G24 PolarHBondContact O-N 3.49Å; G24-E28 VanDerWaalsContact CA-OE2 3.26Å; G24-E28 WeakPolarHBondContact CA-OE2 3.2Å
25R95.6Very high94.1Very high68 Ų6834 Ų3426%0.25717%0.167SC..EExtended strand (participates in β ladder)trans-84.2144.5176.5-54.5178.483169.44.9109.4E9 V11 V27 E28 V174 I176 Y184E9-R25 PolarHBondContact O-NE 3.37Å; E9-R25 PolarHBondContact O-NH2 2.83Å; V11-R25 WeakPolarHBondContact O-CA 3.39Å; R25-V27 HydrophobicContact CB-CG2 3.78Å; R25-V27 PolarHBondContact O-N 2.72Å; R25-V27 VanDerWaalsContact O-N 3.07Å; R25-E28 HydrophobicContact CB-CG 4.21Å; R25-E28 PolarHBondContact N-OE2 2.87Å; R25-E28 WeakPolarHBondContact O-CB 3.15Å; R25-E28 PolarHBondContact O-N 2.77Å; R25-V174 HydrophobicContact CG-CG1 3.66Å; R25-I176 HydrophobicContact CG-CD1 4.29Å; R25-Y184 PolarHBondContact NH2-OH 2.98Å
26A94.4Very high93.9Very high4 Ų433.7 Ų33.73%0.03317%0.166CC..THydrogen-bonded Turntrans-64.5-16.5179.900000113.7A8 V11 I13 E28 R578 L581A8-A26 HydrophobicContact CB-CB 4.43Å; V11-A26 HydrophobicContact CB-CB 3.95Å; V11-A26 HydrophobicContact CG1-CB 4.05Å; V11-A26 PolarHBondContact O-N 3.16Å; I13-A26 HydrophobicContact CD1-CB 3.92Å; I13-A26 HydrophobicContact CG1-CB 4.25Å; A26-E28 VanDerWaalsContact C-N 3.33Å; A26-R578 HydrophobicContact CB-CG 4.45Å; A26-R578 PolarHBondContact O-NE 2.78Å; A26-L581 HydrophobicContact CB-CD1 3.39Å
27V92.9Very high93.7Very high69 Ų6932.8 Ų32.842%0.41816%0.16SC..THydrogen-bonded Turntrans-71.6-25.8170.6-66.10000113.1A8 E9 R25 R578A8-V27 HydrophobicContact CB-CG1 3.74Å; E9-V27 HydrophobicContact CG-CG1 4.05Å; R25-V27 HydrophobicContact CB-CG2 3.78Å; R25-V27 PolarHBondContact O-N 2.72Å; R25-V27 VanDerWaalsContact O-N 3.07Å; V27-R578 PolarHBondContact O-NH2 3.43Å
28E91.9Very high93.6Very high49 Ų4931.9 Ų31.923%0.22915%0.151CC..SBendtrans-72.1135.2-179.2-62.8173.1153.300109.9G24 R25 A26 K32 R578G24-E28 VanDerWaalsContact CA-OE2 3.26Å; G24-E28 WeakPolarHBondContact CA-OE2 3.2Å; R25-E28 HydrophobicContact CB-CG 4.21Å; R25-E28 PolarHBondContact N-OE2 2.87Å; R25-E28 WeakPolarHBondContact O-CB 3.15Å; R25-E28 PolarHBondContact O-N 2.77Å; A26-E28 VanDerWaalsContact C-N 3.33Å; E28-K32 VanDerWaalsContact OE1-CE 3.29Å; E28-K32 WeakPolarHBondContact OE1-CE 3.21Å; E28-K32 IonicContact OE1-NZ 3.7Å; E28-R578 WeakPolarHBondContact O-CD 3.5Å; E28-R578 PolarHBondContact O-NE 3.45Å; E28-R578 PolarHBondContact O-NH2 2.86Å
29I90.9Very high93.5Very high124 Ų12431.3 Ų31.364%0.63615%0.147SC*.SBendtrans-65.6-46.9-177.3-63.5171.8000110.4W574 R578I29-W574 PolarHBondContact O-NE1 3.39Å; I29-W574 VanDerWaalsContact O-NE1 3.08Å; I29-R578 PolarHBondContact O-NH1 3.33Å
30L92Very high93.4Very high71 Ų7133.2 Ų33.237%0.37215%0.154SC..SBendtrans-110.9147.4-178.1-58.6178.3000110.8E568L30-E568 WeakPolarHBondContact CD2-OE2 2.95Å
31P94.7Very high93.2Very high8 Ų836 Ų365%0.05217%0.165CC..  trans-70.7150.2171.927.8-29.7000111.2R22 R33 D571 W574R22-P31 HydrophobicContact CB-CB 3.97Å; R22-P31 HydrophobicContact CB-CG 4.44Å; R22-P31 HydrophobicContact CG-CB 4Å; R22-P31 HydrophobicContact CG-CG 3.99Å; P31-R33 HydrophobicContact CG-CG 4.5Å; P31-D571 VanDerWaalsContact CD-CG 3.44Å; P31-D571 WeakPolarHBondContact CD-OD2 3.1Å; P31-D571 WeakPolarHBondContact CG-OD1 3.05Å; P31-W574 HydrophobicContact CB-CD2 3.61Å; P31-W574 HydrophobicContact CB-CE3 3.57Å; P31-W574 HydrophobicContact CB-CG 4.1Å; P31-W574 HydrophobicContact CB-CH2 4.2Å; P31-W574 HydrophobicContact CB-CZ2 4.27Å; P31-W574 HydrophobicContact CB-CZ3 3.83Å; P31-W574 HydrophobicContact CG-CB 4.26Å; P31-W574 HydrophobicContact CG-CD2 4.05Å; P31-W574 HydrophobicContact CG-CE3 4.37Å; P31-W574 HydrophobicContact CG-CG 3.99Å
32K94.3Very high92.3Very high68 Ų6839 Ų3930%0.29619%0.185SC..EExtended strand (participates in β ladder)trans-76.4131.4161.7-49.7-169.1-177.4-156.80108.4R22 I23 E28 F34 H173R22-K32 WeakPolarHBondContact CA-O 3.38Å; I23-K32 PolarHBondContact N-O 2.98Å; I23-K32 WeakPolarHBondContact O-CA 3.22Å; I23-K32 WeakPolarHBondContact O-CB 3.46Å; I23-K32 PolarHBondContact O-N 3.31Å; E28-K32 VanDerWaalsContact OE1-CE 3.29Å; E28-K32 WeakPolarHBondContact OE1-CE 3.21Å; E28-K32 IonicContact OE1-NZ 3.7Å; K32-F34 HydrophobicContact CB-CD2 4.44Å; K32-F34 HydrophobicContact CB-CE2 3.51Å; K32-F34 HydrophobicContact CB-CZ 3.81Å; K32-F34 HydrophobicContact CD-CZ 4.5Å; K32-H173 HydrophobicContact CD-CB 4.43Å; K32-H173 PolarHBondContact NZ-O 3.38Å
33R92.3Very high91.4Very high106 Ų10645.5 Ų45.540%0.421%0.214SC..EExtended strand (participates in β ladder)trans-113.7128.3-176.8-62.2-175.9-173.3101.7-26.8110L21 R22 P31 D571L21-R33 WeakPolarHBondContact O-CA 3.38Å; R22-R33 HydrophobicContact CG-CG 3.92Å; P31-R33 HydrophobicContact CG-CG 4.5Å; R33-D571 IonicContact CZ-OD1 3.11Å; R33-D571 IonicContact CZ-OD2 2.92Å; R33-D571 VanDerWaalsContact CZ-OD2 3.32Å; R33-D571 IonicContact NE-OD1 3.75Å; R33-D571 PolarHBondContact NE-OD1 3.04Å; R33-D571 IonicContact NH1-OD2 3.18Å; R33-D571 IonicContact NH2-OD1 2.7Å; R33-D571 PolarHBondContact NH2-OD1 3.32Å; R33-D571 IonicContact NH2-OD2 2.97Å; R33-D571 PolarHBondContact NH2-OD2 3.37Å
34F93Very high90.4Very high14 Ų1451.1 Ų51.16%0.06125%0.25CS..EExtended strand (participates in β ladder)trans-135.1153.9178.6-59.3-69.5000110.2H20 L21 I23 K32 H36 L126 H173H20-F34 CarbonylContact C-O 3.57Å; H20-F34 VanDerWaalsContact CA-O 3.29Å; H20-F34 WeakPolarHBondContact CA-O 3.1Å; L21-F34 PolarHBondContact N-O 3Å; L21-F34 PolarHBondContact O-N 3.03Å; I23-F34 HydrophobicContact CG2-CD2 4.04Å; I23-F34 HydrophobicContact CG2-CE2 4.03Å; K32-F34 HydrophobicContact CB-CD2 4.44Å; K32-F34 HydrophobicContact CB-CE2 3.51Å; K32-F34 HydrophobicContact CB-CZ 3.81Å; K32-F34 HydrophobicContact CD-CZ 4.5Å; F34-H36 PolarHBondContact O-N 3.38Å; F34-L126 HydrophobicContact CB-CB 4.04Å; F34-L126 HydrophobicContact CB-CD1 4.45Å; F34-L126 HydrophobicContact CB-CD2 3.7Å; F34-L126 HydrophobicContact CB-CG 4.27Å; F34-L126 HydrophobicContact CD1-CB 4.35Å; F34-L126 HydrophobicContact CD1-CD1 4.37Å; F34-L126 HydrophobicContact CD2-CD1 4.23Å; F34-L126 HydrophobicContact CD2-CD2 4.49Å; F34-L126 HydrophobicContact CG-CB 4.29Å; F34-L126 HydrophobicContact CG-CD1 4.08Å; F34-L126 HydrophobicContact CG-CD2 4.18Å; F34-L126 HydrophobicContact CG-CG 4.41Å; F34-H173 HydrophobicContact CE1-CB 4.34Å; F34-H173 AromaticContact CE1-CD2 3.99Å; F34-H173 AromaticContact CE1-CG 3.79Å; F34-H173 AromaticContact CE1-ND1 3.81Å; F34-H173 HydrophobicContact CE2-CB 3.94Å; F34-H173 HydrophobicContact CZ-CB 3.47Å; F34-H173 VanDerWaalsContact CZ-CB 3.47Å; F34-H173 AromaticContact CZ-CD2 3.85Å; F34-H173 AromaticContact CZ-CG 3.4Å; F34-H173 VanDerWaalsContact CZ-CG 3.4Å; F34-H173 AromaticContact CZ-ND1 3.8Å
35P91.9Very high89.2Confident0 Ų059.3 Ų59.30%029%0.294CS..EExtended strand (participates in β ladder)trans-63.4129.516629.5-32.5000109.1F19 C37 F111 N127 F130 W142F19-P35 CarbonylContact O-C 3.48Å; F19-P35 WeakPolarHBondContact O-CA 3.12Å; P35-C37 PolarHBondContact O-N 2.92Å; P35-F111 HydrophobicContact CG-CE1 4.48Å; P35-N127 WeakPolarHBondContact CD-OD1 3.32Å; P35-F130 HydrophobicContact CB-CD2 4.36Å; P35-F130 HydrophobicContact CB-CE2 3.64Å; P35-F130 HydrophobicContact CG-CD2 4.03Å; P35-F130 HydrophobicContact CG-CE2 3.82Å; P35-W142 HydrophobicContact CB-CH2 4.22Å; P35-W142 HydrophobicContact CB-CZ3 4.37Å
36H94.6Very high88Confident0 Ų060.2 Ų60.20%031%0.307CS..  trans-83.557.1-176.4-162.1-164.6000110.8G17 F19 L21 F34 P143 M144 L162 W166G17-H36 PolarHBondContact O-ND1 2.79Å; F19-H36 PolarHBondContact O-N 3.41Å; L21-H36 HydrophobicContact CB-CB 4.05Å; F34-H36 PolarHBondContact O-N 3.38Å; H36-P143 VanDerWaalsContact O-CD 3.31Å; H36-P143 WeakPolarHBondContact O-CD 3.35Å; H36-M144 VanDerWaalsContact CE1-SD 3.53Å; H36-L162 VanDerWaalsContact CE1-CD2 3.49Å; H36-L162 WeakPolarHBondContact CE1-CD2 3.44Å; H36-L162 VanDerWaalsContact NE2-CD2 3.3Å; H36-L162 WeakPolarHBondContact NE2-CD2 3.49Å; H36-W166 AromaticContact CE1-NE1 3.9Å; H36-W166 AromaticContact NE2-CD1 3.94Å; H36-W166 AromaticContact NE2-NE1 3.12Å; H36-W166 PolarHBondContact NE2-NE1 2.73Å; H36-W166 VanDerWaalsContact NE2-NE1 3.12Å
37C92.1Very high86.5Confident0 Ų065 Ų650%034%0.338CS..  trans-133.4162.2-175.964.30000112.4P35 L126 F130 I140 N141 W142P35-C37 PolarHBondContact O-N 2.92Å; C37-L126 PolarHBondContact O-N 2.84Å; C37-F130 VanDerWaalsContact SG-CE2 3.54Å; C37-I140 HydrophobicContact CB-CG2 4.05Å; C37-N141 VanDerWaalsContact CA-O 3.27Å; C37-N141 WeakPolarHBondContact CA-O 3.39Å; C37-N141 WeakPolarHBondContact CB-O 3.34Å; C37-W142 HydrophobicContact CB-CD2 3.74Å; C37-W142 HydrophobicContact CB-CE3 3.68Å; C37-W142 HydrophobicContact CB-CG 4.39Å; C37-W142 HydrophobicContact CB-CH2 4.03Å; C37-W142 HydrophobicContact CB-CZ2 4.11Å; C37-W142 HydrophobicContact CB-CZ3 3.81Å
38I92.8Very high85Confident0 Ų066.6 Ų66.60%035%0.35CS..EExtended strand (participates in β ladder)trans-138.2139.9175.4-170.6168.2000109.6R40 F123 Y124 A125 I140 N141 D161 D164 I165I38-R40 HydrophobicContact CG1-CG 4.4Å; I38-F123 HydrophobicContact CD1-CB 3.97Å; I38-F123 HydrophobicContact CD1-CD2 3.64Å; I38-F123 HydrophobicContact CD1-CE2 4.35Å; I38-F123 HydrophobicContact CD1-CG 3.91Å; I38-F123 HydrophobicContact CG1-CB 4.07Å; I38-F123 HydrophobicContact CG1-CD2 4.05Å; I38-F123 HydrophobicContact CG1-CG 4.4Å; I38-Y124 CarbonylContact C-O 3.58Å; I38-Y124 WeakPolarHBondContact CA-O 3.42Å; I38-Y124 WeakPolarHBondContact CG1-O 3.47Å; I38-A125 HydrophobicContact CG1-CB 4.39Å; I38-I140 CarbonylContact O-C 3.55Å; I38-I140 WeakPolarHBondContact O-CA 3.32Å; I38-N141 HydrophobicContact CG2-CB 3.98Å; I38-N141 PolarHBondContact N-O 3.01Å; I38-N141 PolarHBondContact O-N 2.65Å; I38-D161 HydrophobicContact CG2-CB 3.82Å; I38-D164 HydrophobicContact CD1-CB 3.77Å; I38-I165 HydrophobicContact CB-CD1 3.98Å; I38-I165 HydrophobicContact CB-CG1 3.87Å; I38-I165 HydrophobicContact CD1-CG1 4.38Å; I38-I165 HydrophobicContact CG2-CD1 4.25Å
39A90.9Very high83.6Confident0 Ų068 Ų680%036%0.364CS..EExtended strand (participates in β ladder)trans-104.6123.1172.500000109.4F123 Y124 A129 H139 I140A39-F123 CarbonylContact O-C 3.59Å; A39-F123 WeakPolarHBondContact O-CA 3.48Å; A39-F123 WeakPolarHBondContact O-CB 3.1Å; A39-Y124 PolarHBondContact N-O 3.28Å; A39-Y124 PolarHBondContact O-N 2.78Å; A39-A129 HydrophobicContact CB-CB 3.92Å; A39-A129 WeakPolarHBondContact CB-O 3.08Å; A39-H139 CarbonylContact C-O 3.56Å; A39-H139 VanDerWaalsContact CA-O 3.27Å; A39-H139 WeakPolarHBondContact CA-O 3.37Å; A39-I140 HydrophobicContact CB-CG1 4.24Å
40R90Very high82.4Confident44 Ų4464.4 Ų64.417%0.16635%0.348CS..EExtended strand (participates in β ladder)trans-116.6151.2177.5-68-164.9-178.2-82.7-1.7111.6I38 F123 Y138 H139 D161 D164I38-R40 HydrophobicContact CG1-CG 4.4Å; R40-F123 HydrophobicContact CG-CB 4.07Å; R40-Y138 WeakPolarHBondContact O-CA 3.47Å; R40-Y138 WeakPolarHBondContact O-CB 3.24Å; R40-H139 PolarHBondContact N-O 3.1Å; R40-H139 PolarHBondContact O-N 2.71Å; R40-D161 IonicContact CZ-OD1 3.86Å; R40-D161 IonicContact NE-OD1 2.66Å; R40-D161 PolarHBondContact NE-OD1 3.29Å; R40-D161 IonicContact NH2-OD1 3.78Å; R40-D161 PolarHBondContact NH2-OD1 2.95Å; R40-D164 IonicContact CZ-OD2 3.55Å; R40-D164 IonicContact NH1-OD2 2.62Å; R40-D164 PolarHBondContact NH1-OD2 3.47Å; R40-D164 IonicContact NH2-OD2 3.25Å; R40-D164 PolarHBondContact NH2-OD2 2.93Å
41K86.5Confident81.5Confident104 Ų10462.8 Ų62.845%0.45234%0.338SS..PPolyproline II helixtrans-54.8134.3171.8-73.9-178.1178.9159.90109.8K43 G120 Q121 E122 Y138K41-K43 PolarHBondContact O-N 3.27Å; K41-G120 PolarHBondContact NZ-O 3.44Å; K41-Q121 WeakPolarHBondContact CE-O 3.34Å; K41-Q121 PolarHBondContact NZ-O 2.8Å; K41-E122 PolarHBondContact N-O 3.25Å; K41-Y138 HydrophobicContact CB-CE1 4.39Å; K41-Y138 HydrophobicContact CD-CE1 4.47Å; K41-Y138 WeakPolarHBondContact CE-OH 3.45Å; K41-Y138 HydrophobicContact CG-CD1 4.07Å; K41-Y138 HydrophobicContact CG-CE1 3.42Å; K41-Y138 VanDerWaalsContact CG-CE1 3.42Å; K41-Y138 HydrophobicContact CG-CE2 4.22Å; K41-Y138 VanDerWaalsContact N-CD1 3.33Å
42P77.6Confident80.7Confident63 Ų6364.6 Ų64.641%0.40935%0.35SS..PPolyproline II helixtrans-60.7140.7175.925.3-32.5000109.6
43K77.8Confident80.1Confident164 Ų16461.6 Ų61.671%0.71334%0.337SS*.PPolyproline II helixtrans-64.3139.5172.2-69.1179.3-178174.30108.7K41 N45 V46K41-K43 PolarHBondContact O-N 3.27Å; K43-N45 PolarHBondContact O-N 3.11Å; K43-V46 HydrophobicContact CB-CB 4.35Å; K43-V46 HydrophobicContact CB-CG2 3.91Å; K43-V46 PolarHBondContact O-N 2.84Å
44P75Confident79.7Confident117 Ų11756.6 Ų56.676%0.7632%0.318SS*.THydrogen-bonded Turntrans-55.7135.217522.5-31.4000109.8V46P44-V46 VanDerWaalsContact C-N 3.33Å; P44-V46 PolarHBondContact O-N 2.82Å
45N72.5Confident79Confident173 Ų17357.9 Ų57.993%0.92533%0.329SS*.THydrogen-bonded Turntrans70.68.3-178.9-52.1-30000117.4K43K43-N45 PolarHBondContact O-N 3.11Å
46V69.6Low78.7Confident86 Ų8658.7 Ų58.752%0.52133%0.332SS..SBendtrans-102.1124.9170.1-176.20000108.3K43 P44K43-V46 HydrophobicContact CB-CB 4.35Å; K43-V46 HydrophobicContact CB-CG2 3.91Å; K43-V46 PolarHBondContact O-N 2.84Å; P44-V46 VanDerWaalsContact C-N 3.33Å; P44-V46 PolarHBondContact O-N 2.82Å
47P63Low78.3Confident106 Ų10666.7 Ų66.769%0.68837%0.369SS*.  trans-58.7142.5175.224.4-32.3000109.6C49P47-C49 PolarHBondContact O-N 2.94Å
48P61.4Low78Confident102 Ų10269 Ų6966%0.66238%0.379SS*.  trans-60.5111174.225.2-31.6000108.2
49C62.3Low77.4Confident77 Ų7769.7 Ų69.752%0.5239%0.385SS..  trans-85.1139.4162-171.50000106.2P47 H139P47-C49 PolarHBondContact O-N 2.94Å; C49-H139 WeakPolarHBondContact CB-NE2 3.41Å; C49-H139 PolarHBondContact O-CD2 3.32Å; C49-H139 PolarHBondContact O-NE2 2.72Å
50V66.5Low76.9Confident50 Ų5073.1 Ų73.130%0.30341%0.414SS..  trans-117.1108.4170.1179.30000104.5P52 E294V50-P52 WeakPolarHBondContact O-CD 3.38Å; V50-E294 HydrophobicContact CG1-CB 4.19Å
51E73.9Confident75.9Confident36 Ų3671.4 Ų71.417%0.16841%0.408CS..  trans-63.2124.4170.9-71.1-168.4-176.600107.8I53 R145 S152E51-I53 PolarHBondContact O-N 2.77Å; E51-R145 IonicContact OE2-CZ 3.3Å; E51-R145 IonicContact OE2-NE 2.81Å; E51-R145 IonicContact OE2-NH2 3.91Å; E51-R145 PolarHBondContact OE2-NH2 2.7Å; E51-S152 PolarHBondContact OE1-OG 3.33Å
52P77.8Confident74.9Confident47 Ų4772.2 Ų72.231%0.30542%0.418SS..  trans-63.5143.3179.629.2-35.9000109.3V50 I54 E294V50-P52 WeakPolarHBondContact O-CD 3.38Å; P52-I54 WeakPolarHBondContact CB-O 3.29Å; P52-I54 WeakPolarHBondContact CG-O 3.44Å; P52-I54 PolarHBondContact O-N 3.11Å; P52-E294 HydrophobicContact CB-CG 4.31Å
53I81.5Confident74.7Confident4 Ų471.4 Ų71.42%0.02141%0.414CS..SBendtrans-62.9-36.4-179.2-61.9172.8000109.7F19 E51 F130 W142 Y293 L296 V299F19-I53 HydrophobicContact CE2-CG2 3.6Å; F19-I53 HydrophobicContact CZ-CG2 4.2Å; E51-I53 PolarHBondContact O-N 2.77Å; I53-F130 HydrophobicContact CD1-CE1 3.84Å; I53-F130 HydrophobicContact CD1-CZ 4.42Å; I53-F130 HydrophobicContact CG1-CE1 4.19Å; I53-W142 HydrophobicContact CG2-CZ2 4.31Å; I53-Y293 WeakPolarHBondContact CB-O 3.28Å; I53-Y293 PolarHBondContact N-O 3.5Å; I53-L296 HydrophobicContact CD1-CB 3.77Å; I53-L296 HydrophobicContact CD1-CD1 3.86Å; I53-L296 HydrophobicContact CD1-CG 4.46Å; I53-V299 HydrophobicContact CB-CG2 4.17Å; I53-V299 HydrophobicContact CD1-CG2 4.27Å; I53-V299 HydrophobicContact CG2-CG1 4.16Å; I53-V299 HydrophobicContact CG2-CG2 4.35Å
54I84.2Confident74.6Confident1 Ų169 Ų691%0.00542%0.417CS..SBendtrans-101119.3169.1-54.6-180000107.8P52 R56 L269 R270 Y293 V299P52-I54 WeakPolarHBondContact CB-O 3.29Å; P52-I54 WeakPolarHBondContact CG-O 3.44Å; P52-I54 PolarHBondContact O-N 3.11Å; I54-R56 PolarHBondContact O-N 2.97Å; I54-L269 HydrophobicContact CD1-CD2 3.66Å; I54-L269 HydrophobicContact CD1-CG 4.3Å; I54-R270 HydrophobicContact CG2-CG 3.79Å; I54-Y293 HydrophobicContact CB-CD2 3.73Å; I54-Y293 HydrophobicContact CB-CE2 4.32Å; I54-Y293 HydrophobicContact CB-CG 3.87Å; I54-Y293 HydrophobicContact CD1-CD1 3.64Å; I54-Y293 HydrophobicContact CD1-CD2 4.03Å; I54-Y293 HydrophobicContact CD1-CE1 3.73Å; I54-Y293 HydrophobicContact CD1-CE2 4.11Å; I54-Y293 HydrophobicContact CD1-CG 3.79Å; I54-Y293 HydrophobicContact CG1-CD1 4.39Å; I54-Y293 HydrophobicContact CG1-CD2 4.36Å; I54-Y293 HydrophobicContact CG1-CG 4.12Å; I54-Y293 HydrophobicContact CG2-CD2 4.02Å; I54-Y293 HydrophobicContact CG2-CE2 4.19Å; I54-V299 HydrophobicContact CD1-CG1 4.31Å; I54-V299 HydrophobicContact CD1-CG2 4.3Å; I54-V299 HydrophobicContact CG1-CG1 4.38Å; I54-V299 HydrophobicContact CG1-CG2 4.33Å
55S78.1Confident74.5Confident41 Ų4167.5 Ų67.529%0.28741%0.41SS..SBendtrans-63.8-8.7-171.3-55.60000115.4Q241S55-Q241 PolarHBondContact OG-NE2 3.01Å
56R85.4Confident74.7Confident17 Ų1759.9 Ų59.96%0.06437%0.369CS..SBendtrans-134.9154.3-173.8-60.6173-176141.5-1.7111.4I54 Y146 P262 D267 R270 Y293 E386I54-R56 PolarHBondContact O-N 2.97Å; R56-Y146 PolarHBondContact NE-OH 3.34Å; R56-Y146 PolarHBondContact NH2-OH 3.33Å; R56-P262 PolarHBondContact NH1-O 3.12Å; R56-P262 PolarHBondContact NH2-O 3.5Å; R56-D267 IonicContact CZ-OD1 3.59Å; R56-D267 IonicContact NH1-OD1 2.71Å; R56-D267 PolarHBondContact NH1-OD1 3.24Å; R56-D267 IonicContact NH1-OD2 3.86Å; R56-D267 PolarHBondContact NH1-OD2 2.74Å; R56-R270 VanDerWaalsContact CB-CZ 3.46Å; R56-R270 VanDerWaalsContact CD-CZ 3.43Å; R56-R270 VanDerWaalsContact CD-NH2 3.29Å; R56-R270 VanDerWaalsContact O-CD 3.3Å; R56-R270 WeakPolarHBondContact O-CD 3.19Å; R56-Y293 VanDerWaalsContact O-CD2 3.23Å; R56-Y293 WeakPolarHBondContact O-CD2 3.13Å; R56-Y293 WeakPolarHBondContact O-CE2 3.29Å; R56-E386 IonicContact CZ-OE2 3.53Å; R56-E386 IonicContact NE-OE2 4Å; R56-E386 PolarHBondContact NE-OE2 3.46Å; R56-E386 IonicContact NH2-OE2 2.99Å; R56-E386 PolarHBondContact NH2-OE2 2.78Å; R56-E386 VanDerWaalsContact NH2-OE2 3.09Å
57Q85.2Confident75.4Confident168 Ų16858 Ų5879%0.78535%0.354SS*.  trans-71.6165.1176.7-65.6-178.5-12.900112.5R270Q57-R270 WeakPolarHBondContact O-CD 3.29Å; Q57-R270 PolarHBondContact O-NH1 2.83Å
58K85.5Confident76.6Confident48 Ų4859.9 Ų59.921%0.20935%0.354CS..  trans-44.7137.5170.9-171.9178.3-164.4169.90111.1S274 L277 P278 D290K58-S274 WeakPolarHBondContact CG-OG 3.17Å; K58-L277 WeakPolarHBondContact CE-O 3.38Å; K58-L277 PolarHBondContact NZ-O 3.24Å; K58-P278 PolarHBondContact NZ-O 3.15Å; K58-D290 VanDerWaalsContact NZ-CG 3.32Å; K58-D290 IonicContact NZ-OD1 3.34Å; K58-D290 PolarHBondContact NZ-OD1 3.43Å; K58-D290 IonicContact NZ-OD2 3.55Å; K58-D290 PolarHBondContact NZ-OD2 2.96Å
59A81.1Confident77.8Confident15 Ų1556.7 Ų56.712%0.12433%0.334CS..  trans-70.6132.8-177.200000110.8C61 V271 S274A59-C61 PolarHBondContact O-N 3.13Å; A59-V271 HydrophobicContact CB-CG2 4.16Å; A59-S274 WeakPolarHBondContact CA-OG 3.39Å; A59-S274 WeakPolarHBondContact CB-OG 3.3Å; A59-S274 PolarHBondContact N-OG 2.81Å; A59-S274 WeakPolarHBondContact O-CB 3.42Å; A59-S274 PolarHBondContact O-OG 3.48Å
60A79.9Confident79.1Confident73 Ų7353 Ų5360%0.60331%0.309SS*.  trans-80.566.8177.400000111.1N62 S63A60-N62 PolarHBondContact O-N 3.18Å; A60-S63 PolarHBondContact O-N 3.18Å; A60-S63 PolarHBondContact O-OG 3.14Å; A60-S63 VanDerWaalsContact O-OG 3.09Å
61C69Low80.2Confident7 Ų753.7 Ų53.75%0.04731%0.311CS..THydrogen-bonded Turntrans-57.6-22.4-176.8-73.30000114A59 L66 Q67 L275A59-C61 PolarHBondContact O-N 3.13Å; C61-L66 HydrophobicContact CB-CD2 4.36Å; C61-L66 WeakPolarHBondContact O-CD2 3.27Å; C61-Q67 PolarHBondContact O-OE1 3.35Å; C61-L275 HydrophobicContact CB-CD2 4.22Å
62N66.6Low81Confident122 Ų12256.3 Ų56.365%0.65233%0.33SS*.THydrogen-bonded Turntrans-89.42.9-175.2-58.4-14.4000114.3A60A60-N62 PolarHBondContact O-N 3.18Å
63S72.9Confident81.7Confident46 Ų4655 Ų5532%0.32232%0.32SS..SBendtrans-68.7139176.457.10000110.7A60 S65 L66 Q67A60-S63 PolarHBondContact O-N 3.18Å; A60-S63 PolarHBondContact O-OG 3.14Å; A60-S63 VanDerWaalsContact O-OG 3.09Å; S63-S65 VanDerWaalsContact C-N 3.33Å; S63-S65 PolarHBondContact O-N 3.31Å; S63-L66 PolarHBondContact O-N 3.07Å; S63-L66 VanDerWaalsContact OG-CB 3.22Å; S63-L66 WeakPolarHBondContact OG-CB 3.48Å; S63-Q67 PolarHBondContact O-N 3.25Å
64S75Confident82.2Confident112 Ų11256.7 Ų56.778%0.78333%0.326SS*.Hα-helixtrans-57.4-40.6-170.651.70000113.9L66S64-L66 VanDerWaalsContact C-N 3.34Å
65S72.4Confident82.5Confident87 Ų8759.1 Ų59.161%0.60834%0.343SS*.Hα-helixtrans-68-34178.256.50000113S63S63-S65 VanDerWaalsContact C-N 3.33Å; S63-S65 PolarHBondContact O-N 3.31Å
66L77.4Confident83.2Confident12 Ų1260.8 Ų60.86%0.06334%0.344CS..Hα-helixtrans-85.2-28.6-176.3-172.5145.3000111.6C61 S63 S64 E68 S69 V70 S380C61-L66 HydrophobicContact CB-CD2 4.36Å; C61-L66 WeakPolarHBondContact O-CD2 3.27Å; S63-L66 PolarHBondContact O-N 3.07Å; S63-L66 VanDerWaalsContact OG-CB 3.22Å; S63-L66 WeakPolarHBondContact OG-CB 3.48Å; S64-L66 VanDerWaalsContact C-N 3.34Å; L66-E68 VanDerWaalsContact C-N 3.27Å; L66-E68 PolarHBondContact O-N 3.01Å; L66-S69 PolarHBondContact O-N 2.72Å; L66-V70 HydrophobicContact CD2-CG2 3.46Å; L66-V70 VanDerWaalsContact CD2-CG2 3.46Å; L66-V70 HydrophobicContact CG-CG2 4.3Å; L66-V70 WeakPolarHBondContact O-CB 3.29Å; L66-V70 VanDerWaalsContact O-CG2 3.27Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 3.1Å; L66-S380 WeakPolarHBondContact CD1-O 3.3Å
67Q85.4Confident83.5Confident47 Ų4760 Ų6022%0.2234%0.341CS..Hα-helixtrans-59.9-36.9177.6-170.666.77.200112.1C61 S63 V70 N71 E88C61-Q67 PolarHBondContact O-OE1 3.35Å; S63-Q67 PolarHBondContact O-N 3.25Å; Q67-V70 PolarHBondContact O-N 3.25Å; Q67-N71 WeakPolarHBondContact O-CB 3.4Å; Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 3.13Å; Q67-N71 PolarHBondContact O-ND2 3.18Å; Q67-E88 PolarHBondContact NE2-OE1 3.46Å
68E86.9Confident83.7Confident145 Ų14552.3 Ų52.368%0.67831%0.305SS*.Hα-helixtrans-64.2-50.3175.4-173.3175.4-174.900111.4L66 V70 N71 T72L66-E68 VanDerWaalsContact C-N 3.27Å; L66-E68 PolarHBondContact O-N 3.01Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 3.35Å; E68-N71 PolarHBondContact O-N 2.96Å; E68-T72 PolarHBondContact O-N 2.79Å; E68-T72 PolarHBondContact O-OG1 2.83Å
69S86.5Confident84Confident35 Ų3554.9 Ų54.925%0.24533%0.325CS..Hα-helixtrans-60-41.6176.2-51.30000112.1L66 N71 T72 I73L66-S69 PolarHBondContact O-N 2.72Å; S69-N71 VanDerWaalsContact C-N 3.35Å; S69-N71 PolarHBondContact O-N 2.73Å; S69-T72 PolarHBondContact O-N 3.04Å; S69-I73 WeakPolarHBondContact O-CB 3.18Å; S69-I73 WeakPolarHBondContact O-CG1 3.32Å; S69-I73 PolarHBondContact O-N 3.22Å
70V89.5Confident84.5Confident1 Ų155.2 Ų55.21%0.00633%0.325CS..Hα-helixtrans-58.4-46.1175.5162.70000111L66 Q67 E68 R74 L369 L373L66-V70 HydrophobicContact CD2-CG2 3.46Å; L66-V70 VanDerWaalsContact CD2-CG2 3.46Å; L66-V70 HydrophobicContact CG-CG2 4.3Å; L66-V70 WeakPolarHBondContact O-CB 3.29Å; L66-V70 VanDerWaalsContact O-CG2 3.27Å; L66-V70 WeakPolarHBondContact O-CG2 3.31Å; L66-V70 PolarHBondContact O-N 3.1Å; Q67-V70 PolarHBondContact O-N 3.25Å; E68-V70 VanDerWaalsContact C-N 3.31Å; E68-V70 PolarHBondContact O-N 3.35Å; V70-R74 WeakPolarHBondContact O-CB 3.43Å; V70-R74 PolarHBondContact O-N 3.07Å; V70-L369 HydrophobicContact CG1-CD2 4.13Å; V70-L373 HydrophobicContact CG2-CD1 4.15Å; V70-L373 HydrophobicContact CG2-CD2 3.74Å
71N90Very high84.9Confident63 Ų6353 Ų5334%0.33730%0.302SS..Hα-helixtrans-68.7-41.7-179.7-74.6-23.8000112.4Q67 E68 S69 R74 S75Q67-N71 WeakPolarHBondContact O-CB 3.4Å; Q67-N71 VanDerWaalsContact O-CG 3.23Å; Q67-N71 PolarHBondContact O-N 3.13Å; Q67-N71 PolarHBondContact O-ND2 3.18Å; E68-N71 PolarHBondContact O-N 2.96Å; S69-N71 VanDerWaalsContact C-N 3.35Å; S69-N71 PolarHBondContact O-N 2.73Å; N71-R74 PolarHBondContact O-N 3.36Å; N71-R74 PolarHBondContact OD1-NH1 3.45Å; N71-S75 PolarHBondContact O-N 3.08Å
72T91.5Very high85.7Confident92 Ų9257.8 Ų57.856%0.56433%0.326SS*.Hα-helixtrans-61.1-47.7175.7-63.10000111E68 S69 S75 Y76E68-T72 PolarHBondContact O-N 2.79Å; E68-T72 PolarHBondContact O-OG1 2.83Å; S69-T72 PolarHBondContact O-N 3.04Å; T72-S75 PolarHBondContact O-N 3.45Å; T72-Y76 PolarHBondContact O-N 3.44Å
73I91.5Very high86.5Confident19 Ų1952.9 Ų52.910%0.09730%0.3CS..Hα-helixtrans-67.3-39.5178.4-65.9167.7000110.9S69 S75 Y76 V77 L369 I372 L373 A376 C377S69-I73 WeakPolarHBondContact O-CB 3.18Å; S69-I73 WeakPolarHBondContact O-CG1 3.32Å; S69-I73 PolarHBondContact O-N 3.22Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.49Å; I73-Y76 WeakPolarHBondContact O-CB 3.3Å; I73-Y76 PolarHBondContact O-N 2.64Å; I73-Y76 VanDerWaalsContact O-N 3.17Å; I73-V77 HydrophobicContact CG2-CG2 4.12Å; I73-V77 WeakPolarHBondContact O-CB 3.45Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.04Å; I73-V77 PolarHBondContact O-N 3.34Å; I73-L369 HydrophobicContact CB-CD1 3.99Å; I73-L369 HydrophobicContact CG2-CD1 3.49Å; I73-L369 VanDerWaalsContact CG2-CD1 3.49Å; I73-I372 HydrophobicContact CG2-CG2 4.02Å; I73-L373 HydrophobicContact CD1-CD1 3.5Å; I73-L373 VanDerWaalsContact CD1-CD1 3.5Å; I73-A376 HydrophobicContact CD1-CB 3.57Å; I73-A376 HydrophobicContact CG1-CB 4.31Å; I73-A376 HydrophobicContact CG2-CB 4.47Å; I73-C377 HydrophobicContact CD1-CB 4.26Å; I73-C377 WeakPolarHBondContact CD1-SG 3.16Å
74R91.8Very high86.6Confident39 Ų3952.6 Ų52.615%0.14730%0.298CS..Hα-helixtrans-59.5-44.1176-176.9176.4-69.4138.8-5.1111.5V70 N71 Y76 V77 N78 L369V70-R74 WeakPolarHBondContact O-CB 3.43Å; V70-R74 PolarHBondContact O-N 3.07Å; N71-R74 PolarHBondContact O-N 3.36Å; N71-R74 PolarHBondContact OD1-NH1 3.45Å; R74-Y76 VanDerWaalsContact C-N 3.33Å; R74-Y76 PolarHBondContact O-N 3.49Å; R74-V77 PolarHBondContact O-N 3.4Å; R74-N78 PolarHBondContact O-N 3.27Å; R74-L369 HydrophobicContact CB-CD2 4.09Å; R74-L369 HydrophobicContact CG-CD2 4.45Å
75S91.5Very high86Confident53 Ų5354.2 Ų54.237%0.37129%0.288SS..Hα-helixtrans-59.2-46.6174.8-171.40000111N71 T72 I73 V77 N78 T79N71-S75 PolarHBondContact O-N 3.08Å; T72-S75 PolarHBondContact O-N 3.45Å; I73-S75 VanDerWaalsContact C-N 3.32Å; I73-S75 PolarHBondContact O-N 3.49Å; S75-V77 PolarHBondContact O-N 2.97Å; S75-N78 PolarHBondContact O-N 2.71Å; S75-T79 PolarHBondContact O-N 2.99Å; S75-T79 VanDerWaalsContact O-N 3.08Å; S75-T79 PolarHBondContact O-OG1 2.74Å
76Y92.3Very high85.3Confident76 Ų7652.4 Ų52.430%0.29827%0.272SS..Hα-helixtrans-60.9-44177.2179.2-96.7000112.4T72 I73 R74 T79 L80 W536 E539 Q540T72-Y76 PolarHBondContact O-N 3.44Å; I73-Y76 WeakPolarHBondContact O-CB 3.3Å; I73-Y76 PolarHBondContact O-N 2.64Å; I73-Y76 VanDerWaalsContact O-N 3.17Å; R74-Y76 VanDerWaalsContact C-N 3.33Å; R74-Y76 PolarHBondContact O-N 3.49Å; Y76-T79 PolarHBondContact O-N 3.39Å; Y76-L80 HydrophobicContact CE1-CB 4.38Å; Y76-L80 HydrophobicContact CE1-CD2 3.92Å; Y76-L80 VanDerWaalsContact O-CB 3.29Å; Y76-L80 WeakPolarHBondContact O-CB 3.21Å; Y76-L80 PolarHBondContact O-N 3.47Å; Y76-W536 AromaticContact CE1-CD1 3.64Å; Y76-W536 AromaticContact CE1-NE1 3.89Å; Y76-E539 WeakPolarHBondContact OH-CB 3.49Å; Y76-Q540 PolarHBondContact OH-NE2 2.88Å
77V91.3Very high84.1Confident0 Ų056 Ų560%030%0.295CS..Hα-helixtrans-61.3-44.3176.6167.80000111I73 R74 S75 T79 L80 F81 L368 I372I73-V77 HydrophobicContact CG2-CG2 4.12Å; I73-V77 WeakPolarHBondContact O-CB 3.45Å; I73-V77 VanDerWaalsContact O-CG2 3.3Å; I73-V77 WeakPolarHBondContact O-CG2 3.04Å; I73-V77 PolarHBondContact O-N 3.34Å; R74-V77 PolarHBondContact O-N 3.4Å; S75-V77 PolarHBondContact O-N 2.97Å; V77-T79 VanDerWaalsContact C-N 3.32Å; V77-T79 PolarHBondContact O-N 2.55Å; V77-L80 PolarHBondContact O-N 3.31Å; V77-F81 HydrophobicContact CG1-CD2 3.96Å; V77-F81 HydrophobicContact CG1-CE2 4.36Å; V77-F81 WeakPolarHBondContact O-CD2 3.45Å; V77-F81 PolarHBondContact O-N 2.97Å; V77-L368 HydrophobicContact CG1-CB 3.51Å; V77-L368 HydrophobicContact CG1-CD1 3.93Å; V77-L368 HydrophobicContact CG1-CG 4.39Å; V77-I372 HydrophobicContact CG2-CD1 3.67Å; V77-I372 HydrophobicContact CG2-CG2 4.48Å
78N90.8Very high82.4Confident6 Ų659.7 Ų59.73%0.03231%0.313CS..Hα-helixtrans-59.1-44.8176.6-76.4-22.7000111.7R74 S75 N82 L83 S365R74-N78 PolarHBondContact O-N 3.27Å; S75-N78 PolarHBondContact O-N 2.71Å; N78-N82 WeakPolarHBondContact O-CA 3.49Å; N78-N82 PolarHBondContact O-N 3.03Å; N78-L83 HydrophobicContact CB-CB 4.3Å; N78-L83 PolarHBondContact O-N 3.5Å; N78-S365 WeakPolarHBondContact OD1-CB 3.24Å
79T91.2Very high80.4Confident103 Ų10357 Ų5763%0.63231%0.31SS*.Hα-helixtrans-64.2-45.4175.3-55.30000112.1S75 Y76 V77 F81 N82S75-T79 PolarHBondContact O-N 2.99Å; S75-T79 VanDerWaalsContact O-N 3.08Å; S75-T79 PolarHBondContact O-OG1 2.74Å; Y76-T79 PolarHBondContact O-N 3.39Å; V77-T79 VanDerWaalsContact C-N 3.32Å; V77-T79 PolarHBondContact O-N 2.55Å; T79-F81 VanDerWaalsContact C-N 3.27Å; T79-F81 PolarHBondContact O-N 3.01Å; T79-N82 PolarHBondContact O-N 2.79Å
80L90.7Very high78.4Confident21 Ų2162.5 Ų62.511%0.1134%0.337CS..Hα-helixtrans-61.7-35.5-176.8179.161.9000112.8Y76 V77 R535 W536 E539Y76-L80 HydrophobicContact CE1-CB 4.38Å; Y76-L80 HydrophobicContact CE1-CD2 3.92Å; Y76-L80 VanDerWaalsContact O-CB 3.29Å; Y76-L80 WeakPolarHBondContact O-CB 3.21Å; Y76-L80 PolarHBondContact O-N 3.47Å; V77-L80 PolarHBondContact O-N 3.31Å; L80-R535 HydrophobicContact CD1-CG 4.06Å; L80-R535 HydrophobicContact CD2-CG 4.44Å; L80-R535 HydrophobicContact CG-CG 4.22Å; L80-W536 HydrophobicContact CD2-CB 3.96Å; L80-W536 HydrophobicContact CD2-CG 4.48Å; L80-E539 HydrophobicContact CD1-CB 4.2Å; L80-E539 HydrophobicContact CD1-CG 3.62Å
81F88.6Confident76.8Confident28 Ų2864.9 Ų64.912%0.12336%0.361CS..THydrogen-bonded Turntrans-107.115-178-65.4-84.2000113.5V77 T79 L83 L317 L368 I372 I532 R535V77-F81 HydrophobicContact CG1-CD2 3.96Å; V77-F81 HydrophobicContact CG1-CE2 4.36Å; V77-F81 WeakPolarHBondContact O-CD2 3.45Å; V77-F81 PolarHBondContact O-N 2.97Å; T79-F81 VanDerWaalsContact C-N 3.27Å; T79-F81 PolarHBondContact O-N 3.01Å; F81-L83 HydrophobicContact CB-CD1 4.44Å; F81-L83 HydrophobicContact CB-CG 4.23Å; F81-L83 PolarHBondContact O-N 2.65Å; F81-L317 HydrophobicContact CB-CD2 4.35Å; F81-L317 HydrophobicContact CD1-CD1 4.13Å; F81-L368 HydrophobicContact CB-CD1 3.9Å; F81-L368 HydrophobicContact CD1-CD1 4.29Å; F81-L368 HydrophobicContact CD2-CD1 3.68Å; F81-L368 HydrophobicContact CE2-CD1 4.26Å; F81-L368 HydrophobicContact CG-CD1 3.7Å; F81-L368 HydrophobicContact CZ-CD2 4.44Å; F81-I372 HydrophobicContact CE2-CD1 4.04Å; F81-I532 HydrophobicContact CE2-CG2 4.49Å; F81-I532 HydrophobicContact CZ-CB 4.41Å; F81-I532 HydrophobicContact CZ-CG2 3.99Å; F81-R535 HydrophobicContact CE1-CB 4.31Å; F81-R535 HydrophobicContact CE1-CG 4.22Å; F81-R535 HydrophobicContact CZ-CB 4.29Å; F81-R535 HydrophobicContact CZ-CG 4.34Å
82N86.9Confident75.6Confident106 Ų10666.5 Ų66.557%0.56737%0.369SS*.THydrogen-bonded Turntrans51.638.7178.9-61.1-36.8000114.1N78 T79 Q320N78-N82 WeakPolarHBondContact O-CA 3.49Å; N78-N82 PolarHBondContact O-N 3.03Å; T79-N82 PolarHBondContact O-N 2.79Å; N82-Q320 PolarHBondContact O-NE2 2.91Å
83L83.2Confident74.5Confident19 Ų1963.2 Ų63.210%0.09935%0.35CS..  trans-88.3142.4175.4-61.6176.2000110.3N78 F81 Y85 L317 P364 L368N78-L83 HydrophobicContact CB-CB 4.3Å; N78-L83 PolarHBondContact O-N 3.5Å; F81-L83 HydrophobicContact CB-CD1 4.44Å; F81-L83 HydrophobicContact CB-CG 4.23Å; F81-L83 PolarHBondContact O-N 2.65Å; L83-Y85 PolarHBondContact O-N 2.89Å; L83-L317 HydrophobicContact CD2-CD2 3.76Å; L83-L317 HydrophobicContact CG-CD2 4.46Å; L83-P364 HydrophobicContact CD1-CB 4.11Å; L83-P364 HydrophobicContact CD2-CB 4.34Å; L83-L368 HydrophobicContact CD1-CD1 3.7Å
84S74.9Confident73.6Confident40 Ų4064.5 Ų64.528%0.2836%0.363SS..  trans-65.1133.5173.452.10000110.3L86S84-L86 PolarHBondContact O-N 2.82Å
85Y61.7Low73.1Confident146 Ų14663.8 Ų63.857%0.57336%0.363SS*.  trans-73.4110177.1-176.5-92.9000109.6L83 P87L83-Y85 PolarHBondContact O-N 2.89Å; Y85-P87 HydrophobicContact CE1-CB 3.9Å; Y85-P87 HydrophobicContact CE1-CG 4.31Å; Y85-P87 WeakPolarHBondContact O-CD 3.35Å
86L57.2Low72.5Confident50 Ų5064.5 Ų64.526%0.26237%0.365SS..  trans-90.8110.7162.1-86129.4000108.6S84 E88 F343S84-L86 PolarHBondContact O-N 2.82Å; L86-E88 PolarHBondContact O-N 3.03Å; L86-F343 HydrophobicContact CD1-CD1 4.47Å; L86-F343 HydrophobicContact CD2-CD1 4.02Å; L86-F343 HydrophobicContact CD2-CE1 3.93Å
87P52.1Low71.9Confident87 Ų8763.4 Ų63.457%0.56537%0.368SS*.  trans-60.7134.2156.525.3-26.8000106.5Y85 S89Y85-P87 HydrophobicContact CE1-CB 3.9Å; Y85-P87 HydrophobicContact CE1-CG 4.31Å; Y85-P87 WeakPolarHBondContact O-CD 3.35Å; P87-S89 PolarHBondContact O-N 2.84Å
88E50.4Low71Confident125 Ų12564.5 Ų64.558%0.58438%0.375SS*.  trans-33.899.5-178.7-71.4176.8167.300111.2Q67 L86 N90Q67-E88 PolarHBondContact NE2-OE1 3.46Å; L86-E88 PolarHBondContact O-N 3.03Å; E88-N90 PolarHBondContact O-N 2.7Å
89S44.5Very low69.6Low88 Ų8876.1 Ų76.162%0.61542%0.418SS*.  trans-67.4124.4144.859.60000102.7P87 G91P87-S89 PolarHBondContact O-N 2.84Å; S89-G91 PolarHBondContact O-N 2.83Å
90N45.5Very low67.9Low151 Ų15177 Ų7781%0.80742%0.418SS*.SBendtrans-57.917.5-177.9-80-27000115.1E88 L92E88-N90 PolarHBondContact O-N 2.7Å; N90-L92 PolarHBondContact O-N 3.29Å; N90-L92 VanDerWaalsContact O-N 3.09Å
91G55Low65.6Low51 Ų5184.6 Ų84.653%0.52645%0.453SS..  trans-76.485.9167.400000110S89S89-G91 PolarHBondContact O-N 2.83Å
92L65.5Low63.3Low96 Ų9691.1 Ų91.150%0.50348%0.484SS..  trans-46.2148.2152-66.8175.8000108.7N90 A94 P278N90-L92 PolarHBondContact O-N 3.29Å; N90-L92 VanDerWaalsContact O-N 3.09Å; L92-A94 PolarHBondContact O-N 2.98Å; L92-P278 HydrophobicContact CD1-CG 4.08Å; L92-P278 HydrophobicContact CD2-CG 3.88Å; L92-P278 HydrophobicContact CG-CG 4.39Å
93P67.3Low61Low24 Ų2490.7 Ų90.716%0.15649%0.485CS..  trans-48.9121.2173.2-26.134.6000109.7V95 I359 L362P93-V95 PolarHBondContact O-N 3.29Å; P93-I359 HydrophobicContact CB-CG2 4.1Å; P93-L362 HydrophobicContact CG-CD1 4.1Å
94A73.9Confident58.8Low45 Ų4599.4 Ų99.437%0.37253%0.526SS..EExtended strand (participates in β ladder)trans-87.5113.4-179.300000107.7L92 S360L92-A94 PolarHBondContact O-N 2.98Å; A94-S360 PolarHBondContact N-O 2.91Å; A94-S360 PolarHBondContact O-N 3.13Å; A94-S360 PolarHBondContact O-OG 3.27Å
95V79.9Confident57.2Low25 Ų25102.3 Ų102.315%0.15254%0.537CS..EExtended strand (participates in β ladder)trans-98.4110.2176.6-169.60000108.3P93 L277 F281 Y357 D358 I359P93-V95 PolarHBondContact O-N 3.29Å; V95-L277 HydrophobicContact CG2-CD2 3.5Å; V95-L277 VanDerWaalsContact CG2-CD2 3.5Å; V95-F281 HydrophobicContact CB-CB 4.21Å; V95-F281 HydrophobicContact CG1-CB 3.79Å; V95-Y357 HydrophobicContact CG1-CD1 4.17Å; V95-Y357 HydrophobicContact CG1-CG 4.37Å; V95-D358 WeakPolarHBondContact CA-O 3.43Å; V95-I359 HydrophobicContact CG1-CG1 4.18Å; V95-I359 HydrophobicContact CG2-CG1 4.14Å
96T80.2Confident55.8Low68 Ų68103.9 Ų103.942%0.41755%0.549SS..EExtended strand (participates in β ladder)trans-118.1140.7178.650.20000110.1S98 Y357 D358T96-S98 PolarHBondContact O-N 2.93Å; T96-Y357 CarbonylContact O-C 3.59Å; T96-Y357 WeakPolarHBondContact O-CA 3.32Å; T96-D358 PolarHBondContact N-O 3.41Å; T96-D358 PolarHBondContact O-N 3.18Å
97P78.3Confident54.8Low53 Ų53106.9 Ų106.934%0.34457%0.566SS.*EExtended strand (participates in β ladder)trans-53.8129.7167.5-23.533.3000109.9Y357P97-Y357 HydrophobicContact CG-CE1 4.39Å
98S73.6Confident54.1Low22 Ų22108.9 Ų108.915%0.15458%0.576CS.*  trans-70.2147179.177.60000109.7T96 Q356 D358T96-S98 PolarHBondContact O-N 2.93Å; S98-Q356 PolarHBondContact N-O 3.28Å; S98-Q356 WeakPolarHBondContact OG-CB 3.44Å; S98-Q356 PolarHBondContact OG-O 3.44Å; S98-Q356 PolarHBondContact OG-OE1 3.18Å; S98-D358 WeakPolarHBondContact CA-OD2 3.37Å; S98-D358 VanDerWaalsContact CB-OD2 3.29Å; S98-D358 WeakPolarHBondContact CB-OD2 3.31Å
99R61.3Low53.7Low250 Ų250108 Ų10894%0.94357%0.571SS**  trans-93.6-0.8179-68.5-174.3178.9-178.20.3113.7
100L55.7Low53.9Low121 Ų121107.7 Ų107.763%0.63456%0.562SS**SBendtrans-90.9130.5-175.5-70.8165.6000110.1
101E42.3Very low54.2Low181 Ų181101.3 Ų101.385%0.84653%0.527SS*.  trans-68.5146178.2-70-175.5168.700111.9T103E101-T103 PolarHBondContact O-N 3.34Å
102H40.3Very low54Low165 Ų165107.7 Ų107.776%0.76454%0.543SS*.  trans-26.7108.1-178.5-54.7-78.4000115.6
103T38.9Very low53.5Low97 Ų97107.1 Ų107.160%0.59553%0.534SS*.  trans-84.9127.1148.821.30000108.3E101 I105E101-T103 PolarHBondContact O-N 3.34Å; T103-I105 PolarHBondContact O-N 3.21Å
104E37Very low53Low203 Ų203110.9 Ų110.995%0.94955%0.55SS*.  trans-6198.1167.3-69.2-178.1168.900108
105I40.4Very low52.1Low100 Ų100113.2 Ų113.251%0.51356%0.563SS.*  trans-87.7124.3171.6-62.4169.7000106.4T103 D107T103-I105 PolarHBondContact O-N 3.21Å; I105-D107 PolarHBondContact O-N 2.82Å
106E33.6Very low51.3Low179 Ų179118.9 Ų118.984%0.83659%0.593SS**  trans-58.1109.8166-78.3-176.3154.200108.1T108E106-T108 PolarHBondContact O-N 2.85Å
107D36.4Very low50.7Low113 Ų113116.1 Ų116.160%0.60458%0.576SS**  trans-47.6104.4170.2-85.2-30.9000108.3I105 K109I105-D107 PolarHBondContact O-N 2.82Å; D107-K109 HydrophobicContact CB-CD 3.58Å; D107-K109 HydrophobicContact CB-CG 3.87Å; D107-K109 PolarHBondContact O-N 3.42Å; D107-K109 WeakPolarHBondContact OD2-CE 3.4Å; D107-K109 IonicContact OD2-NZ 2.65Å; D107-K109 PolarHBondContact OD2-NZ 2.8Å
108T35.8Very low50.6Low129 Ų129117.8 Ų117.879%0.79159%0.586SS**  trans-73.868.4167.5-46.80000106.7E106 L110E106-T108 PolarHBondContact O-N 2.85Å; T108-L110 PolarHBondContact O-N 2.83Å
109K43Very low50.8Low106 Ų106121 Ų12146%0.46161%0.609SS.*  trans-66.1124.9178.9-86.1145171.2160.40107.8D107 F111D107-K109 HydrophobicContact CB-CD 3.58Å; D107-K109 HydrophobicContact CB-CG 3.87Å; D107-K109 PolarHBondContact O-N 3.42Å; D107-K109 WeakPolarHBondContact OD2-CE 3.4Å; D107-K109 IonicContact OD2-NZ 2.65Å; D107-K109 PolarHBondContact OD2-NZ 2.8Å; K109-F111 WeakPolarHBondContact CB-O 3.29Å; K109-F111 PolarHBondContact O-N 3.01Å
110L47.9Very low51.7Low82 Ų82111.2 Ų111.243%0.42959%0.586SS.*SBendtrans-56.3-16.7169.2-78.1174000113T108 E300T108-L110 PolarHBondContact O-N 2.83Å; L110-E300 VanDerWaalsContact CB-OE1 3.27Å; L110-E300 WeakPolarHBondContact CB-OE1 3.44Å; L110-E300 WeakPolarHBondContact CD1-OE1 3.41Å; L110-E300 WeakPolarHBondContact CD1-OE2 3.32Å; L110-E300 WeakPolarHBondContact CG-OE1 3.39Å
111F52.8Low53.2Low18 Ų18108.9 Ų108.98%0.07957%0.572CS.*SBendtrans-132.2125.6-178.5-55.8-70.8000112P35 K109 W113 N127P35-F111 HydrophobicContact CG-CE1 4.48Å; K109-F111 WeakPolarHBondContact CB-O 3.29Å; K109-F111 PolarHBondContact O-N 3.01Å; F111-W113 HydrophobicContact CB-CE3 4.25Å; F111-W113 HydrophobicContact CB-CZ3 4.3Å; F111-W113 PolarHBondContact O-N 3.39Å; F111-W113 PolarHBondContact O-NE1 3.06Å; F111-N127 VanDerWaalsContact CD1-OD1 3.24Å; F111-N127 WeakPolarHBondContact CD1-OD1 3.42Å
112E50.9Low55.4Low184 Ų184107.1 Ų107.186%0.8656%0.564SS**PPolyproline II helixtrans-67.3125.8165.5-71.1179.8175.700109.3
113W54.9Low57.9Low85 Ų85101.2 Ų101.232%0.32254%0.536SS..PPolyproline II helixtrans-101.6127-177.1-50.2108.5000110.4F111 N127 N131 L296F111-W113 HydrophobicContact CB-CE3 4.25Å; F111-W113 HydrophobicContact CB-CZ3 4.3Å; F111-W113 PolarHBondContact O-N 3.39Å; F111-W113 PolarHBondContact O-NE1 3.06Å; W113-N127 HydrophobicContact CE3-CB 4.23Å; W113-N127 HydrophobicContact CZ3-CB 4.29Å; W113-N131 HydrophobicContact CE3-CB 4.43Å; W113-N131 HydrophobicContact CZ3-CB 4.39Å; W113-N131 WeakPolarHBondContact CZ3-OD1 3.49Å; W113-L296 HydrophobicContact CH2-CD2 4.02Å
114E55.1Low60.4Low103 Ų10396.8 Ų96.848%0.48151%0.508SS..PPolyproline II helixtrans-91.6126.7168.9-71.1178.5-179.500110.3N116 K172E114-N116 VanDerWaalsContact C-N 3.29Å; E114-N116 PolarHBondContact O-N 3.23Å; E114-K172 WeakPolarHBondContact OE2-CE 3.34Å; E114-K172 IonicContact OE2-NZ 3.98Å; E114-K172 PolarHBondContact OE2-NZ 2.99Å
115S55.2Low63.1Low94 Ų9487.2 Ų87.266%0.65746%0.464SS*.THydrogen-bonded Turntrans-73-18.818045.50000113.8T117 R132S115-T117 PolarHBondContact O-N 3.3Å; S115-R132 PolarHBondContact O-NH2 2.92Å; S115-R132 VanDerWaalsContact O-NH2 3.08Å
116N63.8Low65.6Low144 Ų14482.5 Ų82.577%0.7744%0.44SS*.THydrogen-bonded Turntrans-92.812.1-163.9-73.4-15.2000116.2E114 P118E114-N116 VanDerWaalsContact C-N 3.29Å; E114-N116 PolarHBondContact O-N 3.23Å; N116-P118 WeakPolarHBondContact O-CD 3.37Å
117T68.8Low68.3Low9 Ų974.6 Ų74.66%0.05540%0.403CS..PPolyproline II helixtrans-66.6122177.1-55.70000110.9S115 Q121 Y124 D128 R132 K172S115-T117 PolarHBondContact O-N 3.3Å; T117-Q121 VanDerWaalsContact CG2-NE2 3.33Å; T117-Y124 HydrophobicContact CG2-CD1 3.86Å; T117-Y124 HydrophobicContact CG2-CE1 3.84Å; T117-D128 HydrophobicContact CG2-CB 4.45Å; T117-D128 VanDerWaalsContact OG1-CG 3.3Å; T117-D128 PolarHBondContact OG1-OD1 2.84Å; T117-D128 PolarHBondContact OG1-OD2 3.02Å; T117-R132 PolarHBondContact O-NH2 3.11Å; T117-K172 PolarHBondContact OG1-NZ 2.94Å
118P76.1Confident70.7Confident88 Ų8869.8 Ų69.857%0.57138%0.378SS*.PPolyproline II helixtrans-59.5139179.7-23.932.9000112.4N116 Q121N116-P118 WeakPolarHBondContact O-CD 3.37Å; P118-Q121 PolarHBondContact O-NE2 3.18Å
119S77.5Confident73.2Confident90 Ų9063.7 Ų63.763%0.62934%0.34SS*.THydrogen-bonded Turntrans-77.4148.7179.4-58.30000112.3R132S119-R132 PolarHBondContact OG-NH1 2.79Å; S119-R132 VanDerWaalsContact OG-NH1 3.08Å
120G79.7Confident74.9Confident45 Ų4559 Ų5946%0.46432%0.32SS..THydrogen-bonded Turntrans87.912.1169.600000116K41 Y124K41-G120 PolarHBondContact NZ-O 3.44Å; G120-Y124 PolarHBondContact N-OH 2.98Å
