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DNA replication complex GINS protein PSF3

Required for correct functioning of the GINS complex, a complex that plays an essential role in the initiation of DNA replication, and progression of DNA replication forks. GINS complex is a core component of CDC45-MCM-GINS (CMG) helicase, the molecular machine that unwinds template DNA during replication, and around which the replisome is built. The GINS complex plays an essential role in the initiation of DNA replication.

AlphaFold DB , UniProt , Accession A0A060X294, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene gins3, Length 211 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
1M38.7Very low62.3Low235 Ų235129.3 Ų129.3100%1.15868%0.679SS**  094.10-80.1176.2164.400106.8T3M1-T3 PolarHBondContact O-N 3.38Å
2E48.3Very low63.5Low182 Ų182122.3 Ų122.385%0.8566%0.662SS**  trans-77.695.2177.7-72.1178.6164.600108.8H4E2-H4 PolarHBondContact O-N 3.29Å
3T51.2Low64.4Low125 Ų125117.8 Ų117.877%0.76764%0.64SS**  trans-89.590.4160.547.70000107.1M1 S5M1-T3 PolarHBondContact O-N 3.38Å; T3-S5 PolarHBondContact O-N 3.07Å
4H56.1Low65.7Low174 Ų174111.4 Ų111.481%0.80662%0.616SS**  trans-58.3107.6159.4-93.6-73.8000107.5E2E2-H4 PolarHBondContact O-N 3.29Å
5S64.3Low67.1Low99 Ų99109.8 Ų109.869%0.69260%0.604SS**  trans-62.1142.5-176.6340000112.5T3T3-S5 PolarHBondContact O-N 3.07Å
6Y60.6Low68.6Low191 Ų191112.4 Ų112.475%0.74961%0.61SS**  trans-21.9130.5-176.5-176.4-108.7000118P8Y6-P8 HydrophobicContact CD1-CG 4.46Å; Y6-P8 HydrophobicContact CD2-CG 4.03Å; Y6-P8 HydrophobicContact CE1-CG 3.89Å; Y6-P8 HydrophobicContact CE2-CG 3.34Å; Y6-P8 WeakPolarHBondContact OH-CG 3.25Å
7I72.8Confident69.9Low159 Ų159109.5 Ų109.582%0.81559%0.591SS**  trans-134.892.1172.5-50.3171.3000110.3
8P71.9Confident71.1Confident48 Ų48105.5 Ų105.531%0.31257%0.57SS.*  trans-144.7118.6144.713.710.4000111.5Y6Y6-P8 HydrophobicContact CD1-CG 4.46Å; Y6-P8 HydrophobicContact CD2-CG 4.03Å; Y6-P8 HydrophobicContact CE1-CG 3.89Å; Y6-P8 HydrophobicContact CE2-CG 3.34Å; Y6-P8 WeakPolarHBondContact OH-CG 3.25Å
9V72Confident72.1Confident84 Ų84109.3 Ų109.351%0.50958%0.581SS.*  trans-13888.6152.7-173.50000109.3N18 L20V9-N18 HydrophobicContact CG1-CB 4.2Å; V9-L20 HydrophobicContact CG1-CB 4.01Å; V9-L20 HydrophobicContact CG2-CB 3.91Å
10P78.9Confident73.1Confident91 Ų91108.6 Ų108.659%0.59158%0.577SS**  trans-118.2135.3156.635.5-25.7000107.2N18P10-N18 PolarHBondContact O-ND2 3.39Å
11P70.2Confident74Confident34 Ų34103.9 Ų103.922%0.22155%0.552CS.*  -140.8-157.861.143.3-26.2000112.6E16 E17 N18 S21 D24P11-E16 HydrophobicContact CG-CB 4.31Å; P11-E16 HydrophobicContact CG-CG 4.3Å; P11-E16 VanDerWaalsContact CG-O 3.29Å; P11-E16 WeakPolarHBondContact CG-O 3.48Å; P11-E17 VanDerWaalsContact CD-C 3.49Å; P11-E17 VanDerWaalsContact CG-CA 3.48Å; P11-N18 HydrophobicContact CG-CB 4.33Å; P11-N18 VanDerWaalsContact CG-N 3.29Å; P11-S21 PolarHBondContact O-OG 3.13Å; P11-D24 VanDerWaalsContact CD-OD2 3.32Å; P11-D24 WeakPolarHBondContact CD-OD2 3.39Å
12G77Confident76.5Confident46 Ų4698.7 Ų98.747%0.47453%0.529SS..  trans112.7104.7-157.700000107.5
13V75.7Confident78.6Confident63 Ų6392.3 Ų92.338%0.38250%0.5SS..SBendcis-125.8134.118.3168.70000109.5Y112 S116 L166V13-Y112 VanDerWaalsContact CG1-O 3.22Å; V13-Y112 WeakPolarHBondContact CG1-O 3.27Å; V13-S116 WeakPolarHBondContact CG1-OG 3.46Å; V13-L166 HydrophobicContact CB-CD1 4.09Å; V13-L166 HydrophobicContact CG2-CD1 3.57Å
14G82.6Confident80.6Confident29 Ų2986.6 Ų86.630%0.29947%0.465SS..SBendtrans173.3-163.3-17700000106.9S116 Q117G14-S116 VanDerWaalsContact O-CB 3.29Å; G14-S116 WeakPolarHBondContact O-CB 3.21Å; G14-Q117 PolarHBondContact O-NE2 3.18Å; G14-Q117 VanDerWaalsContact O-NE2 3.08Å
15M87.1Confident82.5Confident87 Ų8782.1 Ų82.143%0.42945%0.447SS..SBendtrans-84.6-18.6172.7-69.2-175.871.500112.7Q117 L119 H120M15-Q117 PolarHBondContact O-OE1 3.01Å; M15-L119 HydrophobicContact CE-CB 4.17Å; M15-L119 HydrophobicContact CG-CB 4.33Å; M15-L119 HydrophobicContact SD-CB 3.98Å; M15-H120 HydrophobicContact CE-CB 4.29Å; M15-H120 PolarHBondContact O-CE1 3.16Å; M15-H120 PolarHBondContact O-NE2 3.12Å
16E89.9Confident83.9Confident151 Ų15182 Ų8271%0.70644%0.438SS*.  trans-82.3144.1177.9-161.8175.6175.700111.1P11P11-E16 HydrophobicContact CG-CB 4.31Å; P11-E16 HydrophobicContact CG-CG 4.3Å; P11-E16 VanDerWaalsContact CG-O 3.29Å; P11-E16 WeakPolarHBondContact CG-O 3.48Å
17E90.4Very high85.5Confident63 Ų6373.1 Ų73.129%0.29440%0.403SS..  trans-124.3146177.3-70174.4155.800109.8P11 D24 K69 Q117P11-E17 VanDerWaalsContact CD-C 3.49Å; P11-E17 VanDerWaalsContact CG-CA 3.48Å; E17-D24 WeakPolarHBondContact CA-OD2 3.38Å; E17-D24 HydrophobicContact CB-CB 4.17Å; E17-D24 HydrophobicContact CG-CB 4.33Å; E17-K69 IonicContact OE1-NZ 3.83Å; E17-K69 PolarHBondContact OE1-NZ 3.45Å; E17-K69 IonicContact OE2-NZ 3.03Å; E17-K69 PolarHBondContact OE2-NZ 2.9Å; E17-Q117 VanDerWaalsContact CG-NE2 3.25Å; E17-Q117 VanDerWaalsContact OE1-CD 3.22Å; E17-Q117 PolarHBondContact OE1-OE1 3.18Å
18N92.4Very high86.5Confident38 Ų3866.5 Ų66.520%0.20337%0.371CS..  trans-96.2134.7172.2-144.8-64.6000107.9V9 P10 P11 L20 S21 D24V9-N18 HydrophobicContact CG1-CB 4.2Å; P10-N18 PolarHBondContact O-ND2 3.39Å; P11-N18 HydrophobicContact CG-CB 4.33Å; P11-N18 VanDerWaalsContact CG-N 3.29Å; N18-L20 PolarHBondContact O-N 2.91Å; N18-L20 WeakPolarHBondContact OD1-CB 3.47Å; N18-L20 PolarHBondContact OD1-N 3.07Å; N18-S21 PolarHBondContact O-N 2.64Å; N18-D24 PolarHBondContact N-OD2 2.98Å
19F90Very high87.6Confident177 Ų17769.7 Ų69.778%0.77638%0.381SS*.THydrogen-bonded Turntrans-61.5-28.7165.4-175.4-101.2000113.3I25F19-I25 WeakPolarHBondContact O-CD1 3.4Å
20L92.4Very high88.6Confident95 Ų9567.4 Ų67.450%0.49737%0.365SS..THydrogen-bonded Turntrans-94-4.7-178.8-57.8-180000113.7V9 N18 L22V9-L20 HydrophobicContact CG1-CB 4.01Å; V9-L20 HydrophobicContact CG2-CB 3.91Å; N18-L20 PolarHBondContact O-N 2.91Å; N18-L20 WeakPolarHBondContact OD1-CB 3.47Å; N18-L20 PolarHBondContact OD1-N 3.07Å; L20-L22 PolarHBondContact O-N 3.11Å
21S92.4Very high89.3Confident10 Ų1071 Ų717%0.0737%0.367CS..  trans-83.9112.5180176.70000108.2P11 N18 D23 D24 I25P11-S21 PolarHBondContact O-OG 3.13Å; N18-S21 PolarHBondContact O-N 2.64Å; S21-D23 PolarHBondContact O-N 2.72Å; S21-D24 VanDerWaalsContact CB-OD2 3.32Å; S21-D24 WeakPolarHBondContact CB-OD2 3.32Å; S21-D24 PolarHBondContact O-N 3.21Å; S21-D24 PolarHBondContact OG-N 3Å; S21-D24 PolarHBondContact OG-OD2 2.67Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 3.44Å
22L91.6Very high90.5Very high127 Ų12769.4 Ų69.467%0.66536%0.356SS*.Hα-helixtrans-60-33.6175.6-63.8179.9000111.1L20 I25 L26L20-L22 PolarHBondContact O-N 3.11Å; L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 3Å; L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.5Å
23D91.3Very high91.3Very high47 Ų4768.5 Ų68.525%0.25134%0.342SS..Hα-helixtrans-69.6-41.1-179.1-63.3-41.5000111.4S21 L26 L27 Y110 Y165S21-D23 PolarHBondContact O-N 2.72Å; D23-L26 PolarHBondContact O-N 3.5Å; D23-L27 VanDerWaalsContact O-CB 3.24Å; D23-L27 WeakPolarHBondContact O-CB 3.24Å; D23-L27 PolarHBondContact O-N 3.47Å; D23-Y110 HydrophobicContact CB-CE1 4.25Å; D23-Y165 HydrophobicContact CB-CD1 4.46Å; D23-Y165 HydrophobicContact CB-CE1 4.1Å; D23-Y165 WeakPolarHBondContact OD1-CE1 3.36Å; D23-Y165 PolarHBondContact OD1-OH 3.44Å; D23-Y165 WeakPolarHBondContact OD2-CE1 3.35Å; D23-Y165 PolarHBondContact OD2-OH 3.43Å
24D93.8Very high92.3Very high6 Ų665.6 Ų65.63%0.03233%0.325CS..Hα-helixtrans-68.3-38.1174.2-66.4-26.7000111.9P11 E17 N18 S21 L26 L27 S28P11-D24 VanDerWaalsContact CD-OD2 3.32Å; P11-D24 WeakPolarHBondContact CD-OD2 3.39Å; E17-D24 WeakPolarHBondContact CA-OD2 3.38Å; E17-D24 HydrophobicContact CB-CB 4.17Å; E17-D24 HydrophobicContact CG-CB 4.33Å; N18-D24 PolarHBondContact N-OD2 2.98Å; S21-D24 VanDerWaalsContact CB-OD2 3.32Å; S21-D24 WeakPolarHBondContact CB-OD2 3.32Å; S21-D24 PolarHBondContact O-N 3.21Å; S21-D24 PolarHBondContact OG-N 3Å; S21-D24 PolarHBondContact OG-OD2 2.67Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 2.98Å; D24-L27 PolarHBondContact O-N 3.02Å; D24-S28 VanDerWaalsContact O-CB 3.23Å; D24-S28 WeakPolarHBondContact O-CB 3.28Å; D24-S28 PolarHBondContact O-N 3.5Å; D24-S28 PolarHBondContact O-OG 3.33Å