121Q86.3Confident76Confident72 Ų7256.4 Ų56.434%0.33631%0.306SS..  trans-60.5161.4176.8-66.8-176.966.100112.5K41 T117 P118 F123 Y124 Y138K41-Q121 WeakPolarHBondContact CE-O 3.34Å; K41-Q121 PolarHBondContact NZ-O 2.8Å; T117-Q121 VanDerWaalsContact CG2-NE2 3.33Å; P118-Q121 PolarHBondContact O-NE2 3.18Å; Q121-F123 VanDerWaalsContact C-N 3.28Å; Q121-F123 WeakPolarHBondContact CB-O 3.31Å; Q121-Y124 HydrophobicContact CB-CE1 4.13Å; Q121-Y124 HydrophobicContact CG-CE1 4.34Å; Q121-Y138 PolarHBondContact O-OH 3.39Å
122E88.6Confident77Confident143 Ų14358.5 Ų58.567%0.66831%0.314SS*.SBendtrans-66.8-34.8175.7-173.1178170.400111.9K41K41-E122 PolarHBondContact N-O 3.25Å
123F93.1Very high77.8Confident41 Ų4149.7 Ų49.718%0.1827%0.273CS..EExtended strand (participates in β ladder)trans-146.2164178.369.4-92.7000111.5I38 A39 R40 Q121 A125 D164I38-F123 HydrophobicContact CD1-CB 3.97Å; I38-F123 HydrophobicContact CD1-CD2 3.64Å; I38-F123 HydrophobicContact CD1-CE2 4.35Å; I38-F123 HydrophobicContact CD1-CG 3.91Å; I38-F123 HydrophobicContact CG1-CB 4.07Å; I38-F123 HydrophobicContact CG1-CD2 4.05Å; I38-F123 HydrophobicContact CG1-CG 4.4Å; A39-F123 CarbonylContact O-C 3.59Å; A39-F123 WeakPolarHBondContact O-CA 3.48Å; A39-F123 WeakPolarHBondContact O-CB 3.1Å; R40-F123 HydrophobicContact CG-CB 4.07Å; Q121-F123 VanDerWaalsContact C-N 3.28Å; Q121-F123 WeakPolarHBondContact CB-O 3.31Å; F123-A125 HydrophobicContact CD2-CB 4.42Å; F123-A125 HydrophobicContact CE2-CB 4.39Å; F123-D164 HydrophobicContact CD2-CB 4.29Å; F123-D164 HydrophobicContact CE1-CB 4.16Å; F123-D164 HydrophobicContact CE2-CB 3.77Å; F123-D164 HydrophobicContact CZ-CB 3.69Å
124Y92.6Very high78.4Confident5 Ų548.6 Ų48.62%0.0227%0.273CS..EExtended strand (participates in β ladder)trans-130.1131.4167.1-59.3-77.1000108.6I38 A39 T117 G120 Q121 D128 A129 R132 D136 Y138I38-Y124 CarbonylContact C-O 3.58Å; I38-Y124 WeakPolarHBondContact CA-O 3.42Å; I38-Y124 WeakPolarHBondContact CG1-O 3.47Å; A39-Y124 PolarHBondContact N-O 3.28Å; A39-Y124 PolarHBondContact O-N 2.78Å; T117-Y124 HydrophobicContact CG2-CD1 3.86Å; T117-Y124 HydrophobicContact CG2-CE1 3.84Å; G120-Y124 PolarHBondContact N-OH 2.98Å; Q121-Y124 HydrophobicContact CB-CE1 4.13Å; Q121-Y124 HydrophobicContact CG-CE1 4.34Å; Y124-D128 HydrophobicContact CD1-CB 4.34Å; Y124-A129 WeakPolarHBondContact O-CB 3.34Å; Y124-R132 HydrophobicContact CD1-CB 4.08Å; Y124-R132 HydrophobicContact CD2-CB 4.08Å; Y124-R132 HydrophobicContact CE1-CB 3.89Å; Y124-R132 HydrophobicContact CE1-CG 4.31Å; Y124-R132 HydrophobicContact CE2-CB 3.86Å; Y124-R132 HydrophobicContact CG-CB 4.16Å; Y124-D136 PolarHBondContact OH-OD2 3.3Å; Y124-Y138 AromaticContact CD2-CD1 3.93Å; Y124-Y138 HydrophobicContact CD2-CD1 3.93Å; Y124-Y138 AromaticContact CD2-CE1 3.82Å; Y124-Y138 HydrophobicContact CD2-CE1 3.82Å; Y124-Y138 HydrophobicContact CD2-CG 4.43Å; Y124-Y138 HydrophobicContact CE2-CD1 4.14Å; Y124-Y138 HydrophobicContact CE2-CD2 4.42Å; Y124-Y138 AromaticContact CE2-CE1 3.68Å; Y124-Y138 HydrophobicContact CE2-CE1 3.68Å; Y124-Y138 HydrophobicContact CE2-CE2 4.01Å; Y124-Y138 AromaticContact CE2-CZ 3.61Å
125A93.5Very high79Confident2 Ų252 Ų522%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-112163.7-17800000112I38 F123 N127 D128 I165 T168I38-A125 HydrophobicContact CG1-CB 4.39Å; F123-A125 HydrophobicContact CD2-CB 4.42Å; F123-A125 HydrophobicContact CE2-CB 4.39Å; A125-N127 PolarHBondContact O-N 3.01Å; A125-D128 WeakPolarHBondContact O-CB 3.45Å; A125-D128 PolarHBondContact O-N 3.33Å; A125-D128 VanDerWaalsContact O-N 3.12Å; A125-I165 HydrophobicContact CB-CG1 4.08Å; A125-T168 HydrophobicContact CB-CG2 4.21Å
126L92.8Very high79.7Confident0 Ų051.3 Ų51.30%028%0.275CS..THydrogen-bonded Turntrans59.1-133.6173.8-46.6175.1000111.2L21 F34 C37 D128 A129 I165 T168 A169 H173L21-L126 HydrophobicContact CD2-CD2 4.03Å; F34-L126 HydrophobicContact CB-CB 4.04Å; F34-L126 HydrophobicContact CB-CD1 4.45Å; F34-L126 HydrophobicContact CB-CD2 3.7Å; F34-L126 HydrophobicContact CB-CG 4.27Å; F34-L126 HydrophobicContact CD1-CB 4.35Å; F34-L126 HydrophobicContact CD1-CD1 4.37Å; F34-L126 HydrophobicContact CD2-CD1 4.23Å; F34-L126 HydrophobicContact CD2-CD2 4.49Å; F34-L126 HydrophobicContact CG-CB 4.29Å; F34-L126 HydrophobicContact CG-CD1 4.08Å; F34-L126 HydrophobicContact CG-CD2 4.18Å; F34-L126 HydrophobicContact CG-CG 4.41Å; C37-L126 PolarHBondContact O-N 2.84Å; L126-D128 PolarHBondContact O-N 2.88Å; L126-A129 VanDerWaalsContact O-CB 3.26Å; L126-A129 WeakPolarHBondContact O-CB 3.43Å; L126-A129 PolarHBondContact O-N 3.28Å; L126-I165 HydrophobicContact CD2-CG2 3.56Å; L126-T168 HydrophobicContact CD1-CG2 4.24Å; L126-A169 HydrophobicContact CD1-CB 3.78Å; L126-A169 HydrophobicContact CD2-CB 4.47Å; L126-H173 VanDerWaalsContact CD1-CD2 3.45Å; L126-H173 WeakPolarHBondContact CD1-CD2 3.39Å
127N89.1Confident80.3Confident14 Ų1446.6 Ų46.68%0.07526%0.26CS..Hα-helixtrans-59.7-32.9177.8-62.1-13.8000112.2P35 F111 W113 A125 A129 F130 N131P35-N127 WeakPolarHBondContact CD-OD1 3.32Å; F111-N127 VanDerWaalsContact CD1-OD1 3.24Å; F111-N127 WeakPolarHBondContact CD1-OD1 3.42Å; W113-N127 HydrophobicContact CE3-CB 4.23Å; W113-N127 HydrophobicContact CZ3-CB 4.29Å; A125-N127 PolarHBondContact O-N 3.01Å; N127-A129 PolarHBondContact O-N 3.26Å; N127-F130 PolarHBondContact O-N 3.22Å; N127-N131 PolarHBondContact O-N 3.32Å
128D88.4Confident81.1Confident12 Ų1247 Ų476%0.06426%0.261CS..Hα-helixtrans-67.1-26.9-178.9-69.9-44.1000112.4T117 Y124 A125 L126 F130 N131 R132 G133 K172T117-D128 HydrophobicContact CG2-CB 4.45Å; T117-D128 VanDerWaalsContact OG1-CG 3.3Å; T117-D128 PolarHBondContact OG1-OD1 2.84Å; T117-D128 PolarHBondContact OG1-OD2 3.02Å; Y124-D128 HydrophobicContact CD1-CB 4.34Å; A125-D128 WeakPolarHBondContact O-CB 3.45Å; A125-D128 PolarHBondContact O-N 3.33Å; A125-D128 VanDerWaalsContact O-N 3.12Å; L126-D128 PolarHBondContact O-N 2.88Å; D128-F130 PolarHBondContact O-N 3.09Å; D128-N131 PolarHBondContact O-N 3.27Å; D128-R132 PolarHBondContact O-N 3.23Å; D128-G133 PolarHBondContact O-N 3.42Å; D128-K172 IonicContact OD1-NZ 2.92Å; D128-K172 IonicContact OD2-NZ 2.79Å; D128-K172 PolarHBondContact OD2-NZ 3.2Å
129A88Confident81.5Confident0 Ų044.7 Ų44.70%024%0.242CC..Iπ-helixtrans-57.3-39.717700000111.7A39 Y124 L126 N127 G133 L134A39-A129 HydrophobicContact CB-CB 3.92Å; A39-A129 WeakPolarHBondContact CB-O 3.08Å; Y124-A129 WeakPolarHBondContact O-CB 3.34Å; L126-A129 VanDerWaalsContact O-CB 3.26Å; L126-A129 WeakPolarHBondContact O-CB 3.43Å; L126-A129 PolarHBondContact O-N 3.28Å; N127-A129 PolarHBondContact O-N 3.26Å; A129-G133 WeakPolarHBondContact O-CA 3.39Å; A129-G133 PolarHBondContact O-N 3.44Å; A129-L134 PolarHBondContact O-N 3.46Å
130F77.3Confident81.9Confident8 Ų840.8 Ų40.84%0.03521%0.214CC..Iπ-helixtrans-84-43.4177.1-68.2-69.5000113.2P35 C37 I53 N127 D128 R132 I140 W142 L296P35-F130 HydrophobicContact CB-CD2 4.36Å; P35-F130 HydrophobicContact CB-CE2 3.64Å; P35-F130 HydrophobicContact CG-CD2 4.03Å; P35-F130 HydrophobicContact CG-CE2 3.82Å; C37-F130 VanDerWaalsContact SG-CE2 3.54Å; I53-F130 HydrophobicContact CD1-CE1 3.84Å; I53-F130 HydrophobicContact CD1-CZ 4.42Å; I53-F130 HydrophobicContact CG1-CE1 4.19Å; N127-F130 PolarHBondContact O-N 3.22Å; D128-F130 PolarHBondContact O-N 3.09Å; F130-R132 PolarHBondContact O-N 3.32Å; F130-I140 HydrophobicContact CD1-CD1 3.65Å; F130-I140 HydrophobicContact CE1-CD1 3.82Å; F130-W142 HydrophobicContact CE1-CZ2 4.4Å; F130-W142 HydrophobicContact CE2-CH2 4.23Å; F130-W142 HydrophobicContact CE2-CZ2 4.4Å; F130-W142 AromaticContact CZ-CH2 3.81Å; F130-W142 HydrophobicContact CZ-CH2 3.81Å; F130-W142 AromaticContact CZ-CZ2 3.58Å; F130-W142 HydrophobicContact CZ-CZ2 3.58Å; F130-L296 HydrophobicContact CB-CD2 3.5Å; F130-L296 HydrophobicContact CD1-CB 3.92Å; F130-L296 HydrophobicContact CD1-CD1 4.22Å; F130-L296 HydrophobicContact CD1-CD2 3.7Å; F130-L296 HydrophobicContact CD1-CG 4.14Å; F130-L296 HydrophobicContact CD2-CD2 4Å; F130-L296 HydrophobicContact CE1-CB 4.21Å; F130-L296 HydrophobicContact CE1-CD1 4.01Å; F130-L296 HydrophobicContact CE1-CD2 4.33Å; F130-L296 HydrophobicContact CE1-CG 4.4Å; F130-L296 HydrophobicContact CE2-CD1 4.41Å; F130-L296 HydrophobicContact CG-CD2 3.5Å; F130-L296 VanDerWaalsContact CG-CD2 3.5Å; F130-L296 HydrophobicContact CG-CG 4.39Å; F130-L296 HydrophobicContact CZ-CD1 4.09Å
131N72.8Confident82.3Confident27 Ų2740.5 Ų40.514%0.14420%0.202CC..Iπ-helixtrans-59.8-47.1-176.1-94.2-18.8000114W113 N127 D128 K135W113-N131 HydrophobicContact CE3-CB 4.43Å; W113-N131 HydrophobicContact CZ3-CB 4.39Å; W113-N131 WeakPolarHBondContact CZ3-OD1 3.49Å; N127-N131 PolarHBondContact O-N 3.32Å; D128-N131 PolarHBondContact O-N 3.27Å; N131-K135 WeakPolarHBondContact O-CD 3.43Å
132R72.5Confident82.6Confident62 Ų6237.2 Ų37.223%0.23419%0.186CC..Iπ-helixtrans-111.8-45.6-172.4-65-59.2-167.1108.24.1110.7S115 T117 S119 Y124 D128 F130 L134 K135 D136S115-R132 PolarHBondContact O-NH2 2.92Å; S115-R132 VanDerWaalsContact O-NH2 3.08Å; T117-R132 PolarHBondContact O-NH2 3.11Å; S119-R132 PolarHBondContact OG-NH1 2.79Å; S119-R132 VanDerWaalsContact OG-NH1 3.08Å; Y124-R132 HydrophobicContact CD1-CB 4.08Å; Y124-R132 HydrophobicContact CD2-CB 4.08Å; Y124-R132 HydrophobicContact CE1-CB 3.89Å; Y124-R132 HydrophobicContact CE1-CG 4.31Å; Y124-R132 HydrophobicContact CE2-CB 3.86Å; Y124-R132 HydrophobicContact CG-CB 4.16Å; D128-R132 PolarHBondContact O-N 3.23Å; F130-R132 PolarHBondContact O-N 3.32Å; R132-L134 PolarHBondContact O-N 3.39Å; R132-K135 PolarHBondContact O-N 3.29Å; R132-D136 WeakPolarHBondContact O-CB 3.45Å; R132-D136 PolarHBondContact O-N 2.99Å
133G68.2Low82.8Confident0 Ų030.5 Ų30.50%016%0.155CC..Iπ-helixtrans-53.8-51.9-177.700000112.7D128 A129 K135 D136 G137 Y138D128-G133 PolarHBondContact O-N 3.42Å; A129-G133 WeakPolarHBondContact O-CA 3.39Å; A129-G133 PolarHBondContact O-N 3.44Å; G133-K135 PolarHBondContact O-N 3.19Å; G133-D136 PolarHBondContact O-N 3.41Å; G133-G137 PolarHBondContact O-N 2.92Å; G133-Y138 VanDerWaalsContact O-CB 3.29Å; G133-Y138 WeakPolarHBondContact O-CB 3.34Å; G133-Y138 PolarHBondContact O-N 3.3Å
134L66.9Low82.9Confident62 Ų6229 Ų2933%0.32515%0.149SC..THydrogen-bonded Turntrans-65.9-37.6-178.6-164.868.1000113A129 R132 I140A129-L134 PolarHBondContact O-N 3.46Å; R132-L134 PolarHBondContact O-N 3.39Å; L134-I140 HydrophobicContact CB-CD1 4.41Å; L134-I140 HydrophobicContact CD1-CD1 4.13Å
135K68Low82.8Confident173 Ų17330.4 Ų30.475%0.75215%0.154SC*.THydrogen-bonded Turntrans-69.3-37.6179-67.3-173.2-175.8176.20112.4N131 R132 G133 G137N131-K135 WeakPolarHBondContact O-CD 3.43Å; R132-K135 PolarHBondContact O-N 3.29Å; G133-K135 PolarHBondContact O-N 3.19Å; K135-G137 VanDerWaalsContact C-N 3.29Å; K135-G137 PolarHBondContact O-N 2.92Å
136D70.6Confident82.8Confident81 Ų8132.8 Ų32.843%0.43316%0.163SC..THydrogen-bonded Turntrans-87.65.7-177.6-63.2-14.2000112.7Y124 R132 G133 Y138Y124-D136 PolarHBondContact OH-OD2 3.3Å; R132-D136 WeakPolarHBondContact O-CB 3.45Å; R132-D136 PolarHBondContact O-N 2.99Å; G133-D136 PolarHBondContact O-N 3.41Å; D136-Y138 HydrophobicContact CB-CD2 3.62Å; D136-Y138 HydrophobicContact CB-CE2 3.49Å; D136-Y138 VanDerWaalsContact CB-CE2 3.49Å
137G76.6Confident82.8Confident44 Ų4433.4 Ų33.445%0.45417%0.169SC..THydrogen-bonded Turntrans7824.9177.800000115.4G133 K135G133-G137 PolarHBondContact O-N 2.92Å; K135-G137 VanDerWaalsContact C-N 3.29Å; K135-G137 PolarHBondContact O-N 2.92Å
138Y84.6Confident83.1Confident19 Ų1933.9 Ų33.98%0.07517%0.171CC..PPolyproline II helixtrans-79.1153177.5-70.7-132.6000110.4R40 K41 Q121 Y124 G133 D136R40-Y138 WeakPolarHBondContact O-CA 3.47Å; R40-Y138 WeakPolarHBondContact O-CB 3.24Å; K41-Y138 HydrophobicContact CB-CE1 4.39Å; K41-Y138 HydrophobicContact CD-CE1 4.47Å; K41-Y138 WeakPolarHBondContact CE-OH 3.45Å; K41-Y138 HydrophobicContact CG-CD1 4.07Å; K41-Y138 HydrophobicContact CG-CE1 3.42Å; K41-Y138 VanDerWaalsContact CG-CE1 3.42Å; K41-Y138 HydrophobicContact CG-CE2 4.22Å; K41-Y138 VanDerWaalsContact N-CD1 3.33Å; Q121-Y138 PolarHBondContact O-OH 3.39Å; Y124-Y138 AromaticContact CD2-CD1 3.93Å; Y124-Y138 HydrophobicContact CD2-CD1 3.93Å; Y124-Y138 AromaticContact CD2-CE1 3.82Å; Y124-Y138 HydrophobicContact CD2-CE1 3.82Å; Y124-Y138 HydrophobicContact CD2-CG 4.43Å; Y124-Y138 HydrophobicContact CE2-CD1 4.14Å; Y124-Y138 HydrophobicContact CE2-CD2 4.42Å; Y124-Y138 AromaticContact CE2-CE1 3.68Å; Y124-Y138 HydrophobicContact CE2-CE1 3.68Å; Y124-Y138 HydrophobicContact CE2-CE2 4.01Å; Y124-Y138 AromaticContact CE2-CZ 3.61Å; G133-Y138 VanDerWaalsContact O-CB 3.29Å; G133-Y138 WeakPolarHBondContact O-CB 3.34Å; G133-Y138 PolarHBondContact O-N 3.3Å; D136-Y138 HydrophobicContact CB-CD2 3.62Å; D136-Y138 HydrophobicContact CB-CE2 3.49Å; D136-Y138 VanDerWaalsContact CB-CE2 3.49Å
139H83.8Confident83.4Confident39 Ų3933.5 Ų33.518%0.18117%0.169CC..EExtended strand (participates in β ladder)trans-86.6124.4175.2-173-63.7000110.1A39 R40 C49 N141A39-H139 CarbonylContact C-O 3.56Å; A39-H139 VanDerWaalsContact CA-O 3.27Å; A39-H139 WeakPolarHBondContact CA-O 3.37Å; R40-H139 PolarHBondContact N-O 3.1Å; R40-H139 PolarHBondContact O-N 2.71Å; C49-H139 WeakPolarHBondContact CB-NE2 3.41Å; C49-H139 PolarHBondContact O-CD2 3.32Å; C49-H139 PolarHBondContact O-NE2 2.72Å; H139-N141 PolarHBondContact CE1-OD1 3.47Å; H139-N141 PolarHBondContact ND1-OD1 2.7Å
140I85.9Confident83.5Confident8 Ų834 Ų344%0.04117%0.172CC..EExtended strand (participates in β ladder)trans-86.2126176.3-58.8179.6000109.7C37 I38 A39 F130 L134C37-I140 HydrophobicContact CB-CG2 4.05Å; I38-I140 CarbonylContact O-C 3.55Å; I38-I140 WeakPolarHBondContact O-CA 3.32Å; A39-I140 HydrophobicContact CB-CG1 4.24Å; F130-I140 HydrophobicContact CD1-CD1 3.65Å; F130-I140 HydrophobicContact CE1-CD1 3.82Å; L134-I140 HydrophobicContact CB-CD1 4.41Å; L134-I140 HydrophobicContact CD1-CD1 4.13Å
141N89Confident83.8Confident38 Ų3839.4 Ų39.420%0.20321%0.206CC..EExtended strand (participates in β ladder)trans-113.3145.7174.4-68.3-12.1000110.5C37 I38 H139 D161C37-N141 VanDerWaalsContact CA-O 3.27Å; C37-N141 WeakPolarHBondContact CA-O 3.39Å; C37-N141 WeakPolarHBondContact CB-O 3.34Å; I38-N141 HydrophobicContact CG2-CB 3.98Å; I38-N141 PolarHBondContact N-O 3.01Å; I38-N141 PolarHBondContact O-N 2.65Å; H139-N141 PolarHBondContact CE1-OD1 3.47Å; H139-N141 PolarHBondContact ND1-OD1 2.7Å; N141-D161 PolarHBondContact ND2-OD2 2.94Å
142W91.6Very high83.9Confident3 Ų342.1 Ų42.11%0.01123%0.227CC..  trans-118.6104.5172.2-63.685.3000108.9F19 P35 C37 I53 F130 M144 R145F19-W142 AromaticContact CD2-CH2 3.66Å; F19-W142 HydrophobicContact CD2-CH2 3.66Å; F19-W142 HydrophobicContact CD2-CZ2 4.39Å; F19-W142 AromaticContact CD2-CZ3 3.83Å; F19-W142 HydrophobicContact CD2-CZ3 3.83Å; F19-W142 HydrophobicContact CE1-CH2 4.47Å; F19-W142 AromaticContact CE2-CH2 3.44Å; F19-W142 HydrophobicContact CE2-CH2 3.44Å; F19-W142 VanDerWaalsContact CE2-CH2 3.44Å; F19-W142 HydrophobicContact CE2-CZ2 4.04Å; F19-W142 HydrophobicContact CE2-CZ3 4.09Å; F19-W142 HydrophobicContact CG-CH2 4.28Å; F19-W142 HydrophobicContact CG-CZ3 4.11Å; F19-W142 AromaticContact CZ-CH2 3.88Å; F19-W142 HydrophobicContact CZ-CH2 3.88Å; F19-W142 WeakPolarHBondContact O-CZ3 3.15Å; P35-W142 HydrophobicContact CB-CH2 4.22Å; P35-W142 HydrophobicContact CB-CZ3 4.37Å; C37-W142 HydrophobicContact CB-CD2 3.74Å; C37-W142 HydrophobicContact CB-CE3 3.68Å; C37-W142 HydrophobicContact CB-CG 4.39Å; C37-W142 HydrophobicContact CB-CH2 4.03Å; C37-W142 HydrophobicContact CB-CZ2 4.11Å; C37-W142 HydrophobicContact CB-CZ3 3.81Å; I53-W142 HydrophobicContact CG2-CZ2 4.31Å; F130-W142 HydrophobicContact CE1-CZ2 4.4Å; F130-W142 HydrophobicContact CE2-CH2 4.23Å; F130-W142 HydrophobicContact CE2-CZ2 4.4Å; F130-W142 AromaticContact CZ-CH2 3.81Å; F130-W142 HydrophobicContact CZ-CH2 3.81Å; F130-W142 AromaticContact CZ-CZ2 3.58Å; F130-W142 HydrophobicContact CZ-CZ2 3.58Å; W142-M144 PolarHBondContact O-N 3.35Å; W142-R145 VanDerWaalsContact CG-CZ 3.44Å; W142-R145 VanDerWaalsContact CG-NH2 3.26Å
143P93.9Very high84Confident2 Ų241.4 Ų41.41%0.01323%0.234CC..SBendtrans-64.3-15-174.2-2839.8000114.3H36 L149 S150 V158 D161 L162 I165H36-P143 VanDerWaalsContact O-CD 3.31Å; H36-P143 WeakPolarHBondContact O-CD 3.35Å; P143-L149 WeakPolarHBondContact O-CA 3.27Å; P143-S150 PolarHBondContact O-N 3.34Å; P143-V158 HydrophobicContact CB-CG1 3.95Å; P143-V158 WeakPolarHBondContact O-CG1 3.49Å; P143-D161 HydrophobicContact CB-CB 4.37Å; P143-D161 HydrophobicContact CG-CB 3.62Å; P143-L162 HydrophobicContact CB-CD2 3.71Å; P143-L162 HydrophobicContact CB-CG 3.83Å; P143-L162 HydrophobicContact CG-CD2 4.33Å; P143-I165 HydrophobicContact CG-CD1 3.63Å
144M94.2Very high84.8Confident11 Ų1146.5 Ų46.55%0.05426%0.261CS..EExtended strand (participates in β ladder)trans-129.1142.6-179.9-65.9-172.778.300112.8P16 H36 W142 F148 L149P16-M144 HydrophobicContact CB-SD 3.7Å; P16-M144 HydrophobicContact CG-SD 4.33Å; H36-M144 VanDerWaalsContact CE1-SD 3.53Å; W142-M144 PolarHBondContact O-N 3.35Å; M144-F148 CarbonylContact C-O 3.41Å; M144-F148 WeakPolarHBondContact CA-O 3.48Å; M144-F148 WeakPolarHBondContact CB-O 3.46Å; M144-L149 HydrophobicContact CG-CD2 4Å
145R92.1Very high85.9Confident33 Ų3347 Ų4713%0.12526%0.259CS..EExtended strand (participates in β ladder)trans-141.3133.9177.1-67.4-65.4-174.8-144.710110.2E51 W142 G147 F148E51-R145 IonicContact OE2-CZ 3.3Å; E51-R145 IonicContact OE2-NE 2.81Å; E51-R145 IonicContact OE2-NH2 3.91Å; E51-R145 PolarHBondContact OE2-NH2 2.7Å; W142-R145 VanDerWaalsContact CG-CZ 3.44Å; W142-R145 VanDerWaalsContact CG-NH2 3.26Å; R145-G147 PolarHBondContact O-N 3.01Å; R145-F148 PolarHBondContact N-O 3.36Å; R145-F148 PolarHBondContact O-N 3.4Å
146Y92.2Very high87Confident53 Ų5343.8 Ų43.821%0.20826%0.255CS..THydrogen-bonded Turntrans48.535.6177.1-58.9-84.2000114.9S18 R56 F148 Q241 K242S18-Y146 PolarHBondContact OG-N 3.47Å; S18-Y146 VanDerWaalsContact OG-N 3.11Å; R56-Y146 PolarHBondContact NE-OH 3.34Å; R56-Y146 PolarHBondContact NH2-OH 3.33Å; Y146-F148 VanDerWaalsContact O-CD2 3.25Å; Y146-F148 WeakPolarHBondContact O-CD2 3.5Å; Y146-F148 WeakPolarHBondContact O-CE2 3.41Å; Y146-Q241 HydrophobicContact CD1-CB 3.96Å; Y146-Q241 WeakPolarHBondContact CD1-O 3.07Å; Y146-Q241 HydrophobicContact CE1-CB 3.97Å; Y146-Q241 WeakPolarHBondContact CE1-O 3.35Å; Y146-Q241 HydrophobicContact CG-CB 4.47Å; Y146-Q241 VanDerWaalsContact N-OE1 3.17Å; Y146-K242 HydrophobicContact CD1-CB 4.41Å
147G93.1Very high87.9Confident12 Ų1241.8 Ų41.812%0.12425%0.249CC..THydrogen-bonded Turntrans84.6-1.8-17800000116.6S18 R145S18-G147 PolarHBondContact OG-N 2.94Å; R145-G147 PolarHBondContact O-N 3.01Å
148F95.2Very high88.8Confident25 Ų2539.9 Ų39.911%0.1123%0.229CC..EExtended strand (participates in β ladder)trans-118166.1-178.9-56.5-75.3000111.6M144 R145 Y146 V193 K195 E198 I260 T390M144-F148 CarbonylContact C-O 3.41Å; M144-F148 WeakPolarHBondContact CA-O 3.48Å; M144-F148 WeakPolarHBondContact CB-O 3.46Å; R145-F148 PolarHBondContact N-O 3.36Å; R145-F148 PolarHBondContact O-N 3.4Å; Y146-F148 VanDerWaalsContact O-CD2 3.25Å; Y146-F148 WeakPolarHBondContact O-CD2 3.5Å; Y146-F148 WeakPolarHBondContact O-CE2 3.41Å; F148-V193 HydrophobicContact CZ-CG1 4.09Å; F148-K195 HydrophobicContact CD1-CD 3.91Å; F148-K195 HydrophobicContact CD1-CG 3.88Å; F148-K195 HydrophobicContact CE1-CD 4.36Å; F148-K195 HydrophobicContact CE1-CG 3.91Å; F148-E198 WeakPolarHBondContact CA-OE2 3.29Å; F148-I260 HydrophobicContact CE2-CD1 3.98Å; F148-I260 HydrophobicContact CZ-CD1 3.9Å; F148-T390 HydrophobicContact CE2-CG2 4.24Å; F148-T390 HydrophobicContact CZ-CG2 3.93Å
149L94.7Very high89.3Confident4 Ų439.8 Ų39.82%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-65.1142.1168.6-62.2-171.2000110.8P143 M144 T151 Y155 V158 L162 E198 L202P143-L149 WeakPolarHBondContact O-CA 3.27Å; M144-L149 HydrophobicContact CG-CD2 4Å; L149-T151 PolarHBondContact O-N 3.1Å; L149-Y155 HydrophobicContact CB-CD1 4.36Å; L149-Y155 HydrophobicContact CB-CE1 3.94Å; L149-Y155 HydrophobicContact CD1-CD1 3.79Å; L149-Y155 HydrophobicContact CD1-CE1 3.89Å; L149-Y155 HydrophobicContact CG-CE1 4.47Å; L149-V158 HydrophobicContact CB-CG1 4.14Å; L149-V158 HydrophobicContact CD1-CG1 4.39Å; L149-V158 HydrophobicContact CD2-CG1 4.09Å; L149-V158 HydrophobicContact CG-CG1 4.43Å; L149-L162 HydrophobicContact CD2-CD1 3.67Å; L149-E198 HydrophobicContact CB-CG 4.27Å; L149-E198 HydrophobicContact CD1-CB 4.01Å; L149-E198 HydrophobicContact CD1-CG 3.89Å; L149-E198 HydrophobicContact CG-CB 4.09Å; L149-E198 HydrophobicContact CG-CG 3.91Å; L149-E198 PolarHBondContact N-OE2 3.16Å; L149-L202 HydrophobicContact CD2-CD2 4.47Å
150S90.2Very high89.9Confident10 Ų1041.3 Ų41.37%0.0724%0.237CC..  trans-62.6133.8-179.5-174.90000111.4P143 S152P143-S150 PolarHBondContact O-N 3.34Å; S150-S152 VanDerWaalsContact C-N 3.34Å; S150-S152 PolarHBondContact OG-N 3.2Å; S150-S152 PolarHBondContact OG-OG 3.46Å
151T83.9Confident90.4Very high121 Ų12141.5 Ų41.574%0.74224%0.238SC*.THydrogen-bonded Turntrans-88.4-1.1175.359.10000112.8L149 A153L149-T151 PolarHBondContact O-N 3.1Å; T151-A153 PolarHBondContact O-N 3.47Å
152S74Confident90.8Very high84 Ų8439.7 Ų39.759%0.58723%0.228SC*.THydrogen-bonded Turntrans-70.3-17.6179.461.70000113E51 S150E51-S152 PolarHBondContact OE1-OG 3.33Å; S150-S152 VanDerWaalsContact C-N 3.34Å; S150-S152 PolarHBondContact OG-N 3.2Å; S150-S152 PolarHBondContact OG-OG 3.46Å
153A74.4Confident91.1Very high47 Ų4740.6 Ų40.639%0.38823%0.233SC..SBendtrans-133.2168.6177.900000111.3T151 A157 V158T151-A153 PolarHBondContact O-N 3.47Å; A153-A157 HydrophobicContact CB-CB 4.33Å; A153-V158 HydrophobicContact CB-CG2 4.1Å
154N85.8Confident91.3Very high107 Ų10741.3 Ų41.357%0.57224%0.236SC*.  trans-69.4152.3171.165.347.6000111T156 A157 V158N154-T156 PolarHBondContact O-N 3.14Å; N154-T156 VanDerWaalsContact O-N 3.16Å; N154-T156 PolarHBondContact OD1-N 3.44Å; N154-A157 PolarHBondContact O-N 2.97Å; N154-A157 VanDerWaalsContact O-N 3.12Å; N154-A157 WeakPolarHBondContact OD1-CB 3.23Å; N154-A157 PolarHBondContact OD1-N 2.87Å; N154-V158 PolarHBondContact O-N 3.2Å; N154-V158 VanDerWaalsContact O-N 3.16Å
155Y89.5Confident91.4Very high72 Ų7240.8 Ų40.828%0.28223%0.233SC..Hα-helixtrans-56.9-33.1-178.3-76.9-64.4000113.4L149 A157 V158 L159 E198 Y201L149-Y155 HydrophobicContact CB-CD1 4.36Å; L149-Y155 HydrophobicContact CB-CE1 3.94Å; L149-Y155 HydrophobicContact CD1-CD1 3.79Å; L149-Y155 HydrophobicContact CD1-CE1 3.89Å; L149-Y155 HydrophobicContact CG-CE1 4.47Å; Y155-A157 PolarHBondContact O-N 2.88Å; Y155-V158 PolarHBondContact O-N 3.23Å; Y155-L159 WeakPolarHBondContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CD1 3.21Å; Y155-L159 WeakPolarHBondContact O-CG 3.3Å; Y155-L159 PolarHBondContact O-N 3.44Å; Y155-E198 HydrophobicContact CE1-CG 3.96Å; Y155-E198 PolarHBondContact OH-OE1 3.46Å; Y155-Y201 HydrophobicContact CD1-CD2 4.08Å; Y155-Y201 AromaticContact CD1-CE2 3.95Å; Y155-Y201 HydrophobicContact CD1-CE2 3.95Å; Y155-Y201 AromaticContact CD2-CE2 3.99Å; Y155-Y201 HydrophobicContact CD2-CE2 3.99Å; Y155-Y201 HydrophobicContact CE1-CE2 4.33Å; Y155-Y201 HydrophobicContact CE2-CE2 4.36Å; Y155-Y201 HydrophobicContact CG-CD2 4.25Å; Y155-Y201 AromaticContact CG-CE2 3.77Å; Y155-Y201 HydrophobicContact CG-CE2 3.77Å
156T91Very high91.7Very high107 Ų10739.2 Ų39.266%0.65623%0.228SC*.Hα-helixtrans-61.4-45.1177.9-52.80000112.1N154 L159 Q160N154-T156 PolarHBondContact O-N 3.14Å; N154-T156 VanDerWaalsContact O-N 3.16Å; N154-T156 PolarHBondContact OD1-N 3.44Å; T156-L159 PolarHBondContact O-N 2.98Å; T156-Q160 PolarHBondContact O-N 2.72Å
157A91.4Very high92Very high38 Ų3837.3 Ų37.331%0.31422%0.222SC..Hα-helixtrans-67-43.8177.300000111.4A153 N154 Y155 L159 Q160 D161A153-A157 HydrophobicContact CB-CB 4.33Å; N154-A157 PolarHBondContact O-N 2.97Å; N154-A157 VanDerWaalsContact O-N 3.12Å; N154-A157 WeakPolarHBondContact OD1-CB 3.23Å; N154-A157 PolarHBondContact OD1-N 2.87Å; Y155-A157 PolarHBondContact O-N 2.88Å; A157-L159 VanDerWaalsContact C-N 3.3Å; A157-L159 PolarHBondContact O-N 3.36Å; A157-Q160 WeakPolarHBondContact O-CB 3.33Å; A157-Q160 PolarHBondContact O-N 2.87Å; A157-Q160 VanDerWaalsContact O-N 3.12Å; A157-D161 PolarHBondContact O-N 2.86Å
158V93.9Very high92.1Very high4 Ų438 Ų382%0.02422%0.224CC..Hα-helixtrans-60.3-41.3176.5178.70000111.2P143 L149 A153 N154 Y155 Q160 D161 L162P143-V158 HydrophobicContact CB-CG1 3.95Å; P143-V158 WeakPolarHBondContact O-CG1 3.49Å; L149-V158 HydrophobicContact CB-CG1 4.14Å; L149-V158 HydrophobicContact CD1-CG1 4.39Å; L149-V158 HydrophobicContact CD2-CG1 4.09Å; L149-V158 HydrophobicContact CG-CG1 4.43Å; A153-V158 HydrophobicContact CB-CG2 4.1Å; N154-V158 PolarHBondContact O-N 3.2Å; N154-V158 VanDerWaalsContact O-N 3.16Å; Y155-V158 PolarHBondContact O-N 3.23Å; V158-Q160 VanDerWaalsContact C-N 3.34Å; V158-Q160 PolarHBondContact O-N 3.19Å; V158-D161 PolarHBondContact O-N 2.93Å; V158-L162 HydrophobicContact CG1-CD1 4.34Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.11Å
159L95.9Very high92.2Very high18 Ų1836.8 Ų36.89%0.09422%0.218CC..Hα-helixtrans-70.3-29.3177.1-68.2166.2000112.9Y155 T156 A157 L162 E163 Y201 L202 L205 R209Y155-L159 WeakPolarHBondContact O-CB 3.28Å; Y155-L159 WeakPolarHBondContact O-CD1 3.21Å; Y155-L159 WeakPolarHBondContact O-CG 3.3Å; Y155-L159 PolarHBondContact O-N 3.44Å; T156-L159 PolarHBondContact O-N 2.98Å; A157-L159 VanDerWaalsContact C-N 3.3Å; A157-L159 PolarHBondContact O-N 3.36Å; L159-L162 HydrophobicContact CD2-CD1 4.29Å; L159-E163 WeakPolarHBondContact O-CB 3.46Å; L159-E163 PolarHBondContact O-N 3.07Å; L159-Y201 HydrophobicContact CD1-CD1 4.49Å; L159-Y201 HydrophobicContact CD1-CD2 4.41Å; L159-Y201 HydrophobicContact CD1-CG 3.99Å; L159-L202 HydrophobicContact CD2-CD2 4.44Å; L159-L205 HydrophobicContact CD2-CD2 4.48Å; L159-R209 VanDerWaalsContact CB-NH1 3.31Å; L159-R209 PolarHBondContact O-NH1 3.21Å
160Q95.8Very high92.3Very high71 Ų7136.6 Ų36.633%0.33222%0.217SC..Hα-helixtrans-67-44.5170.5-174.961.146.500110.9T156 A157 V158 L162 E163 D164T156-Q160 PolarHBondContact O-N 2.72Å; A157-Q160 WeakPolarHBondContact O-CB 3.33Å; A157-Q160 PolarHBondContact O-N 2.87Å; A157-Q160 VanDerWaalsContact O-N 3.12Å; V158-Q160 VanDerWaalsContact C-N 3.34Å; V158-Q160 PolarHBondContact O-N 3.19Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.4Å; Q160-E163 PolarHBondContact O-N 3.45Å; Q160-D164 VanDerWaalsContact NE2-CG 3.34Å; Q160-D164 PolarHBondContact NE2-OD1 3.25Å; Q160-D164 PolarHBondContact NE2-OD2 3.34Å; Q160-D164 VanDerWaalsContact NE2-OD2 3.1Å; Q160-D164 PolarHBondContact O-N 2.94Å
161D95.8Very high92.6Very high12 Ų1240.5 Ų40.56%0.06424%0.235CC..Hα-helixtrans-58.8-46.3175-71.2-3.9000111.3I38 R40 N141 P143 A157 V158 E163 D164 I165I38-D161 HydrophobicContact CG2-CB 3.82Å; R40-D161 IonicContact CZ-OD1 3.86Å; R40-D161 IonicContact NE-OD1 2.66Å; R40-D161 PolarHBondContact NE-OD1 3.29Å; R40-D161 IonicContact NH2-OD1 3.78Å; R40-D161 PolarHBondContact NH2-OD1 2.95Å; N141-D161 PolarHBondContact ND2-OD2 2.94Å; P143-D161 HydrophobicContact CB-CB 4.37Å; P143-D161 HydrophobicContact CG-CB 3.62Å; A157-D161 PolarHBondContact O-N 2.86Å; V158-D161 PolarHBondContact O-N 2.93Å; D161-E163 PolarHBondContact O-N 3.05Å; D161-D164 PolarHBondContact O-N 2.86Å; D161-I165 WeakPolarHBondContact O-CB 3.45Å; D161-I165 WeakPolarHBondContact O-CD1 3.38Å; D161-I165 WeakPolarHBondContact O-CG1 3.31Å; D161-I165 PolarHBondContact O-N 3.05Å
162L97.9Very high93.1Very high0 Ų038.3 Ų38.30%022%0.215CC..Hα-helixtrans-62.8-40.9175.8-71.4172.5000112.8H36 P143 L149 V158 L159 Q160 W166 L202 L205H36-L162 VanDerWaalsContact CE1-CD2 3.49Å; H36-L162 WeakPolarHBondContact CE1-CD2 3.44Å; H36-L162 VanDerWaalsContact NE2-CD2 3.3Å; H36-L162 WeakPolarHBondContact NE2-CD2 3.49Å; P143-L162 HydrophobicContact CB-CD2 3.71Å; P143-L162 HydrophobicContact CB-CG 3.83Å; P143-L162 HydrophobicContact CG-CD2 4.33Å; L149-L162 HydrophobicContact CD2-CD1 3.67Å; V158-L162 HydrophobicContact CG1-CD1 4.34Å; V158-L162 WeakPolarHBondContact O-CG 3.39Å; V158-L162 PolarHBondContact O-N 3.11Å; L159-L162 HydrophobicContact CD2-CD1 4.29Å; Q160-L162 VanDerWaalsContact C-N 3.34Å; Q160-L162 PolarHBondContact O-N 3.4Å; L162-W166 HydrophobicContact CD2-CZ2 4.1Å; L162-W166 VanDerWaalsContact O-CB 3.31Å; L162-W166 WeakPolarHBondContact O-CB 3.31Å; L162-W166 PolarHBondContact O-N 2.89Å; L162-L202 HydrophobicContact CD1-CD2 3.62Å; L162-L205 HydrophobicContact CB-CD2 3.73Å
163E98Very high94Very high22 Ų2235.9 Ų35.910%0.10319%0.194CC..Hα-helixtrans-57.9-52175.5-170.9-174.3150.300111L159 Q160 D161 W166 S167 R178 L205 R209 L210L159-E163 WeakPolarHBondContact O-CB 3.46Å; L159-E163 PolarHBondContact O-N 3.07Å; Q160-E163 PolarHBondContact O-N 3.45Å; D161-E163 PolarHBondContact O-N 3.05Å; E163-W166 PolarHBondContact O-N 3.21Å; E163-S167 VanDerWaalsContact O-CB 3.28Å; E163-S167 WeakPolarHBondContact O-CB 3.34Å; E163-S167 PolarHBondContact O-N 3.46Å; E163-S167 PolarHBondContact O-OG 3.03Å; E163-R178 IonicContact OE1-CZ 3.85Å; E163-R178 IonicContact OE1-NH1 3.36Å; E163-R178 PolarHBondContact OE1-NH1 2.93Å; E163-R178 IonicContact OE1-NH2 2.74Å; E163-R178 PolarHBondContact OE1-NH2 3.42Å; E163-L205 HydrophobicContact CB-CD1 3.59Å; E163-L205 HydrophobicContact CG-CD1 3.88Å; E163-R209 IonicContact OE2-CZ 3.75Å; E163-R209 IonicContact OE2-NE 2.72Å; E163-R209 PolarHBondContact OE2-NE 2.82Å; E163-R209 IonicContact OE2-NH2 2.96Å; E163-R209 PolarHBondContact OE2-NH2 3.42Å; E163-L210 HydrophobicContact CG-CD2 3.96Å; E163-L210 HydrophobicContact CG-CG 4.45Å
164D97.7Very high94.9Very high16 Ų1634.2 Ų34.29%0.08618%0.179CC..Hα-helixtrans-66.3-39.6-175.1-68.8-24.6000111.6I38 R40 F123 Q160 D161 S167 T168I38-D164 HydrophobicContact CD1-CB 3.77Å; R40-D164 IonicContact CZ-OD2 3.55Å; R40-D164 IonicContact NH1-OD2 2.62Å; R40-D164 PolarHBondContact NH1-OD2 3.47Å; R40-D164 IonicContact NH2-OD2 3.25Å; R40-D164 PolarHBondContact NH2-OD2 2.93Å; F123-D164 HydrophobicContact CD2-CB 4.29Å; F123-D164 HydrophobicContact CE1-CB 4.16Å; F123-D164 HydrophobicContact CE2-CB 3.77Å; F123-D164 HydrophobicContact CZ-CB 3.69Å; Q160-D164 VanDerWaalsContact NE2-CG 3.34Å; Q160-D164 PolarHBondContact NE2-OD1 3.25Å; Q160-D164 PolarHBondContact NE2-OD2 3.34Å; Q160-D164 VanDerWaalsContact NE2-OD2 3.1Å; Q160-D164 PolarHBondContact O-N 2.94Å; D161-D164 PolarHBondContact O-N 2.86Å; D164-S167 WeakPolarHBondContact CA-OG 3.38Å; D164-S167 PolarHBondContact O-OG 3.25Å; D164-S167 VanDerWaalsContact O-OG 3.1Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.38Å; D164-T168 PolarHBondContact O-N 3.48Å; D164-T168 PolarHBondContact O-OG1 3.21Å
165I97.8Very high95.3Very high0 Ų031.7 Ų31.70%018%0.179CC..Hα-helixtrans-62.3-53.3173.7-70.3168.3000110.4L21 I38 A125 L126 P143 D161 T168 A169L21-I165 HydrophobicContact CD2-CG2 3.88Å; I38-I165 HydrophobicContact CB-CD1 3.98Å; I38-I165 HydrophobicContact CB-CG1 3.87Å; I38-I165 HydrophobicContact CD1-CG1 4.38Å; I38-I165 HydrophobicContact CG2-CD1 4.25Å; A125-I165 HydrophobicContact CB-CG1 4.08Å; L126-I165 HydrophobicContact CD2-CG2 3.56Å; P143-I165 HydrophobicContact CG-CD1 3.63Å; D161-I165 WeakPolarHBondContact O-CB 3.45Å; D161-I165 WeakPolarHBondContact O-CD1 3.38Å; D161-I165 WeakPolarHBondContact O-CG1 3.31Å; D161-I165 PolarHBondContact O-N 3.05Å; I165-T168 PolarHBondContact O-N 2.62Å; I165-A169 WeakPolarHBondContact O-CB 3.18Å; I165-A169 PolarHBondContact O-N 2.91Å
166W98.4Very high95.6Very high1 Ų128.3 Ų28.30%0.00417%0.165CC..Hα-helixtrans-70.6-36.6-173.9-651.5000111.5I14 P16 H36 L162 E163 T168 A169 L170 L188 L202 L205 L206 L210I14-W166 HydrophobicContact CG2-CD2 4.28Å; I14-W166 HydrophobicContact CG2-CE3 4.42Å; I14-W166 HydrophobicContact CG2-CH2 4.33Å; I14-W166 HydrophobicContact CG2-CZ2 4.23Å; I14-W166 HydrophobicContact CG2-CZ3 4.45Å; P16-W166 HydrophobicContact CB-CZ2 3.79Å; P16-W166 HydrophobicContact CG-CH2 4.47Å; P16-W166 HydrophobicContact CG-CZ2 4.04Å; H36-W166 AromaticContact CE1-NE1 3.9Å; H36-W166 AromaticContact NE2-CD1 3.94Å; H36-W166 AromaticContact NE2-NE1 3.12Å; H36-W166 PolarHBondContact NE2-NE1 2.73Å; H36-W166 VanDerWaalsContact NE2-NE1 3.12Å; L162-W166 HydrophobicContact CD2-CZ2 4.1Å; L162-W166 VanDerWaalsContact O-CB 3.31Å; L162-W166 WeakPolarHBondContact O-CB 3.31Å; L162-W166 PolarHBondContact O-N 2.89Å; E163-W166 PolarHBondContact O-N 3.21Å; W166-T168 VanDerWaalsContact C-N 3.35Å; W166-A169 PolarHBondContact O-N 2.97Å; W166-L170 WeakPolarHBondContact O-CB 3.18Å; W166-L170 WeakPolarHBondContact O-CD1 3.2Å; W166-L170 WeakPolarHBondContact O-CG 3.41Å; W166-L170 PolarHBondContact O-N 2.99Å; W166-L188 HydrophobicContact CH2-CD1 4.27Å; W166-L202 HydrophobicContact CH2-CD2 3.81Å; W166-L202 HydrophobicContact CZ2-CD2 4.4Å; W166-L205 HydrophobicContact CE3-CD2 3.85Å; W166-L205 HydrophobicContact CE3-CG 4.42Å; W166-L205 HydrophobicContact CH2-CD2 4.35Å; W166-L205 HydrophobicContact CZ3-CD2 3.75Å; W166-L205 HydrophobicContact CZ3-CG 4.36Å; W166-L206 HydrophobicContact CE3-CD2 3.93Å; W166-L206 HydrophobicContact CZ3-CD1 4.49Å; W166-L206 HydrophobicContact CZ3-CD2 3.8Å; W166-L206 HydrophobicContact CZ3-CG 4.02Å; W166-L210 HydrophobicContact CB-CD1 4.17Å; W166-L210 HydrophobicContact CE3-CD1 4.09Å
167S97.3Very high95.8Very high13 Ų1326 Ų269%0.09115%0.152CC..Hα-helixtrans-62.8-43.5172.764.50000111.1E163 D164 A169 L170 E171E163-S167 VanDerWaalsContact O-CB 3.28Å; E163-S167 WeakPolarHBondContact O-CB 3.34Å; E163-S167 PolarHBondContact O-N 3.46Å; E163-S167 PolarHBondContact O-OG 3.03Å; D164-S167 WeakPolarHBondContact CA-OG 3.38Å; D164-S167 PolarHBondContact O-OG 3.25Å; D164-S167 VanDerWaalsContact O-OG 3.1Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 3.15Å; S167-L170 PolarHBondContact O-N 3.33Å; S167-E171 WeakPolarHBondContact O-CB 3.33Å; S167-E171 WeakPolarHBondContact O-CG 3.49Å; S167-E171 PolarHBondContact O-N 3.25Å
168T96.3Very high95.9Very high25 Ų2527.7 Ų27.715%0.15315%0.151CC..Hα-helixtrans-61.1-45.3175.9-57.30000110.9A125 L126 D164 I165 W166 L170 K172A125-T168 HydrophobicContact CB-CG2 4.21Å; L126-T168 HydrophobicContact CD1-CG2 4.24Å; D164-T168 VanDerWaalsContact O-CB 3.27Å; D164-T168 WeakPolarHBondContact O-CB 3.38Å; D164-T168 PolarHBondContact O-N 3.48Å; D164-T168 PolarHBondContact O-OG1 3.21Å; I165-T168 PolarHBondContact O-N 2.62Å; W166-T168 VanDerWaalsContact C-N 3.35Å; T168-L170 PolarHBondContact O-N 2.89Å; T168-K172 HydrophobicContact CG2-CB 4.43Å; T168-K172 WeakPolarHBondContact O-CB 3.35Å; T168-K172 PolarHBondContact O-N 3.5Å
169A97Very high96Very high0 Ų032.1 Ų32.10%018%0.181CC..Iπ-helixtrans-59.9-46.9177.600000111.9L21 I23 L126 I165 W166 S167 H173 V174L21-A169 HydrophobicContact CD2-CB 4.12Å; I23-A169 HydrophobicContact CD1-CB 4.06Å; I23-A169 HydrophobicContact CG2-CB 3.96Å; L126-A169 HydrophobicContact CD1-CB 3.78Å; L126-A169 HydrophobicContact CD2-CB 4.47Å; I165-A169 WeakPolarHBondContact O-CB 3.18Å; I165-A169 PolarHBondContact O-N 2.91Å; W166-A169 PolarHBondContact O-N 2.97Å; S167-A169 VanDerWaalsContact C-N 3.35Å; S167-A169 PolarHBondContact O-N 3.15Å; A169-H173 CarbonylContact O-C 3.41Å; A169-H173 WeakPolarHBondContact O-CA 3.36Å; A169-H173 WeakPolarHBondContact O-CB 3.43Å; A169-H173 PolarHBondContact O-N 3.05Å; A169-V174 WeakPolarHBondContact O-CG2 3.46Å; A169-V174 PolarHBondContact O-N 2.87Å
170L97.4Very high96Very high0 Ų034.7 Ų34.70%020%0.195CC..Iπ-helixtrans-65.1-49.3-178.7-71.1165.9000112.1V12 I23 W166 S167 T168 V174 G175 I176 L181 F212V12-L170 HydrophobicContact CG1-CD2 3.82Å; V12-L170 HydrophobicContact CG2-CD2 4.36Å; I23-L170 HydrophobicContact CD1-CD2 3.85Å; I23-L170 HydrophobicContact CD1-CG 3.97Å; I23-L170 HydrophobicContact CG1-CD2 4.47Å; W166-L170 WeakPolarHBondContact O-CB 3.18Å; W166-L170 WeakPolarHBondContact O-CD1 3.2Å; W166-L170 WeakPolarHBondContact O-CG 3.41Å; W166-L170 PolarHBondContact O-N 2.99Å; S167-L170 PolarHBondContact O-N 3.33Å; T168-L170 PolarHBondContact O-N 2.89Å; L170-V174 CarbonylContact O-C 3.54Å; L170-V174 WeakPolarHBondContact O-CB 3.41Å; L170-V174 PolarHBondContact O-N 3.17Å; L170-G175 PolarHBondContact O-N 3.19Å; L170-I176 CarbonylContact C-O 3.56Å; L170-I176 PolarHBondContact O-N 3.49Å; L170-L181 HydrophobicContact CD1-CD1 4Å; L170-L181 HydrophobicContact CD1-CD2 4.09Å; L170-L181 HydrophobicContact CD2-CD2 4.47Å; L170-F212 HydrophobicContact CD1-CE2 3.92Å; L170-F212 HydrophobicContact CD1-CZ 3.91Å; L170-F212 HydrophobicContact CD2-CZ 4.19Å
171E95.7Very high96.1Very high93 Ų9331.3 Ų31.344%0.43518%0.18SC..Iπ-helixtrans-74.5-52-175.4-66.4-170.6152.400112S167 I176 R178S167-E171 WeakPolarHBondContact O-CB 3.33Å; S167-E171 WeakPolarHBondContact O-CG 3.49Å; S167-E171 PolarHBondContact O-N 3.25Å; E171-I176 WeakPolarHBondContact CA-O 3.18Å; E171-R178 HydrophobicContact CG-CB 4.45Å; E171-R178 WeakPolarHBondContact OE1-CB 3.31Å; E171-R178 PolarHBondContact OE1-N 3.29Å
172K93.2Very high96.1Very high74 Ų7434 Ų3432%0.32220%0.199SC..Iπ-helixtrans-77.8-43.6-172.8-173.7175.8173174.90112.1E114 T117 D128 T168E114-K172 WeakPolarHBondContact OE2-CE 3.34Å; E114-K172 IonicContact OE2-NZ 3.98Å; E114-K172 PolarHBondContact OE2-NZ 2.99Å; T117-K172 PolarHBondContact OG1-NZ 2.94Å; D128-K172 IonicContact OD1-NZ 2.92Å; D128-K172 IonicContact OD2-NZ 2.79Å; D128-K172 PolarHBondContact OD2-NZ 3.2Å; T168-K172 HydrophobicContact CG2-CB 4.43Å; T168-K172 WeakPolarHBondContact O-CB 3.35Å; T168-K172 PolarHBondContact O-N 3.5Å
173H93.3Very high96Very high33 Ų3339.2 Ų39.215%0.15323%0.227CC..Iπ-helixtrans-104.7-39-169.8-60.6-72.6000113.7K32 F34 L126 A169K32-H173 HydrophobicContact CD-CB 4.43Å; K32-H173 PolarHBondContact NZ-O 3.38Å; F34-H173 HydrophobicContact CE1-CB 4.34Å; F34-H173 AromaticContact CE1-CD2 3.99Å; F34-H173 AromaticContact CE1-CG 3.79Å; F34-H173 AromaticContact CE1-ND1 3.81Å; F34-H173 HydrophobicContact CE2-CB 3.94Å; F34-H173 HydrophobicContact CZ-CB 3.47Å; F34-H173 VanDerWaalsContact CZ-CB 3.47Å; F34-H173 AromaticContact CZ-CD2 3.85Å; F34-H173 AromaticContact CZ-CG 3.4Å; F34-H173 VanDerWaalsContact CZ-CG 3.4Å; F34-H173 AromaticContact CZ-ND1 3.8Å; L126-H173 VanDerWaalsContact CD1-CD2 3.45Å; L126-H173 WeakPolarHBondContact CD1-CD2 3.39Å; A169-H173 CarbonylContact O-C 3.41Å; A169-H173 WeakPolarHBondContact O-CA 3.36Å; A169-H173 WeakPolarHBondContact O-CB 3.43Å; A169-H173 PolarHBondContact O-N 3.05Å
174V94.3Very high96Very high12 Ų1239.5 Ų39.57%0.07323%0.227CC..Iπ-helixtrans-82.2-22.8176.5-172.20000111.5I23 R25 A169 L170 I176I23-V174 HydrophobicContact CG1-CG2 4.34Å; R25-V174 HydrophobicContact CG-CG1 3.66Å; A169-V174 WeakPolarHBondContact O-CG2 3.46Å; A169-V174 PolarHBondContact O-N 2.87Å; L170-V174 CarbonylContact O-C 3.54Å; L170-V174 WeakPolarHBondContact O-CB 3.41Å; L170-V174 PolarHBondContact O-N 3.17Å; V174-I176 HydrophobicContact CG1-CD1 3.62Å; V174-I176 HydrophobicContact CG1-CG1 4.01Å
175G93.8Very high96Very high55 Ų5542 Ų4257%0.56724%0.236SC*.  trans80.228.4178.500000113.6L170L170-G175 PolarHBondContact O-N 3.19Å
176I96.1Very high96Very high0 Ų042 Ų420%024%0.236CC..  trans-112.9107.2178.5-56.1168.6000109V12 R25 L170 E171 V174 L181 Y184V12-I176 HydrophobicContact CG2-CD1 3.6Å; R25-I176 HydrophobicContact CG-CD1 4.29Å; L170-I176 CarbonylContact C-O 3.56Å; L170-I176 PolarHBondContact O-N 3.49Å; E171-I176 WeakPolarHBondContact CA-O 3.18Å; V174-I176 HydrophobicContact CG1-CD1 3.62Å; V174-I176 HydrophobicContact CG1-CG1 4.01Å; I176-L181 HydrophobicContact CB-CD2 4.4Å; I176-L181 HydrophobicContact CG2-CD2 3.6Å; I176-L181 HydrophobicContact CG2-CG 4.35Å; I176-Y184 HydrophobicContact CD1-CD1 3.87Å; I176-Y184 HydrophobicContact CD1-CE1 3.55Å; I176-Y184 HydrophobicContact CD1-CE2 4.47Å; I176-Y184 HydrophobicContact CD1-CG 4.46Å; I176-Y184 HydrophobicContact CG1-CE1 4.14Å; I176-Y184 HydrophobicContact CG1-CE2 4.46Å; I176-Y184 HydrophobicContact CG2-CD2 3.85Å; I176-Y184 HydrophobicContact CG2-CE2 3.57Å; I176-Y184 HydrophobicContact CG2-CG 4.46Å
177P95.2Very high96Very high59 Ų5942 Ų4238%0.38324%0.235SC..  trans-59.3142.1174.3-23.533.5000111.5S179 N180P177-S179 PolarHBondContact O-N 2.87Å; P177-S179 VanDerWaalsContact O-N 3.14Å; P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.31Å
178R94Very high96Very high74 Ų7441.3 Ų41.328%0.27923%0.231SC..G310 helixtrans-56.8-32.5179.7179171.9-173.4144.2-1.2114E163 E171 N180 L181 R209E163-R178 IonicContact OE1-CZ 3.85Å; E163-R178 IonicContact OE1-NH1 3.36Å; E163-R178 PolarHBondContact OE1-NH1 2.93Å; E163-R178 IonicContact OE1-NH2 2.74Å; E163-R178 PolarHBondContact OE1-NH2 3.42Å; E171-R178 HydrophobicContact CG-CB 4.45Å; E171-R178 WeakPolarHBondContact OE1-CB 3.31Å; E171-R178 PolarHBondContact OE1-N 3.29Å; R178-N180 PolarHBondContact O-N 3.47Å; R178-L181 HydrophobicContact CB-CD1 4.37Å; R178-L181 HydrophobicContact CG-CD1 4.22Å; R178-L181 PolarHBondContact O-N 2.87Å; R178-R209 PolarHBondContact NH2-O 2.82Å
179S95.6Very high96.1Very high96 Ų9640.2 Ų40.267%0.67122%0.224SC*.G310 helixtrans-61.1-25.2175.654.20000113.6P177P177-S179 PolarHBondContact O-N 2.87Å; P177-S179 VanDerWaalsContact O-N 3.14Å