25I94.6Very high92.8Very high80 Ų8068.1 Ų68.141%0.4133%0.325SS..Hα-helixtrans-59.6-47.6174.5-69165.5000110.2F19 S21 L22 S28 H29F19-I25 WeakPolarHBondContact O-CD1 3.4Å; S21-I25 WeakPolarHBondContact O-CG1 3.28Å; S21-I25 PolarHBondContact O-N 3.44Å; L22-I25 HydrophobicContact CD2-CD1 4.49Å; L22-I25 PolarHBondContact O-N 3Å; I25-S28 PolarHBondContact O-N 2.87Å; I25-S28 PolarHBondContact O-OG 2.86Å; I25-H29 PolarHBondContact O-N 3.38Å
26L93.6Very high93.2Very high97 Ų9764 Ų6451%0.50831%0.305SS..Hα-helixtrans-67-42.8-179.8-70.2172.8000111.9L22 D23 D24 S28 H29 Y110L22-L26 WeakPolarHBondContact O-CB 3.42Å; L22-L26 WeakPolarHBondContact O-CG 3.39Å; L22-L26 PolarHBondContact O-N 3.5Å; D23-L26 PolarHBondContact O-N 3.5Å; D24-L26 VanDerWaalsContact C-N 3.34Å; D24-L26 PolarHBondContact O-N 2.98Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.22Å; L26-H29 WeakPolarHBondContact O-CB 3.39Å; L26-H29 PolarHBondContact O-N 2.75Å; L26-Y110 HydrophobicContact CB-CE2 4.13Å; L26-Y110 WeakPolarHBondContact CB-OH 3.4Å; L26-Y110 WeakPolarHBondContact CD1-OH 3.37Å
27L94.6Very high93.4Very high4 Ų458.9 Ų58.92%0.02128%0.281CS..Hα-helixtrans-57.6-46.2172.5165.260.9000111.3D23 D24 H29 E30 L65 Y110 L114 Q117D23-L27 VanDerWaalsContact O-CB 3.24Å; D23-L27 WeakPolarHBondContact O-CB 3.24Å; D23-L27 PolarHBondContact O-N 3.47Å; D24-L27 PolarHBondContact O-N 3.02Å; L27-H29 PolarHBondContact O-N 3.4Å; L27-H29 VanDerWaalsContact O-N 3.11Å; L27-E30 WeakPolarHBondContact O-CB 3.22Å; L27-E30 WeakPolarHBondContact O-CG 3.38Å; L27-E30 PolarHBondContact O-N 3.3Å; L27-L65 HydrophobicContact CD1-CD2 4.48Å; L27-L65 HydrophobicContact CG-CD2 4.39Å; L27-Y110 HydrophobicContact CB-CD1 4.22Å; L27-Y110 HydrophobicContact CB-CD2 4.38Å; L27-Y110 HydrophobicContact CB-CG 4.08Å; L27-Y110 HydrophobicContact CD1-CG 4.24Å; L27-L114 HydrophobicContact CD1-CB 3.75Å; L27-L114 HydrophobicContact CD1-CD1 4.26Å; L27-Q117 HydrophobicContact CD2-CG 3.86Å
28S94Very high93.5Very high19 Ų1958.1 Ų58.113%0.13328%0.282CS..Hα-helixtrans-63.3-19.8-178.880.90000113.4D24 I25 L26 E30 L65 F66D24-S28 VanDerWaalsContact O-CB 3.23Å; D24-S28 WeakPolarHBondContact O-CB 3.28Å; D24-S28 PolarHBondContact O-N 3.5Å; D24-S28 PolarHBondContact O-OG 3.33Å; I25-S28 PolarHBondContact O-N 2.87Å; I25-S28 PolarHBondContact O-OG 2.86Å; L26-S28 VanDerWaalsContact C-N 3.34Å; L26-S28 PolarHBondContact O-N 3.22Å; S28-E30 VanDerWaalsContact C-N 3.34Å; S28-L65 WeakPolarHBondContact O-CB 3.23Å; S28-L65 PolarHBondContact O-N 2.8Å; S28-L65 VanDerWaalsContact O-N 3.15Å; S28-F66 VanDerWaalsContact O-CD1 3.32Å; S28-F66 WeakPolarHBondContact O-CD1 3.45Å; S28-F66 PolarHBondContact O-N 2.91Å
29H94.4Very high93.6Very high115 Ų11559.1 Ų59.153%0.53229%0.289SS..THydrogen-bonded Turntrans-79.4-15.1175.5-163.377.1000113.4I25 L26 L27 R31I25-H29 PolarHBondContact O-N 3.38Å; L26-H29 WeakPolarHBondContact O-CB 3.39Å; L26-H29 PolarHBondContact O-N 2.75Å; L27-H29 PolarHBondContact O-N 3.4Å; L27-H29 VanDerWaalsContact O-N 3.11Å; H29-R31 PolarHBondContact O-N 3.37Å
30E93.6Very high93.8Very high36 Ų3651.7 Ų51.717%0.16826%0.257CS..SBendtrans-59.1138.8176.9-68.5-162.6157.900110.8L27 S28 P64 L65 L114L27-E30 WeakPolarHBondContact O-CB 3.22Å; L27-E30 WeakPolarHBondContact O-CG 3.38Å; L27-E30 PolarHBondContact O-N 3.3Å; S28-E30 VanDerWaalsContact C-N 3.34Å; E30-P64 CarbonylContact O-C 3.19Å; E30-P64 WeakPolarHBondContact O-CA 3.42Å; E30-L65 PolarHBondContact O-N 3.17Å; E30-L114 WeakPolarHBondContact OE2-CD2 3.41Å
31R93.9Very high93.9Very high167 Ų16751.2 Ų51.263%0.6326%0.26SS*.EExtended strand (participates in β ladder)trans-89136.2-175.4-63.2-175.6-175.6-178.60110.6H29 E62 M63H29-R31 PolarHBondContact O-N 3.37Å; R31-E62 HydrophobicContact CB-CB 4.27Å; R31-M63 CarbonylContact C-O 3.43Å; R31-M63 WeakPolarHBondContact CA-O 3.1Å
32L94.8Very high94Very high0 Ų059 Ų590%029%0.287CS..EExtended strand (participates in β ladder)trans-112.4135.8176.4-65.2-179.4000110.3S34 M63 L65 V81 P84 L114 L118 F121L32-S34 PolarHBondContact O-N 3.28Å; L32-S34 PolarHBondContact O-OG 3.38Å; L32-S34 VanDerWaalsContact O-OG 3.1Å; L32-M63 PolarHBondContact N-O 3.34Å; L32-M63 PolarHBondContact O-N 3.48Å; L32-L65 HydrophobicContact CD1-CB 4.22Å; L32-L65 HydrophobicContact CD1-CD1 3.61Å; L32-L65 HydrophobicContact CG-CB 4.49Å; L32-V81 HydrophobicContact CB-CG1 4.29Å; L32-V81 HydrophobicContact CD1-CG1 3.99Å; L32-P84 HydrophobicContact CD2-CG 3.55Å; L32-L114 HydrophobicContact CD2-CD1 3.97Å; L32-L118 HydrophobicContact CD1-CD2 4.07Å; L32-L118 HydrophobicContact CD2-CD2 4.01Å; L32-F121 HydrophobicContact CD1-CE2 3.76Å; L32-F121 HydrophobicContact CD1-CZ 4.21Å
33P95.3Very high94.1Very high28 Ų2856 Ų5618%0.18227%0.272CS..EExtended strand (participates in β ladder)trans-64.4121.6170.627.3-31000108.3E82P33-E82 HydrophobicContact CB-CB 4.19Å; P33-E82 HydrophobicContact CG-CB 4.1Å; P33-E82 WeakPolarHBondContact CG-O 3.41Å; P33-E82 PolarHBondContact O-N 3.27Å
34S95Very high94.2Very high2 Ų253.9 Ų53.91%0.01426%0.261CS..EExtended strand (participates in β ladder)trans-135.5154.6-173.9-57.60000110.4L32 K60 M61 S80L32-S34 PolarHBondContact O-N 3.28Å; L32-S34 PolarHBondContact O-OG 3.38Å; L32-S34 VanDerWaalsContact O-OG 3.1Å; S34-K60 WeakPolarHBondContact O-CA 3.23Å; S34-M61 PolarHBondContact N-O 3.34Å; S34-M61 PolarHBondContact O-N 3.3Å; S34-S80 CarbonylContact C-O 3.58Å; S34-S80 VanDerWaalsContact CA-O 3.31Å; S34-S80 WeakPolarHBondContact CA-O 3.49Å
35R94.5Very high94.1Very high81 Ų8161 Ų6131%0.30629%0.292SS..EExtended strand (participates in β ladder)trans-125.3132.4176.1175.1-180-177.2-92.9-2.8109.7E37 T59 V79 S80R35-E37 IonicContact CZ-OE1 2.7Å; R35-E37 IonicContact NH1-OE1 3.31Å; R35-E37 PolarHBondContact NH1-OE1 3.38Å; R35-E37 IonicContact NH1-OE2 2.78Å; R35-E37 PolarHBondContact NH1-OE2 3.48Å; R35-T59 WeakPolarHBondContact CA-O 3.33Å; R35-V79 CarbonylContact O-C 3.52Å; R35-V79 WeakPolarHBondContact O-CA 3.49Å; R35-S80 WeakPolarHBondContact CB-OG 3.31Å; R35-S80 PolarHBondContact N-O 2.85Å; R35-S80 PolarHBondContact O-N 3.44Å; R35-S80 PolarHBondContact O-OG 2.83Å
36T94.2Very high93.8Very high0 Ų061.8 Ų61.80%030%0.296CS..EExtended strand (participates in β ladder)trans-71135.4174.659.30000109.9F40 I55 Q56 G58 T59 M61 M63T36-F40 HydrophobicContact CG2-CD2 4.3Å; T36-F40 HydrophobicContact CG2-CE1 4.49Å; T36-F40 HydrophobicContact CG2-CE2 3.88Å; T36-F40 HydrophobicContact CG2-CZ 3.98Å; T36-I55 HydrophobicContact CG2-CG2 4.09Å; T36-Q56 PolarHBondContact OG1-O 2.94Å; T36-G58 VanDerWaalsContact O-CA 3.22Å; T36-G58 WeakPolarHBondContact O-CA 3.48Å; T36-G58 PolarHBondContact O-N 3.4Å; T36-G58 PolarHBondContact OG1-N 2.9Å; T36-T59 PolarHBondContact N-O 2.89Å; T36-T59 PolarHBondContact OG1-N 3.33Å; T36-T59 PolarHBondContact OG1-O 3.07Å; T36-M61 HydrophobicContact CG2-SD 3.78Å; T36-M63 HydrophobicContact CG2-CE 4.17Å
37E94.2Very high93.5Very high45 Ų4559.1 Ų59.121%0.2128%0.281CS..SBendtrans-108.21.3178-63.4-63.5152.300111.4R35 R77 V78 S80R35-E37 IonicContact CZ-OE1 2.7Å; R35-E37 IonicContact NH1-OE1 3.31Å; R35-E37 PolarHBondContact NH1-OE1 3.38Å; R35-E37 IonicContact NH1-OE2 2.78Å; R35-E37 PolarHBondContact NH1-OE2 3.48Å; E37-R77 HydrophobicContact CB-CB 4.03Å; E37-R77 WeakPolarHBondContact CB-O 3.15Å; E37-R77 HydrophobicContact CG-CB 4.13Å; E37-V78 PolarHBondContact N-O 3.48Å; E37-S80 VanDerWaalsContact OE1-CB 3.31Å; E37-S80 WeakPolarHBondContact OE1-CB 3.32Å; E37-S80 PolarHBondContact OE1-OG 3.44Å
38C93.3Very high92.9Very high46 Ų4668.9 Ų68.931%0.31132%0.323SS..SBendtrans-147.5169.816766.70000110.4
39T94.3Very high92.3Very high59 Ų5973 Ų7336%0.36235%0.353SS..  trans-74.4132.4176.2-60.10000110.3P41 D54 I55T39-P41 WeakPolarHBondContact O-CD 3.38Å; T39-D54 HydrophobicContact CG2-CB 3.97Å; T39-I55 CarbonylContact C-O 3.51Å; T39-I55 VanDerWaalsContact CA-O 3.28Å; T39-I55 WeakPolarHBondContact CA-O 3.41Å; T39-I55 WeakPolarHBondContact CG2-O 3.43Å
40F94.3Very high91.7Very high22 Ų2269.5 Ų69.510%0.09634%0.341CS..BIsolated β-bridgetrans-99.1104.4171.9-61.4-9.5000110.8T36 L43 D54 I55 M63 L71 V78 V79T36-F40 HydrophobicContact CG2-CD2 4.3Å; T36-F40 HydrophobicContact CG2-CE1 4.49Å; T36-F40 HydrophobicContact CG2-CE2 3.88Å; T36-F40 HydrophobicContact CG2-CZ 3.98Å; F40-L43 HydrophobicContact CB-CB 4.11Å; F40-L43 HydrophobicContact CB-CD1 3.96Å; F40-L43 HydrophobicContact CB-CG 4.32Å; F40-L43 HydrophobicContact CD2-CD1 4.16Å; F40-L43 HydrophobicContact CG-CD1 4.41Å; F40-D54 WeakPolarHBondContact O-CA 3.05Å; F40-I55 HydrophobicContact CB-CB 4.08Å; F40-I55 HydrophobicContact CB-CD1 4.43Å; F40-I55 HydrophobicContact CD2-CD1 4.17Å; F40-I55 PolarHBondContact N-O 3.38Å; F40-I55 PolarHBondContact O-N 3.39Å; F40-M63 HydrophobicContact CE2-CE 3.95Å; F40-M63 HydrophobicContact CZ-CE 4.48Å; F40-L71 HydrophobicContact CE2-CD1 4.43Å; F40-L71 HydrophobicContact CZ-CD1 4.43Å; F40-V78 HydrophobicContact CE1-CG1 3.48Å; F40-V78 VanDerWaalsContact CE1-CG1 3.48Å; F40-V78 HydrophobicContact CZ-CG1 3.73Å; F40-V79 HydrophobicContact CZ-CG2 3.8Å
41P94.9Very high91.3Very high85 Ų8576.2 Ų76.255%0.55238%0.378SS*.THydrogen-bonded Turntrans-69.8139-175.328.6-34.7000111.4T39 L43 D54T39-P41 WeakPolarHBondContact O-CD 3.38Å; P41-L43 PolarHBondContact O-N 3Å; P41-D54 WeakPolarHBondContact CA-OD1 3.2Å
42R94.4Very high91.1Very high173 Ų17370 Ų7065%0.65336%0.36SS*.THydrogen-bonded Turntrans63.113.7177.2-52.3-179.4-70.2-175.5-3.2115.1F45 R53 D54R42-F45 WeakPolarHBondContact O-CD1 3.31Å; R42-F45 WeakPolarHBondContact O-CE1 3.38Å; R42-R53 CarbonylContact C-O 3.33Å; R42-R53 VanDerWaalsContact CA-O 3.24Å; R42-R53 WeakPolarHBondContact CA-O 3.33Å; R42-D54 PolarHBondContact N-OD1 2.9Å
43L94.1Very high91Very high64 Ų6478.7 Ų78.734%0.33539%0.393SS..  trans-104.17.2178.1-65.8-169.1000113.8F40 P41 F45 L46 R53 I55F40-L43 HydrophobicContact CB-CB 4.11Å; F40-L43 HydrophobicContact CB-CD1 3.96Å; F40-L43 HydrophobicContact CB-CG 4.32Å; F40-L43 HydrophobicContact CD2-CD1 4.16Å; F40-L43 HydrophobicContact CG-CD1 4.41Å; P41-L43 PolarHBondContact O-N 3Å; L43-F45 HydrophobicContact CD2-CE1 3.83Å; L43-F45 HydrophobicContact CD2-CZ 4.13Å; L43-F45 PolarHBondContact O-N 3.2Å; L43-L46 HydrophobicContact CB-CD1 4.19Å; L43-L46 HydrophobicContact CD1-CD1 4.4Å; L43-L46 HydrophobicContact CD2-CD1 4.48Å; L43-L46 WeakPolarHBondContact O-CB 3.17Å; L43-L46 PolarHBondContact O-N 3Å; L43-R53 PolarHBondContact N-O 2.85Å; L43-I55 HydrophobicContact CB-CD1 3.83Å; L43-I55 HydrophobicContact CB-CG1 4.09Å; L43-I55 WeakPolarHBondContact O-CD1 3.41Å; L43-I55 WeakPolarHBondContact O-CG1 3.49Å
44G91.8Very high91Very high2 Ų279.7 Ų79.72%0.02140%0.397CS..G310 helixtrans-58.6-24.2-177.700000114.3L46 E47 S52 R53G44-L46 PolarHBondContact O-N 2.87Å; G44-L46 VanDerWaalsContact O-N 3.07Å; G44-E47 PolarHBondContact O-N 2.86Å; G44-S52 WeakPolarHBondContact CA-O 3.45Å; G44-R53 WeakPolarHBondContact CA-O 3.5Å; G44-R53 PolarHBondContact N-O 2.8Å
45F91.7Very high90.9Very high155 Ų15579.6 Ų79.668%0.6840%0.396SS*.G310 helixtrans-61.4-17.2174.271.4-92.8000114.4R42 L43R42-F45 WeakPolarHBondContact O-CD1 3.31Å; R42-F45 WeakPolarHBondContact O-CE1 3.38Å; L43-F45 HydrophobicContact CD2-CE1 3.83Å; L43-F45 HydrophobicContact CD2-CZ 4.13Å; L43-F45 PolarHBondContact O-N 3.2Å
46L89.9Confident90.9Very high97 Ų9780.4 Ų80.451%0.50840%0.403SS..G310 helixtrans-76.9-25.9173.3-62.5175.6000112L43 G44 I55L43-L46 HydrophobicContact CB-CD1 4.19Å; L43-L46 HydrophobicContact CD1-CD1 4.4Å; L43-L46 HydrophobicContact CD2-CD1 4.48Å; L43-L46 WeakPolarHBondContact O-CB 3.17Å; L43-L46 PolarHBondContact O-N 3Å; G44-L46 PolarHBondContact O-N 2.87Å; G44-L46 VanDerWaalsContact O-N 3.07Å; L46-I55 HydrophobicContact CB-CD1 4.26Å; L46-I55 HydrophobicContact CD1-CD1 4.36Å
47E86.8Confident90.9Very high42 Ų4286.1 Ų86.120%0.19643%0.43CS..  trans-97.189.4-179.9-168.8-169170.400110G44 S49 S50 T59G44-E47 PolarHBondContact O-N 2.86Å; E47-S49 VanDerWaalsContact CG-OG 3.28Å; E47-S49 WeakPolarHBondContact CG-OG 3.41Å; E47-S49 PolarHBondContact O-N 3.27Å; E47-S49 PolarHBondContact OE1-OG 2.94Å; E47-S49 VanDerWaalsContact OE1-OG 3.11Å; E47-S50 PolarHBondContact O-N 2.81Å; E47-S50 VanDerWaalsContact O-N 3.13Å; E47-S50 VanDerWaalsContact O-O 3.13Å; E47-T59 HydrophobicContact CG-CG2 4.5Å
48K81.9Confident90.9Very high208 Ų20885 Ų8590%0.90443%0.43SS*.THydrogen-bonded Turntrans-62.9-12.5-178.2-62.1-176-179.7-1780114.7
49S82.2Confident90.9Very high107 Ų10783.9 Ų83.975%0.74842%0.422SS*.THydrogen-bonded Turntrans-84-9.2178.641.30000113.9E47E47-S49 VanDerWaalsContact CG-OG 3.28Å; E47-S49 WeakPolarHBondContact CG-OG 3.41Å; E47-S49 PolarHBondContact O-N 3.27Å; E47-S49 PolarHBondContact OE1-OG 2.94Å; E47-S49 VanDerWaalsContact OE1-OG 3.11Å
50S81.5Confident90.9Very high40 Ų4088 Ų8828%0.2844%0.435SS..  trans-134.5133.5-174-175.20000110.7E47 S52E47-S50 PolarHBondContact O-N 2.81Å; E47-S50 VanDerWaalsContact O-N 3.13Å; E47-S50 VanDerWaalsContact O-O 3.13Å; S50-S52 PolarHBondContact O-N 2.6Å; S50-S52 VanDerWaalsContact OG-CB 3.25Å; S50-S52 WeakPolarHBondContact OG-CB 3.48Å; S50-S52 PolarHBondContact OG-N 3.44Å
51D84.4Confident90.8Very high178 Ų17889.1 Ų89.195%0.95244%0.441SS*.  trans-83.810171.5-72.2-29.4000112.3
52S90Very high90.8Very high37 Ų3790.2 Ų90.226%0.25944%0.439SS..  trans-63.4142.8174.5176.60000110.8G44 S50 D54G44-S52 WeakPolarHBondContact CA-O 3.45Å; S50-S52 PolarHBondContact O-N 2.6Å; S50-S52 VanDerWaalsContact OG-CB 3.25Å; S50-S52 WeakPolarHBondContact OG-CB 3.48Å; S50-S52 PolarHBondContact OG-N 3.44Å; S52-D54 WeakPolarHBondContact CB-O 3.48Å; S52-D54 PolarHBondContact O-N 3.03Å; S52-D54 PolarHBondContact OG-N 3.3Å; S52-D54 PolarHBondContact OG-O 3.18Å
53R92.6Very high90.8Very high182 Ų18282.1 Ų82.169%0.68741%0.409SS*.SBendtrans-66.7-29.9171.7-173.8-178.2-175.9-173.51.3112.2R42 L43 G44R42-R53 CarbonylContact C-O 3.33Å; R42-R53 VanDerWaalsContact CA-O 3.24Å; R42-R53 WeakPolarHBondContact CA-O 3.33Å; L43-R53 PolarHBondContact N-O 2.85Å; G44-R53 WeakPolarHBondContact CA-O 3.5Å; G44-R53 PolarHBondContact N-O 2.8Å
54D94.3Very high90.9Very high48 Ų4880.3 Ų80.326%0.25740%0.4SS..SBendtrans-118.9148.6-172.3-53.1-31.3000110.2T39 F40 P41 R42 S52T39-D54 HydrophobicContact CG2-CB 3.97Å; F40-D54 WeakPolarHBondContact O-CA 3.05Å; P41-D54 WeakPolarHBondContact CA-OD1 3.2Å; R42-D54 PolarHBondContact N-OD1 2.9Å; S52-D54 WeakPolarHBondContact CB-O 3.48Å; S52-D54 PolarHBondContact O-N 3.03Å; S52-D54 PolarHBondContact OG-N 3.3Å; S52-D54 PolarHBondContact OG-O 3.18Å
55I94.6Very high91.1Very high1 Ų180.2 Ų80.21%0.00540%0.399CS..BIsolated β-bridgetrans-81.9121170-56.4175.2000107.4T36 T39 F40 L43 L46 T59 M61T36-I55 HydrophobicContact CG2-CG2 4.09Å; T39-I55 CarbonylContact C-O 3.51Å; T39-I55 VanDerWaalsContact CA-O 3.28Å; T39-I55 WeakPolarHBondContact CA-O 3.41Å; T39-I55 WeakPolarHBondContact CG2-O 3.43Å; F40-I55 HydrophobicContact CB-CB 4.08Å; F40-I55 HydrophobicContact CB-CD1 4.43Å; F40-I55 HydrophobicContact CD2-CD1 4.17Å; F40-I55 PolarHBondContact N-O 3.38Å; F40-I55 PolarHBondContact O-N 3.39Å; L43-I55 HydrophobicContact CB-CD1 3.83Å; L43-I55 HydrophobicContact CB-CG1 4.09Å; L43-I55 WeakPolarHBondContact O-CD1 3.41Å; L43-I55 WeakPolarHBondContact O-CG1 3.49Å; L46-I55 HydrophobicContact CB-CD1 4.26Å; L46-I55 HydrophobicContact CD1-CD1 4.36Å; I55-T59 HydrophobicContact CG2-CG2 3.95Å; I55-M61 HydrophobicContact CD1-CE 4.15Å; I55-M61 HydrophobicContact CD1-SD 4.39Å
56Q93.8Very high91.2Very high97 Ų9778 Ų7845%0.45339%0.39SS..PPolyproline II helixtrans-70.9155.5-177.7-61.4-59.8-38.900111.4T36 T59T36-Q56 PolarHBondContact OG1-O 2.94Å; Q56-T59 WeakPolarHBondContact O-CB 3.4Å; Q56-T59 PolarHBondContact O-N 3.48Å; Q56-T59 PolarHBondContact O-OG1 3.16Å
57E94.4Very high91.5Very high121 Ų12176.9 Ų76.957%0.56538%0.384SS*.THydrogen-bonded Turntrans-60.2141.1170-179.3179.915900110.8T59E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.34Å
58G93.3Very high91.8Very high21 Ų2174.9 Ų74.922%0.21638%0.375CS..THydrogen-bonded Turntrans82.25.517900000114.8T36 K60T36-G58 VanDerWaalsContact O-CA 3.22Å; T36-G58 WeakPolarHBondContact O-CA 3.48Å; T36-G58 PolarHBondContact O-N 3.4Å; T36-G58 PolarHBondContact OG1-N 2.9Å; G58-K60 PolarHBondContact O-N 3.06Å
59T93.9Very high92.4Very high22 Ų2266.9 Ų66.914%0.13534%0.34CS..  trans-68.7129.6177.3-560000109.9R35 T36 E47 I55 Q56 E57R35-T59 WeakPolarHBondContact CA-O 3.33Å; T36-T59 PolarHBondContact N-O 2.89Å; T36-T59 PolarHBondContact OG1-N 3.33Å; T36-T59 PolarHBondContact OG1-O 3.07Å; E47-T59 HydrophobicContact CG-CG2 4.5Å; I55-T59 HydrophobicContact CG2-CG2 3.95Å; Q56-T59 WeakPolarHBondContact O-CB 3.4Å; Q56-T59 PolarHBondContact O-N 3.48Å; Q56-T59 PolarHBondContact O-OG1 3.16Å; E57-T59 VanDerWaalsContact C-N 3.3Å; E57-T59 PolarHBondContact O-N 3.34Å
60K94.5Very high92.8Very high147 Ų14765.1 Ų65.164%0.63934%0.338SS*.EExtended strand (participates in β ladder)trans-86.9128.8174.9-66.4-169.8174.4-151.80109.7S34 G58 E82S34-K60 WeakPolarHBondContact O-CA 3.23Å; G58-K60 PolarHBondContact O-N 3.06Å; K60-E82 IonicContact NZ-OE1 3.9Å; K60-E82 PolarHBondContact NZ-OE1 3.2Å