180N96.1Very high96.1Very high72 Ų7240.6 Ų40.639%0.38523%0.226SC..G310 helixtrans-94.7-9.6-176.7-70.5-10.6000113.3P177 R178 S182 N183 Y184P177-N180 WeakPolarHBondContact O-CB 3.47Å; P177-N180 PolarHBondContact O-N 3.31Å; R178-N180 PolarHBondContact O-N 3.47Å; N180-S182 PolarHBondContact O-N 2.86Å; N180-S182 VanDerWaalsContact O-N 3.07Å; N180-N183 WeakPolarHBondContact O-CB 3.4Å; N180-N183 PolarHBondContact O-N 2.92Å; N180-Y184 HydrophobicContact CB-CE2 4.48Å; N180-Y184 WeakPolarHBondContact O-CD2 3.38Å
181L97.1Very high96Very high1 Ų141.7 Ų41.71%0.00523%0.234CC..G310 helixtrans-59.5-23.6-175.2-69.7175000113.5L170 I176 R178 N183 Y184 L210 K211 F212 G213L170-L181 HydrophobicContact CD1-CD1 4Å; L170-L181 HydrophobicContact CD1-CD2 4.09Å; L170-L181 HydrophobicContact CD2-CD2 4.47Å; I176-L181 HydrophobicContact CB-CD2 4.4Å; I176-L181 HydrophobicContact CG2-CD2 3.6Å; I176-L181 HydrophobicContact CG2-CG 4.35Å; R178-L181 HydrophobicContact CB-CD1 4.37Å; R178-L181 HydrophobicContact CG-CD1 4.22Å; R178-L181 PolarHBondContact O-N 2.87Å; L181-N183 PolarHBondContact O-N 3.46Å; L181-N183 VanDerWaalsContact O-N 3.16Å; L181-Y184 PolarHBondContact O-N 3.29Å; L181-L210 HydrophobicContact CD1-CB 4.28Å; L181-L210 WeakPolarHBondContact CD1-O 3.45Å; L181-K211 CarbonylContact C-O 3.55Å; L181-F212 HydrophobicContact CD1-CE2 4.3Å; L181-F212 HydrophobicContact CD2-CE1 3.91Å; L181-F212 HydrophobicContact CD2-CE2 4.14Å; L181-F212 HydrophobicContact CD2-CZ 3.67Å; L181-F212 WeakPolarHBondContact O-CA 3.47Å; L181-G213 PolarHBondContact O-N 3.35Å
182S96.8Very high96Very high67 Ų6737.4 Ų37.447%0.46921%0.214SC..G310 helixtrans-60.5-23.8173.559.90000113.7N180 K211 G213N180-S182 PolarHBondContact O-N 2.86Å; N180-S182 VanDerWaalsContact O-N 3.07Å; S182-K211 WeakPolarHBondContact CA-O 3.35Å; S182-K211 PolarHBondContact N-O 2.83Å; S182-K211 VanDerWaalsContact N-O 3.1Å; S182-G213 VanDerWaalsContact O-CA 3.28Å; S182-G213 WeakPolarHBondContact O-CA 3.24Å
183N95.9Very high96.2Very high110 Ų11034 Ų3459%0.58820%0.199SC*.G310 helixtrans-87.7-8.2176.9-58.3-30.6000112.6N180 L181N180-N183 WeakPolarHBondContact O-CB 3.4Å; N180-N183 PolarHBondContact O-N 2.92Å; L181-N183 PolarHBondContact O-N 3.46Å; L181-N183 VanDerWaalsContact O-N 3.16Å
184Y97.5Very high96.2Very high29 Ų2933.1 Ų33.111%0.11420%0.195CC..  trans-103.3157-179.1-72.5-99000111.7N10 V12 R25 I176 N180 L181 G213N10-Y184 HydrophobicContact CB-CD1 4.32Å; N10-Y184 CarbonylContact O-C 3.52Å; N10-Y184 VanDerWaalsContact O-CA 3.29Å; N10-Y184 WeakPolarHBondContact O-CA 3.5Å; V12-Y184 HydrophobicContact CG2-CD1 4.01Å; R25-Y184 PolarHBondContact NH2-OH 2.98Å; I176-Y184 HydrophobicContact CD1-CD1 3.87Å; I176-Y184 HydrophobicContact CD1-CE1 3.55Å; I176-Y184 HydrophobicContact CD1-CE2 4.47Å; I176-Y184 HydrophobicContact CD1-CG 4.46Å; I176-Y184 HydrophobicContact CG1-CE1 4.14Å; I176-Y184 HydrophobicContact CG1-CE2 4.46Å; I176-Y184 HydrophobicContact CG2-CD2 3.85Å; I176-Y184 HydrophobicContact CG2-CE2 3.57Å; I176-Y184 HydrophobicContact CG2-CG 4.46Å; N180-Y184 HydrophobicContact CB-CE2 4.48Å; N180-Y184 WeakPolarHBondContact O-CD2 3.38Å; L181-Y184 PolarHBondContact O-N 3.29Å; Y184-G213 PolarHBondContact O-N 2.89Å
185R96.9Very high96.1Very high68 Ų6836.1 Ų36.126%0.25721%0.207SC..EExtended strand (participates in β ladder)trans-111.1144.8170.6-46.8-177.5-174.61783.1108.8L7 N10 V11 V12 R214 W590L7-R185 VanDerWaalsContact CD2-NH1 3.34Å; N10-R185 PolarHBondContact O-N 2.94Å; V11-R185 CarbonylContact C-O 3.58Å; V11-R185 WeakPolarHBondContact CA-O 3.38Å; V11-R185 HydrophobicContact CG2-CB 4.18Å; V12-R185 PolarHBondContact N-O 2.9Å; R185-R214 CarbonylContact C-O 3.52Å; R185-R214 WeakPolarHBondContact CA-O 3.29Å; R185-R214 HydrophobicContact CB-CB 4.28Å; R185-R214 HydrophobicContact CG-CB 4.11Å; R185-W590 HydrophobicContact CB-CE3 4Å; R185-W590 HydrophobicContact CB-CH2 3.78Å; R185-W590 HydrophobicContact CB-CZ3 3.49Å; R185-W590 VanDerWaalsContact CB-CZ3 3.49Å; R185-W590 HydrophobicContact CG-CZ3 4.42Å
186A97.9Very high95.9Very high0 Ų034.5 Ų34.50%018%0.184CC..EExtended strand (participates in β ladder)trans-112.8128.2175.900000111.2V12 I14 L206 F212 R214 V215 F216V12-A186 CarbonylContact O-C 3.54Å; V12-A186 VanDerWaalsContact O-CA 3.29Å; V12-A186 WeakPolarHBondContact O-CA 3.31Å; I14-A186 HydrophobicContact CD1-CB 4.35Å; A186-L206 HydrophobicContact CB-CD1 4.36Å; A186-L206 HydrophobicContact CB-CD2 4.36Å; A186-F212 HydrophobicContact CB-CD1 3.68Å; A186-F212 HydrophobicContact CB-CD2 4.21Å; A186-F212 HydrophobicContact CB-CE1 3.8Å; A186-F212 HydrophobicContact CB-CE2 4.32Å; A186-F212 HydrophobicContact CB-CG 3.88Å; A186-F212 HydrophobicContact CB-CZ 4.12Å; A186-R214 PolarHBondContact N-O 2.87Å; A186-V215 HydrophobicContact CB-CG2 4.25Å; A186-V215 CarbonylContact O-C 3.51Å; A186-V215 VanDerWaalsContact O-CA 3.27Å; A186-V215 WeakPolarHBondContact O-CA 3.42Å; A186-F216 PolarHBondContact O-N 3.2Å
187I97.7Very high95.6Very high0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-92.1116.9161.8-61.3178.6000107.1V11 V12 I13 I14 V189 F216 A577 L581 I586 W590V11-I187 HydrophobicContact CG1-CD1 3.84Å; V11-I187 HydrophobicContact CG1-CG1 3.81Å; V12-I187 PolarHBondContact O-N 3.09Å; I13-I187 HydrophobicContact CG1-CB 4.09Å; I13-I187 HydrophobicContact CG1-CD1 4.17Å; I14-I187 PolarHBondContact N-O 3.1Å; I187-V189 HydrophobicContact CG2-CG2 4.04Å; I187-F216 CarbonylContact C-O 3.36Å; I187-F216 WeakPolarHBondContact CA-O 3.32Å; I187-F216 HydrophobicContact CG1-CD1 4.21Å; I187-F216 HydrophobicContact CG2-CD1 4.14Å; I187-A577 HydrophobicContact CG2-CB 4.41Å; I187-L581 HydrophobicContact CD1-CD1 4.4Å; I187-L581 HydrophobicContact CD1-CD2 3.94Å; I187-L581 HydrophobicContact CD1-CG 4.02Å; I187-I586 HydrophobicContact CD1-CD1 4.26Å; I187-W590 HydrophobicContact CD1-CH2 4.38Å; I187-W590 HydrophobicContact CG1-CH2 3.77Å; I187-W590 HydrophobicContact CG1-CZ3 4.31Å
188L98.4Very high95.5Very high0 Ų033.3 Ų33.30%017%0.174CC..EExtended strand (participates in β ladder)trans-95.8107.8173179.964.6000108.9I14 P16 W166 I190 L202 V203 L206 F216 V217 H218I14-L188 WeakPolarHBondContact O-CA 3.41Å; P16-L188 HydrophobicContact CG-CD1 4.14Å; W166-L188 HydrophobicContact CH2-CD1 4.27Å; L188-I190 HydrophobicContact CD2-CG2 4.02Å; L188-I190 HydrophobicContact CG-CG2 3.78Å; L188-L202 HydrophobicContact CD2-CB 3.8Å; L188-L202 HydrophobicContact CD2-CD1 4.28Å; L188-V203 HydrophobicContact CD2-CG2 4.42Å; L188-L206 HydrophobicContact CB-CD1 4.04Å; L188-L206 HydrophobicContact CD1-CD1 4.35Å; L188-L206 HydrophobicContact CD2-CD1 4.17Å; L188-L206 HydrophobicContact CG-CD1 4.41Å; L188-F216 PolarHBondContact N-O 3.34Å; L188-V217 HydrophobicContact CB-CG2 4.37Å; L188-V217 HydrophobicContact CD2-CG2 4.39Å; L188-V217 WeakPolarHBondContact O-CA 3.35Å; L188-H218 PolarHBondContact O-N 3.07Å
189V98Very high95.5Very high2 Ų230.2 Ų30.21%0.01216%0.163CC..EExtended strand (participates in β ladder)trans-88.2118.3175.6-177.70000108.8I13 I14 E15 P16 I187 H218 A220 A577I13-V189 HydrophobicContact CG2-CG2 3.98Å; I14-V189 PolarHBondContact O-N 2.8Å; E15-V189 HydrophobicContact CB-CB 3.91Å; E15-V189 HydrophobicContact CB-CG1 4.49Å; E15-V189 HydrophobicContact CB-CG2 4.5Å; E15-V189 HydrophobicContact CG-CB 3.85Å; E15-V189 HydrophobicContact CG-CG1 3.92Å; P16-V189 WeakPolarHBondContact CD-O 3.42Å; I187-V189 HydrophobicContact CG2-CG2 4.04Å; V189-H218 CarbonylContact C-O 3.52Å; V189-H218 WeakPolarHBondContact CA-O 3.26Å; V189-A220 HydrophobicContact CG1-CB 3.86Å; V189-A577 HydrophobicContact CG2-CB 3.84Å
190I97.3Very high95.4Very high8 Ų828.9 Ų28.94%0.04114%0.143CC..EExtended strand (participates in β ladder)trans-111.5158.3-174.665.9166.5000111.7L188 Y194 I199 V217 H218 Q219 A220 F610L188-I190 HydrophobicContact CD2-CG2 4.02Å; L188-I190 HydrophobicContact CG-CG2 3.78Å; I190-Y194 HydrophobicContact CD1-CD1 3.89Å; I190-Y194 HydrophobicContact CD1-CE1 4.32Å; I190-Y194 HydrophobicContact CD1-CG 4.04Å; I190-I199 HydrophobicContact CB-CD1 4.08Å; I190-I199 HydrophobicContact CD1-CD1 4.13Å; I190-I199 HydrophobicContact CD1-CG1 4.14Å; I190-I199 HydrophobicContact CG2-CD1 3.66Å; I190-V217 HydrophobicContact CD1-CG1 3.86Å; I190-V217 HydrophobicContact CG1-CG1 4.1Å; I190-V217 HydrophobicContact CG2-CG1 3.84Å; I190-H218 WeakPolarHBondContact CG1-O 3.37Å; I190-H218 PolarHBondContact N-O 2.95Å; I190-Q219 HydrophobicContact CG1-CG 4.36Å; I190-Q219 CarbonylContact O-C 3.53Å; I190-Q219 WeakPolarHBondContact O-CA 3.21Å; I190-A220 WeakPolarHBondContact O-CB 3.3Å; I190-A220 PolarHBondContact O-N 2.94Å; I190-F610 HydrophobicContact CD1-CE2 4.4Å; I190-F610 HydrophobicContact CD1-CZ 3.82Å
191S95.9Very high95.4Very high22 Ų2228.1 Ų28.115%0.15414%0.135CC..  trans-62.6147.2168.91760000111V193 Y194 K242S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 WeakPolarHBondContact CB-O 3.39Å; S191-V193 PolarHBondContact O-N 3.43Å; S191-V193 PolarHBondContact OG-O 2.8Å; S191-Y194 WeakPolarHBondContact O-CD1 3.44Å; S191-K242 PolarHBondContact OG-NZ 3.31Å
192D96.1Very high95.4Very high3 Ų328.3 Ų28.32%0.01614%0.136CC..SBendtrans-66.2-33.1-178.6-52.4-78.5000112.9Y194 Q219 S221 S246 R258D192-Y194 WeakPolarHBondContact O-CD1 3.31Å; D192-Q219 WeakPolarHBondContact OD1-CB 3.42Å; D192-S221 VanDerWaalsContact CG-CB 3.5Å; D192-S221 VanDerWaalsContact CG-OG 3.23Å; D192-S221 WeakPolarHBondContact OD1-CB 3.14Å; D192-S221 PolarHBondContact OD1-N 2.76Å; D192-S221 PolarHBondContact OD1-OG 3.09Å; D192-S221 PolarHBondContact OD2-N 3.16Å; D192-S246 VanDerWaalsContact CB-OG 3.3Å; D192-S246 WeakPolarHBondContact CB-OG 3.36Å; D192-R258 WeakPolarHBondContact O-CD 3.41Å; D192-R258 PolarHBondContact O-NH1 3.38Å
193V96Very high95.5Very high3 Ų325.1 Ų25.12%0.01811%0.114CC..SBendtrans-96.1121163.8179.20000108F148 S191 R258 I260 T390 Q392F148-V193 HydrophobicContact CZ-CG1 4.09Å; S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 WeakPolarHBondContact CB-O 3.39Å; S191-V193 PolarHBondContact O-N 3.43Å; S191-V193 PolarHBondContact OG-O 2.8Å; V193-R258 HydrophobicContact CG2-CB 3.58Å; V193-I260 HydrophobicContact CB-CD1 3.59Å; V193-I260 HydrophobicContact CB-CG1 3.85Å; V193-I260 HydrophobicContact CG1-CD1 3.89Å; V193-I260 HydrophobicContact CG1-CG1 4.35Å; V193-I260 HydrophobicContact CG2-CD1 4.35Å; V193-I260 HydrophobicContact CG2-CG1 4.04Å; V193-T390 HydrophobicContact CG1-CG2 4.15Å; V193-Q392 VanDerWaalsContact CA-OE1 3.29Å; V193-Q392 HydrophobicContact CG2-CB 4.35Å
194Y93.8Very high95.5Very high14 Ų1423.6 Ų23.66%0.05510%0.103CC..  trans-145.1159.1-17559.8-90.3000112I190 S191 D192 R196 I199 Q392 F610 P611 W612I190-Y194 HydrophobicContact CD1-CD1 3.89Å; I190-Y194 HydrophobicContact CD1-CE1 4.32Å; I190-Y194 HydrophobicContact CD1-CG 4.04Å; S191-Y194 WeakPolarHBondContact O-CD1 3.44Å; D192-Y194 WeakPolarHBondContact O-CD1 3.31Å; Y194-R196 HydrophobicContact CE2-CG 4.37Å; Y194-I199 HydrophobicContact CD2-CG1 3.92Å; Y194-I199 HydrophobicContact CG-CG1 4.22Å; Y194-Q392 PolarHBondContact O-NE2 2.99Å; Y194-Q392 PolarHBondContact O-OE1 3.19Å; Y194-F610 HydrophobicContact CE1-CD2 4.36Å; Y194-F610 AromaticContact CE1-CE2 3.98Å; Y194-F610 HydrophobicContact CE1-CE2 3.98Å; Y194-F610 HydrophobicContact CE2-CE2 4.47Å; Y194-F610 AromaticContact CZ-CE2 3.7Å; Y194-F610 WeakPolarHBondContact OH-CD2 3.34Å; Y194-F610 WeakPolarHBondContact OH-CE2 3.49Å; Y194-P611 PolarHBondContact OH-O 2.95Å; Y194-W612 HydrophobicContact CE2-CE3 4.26Å; Y194-W612 HydrophobicContact CE2-CZ3 4.03Å; Y194-W612 PolarHBondContact OH-OXT 2.95Å
195K91.6Very high95.6Very high76 Ų7622.2 Ų22.233%0.3310%0.098SC..  trans-100.2128.2168.1-65.5172.5-172.8167.90109.9F148 N197 E198 I199F148-K195 HydrophobicContact CD1-CD 3.91Å; F148-K195 HydrophobicContact CD1-CG 3.88Å; F148-K195 HydrophobicContact CE1-CD 4.36Å; F148-K195 HydrophobicContact CE1-CG 3.91Å; K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N197 WeakPolarHBondContact CB-OD1 3.34Å; K195-N197 PolarHBondContact O-N 2.79Å; K195-E198 HydrophobicContact CB-CB 4.29Å; K195-E198 HydrophobicContact CB-CG 3.99Å; K195-E198 HydrophobicContact CD-CG 4.26Å; K195-E198 VanDerWaalsContact CD-OE1 3.31Å; K195-E198 WeakPolarHBondContact CD-OE1 3.48Å; K195-E198 IonicContact NZ-OE1 2.82Å; K195-E198 PolarHBondContact NZ-OE1 2.94Å; K195-E198 PolarHBondContact O-N 3.39Å; K195-I199 PolarHBondContact O-N 2.94Å
196R90Very high95.6Very high21 Ų2119 Ų198%0.0799%0.085CC..Hα-helixtrans-56.7-44.5-175.9-65.8165.8-177.1-76.2-23.9112.9Y194 E198 I199 R200 S395 D402 W612Y194-R196 HydrophobicContact CE2-CG 4.37Å; R196-E198 PolarHBondContact O-N 2.83Å; R196-I199 PolarHBondContact O-N 2.93Å; R196-R200 PolarHBondContact O-N 3.02Å; R196-S395 VanDerWaalsContact NH2-CB 3.31Å; R196-S395 PolarHBondContact NH2-OG 3.26Å; R196-D402 WeakPolarHBondContact CD-OD1 3.48Å; R196-D402 IonicContact CZ-OD2 2.63Å; R196-D402 IonicContact NE-OD2 3.64Å; R196-D402 IonicContact NH1-OD1 2.75Å; R196-D402 IonicContact NH1-OD2 3.32Å; R196-D402 PolarHBondContact NH1-OD2 3.18Å; R196-W612 HydrophobicContact CB-CH2 4.45Å; R196-W612 HydrophobicContact CB-CZ2 3.88Å; R196-W612 HydrophobicContact CG-CZ2 4.15Å; R196-W612 VanDerWaalsContact CZ-C 3.41Å; R196-W612 VanDerWaalsContact NH1-CD1 3.28Å; R196-W612 PolarHBondContact NH1-O 2.93Å; R196-W612 PolarHBondContact NH1-OXT 3.47Å; R196-W612 PolarHBondContact NH2-O 3.28Å; R196-W612 PolarHBondContact NH2-OXT 3.25Å
197N89.2Confident95.7Very high27 Ų2719.2 Ų19.214%0.1449%0.086CC..Hα-helixtrans-62.9-40.3179.661.4-12.3000112.3K195 R200 Y201 E400K195-N197 VanDerWaalsContact C-N 3.34Å; K195-N197 WeakPolarHBondContact CB-OD1 3.34Å; K195-N197 PolarHBondContact O-N 2.79Å; N197-R200 WeakPolarHBondContact O-CB 3.29Å; N197-R200 PolarHBondContact O-N 2.97Å; N197-Y201 HydrophobicContact CB-CE2 4.32Å; N197-Y201 WeakPolarHBondContact O-CD2 3.39Å; N197-Y201 PolarHBondContact O-N 2.9Å; N197-E400 PolarHBondContact ND2-OE1 3.04Å
198E93.6Very high95.7Very high6 Ų621.3 Ų21.33%0.02810%0.098CC..Hα-helixtrans-64.1-46.5176.7-63.4-174-178.900111F148 L149 Y155 K195 R196 R200 Y201 L202F148-E198 WeakPolarHBondContact CA-OE2 3.29Å; L149-E198 HydrophobicContact CB-CG 4.27Å; L149-E198 HydrophobicContact CD1-CB 4.01Å; L149-E198 HydrophobicContact CD1-CG 3.89Å; L149-E198 HydrophobicContact CG-CB 4.09Å; L149-E198 HydrophobicContact CG-CG 3.91Å; L149-E198 PolarHBondContact N-OE2 3.16Å; Y155-E198 HydrophobicContact CE1-CG 3.96Å; Y155-E198 PolarHBondContact OH-OE1 3.46Å; K195-E198 HydrophobicContact CB-CB 4.29Å; K195-E198 HydrophobicContact CB-CG 3.99Å; K195-E198 HydrophobicContact CD-CG 4.26Å; K195-E198 VanDerWaalsContact CD-OE1 3.31Å; K195-E198 WeakPolarHBondContact CD-OE1 3.48Å; K195-E198 IonicContact NZ-OE1 2.82Å; K195-E198 PolarHBondContact NZ-OE1 2.94Å; K195-E198 PolarHBondContact O-N 3.39Å; R196-E198 PolarHBondContact O-N 2.83Å; E198-R200 VanDerWaalsContact C-N 3.32Å; E198-R200 PolarHBondContact O-N 3.47Å; E198-Y201 WeakPolarHBondContact O-CA 3.42Å; E198-Y201 WeakPolarHBondContact O-CB 3.42Å; E198-Y201 PolarHBondContact O-N 2.87Å; E198-L202 WeakPolarHBondContact O-CG 3.37Å; E198-L202 PolarHBondContact O-N 3.48Å
199I94.8Very high95.6Very high10 Ų1024 Ų245%0.05111%0.108CC..Hα-helixtrans-62.9-39176.6-58.1-46.1000111.4I190 Y194 K195 R196 Y201 L202 V203 V217 L604 W612I190-I199 HydrophobicContact CB-CD1 4.08Å; I190-I199 HydrophobicContact CD1-CD1 4.13Å; I190-I199 HydrophobicContact CD1-CG1 4.14Å; I190-I199 HydrophobicContact CG2-CD1 3.66Å; Y194-I199 HydrophobicContact CD2-CG1 3.92Å; Y194-I199 HydrophobicContact CG-CG1 4.22Å; K195-I199 PolarHBondContact O-N 2.94Å; R196-I199 PolarHBondContact O-N 2.93Å; I199-Y201 VanDerWaalsContact C-N 3.28Å; I199-Y201 PolarHBondContact O-N 3.36Å; I199-L202 HydrophobicContact CD1-CD1 4.23Å; I199-L202 PolarHBondContact O-N 2.9Å; I199-V203 HydrophobicContact CG2-CG2 4.31Å; I199-V203 WeakPolarHBondContact O-CG2 3.3Å; I199-V203 PolarHBondContact O-N 3.43Å; I199-V217 HydrophobicContact CG2-CG1 4.27Å; I199-L604 HydrophobicContact CG2-CD1 4.46Å; I199-W612 HydrophobicContact CB-CH2 3.69Å; I199-W612 HydrophobicContact CB-CZ3 4.14Å; I199-W612 HydrophobicContact CG1-CH2 4.46Å; I199-W612 HydrophobicContact CG2-CH2 3.6Å; I199-W612 HydrophobicContact CG2-CZ3 3.71Å
200R93.7Very high95.6Very high67 Ų6723.9 Ų23.925%0.25311%0.107SC..Hα-helixtrans-56.3-43.9171.3172.6-178.766.2-171.5-5.9111.4R196 N197 E198 H204 E400 W596R196-R200 PolarHBondContact O-N 3.02Å; N197-R200 WeakPolarHBondContact O-CB 3.29Å; N197-R200 PolarHBondContact O-N 2.97Å; E198-R200 VanDerWaalsContact C-N 3.32Å; E198-R200 PolarHBondContact O-N 3.47Å; R200-H204 WeakPolarHBondContact O-CB 3.41Å; R200-H204 PolarHBondContact O-N 3.24Å; R200-E400 IonicContact CZ-OE2 2.7Å; R200-E400 IonicContact NH1-OE2 3.09Å; R200-E400 IonicContact NH2-OE2 3.41Å; R200-E400 PolarHBondContact NH2-OE2 2.91Å; R200-W596 HydrophobicContact CB-CH2 4.18Å; R200-W596 HydrophobicContact CG-CH2 3.75Å; R200-W596 HydrophobicContact CG-CZ2 3.76Å; R200-W596 WeakPolarHBondContact O-CZ2 3.37Å
201Y94.9Very high95.6Very high57 Ų5730 Ų3022%0.22413%0.133CC..Hα-helixtrans-65.9-39.7177.8-58-33.3000112.6Y155 L159 N197 E198 I199 H204 L205Y155-Y201 HydrophobicContact CD1-CD2 4.08Å; Y155-Y201 AromaticContact CD1-CE2 3.95Å; Y155-Y201 HydrophobicContact CD1-CE2 3.95Å; Y155-Y201 AromaticContact CD2-CE2 3.99Å; Y155-Y201 HydrophobicContact CD2-CE2 3.99Å; Y155-Y201 HydrophobicContact CE1-CE2 4.33Å; Y155-Y201 HydrophobicContact CE2-CE2 4.36Å; Y155-Y201 HydrophobicContact CG-CD2 4.25Å; Y155-Y201 AromaticContact CG-CE2 3.77Å; Y155-Y201 HydrophobicContact CG-CE2 3.77Å; L159-Y201 HydrophobicContact CD1-CD1 4.49Å; L159-Y201 HydrophobicContact CD1-CD2 4.41Å; L159-Y201 HydrophobicContact CD1-CG 3.99Å; N197-Y201 HydrophobicContact CB-CE2 4.32Å; N197-Y201 WeakPolarHBondContact O-CD2 3.39Å; N197-Y201 PolarHBondContact O-N 2.9Å; E198-Y201 WeakPolarHBondContact O-CA 3.42Å; E198-Y201 WeakPolarHBondContact O-CB 3.42Å; E198-Y201 PolarHBondContact O-N 2.87Å; I199-Y201 VanDerWaalsContact C-N 3.28Å; I199-Y201 PolarHBondContact O-N 3.36Å; Y201-H204 PolarHBondContact O-N 3.41Å; Y201-L205 VanDerWaalsContact O-CB 3.31Å; Y201-L205 WeakPolarHBondContact O-CB 3.08Å; Y201-L205 PolarHBondContact O-N 3.01Å
202L97.7Very high95.8Very high5 Ų528.9 Ų28.93%0.02613%0.126CC..Hα-helixtrans-66.7-41.5177.2-62.4-176000112.2L149 L159 L162 W166 L188 E198 I199 L205 L206L149-L202 HydrophobicContact CD2-CD2 4.47Å; L159-L202 HydrophobicContact CD2-CD2 4.44Å; L162-L202 HydrophobicContact CD1-CD2 3.62Å; W166-L202 HydrophobicContact CH2-CD2 3.81Å; W166-L202 HydrophobicContact CZ2-CD2 4.4Å; L188-L202 HydrophobicContact CD2-CB 3.8Å; L188-L202 HydrophobicContact CD2-CD1 4.28Å; E198-L202 WeakPolarHBondContact O-CG 3.37Å; E198-L202 PolarHBondContact O-N 3.48Å; I199-L202 HydrophobicContact CD1-CD1 4.23Å; I199-L202 PolarHBondContact O-N 2.9Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.09Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.33Å
203V98Very high95.8Very high0 Ų029.8 Ų29.80%014%0.136CC..Hα-helixtrans-65.1-43176.4173.30000110.8L188 I199 L205 L206 L207 V215 V217 W596 L604L188-V203 HydrophobicContact CD2-CG2 4.42Å; I199-V203 HydrophobicContact CG2-CG2 4.31Å; I199-V203 WeakPolarHBondContact O-CG2 3.3Å; I199-V203 PolarHBondContact O-N 3.43Å; V203-L205 VanDerWaalsContact C-N 3.35Å; V203-L205 PolarHBondContact O-N 3.46Å; V203-L206 PolarHBondContact O-N 2.83Å; V203-L207 HydrophobicContact CG1-CD1 3.72Å; V203-L207 HydrophobicContact CG1-CG 4.41Å; V203-L207 WeakPolarHBondContact O-CB 3.38Å; V203-L207 PolarHBondContact O-N 2.67Å; V203-V215 HydrophobicContact CG2-CG1 4.39Å; V203-V217 HydrophobicContact CG2-CG2 3.73Å; V203-W596 HydrophobicContact CB-CH2 4.01Å; V203-W596 HydrophobicContact CB-CZ2 4.24Å; V203-W596 HydrophobicContact CB-CZ3 4.23Å; V203-W596 HydrophobicContact CG1-CD2 3.89Å; V203-W596 HydrophobicContact CG1-CE3 3.65Å; V203-W596 HydrophobicContact CG1-CH2 3.88Å; V203-W596 HydrophobicContact CG1-CZ2 4.12Å; V203-W596 HydrophobicContact CG1-CZ3 3.66Å; V203-L604 HydrophobicContact CG2-CD1 4.3Å; V203-L604 HydrophobicContact CG2-CD2 4.12Å
204H97.2Very high95.9Very high77 Ų7734.4 Ų34.436%0.35615%0.153SC..Hα-helixtrans-62.1-41.2173.6-17866.8000112.3R200 Y201 L206 N208 W596R200-H204 WeakPolarHBondContact O-CB 3.41Å; R200-H204 PolarHBondContact O-N 3.24Å; Y201-H204 PolarHBondContact O-N 3.41Å; H204-L206 VanDerWaalsContact C-N 3.35Å; H204-L206 PolarHBondContact O-N 2.97Å; H204-N208 VanDerWaalsContact CE1-CB 3.45Å; H204-N208 WeakPolarHBondContact CE1-CB 3.4Å; H204-N208 VanDerWaalsContact ND1-CG 3.27Å; H204-N208 PolarHBondContact ND1-OD1 3.4Å; H204-N208 VanDerWaalsContact ND1-OD1 3.1Å; H204-N208 VanDerWaalsContact O-CB 3.32Å; H204-N208 WeakPolarHBondContact O-CB 3.37Å; H204-N208 PolarHBondContact O-N 2.49Å; H204-W596 HydrophobicContact CB-CZ2 4.06Å; H204-W596 AromaticContact CG-NE1 3.94Å; H204-W596 AromaticContact ND1-NE1 3.46Å; H204-W596 PolarHBondContact ND1-NE1 3.18Å
205L98.1Very high96.1Very high1 Ų133.8 Ų33.81%0.00515%0.151CC..Iπ-helixtrans-57.5-47.1174.5170.462.5000111.1L159 L162 E163 W166 Y201 L202 V203 R209 L210L159-L205 HydrophobicContact CD2-CD2 4.48Å; L162-L205 HydrophobicContact CB-CD2 3.73Å; E163-L205 HydrophobicContact CB-CD1 3.59Å; E163-L205 HydrophobicContact CG-CD1 3.88Å; W166-L205 HydrophobicContact CE3-CD2 3.85Å; W166-L205 HydrophobicContact CE3-CG 4.42Å; W166-L205 HydrophobicContact CH2-CD2 4.35Å; W166-L205 HydrophobicContact CZ3-CD2 3.75Å; W166-L205 HydrophobicContact CZ3-CG 4.36Å; Y201-L205 VanDerWaalsContact O-CB 3.31Å; Y201-L205 WeakPolarHBondContact O-CB 3.08Å; Y201-L205 PolarHBondContact O-N 3.01Å; L202-L205 WeakPolarHBondContact O-CB 3.47Å; L202-L205 PolarHBondContact O-N 3.09Å; V203-L205 VanDerWaalsContact C-N 3.35Å; V203-L205 PolarHBondContact O-N 3.46Å; L205-R209 HydrophobicContact CD1-CB 3.95Å; L205-R209 HydrophobicContact CD1-CG 4.47Å; L205-R209 WeakPolarHBondContact O-CB 3.42Å; L205-R209 PolarHBondContact O-N 2.82Å; L205-L210 HydrophobicContact CD1-CG 4.35Å; L205-L210 HydrophobicContact CG-CD1 4.4Å; L205-L210 PolarHBondContact O-N 3.46Å
206L98.6Very high96.4Very high0 Ų030.3 Ų30.30%014%0.136CC..Iπ-helixtrans-66.6-48.4179.3-68.5169.8000112.7I14 W166 A186 L188 L202 V203 H204 L210 K211 F212 V215I14-L206 HydrophobicContact CD1-CD2 3.46Å; I14-L206 VanDerWaalsContact CD1-CD2 3.46Å; W166-L206 HydrophobicContact CE3-CD2 3.93Å; W166-L206 HydrophobicContact CZ3-CD1 4.49Å; W166-L206 HydrophobicContact CZ3-CD2 3.8Å; W166-L206 HydrophobicContact CZ3-CG 4.02Å; A186-L206 HydrophobicContact CB-CD1 4.36Å; A186-L206 HydrophobicContact CB-CD2 4.36Å; L188-L206 HydrophobicContact CB-CD1 4.04Å; L188-L206 HydrophobicContact CD1-CD1 4.35Å; L188-L206 HydrophobicContact CD2-CD1 4.17Å; L188-L206 HydrophobicContact CG-CD1 4.41Å; L202-L206 WeakPolarHBondContact O-CG 3.32Å; L202-L206 PolarHBondContact O-N 3.33Å; V203-L206 PolarHBondContact O-N 2.83Å; H204-L206 VanDerWaalsContact C-N 3.35Å; H204-L206 PolarHBondContact O-N 2.97Å; L206-L210 HydrophobicContact CD2-CD1 4.08Å; L206-K211 PolarHBondContact O-N 3.02Å; L206-K211 VanDerWaalsContact O-N 3.09Å; L206-F212 HydrophobicContact CB-CD2 4.3Å; L206-F212 HydrophobicContact CD2-CD2 3.87Å; L206-F212 HydrophobicContact CD2-CE2 3.84Å; L206-F212 PolarHBondContact O-N 2.97Å; L206-V215 HydrophobicContact CB-CG2 3.56Å; L206-V215 HydrophobicContact CD1-CG1 4.1Å; L206-V215 HydrophobicContact CD1-CG2 4.02Å; L206-V215 HydrophobicContact CG-CG2 4.42Å
207L98.4Very high96.7Very high4 Ų429.5 Ų29.52%0.02113%0.133CC..Iπ-helixtrans-80-40-173.1-68.7174000113.9V203 K211 V215 I591 P593 W596V203-L207 HydrophobicContact CG1-CD1 3.72Å; V203-L207 HydrophobicContact CG1-CG 4.41Å; V203-L207 WeakPolarHBondContact O-CB 3.38Å; V203-L207 PolarHBondContact O-N 2.67Å; L207-K211 WeakPolarHBondContact O-CA 3.24Å; L207-V215 HydrophobicContact CD1-CB 4.48Å; L207-V215 HydrophobicContact CD1-CG2 4.46Å; L207-V215 HydrophobicContact CD2-CB 4.02Å; L207-V215 HydrophobicContact CD2-CG2 3.52Å; L207-V215 HydrophobicContact CG-CB 4.18Å; L207-V215 HydrophobicContact CG-CG2 3.66Å; L207-I591 HydrophobicContact CD1-CG2 3.82Å; L207-P593 HydrophobicContact CB-CG 4.42Å; L207-P593 HydrophobicContact CD2-CG 3.97Å; L207-W596 HydrophobicContact CD1-CB 3.53Å; L207-W596 HydrophobicContact CD1-CD2 4.24Å; L207-W596 HydrophobicContact CD1-CG 3.75Å
208N97.5Very high97Very high45 Ų4528.6 Ų28.624%0.24113%0.128CC..Iπ-helixtrans-101.5-40.4-170.8-67.375.1000113.3H204 N597H204-N208 VanDerWaalsContact CE1-CB 3.45Å; H204-N208 WeakPolarHBondContact CE1-CB 3.4Å; H204-N208 VanDerWaalsContact ND1-CG 3.27Å; H204-N208 PolarHBondContact ND1-OD1 3.4Å; H204-N208 VanDerWaalsContact ND1-OD1 3.1Å; H204-N208 VanDerWaalsContact O-CB 3.32Å; H204-N208 WeakPolarHBondContact O-CB 3.37Å; H204-N208 PolarHBondContact O-N 2.49Å; N208-N597 PolarHBondContact ND2-OD1 3.26Å
209R97.5Very high97.2Very high55 Ų5528.3 Ų28.321%0.20813%0.126CC..Iπ-helixtrans-87-57.5-176.6-63.5173.765.8165.45.1110.4L159 E163 R178 L205 K211L159-R209 VanDerWaalsContact CB-NH1 3.31Å; L159-R209 PolarHBondContact O-NH1 3.21Å; E163-R209 IonicContact OE2-CZ 3.75Å; E163-R209 IonicContact OE2-NE 2.72Å; E163-R209 PolarHBondContact OE2-NE 2.82Å; E163-R209 IonicContact OE2-NH2 2.96Å; E163-R209 PolarHBondContact OE2-NH2 3.42Å; R178-R209 PolarHBondContact NH2-O 2.82Å; L205-R209 HydrophobicContact CD1-CB 3.95Å; L205-R209 HydrophobicContact CD1-CG 4.47Å; L205-R209 WeakPolarHBondContact O-CB 3.42Å; L205-R209 PolarHBondContact O-N 2.82Å; R209-K211 VanDerWaalsContact C-N 3.31Å
210L98.1Very high97.3Very high0 Ų028.1 Ų28.10%013%0.126CC..SBendtrans-76.1-19176.8-67.5175.2000113.2E163 W166 L181 L205 L206 F212E163-L210 HydrophobicContact CG-CD2 3.96Å; E163-L210 HydrophobicContact CG-CG 4.45Å; W166-L210 HydrophobicContact CB-CD1 4.17Å; W166-L210 HydrophobicContact CE3-CD1 4.09Å; L181-L210 HydrophobicContact CD1-CB 4.28Å; L181-L210 WeakPolarHBondContact CD1-O 3.45Å; L205-L210 HydrophobicContact CD1-CG 4.35Å; L205-L210 HydrophobicContact CG-CD1 4.4Å; L205-L210 PolarHBondContact O-N 3.46Å; L206-L210 HydrophobicContact CD2-CD1 4.08Å; L210-F212 HydrophobicContact CB-CD2 4.09Å; L210-F212 HydrophobicContact CB-CE2 4.3Å; L210-F212 HydrophobicContact CD1-CE2 4.38Å
211K97.9Very high97.5Very high136 Ų13625 Ų2559%0.59112%0.115SC*.  trans6538.2174.5-55.5179.3179.7178.50114.4L181 S182 L206 L207 R209L181-K211 CarbonylContact C-O 3.55Å; S182-K211 WeakPolarHBondContact CA-O 3.35Å; S182-K211 PolarHBondContact N-O 2.83Å; S182-K211 VanDerWaalsContact N-O 3.1Å; L206-K211 PolarHBondContact O-N 3.02Å; L206-K211 VanDerWaalsContact O-N 3.09Å; L207-K211 WeakPolarHBondContact O-CA 3.24Å; R209-K211 VanDerWaalsContact C-N 3.31Å
212F98.5Very high97.5Very high0 Ų022.3 Ų22.30%011%0.105CC..  trans-58.4142.1166.6-84.6-87.1000111V12 I14 L170 L181 A186 L206 L210 R214 V215V12-F212 HydrophobicContact CB-CE1 4.07Å; V12-F212 HydrophobicContact CB-CZ 4.32Å; V12-F212 HydrophobicContact CG2-CE1 4.06Å; V12-F212 HydrophobicContact CG2-CZ 4.42Å; I14-F212 HydrophobicContact CD1-CE2 4.29Å; I14-F212 HydrophobicContact CD1-CZ 4.27Å; L170-F212 HydrophobicContact CD1-CE2 3.92Å; L170-F212 HydrophobicContact CD1-CZ 3.91Å; L170-F212 HydrophobicContact CD2-CZ 4.19Å; L181-F212 HydrophobicContact CD1-CE2 4.3Å; L181-F212 HydrophobicContact CD2-CE1 3.91Å; L181-F212 HydrophobicContact CD2-CE2 4.14Å; L181-F212 HydrophobicContact CD2-CZ 3.67Å; L181-F212 WeakPolarHBondContact O-CA 3.47Å; A186-F212 HydrophobicContact CB-CD1 3.68Å; A186-F212 HydrophobicContact CB-CD2 4.21Å; A186-F212 HydrophobicContact CB-CE1 3.8Å; A186-F212 HydrophobicContact CB-CE2 4.32Å; A186-F212 HydrophobicContact CB-CG 3.88Å; A186-F212 HydrophobicContact CB-CZ 4.12Å; L206-F212 HydrophobicContact CB-CD2 4.3Å; L206-F212 HydrophobicContact CD2-CD2 3.87Å; L206-F212 HydrophobicContact CD2-CE2 3.84Å; L206-F212 PolarHBondContact O-N 2.97Å; L210-F212 HydrophobicContact CB-CD2 4.09Å; L210-F212 HydrophobicContact CB-CE2 4.3Å; L210-F212 HydrophobicContact CD1-CE2 4.38Å; F212-R214 VanDerWaalsContact C-N 3.32Å; F212-R214 PolarHBondContact O-N 3.06Å; F212-V215 HydrophobicContact CB-CG2 4.47Å
213G97.7Very high97.5Very high22 Ų2222.1 Ų22.123%0.22710%0.103CC..SBendtrans-67.5-33.1179.500000113.1L181 S182 Y184 P593L181-G213 PolarHBondContact O-N 3.35Å; S182-G213 VanDerWaalsContact O-CA 3.28Å; S182-G213 WeakPolarHBondContact O-CA 3.24Å; Y184-G213 PolarHBondContact O-N 2.89Å; G213-P593 WeakPolarHBondContact O-CD 3.36Å
214R97.7Very high97.4Very high100 Ų10022.1 Ų22.138%0.37710%0.103SC..EExtended strand (participates in β ladder)trans-152.1153.6177.1-58.8-174.2-176.6-102.8-4.2111.7R185 A186 F212 W590 I591 T592R185-R214 CarbonylContact C-O 3.52Å; R185-R214 WeakPolarHBondContact CA-O 3.29Å; R185-R214 HydrophobicContact CB-CB 4.28Å; R185-R214 HydrophobicContact CG-CB 4.11Å; A186-R214 PolarHBondContact N-O 2.87Å; F212-R214 VanDerWaalsContact C-N 3.32Å; F212-R214 PolarHBondContact O-N 3.06Å; R214-W590 HydrophobicContact CB-CB 4.13Å; R214-W590 HydrophobicContact CB-CD2 4.32Å; R214-W590 HydrophobicContact CB-CE3 3.82Å; R214-W590 HydrophobicContact CB-CG 4.48Å; R214-W590 HydrophobicContact CG-CB 4.42Å; R214-I591 CarbonylContact C-O 3.45Å; R214-I591 VanDerWaalsContact CA-O 3.23Å; R214-I591 WeakPolarHBondContact CA-O 3.43Å; R214-T592 HydrophobicContact CG-CG2 4.23Å
215V97.9Very high97.3Very high0 Ų018.5 Ų18.50%09%0.087CC..EExtended strand (participates in β ladder)trans-128.9139.8173.8172.30000110.5A186 V203 L206 L207 F212 V217 I591A186-V215 HydrophobicContact CB-CG2 4.25Å; A186-V215 CarbonylContact O-C 3.51Å; A186-V215 VanDerWaalsContact O-CA 3.27Å; A186-V215 WeakPolarHBondContact O-CA 3.42Å; V203-V215 HydrophobicContact CG2-CG1 4.39Å; L206-V215 HydrophobicContact CB-CG2 3.56Å; L206-V215 HydrophobicContact CD1-CG1 4.1Å; L206-V215 HydrophobicContact CD1-CG2 4.02Å; L206-V215 HydrophobicContact CG-CG2 4.42Å; L207-V215 HydrophobicContact CD1-CB 4.48Å; L207-V215 HydrophobicContact CD1-CG2 4.46Å; L207-V215 HydrophobicContact CD2-CB 4.02Å; L207-V215 HydrophobicContact CD2-CG2 3.52Å; L207-V215 HydrophobicContact CG-CB 4.18Å; L207-V215 HydrophobicContact CG-CG2 3.66Å; F212-V215 HydrophobicContact CB-CG2 4.47Å; V215-V217 HydrophobicContact CG1-CG2 4.05Å; V215-I591 PolarHBondContact N-O 3.24Å; V215-I591 PolarHBondContact O-N 3.02Å
216F96.5Very high97.1Very high4 Ų422.2 Ų22.22%0.01810%0.101CC..EExtended strand (participates in β ladder)trans-124.9136.3169.1173.9-114.7000108.5A186 I187 L188 H218 L580 I586 L589 W590 P609A186-F216 PolarHBondContact O-N 3.2Å; I187-F216 CarbonylContact C-O 3.36Å; I187-F216 WeakPolarHBondContact CA-O 3.32Å; I187-F216 HydrophobicContact CG1-CD1 4.21Å; I187-F216 HydrophobicContact CG2-CD1 4.14Å; L188-F216 PolarHBondContact N-O 3.34Å; F216-H218 HydrophobicContact CE1-CB 3.95Å; F216-H218 AromaticContact CE1-CD2 3.72Å; F216-H218 HydrophobicContact CZ-CB 4.36Å; F216-H218 AromaticContact CZ-CD2 3.58Å; F216-L580 HydrophobicContact CE1-CD1 4.38Å; F216-I586 HydrophobicContact CD1-CD1 3.48Å; F216-I586 VanDerWaalsContact CD1-CD1 3.48Å; F216-I586 HydrophobicContact CD1-CG1 3.87Å; F216-I586 HydrophobicContact CD2-CG1 4.11Å; F216-I586 HydrophobicContact CE1-CD1 3.57Å; F216-I586 HydrophobicContact CE1-CG1 3.88Å; F216-I586 HydrophobicContact CE2-CG1 4.15Å; F216-I586 HydrophobicContact CG-CD1 4.02Å; F216-I586 HydrophobicContact CG-CG1 3.96Å; F216-I586 HydrophobicContact CZ-CD1 4.19Å; F216-I586 HydrophobicContact CZ-CG1 4Å; F216-L589 HydrophobicContact CD2-CB 3.68Å; F216-L589 HydrophobicContact CE2-CB 3.5Å; F216-L589 HydrophobicContact CE2-CD1 3.71Å; F216-L589 HydrophobicContact CE2-CG 4.26Å; F216-L589 HydrophobicContact CZ-CD1 4.3Å; F216-W590 HydrophobicContact CB-CD2 4.13Å; F216-W590 HydrophobicContact CB-CE3 3.58Å; F216-W590 HydrophobicContact CB-CH2 4.01Å; F216-W590 HydrophobicContact CB-CZ3 3.5Å; F216-P609 HydrophobicContact CE2-CG 4.08Å; F216-P609 HydrophobicContact CZ-CG 3.95Å
217V97.4Very high96.9Very high4 Ų422.9 Ų22.92%0.02411%0.109CC..EExtended strand (participates in β ladder)trans-115.6130.1-176.8-174.20000109.1L188 I190 I199 V203 V215 L604 P609 F610L188-V217 HydrophobicContact CB-CG2 4.37Å; L188-V217 HydrophobicContact CD2-CG2 4.39Å; L188-V217 WeakPolarHBondContact O-CA 3.35Å; I190-V217 HydrophobicContact CD1-CG1 3.86Å; I190-V217 HydrophobicContact CG1-CG1 4.1Å; I190-V217 HydrophobicContact CG2-CG1 3.84Å; I199-V217 HydrophobicContact CG2-CG1 4.27Å; V203-V217 HydrophobicContact CG2-CG2 3.73Å; V215-V217 HydrophobicContact CG1-CG2 4.05Å; V217-L604 HydrophobicContact CB-CD2 4.39Å; V217-L604 HydrophobicContact CG2-CD2 3.85Å; V217-P609 WeakPolarHBondContact O-CD 3.46Å; V217-F610 HydrophobicContact CG1-CE1 4.43Å; V217-F610 HydrophobicContact CG1-CZ 4.19Å
218H96.4Very high96.6Very high7 Ų724.7 Ų24.73%0.03212%0.118CC..EExtended strand (participates in β ladder)trans-141.1147.2177.2-149.2-46.2000112.2L188 V189 I190 F216 V222 L580L188-H218 PolarHBondContact O-N 3.07Å; V189-H218 CarbonylContact C-O 3.52Å; V189-H218 WeakPolarHBondContact CA-O 3.26Å; I190-H218 WeakPolarHBondContact CG1-O 3.37Å; I190-H218 PolarHBondContact N-O 2.95Å; F216-H218 HydrophobicContact CE1-CB 3.95Å; F216-H218 AromaticContact CE1-CD2 3.72Å; F216-H218 HydrophobicContact CZ-CB 4.36Å; F216-H218 AromaticContact CZ-CD2 3.58Å; H218-V222 WeakPolarHBondContact CE1-CG1 3.31Å; H218-L580 HydrophobicContact CB-CD1 4.43Å; H218-L580 WeakPolarHBondContact CD2-CD1 3.29Å
219Q96.8Very high96.4Very high0 Ų025.4 Ų25.40%014%0.136CC..EExtended strand (participates in β ladder)trans-72.9139.7174.4-67.9172.7-9.800112.9I190 D192 V222 C223 R258 F610I190-Q219 HydrophobicContact CG1-CG 4.36Å; I190-Q219 CarbonylContact O-C 3.53Å; I190-Q219 WeakPolarHBondContact O-CA 3.21Å; D192-Q219 WeakPolarHBondContact OD1-CB 3.42Å; Q219-V222 HydrophobicContact CB-CG2 4.36Å; Q219-V222 PolarHBondContact O-N 3.34Å; Q219-C223 PolarHBondContact O-N 3Å; Q219-C223 VanDerWaalsContact O-N 3.09Å; Q219-C223 PolarHBondContact O-SG 3.17Å; Q219-C223 VanDerWaalsContact O-SG 3.33Å; Q219-R258 VanDerWaalsContact NE2-CZ 3.29Å; Q219-F610 HydrophobicContact CG-CD1 3.87Å; Q219-F610 HydrophobicContact CG-CD2 4.39Å; Q219-F610 HydrophobicContact CG-CE1 4.05Å; Q219-F610 HydrophobicContact CG-CG 4.06Å; Q219-F610 HydrophobicContact CG-CZ 4.37Å; Q219-F610 VanDerWaalsContact NE2-CG 3.28Å
220A96.8Very high96.2Very high6 Ų625.4 Ų25.45%0.0514%0.14CC..Hα-helixtrans-65.9-38.5-174.600000113.8V189 I190 C223 A224V189-A220 HydrophobicContact CG1-CB 3.86Å; I190-A220 WeakPolarHBondContact O-CB 3.3Å; I190-A220 PolarHBondContact O-N 2.94Å; A220-C223 PolarHBondContact O-N 3Å; A220-A224 PolarHBondContact O-N 3.26Å
221S97.1Very high96Very high2 Ų229 Ų291%0.01416%0.163CC..Hα-helixtrans-63.5-43.8178.766.70000111.5D192 A224 T225 V248D192-S221 VanDerWaalsContact CG-CB 3.5Å; D192-S221 VanDerWaalsContact CG-OG 3.23Å; D192-S221 WeakPolarHBondContact OD1-CB 3.14Å; D192-S221 PolarHBondContact OD1-N 2.76Å; D192-S221 PolarHBondContact OD1-OG 3.09Å; D192-S221 PolarHBondContact OD2-N 3.16Å; S221-A224 WeakPolarHBondContact O-CA 3.46Å; S221-A224 WeakPolarHBondContact O-CB 3.37Å; S221-A224 PolarHBondContact O-N 2.94Å; S221-T225 WeakPolarHBondContact O-CG2 3.27Å; S221-T225 PolarHBondContact O-N 2.87Å; S221-V248 WeakPolarHBondContact OG-CG2 3.2Å
222V96.6Very high95.9Very high1 Ų122.8 Ų22.81%0.00614%0.137CC..Hα-helixtrans-65-42.2177.2-1780000110.7H218 Q219 A224 T225 Y226 V248 G251 A253H218-V222 WeakPolarHBondContact CE1-CG1 3.31Å; Q219-V222 HydrophobicContact CB-CG2 4.36Å; Q219-V222 PolarHBondContact O-N 3.34Å; V222-A224 VanDerWaalsContact C-N 3.26Å; V222-A224 PolarHBondContact O-N 3.47Å; V222-T225 WeakPolarHBondContact CA-OG1 3.22Å; V222-T225 PolarHBondContact O-N 3.3Å; V222-T225 PolarHBondContact O-OG1 3.16Å; V222-Y226 HydrophobicContact CG1-CD2 3.74Å; V222-Y226 HydrophobicContact CG1-CE2 3.5Å; V222-Y226 WeakPolarHBondContact O-CD2 3.31Å; V222-Y226 PolarHBondContact O-N 3.15Å; V222-V248 HydrophobicContact CG2-CG1 4.19Å; V222-V248 HydrophobicContact CG2-CG2 4.07Å; V222-G251 WeakPolarHBondContact CG1-O 3.19Å; V222-A253 HydrophobicContact CG2-CB 3.97Å
223C96.5Very high95.9Very high0 Ų022.8 Ų22.80%014%0.137CC..Hα-helixtrans-56.7-44.1171.1-66.40000110.7Q219 A220 T225 Y226 G227 S573 G576Q219-C223 PolarHBondContact O-N 3Å; Q219-C223 VanDerWaalsContact O-N 3.09Å; Q219-C223 PolarHBondContact O-SG 3.17Å; Q219-C223 VanDerWaalsContact O-SG 3.33Å; A220-C223 PolarHBondContact O-N 3Å; C223-T225 VanDerWaalsContact C-N 3.32Å; C223-T225 PolarHBondContact O-N 3.33Å; C223-Y226 PolarHBondContact O-N 3.16Å; C223-G227 PolarHBondContact O-N 3.26Å; C223-S573 VanDerWaalsContact CB-O 3.29Å; C223-S573 WeakPolarHBondContact CB-O 3.39Å; C223-G576 VanDerWaalsContact O-CA 3.24Å; C223-G576 WeakPolarHBondContact O-CA 3.39Å
224A95.8Very high95.9Very high0 Ų021.8 Ų21.80%013%0.126CC..Hα-helixtrans-60.9-38.5177.600000113A220 S221 V222 G227 I228 V235 T521 L572A220-A224 PolarHBondContact O-N 3.26Å; S221-A224 WeakPolarHBondContact O-CA 3.46Å; S221-A224 WeakPolarHBondContact O-CB 3.37Å; S221-A224 PolarHBondContact O-N 2.94Å; V222-A224 VanDerWaalsContact C-N 3.26Å; V222-A224 PolarHBondContact O-N 3.47Å; A224-G227 PolarHBondContact O-N 3.5Å; A224-I228 PolarHBondContact O-N 3.41Å; A224-I228 VanDerWaalsContact O-N 3.14Å; A224-V235 HydrophobicContact CB-CG1 4.2Å; A224-T521 HydrophobicContact CB-CG2 4.41Å; A224-L572 HydrophobicContact CB-CB 4.38Å; A224-L572 HydrophobicContact CB-CD2 4.05Å; A224-L572 HydrophobicContact CB-CG 4.07Å; A224-L572 WeakPolarHBondContact O-CG 3.29Å
225T95.9Very high95.9Very high2 Ų217.1 Ų17.11%0.01211%0.109CC..Hα-helixtrans-66.8-37.8176.162.40000112.5S221 V222 C223 G227 I228 G229 L230 A233 V235 V248 I519S221-T225 WeakPolarHBondContact O-CG2 3.27Å; S221-T225 PolarHBondContact O-N 2.87Å; V222-T225 WeakPolarHBondContact CA-OG1 3.22Å; V222-T225 PolarHBondContact O-N 3.3Å; V222-T225 PolarHBondContact O-OG1 3.16Å; C223-T225 VanDerWaalsContact C-N 3.32Å; C223-T225 PolarHBondContact O-N 3.33Å; T225-G227 VanDerWaalsContact C-N 3.35Å; T225-I228 WeakPolarHBondContact O-CG2 3.38Å; T225-G229 PolarHBondContact O-N 3.25Å; T225-L230 CarbonylContact C-O 3.54Å; T225-L230 WeakPolarHBondContact CB-O 3.33Å; T225-L230 PolarHBondContact O-N 3.49Å; T225-A233 HydrophobicContact CG2-CB 4.05Å; T225-V235 HydrophobicContact CG2-CG2 3.59Å; T225-V248 HydrophobicContact CG2-CB 3.79Å; T225-V248 HydrophobicContact CG2-CG1 3.96Å; T225-V248 HydrophobicContact CG2-CG2 3.86Å; T225-I519 HydrophobicContact CG2-CD1 4.05Å
226Y94.2Very high95.8Very high78 Ų7817.1 Ų17.131%0.30611%0.109SC..Hα-helixtrans-63.6-39.6169.1-81.3-74.6000112.5V222 C223 I228 G229 L579 L580V222-Y226 HydrophobicContact CG1-CD2 3.74Å; V222-Y226 HydrophobicContact CG1-CE2 3.5Å; V222-Y226 WeakPolarHBondContact O-CD2 3.31Å; V222-Y226 PolarHBondContact O-N 3.15Å; C223-Y226 PolarHBondContact O-N 3.16Å; Y226-I228 VanDerWaalsContact C-N 3.29Å; Y226-I228 PolarHBondContact O-N 3.16Å; Y226-G229 PolarHBondContact O-N 3.14Å; Y226-L579 WeakPolarHBondContact O-CD1 3.38Å; Y226-L580 HydrophobicContact CD1-CD2 4.04Å; Y226-L580 HydrophobicContact CD2-CD1 4.48Å; Y226-L580 HydrophobicContact CD2-CD2 3.58Å; Y226-L580 HydrophobicContact CD2-CG 4.1Å; Y226-L580 HydrophobicContact CE1-CD2 3.95Å; Y226-L580 HydrophobicContact CE2-CD2 3.49Å; Y226-L580 VanDerWaalsContact CE2-CD2 3.49Å; Y226-L580 HydrophobicContact CE2-CG 4.47Å; Y226-L580 HydrophobicContact CG-CD2 3.88Å; Y226-L580 HydrophobicContact CG-CG 4.26Å
227G93.1Very high95.7Very high15 Ų1518 Ų1816%0.15511%0.113CC..Hα-helixtrans-59.7-38.2179.700000113.1C223 A224 T225C223-G227 PolarHBondContact O-N 3.26Å; A224-G227 PolarHBondContact O-N 3.5Å; T225-G227 VanDerWaalsContact C-N 3.35Å
228I92.9Very high95.6Very high42 Ų4217.9 Ų17.922%0.21511%0.113CC..Hα-helixtrans-90.3-17.7178.3-157.5163.6000113.5A224 T225 Y226 L230 I519 I564 L572A224-I228 PolarHBondContact O-N 3.41Å; A224-I228 VanDerWaalsContact O-N 3.14Å; T225-I228 WeakPolarHBondContact O-CG2 3.38Å; Y226-I228 VanDerWaalsContact C-N 3.29Å; Y226-I228 PolarHBondContact O-N 3.16Å; I228-L230 HydrophobicContact CG2-CB 3.88Å; I228-L230 HydrophobicContact CG2-CD1 3.99Å; I228-L230 HydrophobicContact CG2-CG 3.92Å; I228-I519 HydrophobicContact CD1-CD1 4.5Å; I228-I519 HydrophobicContact CD1-CG1 4.29Å; I228-I519 HydrophobicContact CG2-CD1 3.6Å; I228-I519 HydrophobicContact CG2-CG1 4.48Å; I228-I564 HydrophobicContact CD1-CB 4.11Å; I228-I564 HydrophobicContact CD1-CG2 3.46Å; I228-I564 VanDerWaalsContact CD1-CG2 3.46Å; I228-L572 HydrophobicContact CB-CD1 4.21Å; I228-L572 HydrophobicContact CB-CD2 4.37Å
229G93.2Very high95.5Very high60 Ų6018.3 Ų18.362%0.61912%0.119SC*.THydrogen-bonded Turntrans83.427.1-17900000114.7T225 Y226T225-G229 PolarHBondContact O-N 3.25Å; Y226-G229 PolarHBondContact O-N 3.14Å
230L94Very high95.2Very high55 Ų5519 Ų1929%0.28812%0.122SC..  trans-114.2126.4176.9-66173.7000109.9T225 I228 I564T225-L230 CarbonylContact C-O 3.54Å; T225-L230 WeakPolarHBondContact CB-O 3.33Å; T225-L230 PolarHBondContact O-N 3.49Å; I228-L230 HydrophobicContact CG2-CB 3.88Å; I228-L230 HydrophobicContact CG2-CD1 3.99Å; I228-L230 HydrophobicContact CG2-CG 3.92Å; L230-I564 HydrophobicContact CD1-CD1 3.23Å