61M92.8Very high93.4Very high44 Ų4465.6 Ų65.622%0.21734%0.338CS..EExtended strand (participates in β ladder)trans-150.5157.6-179.861.5-168-56.100112.2S34 T36 I55 M63S34-M61 PolarHBondContact N-O 3.34Å; S34-M61 PolarHBondContact O-N 3.3Å; T36-M61 HydrophobicContact CG2-SD 3.78Å; I55-M61 HydrophobicContact CD1-CE 4.15Å; I55-M61 HydrophobicContact CD1-SD 4.39Å; M61-M63 HydrophobicContact CE-CE 4.08Å; M61-M63 HydrophobicContact CG-CE 3.56Å; M61-M63 HydrophobicContact CG-CG 4Å; M61-M63 HydrophobicContact SD-CE 3.23Å; M61-M63 WeakPolarHBondContact SD-CE 3.37Å
62E94Very high93.6Very high108 Ų10859.9 Ų59.951%0.50530%0.303SS..EExtended strand (participates in β ladder)trans-91.3112.4176-68.2-64142.700109R31R31-E62 HydrophobicContact CB-CB 4.27Å
63M94.5Very high93.4Very high4 Ų462.7 Ų62.72%0.0231%0.312CS..EExtended strand (participates in β ladder)trans-111.1135.3-180-65.2-169.4-177.500110.7R31 L32 T36 F40 M61 A68 L71 V79R31-M63 CarbonylContact C-O 3.43Å; R31-M63 WeakPolarHBondContact CA-O 3.1Å; L32-M63 PolarHBondContact N-O 3.34Å; L32-M63 PolarHBondContact O-N 3.48Å; T36-M63 HydrophobicContact CG2-CE 4.17Å; F40-M63 HydrophobicContact CE2-CE 3.95Å; F40-M63 HydrophobicContact CZ-CE 4.48Å; M61-M63 HydrophobicContact CE-CE 4.08Å; M61-M63 HydrophobicContact CG-CE 3.56Å; M61-M63 HydrophobicContact CG-CG 4Å; M61-M63 HydrophobicContact SD-CE 3.23Å; M61-M63 WeakPolarHBondContact SD-CE 3.37Å; M63-A68 HydrophobicContact CB-CB 4.45Å; M63-L71 HydrophobicContact SD-CD1 4.11Å; M63-V79 HydrophobicContact CE-CG1 4.28Å; M63-V79 HydrophobicContact CE-CG2 3.81Å; M63-V79 HydrophobicContact SD-CG1 3.97Å; M63-V79 HydrophobicContact SD-CG2 3.97Å
64P95.9Very high92.7Very high25 Ų2562.2 Ų62.216%0.16231%0.31CS..EExtended strand (participates in β ladder)trans-56.3144.3169.6-24.234.6000112E30 F66 L67 A68E30-P64 CarbonylContact O-C 3.19Å; E30-P64 WeakPolarHBondContact O-CA 3.42Å; P64-F66 VanDerWaalsContact C-N 3.3Å; P64-F66 HydrophobicContact CB-CD1 3.62Å; P64-F66 HydrophobicContact CB-CE1 3.31Å; P64-F66 HydrophobicContact CB-CZ 4Å; P64-F66 HydrophobicContact CG-CE1 3.92Å; P64-F66 HydrophobicContact CG-CZ 4.26Å; P64-F66 PolarHBondContact O-N 3.1Å; P64-L67 WeakPolarHBondContact O-CB 3.34Å; P64-L67 PolarHBondContact O-N 2.77Å; P64-A68 PolarHBondContact O-N 2.83Å
65L95.4Very high91.9Very high0 Ų069.2 Ų69.20%034%0.339CS..Hα-helixtrans-53.7-43.8-178.6168.866.1000112.3L27 S28 E30 L32 L67 A68 K69 L114 Q117 F121L27-L65 HydrophobicContact CD1-CD2 4.48Å; L27-L65 HydrophobicContact CG-CD2 4.39Å; S28-L65 WeakPolarHBondContact O-CB 3.23Å; S28-L65 PolarHBondContact O-N 2.8Å; S28-L65 VanDerWaalsContact O-N 3.15Å; E30-L65 PolarHBondContact O-N 3.17Å; L32-L65 HydrophobicContact CD1-CB 4.22Å; L32-L65 HydrophobicContact CD1-CD1 3.61Å; L32-L65 HydrophobicContact CG-CB 4.49Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 3.45Å; L65-A68 PolarHBondContact O-N 2.94Å; L65-K69 HydrophobicContact CD1-CD 4.01Å; L65-K69 HydrophobicContact CD1-CG 3.98Å; L65-K69 HydrophobicContact CG-CD 4.13Å; L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 WeakPolarHBondContact O-CG 3.33Å; L65-K69 PolarHBondContact O-N 3.39Å; L65-L114 HydrophobicContact CD2-CD1 4.09Å; L65-Q117 HydrophobicContact CD1-CB 4.27Å; L65-Q117 HydrophobicContact CD2-CB 3.63Å; L65-Q117 HydrophobicContact CD2-CG 3.92Å; L65-F121 HydrophobicContact CD1-CE2 3.91Å; L65-F121 HydrophobicContact CD1-CZ 4.06Å
66F95.1Very high91Very high108 Ų10877.7 Ų77.747%0.47437%0.37SS..Hα-helixtrans-59.3-37.6178.373.5-96.9000112.5S28 P64 G70S28-F66 VanDerWaalsContact O-CD1 3.32Å; S28-F66 WeakPolarHBondContact O-CD1 3.45Å; S28-F66 PolarHBondContact O-N 2.91Å; P64-F66 VanDerWaalsContact C-N 3.3Å; P64-F66 HydrophobicContact CB-CD1 3.62Å; P64-F66 HydrophobicContact CB-CE1 3.31Å; P64-F66 HydrophobicContact CB-CZ 4Å; P64-F66 HydrophobicContact CG-CE1 3.92Å; P64-F66 HydrophobicContact CG-CZ 4.26Å; P64-F66 PolarHBondContact O-N 3.1Å; F66-G70 PolarHBondContact O-N 3.01Å
67L94.8Very high90.4Very high74 Ų7482.3 Ų82.339%0.38738%0.384SS..Hα-helixtrans-76.1-44.4-179.6-179.662.7000110.5P64 L65 K69 G70 L71P64-L67 WeakPolarHBondContact O-CB 3.34Å; P64-L67 PolarHBondContact O-N 2.77Å; L65-L67 VanDerWaalsContact C-N 3.26Å; L65-L67 PolarHBondContact O-N 3.45Å; L67-K69 VanDerWaalsContact C-N 3.29Å; L67-K69 PolarHBondContact O-N 3.48Å; L67-G70 PolarHBondContact O-N 2.75Å; L67-G70 VanDerWaalsContact O-N 3.16Å; L67-L71 HydrophobicContact CD1-CD1 3.94Å; L67-L71 HydrophobicContact CD1-CG 4.1Å; L67-L71 HydrophobicContact CG-CD1 3.9Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.31Å
68A94.6Very high90.2Very high0 Ų078.5 Ų78.50%037%0.368CS..Hα-helixtrans-57.8-43.8176.200000111.1M63 P64 L65 L71 Y72 V81 F121M63-A68 HydrophobicContact CB-CB 4.45Å; P64-A68 PolarHBondContact O-N 2.83Å; L65-A68 PolarHBondContact O-N 2.94Å; A68-L71 PolarHBondContact O-N 3.36Å; A68-Y72 WeakPolarHBondContact O-CB 3.24Å; A68-Y72 PolarHBondContact O-N 3.11Å; A68-V81 HydrophobicContact CB-CG2 4.17Å; A68-F121 HydrophobicContact CB-CE1 4.44Å; A68-F121 HydrophobicContact CB-CZ 4.04Å
69K93.1Very high90.2Very high41 Ų4177.6 Ų77.618%0.17836%0.359CS..Hα-helixtrans-59.4-45.5173.5-78.7174159.3-176.20112.8E17 L65 L67 L71 Y72 F121E17-K69 IonicContact OE1-NZ 3.83Å; E17-K69 PolarHBondContact OE1-NZ 3.45Å; E17-K69 IonicContact OE2-NZ 3.03Å; E17-K69 PolarHBondContact OE2-NZ 2.9Å; L65-K69 HydrophobicContact CD1-CD 4.01Å; L65-K69 HydrophobicContact CD1-CG 3.98Å; L65-K69 HydrophobicContact CG-CD 4.13Å; L65-K69 WeakPolarHBondContact O-CB 3.46Å; L65-K69 WeakPolarHBondContact O-CG 3.33Å; L65-K69 PolarHBondContact O-N 3.39Å; L67-K69 VanDerWaalsContact C-N 3.29Å; L67-K69 PolarHBondContact O-N 3.48Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.42Å; K69-Y72 PolarHBondContact O-N 3.21Å; K69-F121 HydrophobicContact CG-CE1 4.41Å; K69-F121 HydrophobicContact CG-CZ 3.93Å
70G92.2Very high90.1Very high69 Ų6978.3 Ų78.371%0.71136%0.364SS*.Hα-helixtrans-67.9-31-179.900000113.9F66 L67F66-G70 PolarHBondContact O-N 3.01Å; L67-G70 PolarHBondContact O-N 2.75Å; L67-G70 VanDerWaalsContact O-N 3.16Å
71L92.4Very high90.1Very high51 Ų5172.9 Ų72.927%0.26734%0.344SS..Hα-helixtrans-87.7-16.5177.3-65.4176.8000113.2F40 M63 L67 A68 K69 E73 V78 V79F40-L71 HydrophobicContact CE2-CD1 4.43Å; F40-L71 HydrophobicContact CZ-CD1 4.43Å; M63-L71 HydrophobicContact SD-CD1 4.11Å; L67-L71 HydrophobicContact CD1-CD1 3.94Å; L67-L71 HydrophobicContact CD1-CG 4.1Å; L67-L71 HydrophobicContact CG-CD1 3.9Å; L67-L71 HydrophobicContact CG-CG 4.4Å; L67-L71 WeakPolarHBondContact O-CG 3.34Å; L67-L71 PolarHBondContact O-N 3.31Å; A68-L71 PolarHBondContact O-N 3.36Å; K69-L71 VanDerWaalsContact C-N 3.33Å; K69-L71 PolarHBondContact O-N 3.42Å; L71-E73 PolarHBondContact O-N 2.97Å; L71-V78 HydrophobicContact CD2-CG1 4.47Å; L71-V79 HydrophobicContact CB-CB 4.49Å; L71-V79 HydrophobicContact CB-CG2 3.92Å; L71-V79 HydrophobicContact CD1-CG2 3.92Å
72Y90.4Very high90.1Very high57 Ų5774 Ų7422%0.22435%0.348CS..EExtended strand (participates in β ladder)trans-77.7114.4-179.2-177.9-100000110.9A68 K69 R74 H120 F121 D122A68-Y72 WeakPolarHBondContact O-CB 3.24Å; A68-Y72 PolarHBondContact O-N 3.11Å; K69-Y72 PolarHBondContact O-N 3.21Å; Y72-R74 HydrophobicContact CE1-CG 4.17Å; Y72-H120 WeakPolarHBondContact CE1-O 3.42Å; Y72-F121 AromaticContact CD1-CD1 3.87Å; Y72-F121 HydrophobicContact CD1-CD1 3.87Å; Y72-F121 HydrophobicContact CD1-CE1 4.38Å; Y72-F121 AromaticContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CE1 4.25Å; Y72-F121 HydrophobicContact CE1-CD1 4.27Å; Y72-F121 HydrophobicContact CE2-CB 4.5Å; Y72-F121 HydrophobicContact CE2-CD1 4.07Å; Y72-F121 AromaticContact CG-CD1 3.54Å; Y72-F121 HydrophobicContact CG-CD1 3.54Å; Y72-F121 AromaticContact CG-CE1 3.88Å; Y72-F121 HydrophobicContact CG-CE1 3.88Å; Y72-D122 VanDerWaalsContact OH-CB 3.24Å; Y72-D122 WeakPolarHBondContact OH-CB 3.12Å; Y72-D122 PolarHBondContact OH-N 3.19Å; Y72-D122 PolarHBondContact OH-OD2 2.99Å
73E84.7Confident90Very high96 Ų9670.2 Ų70.245%0.44933%0.331SS..EExtended strand (participates in β ladder)trans-129.2121.9173.7-178.8161.3-139.900110.6L71 K75 R76L71-E73 PolarHBondContact O-N 2.97Å; E73-K75 PolarHBondContact O-N 3.15Å; E73-R76 HydrophobicContact CB-CB 4.28Å; E73-R76 HydrophobicContact CG-CB 4.14Å; E73-R76 CarbonylContact O-C 3.6Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 WeakPolarHBondContact OE2-CD 3.48Å
74R78.1Confident90Very high172 Ų17270.9 Ų70.965%0.64934%0.336SS*.THydrogen-bonded Turntrans-52.5-36-175.6-71.9-174.2161.9154.21.1114.1Y72 D122Y72-R74 HydrophobicContact CE1-CG 4.17Å; R74-D122 WeakPolarHBondContact CD-OD2 3.29Å; R74-D122 WeakPolarHBondContact CG-OD2 2.98Å; R74-D122 IonicContact CZ-OD1 2.89Å; R74-D122 VanDerWaalsContact CZ-OD1 3.31Å; R74-D122 IonicContact CZ-OD2 3.31Å; R74-D122 IonicContact NE-OD1 3.25Å; R74-D122 PolarHBondContact NE-OD1 3.27Å; R74-D122 IonicContact NE-OD2 3.61Å; R74-D122 PolarHBondContact NE-OD2 3.03Å; R74-D122 IonicContact NH2-OD1 3.33Å; R74-D122 PolarHBondContact NH2-OD1 3.46Å
75K78.4Confident89.8Confident196 Ų19677.4 Ų77.485%0.85236%0.362SS*.THydrogen-bonded Turntrans-92.5-22-177-64.8-177.9-179.2177.70113.3E73E73-K75 PolarHBondContact O-N 3.15Å
76R75.3Confident89.7Confident178 Ų17878.2 Ų78.267%0.67237%0.367SS*.EExtended strand (participates in β ladder)trans-129.894-175.9-67.1-177.3176.7173.8-1.2107.3E73 V78E73-R76 HydrophobicContact CB-CB 4.28Å; E73-R76 HydrophobicContact CG-CB 4.14Å; E73-R76 CarbonylContact O-C 3.6Å; E73-R76 PolarHBondContact O-N 3.48Å; E73-R76 WeakPolarHBondContact OE2-CD 3.48Å; R76-V78 VanDerWaalsContact C-N 3.33Å; R76-V78 PolarHBondContact O-N 2.82Å
77R79.6Confident89.7Confident195 Ų19573.3 Ų73.374%0.73635%0.345SS*.EExtended strand (participates in β ladder)trans-7193.3178.4-64.8-175.6177.6-169.6-2.1108.2E37E37-R77 HydrophobicContact CB-CB 4.03Å; E37-R77 WeakPolarHBondContact CB-O 3.15Å; E37-R77 HydrophobicContact CG-CB 4.13Å
78V91.6Very high89.7Confident40 Ų4074.3 Ų74.324%0.24235%0.346CS..SBendtrans-86.2-38.4170.6-179.80000109.3E37 F40 L71 R76E37-V78 PolarHBondContact N-O 3.48Å; F40-V78 HydrophobicContact CE1-CG1 3.48Å; F40-V78 VanDerWaalsContact CE1-CG1 3.48Å; F40-V78 HydrophobicContact CZ-CG1 3.73Å; L71-V78 HydrophobicContact CD2-CG1 4.47Å; R76-V78 VanDerWaalsContact C-N 3.33Å; R76-V78 PolarHBondContact O-N 2.82Å
79V93.1Very high89.7Confident3 Ų381 Ų812%0.01838%0.378CS..EExtended strand (participates in β ladder)trans-138.1141.7177.4179.30000109.3R35 F40 M63 L71R35-V79 CarbonylContact O-C 3.52Å; R35-V79 WeakPolarHBondContact O-CA 3.49Å; F40-V79 HydrophobicContact CZ-CG2 3.8Å; M63-V79 HydrophobicContact CE-CG1 4.28Å; M63-V79 HydrophobicContact CE-CG2 3.81Å; M63-V79 HydrophobicContact SD-CG1 3.97Å; M63-V79 HydrophobicContact SD-CG2 3.97Å; L71-V79 HydrophobicContact CB-CB 4.49Å; L71-V79 HydrophobicContact CB-CG2 3.92Å; L71-V79 HydrophobicContact CD1-CG2 3.92Å
80S92.4Very high89.7Confident36 Ų3681.5 Ų81.525%0.25239%0.394SS..EExtended strand (participates in β ladder)trans-105.713616359.30000109.8S34 R35 E37S34-S80 CarbonylContact C-O 3.58Å; S34-S80 VanDerWaalsContact CA-O 3.31Å; S34-S80 WeakPolarHBondContact CA-O 3.49Å; R35-S80 WeakPolarHBondContact CB-OG 3.31Å; R35-S80 PolarHBondContact N-O 2.85Å; R35-S80 PolarHBondContact O-N 3.44Å; R35-S80 PolarHBondContact O-OG 2.83Å; E37-S80 VanDerWaalsContact OE1-CB 3.31Å; E37-S80 WeakPolarHBondContact OE1-CB 3.32Å; E37-S80 PolarHBondContact OE1-OG 3.44Å
81V93.9Very high89.8Confident33 Ų3382.5 Ų82.520%0.238%0.377CS..EExtended strand (participates in β ladder)trans-98.7125.6179.4177.30000108.5L32 A68 F121L32-V81 HydrophobicContact CB-CG1 4.29Å; L32-V81 HydrophobicContact CD1-CG1 3.99Å; A68-V81 HydrophobicContact CB-CG2 4.17Å; V81-F121 HydrophobicContact CB-CD1 4.23Å; V81-F121 HydrophobicContact CB-CD2 4.22Å; V81-F121 HydrophobicContact CB-CE2 4.49Å; V81-F121 HydrophobicContact CB-CG 4.08Å; V81-F121 HydrophobicContact CG1-CD2 3.98Å; V81-F121 HydrophobicContact CG1-CE2 4.1Å; V81-F121 HydrophobicContact CG1-CG 4.35Å; V81-F121 HydrophobicContact CG2-CD1 3.74Å; V81-F121 HydrophobicContact CG2-CD2 4.29Å; V81-F121 HydrophobicContact CG2-CE1 3.63Å; V81-F121 HydrophobicContact CG2-CE2 4.19Å; V81-F121 HydrophobicContact CG2-CG 4.08Å; V81-F121 HydrophobicContact CG2-CZ 3.87Å
82E92.9Very high89.9Confident68 Ų6881.3 Ų81.332%0.31837%0.369SS..PPolyproline II helixtrans-86.7146.9171.7-63.6-172.9-174.100109.7P33 K60 P84P33-E82 HydrophobicContact CB-CB 4.19Å; P33-E82 HydrophobicContact CG-CB 4.1Å; P33-E82 WeakPolarHBondContact CG-O 3.41Å; P33-E82 PolarHBondContact O-N 3.27Å; K60-E82 IonicContact NZ-OE1 3.9Å; K60-E82 PolarHBondContact NZ-OE1 3.2Å; E82-P84 WeakPolarHBondContact O-CD 3.34Å
83L92.4Very high90.2Very high28 Ų2882.4 Ų82.415%0.14738%0.381CS..PPolyproline II helixtrans-68126.3177.3-81.2156000111.1K88 L118 E125 I129L83-K88 WeakPolarHBondContact O-CE 3.32Å; L83-L118 HydrophobicContact CD2-CD1 4.42Å; L83-E125 HydrophobicContact CD1-CB 4.18Å; L83-E125 HydrophobicContact CD1-CG 4.36Å; L83-E125 WeakPolarHBondContact CD1-OE1 3.24Å; L83-I129 HydrophobicContact CD1-CD1 4.35Å; L83-I129 HydrophobicContact CD2-CD1 3.32Å; L83-I129 HydrophobicContact CD2-CG1 4.49Å; L83-I129 HydrophobicContact CG-CD1 4.47Å
84P93.8Very high90.7Very high18 Ų1880.5 Ų80.512%0.11738%0.376CS..PPolyproline II helixtrans-56.8148.3170.8-2332.6000111.2L32 E82 V86 Y87 L118L32-P84 HydrophobicContact CD2-CG 3.55Å; E82-P84 WeakPolarHBondContact O-CD 3.34Å; P84-V86 PolarHBondContact O-N 3.29Å; P84-Y87 HydrophobicContact CB-CD2 4.01Å; P84-Y87 HydrophobicContact CB-CE2 4.42Å; P84-Y87 HydrophobicContact CG-CD2 4.15Å; P84-Y87 HydrophobicContact CG-CE2 4.45Å; P84-Y87 PolarHBondContact O-N 3.42Å; P84-L118 HydrophobicContact CG-CD1 4.27Å
85K92.1Very high91.5Very high162 Ų16272.5 Ų72.570%0.70435%0.346SS*.G310 helixtrans-52.5-35.9-174.1-65.2-176.9-177.1176.40113Y87 K88K85-Y87 PolarHBondContact O-N 3.02Å; K85-K88 WeakPolarHBondContact O-CB 3.46Å; K85-K88 PolarHBondContact O-N 3.3Å
86V93.7Very high92.2Very high17 Ų1768.6 Ų68.610%0.10333%0.334CS..G310 helixtrans-64.1-24.7-176.9-165.50000113P84 W91 F95 M107 Y111P84-V86 PolarHBondContact O-N 3.29Å; V86-W91 WeakPolarHBondContact O-CB 3.47Å; V86-F95 HydrophobicContact CG1-CE2 3.97Å; V86-F95 HydrophobicContact CG1-CZ 4.1Å; V86-M107 HydrophobicContact CB-CE 4.19Å; V86-M107 HydrophobicContact CG1-CB 4.31Å; V86-M107 HydrophobicContact CG1-CE 3.8Å; V86-M107 HydrophobicContact CG2-CB 4.36Å; V86-M107 HydrophobicContact CG2-CE 3.67Å; V86-Y111 HydrophobicContact CG1-CD2 3.81Å; V86-Y111 HydrophobicContact CG1-CE2 3.78Å
87Y94.6Very high93.1Very high5 Ų564.2 Ų64.22%0.0234%0.337CS..G310 helixtrans-100.6-2.3179.5-58.1-75.8000113.5P84 K85 R92 Y111 L114 G115 L118 I129 V133P84-Y87 HydrophobicContact CB-CD2 4.01Å; P84-Y87 HydrophobicContact CB-CE2 4.42Å; P84-Y87 HydrophobicContact CG-CD2 4.15Å; P84-Y87 HydrophobicContact CG-CE2 4.45Å; P84-Y87 PolarHBondContact O-N 3.42Å; K85-Y87 PolarHBondContact O-N 3.02Å; Y87-R92 WeakPolarHBondContact O-CD 3.31Å; Y87-R92 PolarHBondContact O-NE 2.74Å; Y87-Y111 HydrophobicContact CD1-CE2 4.05Å; Y87-Y111 AromaticContact CE1-CD2 3.8Å; Y87-Y111 HydrophobicContact CE1-CD2 3.8Å; Y87-Y111 AromaticContact CE1-CE2 3.44Å; Y87-Y111 HydrophobicContact CE1-CE2 3.44Å; Y87-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y87-Y111 AromaticContact CZ-CD2 3.86Å; Y87-Y111 AromaticContact CZ-CE2 3.98Å; Y87-Y111 PolarHBondContact OH-O 3.04Å; Y87-L114 HydrophobicContact CE2-CD2 3.78Å; Y87-L114 HydrophobicContact CE2-CG 4.08Å; Y87-L114 WeakPolarHBondContact OH-CB 3.3Å; Y87-G115 VanDerWaalsContact CE1-CA 3.5Å; Y87-G115 PolarHBondContact OH-N 2.89Å; Y87-L118 HydrophobicContact CD1-CD1 4.46Å; Y87-L118 HydrophobicContact CD2-CD1 3.35Å; Y87-L118 HydrophobicContact CE2-CD1 3.54Å; Y87-L118 HydrophobicContact CG-CD1 3.86Å; Y87-I129 HydrophobicContact CD1-CG2 4.02Å; Y87-V133 HydrophobicContact CE1-CG2 4.15Å
88K94.3Very high93.8Very high96 Ų9658 Ų5842%0.41732%0.318SS..SBendtrans-70.2158.2175.6-63.9-169.7178.5-168.70111L83 K85 G90 W91 R92L83-K88 WeakPolarHBondContact O-CE 3.32Å; K85-K88 WeakPolarHBondContact O-CB 3.46Å; K85-K88 PolarHBondContact O-N 3.3Å; K88-G90 VanDerWaalsContact C-N 3.27Å; K88-G90 PolarHBondContact O-N 2.7Å; K88-G90 VanDerWaalsContact O-N 3.14Å; K88-W91 PolarHBondContact O-N 2.85Å; K88-R92 PolarHBondContact O-N 3.01Å; K88-R92 VanDerWaalsContact O-N 3.1Å
89E94.1Very high93.9Very high141 Ų14156.8 Ų56.866%0.65931%0.311SS*.Hα-helixtrans-45.9-46.5-178.9-165.1178.7174.100113.9W91 R92 T93E89-W91 VanDerWaalsContact C-N 3.26Å; E89-W91 PolarHBondContact O-N 3.28Å; E89-R92 VanDerWaalsContact CA-NH2 3.31Å; E89-R92 PolarHBondContact O-N 3.49Å; E89-R92 VanDerWaalsContact O-N 3.09Å; E89-T93 PolarHBondContact O-N 3.45Å
90G94Very high93.9Very high51 Ų5158 Ų5853%0.52632%0.318SS..Hα-helixtrans-61.2-29.2-179.100000114.7K88 T93 V94K88-G90 VanDerWaalsContact C-N 3.27Å; K88-G90 PolarHBondContact O-N 2.7Å; K88-G90 VanDerWaalsContact O-N 3.14Å; G90-T93 PolarHBondContact O-OG1 3.28Å; G90-V94 WeakPolarHBondContact O-CG2 3.32Å