231P93Very high95Very high76 Ų7618.9 Ų18.949%0.49412%0.121SC..SBendtrans-76.7-24.3-178.329.9-34.9000113.1D250 G251P231-D250 PolarHBondContact O-N 3.11Å; P231-D250 VanDerWaalsContact O-N 3.1Å; P231-G251 PolarHBondContact O-N 3.45Å
232T96.2Very high94.9Very high5 Ų520 Ų203%0.03113%0.125CC..SBendtrans-130.2125.3-178.1-600000110.2V248 E249 D250 L510 R513 L514T232-V248 CarbonylContact C-O 3.52Å; T232-V248 WeakPolarHBondContact CA-O 3.49Å; T232-V248 WeakPolarHBondContact CG2-O 3.38Å; T232-E249 HydrophobicContact CG2-CB 4.45Å; T232-E249 HydrophobicContact CG2-CG 4.49Å; T232-D250 PolarHBondContact OG1-N 3.45Å; T232-L510 HydrophobicContact CG2-CD1 3.98Å; T232-R513 HydrophobicContact CG2-CG 4.1Å; T232-R513 VanDerWaalsContact OG1-CZ 3.23Å; T232-R513 PolarHBondContact OG1-NH1 3.06Å; T232-R513 PolarHBondContact OG1-NH2 3.19Å; T232-L514 HydrophobicContact CG2-CD2 3.78Å; T232-L514 HydrophobicContact CG2-CG 4.43Å
233A97.5Very high94.9Very high0 Ų020 Ų200%013%0.125CC..EExtended strand (participates in β ladder)trans-163.6156.117800000111.6T225 V248 C517 I519T225-A233 HydrophobicContact CG2-CB 4.05Å; A233-V248 PolarHBondContact N-O 3Å; A233-V248 PolarHBondContact O-N 3.36Å; A233-C517 CarbonylContact C-O 3.54Å; A233-C517 WeakPolarHBondContact CA-O 3.43Å; A233-C517 HydrophobicContact CB-CB 4.26Å; A233-C517 VanDerWaalsContact CB-O 3.27Å; A233-C517 WeakPolarHBondContact CB-O 3.47Å; A233-I519 HydrophobicContact CB-CD1 3.41Å; A233-I519 VanDerWaalsContact CB-CD1 3.41Å; A233-I519 HydrophobicContact CB-CG1 3.92Å
234C97.9Very high94.9Very high0 Ų020.1 Ų20.10%013%0.126CC..EExtended strand (participates in β ladder)trans-90.4111.1163.8-179.40000109.3I472 C517 I518 I519C234-I472 HydrophobicContact CB-CD1 3.98Å; C234-I472 HydrophobicContact CB-CG1 4Å; C234-C517 PolarHBondContact N-O 3.37Å; C234-I518 HydrophobicContact CB-CG1 4.32Å; C234-I518 CarbonylContact O-C 3.51Å; C234-I518 WeakPolarHBondContact O-CA 3.17Å; C234-I519 PolarHBondContact O-N 2.91Å
235V97.5Very high95Very high3 Ų320.1 Ų20.12%0.01813%0.126CC..EExtended strand (participates in β ladder)trans-94.7123.7-177.9-173.70000110.2A224 T225 V245 S246 V248 I519 T521A224-V235 HydrophobicContact CB-CG1 4.2Å; T225-V235 HydrophobicContact CG2-CG2 3.59Å; V235-V245 WeakPolarHBondContact O-CA 3.39Å; V235-S246 PolarHBondContact N-O 3.06Å; V235-S246 PolarHBondContact O-N 3Å; V235-V248 HydrophobicContact CG2-CG2 4.2Å; V235-I519 HydrophobicContact CG2-CB 4.44Å; V235-I519 HydrophobicContact CG2-CD1 4.29Å; V235-T521 HydrophobicContact CG1-CG2 3.62Å
236I96.5Very high95.1Very high0 Ų020 Ų200%013%0.126CC..EExtended strand (participates in β ladder)trans-112.6106.5174.8-55172.2000107.5I238 T243 S244 L464 V468 I518 I519 L520 T521 L537I236-I238 HydrophobicContact CG2-CG1 4.17Å; I236-T243 HydrophobicContact CG2-CG2 3.87Å; I236-S244 CarbonylContact C-O 3.38Å; I236-S244 WeakPolarHBondContact CA-O 3.25Å; I236-L464 HydrophobicContact CG2-CD1 4.27Å; I236-L464 HydrophobicContact CG2-CD2 4.42Å; I236-V468 HydrophobicContact CD1-CB 4.49Å; I236-V468 HydrophobicContact CD1-CG1 4.18Å; I236-V468 HydrophobicContact CD1-CG2 3.45Å; I236-V468 VanDerWaalsContact CD1-CG2 3.45Å; I236-V468 HydrophobicContact CG1-CG2 3.98Å; I236-I518 HydrophobicContact CD1-CG2 3.6Å; I236-I518 HydrophobicContact CG1-CG2 4.22Å; I236-I519 PolarHBondContact N-O 2.96Å; I236-L520 HydrophobicContact CB-CD1 4.07Å; I236-L520 HydrophobicContact CG2-CD1 3.92Å; I236-T521 PolarHBondContact O-N 3.47Å; I236-L537 HydrophobicContact CD1-CD2 3.6Å
237N95.2Very high95.3Very high21 Ų2116.3 Ų16.311%0.11211%0.111CC..EExtended strand (participates in β ladder)trans-101.7103.7178.3-176.9-15.3000110T243 S244 T521 G522N237-T243 CarbonylContact O-C 3.59Å; N237-T243 VanDerWaalsContact O-CA 3.24Å; N237-T243 WeakPolarHBondContact O-CA 3.43Å; N237-S244 PolarHBondContact N-O 3.27Å; N237-S244 PolarHBondContact O-N 3.39Å; N237-T521 CarbonylContact C-O 3.56Å; N237-T521 VanDerWaalsContact CA-O 3.31Å; N237-T521 WeakPolarHBondContact CA-O 3.18Å; N237-T521 HydrophobicContact CB-CG2 3.75Å; N237-G522 WeakPolarHBondContact OD1-CA 3.38Å
238I94.8Very high95.5Very high3 Ų315.6 Ų15.62%0.01510%0.104CC..EExtended strand (participates in β ladder)trans-89.3109.6174.7-53.5-172.9000108.3I236 T243 F375 L464 L520 T521 G522 G524 V525 M533I236-I238 HydrophobicContact CG2-CG1 4.17Å; I238-T243 HydrophobicContact CG1-CG2 3.94Å; I238-F375 HydrophobicContact CD1-CE1 4.3Å; I238-F375 HydrophobicContact CD1-CZ 4.17Å; I238-F375 HydrophobicContact CG2-CE1 4.18Å; I238-F375 HydrophobicContact CG2-CZ 3.8Å; I238-L464 HydrophobicContact CD1-CD2 4.43Å; I238-L520 HydrophobicContact CD1-CD1 3.79Å; I238-L520 HydrophobicContact CG1-CD1 4.02Å; I238-T521 PolarHBondContact N-O 2.96Å; I238-G522 CarbonylContact O-C 3.59Å; I238-G522 WeakPolarHBondContact O-CA 3.42Å; I238-G524 WeakPolarHBondContact O-CA 3.49Å; I238-G524 PolarHBondContact O-N 3.08Å; I238-V525 HydrophobicContact CB-CG1 3.62Å; I238-V525 HydrophobicContact CD1-CG1 3.74Å; I238-V525 HydrophobicContact CG1-CG1 3.85Å; I238-V525 HydrophobicContact CG2-CG1 4.39Å; I238-M533 HydrophobicContact CD1-CG 4.15Å; I238-M533 HydrophobicContact CD1-SD 4.19Å
239G93.3Very high95.6Very high16 Ų1615 Ų1517%0.16510%0.1CC..  trans-97.9-169.6174.600000112.7K242 G264 R265G239-K242 WeakPolarHBondContact CA-O 3.26Å; G239-K242 PolarHBondContact N-O 3.35Å; G239-G264 WeakPolarHBondContact O-CA 3.37Å; G239-R265 PolarHBondContact O-N 2.72Å
240E92.1Very high95.6Very high14 Ų1417.4 Ų17.47%0.06510%0.099CC..SBendtrans-67.2-48.1177.7-174.366.6-165.300111.8F19 G264 R265 S266 R303F19-E240 HydrophobicContact CB-CB 3.6Å; F19-E240 HydrophobicContact CB-CG 3.65Å; F19-E240 HydrophobicContact CD2-CG 3.87Å; F19-E240 HydrophobicContact CG-CB 4.22Å; F19-E240 HydrophobicContact CG-CG 3.77Å; E240-G264 CarbonylContact O-C 3.54Å; E240-R265 PolarHBondContact O-N 2.73Å; E240-R265 VanDerWaalsContact O-N 3.09Å; E240-S266 WeakPolarHBondContact CG-OG 3.42Å; E240-S266 VanDerWaalsContact O-CB 3.24Å; E240-S266 WeakPolarHBondContact O-CB 3.43Å; E240-S266 PolarHBondContact O-N 2.96Å; E240-S266 PolarHBondContact O-OG 3.03Å; E240-S266 PolarHBondContact OE1-OG 2.9Å; E240-R303 IonicContact OE1-CZ 3.53Å; E240-R303 IonicContact OE1-NH2 3.6Å; E240-R303 PolarHBondContact OE1-NH2 3.18Å; E240-R303 IonicContact OE2-NH2 2.65Å
241Q92.5Very high95.5Very high4 Ų415.4 Ų15.42%0.0199%0.091CC..SBendtrans-110.1-15.5-172.6-63.3-177.4-2100113.6S18 S55 Y146S18-Q241 VanDerWaalsContact CB-OE1 3.23Å; S55-Q241 PolarHBondContact OG-NE2 3.01Å; Y146-Q241 HydrophobicContact CD1-CB 3.96Å; Y146-Q241 WeakPolarHBondContact CD1-O 3.07Å; Y146-Q241 HydrophobicContact CE1-CB 3.97Å; Y146-Q241 WeakPolarHBondContact CE1-O 3.35Å; Y146-Q241 HydrophobicContact CG-CB 4.47Å; Y146-Q241 VanDerWaalsContact N-OE1 3.17Å
242K95Very high95.5Very high26 Ų2614.6 Ų14.611%0.1139%0.085CC..  trans-144.5157-174.566.7154.9-176.6123.10111.6Y146 S191 G239 S244 I260 L261 V263Y146-K242 HydrophobicContact CD1-CB 4.41Å; S191-K242 PolarHBondContact OG-NZ 3.31Å; G239-K242 WeakPolarHBondContact CA-O 3.26Å; G239-K242 PolarHBondContact N-O 3.35Å; K242-S244 PolarHBondContact NZ-OG 2.92Å; K242-I260 HydrophobicContact CB-CG2 3.93Å; K242-I260 HydrophobicContact CD-CD1 3.95Å; K242-I260 HydrophobicContact CD-CG1 4.13Å; K242-I260 HydrophobicContact CD-CG2 3.8Å; K242-L261 WeakPolarHBondContact CA-O 3.32Å; K242-V263 CarbonylContact C-O 3.57Å; K242-V263 VanDerWaalsContact CA-O 3.29Å; K242-V263 WeakPolarHBondContact CA-O 3.26Å
243T96.2Very high95.4Very high0 Ų014.4 Ų14.40%08%0.084CC..EExtended strand (participates in β ladder)trans-118.8126.7166.7-69.10000107.9I236 N237 I238 L261 V263 L464I236-T243 HydrophobicContact CG2-CG2 3.87Å; N237-T243 CarbonylContact O-C 3.59Å; N237-T243 VanDerWaalsContact O-CA 3.24Å; N237-T243 WeakPolarHBondContact O-CA 3.43Å; I238-T243 HydrophobicContact CG1-CG2 3.94Å; T243-L261 PolarHBondContact N-O 3.03Å; T243-L261 PolarHBondContact O-N 3.48Å; T243-V263 PolarHBondContact N-O 3.18Å; T243-V263 PolarHBondContact OG1-O 3.3Å; T243-L464 HydrophobicContact CG2-CD1 3.86Å
244S97.1Very high95.2Very high2 Ų216.1 Ų16.11%0.0149%0.092CC..EExtended strand (participates in β ladder)trans-107.5141.9172.349.10000111.9I236 N237 K242 I259I236-S244 CarbonylContact C-O 3.38Å; I236-S244 WeakPolarHBondContact CA-O 3.25Å; N237-S244 PolarHBondContact N-O 3.27Å; N237-S244 PolarHBondContact O-N 3.39Å; K242-S244 PolarHBondContact NZ-OG 2.92Å; S244-I259 CarbonylContact C-O 3.58Å; S244-I259 WeakPolarHBondContact CA-O 3.36Å; S244-I259 WeakPolarHBondContact CB-O 3.44Å
245V98Very high94.9Very high0 Ų018 Ų180%010%0.103CC..EExtended strand (participates in β ladder)trans-118.7130.5174.8-176.80000107.8V235 R258 I259 L464 V468V235-V245 WeakPolarHBondContact O-CA 3.39Å; V245-R258 WeakPolarHBondContact O-CA 3.39Å; V245-I259 HydrophobicContact CB-CB 4.48Å; V245-I259 PolarHBondContact N-O 2.59Å; V245-I259 PolarHBondContact O-N 3.39Å; V245-L464 HydrophobicContact CG2-CD1 4.07Å; V245-V468 HydrophobicContact CG1-CG2 4.22Å; V245-V468 HydrophobicContact CG2-CG2 4.03Å
246S97.3Very high94.5Very high1 Ų120.8 Ų20.81%0.00712%0.116CC..EExtended strand (participates in β ladder)trans-149.3130.1177.4-67.40000110.9D192 V235D192-S246 VanDerWaalsContact CB-OG 3.3Å; D192-S246 WeakPolarHBondContact CB-OG 3.36Å; V235-S246 PolarHBondContact N-O 3.06Å; V235-S246 PolarHBondContact O-N 3Å
247C98Very high94.3Very high0 Ų020.8 Ų20.80%012%0.116CC..EExtended strand (participates in β ladder)trans-87.7119.9170.6-580000109.4A253 H254 S471 C475 L514C247-A253 WeakPolarHBondContact O-CA 3.43Å; C247-H254 PolarHBondContact O-N 2.9Å; C247-S471 PolarHBondContact SG-OG 3.2Å; C247-S471 VanDerWaalsContact SG-OG 3.41Å; C247-C475 HydrophobicContact CB-CB 3.78Å; C247-C475 WeakPolarHBondContact CB-SG 3.23Å; C247-L514 HydrophobicContact CB-CD1 4.17Å; C247-L514 HydrophobicContact CB-CD2 4.18Å
248V97.1Very high94.3Very high0 Ų019.8 Ų19.80%011%0.11CC..EExtended strand (participates in β ladder)trans-100.2128.6172.1-179.40000107.4S221 V222 T225 T232 A233 V235 V252 A253S221-V248 WeakPolarHBondContact OG-CG2 3.2Å; V222-V248 HydrophobicContact CG2-CG1 4.19Å; V222-V248 HydrophobicContact CG2-CG2 4.07Å; T225-V248 HydrophobicContact CG2-CB 3.79Å; T225-V248 HydrophobicContact CG2-CG1 3.96Å; T225-V248 HydrophobicContact CG2-CG2 3.86Å; T232-V248 CarbonylContact C-O 3.52Å; T232-V248 WeakPolarHBondContact CA-O 3.49Å; T232-V248 WeakPolarHBondContact CG2-O 3.38Å; A233-V248 PolarHBondContact N-O 3Å; A233-V248 PolarHBondContact O-N 3.36Å; V235-V248 HydrophobicContact CG2-CG2 4.2Å; V248-V252 WeakPolarHBondContact CA-O 2.92Å; V248-A253 HydrophobicContact CG2-CB 4.15Å
249E95.6Very high94.4Very high28 Ų2819.6 Ų19.613%0.13111%0.11CC..EExtended strand (participates in β ladder)trans-126.9132171.6-178.8174.3-140.500108.5T232 G251 V252 H254 V479 L510 R513T232-E249 HydrophobicContact CG2-CB 4.45Å; T232-E249 HydrophobicContact CG2-CG 4.49Å; E249-G251 PolarHBondContact O-N 3.29Å; E249-V252 PolarHBondContact N-O 3.36Å; E249-V252 PolarHBondContact O-N 3.27Å; E249-H254 VanDerWaalsContact CB-NE2 3.31Å; E249-H254 WeakPolarHBondContact CB-NE2 3.38Å; E249-H254 IonicContact OE2-CE1 3.31Å; E249-H254 IonicContact OE2-NE2 3.59Å; E249-H254 PolarHBondContact OE2-NE2 3.38Å; E249-V479 WeakPolarHBondContact OE2-CG2 3.39Å; E249-L510 HydrophobicContact CG-CD1 4.39Å; E249-L510 WeakPolarHBondContact OE1-CD1 3.48Å; E249-L510 WeakPolarHBondContact OE1-CD2 3.46Å; E249-R513 IonicContact OE1-NH2 2.94Å; E249-R513 PolarHBondContact OE1-NH2 2.89Å
250D92.7Very high94.6Very high112 Ų11219 Ų1960%0.59910%0.103SC*.THydrogen-bonded Turntrans45.739.2-179.9-60.8-25.6000113.9P231 T232 R513P231-D250 PolarHBondContact O-N 3.11Å; P231-D250 VanDerWaalsContact O-N 3.1Å; T232-D250 PolarHBondContact OG1-N 3.45Å; D250-R513 IonicContact OD1-NH1 2.74Å
251G91.4Very high94.8Very high13 Ų1318.5 Ų18.513%0.13410%0.1CC..THydrogen-bonded Turntrans79.510.2179.800000115.6V222 P231 E249V222-G251 WeakPolarHBondContact CG1-O 3.19Å; P231-G251 PolarHBondContact O-N 3.45Å; E249-G251 PolarHBondContact O-N 3.29Å
252V93.3Very high94.9Very high59 Ų5918.9 Ų18.936%0.35810%0.103SC..EExtended strand (participates in β ladder)trans-121125.8177.9-176.80000110.3V248 E249V248-V252 WeakPolarHBondContact CA-O 2.92Å; E249-V252 PolarHBondContact N-O 3.36Å; E249-V252 PolarHBondContact O-N 3.27Å
253A95Very high94.9Very high1 Ų117.6 Ų17.61%0.00810%0.098CC..EExtended strand (participates in β ladder)trans-78.5126.3171.400000110.3V222 C247 V248 T255 R258V222-A253 HydrophobicContact CG2-CB 3.97Å; C247-A253 WeakPolarHBondContact O-CA 3.43Å; V248-A253 HydrophobicContact CG2-CB 4.15Å; A253-T255 PolarHBondContact O-N 2.85Å; A253-R258 PolarHBondContact O-NE 2.88Å; A253-R258 PolarHBondContact O-NH2 3.46Å
254H92.6Very high94.7Very high36 Ų3617.6 Ų17.617%0.16710%0.098CC..  trans-74.7120.5-178.3-72-100.3000112C247 E249 E256 T257 R258C247-H254 PolarHBondContact O-N 2.9Å; E249-H254 VanDerWaalsContact CB-NE2 3.31Å; E249-H254 WeakPolarHBondContact CB-NE2 3.38Å; E249-H254 IonicContact OE2-CE1 3.31Å; E249-H254 IonicContact OE2-NE2 3.59Å; E249-H254 PolarHBondContact OE2-NE2 3.38Å; H254-E256 VanDerWaalsContact C-N 3.27Å; H254-E256 PolarHBondContact O-N 3.38Å; H254-E256 VanDerWaalsContact O-N 3.14Å; H254-T257 HydrophobicContact CB-CG2 3.74Å; H254-T257 PolarHBondContact O-N 3.16Å; H254-T257 VanDerWaalsContact O-N 3.11Å; H254-T257 PolarHBondContact O-OG1 3.16Å; H254-R258 WeakPolarHBondContact O-CG 3.39Å
255T91.1Very high94.5Very high38 Ų3818.8 Ų18.823%0.23310%0.102CC..G310 helixtrans-50.9-40.8-175.6-58.70000114.1A253 T257 R258 Q392A253-T255 PolarHBondContact O-N 2.85Å; T255-T257 VanDerWaalsContact C-N 3.32Å; T255-T257 PolarHBondContact O-N 3.12Å; T255-R258 PolarHBondContact OG1-NH2 3.48Å; T255-Q392 HydrophobicContact CG2-CB 4.2Å; T255-Q392 HydrophobicContact CG2-CG 3.64Å
256E90.5Very high94.2Very high62 Ų6219 Ų1929%0.2910%0.103SC..G310 helixtrans-80.1-11-174.3-65-170.6-170.500114.8H254 L478H254-E256 VanDerWaalsContact C-N 3.27Å; H254-E256 PolarHBondContact O-N 3.38Å; H254-E256 VanDerWaalsContact O-N 3.14Å; E256-L478 HydrophobicContact CB-CD1 3.63Å; E256-L478 HydrophobicContact CG-CD1 4.31Å; E256-L478 WeakPolarHBondContact OE2-CD1 3.48Å; E256-L478 VanDerWaalsContact OE2-CD2 3.3Å; E256-L478 WeakPolarHBondContact OE2-CD2 3.31Å
257T91.9Very high94Very high0 Ų019 Ų190%010%0.103CC..G310 helixtrans-100.3-8.5-175.372.60000112.3H254 T255 S471 Q474 C475 L478H254-T257 HydrophobicContact CB-CG2 3.74Å; H254-T257 PolarHBondContact O-N 3.16Å; H254-T257 VanDerWaalsContact O-N 3.11Å; H254-T257 PolarHBondContact O-OG1 3.16Å; T255-T257 VanDerWaalsContact C-N 3.32Å; T255-T257 PolarHBondContact O-N 3.12Å; T257-S471 PolarHBondContact O-OG 3.04Å; T257-Q474 HydrophobicContact CG2-CB 4.42Å; T257-Q474 HydrophobicContact CG2-CG 4.34Å; T257-C475 HydrophobicContact CG2-CB 3.59Å; T257-L478 HydrophobicContact CG2-CD1 4.28Å
258R95.6Very high93.8Very high0 Ų019.4 Ų19.40%011%0.106CC..  trans-79.8128.4-173.7-46.4179.9-171152.77.4111.3D192 V193 Q219 V245 A253 H254 T255 Q392D192-R258 WeakPolarHBondContact O-CD 3.41Å; D192-R258 PolarHBondContact O-NH1 3.38Å; V193-R258 HydrophobicContact CG2-CB 3.58Å; Q219-R258 VanDerWaalsContact NE2-CZ 3.29Å; V245-R258 WeakPolarHBondContact O-CA 3.39Å; A253-R258 PolarHBondContact O-NE 2.88Å; A253-R258 PolarHBondContact O-NH2 3.46Å; H254-R258 WeakPolarHBondContact O-CG 3.39Å; T255-R258 PolarHBondContact OG1-NH2 3.48Å; R258-Q392 HydrophobicContact CB-CB 4.42Å
259I95.7Very high93.6Very high0 Ų019.4 Ų19.40%011%0.106CC..EExtended strand (participates in β ladder)trans-132.2141.4-176.6-46.4171.5000109S244 V245 L261 C389 T390 Y391 F461 A467 W470S244-I259 CarbonylContact C-O 3.58Å; S244-I259 WeakPolarHBondContact CA-O 3.36Å; S244-I259 WeakPolarHBondContact CB-O 3.44Å; V245-I259 HydrophobicContact CB-CB 4.48Å; V245-I259 PolarHBondContact N-O 2.59Å; V245-I259 PolarHBondContact O-N 3.39Å; I259-L261 HydrophobicContact CG2-CD2 3.98Å; I259-L261 HydrophobicContact CG2-CG 4.42Å; I259-C389 HydrophobicContact CG2-CB 3.93Å; I259-T390 CarbonylContact C-O 3.46Å; I259-Y391 HydrophobicContact CD1-CE1 4.45Å; I259-Y391 HydrophobicContact CG1-CD1 4.25Å; I259-Y391 HydrophobicContact CG1-CE1 3.87Å; I259-Y391 HydrophobicContact CG2-CE1 4.43Å; I259-F461 HydrophobicContact CD1-CE2 3.88Å; I259-F461 HydrophobicContact CD1-CZ 3.91Å; I259-F461 HydrophobicContact CG2-CD2 4.48Å; I259-F461 HydrophobicContact CG2-CE2 3.95Å; I259-A467 HydrophobicContact CD1-CB 4.36Å; I259-W470 HydrophobicContact CD1-CE3 3.4Å; I259-W470 HydrophobicContact CD1-CZ3 3.63Å; I259-W470 HydrophobicContact CG1-CE3 4.16Å; I259-W470 HydrophobicContact CG1-CZ3 3.85Å
260I97.2Very high93.5Very high4 Ų418.6 Ų18.62%0.02110%0.101CC..EExtended strand (participates in β ladder)trans-111.9123.2160.5-69.8175.9000108.4F148 V193 K242 C389 T390F148-I260 HydrophobicContact CE2-CD1 3.98Å; F148-I260 HydrophobicContact CZ-CD1 3.9Å; V193-I260 HydrophobicContact CB-CD1 3.59Å; V193-I260 HydrophobicContact CB-CG1 3.85Å; V193-I260 HydrophobicContact CG1-CD1 3.89Å; V193-I260 HydrophobicContact CG1-CG1 4.35Å; V193-I260 HydrophobicContact CG2-CD1 4.35Å; V193-I260 HydrophobicContact CG2-CG1 4.04Å; K242-I260 HydrophobicContact CB-CG2 3.93Å; K242-I260 HydrophobicContact CD-CD1 3.95Å; K242-I260 HydrophobicContact CD-CG1 4.13Å; K242-I260 HydrophobicContact CD-CG2 3.8Å; I260-C389 CarbonylContact O-C 3.37Å; I260-C389 VanDerWaalsContact O-CA 3.26Å; I260-C389 WeakPolarHBondContact O-CA 3.29Å; I260-C389 WeakPolarHBondContact O-CB 3.49Å; I260-T390 PolarHBondContact N-O 3.21Å; I260-T390 PolarHBondContact O-N 2.89Å
261L96.8Very high93.5Very high2 Ų213.3 Ų13.31%0.017%0.073CC..EExtended strand (participates in β ladder)trans-93.8137.6167.6-56.5176.1000109.4K242 T243 I259 V263 I378 C389 F461 L464 A467K242-L261 WeakPolarHBondContact CA-O 3.32Å; T243-L261 PolarHBondContact N-O 3.03Å; T243-L261 PolarHBondContact O-N 3.48Å; I259-L261 HydrophobicContact CG2-CD2 3.98Å; I259-L261 HydrophobicContact CG2-CG 4.42Å; L261-V263 HydrophobicContact CB-CG1 3.97Å; L261-V263 PolarHBondContact O-N 2.64Å; L261-I378 HydrophobicContact CD1-CD1 3.93Å; L261-I378 HydrophobicContact CD2-CD1 4.41Å; L261-C389 HydrophobicContact CD2-CB 4.02Å; L261-F461 HydrophobicContact CD2-CB 4.42Å; L261-F461 HydrophobicContact CD2-CD2 3.73Å; L261-F461 HydrophobicContact CD2-CG 4.46Å; L261-L464 HydrophobicContact CD1-CB 4.42Å; L261-L464 HydrophobicContact CD1-CD1 3.64Å; L261-A467 HydrophobicContact CD1-CB 3.86Å; L261-A467 HydrophobicContact CD2-CB 4.03Å; L261-A467 HydrophobicContact CG-CB 4.39Å
262P95Very high93.6Very high12 Ų1212.7 Ų12.78%0.0787%0.067CC..SBendtrans-81.138.8-176.636.3-38.5000112.3R56 V382 E386R56-P262 PolarHBondContact NH1-O 3.12Å; R56-P262 PolarHBondContact NH2-O 3.5Å; P262-V382 HydrophobicContact CG-CG1 4.27Å; P262-E386 VanDerWaalsContact CB-O 3.29Å; P262-E386 WeakPolarHBondContact CB-O 3.46Å; P262-E386 WeakPolarHBondContact CG-O 3.48Å
263V94.1Very high93.6Very high0 Ų010 Ų100%05%0.05CC..  trans-133.9139.4-178.464.40000110.4K242 T243 L261 D267 P374 F375 I378 V382K242-V263 CarbonylContact C-O 3.57Å; K242-V263 VanDerWaalsContact CA-O 3.29Å; K242-V263 WeakPolarHBondContact CA-O 3.26Å; T243-V263 PolarHBondContact N-O 3.18Å; T243-V263 PolarHBondContact OG1-O 3.3Å; L261-V263 HydrophobicContact CB-CG1 3.97Å; L261-V263 PolarHBondContact O-N 2.64Å; V263-D267 VanDerWaalsContact CA-OD2 3.24Å; V263-D267 WeakPolarHBondContact CA-OD2 3.35Å; V263-D267 HydrophobicContact CG2-CB 3.79Å; V263-P374 HydrophobicContact CG2-CB 3.58Å; V263-F375 HydrophobicContact CG1-CD1 3.82Å; V263-F375 HydrophobicContact CG1-CE1 3.94Å; V263-F375 HydrophobicContact CG2-CD1 4.14Å; V263-F375 HydrophobicContact CG2-CE1 3.99Å; V263-I378 HydrophobicContact CG1-CD1 4.27Å; V263-I378 HydrophobicContact CG1-CG1 4.29Å; V263-V382 HydrophobicContact CB-CG2 4.49Å
264G93.2Very high93.4Very high0 Ų010.1 Ų10.10%05%0.051CC..  trans-157.8-161.4177.100000113.2G239 E240 S266 D267 V268G239-G264 WeakPolarHBondContact O-CA 3.37Å; E240-G264 CarbonylContact O-C 3.54Å; G264-S266 PolarHBondContact O-N 2.91Å; G264-D267 PolarHBondContact N-OD2 2.91Å; G264-D267 WeakPolarHBondContact O-CB 3.42Å; G264-D267 PolarHBondContact O-N 2.95Å; G264-V268 PolarHBondContact O-N 2.64Å
265R92.2Very high93.3Very high26 Ų269.3 Ų9.310%0.0985%0.048CC..Hα-helixtrans-58.4-33.7-179.9-176.4-179176.7-165.6-0.3113.3G239 E240 D267 V268 L269 E307G239-R265 PolarHBondContact O-N 2.72Å; E240-R265 PolarHBondContact O-N 2.73Å; E240-R265 VanDerWaalsContact O-N 3.09Å; R265-D267 PolarHBondContact O-N 3.38Å; R265-V268 WeakPolarHBondContact O-CB 3.44Å; R265-V268 PolarHBondContact O-N 3.14Å; R265-L269 PolarHBondContact O-N 3.28Å; R265-E307 IonicContact CZ-OE1 2.7Å; R265-E307 IonicContact NH2-OE1 2.68Å; R265-E307 PolarHBondContact NH2-OE1 3.46Å
266S92.6Very high93.3Very high5 Ų57.6 Ų7.64%0.0354%0.037CC..Hα-helixtrans-57.7-36.2173.7-84.20000111.8E240 G264 L269 R270E240-S266 WeakPolarHBondContact CG-OG 3.42Å; E240-S266 VanDerWaalsContact O-CB 3.24Å; E240-S266 WeakPolarHBondContact O-CB 3.43Å; E240-S266 PolarHBondContact O-N 2.96Å; E240-S266 PolarHBondContact O-OG 3.03Å; E240-S266 PolarHBondContact OE1-OG 2.9Å; G264-S266 PolarHBondContact O-N 2.91Å; S266-L269 WeakPolarHBondContact O-CB 3.37Å; S266-L269 PolarHBondContact O-N 2.87Å; S266-R270 VanDerWaalsContact O-CG 3.28Å; S266-R270 WeakPolarHBondContact O-CG 3.48Å; S266-R270 PolarHBondContact O-N 3.36Å
267D93.1Very high93.3Very high2 Ų24.7 Ų4.71%0.0112%0.024CC..Hα-helixtrans-75.5-35.5179.2-56.1-70.6000112.5R56 V263 G264 R265 L269 R270 V271 P374R56-D267 IonicContact CZ-OD1 3.59Å; R56-D267 IonicContact NH1-OD1 2.71Å; R56-D267 PolarHBondContact NH1-OD1 3.24Å; R56-D267 IonicContact NH1-OD2 3.86Å; R56-D267 PolarHBondContact NH1-OD2 2.74Å; V263-D267 VanDerWaalsContact CA-OD2 3.24Å; V263-D267 WeakPolarHBondContact CA-OD2 3.35Å; V263-D267 HydrophobicContact CG2-CB 3.79Å; G264-D267 PolarHBondContact N-OD2 2.91Å; G264-D267 WeakPolarHBondContact O-CB 3.42Å; G264-D267 PolarHBondContact O-N 2.95Å; R265-D267 PolarHBondContact O-N 3.38Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.88Å; D267-R270 PolarHBondContact O-N 3.31Å; D267-R270 IonicContact OD1-CZ 3.27Å; D267-R270 VanDerWaalsContact OD1-CZ 3.25Å; D267-R270 IonicContact OD1-NE 3.98Å; D267-R270 PolarHBondContact OD1-NE 3.49Å; D267-R270 VanDerWaalsContact OD1-NE 3.11Å; D267-R270 IonicContact OD1-NH2 3.57Å; D267-R270 PolarHBondContact OD1-NH2 3.48Å; D267-V271 WeakPolarHBondContact O-CG2 3.39Å; D267-V271 PolarHBondContact O-N 3.24Å; D267-P374 HydrophobicContact CB-CB 3.95Å; D267-P374 HydrophobicContact CB-CG 4.34Å
268V93.4Very high93Very high8 Ų86 Ų65%0.0483%0.032CC..Hα-helixtrans-56.5-47.2168173.30000110.2G264 R265 R270 V271 F272 M306 H371 P374 F375G264-V268 PolarHBondContact O-N 2.64Å; R265-V268 WeakPolarHBondContact O-CB 3.44Å; R265-V268 PolarHBondContact O-N 3.14Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 2.92Å; V268-V271 PolarHBondContact O-N 2.95Å; V268-F272 VanDerWaalsContact O-CB 3.27Å; V268-F272 WeakPolarHBondContact O-CB 3.45Å; V268-F272 PolarHBondContact O-N 3.38Å; V268-M306 HydrophobicContact CG1-SD 3.84Å; V268-H371 HydrophobicContact CG1-CB 4.38Å; V268-P374 HydrophobicContact CG2-CG 4.05Å; V268-F375 HydrophobicContact CG2-CE2 3.61Å; V268-F375 HydrophobicContact CG2-CZ 4.09Å
269L93.2Very high92.6Very high0 Ų011.3 Ų11.30%06%0.061CC..Hα-helixtrans-63.6-38.1179-164.864000112.2I54 R265 S266 D267 H273 V299 L302 R303 M306I54-L269 HydrophobicContact CD1-CD2 3.66Å; I54-L269 HydrophobicContact CD1-CG 4.3Å; R265-L269 PolarHBondContact O-N 3.28Å; S266-L269 WeakPolarHBondContact O-CB 3.37Å; S266-L269 PolarHBondContact O-N 2.87Å; D267-L269 VanDerWaalsContact C-N 3.29Å; D267-L269 PolarHBondContact O-N 2.88Å; L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 2.77Å; L269-V299 HydrophobicContact CD2-CG1 4.21Å; L269-L302 HydrophobicContact CD1-CB 4.42Å; L269-L302 HydrophobicContact CD1-CD2 3.95Å; L269-L302 HydrophobicContact CD1-CG 3.66Å; L269-L302 HydrophobicContact CD2-CD2 4.28Å; L269-L302 HydrophobicContact CG-CD2 3.73Å; L269-L302 HydrophobicContact CG-CG 4.03Å; L269-R303 HydrophobicContact CD1-CG 4.02Å; L269-R303 HydrophobicContact CD2-CG 3.66Å; L269-M306 HydrophobicContact CD1-CB 4.2Å; L269-M306 HydrophobicContact CD1-CE 4.05Å; L269-M306 HydrophobicContact CD1-SD 3.69Å
270R93.4Very high92.2Very high11 Ų1111.9 Ų11.94%0.0427%0.066CC..Hα-helixtrans-65-45.5175.1-70.1-178.1-40.8121.2-1.6112.1I54 R56 Q57 S266 D267 V268 S274 Y293 C381I54-R270 HydrophobicContact CG2-CG 3.79Å; R56-R270 VanDerWaalsContact CB-CZ 3.46Å; R56-R270 VanDerWaalsContact CD-CZ 3.43Å; R56-R270 VanDerWaalsContact CD-NH2 3.29Å; R56-R270 VanDerWaalsContact O-CD 3.3Å; R56-R270 WeakPolarHBondContact O-CD 3.19Å; Q57-R270 WeakPolarHBondContact O-CD 3.29Å; Q57-R270 PolarHBondContact O-NH1 2.83Å; S266-R270 VanDerWaalsContact O-CG 3.28Å; S266-R270 WeakPolarHBondContact O-CG 3.48Å; S266-R270 PolarHBondContact O-N 3.36Å; D267-R270 PolarHBondContact O-N 3.31Å; D267-R270 IonicContact OD1-CZ 3.27Å; D267-R270 VanDerWaalsContact OD1-CZ 3.25Å; D267-R270 IonicContact OD1-NE 3.98Å; D267-R270 PolarHBondContact OD1-NE 3.49Å; D267-R270 VanDerWaalsContact OD1-NE 3.11Å; D267-R270 IonicContact OD1-NH2 3.57Å; D267-R270 PolarHBondContact OD1-NH2 3.48Å; V268-R270 VanDerWaalsContact C-N 3.34Å; V268-R270 PolarHBondContact O-N 2.92Å; R270-S274 PolarHBondContact O-N 2.96Å; R270-S274 VanDerWaalsContact O-N 3.09Å; R270-S274 PolarHBondContact O-OG 2.65Å; R270-Y293 HydrophobicContact CG-CE2 3.87Å; R270-C381 PolarHBondContact NH2-O 2.97Å
271V92.4Very high91.8Very high1 Ų112 Ų121%0.0067%0.067CC..Hα-helixtrans-65.9-44.7176.8173.20000110.2A59 D267 V268 H273 S274 L275 L373 P374A59-V271 HydrophobicContact CB-CG2 4.16Å; D267-V271 WeakPolarHBondContact O-CG2 3.39Å; D267-V271 PolarHBondContact O-N 3.24Å; V268-V271 PolarHBondContact O-N 2.95Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 3.46Å; V271-S274 WeakPolarHBondContact O-CB 3.35Å; V271-S274 PolarHBondContact O-N 3.14Å; V271-L275 HydrophobicContact CG1-CD1 3.7Å; V271-L275 HydrophobicContact CG1-CG 4.08Å; V271-L275 WeakPolarHBondContact O-CG 3.36Å; V271-L275 PolarHBondContact O-N 3.25Å; V271-L373 HydrophobicContact CG1-CB 4.31Å; V271-L373 HydrophobicContact CG1-CD2 3.72Å; V271-L373 HydrophobicContact CG2-CD2 4.35Å; V271-P374 HydrophobicContact CB-CG 4.33Å; V271-P374 HydrophobicContact CG2-CG 3.85Å
272F92.7Very high91.2Very high0 Ų014.6 Ų14.60%09%0.085CC..Hα-helixtrans-55.4-49.2176.1-179.8-99.1000111.4V268 S274 L275 V276 L302 L305 M306 S309 V367 S370V268-F272 VanDerWaalsContact O-CB 3.27Å; V268-F272 WeakPolarHBondContact O-CB 3.45Å; V268-F272 PolarHBondContact O-N 3.38Å; F272-S274 VanDerWaalsContact C-N 3.26Å; F272-S274 PolarHBondContact O-N 2.88Å; F272-L275 PolarHBondContact O-N 3.28Å; F272-V276 HydrophobicContact CD1-CG2 4.42Å; F272-V276 HydrophobicContact CD2-CG2 3.81Å; F272-V276 HydrophobicContact CE1-CB 4.44Å; F272-V276 HydrophobicContact CE1-CG2 4.14Å; F272-V276 HydrophobicContact CE2-CG2 3.49Å; F272-V276 VanDerWaalsContact CE2-CG2 3.49Å; F272-V276 HydrophobicContact CG-CG2 4.28Å; F272-V276 HydrophobicContact CZ-CB 4.34Å; F272-V276 HydrophobicContact CZ-CG1 4.46Å; F272-V276 HydrophobicContact CZ-CG2 3.66Å; F272-V276 WeakPolarHBondContact O-CB 3.43Å; F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 3.26Å; F272-L302 HydrophobicContact CD1-CD1 3.93Å; F272-L302 HydrophobicContact CE1-CD1 4.11Å; F272-L305 HydrophobicContact CE1-CB 4.42Å; F272-L305 HydrophobicContact CE1-CD2 4.11Å; F272-L305 HydrophobicContact CE1-CG 3.86Å; F272-L305 HydrophobicContact CZ-CG 4Å; F272-M306 HydrophobicContact CB-CG 4.42Å; F272-M306 HydrophobicContact CB-SD 4.24Å; F272-M306 HydrophobicContact CD1-CB 3.78Å; F272-M306 HydrophobicContact CD1-CG 4.02Å; F272-M306 HydrophobicContact CD2-CB 4.46Å; F272-M306 HydrophobicContact CD2-CG 3.99Å; F272-M306 HydrophobicContact CE1-CB 3.71Å; F272-M306 HydrophobicContact CE1-CG 4.28Å; F272-M306 HydrophobicContact CE2-CB 4.39Å; F272-M306 HydrophobicContact CE2-CG 4.23Å; F272-M306 HydrophobicContact CG-CB 4.17Å; F272-M306 HydrophobicContact CG-CG 3.87Å; F272-M306 HydrophobicContact CG-SD 4.31Å; F272-M306 VanDerWaalsContact CZ-CA 3.5Å; F272-M306 HydrophobicContact CZ-CB 4.03Å; F272-M306 HydrophobicContact CZ-CG 4.38Å; F272-S309 WeakPolarHBondContact CE2-OG 3.42Å; F272-S309 WeakPolarHBondContact CZ-OG 3.32Å; F272-V367 HydrophobicContact CE2-CG2 4.49Å; F272-S370 WeakPolarHBondContact CD2-OG 3.38Å
273H93.7Very high90.6Very high1 Ų115.7 Ų15.71%0.0059%0.09CC..Hα-helixtrans-54.8-43174.9-176.7-151.5000112.6L269 V271 L277 D290 Y293 L302L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 2.77Å; V271-H273 VanDerWaalsContact C-N 3.34Å; V271-H273 PolarHBondContact O-N 3.46Å; H273-L277 CarbonylContact O-C 3.46Å; H273-L277 WeakPolarHBondContact O-CA 3.42Å; H273-L277 PolarHBondContact O-N 3.36Å; H273-D290 IonicContact CE1-OD1 2.97Å; H273-D290 PolarHBondContact CE1-OD1 3.41Å; H273-D290 IonicContact CE1-OD2 2.65Å; H273-D290 IonicContact NE2-OD1 3.25Å; H273-D290 PolarHBondContact NE2-OD1 2.83Å; H273-Y293 AromaticContact ND1-CE1 3.87Å; H273-Y293 AromaticContact ND1-CZ 3.68Å; H273-Y293 PolarHBondContact ND1-OH 2.86Å; H273-L302 HydrophobicContact CB-CD1 4.19Å; H273-L302 HydrophobicContact CB-CD2 3.85Å
274S92.1Very high89.8Confident5 Ų520.8 Ų20.84%0.03512%0.117CC..Hα-helixtrans-71.1-34.6-176.6-50.10000112.6K58 A59 R270 V271 F272 P278K58-S274 WeakPolarHBondContact CG-OG 3.17Å; A59-S274 WeakPolarHBondContact CA-OG 3.39Å; A59-S274 WeakPolarHBondContact CB-OG 3.3Å; A59-S274 PolarHBondContact N-OG 2.81Å; A59-S274 WeakPolarHBondContact O-CB 3.42Å; A59-S274 PolarHBondContact O-OG 3.48Å; R270-S274 PolarHBondContact O-N 2.96Å; R270-S274 VanDerWaalsContact O-N 3.09Å; R270-S274 PolarHBondContact O-OG 2.65Å; V271-S274 WeakPolarHBondContact O-CB 3.35Å; V271-S274 PolarHBondContact O-N 3.14Å; F272-S274 VanDerWaalsContact C-N 3.26Å; F272-S274 PolarHBondContact O-N 2.88Å; S274-P278 VanDerWaalsContact O-CA 3.29Å; S274-P278 WeakPolarHBondContact O-CA 3.43Å; S274-P278 WeakPolarHBondContact O-CB 3.15Å
275L90Very high89.2Confident19 Ų1928.7 Ų28.710%0.09915%0.154CC..Hα-helixtrans-83.4-35.6-179.7-66.5179.6000112.9C61 V271 F272 T366 L369C61-L275 HydrophobicContact CB-CD2 4.22Å; V271-L275 HydrophobicContact CG1-CD1 3.7Å; V271-L275 HydrophobicContact CG1-CG 4.08Å; V271-L275 WeakPolarHBondContact O-CG 3.36Å; V271-L275 PolarHBondContact O-N 3.25Å; F272-L275 PolarHBondContact O-N 3.28Å; L275-T366 HydrophobicContact CB-CG2 3.65Å; L275-T366 HydrophobicContact CD1-CG2 4.22Å; L275-L369 HydrophobicContact CD1-CB 4.47Å; L275-L369 HydrophobicContact CD1-CD2 4.02Å; L275-L369 HydrophobicContact CD1-CG 4.15Å
276V90.7Very high88.6Confident1 Ų130.2 Ų30.21%0.00618%0.177CC..Hα-helixtrans-88.2-38.9-177179.30000112.2F272 P278 L305 I359 L362F272-V276 HydrophobicContact CD1-CG2 4.42Å; F272-V276 HydrophobicContact CD2-CG2 3.81Å; F272-V276 HydrophobicContact CE1-CB 4.44Å; F272-V276 HydrophobicContact CE1-CG2 4.14Å; F272-V276 HydrophobicContact CE2-CG2 3.49Å; F272-V276 VanDerWaalsContact CE2-CG2 3.49Å; F272-V276 HydrophobicContact CG-CG2 4.28Å; F272-V276 HydrophobicContact CZ-CB 4.34Å; F272-V276 HydrophobicContact CZ-CG1 4.46Å; F272-V276 HydrophobicContact CZ-CG2 3.66Å; F272-V276 WeakPolarHBondContact O-CB 3.43Å; F272-V276 WeakPolarHBondContact O-CG2 3.27Å; F272-V276 PolarHBondContact O-N 3.26Å; V276-P278 WeakPolarHBondContact O-CD 3.48Å; V276-L305 HydrophobicContact CG1-CD2 4.38Å; V276-I359 HydrophobicContact CG1-CD1 4.29Å; V276-I359 HydrophobicContact CG1-CG2 4.27Å; V276-L362 HydrophobicContact CG2-CD1 3.89Å
277L90.2Very high88.3Confident1 Ų133.2 Ų33.21%0.00520%0.198CC..SBendtrans-122.853-178.4-54.7178.6000111.4K58 V95 H273 N279 G280 F281 L291 W350K58-L277 WeakPolarHBondContact CE-O 3.38Å; K58-L277 PolarHBondContact NZ-O 3.24Å; V95-L277 HydrophobicContact CG2-CD2 3.5Å; V95-L277 VanDerWaalsContact CG2-CD2 3.5Å; H273-L277 CarbonylContact O-C 3.46Å; H273-L277 WeakPolarHBondContact O-CA 3.42Å; H273-L277 PolarHBondContact O-N 3.36Å; L277-N279 VanDerWaalsContact C-N 3.27Å; L277-N279 PolarHBondContact O-N 2.65Å; L277-N279 VanDerWaalsContact O-N 3.15Å; L277-G280 PolarHBondContact O-N 3.47Å; L277-F281 HydrophobicContact CD1-CD1 4.42Å; L277-L291 HydrophobicContact CD1-CD1 3.87Å; L277-L291 HydrophobicContact CD1-CG 4.45Å; L277-W350 HydrophobicContact CD1-CH2 3.82Å; L277-W350 HydrophobicContact CD1-CZ3 4.01Å; L277-W350 HydrophobicContact CD2-CZ3 4.44Å
278P86.6Confident87.9Confident27 Ų2737.8 Ų37.818%0.17523%0.226CC..THydrogen-bonded Turntrans-54.4-41.8-17119.4-31.3000113.5K58 L92 S274 V276K58-P278 PolarHBondContact NZ-O 3.15Å; L92-P278 HydrophobicContact CD1-CG 4.08Å; L92-P278 HydrophobicContact CD2-CG 3.88Å; L92-P278 HydrophobicContact CG-CG 4.39Å; S274-P278 VanDerWaalsContact O-CA 3.29Å; S274-P278 WeakPolarHBondContact O-CA 3.43Å; S274-P278 WeakPolarHBondContact O-CB 3.15Å; V276-P278 WeakPolarHBondContact O-CD 3.48Å
279N85.9Confident87.6Confident113 Ų11339.9 Ų39.960%0.60424%0.239SC*.THydrogen-bonded Turntrans-101.112-179.7-60.3-30.6000113.3L277 T288L277-N279 VanDerWaalsContact C-N 3.27Å; L277-N279 PolarHBondContact O-N 2.65Å; L277-N279 VanDerWaalsContact O-N 3.15Å; N279-T288 WeakPolarHBondContact O-CG2 3.42Å
280G87.6Confident87.5Confident11 Ų1143 Ų4311%0.11326%0.255CS..  trans75.2-154.7-168.600000112.1L277 V289L277-G280 PolarHBondContact O-N 3.47Å; G280-V289 CarbonylContact C-O 3.56Å; G280-V289 WeakPolarHBondContact CA-O 3.38Å
281F88.1Confident87.4Confident8 Ų843 Ų434%0.03526%0.256CS..EExtended strand (participates in β ladder)trans-140.2154.5-179.360.4-81.7000110.8V95 L277 T288 V289 L291 W350 H352 Y357V95-F281 HydrophobicContact CB-CB 4.21Å; V95-F281 HydrophobicContact CG1-CB 3.79Å; L277-F281 HydrophobicContact CD1-CD1 4.42Å; F281-T288 WeakPolarHBondContact O-CA 3.37Å; F281-V289 WeakPolarHBondContact CD1-O 3.3Å; F281-V289 HydrophobicContact CE2-CB 4.48Å; F281-V289 HydrophobicContact CZ-CB 4.3Å; F281-V289 HydrophobicContact CZ-CG1 4.3Å; F281-V289 PolarHBondContact N-O 3.25Å; F281-V289 PolarHBondContact O-N 2.8Å; F281-L291 HydrophobicContact CE1-CD2 3.71Å; F281-L291 HydrophobicContact CE1-CG 4.02Å; F281-L291 HydrophobicContact CZ-CD2 4.15Å; F281-W350 AromaticContact CD1-CH2 3.85Å; F281-W350 HydrophobicContact CD1-CH2 3.85Å; F281-W350 AromaticContact CD1-CZ3 3.85Å; F281-W350 HydrophobicContact CD1-CZ3 3.85Å; F281-W350 HydrophobicContact CD2-CZ3 4.34Å; F281-W350 AromaticContact CE1-CH2 3.7Å; F281-W350 HydrophobicContact CE1-CH2 3.7Å; F281-W350 HydrophobicContact CE1-CZ3 4.12Å; F281-W350 HydrophobicContact CG-CH2 4.4Å; F281-W350 AromaticContact CG-CZ3 3.98Å; F281-W350 HydrophobicContact CG-CZ3 3.98Å; F281-W350 HydrophobicContact CZ-CH2 4.09Å; F281-W350 HydrophobicContact CZ-CZ3 4.47Å; F281-H352 AromaticContact CE2-CD2 3.87Å; F281-H352 AromaticContact CZ-CD2 3.47Å; F281-H352 VanDerWaalsContact CZ-CD2 3.47Å; F281-H352 WeakPolarHBondContact CZ-CD2 3.44Å; F281-H352 AromaticContact CZ-NE2 3.86Å; F281-Y357 HydrophobicContact CD2-CD1 4.35Å; F281-Y357 AromaticContact CD2-CE1 3.74Å; F281-Y357 HydrophobicContact CD2-CE1 3.74Å; F281-Y357 HydrophobicContact CD2-CE2 4.36Å; F281-Y357 AromaticContact CD2-CZ 3.73Å; F281-Y357 HydrophobicContact CE2-CE1 4.28Å; F281-Y357 HydrophobicContact CE2-CE2 4.24Å; F281-Y357 AromaticContact CE2-CZ 3.79Å
282C84.4Confident87.1Confident56 Ų5648.7 Ų48.738%0.37828%0.281SS..EExtended strand (participates in β ladder)trans-87.1123.8176.9-67.60000110.4C287 Y357C282-C287 WeakPolarHBondContact CA-O 3.14Å; C282-Y357 WeakPolarHBondContact O-CE1 3.49Å
283N82.4Confident87Confident35 Ų3549.5 Ų49.519%0.18728%0.284CS..  trans-71.3174.4172.373.7-2.9000111.5E285 G286 C287 V289N283-E285 PolarHBondContact O-N 3.02Å; N283-E285 VanDerWaalsContact O-N 3.1Å; N283-E285 WeakPolarHBondContact OD1-CA 3.37Å; N283-E285 WeakPolarHBondContact OD1-CB 3.31Å; N283-E285 PolarHBondContact OD1-N 2.93Å; N283-E285 VanDerWaalsContact OD1-N 3.1Å; N283-G286 PolarHBondContact O-N 3.23Å; N283-G286 PolarHBondContact OD1-N 2.86Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å; N283-C287 PolarHBondContact N-O 3.24Å; N283-C287 PolarHBondContact OD1-N 2.78Å; N283-C287 PolarHBondContact OD1-O 2.91Å; N283-V289 HydrophobicContact CB-CG2 4.22Å
284N78.4Confident86.4Confident107 Ų10754 Ų5457%0.57231%0.305SS*.THydrogen-bonded Turntrans-61.1-19.3178-64.2-6000113.7G286 N355N284-G286 VanDerWaalsContact C-N 3.31Å; N284-N355 PolarHBondContact ND2-OD1 3.02Å
285E80.7Confident85.7Confident165 Ų16556.9 Ų56.977%0.77132%0.318SS*.THydrogen-bonded Turntrans-85.9-2.8176.6-57.2177.5160.900112.7N283 C287N283-E285 PolarHBondContact O-N 3.02Å; N283-E285 VanDerWaalsContact O-N 3.1Å; N283-E285 WeakPolarHBondContact OD1-CA 3.37Å; N283-E285 WeakPolarHBondContact OD1-CB 3.31Å; N283-E285 PolarHBondContact OD1-N 2.93Å; N283-E285 VanDerWaalsContact OD1-N 3.1Å; E285-C287 VanDerWaalsContact C-N 3.33Å
286G79.9Confident85.1Confident58 Ų5857 Ų5760%0.59832%0.318SS*.SBendtrans80.68.2-178.300000114.6N283 N284N283-G286 PolarHBondContact O-N 3.23Å; N283-G286 PolarHBondContact OD1-N 2.86Å; N283-G286 VanDerWaalsContact OD1-N 3.08Å; N284-G286 VanDerWaalsContact C-N 3.31Å
287C84.9Confident84.6Confident68 Ų6859.2 Ų59.246%0.45933%0.334SS..  trans-86.2135.5173.6-650000111.1C282 N283 E285 V289C282-C287 WeakPolarHBondContact CA-O 3.14Å; N283-C287 PolarHBondContact N-O 3.24Å; N283-C287 PolarHBondContact OD1-N 2.78Å; N283-C287 PolarHBondContact OD1-O 2.91Å; E285-C287 VanDerWaalsContact C-N 3.33Å; C287-V289 PolarHBondContact O-N 3.29Å
288T85.9Confident84.5Confident98 Ų9859.3 Ų59.360%0.60134%0.335SS*.EExtended strand (participates in β ladder)trans-73122.7170.4-52.60000109.9N279 F281N279-T288 WeakPolarHBondContact O-CG2 3.42Å; F281-T288 WeakPolarHBondContact O-CA 3.37Å
289V87.3Confident84.6Confident52 Ų5258 Ų5832%0.31533%0.326SS..EExtended strand (participates in β ladder)trans-120.5141.5178.5-177.30000108.5G280 F281 N283 C287G280-V289 CarbonylContact C-O 3.56Å; G280-V289 WeakPolarHBondContact CA-O 3.38Å; F281-V289 WeakPolarHBondContact CD1-O 3.3Å; F281-V289 HydrophobicContact CE2-CB 4.48Å; F281-V289 HydrophobicContact CZ-CB 4.3Å; F281-V289 HydrophobicContact CZ-CG1 4.3Å; F281-V289 PolarHBondContact N-O 3.25Å; F281-V289 PolarHBondContact O-N 2.8Å; N283-V289 HydrophobicContact CB-CG2 4.22Å; C287-V289 PolarHBondContact O-N 3.29Å
290D90.3Very high84.5Confident65 Ų6554 Ų5435%0.34830%0.304SS..  trans-113.7152.2170.8-156.113.8000109.6K58 H273K58-D290 VanDerWaalsContact NZ-CG 3.32Å; K58-D290 IonicContact NZ-OD1 3.34Å; K58-D290 PolarHBondContact NZ-OD1 3.43Å; K58-D290 IonicContact NZ-OD2 3.55Å; K58-D290 PolarHBondContact NZ-OD2 2.96Å; H273-D290 IonicContact CE1-OD1 2.97Å; H273-D290 PolarHBondContact CE1-OD1 3.41Å; H273-D290 IonicContact CE1-OD2 2.65Å; H273-D290 IonicContact NE2-OD1 3.25Å; H273-D290 PolarHBondContact NE2-OD1 2.83Å
291L91.1Very high84.6Confident11 Ų1155 Ų556%0.05831%0.306CS..  trans-72.4134.6-178.5-64.3175.9000110.7L277 F281 D298 L302 W350L277-L291 HydrophobicContact CD1-CD1 3.87Å; L277-L291 HydrophobicContact CD1-CG 4.45Å; F281-L291 HydrophobicContact CE1-CD2 3.71Å; F281-L291 HydrophobicContact CE1-CG 4.02Å; F281-L291 HydrophobicContact CZ-CD2 4.15Å; L291-D298 HydrophobicContact CB-CB 4.25Å; L291-D298 HydrophobicContact CD2-CB 3.97Å; L291-L302 HydrophobicContact CD1-CB 3.97Å; L291-L302 HydrophobicContact CD1-CD1 3.92Å; L291-L302 HydrophobicContact CD1-CD2 4.27Å; L291-L302 HydrophobicContact CD1-CG 4.26Å; L291-W350 HydrophobicContact CD1-CH2 4.12Å; L291-W350 HydrophobicContact CD1-CZ2 4.05Å; L291-W350 HydrophobicContact CD2-CH2 4.03Å; L291-W350 HydrophobicContact CD2-CZ2 4.16Å; L291-W350 HydrophobicContact CG-CH2 4.38Å
292K87.2Confident84.8Confident121 Ų12154.6 Ų54.653%0.52631%0.305SS..  trans-106.4121.3178.9-61.6179.9-178.8179.10110.5E294 H295 D298K292-E294 PolarHBondContact O-N 3.36Å; K292-H295 PolarHBondContact O-N 2.99Å; K292-D298 PolarHBondContact N-OD2 3.42Å; K292-D298 WeakPolarHBondContact O-CB 3.47Å
293Y89.5Confident85.1Confident17 Ų1752.1 Ų52.17%0.06729%0.287CS..THydrogen-bonded Turntrans-69.3-3.9-179.7-57.7-26.6000115I53 I54 R56 R270 H273 H295 V299 L302I53-Y293 WeakPolarHBondContact CB-O 3.28Å; I53-Y293 PolarHBondContact N-O 3.5Å; I54-Y293 HydrophobicContact CB-CD2 3.73Å; I54-Y293 HydrophobicContact CB-CE2 4.32Å; I54-Y293 HydrophobicContact CB-CG 3.87Å; I54-Y293 HydrophobicContact CD1-CD1 3.64Å; I54-Y293 HydrophobicContact CD1-CD2 4.03Å; I54-Y293 HydrophobicContact CD1-CE1 3.73Å; I54-Y293 HydrophobicContact CD1-CE2 4.11Å; I54-Y293 HydrophobicContact CD1-CG 3.79Å; I54-Y293 HydrophobicContact CG1-CD1 4.39Å; I54-Y293 HydrophobicContact CG1-CD2 4.36Å; I54-Y293 HydrophobicContact CG1-CG 4.12Å; I54-Y293 HydrophobicContact CG2-CD2 4.02Å; I54-Y293 HydrophobicContact CG2-CE2 4.19Å; R56-Y293 VanDerWaalsContact O-CD2 3.23Å; R56-Y293 WeakPolarHBondContact O-CD2 3.13Å; R56-Y293 WeakPolarHBondContact O-CE2 3.29Å; R270-Y293 HydrophobicContact CG-CE2 3.87Å; H273-Y293 AromaticContact ND1-CE1 3.87Å; H273-Y293 AromaticContact ND1-CZ 3.68Å; H273-Y293 PolarHBondContact ND1-OH 2.86Å; Y293-H295 VanDerWaalsContact C-N 3.32Å; Y293-V299 HydrophobicContact CD1-CG2 4.21Å; Y293-L302 HydrophobicContact CE1-CD2 4Å