91W94.7Very high93.8Very high89 Ų8960.5 Ų60.534%0.33733%0.332SS..Hα-helixtrans-86.8-31.9173.4-85.298.8000112.1V86 K88 E89 T93 V94 F95 V102 M107V86-W91 WeakPolarHBondContact O-CB 3.47Å; K88-W91 PolarHBondContact O-N 2.85Å; E89-W91 VanDerWaalsContact C-N 3.26Å; E89-W91 PolarHBondContact O-N 3.28Å; W91-T93 VanDerWaalsContact C-N 3.27Å; W91-T93 PolarHBondContact O-N 3.47Å; W91-V94 HydrophobicContact CE3-CB 4.26Å; W91-V94 HydrophobicContact CE3-CG1 4.29Å; W91-V94 HydrophobicContact CZ3-CG1 4.26Å; W91-V94 WeakPolarHBondContact O-CB 3.35Å; W91-V94 PolarHBondContact O-N 3.46Å; W91-V94 VanDerWaalsContact O-N 3.12Å; W91-F95 HydrophobicContact CB-CE2 4.31Å; W91-F95 HydrophobicContact CE3-CE2 4.38Å; W91-F95 WeakPolarHBondContact O-CD2 3.48Å; W91-F95 PolarHBondContact O-N 3.31Å; W91-V102 HydrophobicContact CZ3-CG1 4.3Å; W91-M107 HydrophobicContact CD2-CE 3.62Å; W91-M107 HydrophobicContact CE3-CE 3.72Å; W91-M107 HydrophobicContact CG-CE 4.44Å; W91-M107 HydrophobicContact CH2-CE 3.42Å; W91-M107 VanDerWaalsContact CH2-CE 3.42Å; W91-M107 HydrophobicContact CH2-SD 3.9Å; W91-M107 HydrophobicContact CZ2-CE 3.31Å; W91-M107 HydrophobicContact CZ2-SD 4.04Å; W91-M107 HydrophobicContact CZ3-CE 3.63Å; W91-M107 HydrophobicContact CZ3-SD 4.42Å
92R94.4Very high93.8Very high26 Ų2659.4 Ų59.410%0.09833%0.325CS..Hα-helixtrans-60.2-37173.5-68.2-179-70-179.80111.9Y87 K88 E89 F95 N96 E125 A132Y87-R92 WeakPolarHBondContact O-CD 3.31Å; Y87-R92 PolarHBondContact O-NE 2.74Å; K88-R92 PolarHBondContact O-N 3.01Å; K88-R92 VanDerWaalsContact O-N 3.1Å; E89-R92 VanDerWaalsContact CA-NH2 3.31Å; E89-R92 PolarHBondContact O-N 3.49Å; E89-R92 VanDerWaalsContact O-N 3.09Å; R92-F95 PolarHBondContact O-N 2.91Å; R92-N96 WeakPolarHBondContact O-CB 3.45Å; R92-N96 VanDerWaalsContact O-CG 3.23Å; R92-N96 PolarHBondContact O-N 3.32Å; R92-N96 PolarHBondContact O-ND2 3.23Å; R92-E125 IonicContact CZ-OE2 3.43Å; R92-E125 VanDerWaalsContact CZ-OE2 3.25Å; R92-E125 IonicContact NH1-OE2 2.66Å; R92-E125 PolarHBondContact NH1-OE2 3.36Å; R92-E125 IonicContact NH2-OE2 3.03Å; R92-E125 PolarHBondContact NH2-OE2 3.44Å; R92-A132 HydrophobicContact CG-CB 3.96Å
93T95.4Very high93.9Very high80 Ų8057.6 Ų57.649%0.49132%0.318SS..Hα-helixtrans-66-37.717456.60000112.6E89 G90 W91 N96 A97E89-T93 PolarHBondContact O-N 3.45Å; G90-T93 PolarHBondContact O-OG1 3.28Å; W91-T93 VanDerWaalsContact C-N 3.27Å; W91-T93 PolarHBondContact O-N 3.47Å; T93-N96 PolarHBondContact O-N 3.13Å; T93-A97 PolarHBondContact O-N 2.93Å
94V95.1Very high94Very high57 Ų5756.2 Ų56.235%0.34531%0.311SS..Hα-helixtrans-63.4-47.4174.51760000110.8G90 W91 N96 A97 D98 V102G90-V94 WeakPolarHBondContact O-CG2 3.32Å; W91-V94 HydrophobicContact CE3-CB 4.26Å; W91-V94 HydrophobicContact CE3-CG1 4.29Å; W91-V94 HydrophobicContact CZ3-CG1 4.26Å; W91-V94 WeakPolarHBondContact O-CB 3.35Å; W91-V94 PolarHBondContact O-N 3.46Å; W91-V94 VanDerWaalsContact O-N 3.12Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.12Å; V94-A97 PolarHBondContact O-N 3.41Å; V94-A97 VanDerWaalsContact O-N 3.16Å; V94-D98 PolarHBondContact O-N 3.02Å; V94-V102 HydrophobicContact CG1-CG2 3.93Å
95F94.7Very high93.9Very high4 Ų458.8 Ų58.82%0.01832%0.321CS..Hα-helixtrans-63.6-35.5176.9-72.1-60.5000112.9V86 W91 R92 A97 P99 V102 L104 Y111 T136V86-F95 HydrophobicContact CG1-CE2 3.97Å; V86-F95 HydrophobicContact CG1-CZ 4.1Å; W91-F95 HydrophobicContact CB-CE2 4.31Å; W91-F95 HydrophobicContact CE3-CE2 4.38Å; W91-F95 WeakPolarHBondContact O-CD2 3.48Å; W91-F95 PolarHBondContact O-N 3.31Å; R92-F95 PolarHBondContact O-N 2.91Å; F95-A97 VanDerWaalsContact C-N 3.32Å; F95-P99 HydrophobicContact CD1-CB 4.31Å; F95-P99 VanDerWaalsContact O-CD 3.3Å; F95-P99 WeakPolarHBondContact O-CD 3.44Å; F95-V102 HydrophobicContact CD1-CB 4.44Å; F95-V102 HydrophobicContact CD1-CG2 4.05Å; F95-V102 HydrophobicContact CE1-CB 3.84Å; F95-V102 HydrophobicContact CE1-CG1 3.66Å; F95-V102 HydrophobicContact CE1-CG2 3.85Å; F95-V102 HydrophobicContact CZ-CG1 4.02Å; F95-L104 HydrophobicContact CE1-CD2 3.66Å; F95-L104 HydrophobicContact CZ-CD2 3.96Å; F95-Y111 AromaticContact CE2-CE2 3.78Å; F95-Y111 HydrophobicContact CE2-CE2 3.78Å; F95-Y111 AromaticContact CE2-CZ 3.88Å; F95-Y111 HydrophobicContact CZ-CD2 4.43Å; F95-Y111 AromaticContact CZ-CE2 3.88Å; F95-Y111 HydrophobicContact CZ-CE2 3.88Å; F95-Y111 AromaticContact CZ-CZ 3.99Å; F95-T136 HydrophobicContact CD1-CG2 3.81Å; F95-T136 HydrophobicContact CE1-CG2 4.16Å; F95-T136 HydrophobicContact CG-CG2 4.48Å
96N93.6Very high93.9Very high113 Ų11359.3 Ų59.360%0.60432%0.323SS*.Hα-helixtrans-68.7-29.8174.7-76.3-18.2000113R92 T93 V94R92-N96 WeakPolarHBondContact O-CB 3.45Å; R92-N96 VanDerWaalsContact O-CG 3.23Å; R92-N96 PolarHBondContact O-N 3.32Å; R92-N96 PolarHBondContact O-ND2 3.23Å; T93-N96 PolarHBondContact O-N 3.13Å; V94-N96 VanDerWaalsContact C-N 3.31Å; V94-N96 PolarHBondContact O-N 3.12Å
97A95.3Very high93.6Very high87 Ų8761.3 Ų61.372%0.71933%0.332SS*.Hα-helixtrans-74.3-56179.500000111.8T93 V94 F95T93-A97 PolarHBondContact O-N 2.93Å; V94-A97 PolarHBondContact O-N 3.41Å; V94-A97 VanDerWaalsContact O-N 3.16Å; F95-A97 VanDerWaalsContact C-N 3.32Å
98D94Very high93.2Very high63 Ų6361.9 Ų61.934%0.33734%0.34SS..  trans-158.7108.3171.3-176.8-7.6000109.7V94 T100 V101V94-D98 PolarHBondContact O-N 3.02Å; D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 2.88Å; D98-T100 WeakPolarHBondContact OD1-CA 3.34Å; D98-T100 VanDerWaalsContact OD1-CB 3.31Å; D98-T100 WeakPolarHBondContact OD1-CB 3.3Å; D98-T100 PolarHBondContact OD1-N 3.43Å; D98-T100 PolarHBondContact OD1-OG1 2.78Å; D98-T100 PolarHBondContact OD2-OG1 3.28Å; D98-V101 HydrophobicContact CB-CG2 4.17Å; D98-V101 VanDerWaalsContact O-CG2 3.28Å; D98-V101 WeakPolarHBondContact O-CG2 3.14Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.11Å
99P93.8Very high93Very high16 Ų1659.4 Ų59.410%0.10433%0.333CS..G310 helixtrans-74.4-17-179.930.8-34.1000112.5F95 V102 T136 R140F95-P99 HydrophobicContact CD1-CB 4.31Å; F95-P99 VanDerWaalsContact O-CD 3.3Å; F95-P99 WeakPolarHBondContact O-CD 3.44Å; P99-V102 PolarHBondContact O-N 3.11Å; P99-T136 HydrophobicContact CB-CG2 3.81Å; P99-R140 HydrophobicContact CB-CG 3.83Å; P99-R140 HydrophobicContact CG-CG 4.02Å; P99-R140 WeakPolarHBondContact O-CD 3.29Å; P99-R140 PolarHBondContact O-NH1 3.46Å
100T92.4Very high93Very high27 Ų2754.1 Ų54.117%0.16631%0.308CS..G310 helixtrans-77.4-21-173.875.80000113.7D98 V102 R140 R143D98-T100 VanDerWaalsContact C-N 3.26Å; D98-T100 PolarHBondContact O-N 2.88Å; D98-T100 WeakPolarHBondContact OD1-CA 3.34Å; D98-T100 VanDerWaalsContact OD1-CB 3.31Å; D98-T100 WeakPolarHBondContact OD1-CB 3.3Å; D98-T100 PolarHBondContact OD1-N 3.43Å; D98-T100 PolarHBondContact OD1-OG1 2.78Å; D98-T100 PolarHBondContact OD2-OG1 3.28Å; T100-V102 VanDerWaalsContact C-N 3.33Å; T100-R140 HydrophobicContact CG2-CG 4.22Å; T100-R143 PolarHBondContact OG1-NH1 3.22Å
101V91.3Very high93.1Very high89 Ų8952 Ų5254%0.53928%0.283SS..G310 helixtrans-82.1-12.9176.4-63.50000112.9D98 R162D98-V101 HydrophobicContact CB-CG2 4.17Å; D98-V101 VanDerWaalsContact O-CG2 3.28Å; D98-V101 WeakPolarHBondContact O-CG2 3.14Å; D98-V101 WeakPolarHBondContact OD2-CG1 3.11Å; V101-R162 PolarHBondContact O-NH2 3.22Å
102V93.4Very high93.2Very high11 Ų1147.9 Ų47.97%0.06727%0.268CS..SBendtrans-81.6136.8179.4-173.80000110.6W91 V94 F95 P99 T100 L104 M107 R140W91-V102 HydrophobicContact CZ3-CG1 4.3Å; V94-V102 HydrophobicContact CG1-CG2 3.93Å; F95-V102 HydrophobicContact CD1-CB 4.44Å; F95-V102 HydrophobicContact CD1-CG2 4.05Å; F95-V102 HydrophobicContact CE1-CB 3.84Å; F95-V102 HydrophobicContact CE1-CG1 3.66Å; F95-V102 HydrophobicContact CE1-CG2 3.85Å; F95-V102 HydrophobicContact CZ-CG1 4.02Å; P99-V102 PolarHBondContact O-N 3.11Å; T100-V102 VanDerWaalsContact C-N 3.33Å; V102-L104 HydrophobicContact CG1-CD2 4.25Å; V102-L104 PolarHBondContact O-N 3.08Å; V102-M107 HydrophobicContact CG1-CG 4.35Å; V102-R140 PolarHBondContact O-NH1 3.36Å
103D94.8Very high93.2Very high29 Ų2946.9 Ų46.916%0.15527%0.265CS..  trans-88.395.4170.6-174.1-22000108.7H105 K106 M107D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 PolarHBondContact O-N 3.05Å; D103-H105 PolarHBondContact OD1-N 3.39Å; D103-K106 HydrophobicContact CB-CB 4.43Å; D103-K106 HydrophobicContact CB-CD 4.4Å; D103-K106 PolarHBondContact OD1-N 3.42Å; D103-K106 WeakPolarHBondContact OD2-CD 3.01Å; D103-K106 WeakPolarHBondContact OD2-CE 3.29Å; D103-K106 WeakPolarHBondContact OD2-CG 3.4Å; D103-K106 IonicContact OD2-NZ 2.8Å; D103-K106 PolarHBondContact OD2-NZ 3.01Å; D103-M107 VanDerWaalsContact O-CG 3.29Å; D103-M107 WeakPolarHBondContact O-CG 3.47Å; D103-M107 PolarHBondContact O-N 3.21Å
104L94.5Very high93.2Very high0 Ų043.7 Ų43.70%025%0.246CC..Hα-helixtrans-66.9-33.9-177-68.7-178.4000111.2F95 V102 K106 M107 G108 Y111 Y112 R162 D164F95-L104 HydrophobicContact CE1-CD2 3.66Å; F95-L104 HydrophobicContact CZ-CD2 3.96Å; V102-L104 HydrophobicContact CG1-CD2 4.25Å; V102-L104 PolarHBondContact O-N 3.08Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.95Å; L104-M107 PolarHBondContact O-N 3.27Å; L104-M107 VanDerWaalsContact O-N 3.12Å; L104-G108 CarbonylContact O-C 3.54Å; L104-G108 PolarHBondContact O-N 3.11Å; L104-G108 VanDerWaalsContact O-N 3.16Å; L104-Y111 HydrophobicContact CD1-CD1 4.45Å; L104-Y111 HydrophobicContact CD2-CD1 4.06Å; L104-Y111 HydrophobicContact CD2-CG 4Å; L104-Y112 HydrophobicContact CD1-CE2 3.95Å; L104-Y112 WeakPolarHBondContact CD1-OH 3.43Å; L104-R162 PolarHBondContact N-O 2.94Å; L104-D164 HydrophobicContact CB-CB 4.18Å; L104-D164 HydrophobicContact CD1-CB 3.96Å
105H92.8Very high93.2Very high72 Ų7241 Ų4133%0.33323%0.23SC..Hα-helixtrans-62.1-40.1-178.3-166.660.4000112.7D103 M107 E161 R168D103-H105 VanDerWaalsContact C-N 3.28Å; D103-H105 PolarHBondContact O-N 3.05Å; D103-H105 PolarHBondContact OD1-N 3.39Å; H105-M107 VanDerWaalsContact C-N 3.34Å; H105-E161 WeakPolarHBondContact CB-O 3.33Å; H105-E161 PolarHBondContact CD2-O 2.95Å; H105-E161 VanDerWaalsContact CG-O 3.31Å; H105-R168 PolarHBondContact CD2-NH2 2.75Å; H105-R168 VanDerWaalsContact CD2-NH2 3.3Å; H105-R168 PolarHBondContact CE1-NH1 3.23Å; H105-R168 PolarHBondContact CE1-NH2 3.45Å; H105-R168 VanDerWaalsContact CE1-NH2 3.33Å; H105-R168 PolarHBondContact ND1-NH2 3.12Å; H105-R168 PolarHBondContact NE2-NH2 2.65Å
106K91.3Very high93.2Very high173 Ų17341.7 Ų41.775%0.75224%0.235SC*.Hα-helixtrans-71.4-27.5176.3-72.8-177.8-172.9160.50113.9D103 L104 G108D103-K106 HydrophobicContact CB-CB 4.43Å; D103-K106 HydrophobicContact CB-CD 4.4Å; D103-K106 PolarHBondContact OD1-N 3.42Å; D103-K106 WeakPolarHBondContact OD2-CD 3.01Å; D103-K106 WeakPolarHBondContact OD2-CE 3.29Å; D103-K106 WeakPolarHBondContact OD2-CG 3.4Å; D103-K106 IonicContact OD2-NZ 2.8Å; D103-K106 PolarHBondContact OD2-NZ 3.01Å; L104-K106 VanDerWaalsContact C-N 3.33Å; L104-K106 PolarHBondContact O-N 2.95Å; K106-G108 VanDerWaalsContact C-N 3.31Å
107M87.5Confident93.3Very high59 Ų5936.4 Ų36.429%0.29121%0.206SC..Hα-helixtrans-81.5-16.4-178.8-64.8-66.2-7700112.6V86 W91 V102 D103 L104 H105V86-M107 HydrophobicContact CB-CE 4.19Å; V86-M107 HydrophobicContact CG1-CB 4.31Å; V86-M107 HydrophobicContact CG1-CE 3.8Å; V86-M107 HydrophobicContact CG2-CB 4.36Å; V86-M107 HydrophobicContact CG2-CE 3.67Å; W91-M107 HydrophobicContact CD2-CE 3.62Å; W91-M107 HydrophobicContact CE3-CE 3.72Å; W91-M107 HydrophobicContact CG-CE 4.44Å; W91-M107 HydrophobicContact CH2-CE 3.42Å; W91-M107 VanDerWaalsContact CH2-CE 3.42Å; W91-M107 HydrophobicContact CH2-SD 3.9Å; W91-M107 HydrophobicContact CZ2-CE 3.31Å; W91-M107 HydrophobicContact CZ2-SD 4.04Å; W91-M107 HydrophobicContact CZ3-CE 3.63Å; W91-M107 HydrophobicContact CZ3-SD 4.42Å; V102-M107 HydrophobicContact CG1-CG 4.35Å; D103-M107 VanDerWaalsContact O-CG 3.29Å; D103-M107 WeakPolarHBondContact O-CG 3.47Å; D103-M107 PolarHBondContact O-N 3.21Å; L104-M107 PolarHBondContact O-N 3.27Å; L104-M107 VanDerWaalsContact O-N 3.12Å; H105-M107 VanDerWaalsContact C-N 3.34Å
108G86.3Confident93.2Very high17 Ų1732.5 Ų32.518%0.17517%0.173CC..  trans140.3116.7-175.200000107.6L104 K106 Y110 Y111L104-G108 CarbonylContact O-C 3.54Å; L104-G108 PolarHBondContact O-N 3.11Å; L104-G108 VanDerWaalsContact O-N 3.16Å; K106-G108 VanDerWaalsContact C-N 3.31Å; G108-Y110 PolarHBondContact O-N 3.48Å; G108-Y111 PolarHBondContact O-N 2.88Å
109P89.9Confident93.2Very high43 Ų4331.5 Ų31.528%0.27917%0.168SC..THydrogen-bonded Turntrans-66.1-3.2-171.827.2-35000114.6D164 Y165P109-D164 VanDerWaalsContact O-OD1 3.05Å; P109-Y165 WeakPolarHBondContact O-CB 3.36Å; P109-Y165 PolarHBondContact O-N 2.74Å
110Y94.6Very high93.1Very high31 Ų3133.6 Ų33.612%0.12218%0.176CC..THydrogen-bonded Turntrans-125.343.1179.5-58.9-81.7000112.8D23 L26 L27 G108 Y112 G113 L114 D164 Y165D23-Y110 HydrophobicContact CB-CE1 4.25Å; L26-Y110 HydrophobicContact CB-CE2 4.13Å; L26-Y110 WeakPolarHBondContact CB-OH 3.4Å; L26-Y110 WeakPolarHBondContact CD1-OH 3.37Å; L27-Y110 HydrophobicContact CB-CD1 4.22Å; L27-Y110 HydrophobicContact CB-CD2 4.38Å; L27-Y110 HydrophobicContact CB-CG 4.08Å; L27-Y110 HydrophobicContact CD1-CG 4.24Å; G108-Y110 PolarHBondContact O-N 3.48Å; Y110-Y112 VanDerWaalsContact C-N 3.33Å; Y110-Y112 PolarHBondContact O-N 3.44Å; Y110-G113 PolarHBondContact O-N 3.22Å; Y110-G113 VanDerWaalsContact O-N 3.16Å; Y110-L114 VanDerWaalsContact O-CB 3.31Å; Y110-L114 WeakPolarHBondContact O-CB 3.35Å; Y110-L114 PolarHBondContact O-N 3.18Å; Y110-D164 VanDerWaalsContact C-OD1 3.26Å; Y110-D164 VanDerWaalsContact CA-OD1 3.27Å; Y110-D164 WeakPolarHBondContact CA-OD1 3.47Å; Y110-D164 PolarHBondContact N-OD1 3.22Å; Y110-Y165 HydrophobicContact CD1-CG 4.49Å; Y110-Y165 HydrophobicContact CE1-CD1 4.15Å; Y110-Y165 HydrophobicContact CE1-CD2 4.42Å; Y110-Y165 AromaticContact CE1-CG 3.86Å; Y110-Y165 HydrophobicContact CE1-CG 3.86Å
111Y95.4Very high93.1Very high5 Ų532.9 Ų32.92%0.0217%0.171CC..Hα-helixtrans-52.1-45.8-179.4171.9-101.6000113.3V86 Y87 F95 L104 G108 G115 V133 T136 D164V86-Y111 HydrophobicContact CG1-CD2 3.81Å; V86-Y111 HydrophobicContact CG1-CE2 3.78Å; Y87-Y111 HydrophobicContact CD1-CE2 4.05Å; Y87-Y111 AromaticContact CE1-CD2 3.8Å; Y87-Y111 HydrophobicContact CE1-CD2 3.8Å; Y87-Y111 AromaticContact CE1-CE2 3.44Å; Y87-Y111 HydrophobicContact CE1-CE2 3.44Å; Y87-Y111 VanDerWaalsContact CE1-CE2 3.44Å; Y87-Y111 AromaticContact CZ-CD2 3.86Å; Y87-Y111 AromaticContact CZ-CE2 3.98Å; Y87-Y111 PolarHBondContact OH-O 3.04Å; F95-Y111 AromaticContact CE2-CE2 3.78Å; F95-Y111 HydrophobicContact CE2-CE2 3.78Å; F95-Y111 AromaticContact CE2-CZ 3.88Å; F95-Y111 HydrophobicContact CZ-CD2 4.43Å; F95-Y111 AromaticContact CZ-CE2 3.88Å; F95-Y111 HydrophobicContact CZ-CE2 3.88Å; F95-Y111 AromaticContact CZ-CZ 3.99Å; L104-Y111 HydrophobicContact CD1-CD1 4.45Å; L104-Y111 HydrophobicContact CD2-CD1 4.06Å; L104-Y111 HydrophobicContact CD2-CG 4Å; G108-Y111 PolarHBondContact O-N 2.88Å; Y111-G115 PolarHBondContact O-N 2.96Å; Y111-G115 VanDerWaalsContact O-N 3.09Å; Y111-V133 HydrophobicContact CE1-CG2 4.41Å; Y111-T136 HydrophobicContact CD1-CG2 4.46Å; Y111-T136 HydrophobicContact CE1-CG2 3.77Å; Y111-D164 PolarHBondContact N-OD1 2.89Å
112Y95.9Very high93Very high4 Ų432.9 Ų32.92%0.01617%0.168CC..Hα-helixtrans-70.7-41.1-180-55.8-67.4000111.6V13 L104 Y110 S116 V133 T136 F137 D164 L166 E167V13-Y112 VanDerWaalsContact CG1-O 3.22Å; V13-Y112 WeakPolarHBondContact CG1-O 3.27Å; L104-Y112 HydrophobicContact CD1-CE2 3.95Å; L104-Y112 WeakPolarHBondContact CD1-OH 3.43Å; Y110-Y112 VanDerWaalsContact C-N 3.33Å; Y110-Y112 PolarHBondContact O-N 3.44Å; Y112-S116 PolarHBondContact O-N 2.89Å; Y112-S116 PolarHBondContact O-OG 2.88Å; Y112-V133 HydrophobicContact CD1-CG1 3.91Å; Y112-T136 HydrophobicContact CE1-CG2 4.12Å; Y112-F137 HydrophobicContact CD1-CB 4.17Å; Y112-F137 HydrophobicContact CE1-CB 3.65Å; Y112-F137 HydrophobicContact CE1-CD2 4.33Å; Y112-F137 HydrophobicContact CE1-CG 4.5Å; Y112-F137 HydrophobicContact CE2-CD2 4.42Å; Y112-D164 HydrophobicContact CD2-CB 3.83Å; Y112-D164 VanDerWaalsContact CD2-CG 3.43Å; Y112-D164 VanDerWaalsContact CD2-OD2 3.3Å; Y112-D164 WeakPolarHBondContact CD2-OD2 3.36Å; Y112-D164 HydrophobicContact CE2-CB 3.62Å; Y112-L166 HydrophobicContact CD2-CB 4.24Å; Y112-L166 HydrophobicContact CD2-CD2 4.38Å; Y112-E167 HydrophobicContact CE2-CG 3.85Å; Y112-E167 PolarHBondContact OH-OE1 2.75Å
113G95.1Very high92.9Very high4 Ų433.9 Ų33.94%0.04118%0.175CC..Hα-helixtrans-60.7-59.9177.100000111.6Y110 G115 S116 Q117Y110-G113 PolarHBondContact O-N 3.22Å; Y110-G113 VanDerWaalsContact O-N 3.16Å; G113-G115 VanDerWaalsContact C-N 3.29Å; G113-G115 PolarHBondContact O-N 3.18Å; G113-S116 WeakPolarHBondContact O-CB 3.48Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-S116 VanDerWaalsContact O-N 3.08Å; G113-Q117 WeakPolarHBondContact O-CG 3.34Å; G113-Q117 PolarHBondContact O-N 3.33Å