294E80.7Confident85.4Confident97 Ų9752.6 Ų52.645%0.45329%0.292SS..THydrogen-bonded Turntrans-75.8-22.6169.2-62.2169.1-163.700111.8V50 P52 K292V50-E294 HydrophobicContact CG1-CB 4.19Å; P52-E294 HydrophobicContact CB-CG 4.31Å; K292-E294 PolarHBondContact O-N 3.36Å
295H78.9Confident86Confident65 Ų6547.6 Ų47.630%0.30127%0.265SS..  trans-98.7120.3-178.4-59.9-39000110.7K292 Y293 S297 D298 V299K292-H295 PolarHBondContact O-N 2.99Å; Y293-H295 VanDerWaalsContact C-N 3.32Å; H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 2.78Å; H295-D298 HydrophobicContact CB-CB 4.05Å; H295-D298 IonicContact CD2-OD2 3.76Å; H295-D298 PolarHBondContact O-N 2.97Å; H295-D298 VanDerWaalsContact O-N 3.12Å; H295-V299 PolarHBondContact O-N 3.35Å
296L76.8Confident86.5Confident20 Ų2040 Ų4011%0.10523%0.23CC..Hα-helixtrans-58.4-41.9178.1178.868.5000112I53 W113 F130 D298 V299 E300I53-L296 HydrophobicContact CD1-CB 3.77Å; I53-L296 HydrophobicContact CD1-CD1 3.86Å; I53-L296 HydrophobicContact CD1-CG 4.46Å; W113-L296 HydrophobicContact CH2-CD2 4.02Å; F130-L296 HydrophobicContact CB-CD2 3.5Å; F130-L296 HydrophobicContact CD1-CB 3.92Å; F130-L296 HydrophobicContact CD1-CD1 4.22Å; F130-L296 HydrophobicContact CD1-CD2 3.7Å; F130-L296 HydrophobicContact CD1-CG 4.14Å; F130-L296 HydrophobicContact CD2-CD2 4Å; F130-L296 HydrophobicContact CE1-CB 4.21Å; F130-L296 HydrophobicContact CE1-CD1 4.01Å; F130-L296 HydrophobicContact CE1-CD2 4.33Å; F130-L296 HydrophobicContact CE1-CG 4.4Å; F130-L296 HydrophobicContact CE2-CD1 4.41Å; F130-L296 HydrophobicContact CG-CD2 3.5Å; F130-L296 VanDerWaalsContact CG-CD2 3.5Å; F130-L296 HydrophobicContact CG-CG 4.39Å; F130-L296 HydrophobicContact CZ-CD1 4.09Å; L296-D298 PolarHBondContact O-N 3.3Å; L296-V299 PolarHBondContact O-N 3.48Å; L296-E300 WeakPolarHBondContact O-CB 3.1Å; L296-E300 PolarHBondContact O-N 3.07Å
297S80.7Confident87Confident48 Ų4839.9 Ų39.934%0.33621%0.213SC..Hα-helixtrans-54.2-43.617752.70000111.8H295 V299 E300 D301 K353H295-S297 VanDerWaalsContact C-N 3.29Å; H295-S297 PolarHBondContact O-N 2.78Å; S297-V299 PolarHBondContact O-N 3.42Å; S297-E300 PolarHBondContact O-N 2.85Å; S297-D301 VanDerWaalsContact O-CB 3.3Å; S297-D301 WeakPolarHBondContact O-CB 3.41Å; S297-D301 PolarHBondContact O-N 2.95Å; S297-K353 VanDerWaalsContact OG-CE 3.31Å; S297-K353 WeakPolarHBondContact OG-CE 3.47Å
298D87.5Confident87.1Confident4 Ų440.1 Ų40.12%0.02121%0.21CC..Hα-helixtrans-69.4-38.5-176.1-63.117.6000110.8L291 K292 H295 L296 L302 H352 K353L291-D298 HydrophobicContact CB-CB 4.25Å; L291-D298 HydrophobicContact CD2-CB 3.97Å; K292-D298 PolarHBondContact N-OD2 3.42Å; K292-D298 WeakPolarHBondContact O-CB 3.47Å; H295-D298 HydrophobicContact CB-CB 4.05Å; H295-D298 IonicContact CD2-OD2 3.76Å; H295-D298 PolarHBondContact O-N 2.97Å; H295-D298 VanDerWaalsContact O-N 3.12Å; L296-D298 PolarHBondContact O-N 3.3Å; D298-L302 VanDerWaalsContact O-CB 3.24Å; D298-L302 WeakPolarHBondContact O-CB 3.16Å; D298-L302 PolarHBondContact O-N 2.98Å; D298-H352 IonicContact OD1-CE1 3.12Å; D298-H352 PolarHBondContact OD1-CE1 3.01Å; D298-H352 VanDerWaalsContact OD1-CE1 3.3Å; D298-H352 IonicContact OD1-NE2 3.3Å; D298-K353 WeakPolarHBondContact OD1-CE 3.37Å; D298-K353 IonicContact OD1-NZ 2.64Å; D298-K353 PolarHBondContact OD1-NZ 3.42Å; D298-K353 IonicContact OD2-NZ 2.59Å
299V87.6Confident87.4Confident0 Ų035.5 Ų35.50%018%0.182CC..Hα-helixtrans-69.9-39.5176.7176.70000111.3I53 I54 L269 Y293 H295 L296 S297 R303I53-V299 HydrophobicContact CB-CG2 4.17Å; I53-V299 HydrophobicContact CD1-CG2 4.27Å; I53-V299 HydrophobicContact CG2-CG1 4.16Å; I53-V299 HydrophobicContact CG2-CG2 4.35Å; I54-V299 HydrophobicContact CD1-CG1 4.31Å; I54-V299 HydrophobicContact CD1-CG2 4.3Å; I54-V299 HydrophobicContact CG1-CG1 4.38Å; I54-V299 HydrophobicContact CG1-CG2 4.33Å; L269-V299 HydrophobicContact CD2-CG1 4.21Å; Y293-V299 HydrophobicContact CD1-CG2 4.21Å; H295-V299 PolarHBondContact O-N 3.35Å; L296-V299 PolarHBondContact O-N 3.48Å; S297-V299 PolarHBondContact O-N 3.42Å; V299-R303 WeakPolarHBondContact O-CG 3.43Å; V299-R303 PolarHBondContact O-N 2.96Å
300E85.6Confident87.4Confident28 Ų2833.2 Ų33.213%0.13117%0.168CC..Hα-helixtrans-67.4-51.4179.1-16964.4-172.900111.4L110 L296 S297 L302 R303 T304L110-E300 VanDerWaalsContact CB-OE1 3.27Å; L110-E300 WeakPolarHBondContact CB-OE1 3.44Å; L110-E300 WeakPolarHBondContact CD1-OE1 3.41Å; L110-E300 WeakPolarHBondContact CD1-OE2 3.32Å; L110-E300 WeakPolarHBondContact CG-OE1 3.39Å; L296-E300 WeakPolarHBondContact O-CB 3.1Å; L296-E300 PolarHBondContact O-N 3.07Å; S297-E300 PolarHBondContact O-N 2.85Å; E300-L302 PolarHBondContact O-N 3.14Å; E300-R303 WeakPolarHBondContact O-CA 3.13Å; E300-R303 WeakPolarHBondContact O-CB 3.35Å; E300-R303 PolarHBondContact O-N 3.43Å; E300-T304 PolarHBondContact O-N 3.47Å; E300-T304 PolarHBondContact O-OG1 2.96Å; E300-T304 VanDerWaalsContact O-OG1 3.14Å
301D88.9Confident87.3Confident31 Ų3134.9 Ų34.917%0.16617%0.173CC..Hα-helixtrans-57.9-35.8178.3-64.7-16.5000110.9S297 L305 W350 H352 K353S297-D301 VanDerWaalsContact O-CB 3.3Å; S297-D301 WeakPolarHBondContact O-CB 3.41Å; S297-D301 PolarHBondContact O-N 2.95Å; D301-L305 WeakPolarHBondContact O-CB 3.46Å; D301-L305 PolarHBondContact O-N 2.98Å; D301-W350 HydrophobicContact CB-CZ2 4.34Å; D301-W350 PolarHBondContact O-NE1 2.87Å; D301-H352 WeakPolarHBondContact OD2-CA 3.29Å; D301-H352 IonicContact OD2-CE1 2.64Å; D301-H352 IonicContact OD2-CG 3.15Å; D301-H352 IonicContact OD2-ND1 2.72Å; D301-H352 PolarHBondContact OD2-ND1 3.29Å; D301-K353 PolarHBondContact OD2-N 2.81Å
302L91.3Very high87.2Confident1 Ų136.8 Ų36.81%0.00519%0.187CC..Hα-helixtrans-70.8-38.3175.1-175.862.2000112.8L269 F272 H273 L291 Y293 D298 E300 L305 M306L269-L302 HydrophobicContact CD1-CB 4.42Å; L269-L302 HydrophobicContact CD1-CD2 3.95Å; L269-L302 HydrophobicContact CD1-CG 3.66Å; L269-L302 HydrophobicContact CD2-CD2 4.28Å; L269-L302 HydrophobicContact CG-CD2 3.73Å; L269-L302 HydrophobicContact CG-CG 4.03Å; F272-L302 HydrophobicContact CD1-CD1 3.93Å; F272-L302 HydrophobicContact CE1-CD1 4.11Å; H273-L302 HydrophobicContact CB-CD1 4.19Å; H273-L302 HydrophobicContact CB-CD2 3.85Å; L291-L302 HydrophobicContact CD1-CB 3.97Å; L291-L302 HydrophobicContact CD1-CD1 3.92Å; L291-L302 HydrophobicContact CD1-CD2 4.27Å; L291-L302 HydrophobicContact CD1-CG 4.26Å; Y293-L302 HydrophobicContact CE1-CD2 4Å; D298-L302 VanDerWaalsContact O-CB 3.24Å; D298-L302 WeakPolarHBondContact O-CB 3.16Å; D298-L302 PolarHBondContact O-N 2.98Å; E300-L302 PolarHBondContact O-N 3.14Å; L302-L305 PolarHBondContact O-N 3.36Å; L302-M306 WeakPolarHBondContact O-CB 3.39Å; L302-M306 PolarHBondContact O-N 3.44Å
303R90.7Very high87.3Confident3 Ų331 Ų311%0.01116%0.162CC..Hα-helixtrans-65.8-45.9175.1-78.9177177.6148.3-3.5111F19 E240 L269 V299 E300 L305 M306 E307F19-R303 VanDerWaalsContact CZ-NH2 3.35Å; E240-R303 IonicContact OE1-CZ 3.53Å; E240-R303 IonicContact OE1-NH2 3.6Å; E240-R303 PolarHBondContact OE1-NH2 3.18Å; E240-R303 IonicContact OE2-NH2 2.65Å; L269-R303 HydrophobicContact CD1-CG 4.02Å; L269-R303 HydrophobicContact CD2-CG 3.66Å; V299-R303 WeakPolarHBondContact O-CG 3.43Å; V299-R303 PolarHBondContact O-N 2.96Å; E300-R303 WeakPolarHBondContact O-CA 3.13Å; E300-R303 WeakPolarHBondContact O-CB 3.35Å; E300-R303 PolarHBondContact O-N 3.43Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.28Å; R303-M306 WeakPolarHBondContact O-CB 3.24Å; R303-M306 PolarHBondContact O-N 2.86Å; R303-M306 VanDerWaalsContact O-N 3.16Å; R303-E307 WeakPolarHBondContact O-CG 3.44Å; R303-E307 PolarHBondContact O-N 3.46Å
304T89.5Confident87.1Confident46 Ų4630.9 Ų30.928%0.28216%0.163SC..Hα-helixtrans-59.6-43.9175.6-53.30000110.9E300 M306 E307 N308E300-T304 PolarHBondContact O-N 3.47Å; E300-T304 PolarHBondContact O-OG1 2.96Å; E300-T304 VanDerWaalsContact O-OG1 3.14Å; T304-M306 PolarHBondContact O-N 2.94Å; T304-E307 PolarHBondContact O-N 2.99Å; T304-N308 WeakPolarHBondContact O-CB 3.24Å; T304-N308 PolarHBondContact O-N 3.1Å; T304-N308 PolarHBondContact O-ND2 3.39Å
305L91.4Very high87.4Confident2 Ų228.6 Ų28.61%0.0116%0.157CC..Hα-helixtrans-59.5-45.5174.4175.756.6000112.2F272 V276 D301 L302 R303 S309 L348 W350 I359F272-L305 HydrophobicContact CE1-CB 4.42Å; F272-L305 HydrophobicContact CE1-CD2 4.11Å; F272-L305 HydrophobicContact CE1-CG 3.86Å; F272-L305 HydrophobicContact CZ-CG 4Å; V276-L305 HydrophobicContact CG1-CD2 4.38Å; D301-L305 WeakPolarHBondContact O-CB 3.46Å; D301-L305 PolarHBondContact O-N 2.98Å; L302-L305 PolarHBondContact O-N 3.36Å; R303-L305 VanDerWaalsContact C-N 3.31Å; R303-L305 PolarHBondContact O-N 3.28Å; L305-S309 WeakPolarHBondContact O-CB 3.19Å; L305-S309 PolarHBondContact O-N 3.32Å; L305-L348 HydrophobicContact CD1-CB 4.3Å; L305-L348 HydrophobicContact CD1-CD1 3.74Å; L305-W350 HydrophobicContact CB-CG 4.3Å; L305-W350 HydrophobicContact CD1-CB 4.11Å; L305-W350 HydrophobicContact CD1-CG 4.15Å; L305-W350 HydrophobicContact CD2-CD2 3.98Å; L305-W350 HydrophobicContact CD2-CG 4.02Å; L305-W350 HydrophobicContact CG-CG 4.37Å; L305-I359 HydrophobicContact CD1-CD1 3.57Å; L305-I359 HydrophobicContact CD2-CD1 3.52Å; L305-I359 HydrophobicContact CG-CD1 4.18Å
306M91.4Very high87.7Confident6 Ų626.7 Ų26.73%0.0315%0.149CC..Hα-helixtrans-61.1-48.4177.7-172.9-178.872.700111.3V268 L269 F272 L302 R303 T304 N308 S309 V310V268-M306 HydrophobicContact CG1-SD 3.84Å; L269-M306 HydrophobicContact CD1-CB 4.2Å; L269-M306 HydrophobicContact CD1-CE 4.05Å; L269-M306 HydrophobicContact CD1-SD 3.69Å; F272-M306 HydrophobicContact CB-CG 4.42Å; F272-M306 HydrophobicContact CB-SD 4.24Å; F272-M306 HydrophobicContact CD1-CB 3.78Å; F272-M306 HydrophobicContact CD1-CG 4.02Å; F272-M306 HydrophobicContact CD2-CB 4.46Å; F272-M306 HydrophobicContact CD2-CG 3.99Å; F272-M306 HydrophobicContact CE1-CB 3.71Å; F272-M306 HydrophobicContact CE1-CG 4.28Å; F272-M306 HydrophobicContact CE2-CB 4.39Å; F272-M306 HydrophobicContact CE2-CG 4.23Å; F272-M306 HydrophobicContact CG-CB 4.17Å; F272-M306 HydrophobicContact CG-CG 3.87Å; F272-M306 HydrophobicContact CG-SD 4.31Å; F272-M306 VanDerWaalsContact CZ-CA 3.5Å; F272-M306 HydrophobicContact CZ-CB 4.03Å; F272-M306 HydrophobicContact CZ-CG 4.38Å; L302-M306 WeakPolarHBondContact O-CB 3.39Å; L302-M306 PolarHBondContact O-N 3.44Å; R303-M306 WeakPolarHBondContact O-CB 3.24Å; R303-M306 PolarHBondContact O-N 2.86Å; R303-M306 VanDerWaalsContact O-N 3.16Å; T304-M306 PolarHBondContact O-N 2.94Å; M306-N308 PolarHBondContact O-N 3.3Å; M306-S309 PolarHBondContact O-N 2.99Å; M306-S309 PolarHBondContact O-OG 3.47Å; M306-V310 VanDerWaalsContact O-CG2 3.3Å; M306-V310 WeakPolarHBondContact O-CG2 3.38Å; M306-V310 PolarHBondContact O-N 2.86Å
307E89.1Confident88.1Confident55 Ų5526.8 Ų26.826%0.25715%0.149SC..Hα-helixtrans-60.6-45.9178.9-72.2169.1-176.100111.9R265 R303 T304 S309 V310 Q311R265-E307 IonicContact CZ-OE1 2.7Å; R265-E307 IonicContact NH2-OE1 2.68Å; R265-E307 PolarHBondContact NH2-OE1 3.46Å; R303-E307 WeakPolarHBondContact O-CG 3.44Å; R303-E307 PolarHBondContact O-N 3.46Å; T304-E307 PolarHBondContact O-N 2.99Å; E307-S309 VanDerWaalsContact C-N 3.33Å; E307-S309 PolarHBondContact O-N 3.11Å; E307-V310 PolarHBondContact O-N 3.01Å; E307-Q311 PolarHBondContact O-N 3.24Å
308N89Confident88.3Confident73 Ų7327.3 Ų27.339%0.3915%0.152SC..Hα-helixtrans-60.2-43.3175.1-71.1-12.9000111.6T304 M306 V310 Q311 C312T304-N308 WeakPolarHBondContact O-CB 3.24Å; T304-N308 PolarHBondContact O-N 3.1Å; T304-N308 PolarHBondContact O-ND2 3.39Å; M306-N308 PolarHBondContact O-N 3.3Å; N308-V310 VanDerWaalsContact C-N 3.3Å; N308-V310 PolarHBondContact O-N 2.81Å; N308-Q311 PolarHBondContact O-N 2.95Å; N308-C312 PolarHBondContact O-N 2.93Å; N308-C312 PolarHBondContact O-SG 2.69Å; N308-C312 VanDerWaalsContact O-SG 3.37Å
309S90.3Very high88.1Confident0 Ų032.3 Ų32.30%018%0.176CC..Hα-helixtrans-61.9-37.8178.578.90000112.6F272 L305 M306 E307 T313 L348 V367F272-S309 WeakPolarHBondContact CE2-OG 3.42Å; F272-S309 WeakPolarHBondContact CZ-OG 3.32Å; L305-S309 WeakPolarHBondContact O-CB 3.19Å; L305-S309 PolarHBondContact O-N 3.32Å; M306-S309 PolarHBondContact O-N 2.99Å; M306-S309 PolarHBondContact O-OG 3.47Å; E307-S309 VanDerWaalsContact C-N 3.33Å; E307-S309 PolarHBondContact O-N 3.11Å; S309-T313 WeakPolarHBondContact O-CB 3.43Å; S309-T313 PolarHBondContact O-N 3.01Å; S309-T313 PolarHBondContact O-OG1 2.8Å; S309-L348 VanDerWaalsContact CB-CD1 3.46Å; S309-V367 WeakPolarHBondContact OG-CG1 3.24Å
310V89.2Confident87.6Confident4 Ų433.7 Ų33.72%0.02418%0.182CC..Hα-helixtrans-71.8-43.8178.1178.90000110.3M306 E307 N308 C312 T313 I314 V367 H371 V528 I532M306-V310 VanDerWaalsContact O-CG2 3.3Å; M306-V310 WeakPolarHBondContact O-CG2 3.38Å; M306-V310 PolarHBondContact O-N 2.86Å; E307-V310 PolarHBondContact O-N 3.01Å; N308-V310 VanDerWaalsContact C-N 3.3Å; N308-V310 PolarHBondContact O-N 2.81Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 2.85Å; V310-T313 WeakPolarHBondContact O-CB 3.31Å; V310-T313 PolarHBondContact O-N 3.04Å; V310-T313 VanDerWaalsContact O-N 3.12Å; V310-I314 HydrophobicContact CG1-CD1 4.03Å; V310-I314 HydrophobicContact CG1-CG1 4.3Å; V310-I314 WeakPolarHBondContact O-CG1 3.26Å; V310-I314 PolarHBondContact O-N 2.94Å; V310-V367 HydrophobicContact CB-CG1 4.35Å; V310-V367 HydrophobicContact CG2-CG1 3.6Å; V310-H371 WeakPolarHBondContact CG2-CE1 3.38Å; V310-H371 WeakPolarHBondContact CG2-NE2 3.45Å; V310-V528 HydrophobicContact CB-CB 4.24Å; V310-V528 HydrophobicContact CB-CG2 3.75Å; V310-V528 HydrophobicContact CG1-CB 3.45Å; V310-V528 VanDerWaalsContact CG1-CB 3.45Å; V310-V528 HydrophobicContact CG1-CG1 3.92Å; V310-V528 HydrophobicContact CG1-CG2 3.55Å; V310-I532 HydrophobicContact CG1-CD1 3.89Å
311Q87.8Confident87.3Confident100 Ų10036.4 Ų36.447%0.46720%0.197SC..Hα-helixtrans-59.4-44.7177.5-174.15937.500111.8E307 N308 S315E307-Q311 PolarHBondContact O-N 3.24Å; N308-Q311 PolarHBondContact O-N 2.95Å; Q311-S315 WeakPolarHBondContact O-CB 3.22Å; Q311-S315 PolarHBondContact O-N 3.38Å; Q311-S315 PolarHBondContact O-OG 3.5Å
312C88.3Confident86.8Confident52 Ų5240.9 Ų40.935%0.35122%0.218SC..Hα-helixtrans-61.4-44.1172.9-69.50000112.2N308 V310 S315 L316 I346 L348N308-C312 PolarHBondContact O-N 2.93Å; N308-C312 PolarHBondContact O-SG 2.69Å; N308-C312 VanDerWaalsContact O-SG 3.37Å; V310-C312 VanDerWaalsContact C-N 3.34Å; V310-C312 PolarHBondContact O-N 2.85Å; C312-S315 PolarHBondContact O-N 3.11Å; C312-L316 WeakPolarHBondContact O-CB 3.47Å; C312-L316 PolarHBondContact O-N 3.42Å; C312-I346 HydrophobicContact CB-CD1 4.2Å; C312-I346 HydrophobicContact CB-CG2 3.58Å; C312-L348 HydrophobicContact CB-CD2 4.19Å
313T88.5Confident86.1Confident0 Ų045.6 Ų45.60%024%0.238CC..Hα-helixtrans-59.9-48.1178.6-63.30000111.9S309 V310 L316 L317 I346 P364 L368S309-T313 WeakPolarHBondContact O-CB 3.43Å; S309-T313 PolarHBondContact O-N 3.01Å; S309-T313 PolarHBondContact O-OG1 2.8Å; V310-T313 WeakPolarHBondContact O-CB 3.31Å; V310-T313 PolarHBondContact O-N 3.04Å; V310-T313 VanDerWaalsContact O-N 3.12Å; T313-L316 WeakPolarHBondContact O-CB 3.42Å; T313-L316 PolarHBondContact O-N 3.1Å; T313-L317 HydrophobicContact CG2-CD1 4.12Å; T313-L317 WeakPolarHBondContact O-CG 3.29Å; T313-L317 PolarHBondContact O-N 2.78Å; T313-I346 WeakPolarHBondContact OG1-CD1 3.31Å; T313-P364 HydrophobicContact CG2-CB 4Å; T313-L368 HydrophobicContact CG2-CD1 4.5Å; T313-L368 HydrophobicContact CG2-CD2 3.84Å; T313-L368 HydrophobicContact CG2-CG 3.98Å
314I86.3Confident85.1Confident14 Ų1448.6 Ų48.67%0.07225%0.254CS..Hα-helixtrans-66.4-41.8179.8-67.1-176.5000110.8V310 L316 L317 C318 V528V310-I314 HydrophobicContact CG1-CD1 4.03Å; V310-I314 HydrophobicContact CG1-CG1 4.3Å; V310-I314 WeakPolarHBondContact O-CG1 3.26Å; V310-I314 PolarHBondContact O-N 2.94Å; I314-L316 VanDerWaalsContact C-N 3.26Å; I314-L316 PolarHBondContact O-N 3.35Å; I314-L317 PolarHBondContact O-N 3.25Å; I314-C318 PolarHBondContact O-N 3.03Å; I314-C318 PolarHBondContact O-SG 2.87Å; I314-C318 VanDerWaalsContact O-SG 3.35Å; I314-V528 HydrophobicContact CD1-CB 4.14Å; I314-V528 HydrophobicContact CD1-CG1 3.45Å; I314-V528 VanDerWaalsContact CD1-CG1 3.45Å; I314-V528 HydrophobicContact CG1-CG1 4.49Å
315S86.9Confident84.5Confident48 Ų4853.3 Ų53.334%0.33627%0.271SS..Hα-helixtrans-60.2-41.1179.5-57.90000111.1Q311 C312 C318 Q319Q311-S315 WeakPolarHBondContact O-CB 3.22Å; Q311-S315 PolarHBondContact O-N 3.38Å; Q311-S315 PolarHBondContact O-OG 3.5Å; C312-S315 PolarHBondContact O-N 3.11Å; S315-C318 PolarHBondContact O-N 3.33Å; S315-Q319 WeakPolarHBondContact O-CG 3.32Å; S315-Q319 PolarHBondContact O-N 2.9Å; S315-Q319 VanDerWaalsContact O-N 3.09Å
316L85.3Confident83.5Confident25 Ų2558.1 Ų58.113%0.13130%0.296CS..Hα-helixtrans-64-46.4174.8177.471.1000112.4C312 T313 I314 C318 Q319 Q320 Y344 P364C312-L316 WeakPolarHBondContact O-CB 3.47Å; C312-L316 PolarHBondContact O-N 3.42Å; T313-L316 WeakPolarHBondContact O-CB 3.42Å; T313-L316 PolarHBondContact O-N 3.1Å; I314-L316 VanDerWaalsContact C-N 3.26Å; I314-L316 PolarHBondContact O-N 3.35Å; L316-C318 VanDerWaalsContact C-N 3.32Å; L316-C318 PolarHBondContact O-N 2.9Å; L316-Q319 PolarHBondContact O-N 2.93Å; L316-Q320 PolarHBondContact O-N 2.64Å; L316-Y344 HydrophobicContact CD1-CD1 3.55Å; L316-Y344 HydrophobicContact CD1-CE1 4.27Å; L316-Y344 HydrophobicContact CD1-CG 4.03Å; L316-Y344 HydrophobicContact CD2-CG 4.5Å; L316-P364 HydrophobicContact CD2-CB 4.3Å; L316-P364 HydrophobicContact CD2-CG 3.33Å
317L84.6Confident82.1Confident22 Ų2263.2 Ų63.212%0.11532%0.323CS..Hα-helixtrans-61.7-39.7177.6-71.5172.7000112F81 L83 T313 I314 Q320 N321 L368F81-L317 HydrophobicContact CB-CD2 4.35Å; F81-L317 HydrophobicContact CD1-CD1 4.13Å; L83-L317 HydrophobicContact CD2-CD2 3.76Å; L83-L317 HydrophobicContact CG-CD2 4.46Å; T313-L317 HydrophobicContact CG2-CD1 4.12Å; T313-L317 WeakPolarHBondContact O-CG 3.29Å; T313-L317 PolarHBondContact O-N 2.78Å; I314-L317 PolarHBondContact O-N 3.25Å; L317-Q320 PolarHBondContact O-N 3.12Å; L317-N321 PolarHBondContact O-N 3.47Å; L317-L368 HydrophobicContact CD1-CD1 4.45Å; L317-L368 HydrophobicContact CD1-CD2 4.43Å
318C84.6Confident80.9Confident59 Ų5968.2 Ų68.240%0.39935%0.347SS..Hα-helixtrans-62-47.3174.9-72.40000111.6I314 S315 L316 Q320 N321 E322I314-C318 PolarHBondContact O-N 3.03Å; I314-C318 PolarHBondContact O-SG 2.87Å; I314-C318 VanDerWaalsContact O-SG 3.35Å; S315-C318 PolarHBondContact O-N 3.33Å; L316-C318 VanDerWaalsContact C-N 3.32Å; L316-C318 PolarHBondContact O-N 2.9Å; C318-Q320 VanDerWaalsContact C-N 3.3Å; C318-Q320 PolarHBondContact O-N 2.87Å; C318-N321 PolarHBondContact O-N 3.07Å; C318-E322 WeakPolarHBondContact O-CG 3.2Å; C318-E322 PolarHBondContact O-N 3.35Å
319Q84Confident79.7Confident110 Ų11072.6 Ų72.651%0.51437%0.365SS..Hα-helixtrans-60.7-38.6176.7-72.5174.52.900112.3S315 L316 E322 K323S315-Q319 WeakPolarHBondContact O-CG 3.32Å; S315-Q319 PolarHBondContact O-N 2.9Å; S315-Q319 VanDerWaalsContact O-N 3.09Å; L316-Q319 PolarHBondContact O-N 2.93Å; Q319-E322 PolarHBondContact O-N 2.86Å; Q319-K323 WeakPolarHBondContact O-CG 3.46Å; Q319-K323 PolarHBondContact O-N 2.94Å
320Q77.8Confident78Confident29 Ų2978.5 Ų78.514%0.13640%0.395CS..Hα-helixtrans-65.1-43.6176.5-172.2-178.2-1200111.4N82 L316 L317 C318 E322 K323 N324N82-Q320 PolarHBondContact O-NE2 2.91Å; L316-Q320 PolarHBondContact O-N 2.64Å; L317-Q320 PolarHBondContact O-N 3.12Å; C318-Q320 VanDerWaalsContact C-N 3.3Å; C318-Q320 PolarHBondContact O-N 2.87Å; Q320-E322 VanDerWaalsContact C-N 3.31Å; Q320-E322 PolarHBondContact O-N 2.86Å; Q320-K323 PolarHBondContact O-N 2.93Å; Q320-N324 PolarHBondContact O-N 2.9Å; Q320-N324 PolarHBondContact O-ND2 2.96Å; Q320-N324 PolarHBondContact O-OD1 3.45Å
321N77.7Confident75.8Confident84 Ų8484.9 Ų84.945%0.44943%0.425SS..Hα-helixtrans-63.2-36.1176.2-79-19.1000112.6L317 C318 K325L317-N321 PolarHBondContact O-N 3.47Å; C318-N321 PolarHBondContact O-N 3.07Å; N321-K325 WeakPolarHBondContact O-CG 3.45Å; N321-K325 PolarHBondContact O-N 2.8Å
322E78.8Confident74Confident126 Ų12686.6 Ų86.659%0.58944%0.444SS*.Hα-helixtrans-66.7-44.8174.7-72.6179.1169.100112.1C318 Q319 Q320 K325 L326C318-E322 WeakPolarHBondContact O-CG 3.2Å; C318-E322 PolarHBondContact O-N 3.35Å; Q319-E322 PolarHBondContact O-N 2.86Å; Q320-E322 VanDerWaalsContact C-N 3.31Å; Q320-E322 PolarHBondContact O-N 2.86Å; E322-K325 PolarHBondContact O-N 2.88Å; E322-L326 WeakPolarHBondContact O-CD1 3.5Å; E322-L326 PolarHBondContact O-N 2.8Å; E322-L326 VanDerWaalsContact O-N 3.12Å
323K76.2Confident71.6Confident100 Ų10091.8 Ų91.844%0.43546%0.461SS..Hα-helixtrans-60-46.3175.8-73178.6-177.5177.40112.1Q319 Q320 K325 L326 D327Q319-K323 WeakPolarHBondContact O-CG 3.46Å; Q319-K323 PolarHBondContact O-N 2.94Å; Q320-K323 PolarHBondContact O-N 2.93Å; K323-K325 VanDerWaalsContact C-N 3.29Å; K323-K325 PolarHBondContact O-N 2.85Å; K323-L326 WeakPolarHBondContact O-CB 3.24Å; K323-L326 PolarHBondContact O-N 3.46Å; K323-L326 VanDerWaalsContact O-N 3.13Å; K323-D327 PolarHBondContact O-N 3.05Å
324N71.7Confident69.1Low66 Ų6696.1 Ų96.135%0.35350%0.497SS..Hα-helixtrans-60.2-38.2178.9-67.9-12.3000112.2Q320 D327 E328Q320-N324 PolarHBondContact O-N 2.9Å; Q320-N324 PolarHBondContact O-ND2 2.96Å; Q320-N324 PolarHBondContact O-OD1 3.45Å; N324-D327 PolarHBondContact O-N 2.85Å; N324-E328 WeakPolarHBondContact O-CG 3.3Å; N324-E328 PolarHBondContact O-N 3.09Å; N324-E328 VanDerWaalsContact O-N 3.11Å
325K75.3Confident66.7Low144 Ų144102.6 Ų102.663%0.62653%0.531SS*.Hα-helixtrans-66.3-39.9175.5-74.4177.7179.9-177.80112.6N321 E322 K323 E328 E329N321-K325 WeakPolarHBondContact O-CG 3.45Å; N321-K325 PolarHBondContact O-N 2.8Å; E322-K325 PolarHBondContact O-N 2.88Å; K323-K325 VanDerWaalsContact C-N 3.29Å; K323-K325 PolarHBondContact O-N 2.85Å; K325-E328 PolarHBondContact O-N 3.19Å; K325-E329 PolarHBondContact O-N 2.92Å
326L70.7Confident64.4Low104 Ų104109.8 Ų109.855%0.54556%0.56SS.*Hα-helixtrans-65.3-40176.5-80.2151.2000111.8E322 K323 E328 E329 I330E322-L326 WeakPolarHBondContact O-CD1 3.5Å; E322-L326 PolarHBondContact O-N 2.8Å; E322-L326 VanDerWaalsContact O-N 3.12Å; K323-L326 WeakPolarHBondContact O-CB 3.24Å; K323-L326 PolarHBondContact O-N 3.46Å; K323-L326 VanDerWaalsContact O-N 3.13Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 2.65Å; L326-E329 PolarHBondContact O-N 2.95Å; L326-I330 PolarHBondContact O-N 2.91Å
327D62Low62.2Low112 Ų112112.7 Ų112.760%0.59958%0.582SS**Hα-helixtrans-68.8-29.3177.1-69.8-25.7000112.3K323 N324K323-D327 PolarHBondContact O-N 3.05Å; N324-D327 PolarHBondContact O-N 2.85Å
328E63.4Low59.8Low161 Ų161118.5 Ų118.575%0.75261%0.613SS**Hα-helixtrans-73.2-32.2173.6-76.7-179.6177.500113.4N324 K325 L326N324-E328 WeakPolarHBondContact O-CG 3.3Å; N324-E328 PolarHBondContact O-N 3.09Å; N324-E328 VanDerWaalsContact O-N 3.11Å; K325-E328 PolarHBondContact O-N 3.19Å; L326-E328 VanDerWaalsContact C-N 3.32Å; L326-E328 PolarHBondContact O-N 2.65Å
329E63.9Low57.5Low165 Ų165123.4 Ų123.477%0.77163%0.634SS**Hα-helixtrans-74.3-29.1178.3-75.7-17417600113K325 L326 Q331K325-E329 PolarHBondContact O-N 2.92Å; L326-E329 PolarHBondContact O-N 2.95Å; E329-Q331 PolarHBondContact O-N 3.43Å
330I54.5Low55.3Low124 Ų124123.5 Ų123.564%0.63664%0.638SS**SBendtrans-83.8103.4173.8-57.9170.6000107.5L326L326-I330 PolarHBondContact O-N 2.91Å
331Q43.3Very low53.8Low137 Ų137126.8 Ų126.864%0.6466%0.656SS**  trans-28.6138.6-178.8-77.9-168.3-6.200114.8E329 K333E329-Q331 PolarHBondContact O-N 3.43Å; Q331-K333 PolarHBondContact O-N 3.25Å
332P49.4Very low52.5Low136 Ų136127.6 Ų127.688%0.88366%0.661SS**  trans-77.177.3-177.334.2-33.9000109.3
333K37.9Very low51.4Low162 Ų162128.8 Ų128.870%0.70466%0.664SS**  trans-109.9101.8169.8-79-175.8179172.80107.9Q331Q331-K333 PolarHBondContact O-N 3.25Å
334A38Very low51.1Low90 Ų90127.5 Ų127.574%0.74466%0.657SS**  trans45.893.415600000114.8
335N34.8Very low51.5Low150 Ų150127.1 Ų127.180%0.80266%0.655SS**  trans-153.174.3146.6-85.9-30.1000109.1S337N335-S337 PolarHBondContact O-N 2.63Å
336E37.7Very low51.9Low199 Ų199120.9 Ų120.993%0.9363%0.629SS**  trans-64.581.5147.2-75.7-176.9160.200107.7
337S39.7Very low52.6Low87 Ų87120.4 Ų120.461%0.60863%0.63SS**SBendtrans155.491.8159.245.60000109.1N335N335-S337 PolarHBondContact O-N 2.63Å
338L34Very low53.7Low144 Ų144115.3 Ų115.375%0.75460%0.603SS**  trans162.939.7151-87.5157.3000110.2N340L338-N340 PolarHBondContact O-N 3.38Å
339L37.6Very low54.8Low162 Ų162112.9 Ų112.985%0.84859%0.592SS**  trans-68.868.9148.5-72.2171.4000107N341L339-N341 PolarHBondContact O-N 3.32Å
340N37.9Very low56Low111 Ų111105.4 Ų105.459%0.59456%0.556SS**  trans-61.893.1150.9-88.6-1.7000104.2L338 D342L338-N340 PolarHBondContact O-N 3.38Å; N340-D342 PolarHBondContact O-N 3.42Å
341N44.4Very low57.4Low98 Ų98102.2 Ų102.252%0.52454%0.543SS..  trans-62.572.1159.3-91.9-13.9000106.3L339 F343L339-N341 PolarHBondContact O-N 3.32Å; N341-F343 PolarHBondContact O-N 3.08Å
342D51.3Low59.4Low102 Ų10296.1 Ų96.155%0.54551%0.514SS..  trans-57.5114.5168.1-80-21.9000105.5N340 Y344N340-D342 PolarHBondContact O-N 3.42Å; D342-Y344 VanDerWaalsContact O-CD2 3.25Å; D342-Y344 WeakPolarHBondContact O-CD2 3.17Å; D342-Y344 PolarHBondContact O-N 2.98Å
343F55.4Low60.9Low150 Ų15094.4 Ų94.466%0.65849%0.493SS*.  trans-55.4103-176.8-62.4-90.7000108.6L86 N341 N345L86-F343 HydrophobicContact CD1-CD1 4.47Å; L86-F343 HydrophobicContact CD2-CD1 4.02Å; L86-F343 HydrophobicContact CD2-CE1 3.93Å; N341-F343 PolarHBondContact O-N 3.08Å; F343-N345 PolarHBondContact O-N 2.9Å
344Y70.2Confident62.8Low74 Ų7494.8 Ų94.829%0.2950%0.497SS..  trans-78.359.5179.2-62.7-71.6000110.9L316 D342 P364L316-Y344 HydrophobicContact CD1-CD1 3.55Å; L316-Y344 HydrophobicContact CD1-CE1 4.27Å; L316-Y344 HydrophobicContact CD1-CG 4.03Å; L316-Y344 HydrophobicContact CD2-CG 4.5Å; D342-Y344 VanDerWaalsContact O-CD2 3.25Å; D342-Y344 WeakPolarHBondContact O-CD2 3.17Å; D342-Y344 PolarHBondContact O-N 2.98Å; Y344-P364 WeakPolarHBondContact O-CD 3.17Å; Y344-P364 VanDerWaalsContact O-CG 3.29Å; Y344-P364 WeakPolarHBondContact O-CG 3.45Å
345N80.1Confident65Low58 Ų5893.2 Ų93.231%0.3148%0.476SS..  trans-79.7138.6170.7-74.4-16.8000109.5F343F343-N345 PolarHBondContact O-N 2.9Å
346I83.6Confident67.4Low12 Ų1287.4 Ų87.46%0.06244%0.444CS..EExtended strand (participates in β ladder)trans-85.3132.4173.4-54.7170.4000107.6C312 T313 L348 L362 P364C312-I346 HydrophobicContact CB-CD1 4.2Å; C312-I346 HydrophobicContact CB-CG2 3.58Å; T313-I346 WeakPolarHBondContact OG1-CD1 3.31Å; I346-L348 HydrophobicContact CG2-CD2 3.5Å; I346-L348 HydrophobicContact CG2-CG 3.79Å; I346-L362 HydrophobicContact CB-CB 4.41Å; I346-L362 WeakPolarHBondContact CB-O 3.48Å; I346-L362 PolarHBondContact N-O 2.76Å; I346-L362 WeakPolarHBondContact O-CB 3.03Å; I346-L362 PolarHBondContact O-N 3.34Å; I346-P364 HydrophobicContact CD1-CB 4.42Å; I346-P364 HydrophobicContact CD1-CG 4.15Å; I346-P364 HydrophobicContact CG1-CG 4.25Å
347T84.6Confident69.8Low94 Ų9478.1 Ų78.158%0.57740%0.401SS*.EExtended strand (participates in β ladder)trans-104.3124.5165.2-57.60000107.5I359T347-I359 CarbonylContact C-O 3Å; T347-I359 WeakPolarHBondContact CA-O 3.48Å
348L87Confident72Confident6 Ų675.8 Ų75.83%0.03138%0.382CS..EExtended strand (participates in β ladder)trans-113.9141.2179.8-60.3172.9000110.1L305 S309 C312 I346 I359 L362L305-L348 HydrophobicContact CD1-CB 4.3Å; L305-L348 HydrophobicContact CD1-CD1 3.74Å; S309-L348 VanDerWaalsContact CB-CD1 3.46Å; C312-L348 HydrophobicContact CB-CD2 4.19Å; I346-L348 HydrophobicContact CG2-CD2 3.5Å; I346-L348 HydrophobicContact CG2-CG 3.79Å; L348-I359 HydrophobicContact CB-CB 4.29Å; L348-I359 PolarHBondContact N-O 2.75Å; L348-I359 PolarHBondContact O-N 3.29Å; L348-L362 HydrophobicContact CD1-CD2 3.55Å; L348-L362 HydrophobicContact CG-CD2 4.44Å
349Q85.5Confident74.5Confident110 Ų11069 Ų6951%0.51435%0.346SS..EExtended strand (participates in β ladder)trans-94.6128.5163.3-65-168.4-40.200108.5
350W88.7Confident76.6Confident7 Ų763 Ų633%0.02732%0.317CS..EExtended strand (participates in β ladder)trans-126.3125.9-176.8178.941.7000110.1L277 F281 L291 D301 L305 H352 Q356 Y357 I359L277-W350 HydrophobicContact CD1-CH2 3.82Å; L277-W350 HydrophobicContact CD1-CZ3 4.01Å; L277-W350 HydrophobicContact CD2-CZ3 4.44Å; F281-W350 AromaticContact CD1-CH2 3.85Å; F281-W350 HydrophobicContact CD1-CH2 3.85Å; F281-W350 AromaticContact CD1-CZ3 3.85Å; F281-W350 HydrophobicContact CD1-CZ3 3.85Å; F281-W350 HydrophobicContact CD2-CZ3 4.34Å; F281-W350 AromaticContact CE1-CH2 3.7Å; F281-W350 HydrophobicContact CE1-CH2 3.7Å; F281-W350 HydrophobicContact CE1-CZ3 4.12Å; F281-W350 HydrophobicContact CG-CH2 4.4Å; F281-W350 AromaticContact CG-CZ3 3.98Å; F281-W350 HydrophobicContact CG-CZ3 3.98Å; F281-W350 HydrophobicContact CZ-CH2 4.09Å; F281-W350 HydrophobicContact CZ-CZ3 4.47Å; L291-W350 HydrophobicContact CD1-CH2 4.12Å; L291-W350 HydrophobicContact CD1-CZ2 4.05Å; L291-W350 HydrophobicContact CD2-CH2 4.03Å; L291-W350 HydrophobicContact CD2-CZ2 4.16Å; L291-W350 HydrophobicContact CG-CH2 4.38Å; D301-W350 HydrophobicContact CB-CZ2 4.34Å; D301-W350 PolarHBondContact O-NE1 2.87Å; L305-W350 HydrophobicContact CB-CG 4.3Å; L305-W350 HydrophobicContact CD1-CB 4.11Å; L305-W350 HydrophobicContact CD1-CG 4.15Å; L305-W350 HydrophobicContact CD2-CD2 3.98Å; L305-W350 HydrophobicContact CD2-CG 4.02Å; L305-W350 HydrophobicContact CG-CG 4.37Å; W350-H352 HydrophobicContact CH2-CB 4.04Å; W350-H352 HydrophobicContact CZ2-CB 3.79Å; W350-H352 HydrophobicContact CZ3-CB 4.49Å; W350-Q356 CarbonylContact O-C 3.59Å; W350-Q356 WeakPolarHBondContact O-CA 3.27Å; W350-Y357 HydrophobicContact CE3-CD2 4.08Å; W350-Y357 HydrophobicContact CE3-CG 4.19Å; W350-Y357 HydrophobicContact CZ3-CD2 4.39Å; W350-Y357 PolarHBondContact N-O 3.3Å; W350-Y357 PolarHBondContact O-N 2.98Å; W350-I359 HydrophobicContact CB-CD1 3.93Å; W350-I359 HydrophobicContact CB-CG1 4.43Å; W350-I359 HydrophobicContact CD2-CD1 4.4Å; W350-I359 HydrophobicContact CE3-CD1 4.19Å; W350-I359 HydrophobicContact CG-CD1 4.33Å
351T84Confident78.5Confident58 Ų5860.4 Ų60.436%0.35631%0.308SS..EExtended strand (participates in β ladder)trans-100.1126.4174.3-55.30000109.1N355T351-N355 CarbonylContact C-O 3.58Å; T351-N355 WeakPolarHBondContact CA-O 3.27Å
352H85.1Confident80.5Confident9 Ų955.8 Ų55.84%0.04228%0.283CS..EExtended strand (participates in β ladder)trans-130.2120.3172.3179.563.9000110.3F281 D298 D301 W350 Q354 N355 Y357F281-H352 AromaticContact CE2-CD2 3.87Å; F281-H352 AromaticContact CZ-CD2 3.47Å; F281-H352 VanDerWaalsContact CZ-CD2 3.47Å; F281-H352 WeakPolarHBondContact CZ-CD2 3.44Å; F281-H352 AromaticContact CZ-NE2 3.86Å; D298-H352 IonicContact OD1-CE1 3.12Å; D298-H352 PolarHBondContact OD1-CE1 3.01Å; D298-H352 VanDerWaalsContact OD1-CE1 3.3Å; D298-H352 IonicContact OD1-NE2 3.3Å; D301-H352 WeakPolarHBondContact OD2-CA 3.29Å; D301-H352 IonicContact OD2-CE1 2.64Å; D301-H352 IonicContact OD2-CG 3.15Å; D301-H352 IonicContact OD2-ND1 2.72Å; D301-H352 PolarHBondContact OD2-ND1 3.29Å; W350-H352 HydrophobicContact CH2-CB 4.04Å; W350-H352 HydrophobicContact CZ2-CB 3.79Å; W350-H352 HydrophobicContact CZ3-CB 4.49Å; H352-Q354 VanDerWaalsContact C-N 3.32Å; H352-Q354 PolarHBondContact O-N 3.41Å; H352-N355 PolarHBondContact N-O 3.42Å; H352-N355 WeakPolarHBondContact O-CB 3.36Å; H352-N355 PolarHBondContact O-N 3.06Å; H352-Y357 HydrophobicContact CB-CD2 4.23Å; H352-Y357 HydrophobicContact CB-CE2 3.9Å
353K80.6Confident82.2Confident99 Ų9952 Ų5243%0.4326%0.262SS..THydrogen-bonded Turntrans44.253.7-178.9-65.9175.3-178.6143.50113S297 D298 D301 N355S297-K353 VanDerWaalsContact OG-CE 3.31Å; S297-K353 WeakPolarHBondContact OG-CE 3.47Å; D298-K353 WeakPolarHBondContact OD1-CE 3.37Å; D298-K353 IonicContact OD1-NZ 2.64Å; D298-K353 PolarHBondContact OD1-NZ 3.42Å; D298-K353 IonicContact OD2-NZ 2.59Å; D301-K353 PolarHBondContact OD2-N 2.81Å; K353-N355 PolarHBondContact O-N 3.36Å; K353-N355 PolarHBondContact O-ND2 2.9Å
354Q78Confident83.8Confident171 Ų17144.8 Ų44.880%0.79923%0.231SC*.THydrogen-bonded Turntrans68.10.9-179.5-52.2175.1-9.800116.3H352H352-Q354 VanDerWaalsContact C-N 3.32Å; H352-Q354 PolarHBondContact O-N 3.41Å
355N84.5Confident84.7Confident56 Ų5641.5 Ų41.530%0.29922%0.219SC..EExtended strand (participates in β ladder)trans-99.4140.3172.5-61.4-66.9000109.9N284 T351 H352 K353 Y357N284-N355 PolarHBondContact ND2-OD1 3.02Å; T351-N355 CarbonylContact C-O 3.58Å; T351-N355 WeakPolarHBondContact CA-O 3.27Å; H352-N355 PolarHBondContact N-O 3.42Å; H352-N355 WeakPolarHBondContact O-CB 3.36Å; H352-N355 PolarHBondContact O-N 3.06Å; K353-N355 PolarHBondContact O-N 3.36Å; K353-N355 PolarHBondContact O-ND2 2.9Å; N355-Y357 HydrophobicContact CB-CE2 3.72Å
356Q86.2Confident85.2Confident28 Ų2839.6 Ų39.613%0.13121%0.209CC..EExtended strand (participates in β ladder)trans-100.3140.3177.7-71.6-173.40.100111S98 W350S98-Q356 PolarHBondContact N-O 3.28Å; S98-Q356 WeakPolarHBondContact OG-CB 3.44Å; S98-Q356 PolarHBondContact OG-O 3.44Å; S98-Q356 PolarHBondContact OG-OE1 3.18Å; W350-Q356 CarbonylContact O-C 3.59Å; W350-Q356 WeakPolarHBondContact O-CA 3.27Å
357Y87.8Confident85.5Confident4 Ų439 Ų392%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-130.7138-179.5-61.4-87.8000109.3V95 T96 P97 F281 C282 W350 H352 N355V95-Y357 HydrophobicContact CG1-CD1 4.17Å; V95-Y357 HydrophobicContact CG1-CG 4.37Å; T96-Y357 CarbonylContact O-C 3.59Å; T96-Y357 WeakPolarHBondContact O-CA 3.32Å; P97-Y357 HydrophobicContact CG-CE1 4.39Å; F281-Y357 HydrophobicContact CD2-CD1 4.35Å; F281-Y357 AromaticContact CD2-CE1 3.74Å; F281-Y357 HydrophobicContact CD2-CE1 3.74Å; F281-Y357 HydrophobicContact CD2-CE2 4.36Å; F281-Y357 AromaticContact CD2-CZ 3.73Å; F281-Y357 HydrophobicContact CE2-CE1 4.28Å; F281-Y357 HydrophobicContact CE2-CE2 4.24Å; F281-Y357 AromaticContact CE2-CZ 3.79Å; C282-Y357 WeakPolarHBondContact O-CE1 3.49Å; W350-Y357 HydrophobicContact CE3-CD2 4.08Å; W350-Y357 HydrophobicContact CE3-CG 4.19Å; W350-Y357 HydrophobicContact CZ3-CD2 4.39Å; W350-Y357 PolarHBondContact N-O 3.3Å; W350-Y357 PolarHBondContact O-N 2.98Å; H352-Y357 HydrophobicContact CB-CD2 4.23Å; H352-Y357 HydrophobicContact CB-CE2 3.9Å; N355-Y357 HydrophobicContact CB-CE2 3.72Å
358D85.8Confident85.8Confident39 Ų3934.6 Ų34.621%0.20918%0.179CC..EExtended strand (participates in β ladder)trans-97120.9170-63.9-41.1000108.4V95 T96 S98V95-D358 WeakPolarHBondContact CA-O 3.43Å; T96-D358 PolarHBondContact N-O 3.41Å; T96-D358 PolarHBondContact O-N 3.18Å; S98-D358 WeakPolarHBondContact CA-OD2 3.37Å; S98-D358 VanDerWaalsContact CB-OD2 3.29Å; S98-D358 WeakPolarHBondContact CB-OD2 3.31Å
359I85.9Confident86.1Confident0 Ų034.3 Ų34.30%018%0.177CC..EExtended strand (participates in β ladder)trans-100.8104.9172.3-57.7172.6000106.5P93 V95 V276 L305 T347 L348 W350P93-I359 HydrophobicContact CB-CG2 4.1Å; V95-I359 HydrophobicContact CG1-CG1 4.18Å; V95-I359 HydrophobicContact CG2-CG1 4.14Å; V276-I359 HydrophobicContact CG1-CD1 4.29Å; V276-I359 HydrophobicContact CG1-CG2 4.27Å; L305-I359 HydrophobicContact CD1-CD1 3.57Å; L305-I359 HydrophobicContact CD2-CD1 3.52Å; L305-I359 HydrophobicContact CG-CD1 4.18Å; T347-I359 CarbonylContact C-O 3Å; T347-I359 WeakPolarHBondContact CA-O 3.48Å; L348-I359 HydrophobicContact CB-CB 4.29Å; L348-I359 PolarHBondContact N-O 2.75Å; L348-I359 PolarHBondContact O-N 3.29Å; W350-I359 HydrophobicContact CB-CD1 3.93Å; W350-I359 HydrophobicContact CB-CG1 4.43Å; W350-I359 HydrophobicContact CD2-CD1 4.4Å; W350-I359 HydrophobicContact CE3-CD1 4.19Å; W350-I359 HydrophobicContact CG-CD1 4.33Å
360S82.3Confident86.4Confident36 Ų3629 Ų2925%0.25215%0.153SC..EExtended strand (participates in β ladder)trans-101.5156.9-178.863.50000111.7A94 L362A94-S360 PolarHBondContact N-O 2.91Å; A94-S360 PolarHBondContact O-N 3.13Å; A94-S360 PolarHBondContact O-OG 3.27Å; S360-L362 PolarHBondContact O-N 3.08Å
361S78.2Confident86.6Confident58 Ų5830.5 Ų30.541%0.40616%0.16SC..EExtended strand (participates in β ladder)trans66.227.3175.8-50.60000115.3H363S361-H363 PolarHBondContact O-N 2.74Å
362L86.4Confident87Confident0 Ų027.7 Ų27.70%014%0.143CC..EExtended strand (participates in β ladder)trans-78.3108.1177.4-177.465.2000110.5P93 V276 I346 L348 S360 T366 V367P93-L362 HydrophobicContact CG-CD1 4.1Å; V276-L362 HydrophobicContact CG2-CD1 3.89Å; I346-L362 HydrophobicContact CB-CB 4.41Å; I346-L362 WeakPolarHBondContact CB-O 3.48Å; I346-L362 PolarHBondContact N-O 2.76Å; I346-L362 WeakPolarHBondContact O-CB 3.03Å; I346-L362 PolarHBondContact O-N 3.34Å; L348-L362 HydrophobicContact CD1-CD2 3.55Å; L348-L362 HydrophobicContact CG-CD2 4.44Å; S360-L362 PolarHBondContact O-N 3.08Å; L362-T366 HydrophobicContact CD1-CG2 3.96Å; L362-V367 HydrophobicContact CD2-CG2 3.73Å; L362-V367 HydrophobicContact CG-CG2 4.16Å
363H86.7Confident87.4Confident22 Ų2227.3 Ų27.310%0.10214%0.141CC..  trans-69.7136.5176.5-166.6-102.2000111.5S361 S365 T366S361-H363 PolarHBondContact O-N 2.74Å; H363-S365 WeakPolarHBondContact ND1-CB 3.43Å; H363-S365 PolarHBondContact ND1-N 3.09Å; H363-S365 PolarHBondContact ND1-OG 2.82Å; H363-S365 PolarHBondContact O-N 2.7Å; H363-S365 VanDerWaalsContact O-N 3.16Å; H363-T366 VanDerWaalsContact O-CB 3.24Å; H363-T366 WeakPolarHBondContact O-CB 3.35Å; H363-T366 PolarHBondContact O-N 3.33Å; H363-T366 PolarHBondContact O-OG1 3Å
364P88.5Confident88Confident0 Ų022.6 Ų22.60%012%0.121CC..Hα-helixtrans-54.8-35.7179.7-28.134.2000113.4L83 T313 L316 Y344 I346 T366 V367 L368L83-P364 HydrophobicContact CD1-CB 4.11Å; L83-P364 HydrophobicContact CD2-CB 4.34Å; T313-P364 HydrophobicContact CG2-CB 4Å; L316-P364 HydrophobicContact CD2-CB 4.3Å; L316-P364 HydrophobicContact CD2-CG 3.33Å; Y344-P364 WeakPolarHBondContact O-CD 3.17Å; Y344-P364 VanDerWaalsContact O-CG 3.29Å; Y344-P364 WeakPolarHBondContact O-CG 3.45Å; I346-P364 HydrophobicContact CD1-CB 4.42Å; I346-P364 HydrophobicContact CD1-CG 4.15Å; I346-P364 HydrophobicContact CG1-CG 4.25Å; P364-T366 PolarHBondContact O-N 3Å; P364-T366 VanDerWaalsContact O-N 3.15Å; P364-V367 PolarHBondContact O-N 2.64Å; P364-V367 VanDerWaalsContact O-N 3.11Å; P364-L368 WeakPolarHBondContact O-CG 3.39Å; P364-L368 PolarHBondContact O-N 3.02Å
365S89Confident88.8Confident4 Ų414.8 Ų14.83%0.0288%0.084CC..Hα-helixtrans-60.2-27.4177.778.80000112.8N78 H363 L369N78-S365 WeakPolarHBondContact OD1-CB 3.24Å; H363-S365 WeakPolarHBondContact ND1-CB 3.43Å; H363-S365 PolarHBondContact ND1-N 3.09Å; H363-S365 PolarHBondContact ND1-OG 2.82Å; H363-S365 PolarHBondContact O-N 2.7Å; H363-S365 VanDerWaalsContact O-N 3.16Å; S365-L369 WeakPolarHBondContact O-CA 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.35Å; S365-L369 PolarHBondContact O-N 3.27Å
366T90.1Very high89.3Confident19 Ų1912.9 Ų12.912%0.1178%0.076CC..Hα-helixtrans-69.2-41.5178.5-590000110.7L275 L362 H363 P364 S370L275-T366 HydrophobicContact CB-CG2 3.65Å; L275-T366 HydrophobicContact CD1-CG2 4.22Å; L362-T366 HydrophobicContact CD1-CG2 3.96Å; H363-T366 VanDerWaalsContact O-CB 3.24Å; H363-T366 WeakPolarHBondContact O-CB 3.35Å; H363-T366 PolarHBondContact O-N 3.33Å; H363-T366 PolarHBondContact O-OG1 3Å; P364-T366 PolarHBondContact O-N 3Å; P364-T366 VanDerWaalsContact O-N 3.15Å; T366-S370 PolarHBondContact O-N 2.8Å
367V90.7Very high89.6Confident0 Ų012.6 Ų12.60%08%0.077CC..Hα-helixtrans-67.1-46175.1-177.60000110.4F272 S309 V310 L362 P364 L369 S370 H371F272-V367 HydrophobicContact CE2-CG2 4.49Å; S309-V367 WeakPolarHBondContact OG-CG1 3.24Å; V310-V367 HydrophobicContact CB-CG1 4.35Å; V310-V367 HydrophobicContact CG2-CG1 3.6Å; L362-V367 HydrophobicContact CD2-CG2 3.73Å; L362-V367 HydrophobicContact CG-CG2 4.16Å; P364-V367 PolarHBondContact O-N 2.64Å; P364-V367 VanDerWaalsContact O-N 3.11Å; V367-L369 PolarHBondContact O-N 3.23Å; V367-S370 PolarHBondContact O-N 3.22Å; V367-S370 PolarHBondContact O-OG 3.36Å; V367-H371 PolarHBondContact O-ND1 2.93Å
368L91.6Very high89.8Confident0 Ų012.4 Ų12.40%08%0.076CC..Hα-helixtrans-62.7-44.1177.3-62.5174.5000111.6V77 F81 L83 T313 L317 P364 S370 H371 I372 I532V77-L368 HydrophobicContact CG1-CB 3.51Å; V77-L368 HydrophobicContact CG1-CD1 3.93Å; V77-L368 HydrophobicContact CG1-CG 4.39Å; F81-L368 HydrophobicContact CB-CD1 3.9Å; F81-L368 HydrophobicContact CD1-CD1 4.29Å; F81-L368 HydrophobicContact CD2-CD1 3.68Å; F81-L368 HydrophobicContact CE2-CD1 4.26Å; F81-L368 HydrophobicContact CG-CD1 3.7Å; F81-L368 HydrophobicContact CZ-CD2 4.44Å; L83-L368 HydrophobicContact CD1-CD1 3.7Å; T313-L368 HydrophobicContact CG2-CD1 4.5Å; T313-L368 HydrophobicContact CG2-CD2 3.84Å; T313-L368 HydrophobicContact CG2-CG 3.98Å; L317-L368 HydrophobicContact CD1-CD1 4.45Å; L317-L368 HydrophobicContact CD1-CD2 4.43Å; P364-L368 WeakPolarHBondContact O-CG 3.39Å; P364-L368 PolarHBondContact O-N 3.02Å; L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 2.74Å; L368-H371 PolarHBondContact O-N 3.49Å; L368-I372 PolarHBondContact O-N 3.34Å; L368-I532 HydrophobicContact CD2-CB 4.4Å; L368-I532 HydrophobicContact CD2-CD1 3.57Å; L368-I532 HydrophobicContact CD2-CG1 3.6Å; L368-I532 HydrophobicContact CD2-CG2 3.94Å
369L92.2Very high90Very high0 Ų012.9 Ų12.90%08%0.082CC..Hα-helixtrans-61.4-39.8178.4178.465.4000111.9V70 I73 R74 L275 S365 V367 H371 I372 L373V70-L369 HydrophobicContact CG1-CD2 4.13Å; I73-L369 HydrophobicContact CB-CD1 3.99Å; I73-L369 HydrophobicContact CG2-CD1 3.49Å; I73-L369 VanDerWaalsContact CG2-CD1 3.49Å; R74-L369 HydrophobicContact CB-CD2 4.09Å; R74-L369 HydrophobicContact CG-CD2 4.45Å; L275-L369 HydrophobicContact CD1-CB 4.47Å; L275-L369 HydrophobicContact CD1-CD2 4.02Å; L275-L369 HydrophobicContact CD1-CG 4.15Å; S365-L369 WeakPolarHBondContact O-CA 3.29Å; S365-L369 WeakPolarHBondContact O-CB 3.35Å; S365-L369 PolarHBondContact O-N 3.27Å; V367-L369 PolarHBondContact O-N 3.23Å; L369-H371 PolarHBondContact O-N 2.89Å; L369-I372 PolarHBondContact O-N 2.94Å; L369-L373 HydrophobicContact CD1-CB 4.07Å; L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CG-CB 4.38Å; L369-L373 WeakPolarHBondContact O-CB 3.49Å; L369-L373 PolarHBondContact O-N 2.75Å
370S92.3Very high90Very high0 Ų014.9 Ų14.90%010%0.096CC..Hα-helixtrans-62.5-30.5179.471.80000113.1F272 T366 V367 L368 P374F272-S370 WeakPolarHBondContact CD2-OG 3.38Å; T366-S370 PolarHBondContact O-N 2.8Å; V367-S370 PolarHBondContact O-N 3.22Å; V367-S370 PolarHBondContact O-OG 3.36Å; L368-S370 VanDerWaalsContact C-N 3.33Å; L368-S370 PolarHBondContact O-N 2.74Å; S370-P374 VanDerWaalsContact O-CD 3.27Å; S370-P374 WeakPolarHBondContact O-CD 3.35Å
371H92.5Very high90.1Very high37 Ų3713.7 Ų13.717%0.1719%0.088CC..Hα-helixtrans-81.1-26.7178.5-69.675.4000113.1V268 V310 V367 L368 L369 F375 I532V268-H371 HydrophobicContact CG1-CB 4.38Å; V310-H371 WeakPolarHBondContact CG2-CE1 3.38Å; V310-H371 WeakPolarHBondContact CG2-NE2 3.45Å; V367-H371 PolarHBondContact O-ND1 2.93Å; L368-H371 PolarHBondContact O-N 3.49Å; L369-H371 PolarHBondContact O-N 2.89Å; H371-F375 VanDerWaalsContact O-CD2 3.25Å; H371-F375 WeakPolarHBondContact O-CD2 3.44Å; H371-F375 WeakPolarHBondContact O-CE2 3.47Å; H371-I532 HydrophobicContact CB-CG2 4.32Å
372I93.7Very high90.5Very high0 Ų011.1 Ų11.10%07%0.07CC..Hα-helixtrans-95.1-42.3-176.4-71.4167.1000111.9I73 V77 F81 L368 L369 P374 F375 A376 I532 W536I73-I372 HydrophobicContact CG2-CG2 4.02Å; V77-I372 HydrophobicContact CG2-CD1 3.67Å; V77-I372 HydrophobicContact CG2-CG2 4.48Å; F81-I372 HydrophobicContact CE2-CD1 4.04Å; L368-I372 PolarHBondContact O-N 3.34Å; L369-I372 PolarHBondContact O-N 2.94Å; I372-P374 VanDerWaalsContact C-CD 3.49Å; I372-F375 PolarHBondContact O-N 2.89Å; I372-A376 HydrophobicContact CG2-CB 3.9Å; I372-A376 WeakPolarHBondContact O-CB 3.25Å; I372-A376 PolarHBondContact O-N 3.47Å; I372-I532 HydrophobicContact CD1-CG2 3.94Å; I372-I532 HydrophobicContact CG1-CG2 4.1Å; I372-W536 HydrophobicContact CB-CD2 4.44Å; I372-W536 HydrophobicContact CD1-CB 3.82Å; I372-W536 HydrophobicContact CD1-CG 3.83Å; I372-W536 HydrophobicContact CG1-CB 4.08Å; I372-W536 HydrophobicContact CG1-CD2 4.12Å; I372-W536 HydrophobicContact CG1-CE3 4.38Å; I372-W536 HydrophobicContact CG1-CG 3.88Å; I372-W536 HydrophobicContact CG2-CD2 3.68Å; I372-W536 HydrophobicContact CG2-CE3 4.22Å; I372-W536 HydrophobicContact CG2-CG 3.91Å; I372-W536 HydrophobicContact CG2-CZ2 4.06Å
373L93.1Very high90.4Very high1 Ų114 Ų141%0.0059%0.089CC..Hα-helixtrans-53.4-45.6-169.9-177.467.5000114V70 I73 V271 L369 F375 A376 C377V70-L373 HydrophobicContact CG2-CD1 4.15Å; V70-L373 HydrophobicContact CG2-CD2 3.74Å; I73-L373 HydrophobicContact CD1-CD1 3.5Å; I73-L373 VanDerWaalsContact CD1-CD1 3.5Å; V271-L373 HydrophobicContact CG1-CB 4.31Å; V271-L373 HydrophobicContact CG1-CD2 3.72Å; V271-L373 HydrophobicContact CG2-CD2 4.35Å; L369-L373 HydrophobicContact CD1-CB 4.07Å; L369-L373 HydrophobicContact CD1-CD1 4.41Å; L369-L373 HydrophobicContact CG-CB 4.38Å; L369-L373 WeakPolarHBondContact O-CB 3.49Å; L369-L373 PolarHBondContact O-N 2.75Å; L373-F375 PolarHBondContact O-N 3.3Å; L373-A376 PolarHBondContact O-N 2.91Å; L373-C377 PolarHBondContact O-N 3.39Å
374P93.1Very high90.2Very high0 Ų017.9 Ų17.90%012%0.118CC..Hα-helixtrans-59.1-31.8178.8-2232000113.6V263 D267 V268 V271 S370 I372 I378V263-P374 HydrophobicContact CG2-CB 3.58Å; D267-P374 HydrophobicContact CB-CB 3.95Å; D267-P374 HydrophobicContact CB-CG 4.34Å; V268-P374 HydrophobicContact CG2-CG 4.05Å; V271-P374 HydrophobicContact CB-CG 4.33Å; V271-P374 HydrophobicContact CG2-CG 3.85Å; S370-P374 VanDerWaalsContact O-CD 3.27Å; S370-P374 WeakPolarHBondContact O-CD 3.35Å; I372-P374 VanDerWaalsContact C-CD 3.49Å; P374-I378 WeakPolarHBondContact O-CG1 3.42Å
375F95.2Very high89.9Confident6 Ų627.4 Ų27.43%0.02616%0.16CC..Hα-helixtrans-92.4-23.3-179.1-55.3-69.9000112.6I238 V263 V268 H371 I372 L373 S463 L464 M533 W536I238-F375 HydrophobicContact CD1-CE1 4.3Å; I238-F375 HydrophobicContact CD1-CZ 4.17Å; I238-F375 HydrophobicContact CG2-CE1 4.18Å; I238-F375 HydrophobicContact CG2-CZ 3.8Å; V263-F375 HydrophobicContact CG1-CD1 3.82Å; V263-F375 HydrophobicContact CG1-CE1 3.94Å; V263-F375 HydrophobicContact CG2-CD1 4.14Å; V263-F375 HydrophobicContact CG2-CE1 3.99Å; V268-F375 HydrophobicContact CG2-CE2 3.61Å; V268-F375 HydrophobicContact CG2-CZ 4.09Å; H371-F375 VanDerWaalsContact O-CD2 3.25Å; H371-F375 WeakPolarHBondContact O-CD2 3.44Å; H371-F375 WeakPolarHBondContact O-CE2 3.47Å; I372-F375 PolarHBondContact O-N 2.89Å; L373-F375 PolarHBondContact O-N 3.3Å; F375-S463 CarbonylContact O-C 3.44Å; F375-S463 VanDerWaalsContact O-CA 3.24Å; F375-S463 WeakPolarHBondContact O-CA 3.48Å; F375-S463 WeakPolarHBondContact O-CB 3.3Å; F375-L464 HydrophobicContact CB-CB 3.96Å; F375-L464 HydrophobicContact CB-CD2 4.27Å; F375-L464 HydrophobicContact CD1-CB 4.5Å; F375-L464 HydrophobicContact CD1-CD2 4.07Å; F375-L464 HydrophobicContact CG-CD2 4.3Å; F375-L464 PolarHBondContact O-N 3.43Å; F375-M533 HydrophobicContact CD2-SD 4.04Å; F375-M533 HydrophobicContact CE2-SD 4.41Å; F375-W536 HydrophobicContact CB-CH2 3.86Å; F375-W536 HydrophobicContact CB-CZ3 3.64Å
376A94.7Very high89.6Confident16 Ų1631.3 Ų31.313%0.13218%0.178CC..Hα-helixtrans-83.4-30.9178.700000113.1I73 I372 L373 S463 W536I73-A376 HydrophobicContact CD1-CB 3.57Å; I73-A376 HydrophobicContact CG1-CB 4.31Å; I73-A376 HydrophobicContact CG2-CB 4.47Å; I372-A376 HydrophobicContact CG2-CB 3.9Å; I372-A376 WeakPolarHBondContact O-CB 3.25Å; I372-A376 PolarHBondContact O-N 3.47Å; L373-A376 PolarHBondContact O-N 2.91Å; A376-S463 WeakPolarHBondContact O-CB 3.29Å; A376-W536 HydrophobicContact CB-CH2 4.01Å; A376-W536 HydrophobicContact CB-CZ2 3.53Å
377C91.9Very high89.3Confident22 Ų2231.4 Ų31.415%0.14918%0.178CC..  trans-138.475.3176.9-710000111I73 L373 S379 S380 C381 E462I73-C377 HydrophobicContact CD1-CB 4.26Å; I73-C377 WeakPolarHBondContact CD1-SG 3.16Å; L373-C377 PolarHBondContact O-N 3.39Å; C377-S379 VanDerWaalsContact C-N 3.32Å; C377-S379 PolarHBondContact O-N 2.81Å; C377-S380 PolarHBondContact O-N 3.09Å; C377-C381 PolarHBondContact O-N 3.19Å; C377-E462 CarbonylContact C-O 3.54Å; C377-E462 WeakPolarHBondContact CA-O 3.47Å
378I92.7Very high89.2Confident1 Ų134.8 Ų34.81%0.00520%0.201CC..Hα-helixtrans-60.4-44-175.9-60.9172.5000110.7L261 V263 P374 S380 C381 V382 V387 E462L261-I378 HydrophobicContact CD1-CD1 3.93Å; L261-I378 HydrophobicContact CD2-CD1 4.41Å; V263-I378 HydrophobicContact CG1-CD1 4.27Å; V263-I378 HydrophobicContact CG1-CG1 4.29Å; P374-I378 WeakPolarHBondContact O-CG1 3.42Å; I378-S380 PolarHBondContact O-N 2.92Å; I378-C381 PolarHBondContact O-N 3.19Å; I378-V382 HydrophobicContact CG2-CB 4.46Å; I378-V382 HydrophobicContact CG2-CG2 4Å; I378-V382 WeakPolarHBondContact O-CB 3.24Å; I378-V382 WeakPolarHBondContact O-CG2 3.03Å; I378-V382 PolarHBondContact O-N 3.26Å; I378-V387 HydrophobicContact CG2-CG2 4.25Å; I378-E462 PolarHBondContact N-O 3.35Å
379S88.5Confident89.3Confident48 Ų4835.3 Ų35.334%0.33620%0.204SC..Hα-helixtrans-59.8-31.2-179.7560000113.9C377 E462C377-S379 VanDerWaalsContact C-N 3.32Å; C377-S379 PolarHBondContact O-N 2.81Å; S379-E462 WeakPolarHBondContact CB-OE2 3.29Å; S379-E462 PolarHBondContact OG-OE2 3.04Å
380S85.8Confident89.4Confident42 Ų4238 Ų3829%0.29422%0.221SC..Hα-helixtrans-82.7-33.4177.9-67.60000112.6L66 C377 I378L66-S380 WeakPolarHBondContact CD1-O 3.3Å; C377-S380 PolarHBondContact O-N 3.09Å; I378-S380 PolarHBondContact O-N 2.92Å
381C85.9Confident89.5Confident11 Ų1139.7 Ų39.77%0.07423%0.227CC..Hα-helixtrans-91.5-19.5-177-67.30000114.3R270 C377 I378R270-C381 PolarHBondContact NH2-O 2.97Å; C377-C381 PolarHBondContact O-N 3.19Å; I378-C381 PolarHBondContact O-N 3.19Å
382V86.9Confident89.5Confident4 Ų438.1 Ų38.12%0.02422%0.22CC..SBendtrans-112.4132.1-178.9-177.90000109.5P262 V263 I378 E386 V387P262-V382 HydrophobicContact CG-CG1 4.27Å; V263-V382 HydrophobicContact CB-CG2 4.49Å; I378-V382 HydrophobicContact CG2-CB 4.46Å; I378-V382 HydrophobicContact CG2-CG2 4Å; I378-V382 WeakPolarHBondContact O-CB 3.24Å; I378-V382 WeakPolarHBondContact O-CG2 3.03Å; I378-V382 PolarHBondContact O-N 3.26Å; V382-E386 HydrophobicContact CG1-CB 3.99Å; V382-V387 HydrophobicContact CG1-CB 4.41Å
383P84.3Confident89.1Confident62 Ų6241.6 Ų41.640%0.40324%0.241SC..  trans-55.5142.5176.3-24.433.8000112.3K385 E386 V387P383-K385 PolarHBondContact O-N 3.34Å; P383-E386 PolarHBondContact O-N 3.03Å; P383-V387 PolarHBondContact O-N 2.99Å; P383-V387 VanDerWaalsContact O-N 3.11Å
384S81.3Confident88.5Confident103 Ų10343.1 Ų43.172%0.7225%0.251SS*.THydrogen-bonded Turntrans-56-26.7-176.256.90000114.9E386 V387S384-E386 VanDerWaalsContact C-N 3.29Å; S384-E386 PolarHBondContact O-N 2.82Å; S384-V387 WeakPolarHBondContact O-CG1 3.42Å
385K81.7Confident87.6Confident200 Ų20045.8 Ų45.887%0.8727%0.27SS*.THydrogen-bonded Turntrans-72.5-20.2175.9-65.7-176.1-179.9179.10113.9P383P383-K385 PolarHBondContact O-N 3.34Å
386E82.9Confident86.5Confident86 Ų8653.9 Ų53.940%0.40231%0.313SS..THydrogen-bonded Turntrans-118.2-3.4-173.3-66.6178-159.800112.9R56 P262 V382 P383 S384 C388R56-E386 IonicContact CZ-OE2 3.53Å; R56-E386 IonicContact NE-OE2 4Å; R56-E386 PolarHBondContact NE-OE2 3.46Å; R56-E386 IonicContact NH2-OE2 2.99Å; R56-E386 PolarHBondContact NH2-OE2 2.78Å; R56-E386 VanDerWaalsContact NH2-OE2 3.09Å; P262-E386 VanDerWaalsContact CB-O 3.29Å; P262-E386 WeakPolarHBondContact CB-O 3.46Å; P262-E386 WeakPolarHBondContact CG-O 3.48Å; V382-E386 HydrophobicContact CG1-CB 3.99Å; P383-E386 PolarHBondContact O-N 3.03Å; S384-E386 VanDerWaalsContact C-N 3.29Å; S384-E386 PolarHBondContact O-N 2.82Å; E386-C388 PolarHBondContact O-N 2.89Å
387V85.2Confident85.4Confident20 Ų2060 Ų6012%0.12134%0.339CS..  trans-68.4-17.7-175.374.90000113.4I378 V382 P383 S384 C389I378-V387 HydrophobicContact CG2-CG2 4.25Å; V382-V387 HydrophobicContact CG1-CB 4.41Å; P383-V387 PolarHBondContact O-N 2.99Å; P383-V387 VanDerWaalsContact O-N 3.11Å; S384-V387 WeakPolarHBondContact O-CG1 3.42Å; V387-C389 PolarHBondContact O-N 3.07Å
388C88.8Confident84.3Confident71 Ų7160.7 Ų60.748%0.4834%0.343SS..  trans-63.6131.8-176.2-67.20000111.1E386 N459E386-C388 PolarHBondContact O-N 2.89Å; C388-N459 CarbonylContact C-O 3.54Å; C388-N459 VanDerWaalsContact CA-O 3.26Å; C388-N459 WeakPolarHBondContact CA-O 3.15Å
389C92.5Very high82.8Confident12 Ų1266.4 Ų66.48%0.08138%0.384CS..  trans-75.5155172.566.90000110.5I259 I260 L261 V387 Y391 P458 N459 F461I259-C389 HydrophobicContact CG2-CB 3.93Å; I260-C389 CarbonylContact O-C 3.37Å; I260-C389 VanDerWaalsContact O-CA 3.26Å; I260-C389 WeakPolarHBondContact O-CA 3.29Å; I260-C389 WeakPolarHBondContact O-CB 3.49Å; L261-C389 HydrophobicContact CD2-CB 4.02Å; V387-C389 PolarHBondContact O-N 3.07Å; C389-Y391 WeakPolarHBondContact SG-CE2 3.26Å; C389-Y391 PolarHBondContact SG-OH 2.98Å; C389-Y391 VanDerWaalsContact SG-OH 3.36Å; C389-P458 PolarHBondContact SG-O 3.47Å; C389-N459 PolarHBondContact N-O 3.2Å; C389-N459 PolarHBondContact SG-O 3.26Å; C389-F461 HydrophobicContact CB-CD2 4.24Å; C389-F461 HydrophobicContact CB-CE2 4.36Å
390T94Very high81.6Confident57 Ų5767.6 Ų67.635%0.3538%0.384SS..EExtended strand (participates in β ladder)trans-111.3130.5177.7-52.40000109.9F148 V193 I259 I260F148-T390 HydrophobicContact CE2-CG2 4.24Å; F148-T390 HydrophobicContact CZ-CG2 3.93Å; V193-T390 HydrophobicContact CG1-CG2 4.15Å; I259-T390 CarbonylContact C-O 3.46Å; I260-T390 PolarHBondContact N-O 3.21Å; I260-T390 PolarHBondContact O-N 2.89Å
391Y94.4Very high80.2Confident34 Ų3468 Ų6813%0.13339%0.385CS..EExtended strand (participates in β ladder)trans-104.4157.9175.8-64.3-82.5000111.3I259 C389 V393 K457 P458 F461 W470I259-Y391 HydrophobicContact CD1-CE1 4.45Å; I259-Y391 HydrophobicContact CG1-CD1 4.25Å; I259-Y391 HydrophobicContact CG1-CE1 3.87Å; I259-Y391 HydrophobicContact CG2-CE1 4.43Å; C389-Y391 WeakPolarHBondContact SG-CE2 3.26Å; C389-Y391 PolarHBondContact SG-OH 2.98Å; C389-Y391 VanDerWaalsContact SG-OH 3.36Å; Y391-V393 PolarHBondContact O-N 2.84Å; Y391-K457 HydrophobicContact CD1-CD 4.08Å; Y391-K457 HydrophobicContact CD2-CB 4.34Å; Y391-K457 HydrophobicContact CD2-CD 4.13Å; Y391-K457 HydrophobicContact CE1-CB 4.44Å; Y391-K457 HydrophobicContact CE1-CD 4.39Å; Y391-K457 HydrophobicContact CE2-CB 3.87Å; Y391-K457 HydrophobicContact CE2-CD 4.44Å; Y391-K457 HydrophobicContact CG-CD 3.93Å; Y391-P458 WeakPolarHBondContact CE2-O 3.34Å; Y391-P458 WeakPolarHBondContact OH-CD 3.49Å; Y391-P458 PolarHBondContact OH-O 2.83Å; Y391-F461 VanDerWaalsContact OH-CE2 3.31Å; Y391-F461 WeakPolarHBondContact OH-CE2 3.29Å; Y391-F461 WeakPolarHBondContact OH-CZ 3.27Å; Y391-W470 HydrophobicContact CD1-CH2 4.19Å; Y391-W470 HydrophobicContact CD1-CZ3 4.41Å; Y391-W470 AromaticContact CE1-CH2 3.52Å; Y391-W470 HydrophobicContact CE1-CH2 3.52Å; Y391-W470 HydrophobicContact CE1-CZ2 4.26Å; Y391-W470 AromaticContact CE1-CZ3 3.66Å; Y391-W470 HydrophobicContact CE1-CZ3 3.66Å
392Q92.7Very high79Confident5 Ų568.3 Ų68.32%0.02339%0.386CS..PPolyproline II helixtrans-65.3125.7165.8-177.256.945.500109.8V193 Y194 T255 R258V193-Q392 VanDerWaalsContact CA-OE1 3.29Å; V193-Q392 HydrophobicContact CG2-CB 4.35Å; Y194-Q392 PolarHBondContact O-NE2 2.99Å; Y194-Q392 PolarHBondContact O-OE1 3.19Å; T255-Q392 HydrophobicContact CG2-CB 4.2Å; T255-Q392 HydrophobicContact CG2-CG 3.64Å; R258-Q392 HydrophobicContact CB-CB 4.42Å
393V86Confident77.7Confident72 Ų7269.1 Ų69.144%0.43639%0.39SS..PPolyproline II helixtrans-76.2125.8173.2-178.40000108.4Y391 Q397Y391-V393 PolarHBondContact O-N 2.84Å; V393-Q397 HydrophobicContact CG1-CB 3.86Å
394P80.9Confident76.3Confident34 Ų3471 Ų7122%0.22140%0.403CS..PPolyproline II helixtrans-58.7150.4173.6-23.133.5000111.9L396 Q397 S398P394-L396 PolarHBondContact O-N 3.44Å; P394-Q397 PolarHBondContact O-N 2.68Å; P394-S398 PolarHBondContact O-N 2.77Å
395S73.8Confident75.3Confident56 Ų5672.6 Ų72.639%0.39240%0.397SS..G310 helixtrans-55.5-37-179-34.40000112.9R196 Q397 S398 W612R196-S395 VanDerWaalsContact NH2-CB 3.31Å; R196-S395 PolarHBondContact NH2-OG 3.26Å; S395-Q397 PolarHBondContact O-N 3.19Å; S395-S398 PolarHBondContact O-N 2.79Å; S395-S398 PolarHBondContact O-OG 3.22Å; S395-W612 PolarHBondContact OG-O 3.42Å
396L71.3Confident74.4Confident176 Ų17664.8 Ų64.892%0.92137%0.365SS*.G310 helixtrans-69.5-19.2179.2-69.4166.5000114P394P394-L396 PolarHBondContact O-N 3.44Å
397Q71.1Confident73.2Confident145 Ų14565.1 Ų65.168%0.67837%0.369SS*.G310 helixtrans-105.21.7-176.6-65.7177.91.200112.6V393 P394 S395V393-Q397 HydrophobicContact CG1-CB 3.86Å; P394-Q397 PolarHBondContact O-N 2.68Å; S395-Q397 PolarHBondContact O-N 3.19Å
398S69.1Low72.2Confident35 Ų3569.2 Ų69.225%0.24539%0.389CS..  trans-72.5136.9178.357.10000111.5P394 S395 E400P394-S398 PolarHBondContact O-N 2.77Å; S395-S398 PolarHBondContact O-N 2.79Å; S395-S398 PolarHBondContact O-OG 3.22Å; S398-E400 VanDerWaalsContact C-N 3.29Å; S398-E400 PolarHBondContact O-N 3.27Å; S398-E400 PolarHBondContact OG-O 2.58Å
399S62Low71.2Confident122 Ų12273.5 Ų73.585%0.85340%0.396SS*.SBendtrans-69.8-19.9-175.255.30000115
400E63.4Low70.2Confident73 Ų7377.8 Ų77.834%0.34142%0.417SS..SBendtrans-110.1128.5175.3-71.4-178.6-15600109N197 R200 S398 D402N197-E400 PolarHBondContact ND2-OE1 3.04Å; R200-E400 IonicContact CZ-OE2 2.7Å; R200-E400 IonicContact NH1-OE2 3.09Å; R200-E400 IonicContact NH2-OE2 3.41Å; R200-E400 PolarHBondContact NH2-OE2 2.91Å; S398-E400 VanDerWaalsContact C-N 3.29Å; S398-E400 PolarHBondContact O-N 3.27Å; S398-E400 PolarHBondContact OG-O 2.58Å; E400-D402 PolarHBondContact O-N 2.88Å
401P56.3Low69.2Low50 Ų5078.3 Ų78.333%0.32542%0.422SS..  trans-63.5130.8170.727-32.9000109.1D403 D406 D407P401-D403 PolarHBondContact O-N 2.69Å; P401-D406 HydrophobicContact CB-CB 4.15Å; P401-D407 WeakPolarHBondContact CG-OD1 3.27Å
402D60.7Low68.3Low17 Ų1781.2 Ų81.29%0.09144%0.44CS..SBendtrans-65.2-21.4179.7-85.9-47.4000112.1R196 E400 S601 W612R196-D402 WeakPolarHBondContact CD-OD1 3.48Å; R196-D402 IonicContact CZ-OD2 2.63Å; R196-D402 IonicContact NE-OD2 3.64Å; R196-D402 IonicContact NH1-OD1 2.75Å; R196-D402 IonicContact NH1-OD2 3.32Å; R196-D402 PolarHBondContact NH1-OD2 3.18Å; E400-D402 PolarHBondContact O-N 2.88Å; D402-S601 VanDerWaalsContact O-CB 3.29Å; D402-S601 WeakPolarHBondContact O-CB 3.44Å; D402-S601 PolarHBondContact O-OG 2.83Å; D402-W612 PolarHBondContact OD1-NE1 3.11Å
403D60.1Low67.5Low21 Ų2182.7 Ų82.711%0.11245%0.45CS..SBendtrans-137132.6177.8-171.1-17.8000110P401 F405 D406P401-D403 PolarHBondContact O-N 2.69Å; D403-F405 PolarHBondContact O-N 3.35Å; D403-F405 VanDerWaalsContact O-N 3.11Å; D403-F405 WeakPolarHBondContact OD1-CB 3.42Å; D403-F405 WeakPolarHBondContact OD1-CD2 3.42Å; D403-F405 PolarHBondContact OD1-N 2.76Å; D403-D406 HydrophobicContact CB-CB 4.36Å; D403-D406 PolarHBondContact N-OD2 3.48Å; D403-D406 WeakPolarHBondContact O-CA 3.19Å; D403-D406 VanDerWaalsContact O-CB 3.24Å; D403-D406 WeakPolarHBondContact O-CB 3.4Å; D403-D406 PolarHBondContact O-N 3.36Å
404P55.1Low67.1Low103 Ų10380.4 Ų80.467%0.66944%0.438SS*.Hα-helixtrans-52.1-26.9167.1-25.332.7000114.2D406P404-D406 VanDerWaalsContact C-N 3.33Å
405F59.3Low67Low136 Ų13687.8 Ų87.860%0.59646%0.461SS*.Hα-helixtrans-74-21.6173-62-70.1000113D403 D407 M408 Y409D403-F405 PolarHBondContact O-N 3.35Å; D403-F405 VanDerWaalsContact O-N 3.11Å; D403-F405 WeakPolarHBondContact OD1-CB 3.42Å; D403-F405 WeakPolarHBondContact OD1-CD2 3.42Å; D403-F405 PolarHBondContact OD1-N 2.76Å; F405-D407 VanDerWaalsContact C-N 3.31Å; F405-M408 HydrophobicContact CD1-CE 4.1Å; F405-M408 HydrophobicContact CE1-CE 4.37Å; F405-M408 PolarHBondContact O-N 2.7Å; F405-Y409 WeakPolarHBondContact O-CB 3.38Å; F405-Y409 PolarHBondContact O-N 3.39Å
406D62.1Low67.1Low36 Ų3688.6 Ų88.619%0.19346%0.459CS..Hα-helixtrans-63.5-39.5172.8-71.1-27.1000109.7P401 D403 P404 M408 Y409 I410 R605P401-D406 HydrophobicContact CB-CB 4.15Å; D403-D406 HydrophobicContact CB-CB 4.36Å; D403-D406 PolarHBondContact N-OD2 3.48Å; D403-D406 WeakPolarHBondContact O-CA 3.19Å; D403-D406 VanDerWaalsContact O-CB 3.24Å; D403-D406 WeakPolarHBondContact O-CB 3.4Å; D403-D406 PolarHBondContact O-N 3.36Å; P404-D406 VanDerWaalsContact C-N 3.33Å; D406-M408 VanDerWaalsContact C-N 3.34Å; D406-M408 PolarHBondContact O-N 3.42Å; D406-Y409 PolarHBondContact O-N 3.18Å; D406-I410 HydrophobicContact CB-CD1 4.32Å; D406-I410 WeakPolarHBondContact O-CB 3.48Å; D406-I410 WeakPolarHBondContact O-CD1 3.47Å; D406-I410 WeakPolarHBondContact O-CG1 3.15Å; D406-I410 PolarHBondContact O-N 2.77Å; D406-R605 IonicContact OD1-NH1 3.25Å; D406-R605 IonicContact OD1-NH2 3.47Å; D406-R605 IonicContact OD2-CZ 3.32Å; D406-R605 IonicContact OD2-NH1 3.16Å; D406-R605 IonicContact OD2-NH2 3.5Å; D406-R605 PolarHBondContact OD2-NH2 2.92Å
407D59Low67.5Low92 Ų9286.6 Ų86.649%0.49244%0.439SS..Hα-helixtrans-62.2-42.6174.3-81.1-21.8000112P401 F405 S411P401-D407 WeakPolarHBondContact CG-OD1 3.27Å; F405-D407 VanDerWaalsContact C-N 3.31Å; D407-S411 WeakPolarHBondContact O-CB 3.41Å; D407-S411 PolarHBondContact O-N 2.87Å; D407-S411 PolarHBondContact O-OG 2.92Å
408M64Low67.8Low107 Ų10788.2 Ų88.253%0.52744%0.439SS..Hα-helixtrans-64.8-43176.6-162.1-168.4-56.300110.5F405 D406 S411 L412F405-M408 HydrophobicContact CD1-CE 4.1Å; F405-M408 HydrophobicContact CE1-CE 4.37Å; F405-M408 PolarHBondContact O-N 2.7Å; D406-M408 VanDerWaalsContact C-N 3.34Å; D406-M408 PolarHBondContact O-N 3.42Å; M408-S411 WeakPolarHBondContact CA-OG 3.34Å; M408-S411 PolarHBondContact O-OG 2.88Å; M408-L412 HydrophobicContact CG-CD1 4.03Å; M408-L412 HydrophobicContact CG-CG 4.48Å; M408-L412 WeakPolarHBondContact O-CB 3.49Å; M408-L412 WeakPolarHBondContact O-CD1 3.45Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 2.87Å; M408-L412 HydrophobicContact SD-CD1 4.49Å
409Y67.6Low68.2Low160 Ų16094.6 Ų94.663%0.62746%0.463SS*.Hα-helixtrans-68.6-44.6178.7-177.5-95.6000112.3F405 D406 S411 L412 T413F405-Y409 WeakPolarHBondContact O-CB 3.38Å; F405-Y409 PolarHBondContact O-N 3.39Å; D406-Y409 PolarHBondContact O-N 3.18Å; Y409-S411 VanDerWaalsContact C-N 3.34Å; Y409-L412 PolarHBondContact O-N 2.89Å; Y409-T413 WeakPolarHBondContact CE1-OG1 3.5Å; Y409-T413 WeakPolarHBondContact O-CB 3.26Å; Y409-T413 PolarHBondContact O-N 2.93Å; Y409-T413 PolarHBondContact O-OG1 3.5Å
410I71Confident69.1Low103 Ų10396.2 Ų96.253%0.52845%0.45SS..Hα-helixtrans-61.8-44.8175.8-69.8164.6000109.3D406 T413 A414D406-I410 HydrophobicContact CB-CD1 4.32Å; D406-I410 WeakPolarHBondContact O-CB 3.48Å; D406-I410 WeakPolarHBondContact O-CD1 3.47Å; D406-I410 WeakPolarHBondContact O-CG1 3.15Å; D406-I410 PolarHBondContact O-N 2.77Å; I410-T413 PolarHBondContact O-N 3.36Å; I410-A414 WeakPolarHBondContact O-CB 3.09Å; I410-A414 PolarHBondContact O-N 3.32Å
411S73.4Confident69.3Low67 Ų6796 Ų9647%0.46947%0.467SS..Hα-helixtrans-67.9-39.7177.762.10000112.7D407 M408 Y409 R415D407-S411 WeakPolarHBondContact O-CB 3.41Å; D407-S411 PolarHBondContact O-N 2.87Å; D407-S411 PolarHBondContact O-OG 2.92Å; M408-S411 WeakPolarHBondContact CA-OG 3.34Å; M408-S411 PolarHBondContact O-OG 2.88Å; Y409-S411 VanDerWaalsContact C-N 3.34Å; S411-R415 WeakPolarHBondContact O-CB 3.22Å; S411-R415 PolarHBondContact O-N 3.2Å
412L74.9Confident69.6Low95 Ų9598 Ų9850%0.49748%0.475SS..Hα-helixtrans-64.3-44.6173.6-75.9169.3000111.4M408 Y409 R415 E416M408-L412 HydrophobicContact CG-CD1 4.03Å; M408-L412 HydrophobicContact CG-CG 4.48Å; M408-L412 WeakPolarHBondContact O-CB 3.49Å; M408-L412 WeakPolarHBondContact O-CD1 3.45Å; M408-L412 WeakPolarHBondContact O-CG 3.4Å; M408-L412 PolarHBondContact O-N 2.87Å; M408-L412 HydrophobicContact SD-CD1 4.49Å; Y409-L412 PolarHBondContact O-N 2.89Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 2.74Å; L412-E416 WeakPolarHBondContact O-CB 3.33Å; L412-E416 PolarHBondContact O-N 2.93Å
413T77.1Confident69.3Low37 Ų37102.7 Ų102.723%0.22751%0.506CS..Hα-helixtrans-69.5-40.7179.6-54.30000111.2Y409 I410 R415 E416 R417Y409-T413 WeakPolarHBondContact CE1-OG1 3.5Å; Y409-T413 WeakPolarHBondContact O-CB 3.26Å; Y409-T413 PolarHBondContact O-N 2.93Å; Y409-T413 PolarHBondContact O-OG1 3.5Å; I410-T413 PolarHBondContact O-N 3.36Å; T413-R415 VanDerWaalsContact C-N 3.33Å; T413-E416 PolarHBondContact O-N 3.05Å; T413-R417 WeakPolarHBondContact O-CB 3.5Å; T413-R417 WeakPolarHBondContact O-CG 3.43Å; T413-R417 PolarHBondContact O-N 2.62Å
414A77Confident68.8Low24 Ų24105.3 Ų105.320%0.19852%0.52CS..Hα-helixtrans-64.5-38.7172.900000111.4I410 R418I410-A414 WeakPolarHBondContact O-CB 3.09Å; I410-A414 PolarHBondContact O-N 3.32Å; A414-R418 WeakPolarHBondContact O-CB 2.87Å; A414-R418 VanDerWaalsContact O-CG 3.29Å; A414-R418 WeakPolarHBondContact O-CG 3.48Å; A414-R418 PolarHBondContact O-N 2.87Å
415R77.8Confident68.3Low188 Ų188109.7 Ų109.771%0.70953%0.532SS*.Hα-helixtrans-65.4-42.3173.9-176178.9-177.51780.9111.5S411 L412 T413 R418 K419S411-R415 WeakPolarHBondContact O-CB 3.22Å; S411-R415 PolarHBondContact O-N 3.2Å; L412-R415 WeakPolarHBondContact O-CB 3.3Å; L412-R415 PolarHBondContact O-N 2.74Å; T413-R415 VanDerWaalsContact C-N 3.33Å; R415-R418 PolarHBondContact O-N 3.11Å; R415-K419 WeakPolarHBondContact O-CB 3.5Å; R415-K419 PolarHBondContact O-N 3.12Å
416E77.8Confident67.3Low74 Ų74111.6 Ų111.635%0.34654%0.542SS..Hα-helixtrans-67.9-40.6177.6-172.161.4-162.900111.4L412 T413 K419 R420L412-E416 WeakPolarHBondContact O-CB 3.33Å; L412-E416 PolarHBondContact O-N 2.93Å; T413-E416 PolarHBondContact O-N 3.05Å; E416-K419 WeakPolarHBondContact O-CB 3.39Å; E416-K419 PolarHBondContact O-N 3.45Å; E416-K419 VanDerWaalsContact O-N 3.16Å; E416-R420 WeakPolarHBondContact O-CG 3.24Å; E416-R420 PolarHBondContact O-N 3.32Å; E416-R420 IonicContact OE1-CZ 3.28Å; E416-R420 IonicContact OE1-NE 3.01Å; E416-R420 PolarHBondContact OE1-NE 3.25Å; E416-R420 IonicContact OE1-NH2 3.19Å; E416-R420 PolarHBondContact OE1-NH2 2.9Å; E416-R420 VanDerWaalsContact OE1-NH2 3.09Å
417R78.7Confident65.7Low134 Ų134118.5 Ų118.551%0.50657%0.573SS.*Hα-helixtrans-62.2-42.5172.7-79.1-178.8172.7156.1-1.9112.7T413 K419 R420 G421 L422T413-R417 WeakPolarHBondContact O-CB 3.5Å; T413-R417 WeakPolarHBondContact O-CG 3.43Å; T413-R417 PolarHBondContact O-N 2.62Å; R417-K419 VanDerWaalsContact C-N 3.29Å; R417-K419 PolarHBondContact O-N 2.7Å; R417-R420 CarbonylContact O-C 3.52Å; R417-R420 PolarHBondContact O-N 3.3Å; R417-R420 VanDerWaalsContact O-N 3.15Å; R417-G421 PolarHBondContact O-N 3.24Å; R417-L422 HydrophobicContact CB-CB 4.32Å; R417-L422 HydrophobicContact CG-CB 4.43Å; R417-L422 HydrophobicContact CG-CD1 4.33Å; R417-L422 PolarHBondContact O-N 3.26Å; R417-L422 VanDerWaalsContact O-N 3.07Å
418R77.8Confident64.2Low179 Ų179119.4 Ų119.468%0.67559%0.587SS**Hα-helixtrans-60.7-39.1172.1-75.3176.9-169162.66111.9A414 R415 R420 G421A414-R418 WeakPolarHBondContact O-CB 2.87Å; A414-R418 VanDerWaalsContact O-CG 3.29Å; A414-R418 WeakPolarHBondContact O-CG 3.48Å; A414-R418 PolarHBondContact O-N 2.87Å; R415-R418 PolarHBondContact O-N 3.11Å; R418-R420 VanDerWaalsContact C-N 3.29Å; R418-R420 PolarHBondContact O-N 3.29Å; R418-G421 PolarHBondContact O-N 2.96Å
419K77.3Confident62.3Low169 Ų169120.2 Ų120.274%0.73560%0.598SS**Hα-helixtrans-66.7-31.5176.1-169.8-175.6172.9-164.70112.1R415 E416 R417R415-K419 WeakPolarHBondContact O-CB 3.5Å; R415-K419 PolarHBondContact O-N 3.12Å; E416-K419 WeakPolarHBondContact O-CB 3.39Å; E416-K419 PolarHBondContact O-N 3.45Å; E416-K419 VanDerWaalsContact O-N 3.16Å; R417-K419 VanDerWaalsContact C-N 3.29Å; R417-K419 PolarHBondContact O-N 2.7Å
420R80.4Confident60.3Low155 Ų155120.8 Ų120.859%0.58561%0.61SS**THydrogen-bonded Turntrans-89.2-0.9176.8-65.5179.2-169.6-162.42.1114.6E416 R417 R418 L422E416-R420 WeakPolarHBondContact O-CG 3.24Å; E416-R420 PolarHBondContact O-N 3.32Å; E416-R420 IonicContact OE1-CZ 3.28Å; E416-R420 IonicContact OE1-NE 3.01Å; E416-R420 PolarHBondContact OE1-NE 3.25Å; E416-R420 IonicContact OE1-NH2 3.19Å; E416-R420 PolarHBondContact OE1-NH2 2.9Å; E416-R420 VanDerWaalsContact OE1-NH2 3.09Å; R417-R420 CarbonylContact O-C 3.52Å; R417-R420 PolarHBondContact O-N 3.3Å; R417-R420 VanDerWaalsContact O-N 3.15Å; R418-R420 VanDerWaalsContact C-N 3.29Å; R418-R420 PolarHBondContact O-N 3.29Å; R420-L422 VanDerWaalsContact C-N 3.3Å; R420-L422 HydrophobicContact CB-CD1 4.28Å; R420-L422 PolarHBondContact O-N 3.31Å
421G68.7Low57.9Low68 Ų68123.4 Ų123.470%0.70162%0.624SS**THydrogen-bonded Turntrans7116.5179.700000115.7R417 R418R417-G421 PolarHBondContact O-N 3.24Å; R418-G421 PolarHBondContact O-N 2.96Å
422L63.1Low55.7Low94 Ų94125.4 Ų125.449%0.49264%0.636SS.*PPolyproline II helixtrans-78.9136.3177.3-75.4157000110.9R417 R420R417-L422 HydrophobicContact CB-CB 4.32Å; R417-L422 HydrophobicContact CG-CB 4.43Å; R417-L422 HydrophobicContact CG-CD1 4.33Å; R417-L422 PolarHBondContact O-N 3.26Å; R417-L422 VanDerWaalsContact O-N 3.07Å; R420-L422 VanDerWaalsContact C-N 3.3Å; R420-L422 HydrophobicContact CB-CD1 4.28Å; R420-L422 PolarHBondContact O-N 3.31Å
423P53.6Low53.3Low115 Ų115127.6 Ų127.675%0.74765%0.648SS**PPolyproline II helixtrans-67.3142.1179.925.3-31.4000112
424N49.6Very low50.8Low76 Ų76132.7 Ų132.741%0.40667%0.674SS.*PPolyproline II helixtrans-80.6130.5169.8-80.3-15.9000109.1H426N424-H426 PolarHBondContact O-N 3.48Å
425E45.1Very low48.4Very low195 Ų195140.7 Ų140.791%0.91171%0.707SS**THydrogen-bonded Turntrans-65.316.9178.7-70.2-156.8143.400115.5
426H37.3Very low45.8Very low176 Ų176140.4 Ų140.482%0.81571%0.714SS**THydrogen-bonded Turntrans-12413-176.4-72.1-23.5000115.9N424N424-H426 PolarHBondContact O-N 3.48Å
427Q29.8Very low43.5Very low180 Ų180145.1 Ų145.184%0.84174%0.74SS**  trans-135.997.7169-71.8-176.5-9.800111.2T429Q427-T429 PolarHBondContact O-N 3.29Å
428S27.3Very low40.9Very low111 Ų111146.8 Ų146.878%0.77675%0.754SS**  trans-59.2122.1161.132.40000110.1
429T23.3Very low38.3Very low125 Ų125144.8 Ų144.877%0.76776%0.762SS**  trans57.7105.6151.336.40000118.5Q427Q427-T429 PolarHBondContact O-N 3.29Å
430I25.6Very low35.8Very low171 Ų171145.7 Ų145.788%0.87777%0.769SS**  -158.3114.7116.1-82.9139.8000107.2
431L21.2Very low33.2Very low159 Ų159146.5 Ų146.583%0.83278%0.783SS**  trans-76.7146.4167.8-75.5155.5000109.1
432P27.3Very low31.1Very low109 Ų109148.8 Ų148.871%0.70878%0.779SS**  -149.9151.790.436.6-17.7000117.7
433N23Very low29.4Very low140 Ų140150.3 Ų150.375%0.74979%0.792SS**  trans58.6123.8142-72.70.1000123.8
434N24.4Very low28.1Very low145 Ų145149.7 Ų149.778%0.77579%0.786SS**  trans52.9115.5137.2-68.5-5000119.2
435E28Very low27Very low191 Ų191154.5 Ų154.589%0.89381%0.806SS**  -175.3154.2105.3-97.2172.8-173.700111.1
436Q22.5Very low25.9Very low182 Ų182153.4 Ų153.485%0.8580%0.801SS**  trans-66.5140.7-172-61.3156.5-38.900112.3
437L29.5Very low25.5Very low173 Ų173150.6 Ų150.691%0.90680%0.796SS**  trans-158.6147.5140.8-134.779.1000113.2
438E23.9Very low25.3Very low170 Ų170145.3 Ų145.379%0.79478%0.783SS**  trans-58.8139-166.4-68.3160.1164.400118
439T23Very low25.3Very low136 Ų136145.5 Ų145.583%0.83478%0.782SS**  trans10.9104.514347.30000119.3
440E26.2Very low25.7Very low188 Ų188145.2 Ų145.288%0.87978%0.779SS**  trans-125.1133.2139.8-82.1-171.616200108.6D442E440-D442 PolarHBondContact O-N 3Å
441I25.3Very low26.1Very low172 Ų172141.9 Ų141.988%0.88277%0.772SS**  trans-72.780.8178.7-58.5166.5000106.7
442D24.6Very low26.7Very low116 Ų116140.3 Ų140.362%0.6276%0.764SS**  trans-84.6127165.7-1551.4000107.3E440 T444E440-D442 PolarHBondContact O-N 3Å; D442-T444 PolarHBondContact O-N 3.39Å
443V27.3Very low27.1Very low127 Ų127140.9 Ų140.977%0.7777%0.768SS**  trans-68.381.5172.2-179.60000105.2E445V443-E445 VanDerWaalsContact C-N 3.29Å; V443-E445 PolarHBondContact O-N 2.95Å
444T25.7Very low28.4Very low101 Ų101139.2 Ų139.262%0.6276%0.758SS**  trans-58.9104.1164.547.10000105D442 Q446D442-T444 PolarHBondContact O-N 3.39Å; T444-Q446 PolarHBondContact O-N 2.81Å
445E27.3Very low29.9Very low177 Ų177135.7 Ų135.783%0.82774%0.743SS**  trans-43.892.8143.5-106.6179164.400105.2V443 V447V443-E445 VanDerWaalsContact C-N 3.29Å; V443-E445 PolarHBondContact O-N 2.95Å; E445-V447 PolarHBondContact O-N 2.82Å
446Q22.5Very low31.9Very low173 Ų173135.5 Ų135.581%0.80874%0.743SS**  trans-64.586.3164.2-76.3-178.7-3.800103.7T444 A448T444-Q446 PolarHBondContact O-N 2.81Å; Q446-A448 PolarHBondContact O-N 3.22Å
447V27.6Very low34.9Very low116 Ų116130.5 Ų130.570%0.70372%0.718SS**  trans-57.697.3153.1-179.90000102.9E445E445-V447 PolarHBondContact O-N 2.82Å
448A26.5Very low37.8Very low70 Ų70124.1 Ų124.158%0.57969%0.687SS**  trans-46131.1173.500000106.5Q446 V450Q446-A448 PolarHBondContact O-N 3.22Å; A448-V450 PolarHBondContact O-N 2.95Å
449P26.5Very low41Very low114 Ų114122.1 Ų122.174%0.7468%0.682SS**  trans-55.6115.2178.523.2-30.8000106S451P449-S451 PolarHBondContact O-N 3.39Å
450V32.8Very low44.4Very low119 Ų119117.7 Ų117.772%0.72166%0.656SS**  trans-64.587.2176.2-179.40000105.3A448 N452A448-V450 PolarHBondContact O-N 2.95Å; V450-N452 PolarHBondContact O-N 3.19Å; V450-N452 VanDerWaalsContact O-N 3.11Å
451S32.9Very low47.6Very low102 Ų102109 Ų10971%0.71362%0.616SS**  trans-79.412.9-17051.60000112.9P449P449-S451 PolarHBondContact O-N 3.39Å
452N33.7Very low50.9Low125 Ų125105.9 Ų105.967%0.66860%0.597SS**SBendtrans-114.6102.3165.2-72-10.8000107.4V450 L454V450-N452 PolarHBondContact O-N 3.19Å; V450-N452 VanDerWaalsContact O-N 3.11Å; N452-L454 PolarHBondContact O-N 3.49Å; N452-L454 VanDerWaalsContact O-N 3.1Å
453P36.3Very low54.2Low122 Ų122101.4 Ų101.479%0.79258%0.575SS**PPolyproline II helixtrans-55123.2166.622-29.8000107.5
454L51Low57.6Low104 Ų10495.4 Ų95.455%0.54554%0.538SS..PPolyproline II helixtrans-46.1132.9172-75158.3000107.9N452 Q456 L478N452-L454 PolarHBondContact O-N 3.49Å; N452-L454 VanDerWaalsContact O-N 3.1Å; L454-Q456 PolarHBondContact O-N 2.95Å; L454-L478 HydrophobicContact CD2-CD2 3.97Å
455P54.7Low61Low72 Ų7290.6 Ų90.647%0.46851%0.509SS..PPolyproline II helixtrans-50129177.6-23.731.1000109.6K457P455-K457 PolarHBondContact O-N 3.42Å
456Q69.3Low64.2Low187 Ų18785.9 Ų85.987%0.87449%0.487SS*.PPolyproline II helixtrans-55127.5176.7-72.2-175.4-8.700108.8L454 P458L454-Q456 PolarHBondContact O-N 2.95Å; Q456-P458 WeakPolarHBondContact O-CD 2.98Å
457K85.6Confident67.8Low76 Ų7677.6 Ų77.633%0.3345%0.448SS..PPolyproline II helixtrans-62.9122.8177.8-67.1-178179.9178.90108.6Y391 P455 W470Y391-K457 HydrophobicContact CD1-CD 4.08Å; Y391-K457 HydrophobicContact CD2-CB 4.34Å; Y391-K457 HydrophobicContact CD2-CD 4.13Å; Y391-K457 HydrophobicContact CE1-CB 4.44Å; Y391-K457 HydrophobicContact CE1-CD 4.39Å; Y391-K457 HydrophobicContact CE2-CB 3.87Å; Y391-K457 HydrophobicContact CE2-CD 4.44Å; Y391-K457 HydrophobicContact CG-CD 3.93Å; P455-K457 PolarHBondContact O-N 3.42Å; K457-W470 HydrophobicContact CG-CH2 4.38Å; K457-W470 HydrophobicContact CG-CZ2 4.14Å
458P90.6Very high71.1Confident39 Ų3972.1 Ų72.125%0.25342%0.415SS..PPolyproline II helixtrans-56.9142.9174.7-25.334.6000111.1C389 Y391 Q456 S460 F461C389-P458 PolarHBondContact SG-O 3.47Å; Y391-P458 WeakPolarHBondContact CE2-O 3.34Å; Y391-P458 WeakPolarHBondContact OH-CD 3.49Å; Y391-P458 PolarHBondContact OH-O 2.83Å; Q456-P458 WeakPolarHBondContact O-CD 2.98Å; P458-S460 VanDerWaalsContact C-N 3.33Å; P458-F461 HydrophobicContact CB-CE1 4.16Å; P458-F461 HydrophobicContact CB-CZ 4.15Å; P458-F461 HydrophobicContact CG-CE1 3.88Å; P458-F461 HydrophobicContact CG-CZ 3.99Å
459N92Very high74.4Confident129 Ų12970.4 Ų70.469%0.6939%0.394SS*.SBendtrans-73.6-30.4175.1-71.5-25.3000111.8C388 C389C388-N459 CarbonylContact C-O 3.54Å; C388-N459 VanDerWaalsContact CA-O 3.26Å; C388-N459 WeakPolarHBondContact CA-O 3.15Å; C389-N459 PolarHBondContact N-O 3.2Å; C389-N459 PolarHBondContact SG-O 3.26Å
460S93.4Very high77.7Confident43 Ų4366.7 Ų66.730%0.30137%0.365SS..  trans-149.6163.2179.354.80000109.6P458P458-S460 VanDerWaalsContact C-N 3.33Å
461F94.8Very high80.7Confident5 Ų561 Ų612%0.02233%0.33CS..  trans-117.7144.3172.3-64.9-84.5000108.6I259 L261 C389 Y391 P458 S463 E466 A467 W470I259-F461 HydrophobicContact CD1-CE2 3.88Å; I259-F461 HydrophobicContact CD1-CZ 3.91Å; I259-F461 HydrophobicContact CG2-CD2 4.48Å; I259-F461 HydrophobicContact CG2-CE2 3.95Å; L261-F461 HydrophobicContact CD2-CB 4.42Å; L261-F461 HydrophobicContact CD2-CD2 3.73Å; L261-F461 HydrophobicContact CD2-CG 4.46Å; C389-F461 HydrophobicContact CB-CD2 4.24Å; C389-F461 HydrophobicContact CB-CE2 4.36Å; Y391-F461 VanDerWaalsContact OH-CE2 3.31Å; Y391-F461 WeakPolarHBondContact OH-CE2 3.29Å; Y391-F461 WeakPolarHBondContact OH-CZ 3.27Å; P458-F461 HydrophobicContact CB-CE1 4.16Å; P458-F461 HydrophobicContact CB-CZ 4.15Å; P458-F461 HydrophobicContact CG-CE1 3.88Å; P458-F461 HydrophobicContact CG-CZ 3.99Å; F461-S463 VanDerWaalsContact C-N 3.3Å; F461-E466 HydrophobicContact CD1-CB 4.42Å; F461-E466 HydrophobicContact CD1-CG 4.01Å; F461-A467 HydrophobicContact CB-CB 4.04Å; F461-A467 HydrophobicContact CD1-CB 3.94Å; F461-A467 HydrophobicContact CD2-CB 3.72Å; F461-A467 HydrophobicContact CE1-CB 4.31Å; F461-A467 HydrophobicContact CE2-CB 4.11Å; F461-A467 HydrophobicContact CG-CB 3.62Å; F461-A467 HydrophobicContact CZ-CB 4.38Å; F461-W470 HydrophobicContact CE1-CB 3.64Å; F461-W470 HydrophobicContact CE1-CD2 4.25Å; F461-W470 AromaticContact CE1-CG 3.78Å; F461-W470 HydrophobicContact CE1-CG 3.78Å; F461-W470 HydrophobicContact CZ-CB 4.09Å; F461-W470 AromaticContact CZ-CD2 3.88Å; F461-W470 HydrophobicContact CZ-CD2 3.88Å; F461-W470 HydrophobicContact CZ-CE3 4.02Å; F461-W470 AromaticContact CZ-CG 3.91Å; F461-W470 HydrophobicContact CZ-CG 3.91Å
462E93.1Very high83.8Confident107 Ų10756.1 Ų56.150%0.530%0.296SS..SBendtrans-71.2-33.5176.4-68.4-62.4162.600110.7C377 I378 S379 E466C377-E462 CarbonylContact C-O 3.54Å; C377-E462 WeakPolarHBondContact CA-O 3.47Å; I378-E462 PolarHBondContact N-O 3.35Å; S379-E462 WeakPolarHBondContact CB-OE2 3.29Å; S379-E462 PolarHBondContact OG-OE2 3.04Å; E462-E466 PolarHBondContact N-OE2 3.21Å
463S95.6Very high86.6Confident22 Ų2252.6 Ų52.615%0.15428%0.278CS..SBendtrans-144.7159.9-176.973.40000113.3F375 A376 F461 E466 A467F375-S463 CarbonylContact O-C 3.44Å; F375-S463 VanDerWaalsContact O-CA 3.24Å; F375-S463 WeakPolarHBondContact O-CA 3.48Å; F375-S463 WeakPolarHBondContact O-CB 3.3Å; A376-S463 WeakPolarHBondContact O-CB 3.29Å; F461-S463 VanDerWaalsContact C-N 3.3Å; S463-E466 WeakPolarHBondContact O-CB 3.09Å; S463-E466 PolarHBondContact O-N 2.81Å; S463-E466 PolarHBondContact OG-N 3.17Å; S463-A467 PolarHBondContact O-N 3.48Å
464L96.9Very high89.3Confident0 Ų047.3 Ų47.30%024%0.242CC..Hα-helixtrans-60.8-46173.4173.364.3000112.7I236 I238 T243 V245 L261 F375 E466 A467 V468 M533I236-L464 HydrophobicContact CG2-CD1 4.27Å; I236-L464 HydrophobicContact CG2-CD2 4.42Å; I238-L464 HydrophobicContact CD1-CD2 4.43Å; T243-L464 HydrophobicContact CG2-CD1 3.86Å; V245-L464 HydrophobicContact CG2-CD1 4.07Å; L261-L464 HydrophobicContact CD1-CB 4.42Å; L261-L464 HydrophobicContact CD1-CD1 3.64Å; F375-L464 HydrophobicContact CB-CB 3.96Å; F375-L464 HydrophobicContact CB-CD2 4.27Å; F375-L464 HydrophobicContact CD1-CB 4.5Å; F375-L464 HydrophobicContact CD1-CD2 4.07Å; F375-L464 HydrophobicContact CG-CD2 4.3Å; F375-L464 PolarHBondContact O-N 3.43Å; L464-E466 PolarHBondContact O-N 3.2Å; L464-A467 PolarHBondContact O-N 3.28Å; L464-A467 VanDerWaalsContact O-N 3.14Å; L464-V468 HydrophobicContact CD1-CG2 3.92Å; L464-V468 HydrophobicContact CG-CG2 4.27Å; L464-V468 VanDerWaalsContact O-CG2 3.31Å; L464-V468 WeakPolarHBondContact O-CG2 3.34Å; L464-V468 PolarHBondContact O-N 2.82Å; L464-M533 HydrophobicContact CD2-CE 3.99Å
465P97Very high91.4Very high0 Ų042.4 Ų42.40%022%0.216CC..Hα-helixtrans-54.1-38.2175-25.431000113.7V468 W469 W536 L537 Q540 L541 I544P465-V468 PolarHBondContact O-N 2.72Å; P465-W469 WeakPolarHBondContact O-CB 3Å; P465-W469 PolarHBondContact O-N 3.32Å; P465-W536 HydrophobicContact CG-CH2 3.78Å; P465-W536 HydrophobicContact CG-CZ2 3.98Å; P465-W536 HydrophobicContact CG-CZ3 4.46Å; P465-L537 HydrophobicContact CB-CD1 4.13Å; P465-L537 HydrophobicContact CG-CD1 3.73Å; P465-Q540 HydrophobicContact CB-CB 3.91Å; P465-Q540 HydrophobicContact CG-CB 3.61Å; P465-Q540 HydrophobicContact CG-CG 4.12Å; P465-L541 HydrophobicContact CB-CD2 4.16Å; P465-I544 HydrophobicContact CB-CD1 3.56Å
466E96.1Very high93.2Very high78 Ų7839 Ų3936%0.36419%0.194SC..Hα-helixtrans-65.1-45.2176.8-170.8-170.7-174.100111.9F461 E462 S463 L464 V468 W469 W470F461-E466 HydrophobicContact CD1-CB 4.42Å; F461-E466 HydrophobicContact CD1-CG 4.01Å; E462-E466 PolarHBondContact N-OE2 3.21Å; S463-E466 WeakPolarHBondContact O-CB 3.09Å; S463-E466 PolarHBondContact O-N 2.81Å; S463-E466 PolarHBondContact OG-N 3.17Å; L464-E466 PolarHBondContact O-N 3.2Å; E466-V468 VanDerWaalsContact C-N 3.34Å; E466-V468 PolarHBondContact O-N 2.93Å; E466-W469 PolarHBondContact O-N 3.18Å; E466-W470 WeakPolarHBondContact O-CB 3.11Å; E466-W470 PolarHBondContact O-N 2.95Å
467A97Very high94.3Very high0 Ų032.7 Ų32.70%017%0.167CC..Hα-helixtrans-62.7-40.9176.700000112.3I259 L261 F461 S463 L464 W470 S471I259-A467 HydrophobicContact CD1-CB 4.36Å; L261-A467 HydrophobicContact CD1-CB 3.86Å; L261-A467 HydrophobicContact CD2-CB 4.03Å; L261-A467 HydrophobicContact CG-CB 4.39Å; F461-A467 HydrophobicContact CB-CB 4.04Å; F461-A467 HydrophobicContact CD1-CB 3.94Å; F461-A467 HydrophobicContact CD2-CB 3.72Å; F461-A467 HydrophobicContact CE1-CB 4.31Å; F461-A467 HydrophobicContact CE2-CB 4.11Å; F461-A467 HydrophobicContact CG-CB 3.62Å; F461-A467 HydrophobicContact CZ-CB 4.38Å; S463-A467 PolarHBondContact O-N 3.48Å; L464-A467 PolarHBondContact O-N 3.28Å; L464-A467 VanDerWaalsContact O-N 3.14Å; A467-W470 PolarHBondContact O-N 3.35Å; A467-S471 WeakPolarHBondContact O-CB 3.49Å; A467-S471 PolarHBondContact O-N 3.4Å
468V97.5Very high94.5Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-63.7-48.8176.31730000110.6I236 V245 L464 P465 E466 W470 S471 I472 L541I236-V468 HydrophobicContact CD1-CB 4.49Å; I236-V468 HydrophobicContact CD1-CG1 4.18Å; I236-V468 HydrophobicContact CD1-CG2 3.45Å; I236-V468 VanDerWaalsContact CD1-CG2 3.45Å; I236-V468 HydrophobicContact CG1-CG2 3.98Å; V245-V468 HydrophobicContact CG1-CG2 4.22Å; V245-V468 HydrophobicContact CG2-CG2 4.03Å; L464-V468 HydrophobicContact CD1-CG2 3.92Å; L464-V468 HydrophobicContact CG-CG2 4.27Å; L464-V468 VanDerWaalsContact O-CG2 3.31Å; L464-V468 WeakPolarHBondContact O-CG2 3.34Å; L464-V468 PolarHBondContact O-N 2.82Å; P465-V468 PolarHBondContact O-N 2.72Å; E466-V468 VanDerWaalsContact C-N 3.34Å; E466-V468 PolarHBondContact O-N 2.93Å; V468-W470 VanDerWaalsContact C-N 3.34Å; V468-W470 PolarHBondContact O-N 2.89Å; V468-S471 PolarHBondContact O-N 3.43Å; V468-I472 HydrophobicContact CG1-CD1 3.95Å; V468-I472 WeakPolarHBondContact O-CG1 3.44Å; V468-I472 PolarHBondContact O-N 3.31Å; V468-L541 HydrophobicContact CB-CD2 4.16Å; V468-L541 HydrophobicContact CG1-CD1 4.08Å; V468-L541 HydrophobicContact CG1-CD2 3.94Å
469W95.8Very high94.4Very high35 Ų3529.5 Ų29.513%0.13315%0.152CC..Hα-helixtrans-58.4-46176.8177.1-99.3000112P465 E466 S471 I472 N473 L515 I544 A545 K548P465-W469 WeakPolarHBondContact O-CB 3Å; P465-W469 PolarHBondContact O-N 3.32Å; E466-W469 PolarHBondContact O-N 3.18Å; W469-S471 PolarHBondContact O-N 3.22Å; W469-I472 PolarHBondContact O-N 3.34Å; W469-N473 VanDerWaalsContact O-CB 3.31Å; W469-N473 WeakPolarHBondContact O-CB 3.21Å; W469-N473 PolarHBondContact O-N 3.37Å; W469-L515 HydrophobicContact CE3-CD2 4.33Å; W469-L515 HydrophobicContact CZ3-CD1 3.95Å; W469-L515 HydrophobicContact CZ3-CD2 4.28Å; W469-I544 HydrophobicContact CB-CG2 3.95Å; W469-I544 HydrophobicContact CD2-CG2 3.6Å; W469-I544 HydrophobicContact CE3-CG2 3.97Å; W469-I544 HydrophobicContact CG-CG2 3.55Å; W469-A545 HydrophobicContact CH2-CB 4.28Å; W469-A545 HydrophobicContact CZ3-CB 3.73Å; W469-K548 HydrophobicContact CH2-CB 4.2Å; W469-K548 HydrophobicContact CZ2-CB 3.53Å; W469-K548 HydrophobicContact CZ2-CG 3.83Å
470W95.6Very high94.1Very high35 Ų3523.6 Ų23.613%0.13312%0.121CC..Hα-helixtrans-59.8-45.5177.1179.694.3000111.6I259 Y391 K457 F461 E466 A467 V468 N473 Q474I259-W470 HydrophobicContact CD1-CE3 3.4Å; I259-W470 HydrophobicContact CD1-CZ3 3.63Å; I259-W470 HydrophobicContact CG1-CE3 4.16Å; I259-W470 HydrophobicContact CG1-CZ3 3.85Å; Y391-W470 HydrophobicContact CD1-CH2 4.19Å; Y391-W470 HydrophobicContact CD1-CZ3 4.41Å; Y391-W470 AromaticContact CE1-CH2 3.52Å; Y391-W470 HydrophobicContact CE1-CH2 3.52Å; Y391-W470 HydrophobicContact CE1-CZ2 4.26Å; Y391-W470 AromaticContact CE1-CZ3 3.66Å; Y391-W470 HydrophobicContact CE1-CZ3 3.66Å; K457-W470 HydrophobicContact CG-CH2 4.38Å; K457-W470 HydrophobicContact CG-CZ2 4.14Å; F461-W470 HydrophobicContact CE1-CB 3.64Å; F461-W470 HydrophobicContact CE1-CD2 4.25Å; F461-W470 AromaticContact CE1-CG 3.78Å; F461-W470 HydrophobicContact CE1-CG 3.78Å; F461-W470 HydrophobicContact CZ-CB 4.09Å; F461-W470 AromaticContact CZ-CD2 3.88Å; F461-W470 HydrophobicContact CZ-CD2 3.88Å; F461-W470 HydrophobicContact CZ-CE3 4.02Å; F461-W470 AromaticContact CZ-CG 3.91Å; F461-W470 HydrophobicContact CZ-CG 3.91Å; E466-W470 WeakPolarHBondContact O-CB 3.11Å; E466-W470 PolarHBondContact O-N 2.95Å; A467-W470 PolarHBondContact O-N 3.35Å; V468-W470 VanDerWaalsContact C-N 3.34Å; V468-W470 PolarHBondContact O-N 2.89Å; W470-N473 PolarHBondContact O-N 2.81Å; W470-Q474 HydrophobicContact CH2-CG 4.3Å; W470-Q474 HydrophobicContact CZ2-CG 4.43Å; W470-Q474 VanDerWaalsContact O-CB 3.3Å; W470-Q474 WeakPolarHBondContact O-CB 3.34Å; W470-Q474 PolarHBondContact O-N 3.24Å
471S96.7Very high93.7Very high0 Ų025.9 Ų25.90%014%0.137CC..Hα-helixtrans-60.2-48.9-180-173.30000111.6C247 T257 A467 V468 W469 Q474 C475C247-S471 PolarHBondContact SG-OG 3.2Å; C247-S471 VanDerWaalsContact SG-OG 3.41Å; T257-S471 PolarHBondContact O-OG 3.04Å; A467-S471 WeakPolarHBondContact O-CB 3.49Å; A467-S471 PolarHBondContact O-N 3.4Å; V468-S471 PolarHBondContact O-N 3.43Å; W469-S471 PolarHBondContact O-N 3.22Å; S471-Q474 PolarHBondContact O-N 3.04Å; S471-C475 WeakPolarHBondContact O-CB 3.33Å; S471-C475 PolarHBondContact O-N 3.23Å
472I96.2Very high93Very high0 Ų032.9 Ų32.90%017%0.17CC..Hα-helixtrans-61.7-46.6178.3-69.7175.3000110.9C234 V468 W469 C475 A476 R511 L514 L515C234-I472 HydrophobicContact CB-CD1 3.98Å; C234-I472 HydrophobicContact CB-CG1 4Å; V468-I472 HydrophobicContact CG1-CD1 3.95Å; V468-I472 WeakPolarHBondContact O-CG1 3.44Å; V468-I472 PolarHBondContact O-N 3.31Å; W469-I472 PolarHBondContact O-N 3.34Å; I472-C475 WeakPolarHBondContact O-CB 3.29Å; I472-C475 PolarHBondContact O-N 2.89Å; I472-A476 WeakPolarHBondContact O-CB 3.36Å; I472-A476 PolarHBondContact O-N 3.35Å; I472-R511 HydrophobicContact CG2-CG 4.03Å; I472-L514 HydrophobicContact CD1-CB 4.3Å; I472-L514 HydrophobicContact CG1-CB 4.11Å; I472-L514 HydrophobicContact CG2-CB 3.87Å; I472-L514 HydrophobicContact CG2-CD1 4.09Å; I472-L515 HydrophobicContact CD1-CD2 3.76Å; I472-L515 HydrophobicContact CD1-CG 4.25Å; I472-L515 HydrophobicContact CG2-CG 4.36Å
473N93.9Very high91.9Very high51 Ų5131 Ų3127%0.27317%0.166SC..Hα-helixtrans-66-40.6-178.6-170.354.3000111.9W469 W470 C475 A476 N477 R511W469-N473 VanDerWaalsContact O-CB 3.31Å; W469-N473 WeakPolarHBondContact O-CB 3.21Å; W469-N473 PolarHBondContact O-N 3.37Å; W470-N473 PolarHBondContact O-N 2.81Å; N473-C475 VanDerWaalsContact C-N 3.35Å; N473-A476 PolarHBondContact O-N 3.46Å; N473-N477 PolarHBondContact ND2-ND2 3.06Å; N473-N477 WeakPolarHBondContact O-CB 3.33Å; N473-N477 PolarHBondContact O-N 2.91Å; N473-N477 PolarHBondContact O-ND2 3.22Å; N473-R511 PolarHBondContact OD1-NE 3.28Å; N473-R511 PolarHBondContact OD1-NH2 3.38Å
474Q93.2Very high89.9Confident11 Ų1132.2 Ų32.25%0.05118%0.181CC..Hα-helixtrans-61.9-44.3174.7-174.462.912.500110.7T257 W470 S471 N477 L478T257-Q474 HydrophobicContact CG2-CB 4.42Å; T257-Q474 HydrophobicContact CG2-CG 4.34Å; W470-Q474 HydrophobicContact CH2-CG 4.3Å; W470-Q474 HydrophobicContact CZ2-CG 4.43Å; W470-Q474 VanDerWaalsContact O-CB 3.3Å; W470-Q474 WeakPolarHBondContact O-CB 3.34Å; W470-Q474 PolarHBondContact O-N 3.24Å; S471-Q474 PolarHBondContact O-N 3.04Å; Q474-N477 PolarHBondContact O-N 3.41Å; Q474-L478 HydrophobicContact CG-CD1 3.93Å; Q474-L478 HydrophobicContact CG-CG 4.47Å; Q474-L478 WeakPolarHBondContact O-CB 3.21Å; Q474-L478 WeakPolarHBondContact O-CD1 3.43Å; Q474-L478 WeakPolarHBondContact O-CG 3.43Å; Q474-L478 PolarHBondContact O-N 3.31Å
475C94.6Very high87.5Confident0 Ų038.3 Ų38.30%022%0.221CC..Hα-helixtrans-58.2-52.3176.3-159.50000111.8C247 T257 S471 I472 N473 N477 L478 V479 L514C247-C475 HydrophobicContact CB-CB 3.78Å; C247-C475 WeakPolarHBondContact CB-SG 3.23Å; T257-C475 HydrophobicContact CG2-CB 3.59Å; S471-C475 WeakPolarHBondContact O-CB 3.33Å; S471-C475 PolarHBondContact O-N 3.23Å; I472-C475 WeakPolarHBondContact O-CB 3.29Å; I472-C475 PolarHBondContact O-N 2.89Å; N473-C475 VanDerWaalsContact C-N 3.35Å; C475-N477 VanDerWaalsContact C-N 3.3Å; C475-N477 PolarHBondContact O-N 3.09Å; C475-L478 PolarHBondContact O-N 2.94Å; C475-V479 WeakPolarHBondContact O-CG2 3.46Å; C475-V479 PolarHBondContact O-N 2.98Å; C475-V479 VanDerWaalsContact O-N 3.09Å; C475-L514 HydrophobicContact CB-CD1 3.92Å
476A92.9Very high84.6Confident0 Ų046.9 Ų46.90%026%0.261CS..Hα-helixtrans-58.6-39.7-179.600000112.8I472 N473 G480 S507 R511I472-A476 WeakPolarHBondContact O-CB 3.36Å; I472-A476 PolarHBondContact O-N 3.35Å; N473-A476 PolarHBondContact O-N 3.46Å; A476-G480 PolarHBondContact O-N 3.3Å; A476-S507 WeakPolarHBondContact CB-O 3.18Å; A476-S507 WeakPolarHBondContact O-CA 3.28Å; A476-S507 VanDerWaalsContact O-CB 3.29Å; A476-S507 WeakPolarHBondContact O-CB 3.27Å; A476-S507 PolarHBondContact O-OG 3.25Å; A476-R511 HydrophobicContact CB-CB 3.88Å
477N91.6Very high81.6Confident56 Ų5649.4 Ų49.430%0.29928%0.282SS..Hα-helixtrans-74.4-37.9-179.5-68-18.6000112.3N473 Q474 C475 S481 S507 R511N473-N477 PolarHBondContact ND2-ND2 3.06Å; N473-N477 WeakPolarHBondContact O-CB 3.33Å; N473-N477 PolarHBondContact O-N 2.91Å; N473-N477 PolarHBondContact O-ND2 3.22Å; Q474-N477 PolarHBondContact O-N 3.41Å; C475-N477 VanDerWaalsContact C-N 3.3Å; C475-N477 PolarHBondContact O-N 3.09Å; N477-S481 WeakPolarHBondContact O-CB 3.32Å; N477-S481 PolarHBondContact O-N 3.19Å; N477-S481 PolarHBondContact O-OG 3.46Å; N477-S507 PolarHBondContact OD1-OG 2.89Å; N477-R511 PolarHBondContact OD1-NH2 2.89Å
478L90.1Very high78.4Confident31 Ų3154.6 Ų54.616%0.16231%0.313CS..Hα-helixtrans-63.2-47.7177.3-73.6168.7000111.4E256 T257 L454 Q474 C475 S481 Q482E256-L478 HydrophobicContact CB-CD1 3.63Å; E256-L478 HydrophobicContact CG-CD1 4.31Å; E256-L478 WeakPolarHBondContact OE2-CD1 3.48Å; E256-L478 VanDerWaalsContact OE2-CD2 3.3Å; E256-L478 WeakPolarHBondContact OE2-CD2 3.31Å; T257-L478 HydrophobicContact CG2-CD1 4.28Å; L454-L478 HydrophobicContact CD2-CD2 3.97Å; Q474-L478 HydrophobicContact CG-CD1 3.93Å; Q474-L478 HydrophobicContact CG-CG 4.47Å; Q474-L478 WeakPolarHBondContact O-CB 3.21Å; Q474-L478 WeakPolarHBondContact O-CD1 3.43Å; Q474-L478 WeakPolarHBondContact O-CG 3.43Å; Q474-L478 PolarHBondContact O-N 3.31Å; C475-L478 PolarHBondContact O-N 2.94Å; L478-S481 PolarHBondContact O-N 2.8Å; L478-Q482 PolarHBondContact O-N 3.35Å
479V88.4Confident75.3Confident17 Ų1760.5 Ų60.510%0.10335%0.349CS..Hα-helixtrans-68.2-42.6-179.81770000110.8E249 C475 S481 Q482 L510E249-V479 WeakPolarHBondContact OE2-CG2 3.39Å; C475-V479 WeakPolarHBondContact O-CG2 3.46Å; C475-V479 PolarHBondContact O-N 2.98Å; C475-V479 VanDerWaalsContact O-N 3.09Å; V479-S481 PolarHBondContact O-N 3.43Å; V479-Q482 PolarHBondContact O-N 2.86Å; V479-Q482 VanDerWaalsContact O-N 3.13Å; V479-L510 HydrophobicContact CB-CD2 3.66Å; V479-L510 HydrophobicContact CG1-CD2 3.94Å; V479-L510 HydrophobicContact CG2-CD2 3.6Å
480G86.5Confident72.1Confident4 Ų467.8 Ų67.84%0.04139%0.385CS..Hα-helixtrans-60.4-28.1174.500000113.9A476 S503A476-G480 PolarHBondContact O-N 3.3Å; G480-S503 VanDerWaalsContact O-CB 3.3Å; G480-S503 WeakPolarHBondContact O-CB 3.36Å
481S84.8Confident69.1Low91 Ų9170.3 Ų70.364%0.63641%0.413SS*.Hα-helixtrans-80.4-19.5178.1-580000113.8N477 L478 V479 V483N477-S481 WeakPolarHBondContact O-CB 3.32Å; N477-S481 PolarHBondContact O-N 3.19Å; N477-S481 PolarHBondContact O-OG 3.46Å; L478-S481 PolarHBondContact O-N 2.8Å; V479-S481 PolarHBondContact O-N 3.43Å; S481-V483 VanDerWaalsContact C-N 3.34Å
482Q79.5Confident66Low152 Ų15276.4 Ų76.471%0.7146%0.456SS*.Hα-helixtrans-78.2-20.8177.1-68.7-179.89.300112.6L478 V479 G484L478-Q482 PolarHBondContact O-N 3.35Å; V479-Q482 PolarHBondContact O-N 2.86Å; V479-Q482 VanDerWaalsContact O-N 3.13Å; Q482-G484 VanDerWaalsContact C-N 3.3Å; Q482-G484 PolarHBondContact O-N 3.17Å
483V70.9Confident63.2Low69 Ų6980 Ų8042%0.41849%0.492SS..  trans-80.480.4173.2-171.80000108.8S481 V506S481-V483 VanDerWaalsContact C-N 3.34Å; V483-V506 HydrophobicContact CG2-CG1 4.24Å; V483-V506 HydrophobicContact CG2-CG2 4.39Å
484G53.4Low60.2Low47 Ų4786.5 Ų86.549%0.48553%0.526SS..  trans-65.1153.4170.700000111.4Q482 E486Q482-G484 VanDerWaalsContact C-N 3.3Å; Q482-G484 PolarHBondContact O-N 3.17Å; G484-E486 PolarHBondContact O-N 2.64Å
485P45.7Very low57.4Low128 Ų12889.9 Ų89.983%0.83156%0.556SS**  trans-65110.2172.427-30.8000108.4V487P485-V487 PolarHBondContact O-N 3.05Å
486E36Very low54.6Low179 Ų17996.3 Ų96.384%0.83660%0.597SS**  trans-53.4118.1166.3-78.6-173.7155.300108.1G484 T488G484-E486 PolarHBondContact O-N 2.64Å; E486-T488 VanDerWaalsContact C-N 3.28Å; E486-T488 PolarHBondContact O-N 2.93Å; E486-T488 PolarHBondContact O-OG1 2.82Å
487V33.3Very low51.8Low132 Ų13299.6 Ų99.680%0.863%0.631SS**  trans-60.895.2171.51770000106.8P485 V489P485-V487 PolarHBondContact O-N 3.05Å; V487-V489 VanDerWaalsContact C-N 3.35Å; V487-V489 PolarHBondContact O-N 3.4Å
488T30Very low49Very low109 Ų109106.1 Ų106.167%0.66966%0.657SS**  trans-6999.5172.1-41.50000106.5E486 Q490E486-T488 VanDerWaalsContact C-N 3.28Å; E486-T488 PolarHBondContact O-N 2.93Å; E486-T488 PolarHBondContact O-OG1 2.82Å; T488-Q490 VanDerWaalsContact C-N 3.35Å; T488-Q490 PolarHBondContact O-N 3.31Å
489V33.2Very low46.5Very low123 Ų123110.4 Ų110.475%0.74569%0.687SS**  trans-60.2102.9166.6179.70000106.1V487 A491V487-V489 VanDerWaalsContact C-N 3.35Å; V487-V489 PolarHBondContact O-N 3.4Å; V489-A491 VanDerWaalsContact C-N 3.25Å; V489-A491 PolarHBondContact O-N 3.09Å
490Q28.4Very low44.5Very low189 Ų189114.6 Ų114.688%0.88372%0.717SS**  trans-65.587.2175.3-81.9-177.5-16.900109.2T488T488-Q490 VanDerWaalsContact C-N 3.35Å; T488-Q490 PolarHBondContact O-N 3.31Å
491A32.4Very low42.8Very low87 Ų87121.7 Ų121.772%0.71975%0.749SS**  trans-86.1117.2153.700000107.7V489V489-A491 VanDerWaalsContact C-N 3.25Å; V489-A491 PolarHBondContact O-N 3.09Å
492S31.9Very low41.7Very low129 Ų129120.6 Ų120.690%0.90274%0.741SS**SBendtrans-11.7122.9166-47.40000116.8
493G36.4Very low41.3Very low74 Ų74116.1 Ų116.176%0.76373%0.726SS**  trans156.598.4163.100000115.5A495G493-A495 PolarHBondContact O-N 3.42Å; G493-A495 VanDerWaalsContact O-N 3.15Å
494L31.2Very low41.7Very low188 Ų188118 Ų11898%0.98474%0.735SS**  trans-23.399.9164.1-72.9139.7000116.9
495A35Very low43.2Very low83 Ų83117.8 Ų117.869%0.68673%0.725SS**SBendtrans-167.7141.4138.100000108G493 G497G493-A495 PolarHBondContact O-N 3.42Å; G493-A495 VanDerWaalsContact O-N 3.15Å; A495-G497 PolarHBondContact O-N 2.9Å
496P36Very low45.2Very low134 Ų134113 Ų11387%0.8769%0.694SS**  trans-64.6111177.125.7-29.1000108.4K498P496-K498 PolarHBondContact O-N 2.99Å
497G33.3Very low47.8Very low69 Ų69104.9 Ų104.971%0.71166%0.657SS**PPolyproline II helixtrans-53134.6173.800000109.7A495A495-G497 PolarHBondContact O-N 2.9Å
498K33Very low50.4Low194 Ų194101 Ų10184%0.84363%0.631SS**PPolyproline II helixtrans-50.2138.4166.5-78177174.7177.70107.9P496 S500P496-K498 PolarHBondContact O-N 2.99Å; K498-S500 PolarHBondContact O-N 3.43Å
499P37.9Very low53.3Low121 Ų121100.7 Ų100.779%0.78662%0.622SS**PPolyproline II helixtrans-56.3118-177.722.5-31.6000108.8Q501P499-Q501 PolarHBondContact O-N 3.25Å
500S46.9Very low56.2Low105 Ų10595 Ų9573%0.73459%0.588SS**PPolyproline II helixtrans-49.6125.8167.8-47.60000107.4K498 S502K498-S500 PolarHBondContact O-N 3.43Å; S500-S502 PolarHBondContact O-N 3.27Å
501Q50.3Low59.3Low153 Ų15387.5 Ų87.572%0.71555%0.551SS**  trans-55.4113.2179.2-74.3-178.3-10.300108.4P499 V506P499-Q501 PolarHBondContact O-N 3.25Å; Q501-V506 HydrophobicContact CB-CG2 4.34Å
502S61.8Low62.1Low68 Ų6886.7 Ų86.748%0.47653%0.53SS..  trans-59145.6174.262.80000109.6S500 N504 S505 V506S500-S502 PolarHBondContact O-N 3.27Å; S502-N504 PolarHBondContact O-N 3.43Å; S502-N504 VanDerWaalsContact O-N 3.08Å; S502-S505 PolarHBondContact N-OG 2.96Å; S502-S505 WeakPolarHBondContact O-CB 3.36Å; S502-S505 PolarHBondContact O-N 3.01Å; S502-S505 PolarHBondContact O-OG 2.92Å; S502-S505 PolarHBondContact OG-N 3.35Å; S502-V506 PolarHBondContact O-N 3.37Å
503S71.2Confident65.1Low57 Ų5784.5 Ų84.540%0.39950%0.502SS..Hα-helixtrans-49.2-35.9175.450.60000112.9G480 S505 V506 S507G480-S503 VanDerWaalsContact O-CB 3.3Å; G480-S503 WeakPolarHBondContact O-CB 3.36Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 PolarHBondContact O-N 2.85Å; S503-V506 PolarHBondContact O-N 2.85Å; S503-S507 PolarHBondContact O-N 3.36Å
504N79.5Confident67.9Low110 Ų11081 Ų8159%0.58847%0.466SS*.Hα-helixtrans-61.8-38.3174.9-69-8.1000113S502 S507 D508S502-N504 PolarHBondContact O-N 3.43Å; S502-N504 VanDerWaalsContact O-N 3.08Å; N504-S507 PolarHBondContact O-N 3.04Å; N504-D508 WeakPolarHBondContact O-CB 3.36Å; N504-D508 VanDerWaalsContact O-CG 3.27Å; N504-D508 PolarHBondContact O-N 2.66Å
505S84.7Confident71Confident42 Ų4272.1 Ų72.129%0.29442%0.419SS..Hα-helixtrans-67.8-37.1-178.867.70000113S502 S503 E509S502-S505 PolarHBondContact N-OG 2.96Å; S502-S505 WeakPolarHBondContact O-CB 3.36Å; S502-S505 PolarHBondContact O-N 3.01Å; S502-S505 PolarHBondContact O-OG 2.92Å; S502-S505 PolarHBondContact OG-N 3.35Å; S503-S505 VanDerWaalsContact C-N 3.35Å; S503-S505 PolarHBondContact O-N 2.85Å; S505-E509 WeakPolarHBondContact O-CB 3.4Å; S505-E509 PolarHBondContact O-N 3.31Å
506V88Confident73.9Confident27 Ų2768.7 Ų68.716%0.16439%0.392CS..Hα-helixtrans-68.7-45.1176179.80000110.1V483 Q501 S502 S503 D508 E509 L510V483-V506 HydrophobicContact CG2-CG1 4.24Å; V483-V506 HydrophobicContact CG2-CG2 4.39Å; Q501-V506 HydrophobicContact CB-CG2 4.34Å; S502-V506 PolarHBondContact O-N 3.37Å; S503-V506 PolarHBondContact O-N 2.85Å; V506-D508 VanDerWaalsContact C-N 3.34Å; V506-D508 PolarHBondContact O-N 3.4Å; V506-E509 PolarHBondContact O-N 2.92Å; V506-L510 PolarHBondContact O-N 3.33Å
507S89.2Confident76.7Confident8 Ų863.6 Ų63.66%0.05636%0.359CS..Hα-helixtrans-57.1-47.5174.8-173.40000111.7A476 N477 S503 N504 E509 L510 R511A476-S507 WeakPolarHBondContact CB-O 3.18Å; A476-S507 WeakPolarHBondContact O-CA 3.28Å; A476-S507 VanDerWaalsContact O-CB 3.29Å; A476-S507 WeakPolarHBondContact O-CB 3.27Å; A476-S507 PolarHBondContact O-OG 3.25Å; N477-S507 PolarHBondContact OD1-OG 2.89Å; S503-S507 PolarHBondContact O-N 3.36Å; N504-S507 PolarHBondContact O-N 3.04Å; S507-E509 VanDerWaalsContact C-N 3.35Å; S507-E509 PolarHBondContact O-N 3.49Å; S507-L510 PolarHBondContact O-N 2.83Å; S507-R511 WeakPolarHBondContact O-CB 3.49Å; S507-R511 PolarHBondContact O-N 3.49Å; S507-R511 PolarHBondContact O-NH1 2.79Å; S507-R511 PolarHBondContact OG-NH2 3.01Å
508D89.1Confident79.7Confident51 Ų5160.3 Ų60.327%0.27333%0.325SS..Hα-helixtrans-65.9-35.9-179.9-74.6-22.9000113.1N504 V506 R511 R512N504-D508 WeakPolarHBondContact O-CB 3.36Å; N504-D508 VanDerWaalsContact O-CG 3.27Å; N504-D508 PolarHBondContact O-N 2.66Å; V506-D508 VanDerWaalsContact C-N 3.34Å; V506-D508 PolarHBondContact O-N 3.4Å; D508-R511 IonicContact OD1-CZ 3.8Å; D508-R511 IonicContact OD1-NH1 3.16Å; D508-R511 PolarHBondContact OD1-NH1 3.08Å; D508-R512 WeakPolarHBondContact O-CG 3.42Å; D508-R512 PolarHBondContact O-N 3.42Å; D508-R512 PolarHBondContact O-NH1 3.04Å
509E90.8Very high82.7Confident102 Ų10251.1 Ų51.148%0.47729%0.285SS..Hα-helixtrans-66.3-47.3174.7-176.757.4-154.400111.7S505 V506 S507 R511 R512 R513S505-E509 WeakPolarHBondContact O-CB 3.4Å; S505-E509 PolarHBondContact O-N 3.31Å; V506-E509 PolarHBondContact O-N 2.92Å; S507-E509 VanDerWaalsContact C-N 3.35Å; S507-E509 PolarHBondContact O-N 3.49Å; E509-R511 VanDerWaalsContact C-N 3.33Å; E509-R511 PolarHBondContact O-N 2.87Å; E509-R512 PolarHBondContact O-N 2.84Å; E509-R512 IonicContact OE2-CZ 2.74Å; E509-R512 IonicContact OE2-NE 3.72Å; E509-R512 PolarHBondContact OE2-NE 3.21Å; E509-R512 IonicContact OE2-NH2 2.77Å; E509-R512 PolarHBondContact OE2-NH2 3.35Å; E509-R513 WeakPolarHBondContact O-CB 3.05Å; E509-R513 PolarHBondContact O-N 3.35Å
510L92.6Very high85.3Confident5 Ų545.6 Ų45.63%0.02625%0.249CC..Hα-helixtrans-63.1-40.9177.2-178.756.8000111.7T232 E249 V479 V506 S507 R512 R513 L514T232-L510 HydrophobicContact CG2-CD1 3.98Å; E249-L510 HydrophobicContact CG-CD1 4.39Å; E249-L510 WeakPolarHBondContact OE1-CD1 3.48Å; E249-L510 WeakPolarHBondContact OE1-CD2 3.46Å; V479-L510 HydrophobicContact CB-CD2 3.66Å; V479-L510 HydrophobicContact CG1-CD2 3.94Å; V479-L510 HydrophobicContact CG2-CD2 3.6Å; V506-L510 PolarHBondContact O-N 3.33Å; S507-L510 PolarHBondContact O-N 2.83Å; L510-R512 PolarHBondContact O-N 3.24Å; L510-R513 PolarHBondContact O-N 3.01Å; L510-L514 HydrophobicContact CD1-CD1 4.08Å; L510-L514 HydrophobicContact CD1-CG 3.97Å; L510-L514 HydrophobicContact CG-CD1 3.93Å; L510-L514 HydrophobicContact CG-CG 4.29Å; L510-L514 WeakPolarHBondContact O-CB 3.27Å; L510-L514 WeakPolarHBondContact O-CG 3.47Å; L510-L514 PolarHBondContact O-N 3.47Å
511R94.1Very high87.5Confident30 Ų3040.7 Ų40.711%0.11322%0.215CC..Hα-helixtrans-59.2-45.7175.6-172.9-179.8-65.190.37.5111.5I472 N473 A476 N477 S507 D508 E509 L515I472-R511 HydrophobicContact CG2-CG 4.03Å; N473-R511 PolarHBondContact OD1-NE 3.28Å; N473-R511 PolarHBondContact OD1-NH2 3.38Å; A476-R511 HydrophobicContact CB-CB 3.88Å; N477-R511 PolarHBondContact OD1-NH2 2.89Å; S507-R511 WeakPolarHBondContact O-CB 3.49Å; S507-R511 PolarHBondContact O-N 3.49Å; S507-R511 PolarHBondContact O-NH1 2.79Å; S507-R511 PolarHBondContact OG-NH2 3.01Å; D508-R511 IonicContact OD1-CZ 3.8Å; D508-R511 IonicContact OD1-NH1 3.16Å; D508-R511 PolarHBondContact OD1-NH1 3.08Å; E509-R511 VanDerWaalsContact C-N 3.33Å; E509-R511 PolarHBondContact O-N 2.87Å; R511-L515 HydrophobicContact CG-CD1 4.08Å; R511-L515 WeakPolarHBondContact O-CB 2.98Å; R511-L515 VanDerWaalsContact O-CG 3.31Å; R511-L515 WeakPolarHBondContact O-CG 3.5Å; R511-L515 PolarHBondContact O-N 3.12Å
512R92.2Very high89.4Confident70 Ų7033.4 Ų33.426%0.26418%0.181SC..Hα-helixtrans-60.8-46.7174.6-77.3-173-63.9-86.84.7111.5D508 E509 L510 L514 L515 G516 P559D508-R512 WeakPolarHBondContact O-CG 3.42Å; D508-R512 PolarHBondContact O-N 3.42Å; D508-R512 PolarHBondContact O-NH1 3.04Å; E509-R512 PolarHBondContact O-N 2.84Å; E509-R512 IonicContact OE2-CZ 2.74Å; E509-R512 IonicContact OE2-NE 3.72Å; E509-R512 PolarHBondContact OE2-NE 3.21Å; E509-R512 IonicContact OE2-NH2 2.77Å; E509-R512 PolarHBondContact OE2-NH2 3.35Å; L510-R512 PolarHBondContact O-N 3.24Å; R512-L514 PolarHBondContact O-N 3.44Å; R512-L515 PolarHBondContact O-N 3.01Å; R512-G516 PolarHBondContact O-N 3.38Å; R512-P559 HydrophobicContact CG-CB 4.36Å
513R93.4Very high90.4Very high84 Ų8431.8 Ų31.832%0.31717%0.174SC..Hα-helixtrans-60-44.7179.5-173.5166.867.6155.21.7111.9T232 E249 D250 E509 L510 G516 C517T232-R513 HydrophobicContact CG2-CG 4.1Å; T232-R513 VanDerWaalsContact OG1-CZ 3.23Å; T232-R513 PolarHBondContact OG1-NH1 3.06Å; T232-R513 PolarHBondContact OG1-NH2 3.19Å; E249-R513 IonicContact OE1-NH2 2.94Å; E249-R513 PolarHBondContact OE1-NH2 2.89Å; D250-R513 IonicContact OD1-NH1 2.74Å; E509-R513 WeakPolarHBondContact O-CB 3.05Å; E509-R513 PolarHBondContact O-N 3.35Å; L510-R513 PolarHBondContact O-N 3.01Å; R513-G516 PolarHBondContact O-N 3.32Å; R513-C517 VanDerWaalsContact O-CB 3.31Å; R513-C517 WeakPolarHBondContact O-CB 3.03Å; R513-C517 PolarHBondContact O-N 3.3Å; R513-C517 VanDerWaalsContact O-N 3.11Å
514L96.3Very high90.9Very high0 Ų029.8 Ų29.80%016%0.163CC..Hα-helixtrans-68.6-38.7178.3-70.9171.6000112.9T232 C247 I472 C475 L510 R512 C517 I518T232-L514 HydrophobicContact CG2-CD2 3.78Å; T232-L514 HydrophobicContact CG2-CG 4.43Å; C247-L514 HydrophobicContact CB-CD1 4.17Å; C247-L514 HydrophobicContact CB-CD2 4.18Å; I472-L514 HydrophobicContact CD1-CB 4.3Å; I472-L514 HydrophobicContact CG1-CB 4.11Å; I472-L514 HydrophobicContact CG2-CB 3.87Å; I472-L514 HydrophobicContact CG2-CD1 4.09Å; C475-L514 HydrophobicContact CB-CD1 3.92Å; L510-L514 HydrophobicContact CD1-CD1 4.08Å; L510-L514 HydrophobicContact CD1-CG 3.97Å; L510-L514 HydrophobicContact CG-CD1 3.93Å; L510-L514 HydrophobicContact CG-CG 4.29Å; L510-L514 WeakPolarHBondContact O-CB 3.27Å; L510-L514 WeakPolarHBondContact O-CG 3.47Å; L510-L514 PolarHBondContact O-N 3.47Å; R512-L514 PolarHBondContact O-N 3.44Å; L514-C517 CarbonylContact O-C 3.57Å; L514-C517 PolarHBondContact O-N 3.49Å; L514-I518 WeakPolarHBondContact O-CG1 3.27Å
515L95.6Very high90.6Very high2 Ų225 Ų251%0.0114%0.138CC..Hα-helixtrans-67.9-36.4175.2-72.8167.5000112.1W469 I472 R511 R512 C517 P559 T560 V561 E562W469-L515 HydrophobicContact CE3-CD2 4.33Å; W469-L515 HydrophobicContact CZ3-CD1 3.95Å; W469-L515 HydrophobicContact CZ3-CD2 4.28Å; I472-L515 HydrophobicContact CD1-CD2 3.76Å; I472-L515 HydrophobicContact CD1-CG 4.25Å; I472-L515 HydrophobicContact CG2-CG 4.36Å; R511-L515 HydrophobicContact CG-CD1 4.08Å; R511-L515 WeakPolarHBondContact O-CB 2.98Å; R511-L515 VanDerWaalsContact O-CG 3.31Å; R511-L515 WeakPolarHBondContact O-CG 3.5Å; R511-L515 PolarHBondContact O-N 3.12Å; R512-L515 PolarHBondContact O-N 3.01Å; L515-C517 VanDerWaalsContact C-N 3.25Å; L515-C517 PolarHBondContact O-N 3.23Å; L515-P559 HydrophobicContact CD1-CB 3.81Å; L515-P559 HydrophobicContact CD1-CG 4.13Å; L515-T560 CarbonylContact C-O 3.51Å; L515-V561 HydrophobicContact CB-CG2 4.45Å; L515-V561 HydrophobicContact CD2-CG2 4.3Å; L515-V561 VanDerWaalsContact O-CA 3.32Å; L515-V561 WeakPolarHBondContact O-CA 3.24Å; L515-E562 PolarHBondContact O-N 3.46Å
516G95Very high89.2Confident11 Ų1125.9 Ų25.911%0.11315%0.147CC..THydrogen-bonded Turntrans-79.9-0.4174.900000114.4R512 R513 T560R512-G516 PolarHBondContact O-N 3.38Å; R513-G516 PolarHBondContact O-N 3.32Å; G516-T560 WeakPolarHBondContact CA-O 3.38Å; G516-T560 PolarHBondContact N-O 2.96Å
517C95.6Very high87.6Confident27 Ų2726 Ų2618%0.18215%0.153CC..  trans-141.168.9180-69.70000110.1A233 C234 R513 L514 L515 I564A233-C517 CarbonylContact C-O 3.54Å; A233-C517 WeakPolarHBondContact CA-O 3.43Å; A233-C517 HydrophobicContact CB-CB 4.26Å; A233-C517 VanDerWaalsContact CB-O 3.27Å; A233-C517 WeakPolarHBondContact CB-O 3.47Å; C234-C517 PolarHBondContact N-O 3.37Å; R513-C517 VanDerWaalsContact O-CB 3.31Å; R513-C517 WeakPolarHBondContact O-CB 3.03Å; R513-C517 PolarHBondContact O-N 3.3Å; R513-C517 VanDerWaalsContact O-N 3.11Å; L514-C517 CarbonylContact O-C 3.57Å; L514-C517 PolarHBondContact O-N 3.49Å; L515-C517 VanDerWaalsContact C-N 3.25Å; L515-C517 PolarHBondContact O-N 3.23Å; C517-I564 HydrophobicContact CB-CD1 4.17Å
518I96.7Very high85.6Confident0 Ų026.9 Ų26.90%016%0.159CC..EExtended strand (participates in β ladder)trans-97.4125.9174.5-58.5178.2000108.9C234 I236 L514 L541 V561 E562 I563 I564C234-I518 HydrophobicContact CB-CG1 4.32Å; C234-I518 CarbonylContact O-C 3.51Å; C234-I518 WeakPolarHBondContact O-CA 3.17Å; I236-I518 HydrophobicContact CD1-CG2 3.6Å; I236-I518 HydrophobicContact CG1-CG2 4.22Å; L514-I518 WeakPolarHBondContact O-CG1 3.27Å; I518-L541 HydrophobicContact CD1-CD1 3.4Å; I518-V561 HydrophobicContact CD1-CG1 4.06Å; I518-E562 PolarHBondContact N-O 3.22Å; I518-I563 HydrophobicContact CB-CG1 4.12Å; I518-I563 HydrophobicContact CG2-CG1 4.14Å; I518-I563 CarbonylContact O-C 3.57Å; I518-I563 WeakPolarHBondContact O-CA 3.3Å; I518-I564 PolarHBondContact O-N 3.48Å
519I95.1Very high83.9Confident1 Ų129.1 Ų29.11%0.00517%0.171CC..EExtended strand (participates in β ladder)trans-106.9119.8178.9-62.4167.4000108.5T225 I228 A233 C234 V235 I236 I564 L572T225-I519 HydrophobicContact CG2-CD1 4.05Å; I228-I519 HydrophobicContact CD1-CD1 4.5Å; I228-I519 HydrophobicContact CD1-CG1 4.29Å; I228-I519 HydrophobicContact CG2-CD1 3.6Å; I228-I519 HydrophobicContact CG2-CG1 4.48Å; A233-I519 HydrophobicContact CB-CD1 3.41Å; A233-I519 VanDerWaalsContact CB-CD1 3.41Å; A233-I519 HydrophobicContact CB-CG1 3.92Å; C234-I519 PolarHBondContact O-N 2.91Å; V235-I519 HydrophobicContact CG2-CB 4.44Å; V235-I519 HydrophobicContact CG2-CD1 4.29Å; I236-I519 PolarHBondContact N-O 2.96Å; I519-I564 HydrophobicContact CG1-CD1 4.39Å; I519-L572 HydrophobicContact CG2-CD2 3.51Å
520L93.6Very high83Confident5 Ų524.9 Ų24.93%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-97114.8172-171.265.4000109.8I236 I238 V525 N530 M533 I563I236-L520 HydrophobicContact CB-CD1 4.07Å; I236-L520 HydrophobicContact CG2-CD1 3.92Å; I238-L520 HydrophobicContact CD1-CD1 3.79Å; I238-L520 HydrophobicContact CG1-CD1 4.02Å; L520-V525 HydrophobicContact CD1-CG1 3.9Å; L520-V525 HydrophobicContact CD2-CG1 4.01Å; L520-V525 HydrophobicContact CG-CB 4.49Å; L520-V525 HydrophobicContact CG-CG1 3.72Å; L520-N530 HydrophobicContact CD2-CB 4.37Å; L520-M533 HydrophobicContact CD2-CB 4.2Å; L520-M533 HydrophobicContact CD2-CG 3.78Å; L520-I563 HydrophobicContact CB-CG2 4.03Å
521T93.1Very high82.5Confident2 Ų229 Ų291%0.01217%0.17CC..EExtended strand (participates in β ladder)trans-134.1174.6-174.6-174.30000111.6A224 V235 I236 N237 I238 P569A224-T521 HydrophobicContact CB-CG2 4.41Å; V235-T521 HydrophobicContact CG1-CG2 3.62Å; I236-T521 PolarHBondContact O-N 3.47Å; N237-T521 CarbonylContact C-O 3.56Å; N237-T521 VanDerWaalsContact CA-O 3.31Å; N237-T521 WeakPolarHBondContact CA-O 3.18Å; N237-T521 HydrophobicContact CB-CG2 3.75Å; I238-T521 PolarHBondContact N-O 2.96Å; T521-P569 WeakPolarHBondContact CA-O 3.38Å; T521-P569 WeakPolarHBondContact CB-O 3.47Å; T521-P569 PolarHBondContact OG1-O 3Å
522G89.7Confident82.2Confident0 Ų028.1 Ų28.10%017%0.168CC..SBendtrans109.4155.817500000114.2N237 I238 G524 V525 P569 G570N237-G522 WeakPolarHBondContact OD1-CA 3.38Å; I238-G522 CarbonylContact O-C 3.59Å; I238-G522 WeakPolarHBondContact O-CA 3.42Å; G522-G524 PolarHBondContact O-N 2.99Å; G522-V525 WeakPolarHBondContact O-CG2 3.37Å; G522-V525 PolarHBondContact O-N 2.92Å; G522-P569 PolarHBondContact N-O 3.19Å; G522-P569 VanDerWaalsContact N-O 3.09Å; G522-G570 WeakPolarHBondContact O-CA 3.43Å
523G83.5Confident82.1Confident33 Ų3325.6 Ų25.634%0.3416%0.159SC..THydrogen-bonded Turntrans-67.8-1817800000113.6V525 A526G523-V525 VanDerWaalsContact C-N 3.32Å; G523-A526 PolarHBondContact O-N 3.08Å
524G82Confident82Confident15 Ų1524 Ų2416%0.15516%0.156CC..THydrogen-bonded Turntrans-74.5-21.5176.400000113.6I238 G522I238-G524 WeakPolarHBondContact O-CA 3.49Å; I238-G524 PolarHBondContact O-N 3.08Å; G522-G524 PolarHBondContact O-N 2.99Å
525V73Confident81.7Confident11 Ų1129.7 Ų29.77%0.06718%0.177CC..THydrogen-bonded Turntrans-87.8-18.5171.6-61.80000113.4I238 L520 G522 G523 G527 N530 P569I238-V525 HydrophobicContact CB-CG1 3.62Å; I238-V525 HydrophobicContact CD1-CG1 3.74Å; I238-V525 HydrophobicContact CG1-CG1 3.85Å; I238-V525 HydrophobicContact CG2-CG1 4.39Å; L520-V525 HydrophobicContact CD1-CG1 3.9Å; L520-V525 HydrophobicContact CD2-CG1 4.01Å; L520-V525 HydrophobicContact CG-CB 4.49Å; L520-V525 HydrophobicContact CG-CG1 3.72Å; G522-V525 WeakPolarHBondContact O-CG2 3.37Å; G522-V525 PolarHBondContact O-N 2.92Å; G523-V525 VanDerWaalsContact C-N 3.32Å; V525-G527 PolarHBondContact O-N 2.67Å; V525-N530 WeakPolarHBondContact CB-OD1 3.33Å; V525-N530 PolarHBondContact O-OD1 3.22Å; V525-P569 HydrophobicContact CG2-CB 3.68Å; V525-P569 HydrophobicContact CG2-CG 3.77Å
526A55.2Low81.6Confident60 Ų6029.8 Ų29.850%0.49618%0.177SC..  trans-67.716.8-172.500000116.1G523G523-A526 PolarHBondContact O-N 3.08Å
527G53.9Low81.6Confident28 Ų2829.3 Ų29.329%0.28917%0.172SC..SBendtrans-102119.8168.300000110.8V525V525-G527 PolarHBondContact O-N 2.67Å
528V47.7Very low81.5Confident28 Ų2829 Ų2917%0.1717%0.17CC..THydrogen-bonded Turntrans44.185173.2-148.10000115.6V310 I314 N530V310-V528 HydrophobicContact CB-CB 4.24Å; V310-V528 HydrophobicContact CB-CG2 3.75Å; V310-V528 HydrophobicContact CG1-CB 3.45Å; V310-V528 VanDerWaalsContact CG1-CB 3.45Å; V310-V528 HydrophobicContact CG1-CG1 3.92Å; V310-V528 HydrophobicContact CG1-CG2 3.55Å; I314-V528 HydrophobicContact CD1-CB 4.14Å; I314-V528 HydrophobicContact CD1-CG1 3.45Å; I314-V528 VanDerWaalsContact CD1-CG1 3.45Å; I314-V528 HydrophobicContact CG1-CG1 4.49Å; V528-N530 VanDerWaalsContact C-N 3.28Å; V528-N530 PolarHBondContact O-N 2.97Å
529N53.9Low81.4Confident98 Ų9831.7 Ų31.752%0.52418%0.182SC..THydrogen-bonded Turntrans54.19162.1-75-8.3000120.1Q531N529-Q531 HydrophobicContact CB-CG 4.09Å; N529-Q531 WeakPolarHBondContact O-CG 3.4Å; N529-Q531 PolarHBondContact O-N 3.5Å
530N71Confident81.4Confident13 Ų1334 Ų347%0.0719%0.192CC..SBendtrans56.7-7.7179.1-60.2-12.1000116.1L520 V525 V528 I532 M533 E534 P569L520-N530 HydrophobicContact CD2-CB 4.37Å; V525-N530 WeakPolarHBondContact CB-OD1 3.33Å; V525-N530 PolarHBondContact O-OD1 3.22Å; V528-N530 VanDerWaalsContact C-N 3.28Å; V528-N530 PolarHBondContact O-N 2.97Å; N530-I532 VanDerWaalsContact C-N 3.28Å; N530-I532 PolarHBondContact O-N 3.18Å; N530-M533 PolarHBondContact O-N 3.21Å; N530-M533 VanDerWaalsContact O-N 3.11Å; N530-E534 VanDerWaalsContact O-CB 3.29Å; N530-E534 WeakPolarHBondContact O-CB 3.49Å; N530-E534 PolarHBondContact O-N 3.21Å; N530-P569 WeakPolarHBondContact ND2-CG 3.33Å
531Q81.3Confident81.5Confident91 Ų9133.7 Ų33.743%0.42519%0.191SC..Hα-helixtrans-60.3-36.9-165.7-73.8174.43.700112.6N529 R535N529-Q531 HydrophobicContact CB-CG 4.09Å; N529-Q531 WeakPolarHBondContact O-CG 3.4Å; N529-Q531 PolarHBondContact O-N 3.5Å; Q531-R535 WeakPolarHBondContact O-CB 3.42Å; Q531-R535 PolarHBondContact O-N 3.12Å
532I88.5Confident81.5Confident11 Ų1135.1 Ų35.16%0.05620%0.198CC..Hα-helixtrans-62.3-51.6179.3-58.8168.1000110F81 V310 L368 H371 I372 N530 W536F81-I532 HydrophobicContact CE2-CG2 4.49Å; F81-I532 HydrophobicContact CZ-CB 4.41Å; F81-I532 HydrophobicContact CZ-CG2 3.99Å; V310-I532 HydrophobicContact CG1-CD1 3.89Å; L368-I532 HydrophobicContact CD2-CB 4.4Å; L368-I532 HydrophobicContact CD2-CD1 3.57Å; L368-I532 HydrophobicContact CD2-CG1 3.6Å; L368-I532 HydrophobicContact CD2-CG2 3.94Å; H371-I532 HydrophobicContact CB-CG2 4.32Å; I372-I532 HydrophobicContact CD1-CG2 3.94Å; I372-I532 HydrophobicContact CG1-CG2 4.1Å; N530-I532 VanDerWaalsContact C-N 3.28Å; N530-I532 PolarHBondContact O-N 3.18Å; I532-W536 VanDerWaalsContact O-CB 3.29Å; I532-W536 WeakPolarHBondContact O-CB 3.18Å; I532-W536 PolarHBondContact O-N 3.34Å
533M89.9Confident81.7Confident18 Ų1837.5 Ų37.59%0.08922%0.218CC..Hα-helixtrans-70.6-42.6-176.3-173.662.2-113.900110.9I238 F375 L464 L520 N530 W536 L537I238-M533 HydrophobicContact CD1-CG 4.15Å; I238-M533 HydrophobicContact CD1-SD 4.19Å; F375-M533 HydrophobicContact CD2-SD 4.04Å; F375-M533 HydrophobicContact CE2-SD 4.41Å; L464-M533 HydrophobicContact CD2-CE 3.99Å; L520-M533 HydrophobicContact CD2-CB 4.2Å; L520-M533 HydrophobicContact CD2-CG 3.78Å; N530-M533 PolarHBondContact O-N 3.21Å; N530-M533 VanDerWaalsContact O-N 3.11Å; M533-W536 HydrophobicContact CE-CD2 4.5Å; M533-W536 HydrophobicContact CE-CE3 3.23Å; M533-W536 HydrophobicContact CE-CZ3 3.39Å; M533-W536 HydrophobicContact SD-CE3 3.96Å; M533-W536 HydrophobicContact SD-CZ3 4.17Å; M533-L537 HydrophobicContact CE-CB 3.6Å; M533-L537 HydrophobicContact CE-CD1 4.46Å; M533-L537 HydrophobicContact CE-CD2 4Å; M533-L537 HydrophobicContact CE-CG 4.24Å; M533-L537 WeakPolarHBondContact O-CB 3.35Å; M533-L537 PolarHBondContact O-N 2.87Å
534E90.6Very high82.1Confident51 Ų5137.2 Ų37.224%0.23821%0.209CC..Hα-helixtrans-59.5-50.7175.7-172.2-177.1139.500111.3N530 T538 I563 H565N530-E534 VanDerWaalsContact O-CB 3.29Å; N530-E534 WeakPolarHBondContact O-CB 3.49Å; N530-E534 PolarHBondContact O-N 3.21Å; E534-T538 VanDerWaalsContact O-CB 3.26Å; E534-T538 WeakPolarHBondContact O-CB 3.32Å; E534-T538 PolarHBondContact O-N 3.46Å; E534-T538 PolarHBondContact O-OG1 3.29Å; E534-I563 HydrophobicContact CG-CB 3.9Å; E534-I563 HydrophobicContact CG-CD1 4.42Å; E534-I563 HydrophobicContact CG-CG2 3.88Å; E534-H565 IonicContact OE2-ND1 3.3Å
535R90.7Very high82.5Confident119 Ų11936.6 Ų36.645%0.44920%0.202SC..Hα-helixtrans-62.5-47.8179.8-175.961.1175.3153.28111.6L80 F81 Q531 E539L80-R535 HydrophobicContact CD1-CG 4.06Å; L80-R535 HydrophobicContact CD2-CG 4.44Å; L80-R535 HydrophobicContact CG-CG 4.22Å; F81-R535 HydrophobicContact CE1-CB 4.31Å; F81-R535 HydrophobicContact CE1-CG 4.22Å; F81-R535 HydrophobicContact CZ-CB 4.29Å; F81-R535 HydrophobicContact CZ-CG 4.34Å; Q531-R535 WeakPolarHBondContact O-CB 3.42Å; Q531-R535 PolarHBondContact O-N 3.12Å; R535-E539 IonicContact CZ-OE1 3.73Å; R535-E539 VanDerWaalsContact CZ-OE1 3.26Å; R535-E539 IonicContact NH1-OE1 2.73Å; R535-E539 PolarHBondContact NH1-OE1 2.87Å; R535-E539 IonicContact NH2-OE1 3.94Å; R535-E539 PolarHBondContact NH2-OE1 3.18Å; R535-E539 WeakPolarHBondContact O-CG 3.39Å; R535-E539 PolarHBondContact O-N 3.28Å
536W93.4Very high83.2Confident4 Ų442.9 Ų42.92%0.01522%0.224CC..Hα-helixtrans-62.4-50.9179.2174.171.9000112.2Y76 L80 I372 F375 A376 P465 I532 M533 T538 E539 Q540Y76-W536 AromaticContact CE1-CD1 3.64Å; Y76-W536 AromaticContact CE1-NE1 3.89Å; L80-W536 HydrophobicContact CD2-CB 3.96Å; L80-W536 HydrophobicContact CD2-CG 4.48Å; I372-W536 HydrophobicContact CB-CD2 4.44Å; I372-W536 HydrophobicContact CD1-CB 3.82Å; I372-W536 HydrophobicContact CD1-CG 3.83Å; I372-W536 HydrophobicContact CG1-CB 4.08Å; I372-W536 HydrophobicContact CG1-CD2 4.12Å; I372-W536 HydrophobicContact CG1-CE3 4.38Å; I372-W536 HydrophobicContact CG1-CG 3.88Å; I372-W536 HydrophobicContact CG2-CD2 3.68Å; I372-W536 HydrophobicContact CG2-CE3 4.22Å; I372-W536 HydrophobicContact CG2-CG 3.91Å; I372-W536 HydrophobicContact CG2-CZ2 4.06Å; F375-W536 HydrophobicContact CB-CH2 3.86Å; F375-W536 HydrophobicContact CB-CZ3 3.64Å; A376-W536 HydrophobicContact CB-CH2 4.01Å; A376-W536 HydrophobicContact CB-CZ2 3.53Å; P465-W536 HydrophobicContact CG-CH2 3.78Å; P465-W536 HydrophobicContact CG-CZ2 3.98Å; P465-W536 HydrophobicContact CG-CZ3 4.46Å; I532-W536 VanDerWaalsContact O-CB 3.29Å; I532-W536 WeakPolarHBondContact O-CB 3.18Å; I532-W536 PolarHBondContact O-N 3.34Å; M533-W536 HydrophobicContact CE-CD2 4.5Å; M533-W536 HydrophobicContact CE-CE3 3.23Å; M533-W536 HydrophobicContact CE-CZ3 3.39Å; M533-W536 HydrophobicContact SD-CE3 3.96Å; M533-W536 HydrophobicContact SD-CZ3 4.17Å; W536-T538 VanDerWaalsContact C-N 3.35Å; W536-T538 PolarHBondContact O-N 3.24Å; W536-E539 PolarHBondContact O-N 2.93Å; W536-Q540 HydrophobicContact CD2-CG 4.33Å; W536-Q540 HydrophobicContact CG-CG 4.47Å; W536-Q540 HydrophobicContact CZ2-CG 4.02Å; W536-Q540 WeakPolarHBondContact O-CB 3.36Å; W536-Q540 VanDerWaalsContact O-CG 3.24Å; W536-Q540 WeakPolarHBondContact O-CG 3.29Å; W536-Q540 PolarHBondContact O-N 3.18Å
537L94.5Very high84.8Confident0 Ų045.6 Ų45.60%023%0.227CC..Hα-helixtrans-65.8-38.5-176.8-175.458000112.2I236 P465 M533 Q540 L541 I563I236-L537 HydrophobicContact CD1-CD2 3.6Å; P465-L537 HydrophobicContact CB-CD1 4.13Å; P465-L537 HydrophobicContact CG-CD1 3.73Å; M533-L537 HydrophobicContact CE-CB 3.6Å; M533-L537 HydrophobicContact CE-CD1 4.46Å; M533-L537 HydrophobicContact CE-CD2 4Å; M533-L537 HydrophobicContact CE-CG 4.24Å; M533-L537 WeakPolarHBondContact O-CB 3.35Å; M533-L537 PolarHBondContact O-N 2.87Å; L537-Q540 PolarHBondContact O-N 2.89Å; L537-L541 HydrophobicContact CD1-CD1 3.87Å; L537-L541 HydrophobicContact CD1-CG 3.92Å; L537-L541 HydrophobicContact CD2-CD1 4.49Å; L537-L541 HydrophobicContact CG-CD1 3.78Å; L537-L541 HydrophobicContact CG-CG 4.26Å; L537-L541 WeakPolarHBondContact O-CB 3.42Å; L537-L541 VanDerWaalsContact O-CG 3.29Å; L537-L541 WeakPolarHBondContact O-CG 3.39Å; L537-L541 PolarHBondContact O-N 2.96Å; L537-I563 HydrophobicContact CB-CD1 3.69Å; L537-I563 HydrophobicContact CD2-CD1 3.8Å; L537-I563 HydrophobicContact CG-CD1 3.77Å
538T94.4Very high86.2Confident22 Ų2248.6 Ų48.614%0.13523%0.232CC..Hα-helixtrans-59.2-52177-59.40000111E534 W536 Q540 L541 I542 V561 I563E534-T538 VanDerWaalsContact O-CB 3.26Å; E534-T538 WeakPolarHBondContact O-CB 3.32Å; E534-T538 PolarHBondContact O-N 3.46Å; E534-T538 PolarHBondContact O-OG1 3.29Å; W536-T538 VanDerWaalsContact C-N 3.35Å; W536-T538 PolarHBondContact O-N 3.24Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; T538-Q540 PolarHBondContact O-N 3.14Å; T538-L541 PolarHBondContact O-N 3.38Å; T538-I542 HydrophobicContact CG2-CD1 3.83Å; T538-I542 VanDerWaalsContact O-CG1 3.24Å; T538-I542 WeakPolarHBondContact O-CG1 3.01Å; T538-I542 PolarHBondContact O-N 3.36Å; T538-V561 HydrophobicContact CG2-CG1 4.38Å; T538-I563 VanDerWaalsContact OG1-CD1 3.3Å; T538-I563 WeakPolarHBondContact OG1-CD1 3.22Å
539E94.2Very high87.4Confident56 Ų5650.2 Ų50.226%0.26224%0.237SC..Hα-helixtrans-64.8-37.6-179.5-67.3-63.4158.900112.3Y76 L80 R535 W536 A543Y76-E539 WeakPolarHBondContact OH-CB 3.49Å; L80-E539 HydrophobicContact CD1-CB 4.2Å; L80-E539 HydrophobicContact CD1-CG 3.62Å; R535-E539 IonicContact CZ-OE1 3.73Å; R535-E539 VanDerWaalsContact CZ-OE1 3.26Å; R535-E539 IonicContact NH1-OE1 2.73Å; R535-E539 PolarHBondContact NH1-OE1 2.87Å; R535-E539 IonicContact NH2-OE1 3.94Å; R535-E539 PolarHBondContact NH2-OE1 3.18Å; R535-E539 WeakPolarHBondContact O-CG 3.39Å; R535-E539 PolarHBondContact O-N 3.28Å; W536-E539 PolarHBondContact O-N 2.93Å; E539-A543 WeakPolarHBondContact O-CB 3.38Å; E539-A543 PolarHBondContact O-N 3.46Å
540Q95.1Very high88.1Confident48 Ų4849.4 Ų49.422%0.22424%0.244CC..Hα-helixtrans-65.6-44.6176.3-70.7-65.9-27.400112.5Y76 P465 W536 L537 T538 A543 I544Y76-Q540 PolarHBondContact OH-NE2 2.88Å; P465-Q540 HydrophobicContact CB-CB 3.91Å; P465-Q540 HydrophobicContact CG-CB 3.61Å; P465-Q540 HydrophobicContact CG-CG 4.12Å; W536-Q540 HydrophobicContact CD2-CG 4.33Å; W536-Q540 HydrophobicContact CG-CG 4.47Å; W536-Q540 HydrophobicContact CZ2-CG 4.02Å; W536-Q540 WeakPolarHBondContact O-CB 3.36Å; W536-Q540 VanDerWaalsContact O-CG 3.24Å; W536-Q540 WeakPolarHBondContact O-CG 3.29Å; W536-Q540 PolarHBondContact O-N 3.18Å; L537-Q540 PolarHBondContact O-N 2.89Å; T538-Q540 VanDerWaalsContact C-N 3.34Å; T538-Q540 PolarHBondContact O-N 3.14Å; Q540-A543 PolarHBondContact O-N 3.16Å; Q540-I544 WeakPolarHBondContact O-CG1 3.24Å; Q540-I544 PolarHBondContact O-N 3.49Å
541L95.7Very high87.9Confident0 Ų052.7 Ų52.70%027%0.274CS..Hα-helixtrans-68.7-35.9178.3-72.7174.3000112.1P465 V468 I518 L537 T538 A543 I544 A545 V561P465-L541 HydrophobicContact CB-CD2 4.16Å; V468-L541 HydrophobicContact CB-CD2 4.16Å; V468-L541 HydrophobicContact CG1-CD1 4.08Å; V468-L541 HydrophobicContact CG1-CD2 3.94Å; I518-L541 HydrophobicContact CD1-CD1 3.4Å; L537-L541 HydrophobicContact CD1-CD1 3.87Å; L537-L541 HydrophobicContact CD1-CG 3.92Å; L537-L541 HydrophobicContact CD2-CD1 4.49Å; L537-L541 HydrophobicContact CG-CD1 3.78Å; L537-L541 HydrophobicContact CG-CG 4.26Å; L537-L541 WeakPolarHBondContact O-CB 3.42Å; L537-L541 VanDerWaalsContact O-CG 3.29Å; L537-L541 WeakPolarHBondContact O-CG 3.39Å; L537-L541 PolarHBondContact O-N 2.96Å; T538-L541 PolarHBondContact O-N 3.38Å; L541-A543 VanDerWaalsContact C-N 3.34Å; L541-I544 PolarHBondContact O-N 3.01Å; L541-A545 WeakPolarHBondContact O-CB 3.45Å; L541-A545 PolarHBondContact O-N 2.88Å; L541-V561 HydrophobicContact CB-CG1 3.86Å; L541-V561 HydrophobicContact CB-CG2 4.18Å; L541-V561 HydrophobicContact CD1-CG1 4.14Å
542I93.9Very high87.1Confident32 Ų3253 Ų5316%0.16428%0.281CS..Hα-helixtrans-61-45.1171.9-70.8169.3000110.3T538 A545 R546 V561T538-I542 HydrophobicContact CG2-CD1 3.83Å; T538-I542 VanDerWaalsContact O-CG1 3.24Å; T538-I542 WeakPolarHBondContact O-CG1 3.01Å; T538-I542 PolarHBondContact O-N 3.36Å; I542-A545 PolarHBondContact O-N 3.02Å; I542-R546 HydrophobicContact CG2-CG 4.44Å; I542-R546 VanDerWaalsContact CG2-CZ 3.48Å; I542-R546 WeakPolarHBondContact O-CB 3.05Å; I542-R546 VanDerWaalsContact O-CG 3.27Å; I542-R546 WeakPolarHBondContact O-CG 3.44Å; I542-R546 PolarHBondContact O-N 2.75Å; I542-V561 HydrophobicContact CD1-CB 4.47Å; I542-V561 HydrophobicContact CG1-CB 3.76Å; I542-V561 HydrophobicContact CG1-CG2 3.76Å
543A93.4Very high85.5Confident50 Ų5059.3 Ų59.341%0.41332%0.321SS..Hα-helixtrans-61.1-49.2178.200000111.7E539 Q540 L541 A545 R546 E547E539-A543 WeakPolarHBondContact O-CB 3.38Å; E539-A543 PolarHBondContact O-N 3.46Å; Q540-A543 PolarHBondContact O-N 3.16Å; L541-A543 VanDerWaalsContact C-N 3.34Å; A543-A545 PolarHBondContact O-N 2.94Å; A543-R546 PolarHBondContact O-N 3.45Å; A543-E547 WeakPolarHBondContact O-CB 3.17Å; A543-E547 PolarHBondContact O-N 3.44Å
544I92.5Very high83.9Confident27 Ų2764.1 Ų64.114%0.13835%0.351CS..Hα-helixtrans-60.7-46.2177.2-67.4169.4000110.8P465 W469 Q540 L541 R546 E547 K548P465-I544 HydrophobicContact CB-CD1 3.56Å; W469-I544 HydrophobicContact CB-CG2 3.95Å; W469-I544 HydrophobicContact CD2-CG2 3.6Å; W469-I544 HydrophobicContact CE3-CG2 3.97Å; W469-I544 HydrophobicContact CG-CG2 3.55Å; Q540-I544 WeakPolarHBondContact O-CG1 3.24Å; Q540-I544 PolarHBondContact O-N 3.49Å; L541-I544 PolarHBondContact O-N 3.01Å; I544-R546 VanDerWaalsContact C-N 3.34Å; I544-R546 PolarHBondContact O-N 3.45Å; I544-E547 PolarHBondContact O-N 2.93Å; I544-K548 HydrophobicContact CG2-CG 4.26Å; I544-K548 WeakPolarHBondContact O-CG 3.33Å; I544-K548 PolarHBondContact O-N 3.15Å
545A89.2Confident82.5Confident1 Ų164.6 Ų64.61%0.00836%0.36CS..Hα-helixtrans-61.2-43.2-179.700000111.7W469 L541 I542 A543 Q549 P559W469-A545 HydrophobicContact CH2-CB 4.28Å; W469-A545 HydrophobicContact CZ3-CB 3.73Å; L541-A545 WeakPolarHBondContact O-CB 3.45Å; L541-A545 PolarHBondContact O-N 2.88Å; I542-A545 PolarHBondContact O-N 3.02Å; A543-A545 PolarHBondContact O-N 2.94Å; A545-Q549 VanDerWaalsContact O-CB 3.29Å; A545-Q549 WeakPolarHBondContact O-CB 3.49Å; A545-Q549 VanDerWaalsContact O-CG 3.26Å; A545-Q549 WeakPolarHBondContact O-CG 3.3Å; A545-Q549 PolarHBondContact O-N 2.78Å; A545-P559 HydrophobicContact CB-CG 3.92Å
546R88.4Confident81.2Confident144 Ų14465 Ų6554%0.54338%0.381SS..Hα-helixtrans-63.5-45.4176-74.2175-180170.13.8112.2I542 A543 I544 Q549 A550I542-R546 HydrophobicContact CG2-CG 4.44Å; I542-R546 VanDerWaalsContact CG2-CZ 3.48Å; I542-R546 WeakPolarHBondContact O-CB 3.05Å; I542-R546 VanDerWaalsContact O-CG 3.27Å; I542-R546 WeakPolarHBondContact O-CG 3.44Å; I542-R546 PolarHBondContact O-N 2.75Å; A543-R546 PolarHBondContact O-N 3.45Å; I544-R546 VanDerWaalsContact C-N 3.34Å; I544-R546 PolarHBondContact O-N 3.45Å; R546-Q549 PolarHBondContact O-N 3.16Å; R546-A550 PolarHBondContact O-N 3.02Å
547E88.1Confident79.9Confident117 Ų11770.6 Ų70.655%0.54741%0.407SS..Hα-helixtrans-59.8-48.6178.6-172.4-156.8127.700111.3A543 I544 A550A543-E547 WeakPolarHBondContact O-CB 3.17Å; A543-E547 PolarHBondContact O-N 3.44Å; I544-E547 PolarHBondContact O-N 2.93Å; E547-A550 PolarHBondContact O-N 3.38Å
548K83.7Confident78.5Confident91 Ų9175.3 Ų75.340%0.39643%0.431SS..Hα-helixtrans-74.4-27.9-177.2-60.6-52.6-177.7-151.90113.2W469 I544 A551 T552W469-K548 HydrophobicContact CH2-CB 4.2Å; W469-K548 HydrophobicContact CZ2-CB 3.53Å; W469-K548 HydrophobicContact CZ2-CG 3.83Å; I544-K548 HydrophobicContact CG2-CG 4.26Å; I544-K548 WeakPolarHBondContact O-CG 3.33Å; I544-K548 PolarHBondContact O-N 3.15Å; K548-A551 PolarHBondContact O-N 3.23Å; K548-T552 PolarHBondContact O-OG1 2.92Å
549Q73.9Confident77.4Confident61 Ų6174.8 Ų74.829%0.28543%0.428SS..Hα-helixtrans-70-38.8171.3-80.4-168.1-35.800113A545 R546 A551 T552 H557 P559A545-Q549 VanDerWaalsContact O-CB 3.29Å; A545-Q549 WeakPolarHBondContact O-CB 3.49Å; A545-Q549 VanDerWaalsContact O-CG 3.26Å; A545-Q549 WeakPolarHBondContact O-CG 3.3Å; A545-Q549 PolarHBondContact O-N 2.78Å; R546-Q549 PolarHBondContact O-N 3.16Å; Q549-A551 PolarHBondContact O-N 2.64Å; Q549-A551 VanDerWaalsContact O-N 3.14Å; Q549-T552 CarbonylContact O-C 3.49Å; Q549-T552 PolarHBondContact O-N 3.21Å; Q549-H557 PolarHBondContact NE2-O 3.11Å; Q549-P559 VanDerWaalsContact NE2-CD 3.29Å
550A68Low77.1Confident81 Ų8176.9 Ų76.967%0.66945%0.445SS*.Hα-helixtrans-58.8-26.8176.500000112.6R546 E547R546-A550 PolarHBondContact O-N 3.02Å; E547-A550 PolarHBondContact O-N 3.38Å
551A67.3Low77Confident83 Ų8375.4 Ų75.469%0.68644%0.439SS*.THydrogen-bonded Turntrans-76.8-18.7175.100000114.2K548 Q549K548-A551 PolarHBondContact O-N 3.23Å; Q549-A551 PolarHBondContact O-N 2.64Å; Q549-A551 VanDerWaalsContact O-N 3.14Å
552T63.8Low76.8Confident96 Ų9680.6 Ų80.659%0.58946%0.463SS*.SBendtrans-124.280.6-172-44.20000109.5K548 Q549 V554K548-T552 PolarHBondContact O-OG1 2.92Å; Q549-T552 CarbonylContact O-C 3.49Å; Q549-T552 PolarHBondContact O-N 3.21Å; T552-V554 HydrophobicContact CG2-CG2 4.42Å; T552-V554 PolarHBondContact O-N 3.43Å
553T53.9Low76.7Confident144 Ų14479.6 Ų79.688%0.88346%0.458SS*.THydrogen-bonded Turntrans-57.329.7-170.821.30000118.5
554V57.1Low76.6Confident119 Ų11978.9 Ų78.972%0.72145%0.447SS*.THydrogen-bonded Turntrans-108.2-19.7-166.3-171.10000114.6T552T552-V554 HydrophobicContact CG2-CG2 4.42Å; T552-V554 PolarHBondContact O-N 3.43Å
555S61.3Low76.1Confident62 Ų6282.2 Ų82.243%0.43446%0.462SS..  trans-138135.5-176.6-178.20000113.4H557S555-H557 PolarHBondContact OG-N 3.48Å
556S62.6Low75.8Confident126 Ų12684.3 Ų84.388%0.88147%0.471SS*.  trans-89-4.4179.162.50000114.3
557H66.8Low75.4Confident122 Ų12282.3 Ų82.357%0.56548%0.479SS*.PPolyproline II helixtrans-88.2116.4-177.1-149.5-67.4000110.8Q549 S555Q549-H557 PolarHBondContact NE2-O 3.11Å; S555-H557 PolarHBondContact OG-N 3.48Å
558I65.7Low75.2Confident100 Ų10080.6 Ų80.651%0.51347%0.471SS..PPolyproline II helixtrans-66.2127.4172-57172.2000107.3T560I558-T560 PolarHBondContact O-N 2.93Å
559P71.6Confident75.3Confident11 Ų1176.8 Ų76.87%0.07146%0.456CS..PPolyproline II helixtrans-72.7125.1176.527.4-27.6000106.7R512 L515 A545 Q549 V561R512-P559 HydrophobicContact CG-CB 4.36Å; L515-P559 HydrophobicContact CD1-CB 3.81Å; L515-P559 HydrophobicContact CD1-CG 4.13Å; A545-P559 HydrophobicContact CB-CG 3.92Å; Q549-P559 VanDerWaalsContact NE2-CD 3.29Å; P559-V561 PolarHBondContact O-N 3.38Å
560T86.9Confident75.9Confident99 Ų9974 Ų7461%0.60744%0.444SS*.PPolyproline II helixtrans-70.6122.117048.30000107.5L515 G516 I558L515-T560 CarbonylContact C-O 3.51Å; G516-T560 WeakPolarHBondContact CA-O 3.38Å; G516-T560 PolarHBondContact N-O 2.96Å; I558-T560 PolarHBondContact O-N 2.93Å
561V92.5Very high77Confident17 Ų1770.3 Ų70.310%0.10341%0.413CS..PPolyproline II helixtrans-93.2123.2168.6178.30000107L515 I518 T538 L541 I542 P559L515-V561 HydrophobicContact CB-CG2 4.45Å; L515-V561 HydrophobicContact CD2-CG2 4.3Å; L515-V561 VanDerWaalsContact O-CA 3.32Å; L515-V561 WeakPolarHBondContact O-CA 3.24Å; I518-V561 HydrophobicContact CD1-CG1 4.06Å; T538-V561 HydrophobicContact CG2-CG1 4.38Å; L541-V561 HydrophobicContact CB-CG1 3.86Å; L541-V561 HydrophobicContact CB-CG2 4.18Å; L541-V561 HydrophobicContact CD1-CG1 4.14Å; I542-V561 HydrophobicContact CD1-CB 4.47Å; I542-V561 HydrophobicContact CG1-CB 3.76Å; I542-V561 HydrophobicContact CG1-CG2 3.76Å; P559-V561 PolarHBondContact O-N 3.38Å
562E93Very high78.3Confident110 Ų11066.3 Ų66.351%0.51438%0.38SS..  trans-133.4120.6178.4-175.4175.6176.600109.4L515 I518L515-E562 PolarHBondContact O-N 3.46Å; I518-E562 PolarHBondContact N-O 3.22Å
563I92.1Very high79.8Confident10 Ų1061.8 Ų61.85%0.05135%0.352CS..EExtended strand (participates in β ladder)trans-96.5117170-60.4178.9000106.9I518 L520 E534 L537 T538 H565I518-I563 HydrophobicContact CB-CG1 4.12Å; I518-I563 HydrophobicContact CG2-CG1 4.14Å; I518-I563 CarbonylContact O-C 3.57Å; I518-I563 WeakPolarHBondContact O-CA 3.3Å; L520-I563 HydrophobicContact CB-CG2 4.03Å; E534-I563 HydrophobicContact CG-CB 3.9Å; E534-I563 HydrophobicContact CG-CD1 4.42Å; E534-I563 HydrophobicContact CG-CG2 3.88Å; L537-I563 HydrophobicContact CB-CD1 3.69Å; L537-I563 HydrophobicContact CD2-CD1 3.8Å; L537-I563 HydrophobicContact CG-CD1 3.77Å; T538-I563 VanDerWaalsContact OG1-CD1 3.3Å; T538-I563 WeakPolarHBondContact OG1-CD1 3.22Å; I563-H565 PolarHBondContact O-N 2.83Å
564I89.7Confident81.7Confident36 Ų3655 Ų5519%0.18531%0.31CS..EExtended strand (participates in β ladder)trans-82.1119.8-174.2-56.6158.7000108.9I228 L230 C517 I518 I519I228-I564 HydrophobicContact CD1-CB 4.11Å; I228-I564 HydrophobicContact CD1-CG2 3.46Å; I228-I564 VanDerWaalsContact CD1-CG2 3.46Å; L230-I564 HydrophobicContact CD1-CD1 3.23Å; C517-I564 HydrophobicContact CB-CD1 4.17Å; I518-I564 PolarHBondContact O-N 3.48Å; I519-I564 HydrophobicContact CG1-CD1 4.39Å
565H82.6Confident83.5Confident96 Ų9650.4 Ų50.444%0.44428%0.284SS..PPolyproline II helixtrans-76.1138.9176.3-173.282.8000111.5E534 I563E534-H565 IonicContact OE2-ND1 3.3Å; I563-H565 PolarHBondContact O-N 2.83Å
566H83.1Confident85.1Confident46 Ų4647.5 Ų47.521%0.21326%0.263CS..  trans-134.5141.4171.9-170.9-89.6000109.1E568 P569H566-E568 VanDerWaalsContact C-N 3.31Å; H566-E568 PolarHBondContact ND1-N 3.2Å; H566-E568 VanDerWaalsContact ND1-N 3.18Å; H566-E568 PolarHBondContact ND1-O 3.26Å; H566-E568 PolarHBondContact O-N 3.47Å; H566-P569 WeakPolarHBondContact O-CD 3.37Å
567S80Confident86.7Confident101 Ų10141.5 Ų41.571%0.70622%0.221SC*.SBendtrans-61.1-38.2-175.452.10000113.1P569S567-P569 WeakPolarHBondContact O-CD 3.41Å
568E83.9Confident87.9Confident82 Ų8238.6 Ų38.638%0.38321%0.206SC..  trans-123.373.4-179.7-66.2-179.4156.400110.3L30 H566 G570 D571L30-E568 WeakPolarHBondContact CD2-OE2 2.95Å; H566-E568 VanDerWaalsContact C-N 3.31Å; H566-E568 PolarHBondContact ND1-N 3.2Å; H566-E568 VanDerWaalsContact ND1-N 3.18Å; H566-E568 PolarHBondContact ND1-O 3.26Å; H566-E568 PolarHBondContact O-N 3.47Å; E568-G570 PolarHBondContact O-N 2.73Å; E568-D571 PolarHBondContact O-N 2.99Å
569P85.8Confident89.2Confident10 Ų1037.8 Ų37.87%0.06520%0.202CC..G310 helixtrans-65.5-24.9-174.430.6-38.5000112T521 G522 V525 N530 H566 S567 D571T521-P569 WeakPolarHBondContact CA-O 3.38Å; T521-P569 WeakPolarHBondContact CB-O 3.47Å; T521-P569 PolarHBondContact OG1-O 3Å; G522-P569 PolarHBondContact N-O 3.19Å; G522-P569 VanDerWaalsContact N-O 3.09Å; V525-P569 HydrophobicContact CG2-CB 3.68Å; V525-P569 HydrophobicContact CG2-CG 3.77Å; N530-P569 WeakPolarHBondContact ND2-CG 3.33Å; H566-P569 WeakPolarHBondContact O-CD 3.37Å; S567-P569 WeakPolarHBondContact O-CD 3.41Å; P569-D571 VanDerWaalsContact C-N 3.3Å; P569-D571 PolarHBondContact O-N 2.99Å
570G87.3Confident90.1Very high4 Ų437.6 Ų37.64%0.04120%0.2CC..G310 helixtrans-71.4-18.7179.100000115.1R22 G522 E568R22-G570 PolarHBondContact NH1-O 3.05Å; G522-G570 WeakPolarHBondContact O-CA 3.43Å; E568-G570 PolarHBondContact O-N 2.73Å
571D91Very high90.2Very high2 Ų234 Ų341%0.01118%0.177CC..G310 helixtrans-115.68.1-175.8-67.5-20.9000113.5P31 R33 E568 P569 S573 W574 S575P31-D571 VanDerWaalsContact CD-CG 3.44Å; P31-D571 WeakPolarHBondContact CD-OD2 3.1Å; P31-D571 WeakPolarHBondContact CG-OD1 3.05Å; R33-D571 IonicContact CZ-OD1 3.11Å; R33-D571 IonicContact CZ-OD2 2.92Å; R33-D571 VanDerWaalsContact CZ-OD2 3.32Å; R33-D571 IonicContact NE-OD1 3.75Å; R33-D571 PolarHBondContact NE-OD1 3.04Å; R33-D571 IonicContact NH1-OD2 3.18Å; R33-D571 IonicContact NH2-OD1 2.7Å; R33-D571 PolarHBondContact NH2-OD1 3.32Å; R33-D571 IonicContact NH2-OD2 2.97Å; R33-D571 PolarHBondContact NH2-OD2 3.37Å; E568-D571 PolarHBondContact O-N 2.99Å; P569-D571 VanDerWaalsContact C-N 3.3Å; P569-D571 PolarHBondContact O-N 2.99Å; D571-S573 VanDerWaalsContact C-N 3.3Å; D571-S573 PolarHBondContact O-N 3.02Å; D571-W574 HydrophobicContact CB-CB 4.41Å; D571-W574 WeakPolarHBondContact O-CA 3.09Å; D571-W574 VanDerWaalsContact O-CB 3.29Å; D571-W574 WeakPolarHBondContact O-CB 3.34Å; D571-W574 PolarHBondContact O-N 3.38Å; D571-S575 PolarHBondContact O-N 2.97Å; D571-S575 PolarHBondContact O-OG 2.73Å
572L92.6Very high89.9Confident0 Ų037.5 Ų37.50%020%0.199CC..Hα-helixtrans-61.4-39.8-174.1-166.661.3000112.5A224 I228 I519 W574 S575 G576A224-L572 HydrophobicContact CB-CB 4.38Å; A224-L572 HydrophobicContact CB-CD2 4.05Å; A224-L572 HydrophobicContact CB-CG 4.07Å; A224-L572 WeakPolarHBondContact O-CG 3.29Å; I228-L572 HydrophobicContact CB-CD1 4.21Å; I228-L572 HydrophobicContact CB-CD2 4.37Å; I519-L572 HydrophobicContact CG2-CD2 3.51Å; L572-W574 VanDerWaalsContact C-N 3.33Å; L572-W574 PolarHBondContact O-N 2.97Å; L572-S575 PolarHBondContact O-N 3.02Å; L572-G576 PolarHBondContact O-N 3.39Å
573S95.4Very high89.5Confident1 Ų133.8 Ų33.81%0.00719%0.185CC..Hα-helixtrans-64.2-36.3173.252.80000112.6E15 R22 C223 D571 A577E15-S573 WeakPolarHBondContact OE1-CB 3.5Å; E15-S573 PolarHBondContact OE1-OG 2.81Å; E15-S573 PolarHBondContact OE2-OG 2.93Å; R22-S573 PolarHBondContact NH1-OG 3.45Å; C223-S573 VanDerWaalsContact CB-O 3.29Å; C223-S573 WeakPolarHBondContact CB-O 3.39Å; D571-S573 VanDerWaalsContact C-N 3.3Å; D571-S573 PolarHBondContact O-N 3.02Å; S573-A577 VanDerWaalsContact O-CB 3.32Å; S573-A577 WeakPolarHBondContact O-CB 3.39Å; S573-A577 PolarHBondContact O-N 3.45Å
574W95.1Very high89.2Confident0 Ų039.1 Ų39.10%021%0.213CC..Hα-helixtrans-65.5-50.4174.1168.8-91000111.4I13 I29 P31 D571 L572 G576 A577 R578I13-W574 HydrophobicContact CB-CE3 3.81Å; I13-W574 HydrophobicContact CB-CH2 3.9Å; I13-W574 HydrophobicContact CB-CZ3 3.38Å; I13-W574 HydrophobicContact CD1-CD2 4.45Å; I13-W574 HydrophobicContact CD1-CE3 4.33Å; I13-W574 HydrophobicContact CD1-CH2 4.39Å; I13-W574 HydrophobicContact CD1-CZ2 4.49Å; I13-W574 HydrophobicContact CD1-CZ3 4.36Å; I13-W574 HydrophobicContact CG1-CZ3 4.43Å; I13-W574 HydrophobicContact CG2-CE3 3.54Å; I13-W574 HydrophobicContact CG2-CZ3 3.61Å; I29-W574 PolarHBondContact O-NE1 3.39Å; I29-W574 VanDerWaalsContact O-NE1 3.08Å; P31-W574 HydrophobicContact CB-CD2 3.61Å; P31-W574 HydrophobicContact CB-CE3 3.57Å; P31-W574 HydrophobicContact CB-CG 4.1Å; P31-W574 HydrophobicContact CB-CH2 4.2Å; P31-W574 HydrophobicContact CB-CZ2 4.27Å; P31-W574 HydrophobicContact CB-CZ3 3.83Å; P31-W574 HydrophobicContact CG-CB 4.26Å; P31-W574 HydrophobicContact CG-CD2 4.05Å; P31-W574 HydrophobicContact CG-CE3 4.37Å; P31-W574 HydrophobicContact CG-CG 3.99Å; D571-W574 HydrophobicContact CB-CB 4.41Å; D571-W574 WeakPolarHBondContact O-CA 3.09Å; D571-W574 VanDerWaalsContact O-CB 3.29Å; D571-W574 WeakPolarHBondContact O-CB 3.34Å; D571-W574 PolarHBondContact O-N 3.38Å; L572-W574 VanDerWaalsContact C-N 3.33Å; L572-W574 PolarHBondContact O-N 2.97Å; W574-G576 VanDerWaalsContact C-N 3.29Å; W574-G576 PolarHBondContact O-N 3.23Å; W574-A577 PolarHBondContact O-N 2.98Å; W574-A577 VanDerWaalsContact O-N 3.16Å; W574-R578 WeakPolarHBondContact O-CG 3.37Å; W574-R578 PolarHBondContact O-N 2.96Å
575S94.2Very high88.7Confident24 Ų2443 Ų4317%0.16823%0.234CC..Hα-helixtrans-57.6-42.9178.1-68.40000111.5D571 L572 R578 L579D571-S575 PolarHBondContact O-N 2.97Å; D571-S575 PolarHBondContact O-OG 2.73Å; L572-S575 PolarHBondContact O-N 3.02Å; S575-R578 WeakPolarHBondContact O-CB 3.49Å; S575-R578 PolarHBondContact O-N 3.13Å; S575-L579 WeakPolarHBondContact O-CG 3.33Å; S575-L579 PolarHBondContact O-N 3.05Å
576G95.1Very high88.9Confident0 Ų038.8 Ų38.80%021%0.214CC..Hα-helixtrans-69.3-38.2175.100000114.6C223 L572 W574 R578 L579 L580C223-G576 VanDerWaalsContact O-CA 3.24Å; C223-G576 WeakPolarHBondContact O-CA 3.39Å; L572-G576 PolarHBondContact O-N 3.39Å; W574-G576 VanDerWaalsContact C-N 3.29Å; W574-G576 PolarHBondContact O-N 3.23Å; G576-R578 PolarHBondContact O-N 3.28Å; G576-L579 PolarHBondContact O-N 3.09Å; G576-L579 VanDerWaalsContact O-N 3.09Å; G576-L580 WeakPolarHBondContact O-CG 3.48Å; G576-L580 PolarHBondContact O-N 3.01Å
577A95.3Very high89.1Confident0 Ų040.5 Ų40.50%023%0.225CC..Hα-helixtrans-60.2-33.7173.300000112.1I13 I187 V189 S573 W574I13-A577 HydrophobicContact CD1-CB 4.06Å; I13-A577 HydrophobicContact CG2-CB 4.14Å; I187-A577 HydrophobicContact CG2-CB 4.41Å; V189-A577 HydrophobicContact CG2-CB 3.84Å; S573-A577 VanDerWaalsContact O-CB 3.32Å; S573-A577 WeakPolarHBondContact O-CB 3.39Å; S573-A577 PolarHBondContact O-N 3.45Å; W574-A577 PolarHBondContact O-N 2.98Å; W574-A577 VanDerWaalsContact O-N 3.16Å
578R93.9Very high89.6Confident62 Ų6242 Ų4223%0.23423%0.226CC..Hα-helixtrans-68.6-45.9171.2-66.8173.461.6-142.28.3111.8I13 A26 V27 E28 I29 W574 S575 G576 L580 L581I13-R578 HydrophobicContact CD1-CB 4.36Å; I13-R578 HydrophobicContact CD1-CG 3.36Å; A26-R578 HydrophobicContact CB-CG 4.45Å; A26-R578 PolarHBondContact O-NE 2.78Å; V27-R578 PolarHBondContact O-NH2 3.43Å; E28-R578 WeakPolarHBondContact O-CD 3.5Å; E28-R578 PolarHBondContact O-NE 3.45Å; E28-R578 PolarHBondContact O-NH2 2.86Å; I29-R578 PolarHBondContact O-NH1 3.33Å; W574-R578 WeakPolarHBondContact O-CG 3.37Å; W574-R578 PolarHBondContact O-N 2.96Å; S575-R578 WeakPolarHBondContact O-CB 3.49Å; S575-R578 PolarHBondContact O-N 3.13Å; G576-R578 PolarHBondContact O-N 3.28Å; R578-L580 VanDerWaalsContact C-N 3.26Å; R578-L580 PolarHBondContact O-N 3.12Å; R578-L581 WeakPolarHBondContact O-CB 3.42Å; R578-L581 PolarHBondContact O-N 3.11Å; R578-L581 VanDerWaalsContact O-N 3.15Å
579L92.3Very high90.1Very high82 Ų8239.9 Ų39.943%0.42922%0.216SC..Hα-helixtrans-63.3-31.4178.9-71.1173.8000112.5Y226 S575 G576 L581 T582Y226-L579 WeakPolarHBondContact O-CD1 3.38Å; S575-L579 WeakPolarHBondContact O-CG 3.33Å; S575-L579 PolarHBondContact O-N 3.05Å; G576-L579 PolarHBondContact O-N 3.09Å; G576-L579 VanDerWaalsContact O-N 3.09Å; L579-L581 PolarHBondContact O-N 3.48Å; L579-L581 VanDerWaalsContact O-N 3.16Å; L579-T582 WeakPolarHBondContact O-CB 3.32Å; L579-T582 PolarHBondContact O-N 3.35Å; L579-T582 PolarHBondContact O-OG1 3.36Å
580L89.9Confident90.6Very high8 Ų839.7 Ų39.74%0.04221%0.214CC..G310 helixtrans-57.2-28174.3-78.4174.8000113.5F216 H218 Y226 G576 R578 T582 S583F216-L580 HydrophobicContact CE1-CD1 4.38Å; H218-L580 HydrophobicContact CB-CD1 4.43Å; H218-L580 WeakPolarHBondContact CD2-CD1 3.29Å; Y226-L580 HydrophobicContact CD1-CD2 4.04Å; Y226-L580 HydrophobicContact CD2-CD1 4.48Å; Y226-L580 HydrophobicContact CD2-CD2 3.58Å; Y226-L580 HydrophobicContact CD2-CG 4.1Å; Y226-L580 HydrophobicContact CE1-CD2 3.95Å; Y226-L580 HydrophobicContact CE2-CD2 3.49Å; Y226-L580 VanDerWaalsContact CE2-CD2 3.49Å; Y226-L580 HydrophobicContact CE2-CG 4.47Å; Y226-L580 HydrophobicContact CG-CD2 3.88Å; Y226-L580 HydrophobicContact CG-CG 4.26Å; G576-L580 WeakPolarHBondContact O-CG 3.48Å; G576-L580 PolarHBondContact O-N 3.01Å; R578-L580 VanDerWaalsContact C-N 3.26Å; R578-L580 PolarHBondContact O-N 3.12Å; L580-T582 PolarHBondContact O-N 3.39Å; L580-S583 WeakPolarHBondContact O-CB 3.47Å; L580-S583 PolarHBondContact O-N 3.5Å
581L89.3Confident91.1Very high22 Ų2239.6 Ų39.612%0.11521%0.213CC..G310 helixtrans-65.9-16.6174.6-68.4168.8000113.3A8 V11 A26 I187 R578 L579 I586 W590A8-L581 HydrophobicContact CB-CD1 4.38Å; V11-L581 HydrophobicContact CB-CD1 4.12Å; V11-L581 HydrophobicContact CB-CD2 4.42Å; V11-L581 HydrophobicContact CG1-CD1 4.08Å; V11-L581 HydrophobicContact CG1-CD2 4.2Å; V11-L581 HydrophobicContact CG2-CD1 4.28Å; V11-L581 HydrophobicContact CG2-CD2 3.85Å; A26-L581 HydrophobicContact CB-CD1 3.39Å; I187-L581 HydrophobicContact CD1-CD1 4.4Å; I187-L581 HydrophobicContact CD1-CD2 3.94Å; I187-L581 HydrophobicContact CD1-CG 4.02Å; R578-L581 WeakPolarHBondContact O-CB 3.42Å; R578-L581 PolarHBondContact O-N 3.11Å; R578-L581 VanDerWaalsContact O-N 3.15Å; L579-L581 PolarHBondContact O-N 3.48Å; L579-L581 VanDerWaalsContact O-N 3.16Å; L581-I586 HydrophobicContact CD2-CD1 4.11Å; L581-W590 HydrophobicContact CD2-CH2 4.43Å; L581-W590 HydrophobicContact CD2-CZ2 4.01Å
582T86.7Confident91.4Very high92 Ų9240.4 Ų40.456%0.56422%0.218SC*.G310 helixtrans-84.4-14.8174.972.50000112.6L579 L580L579-T582 WeakPolarHBondContact O-CB 3.32Å; L579-T582 PolarHBondContact O-N 3.35Å; L579-T582 PolarHBondContact O-OG1 3.36Å; L580-T582 PolarHBondContact O-N 3.39Å
583S85Confident91.7Very high31 Ų3142.2 Ų42.222%0.21723%0.23CC..SBendtrans-81136.8177.3-1790000111.1L580 L585 I586L580-S583 WeakPolarHBondContact O-CB 3.47Å; L580-S583 PolarHBondContact O-N 3.5Å; S583-L585 PolarHBondContact O-N 3.32Å; S583-L585 WeakPolarHBondContact OG-CB 3.43Å; S583-L585 PolarHBondContact OG-N 3.15Å; S583-I586 WeakPolarHBondContact O-CG2 3.47Å
584D84.1Confident91.8Very high122 Ų12245.7 Ų45.765%0.65226%0.258SS*.G310 helixtrans-68.2-21.9175.3-68.1-37.6000112.4I586 N587D584-I586 PolarHBondContact O-N 2.99Å; D584-N587 PolarHBondContact O-N 3.3Å; D584-N587 PolarHBondContact O-ND2 2.73Å
585L80.3Confident91.8Very high118 Ų11848.2 Ų48.262%0.61827%0.27SS*.G310 helixtrans-58.6-32.9-179.1-66171.6000112.7S583 N587 L589S583-L585 PolarHBondContact O-N 3.32Å; S583-L585 WeakPolarHBondContact OG-CB 3.43Å; S583-L585 PolarHBondContact OG-N 3.15Å; L585-N587 PolarHBondContact O-N 2.68Å; L585-L589 WeakPolarHBondContact O-CD1 3.31Å; L585-L589 VanDerWaalsContact O-CG 3.31Å; L585-L589 WeakPolarHBondContact O-CG 3.12Å
586I86.8Confident91.9Very high7 Ų747.8 Ų47.84%0.03627%0.265CS..G310 helixtrans-70.4-20.6-174.5-160.2167.1000112.9I187 F216 L581 S583 D584 D588 L589 W590I187-I586 HydrophobicContact CD1-CD1 4.26Å; F216-I586 HydrophobicContact CD1-CD1 3.48Å; F216-I586 VanDerWaalsContact CD1-CD1 3.48Å; F216-I586 HydrophobicContact CD1-CG1 3.87Å; F216-I586 HydrophobicContact CD2-CG1 4.11Å; F216-I586 HydrophobicContact CE1-CD1 3.57Å; F216-I586 HydrophobicContact CE1-CG1 3.88Å; F216-I586 HydrophobicContact CE2-CG1 4.15Å; F216-I586 HydrophobicContact CG-CD1 4.02Å; F216-I586 HydrophobicContact CG-CG1 3.96Å; F216-I586 HydrophobicContact CZ-CD1 4.19Å; F216-I586 HydrophobicContact CZ-CG1 4Å; L581-I586 HydrophobicContact CD2-CD1 4.11Å; S583-I586 WeakPolarHBondContact O-CG2 3.47Å; D584-I586 PolarHBondContact O-N 2.99Å; I586-D588 VanDerWaalsContact C-N 3.3Å; I586-D588 PolarHBondContact O-N 3.38Å; I586-L589 PolarHBondContact O-N 2.65Å; I586-W590 HydrophobicContact CD1-CH2 4.38Å; I586-W590 HydrophobicContact CD1-CZ2 3.8Å; I586-W590 HydrophobicContact CG1-CZ2 4Å; I586-W590 PolarHBondContact O-NE1 2.73Å; I586-W590 VanDerWaalsContact O-NE1 3.11Å
587N87.3Confident92Very high83 Ų8352.8 Ų52.844%0.44429%0.292SS..G310 helixtrans-63.7-33.8-171.9-70.8-46.1000113.2D584 L585D584-N587 PolarHBondContact O-N 3.3Å; D584-N587 PolarHBondContact O-ND2 2.73Å; L585-N587 PolarHBondContact O-N 2.68Å
588D90.2Very high91.9Very high133 Ų13360.2 Ų60.271%0.71132%0.324SS*.THydrogen-bonded Turntrans-90.7-12.6-179.1-63.6-34.2000113.2I586I586-D588 VanDerWaalsContact C-N 3.3Å; I586-D588 PolarHBondContact O-N 3.38Å
589L94.5Very high91.8Very high36 Ų3661.1 Ų61.119%0.18833%0.33CS..  trans-94.3-1.6-171.3-56.8177.7000113.7F216 L585 I586 I591 K607 P609F216-L589 HydrophobicContact CD2-CB 3.68Å; F216-L589 HydrophobicContact CE2-CB 3.5Å; F216-L589 HydrophobicContact CE2-CD1 3.71Å; F216-L589 HydrophobicContact CE2-CG 4.26Å; F216-L589 HydrophobicContact CZ-CD1 4.3Å; L585-L589 WeakPolarHBondContact O-CD1 3.31Å; L585-L589 VanDerWaalsContact O-CG 3.31Å; L585-L589 WeakPolarHBondContact O-CG 3.12Å; I586-L589 PolarHBondContact O-N 2.65Å; L589-I591 PolarHBondContact O-N 2.77Å; L589-K607 WeakPolarHBondContact CB-O 3.29Å; L589-K607 WeakPolarHBondContact CD2-O 3.44Å; L589-P609 HydrophobicContact CD1-CB 4Å; L589-P609 HydrophobicContact CD1-CG 4.46Å
590W96.3Very high91.7Very high6 Ų658.2 Ų58.22%0.02332%0.32CS..PPolyproline II helixtrans-71.9123.9175.5-66.999.8000112V11 R185 I187 R214 F216 L581 I586 K607V11-W590 HydrophobicContact CG1-CH2 4.3Å; V11-W590 HydrophobicContact CG2-CH2 4.31Å; R185-W590 HydrophobicContact CB-CE3 4Å; R185-W590 HydrophobicContact CB-CH2 3.78Å; R185-W590 HydrophobicContact CB-CZ3 3.49Å; R185-W590 VanDerWaalsContact CB-CZ3 3.49Å; R185-W590 HydrophobicContact CG-CZ3 4.42Å; I187-W590 HydrophobicContact CD1-CH2 4.38Å; I187-W590 HydrophobicContact CG1-CH2 3.77Å; I187-W590 HydrophobicContact CG1-CZ3 4.31Å; R214-W590 HydrophobicContact CB-CB 4.13Å; R214-W590 HydrophobicContact CB-CD2 4.32Å; R214-W590 HydrophobicContact CB-CE3 3.82Å; R214-W590 HydrophobicContact CB-CG 4.48Å; R214-W590 HydrophobicContact CG-CB 4.42Å; F216-W590 HydrophobicContact CB-CD2 4.13Å; F216-W590 HydrophobicContact CB-CE3 3.58Å; F216-W590 HydrophobicContact CB-CH2 4.01Å; F216-W590 HydrophobicContact CB-CZ3 3.5Å; L581-W590 HydrophobicContact CD2-CH2 4.43Å; L581-W590 HydrophobicContact CD2-CZ2 4.01Å; I586-W590 HydrophobicContact CD1-CH2 4.38Å; I586-W590 HydrophobicContact CD1-CZ2 3.8Å; I586-W590 HydrophobicContact CG1-CZ2 4Å; I586-W590 PolarHBondContact O-NE1 2.73Å; I586-W590 VanDerWaalsContact O-NE1 3.11Å; W590-K607 PolarHBondContact O-NZ 2.82Å
591I97.7Very high91.6Very high2 Ų258.5 Ų58.51%0.0132%0.322CS..BIsolated β-bridgetrans-88.6128.4173.3-57.2169.6000109.4L207 R214 V215 L589 W596 A603 L604 K607L207-I591 HydrophobicContact CD1-CG2 3.82Å; R214-I591 CarbonylContact C-O 3.45Å; R214-I591 VanDerWaalsContact CA-O 3.23Å; R214-I591 WeakPolarHBondContact CA-O 3.43Å; V215-I591 PolarHBondContact N-O 3.24Å; V215-I591 PolarHBondContact O-N 3.02Å; L589-I591 PolarHBondContact O-N 2.77Å; I591-W596 HydrophobicContact CG2-CB 4.15Å; I591-W596 HydrophobicContact CG2-CE3 4.37Å; I591-A603 HydrophobicContact CD1-CB 4.38Å; I591-A603 HydrophobicContact CG1-CB 4.43Å; I591-A603 HydrophobicContact CG2-CB 4.07Å; I591-L604 HydrophobicContact CD1-CD2 3.64Å; I591-L604 HydrophobicContact CD1-CG 4.05Å; I591-K607 HydrophobicContact CG1-CB 4.1Å; I591-K607 HydrophobicContact CG1-CD 3.99Å
592T97.7Very high91.6Very high20 Ų2062.4 Ų62.412%0.12334%0.336CS..PPolyproline II helixtrans-94.4159.4174.461.60000112.2R214 A594 E595 W596R214-T592 HydrophobicContact CG-CG2 4.23Å; T592-A594 PolarHBondContact O-N 3.44Å; T592-E595 PolarHBondContact N-OE2 2.89Å; T592-E595 PolarHBondContact O-N 2.81Å; T592-E595 WeakPolarHBondContact OG1-CB 3.48Å; T592-E595 VanDerWaalsContact OG1-CD 3.23Å; T592-E595 WeakPolarHBondContact OG1-CG 3.25Å; T592-E595 PolarHBondContact OG1-N 2.88Å; T592-E595 VanDerWaalsContact OG1-N 3.13Å; T592-E595 PolarHBondContact OG1-OE2 2.8Å; T592-W596 WeakPolarHBondContact O-CB 3.46Å; T592-W596 PolarHBondContact O-N 3.33Å
593P97.9Very high91.9Very high38 Ų3858.2 Ų58.225%0.24731%0.31CS..Hα-helixtrans-57.7-36.1171.9-25.233.3000113L207 G213 W596 N597L207-P593 HydrophobicContact CB-CG 4.42Å; L207-P593 HydrophobicContact CD2-CG 3.97Å; G213-P593 WeakPolarHBondContact O-CD 3.36Å; P593-W596 PolarHBondContact O-N 3.06Å; P593-N597 VanDerWaalsContact O-CB 3.31Å; P593-N597 WeakPolarHBondContact O-CB 3.09Å; P593-N597 PolarHBondContact O-N 2.82Å; P593-N597 PolarHBondContact O-ND2 2.95Å
594A97.5Very high92.2Very high73 Ų7356.8 Ų56.860%0.60330%0.3SS*.Hα-helixtrans-66.8-44.2178.500000112.1T592 K598T592-A594 PolarHBondContact O-N 3.44Å; A594-K598 VanDerWaalsContact O-CB 3.29Å; A594-K598 WeakPolarHBondContact O-CB 3.34Å; A594-K598 PolarHBondContact O-N 3.4Å; A594-K598 VanDerWaalsContact O-N 3.13Å
595E96.7Very high92.5Very high54 Ų5456.2 Ų56.225%0.25229%0.289SS..Hα-helixtrans-64.3-45.1174.5-71.7162.9154.100111.1T592 N597 K598 F599 K607T592-E595 PolarHBondContact N-OE2 2.89Å; T592-E595 PolarHBondContact O-N 2.81Å; T592-E595 WeakPolarHBondContact OG1-CB 3.48Å; T592-E595 VanDerWaalsContact OG1-CD 3.23Å; T592-E595 WeakPolarHBondContact OG1-CG 3.25Å; T592-E595 PolarHBondContact OG1-N 2.88Å; T592-E595 VanDerWaalsContact OG1-N 3.13Å; T592-E595 PolarHBondContact OG1-OE2 2.8Å; E595-N597 PolarHBondContact O-N 3.44Å; E595-K598 PolarHBondContact O-N 2.81Å; E595-F599 HydrophobicContact CB-CD2 4.32Å; E595-F599 WeakPolarHBondContact O-CB 3.48Å; E595-F599 WeakPolarHBondContact O-CD2 3.43Å; E595-F599 PolarHBondContact O-N 2.67Å; E595-K607 IonicContact OE1-NZ 3.78Å; E595-K607 PolarHBondContact OE1-NZ 3.16Å; E595-K607 IonicContact OE2-NZ 3.09Å; E595-K607 PolarHBondContact OE2-NZ 2.93Å
596W96.5Very high93Very high14 Ų1455.7 Ų55.75%0.05328%0.283CS..Hα-helixtrans-61.6-44.5178.8-177.5-102.7000112.5R200 V203 H204 L207 I591 T592 P593 K598 G600 A603 L604R200-W596 HydrophobicContact CB-CH2 4.18Å; R200-W596 HydrophobicContact CG-CH2 3.75Å; R200-W596 HydrophobicContact CG-CZ2 3.76Å; R200-W596 WeakPolarHBondContact O-CZ2 3.37Å; V203-W596 HydrophobicContact CB-CH2 4.01Å; V203-W596 HydrophobicContact CB-CZ2 4.24Å; V203-W596 HydrophobicContact CB-CZ3 4.23Å; V203-W596 HydrophobicContact CG1-CD2 3.89Å; V203-W596 HydrophobicContact CG1-CE3 3.65Å; V203-W596 HydrophobicContact CG1-CH2 3.88Å; V203-W596 HydrophobicContact CG1-CZ2 4.12Å; V203-W596 HydrophobicContact CG1-CZ3 3.66Å; H204-W596 HydrophobicContact CB-CZ2 4.06Å; H204-W596 AromaticContact CG-NE1 3.94Å; H204-W596 AromaticContact ND1-NE1 3.46Å; H204-W596 PolarHBondContact ND1-NE1 3.18Å; L207-W596 HydrophobicContact CD1-CB 3.53Å; L207-W596 HydrophobicContact CD1-CD2 4.24Å; L207-W596 HydrophobicContact CD1-CG 3.75Å; I591-W596 HydrophobicContact CG2-CB 4.15Å; I591-W596 HydrophobicContact CG2-CE3 4.37Å; T592-W596 WeakPolarHBondContact O-CB 3.46Å; T592-W596 PolarHBondContact O-N 3.33Å; P593-W596 PolarHBondContact O-N 3.06Å; W596-K598 PolarHBondContact O-N 3.09Å; W596-G600 VanDerWaalsContact CE3-O 3.3Å; W596-G600 VanDerWaalsContact CZ3-O 3.27Å; W596-G600 WeakPolarHBondContact CZ3-O 3.41Å; W596-G600 WeakPolarHBondContact O-CA 3.46Å; W596-G600 PolarHBondContact O-N 3.45Å; W596-A603 HydrophobicContact CE3-CB 4.44Å; W596-L604 HydrophobicContact CH2-CD1 3.86Å; W596-L604 HydrophobicContact CZ3-CD1 3.67Å; W596-L604 HydrophobicContact CZ3-CG 3.99Å
597N95.5Very high93.3Very high105 Ų10557 Ų5756%0.56129%0.289SS*.Hα-helixtrans-67.5-26.8177.8-70.7-29.2000112.9N208 P593 E595N208-N597 PolarHBondContact ND2-OD1 3.26Å; P593-N597 VanDerWaalsContact O-CB 3.31Å; P593-N597 WeakPolarHBondContact O-CB 3.09Å; P593-N597 PolarHBondContact O-N 2.82Å; P593-N597 PolarHBondContact O-ND2 2.95Å; E595-N597 PolarHBondContact O-N 3.44Å
598K94.5Very high93.6Very high157 Ų15753.9 Ų53.968%0.68327%0.274SS*.Hα-helixtrans-86-41.6-179.5-175.7175.5176.2-176.70112.9A594 E595 W596A594-K598 VanDerWaalsContact O-CB 3.29Å; A594-K598 WeakPolarHBondContact O-CB 3.34Å; A594-K598 PolarHBondContact O-N 3.4Å; A594-K598 VanDerWaalsContact O-N 3.13Å; E595-K598 PolarHBondContact O-N 2.81Å; W596-K598 PolarHBondContact O-N 3.09Å
599F91.1Very high93.6Very high80 Ų8049.7 Ų49.735%0.35125%0.254SS..Hα-helixtrans-115.3-16.1-169.4-57.7-64.3000113.7E595 S601 R602E595-F599 HydrophobicContact CB-CD2 4.32Å; E595-F599 WeakPolarHBondContact O-CB 3.48Å; E595-F599 WeakPolarHBondContact O-CD2 3.43Å; E595-F599 PolarHBondContact O-N 2.67Å; F599-S601 PolarHBondContact O-N 3.02Å; F599-R602 HydrophobicContact CB-CB 4.27Å; F599-R602 WeakPolarHBondContact O-CB 3.35Å; F599-R602 PolarHBondContact O-N 3.02Å
600G89.8Confident93.4Very high22 Ų2248.5 Ų48.523%0.22725%0.248CC..THydrogen-bonded Turntrans55.8-134.2-177.200000112.4W596 R602 A603W596-G600 VanDerWaalsContact CE3-O 3.3Å; W596-G600 VanDerWaalsContact CZ3-O 3.27Å; W596-G600 WeakPolarHBondContact CZ3-O 3.41Å; W596-G600 WeakPolarHBondContact O-CA 3.46Å; W596-G600 PolarHBondContact O-N 3.45Å; G600-R602 PolarHBondContact O-N 3.28Å; G600-R602 VanDerWaalsContact O-N 3.15Å; G600-A603 VanDerWaalsContact O-CB 3.3Å; G600-A603 WeakPolarHBondContact O-CB 3.48Å; G600-A603 PolarHBondContact O-N 3.29Å
601S88.1Confident92.8Very high13 Ų1351.6 Ų51.69%0.09127%0.269CS..THydrogen-bonded Turntrans-58.7-22.7179.7270000114.3D402 F599 A603 L604 R605D402-S601 VanDerWaalsContact O-CB 3.29Å; D402-S601 WeakPolarHBondContact O-CB 3.44Å; D402-S601 PolarHBondContact O-OG 2.83Å; F599-S601 PolarHBondContact O-N 3.02Å; S601-A603 PolarHBondContact O-N 2.8Å; S601-L604 WeakPolarHBondContact O-CB 3.4Å; S601-L604 PolarHBondContact O-N 2.76Å; S601-R605 PolarHBondContact O-N 2.89Å
602R89.1Confident92.2Very high105 Ų10552.2 Ų52.240%0.39627%0.271SS..Hα-helixtrans-59.3-31.9172.5179.8178167.5169.11.4112.2F599 G600 L604 R605 E606F599-R602 HydrophobicContact CB-CB 4.27Å; F599-R602 WeakPolarHBondContact O-CB 3.35Å; F599-R602 PolarHBondContact O-N 3.02Å; G600-R602 PolarHBondContact O-N 3.28Å; G600-R602 VanDerWaalsContact O-N 3.15Å; R602-L604 PolarHBondContact O-N 2.83Å; R602-R605 WeakPolarHBondContact O-CB 3.05Å; R602-R605 PolarHBondContact O-N 2.99Å; R602-R605 VanDerWaalsContact O-N 3.14Å; R602-E606 HydrophobicContact CG-CG 4.49Å; R602-E606 IonicContact CZ-OE1 3.6Å; R602-E606 VanDerWaalsContact CZ-OE1 3.31Å; R602-E606 IonicContact NE-OE1 2.69Å; R602-E606 PolarHBondContact NE-OE1 3.01Å; R602-E606 IonicContact NH2-OE1 3.45Å; R602-E606 PolarHBondContact NH2-OE1 2.88Å; R602-E606 PolarHBondContact O-N 2.82Å; R602-E606 VanDerWaalsContact O-N 3.07Å
603A92.7Very high91.9Very high4 Ų453.8 Ų53.83%0.03328%0.278CS..Hα-helixtrans-61.8-32174.700000112.5I591 W596 G600 S601 K607I591-A603 HydrophobicContact CD1-CB 4.38Å; I591-A603 HydrophobicContact CG1-CB 4.43Å; I591-A603 HydrophobicContact CG2-CB 4.07Å; W596-A603 HydrophobicContact CE3-CB 4.44Å; G600-A603 VanDerWaalsContact O-CB 3.3Å; G600-A603 WeakPolarHBondContact O-CB 3.48Å; G600-A603 PolarHBondContact O-N 3.29Å; S601-A603 PolarHBondContact O-N 2.8Å; A603-K607 VanDerWaalsContact O-CB 3.32Å; A603-K607 WeakPolarHBondContact O-CB 3.43Å; A603-K607 PolarHBondContact O-N 2.81Å
604L92.5Very high91.6Very high1 Ų154.6 Ų54.61%0.00528%0.28CS..Hα-helixtrans-72.2-39.4174.6-71.9160.7000111.3I199 V203 V217 I591 W596 S601 R602 E606 K607 A608 W612I199-L604 HydrophobicContact CG2-CD1 4.46Å; V203-L604 HydrophobicContact CG2-CD1 4.3Å; V203-L604 HydrophobicContact CG2-CD2 4.12Å; V217-L604 HydrophobicContact CB-CD2 4.39Å; V217-L604 HydrophobicContact CG2-CD2 3.85Å; I591-L604 HydrophobicContact CD1-CD2 3.64Å; I591-L604 HydrophobicContact CD1-CG 4.05Å; W596-L604 HydrophobicContact CH2-CD1 3.86Å; W596-L604 HydrophobicContact CZ3-CD1 3.67Å; W596-L604 HydrophobicContact CZ3-CG 3.99Å; S601-L604 WeakPolarHBondContact O-CB 3.4Å; S601-L604 PolarHBondContact O-N 2.76Å; R602-L604 PolarHBondContact O-N 2.83Å; L604-E606 VanDerWaalsContact C-N 3.27Å; L604-E606 PolarHBondContact O-N 2.74Å; L604-K607 PolarHBondContact O-N 2.96Å; L604-A608 WeakPolarHBondContact O-CB 3.46Å; L604-A608 PolarHBondContact O-N 3.08Å; L604-W612 HydrophobicContact CB-CD2 3.78Å; L604-W612 HydrophobicContact CB-CE3 3.94Å; L604-W612 HydrophobicContact CB-CG 4.29Å; L604-W612 HydrophobicContact CB-CH2 4.27Å; L604-W612 HydrophobicContact CB-CZ2 4.17Å; L604-W612 HydrophobicContact CB-CZ3 4.19Å; L604-W612 HydrophobicContact CD1-CH2 3.56Å; L604-W612 HydrophobicContact CD1-CZ2 3.74Å; L604-W612 HydrophobicContact CD1-CZ3 4.08Å; L604-W612 HydrophobicContact CD2-CZ3 4.38Å; L604-W612 HydrophobicContact CG-CH2 4.37Å; L604-W612 HydrophobicContact CG-CZ3 4.45Å
605R89Confident91.2Very high109 Ų10953.6 Ų53.641%0.41126%0.262SS..Hα-helixtrans-59.3-38.4174.5-166.8-175.1-57.6-1626.7112.5D406 S601 R602 W612D406-R605 IonicContact OD1-NH1 3.25Å; D406-R605 IonicContact OD1-NH2 3.47Å; D406-R605 IonicContact OD2-CZ 3.32Å; D406-R605 IonicContact OD2-NH1 3.16Å; D406-R605 IonicContact OD2-NH2 3.5Å; D406-R605 PolarHBondContact OD2-NH2 2.92Å; S601-R605 PolarHBondContact O-N 2.89Å; R602-R605 WeakPolarHBondContact O-CB 3.05Å; R602-R605 PolarHBondContact O-N 2.99Å; R602-R605 VanDerWaalsContact O-N 3.14Å; R605-W612 HydrophobicContact CB-CB 4.38Å; R605-W612 HydrophobicContact CB-CG 4.47Å
606E90.8Very high90.9Very high107 Ų10753.6 Ų53.650%0.526%0.262SS..Hα-helixtrans-85.4-28.1-177.2-68.3178.1179.100113.5R602 L604R602-E606 HydrophobicContact CG-CG 4.49Å; R602-E606 IonicContact CZ-OE1 3.6Å; R602-E606 VanDerWaalsContact CZ-OE1 3.31Å; R602-E606 IonicContact NE-OE1 2.69Å; R602-E606 PolarHBondContact NE-OE1 3.01Å; R602-E606 IonicContact NH2-OE1 3.45Å; R602-E606 PolarHBondContact NH2-OE1 2.88Å; R602-E606 PolarHBondContact O-N 2.82Å; R602-E606 VanDerWaalsContact O-N 3.07Å; L604-E606 VanDerWaalsContact C-N 3.27Å; L604-E606 PolarHBondContact O-N 2.74Å
607K94.4Very high90.6Very high36 Ų3656.1 Ų56.116%0.15728%0.275CS..Hα-helixtrans-118.8-5.3-172.1-62.9-165.1178.5-174.20115.8L589 W590 I591 E595 A603 L604L589-K607 WeakPolarHBondContact CB-O 3.29Å; L589-K607 WeakPolarHBondContact CD2-O 3.44Å; W590-K607 PolarHBondContact O-NZ 2.82Å; I591-K607 HydrophobicContact CG1-CB 4.1Å; I591-K607 HydrophobicContact CG1-CD 3.99Å; E595-K607 IonicContact OE1-NZ 3.78Å; E595-K607 PolarHBondContact OE1-NZ 3.16Å; E595-K607 IonicContact OE2-NZ 3.09Å; E595-K607 PolarHBondContact OE2-NZ 2.93Å; A603-K607 VanDerWaalsContact O-CB 3.32Å; A603-K607 WeakPolarHBondContact O-CB 3.43Å; A603-K607 PolarHBondContact O-N 2.81Å; L604-K607 PolarHBondContact O-N 2.96Å
608A92.4Very high90.2Very high16 Ų1652.8 Ų52.813%0.13226%0.256CS..  trans-73.8131.9170.300000109.5L604 F610L604-A608 WeakPolarHBondContact O-CB 3.46Å; L604-A608 PolarHBondContact O-N 3.08Å; A608-F610 HydrophobicContact CB-CD1 4.22Å; A608-F610 HydrophobicContact CB-CD2 4.35Å; A608-F610 HydrophobicContact CB-CE1 3.94Å; A608-F610 HydrophobicContact CB-CE2 4.1Å; A608-F610 HydrophobicContact CB-CG 4.41Å; A608-F610 HydrophobicContact CB-CZ 3.89Å; A608-F610 PolarHBondContact O-N 3.1Å
609P91.4Very high89.9Confident45 Ų4545.4 Ų45.429%0.29223%0.226SC..SBendtrans-76.714.6178.332.4-35.7000113.3F216 V217 L589F216-P609 HydrophobicContact CE2-CG 4.08Å; F216-P609 HydrophobicContact CZ-CG 3.95Å; V217-P609 WeakPolarHBondContact O-CD 3.46Å; L589-P609 HydrophobicContact CD1-CB 4Å; L589-P609 HydrophobicContact CD1-CG 4.46Å
610F90Very high89.8Confident12 Ų1242.7 Ų42.75%0.05322%0.216CC..SBendtrans-135.3156.8179.552.5-92.8000108.5I190 Y194 V217 Q219 A608 W612I190-F610 HydrophobicContact CD1-CE2 4.4Å; I190-F610 HydrophobicContact CD1-CZ 3.82Å; Y194-F610 HydrophobicContact CE1-CD2 4.36Å; Y194-F610 AromaticContact CE1-CE2 3.98Å; Y194-F610 HydrophobicContact CE1-CE2 3.98Å; Y194-F610 HydrophobicContact CE2-CE2 4.47Å; Y194-F610 AromaticContact CZ-CE2 3.7Å; Y194-F610 WeakPolarHBondContact OH-CD2 3.34Å; Y194-F610 WeakPolarHBondContact OH-CE2 3.49Å; V217-F610 HydrophobicContact CG1-CE1 4.43Å; V217-F610 HydrophobicContact CG1-CZ 4.19Å; Q219-F610 HydrophobicContact CG-CD1 3.87Å; Q219-F610 HydrophobicContact CG-CD2 4.39Å; Q219-F610 HydrophobicContact CG-CE1 4.05Å; Q219-F610 HydrophobicContact CG-CG 4.06Å; Q219-F610 HydrophobicContact CG-CZ 4.37Å; Q219-F610 VanDerWaalsContact NE2-CG 3.28Å; A608-F610 HydrophobicContact CB-CD1 4.22Å; A608-F610 HydrophobicContact CB-CD2 4.35Å; A608-F610 HydrophobicContact CB-CE1 3.94Å; A608-F610 HydrophobicContact CB-CE2 4.1Å; A608-F610 HydrophobicContact CB-CG 4.41Å; A608-F610 HydrophobicContact CB-CZ 3.89Å; A608-F610 PolarHBondContact O-N 3.1Å; F610-W612 AromaticContact CE2-CE3 3.94Å; F610-W612 HydrophobicContact CE2-CE3 3.94Å; F610-W612 HydrophobicContact CE2-CZ3 4.4Å; F610-W612 HydrophobicContact CZ-CE3 4.42Å; F610-W612 PolarHBondContact O-N 3.1Å
611P83.9Confident89.8Confident71 Ų7144.4 Ų44.446%0.46122%0.215SC..  trans-56.1105.1175.4-2333.2000109.1Y194Y194-P611 PolarHBondContact OH-O 2.95Å
612W83.8Confident90Very high14 Ų1447.3 Ų47.35%0.05323%0.227CC..  trans-58.10-176.3172.1-110.5000108.5Y194 R196 I199 S395 D402 L604 R605 F610Y194-W612 HydrophobicContact CE2-CE3 4.26Å; Y194-W612 HydrophobicContact CE2-CZ3 4.03Å; Y194-W612 PolarHBondContact OH-OXT 2.95Å; R196-W612 HydrophobicContact CB-CH2 4.45Å; R196-W612 HydrophobicContact CB-CZ2 3.88Å; R196-W612 HydrophobicContact CG-CZ2 4.15Å; R196-W612 VanDerWaalsContact CZ-C 3.41Å; R196-W612 VanDerWaalsContact NH1-CD1 3.28Å; R196-W612 PolarHBondContact NH1-O 2.93Å; R196-W612 PolarHBondContact NH1-OXT 3.47Å; R196-W612 PolarHBondContact NH2-O 3.28Å; R196-W612 PolarHBondContact NH2-OXT 3.25Å; I199-W612 HydrophobicContact CB-CH2 3.69Å; I199-W612 HydrophobicContact CB-CZ3 4.14Å; I199-W612 HydrophobicContact CG1-CH2 4.46Å; I199-W612 HydrophobicContact CG2-CH2 3.6Å; I199-W612 HydrophobicContact CG2-CZ3 3.71Å; S395-W612 PolarHBondContact OG-O 3.42Å; D402-W612 PolarHBondContact OD1-NE1 3.11Å; L604-W612 HydrophobicContact CB-CD2 3.78Å; L604-W612 HydrophobicContact CB-CE3 3.94Å; L604-W612 HydrophobicContact CB-CG 4.29Å; L604-W612 HydrophobicContact CB-CH2 4.27Å; L604-W612 HydrophobicContact CB-CZ2 4.17Å; L604-W612 HydrophobicContact CB-CZ3 4.19Å; L604-W612 HydrophobicContact CD1-CH2 3.56Å; L604-W612 HydrophobicContact CD1-CZ2 3.74Å; L604-W612 HydrophobicContact CD1-CZ3 4.08Å; L604-W612 HydrophobicContact CD2-CZ3 4.38Å; L604-W612 HydrophobicContact CG-CH2 4.37Å; L604-W612 HydrophobicContact CG-CZ3 4.45Å; R605-W612 HydrophobicContact CB-CB 4.38Å; R605-W612 HydrophobicContact CB-CG 4.47Å; F610-W612 AromaticContact CE2-CE3 3.94Å; F610-W612 HydrophobicContact CE2-CE3 3.94Å; F610-W612 HydrophobicContact CE2-CZ3 4.4Å; F610-W612 HydrophobicContact CZ-CE3 4.42Å; F610-W612 PolarHBondContact O-N 3.1Å

Retrieved 612 of 612 residues in 156 ms (Link to these results)

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