114L95.4Very high92.7Very high14 Ų1438 Ų387%0.07320%0.204CC..Hα-helixtrans-56.8-43180-176.665.7000111.7L27 E30 L32 L65 Y87 Y110 S116 Q117 L118L27-L114 HydrophobicContact CD1-CB 3.75Å; L27-L114 HydrophobicContact CD1-CD1 4.26Å; E30-L114 WeakPolarHBondContact OE2-CD2 3.41Å; L32-L114 HydrophobicContact CD2-CD1 3.97Å; L65-L114 HydrophobicContact CD2-CD1 4.09Å; Y87-L114 HydrophobicContact CE2-CD2 3.78Å; Y87-L114 HydrophobicContact CE2-CG 4.08Å; Y87-L114 WeakPolarHBondContact OH-CB 3.3Å; Y110-L114 VanDerWaalsContact O-CB 3.31Å; Y110-L114 WeakPolarHBondContact O-CB 3.35Å; Y110-L114 PolarHBondContact O-N 3.18Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.98Å; L114-Q117 PolarHBondContact O-N 2.78Å; L114-Q117 VanDerWaalsContact O-N 3.11Å; L114-L118 WeakPolarHBondContact O-CG 3.22Å; L114-L118 PolarHBondContact O-N 3.03Å
115G95.4Very high92.7Very high1 Ų141.1 Ų41.11%0.0122%0.218CC..Hα-helixtrans-60-37.6178.400000112.9Y87 Y111 G113Y87-G115 VanDerWaalsContact CE1-CA 3.5Å; Y87-G115 PolarHBondContact OH-N 2.89Å; Y111-G115 PolarHBondContact O-N 2.96Å; Y111-G115 VanDerWaalsContact O-N 3.09Å; G113-G115 VanDerWaalsContact C-N 3.29Å; G113-G115 PolarHBondContact O-N 3.18Å
116S95.3Very high92.7Very high18 Ų1839 Ų3913%0.12621%0.209CC..Hα-helixtrans-73.4-37.5175.2-56.40000111.8V13 G14 Y112 G113 L114 L118 L119V13-S116 WeakPolarHBondContact CG1-OG 3.46Å; G14-S116 VanDerWaalsContact O-CB 3.29Å; G14-S116 WeakPolarHBondContact O-CB 3.21Å; Y112-S116 PolarHBondContact O-N 2.89Å; Y112-S116 PolarHBondContact O-OG 2.88Å; G113-S116 WeakPolarHBondContact O-CB 3.48Å; G113-S116 PolarHBondContact O-N 3.46Å; G113-S116 VanDerWaalsContact O-N 3.08Å; L114-S116 VanDerWaalsContact C-N 3.27Å; L114-S116 PolarHBondContact O-N 2.98Å; S116-L118 VanDerWaalsContact C-N 3.33Å; S116-L118 PolarHBondContact O-N 3.21Å; S116-L119 WeakPolarHBondContact O-CB 3.22Å; S116-L119 WeakPolarHBondContact O-CG 3.14Å; S116-L119 PolarHBondContact O-N 3.16Å
117Q95Very high92.9Very high1 Ų134.8 Ų34.81%0.00520%0.2CC..Hα-helixtrans-69-30.4177.8-62.7-53.6-21.400113.1G14 M15 E17 L27 L65 G113 L114 L119 H120G14-Q117 PolarHBondContact O-NE2 3.18Å; G14-Q117 VanDerWaalsContact O-NE2 3.08Å; M15-Q117 PolarHBondContact O-OE1 3.01Å; E17-Q117 VanDerWaalsContact CG-NE2 3.25Å; E17-Q117 VanDerWaalsContact OE1-CD 3.22Å; E17-Q117 PolarHBondContact OE1-OE1 3.18Å; L27-Q117 HydrophobicContact CD2-CG 3.86Å; L65-Q117 HydrophobicContact CD1-CB 4.27Å; L65-Q117 HydrophobicContact CD2-CB 3.63Å; L65-Q117 HydrophobicContact CD2-CG 3.92Å; G113-Q117 WeakPolarHBondContact O-CG 3.34Å; G113-Q117 PolarHBondContact O-N 3.33Å; L114-Q117 PolarHBondContact O-N 2.78Å; L114-Q117 VanDerWaalsContact O-N 3.11Å; Q117-L119 PolarHBondContact O-N 3.39Å; Q117-H120 WeakPolarHBondContact O-CB 3.44Å; Q117-H120 PolarHBondContact O-N 3.38Å; Q117-H120 PolarHBondContact O-ND1 2.9Å; Q117-H120 PolarHBondContact OE1-CE1 3.33Å; Q117-H120 PolarHBondContact OE1-ND1 3.33Å
118L94.1Very high93.3Very high6 Ų636.2 Ų36.23%0.03121%0.205CC..G310 helixtrans-61.1-24.3174.7-75.3172.8000113.1L32 L83 P84 Y87 L114 S116 H120 F121L32-L118 HydrophobicContact CD1-CD2 4.07Å; L32-L118 HydrophobicContact CD2-CD2 4.01Å; L83-L118 HydrophobicContact CD2-CD1 4.42Å; P84-L118 HydrophobicContact CG-CD1 4.27Å; Y87-L118 HydrophobicContact CD1-CD1 4.46Å; Y87-L118 HydrophobicContact CD2-CD1 3.35Å; Y87-L118 HydrophobicContact CE2-CD1 3.54Å; Y87-L118 HydrophobicContact CG-CD1 3.86Å; L114-L118 WeakPolarHBondContact O-CG 3.22Å; L114-L118 PolarHBondContact O-N 3.03Å; S116-L118 VanDerWaalsContact C-N 3.33Å; S116-L118 PolarHBondContact O-N 3.21Å; L118-H120 PolarHBondContact O-N 3.3Å; L118-H120 VanDerWaalsContact O-N 3.11Å; L118-F121 HydrophobicContact CD2-CD2 4.08Å; L118-F121 HydrophobicContact CD2-CE2 4.24Å; L118-F121 WeakPolarHBondContact O-CD2 3.48Å; L118-F121 PolarHBondContact O-N 3.5Å
119L93.6Very high93.7Very high42 Ų4235.4 Ų35.422%0.2220%0.197CC..G310 helixtrans-66-11.2177.9-54.5179000113.4M15 S116 Q117 N126 A130M15-L119 HydrophobicContact CE-CB 4.17Å; M15-L119 HydrophobicContact CG-CB 4.33Å; M15-L119 HydrophobicContact SD-CB 3.98Å; S116-L119 WeakPolarHBondContact O-CB 3.22Å; S116-L119 WeakPolarHBondContact O-CG 3.14Å; S116-L119 PolarHBondContact O-N 3.16Å; Q117-L119 PolarHBondContact O-N 3.39Å; L119-N126 HydrophobicContact CD2-CB 3.89Å; L119-A130 HydrophobicContact CD1-CB 4.27Å; L119-A130 HydrophobicContact CD2-CB 4.4Å
120H92.1Very high94Very high60 Ų6035.4 Ų35.428%0.27820%0.201SC..G310 helixtrans-68.6-25.8170.3-71.186.3000112.8M15 Y72 Q117 L118M15-H120 HydrophobicContact CE-CB 4.29Å; M15-H120 PolarHBondContact O-CE1 3.16Å; M15-H120 PolarHBondContact O-NE2 3.12Å; Y72-H120 WeakPolarHBondContact CE1-O 3.42Å; Q117-H120 WeakPolarHBondContact O-CB 3.44Å; Q117-H120 PolarHBondContact O-N 3.38Å; Q117-H120 PolarHBondContact O-ND1 2.9Å; Q117-H120 PolarHBondContact OE1-CE1 3.33Å; Q117-H120 PolarHBondContact OE1-ND1 3.33Å; L118-H120 PolarHBondContact O-N 3.3Å; L118-H120 VanDerWaalsContact O-N 3.11Å
121F92.4Very high94.1Very high12 Ų1239.9 Ų39.95%0.05322%0.223CC..SBendtrans-90.2128.2178.5-51.4-64000108.7L32 L65 A68 K69 Y72 V81 L118 S123 N126L32-F121 HydrophobicContact CD1-CE2 3.76Å; L32-F121 HydrophobicContact CD1-CZ 4.21Å; L65-F121 HydrophobicContact CD1-CE2 3.91Å; L65-F121 HydrophobicContact CD1-CZ 4.06Å; A68-F121 HydrophobicContact CB-CE1 4.44Å; A68-F121 HydrophobicContact CB-CZ 4.04Å; K69-F121 HydrophobicContact CG-CE1 4.41Å; K69-F121 HydrophobicContact CG-CZ 3.93Å; Y72-F121 AromaticContact CD1-CD1 3.87Å; Y72-F121 HydrophobicContact CD1-CD1 3.87Å; Y72-F121 HydrophobicContact CD1-CE1 4.38Å; Y72-F121 AromaticContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CD1 3.65Å; Y72-F121 HydrophobicContact CD2-CE1 4.25Å; Y72-F121 HydrophobicContact CE1-CD1 4.27Å; Y72-F121 HydrophobicContact CE2-CB 4.5Å; Y72-F121 HydrophobicContact CE2-CD1 4.07Å; Y72-F121 AromaticContact CG-CD1 3.54Å; Y72-F121 HydrophobicContact CG-CD1 3.54Å; Y72-F121 AromaticContact CG-CE1 3.88Å; Y72-F121 HydrophobicContact CG-CE1 3.88Å; V81-F121 HydrophobicContact CB-CD1 4.23Å; V81-F121 HydrophobicContact CB-CD2 4.22Å; V81-F121 HydrophobicContact CB-CE2 4.49Å; V81-F121 HydrophobicContact CB-CG 4.08Å; V81-F121 HydrophobicContact CG1-CD2 3.98Å; V81-F121 HydrophobicContact CG1-CE2 4.1Å; V81-F121 HydrophobicContact CG1-CG 4.35Å; V81-F121 HydrophobicContact CG2-CD1 3.74Å; V81-F121 HydrophobicContact CG2-CD2 4.29Å; V81-F121 HydrophobicContact CG2-CE1 3.63Å; V81-F121 HydrophobicContact CG2-CE2 4.19Å; V81-F121 HydrophobicContact CG2-CG 4.08Å; V81-F121 HydrophobicContact CG2-CZ 3.87Å; L118-F121 HydrophobicContact CD2-CD2 4.08Å; L118-F121 HydrophobicContact CD2-CE2 4.24Å; L118-F121 WeakPolarHBondContact O-CD2 3.48Å; L118-F121 PolarHBondContact O-N 3.5Å; F121-S123 PolarHBondContact O-N 3.27Å; F121-N126 PolarHBondContact O-ND2 3.35Å
122D89.1Confident94.1Very high89 Ų8940 Ų4048%0.47622%0.224SC..  trans-67.4108.8176.8-63.6-24000109.2Y72 R74Y72-D122 VanDerWaalsContact OH-CB 3.24Å; Y72-D122 WeakPolarHBondContact OH-CB 3.12Å; Y72-D122 PolarHBondContact OH-N 3.19Å; Y72-D122 PolarHBondContact OH-OD2 2.99Å; R74-D122 WeakPolarHBondContact CD-OD2 3.29Å; R74-D122 WeakPolarHBondContact CG-OD2 2.98Å; R74-D122 IonicContact CZ-OD1 2.89Å; R74-D122 VanDerWaalsContact CZ-OD1 3.31Å; R74-D122 IonicContact CZ-OD2 3.31Å; R74-D122 IonicContact NE-OD1 3.25Å; R74-D122 PolarHBondContact NE-OD1 3.27Å; R74-D122 IonicContact NE-OD2 3.61Å; R74-D122 PolarHBondContact NE-OD2 3.03Å; R74-D122 IonicContact NH2-OD1 3.33Å; R74-D122 PolarHBondContact NH2-OD1 3.46Å
123S89.8Confident94.1Very high32 Ų3240.3 Ų40.322%0.22423%0.227CC..  trans-135.1139.8174.7173.50000109.4F121 E125 N126F121-S123 PolarHBondContact O-N 3.27Å; S123-E125 PolarHBondContact O-N 2.91Å; S123-E125 PolarHBondContact OG-N 2.73Å; S123-N126 WeakPolarHBondContact CB-OD1 3.41Å; S123-N126 PolarHBondContact N-ND2 3.19Å; S123-N126 WeakPolarHBondContact O-CB 3.4Å; S123-N126 VanDerWaalsContact O-CG 3.26Å; S123-N126 PolarHBondContact O-N 2.93Å; S123-N126 PolarHBondContact O-ND2 3Å
124P91.8Very high94.1Very high116 Ų11644.7 Ų44.775%0.75325%0.249SC*.THydrogen-bonded Turntrans-63-20.6175.527.7-35.1000112.6N126 P127P124-N126 VanDerWaalsContact C-N 3.35Å; P124-P127 WeakPolarHBondContact O-CD 3.41Å
125E92.9Very high94.2Very high65 Ų6548.3 Ų48.330%0.30427%0.265SS..THydrogen-bonded Turntrans-87.40.5-178.3-60.8-174.5-124.600113.9L83 R92 S123 P127 E128 I129L83-E125 HydrophobicContact CD1-CB 4.18Å; L83-E125 HydrophobicContact CD1-CG 4.36Å; L83-E125 WeakPolarHBondContact CD1-OE1 3.24Å; R92-E125 IonicContact CZ-OE2 3.43Å; R92-E125 VanDerWaalsContact CZ-OE2 3.25Å; R92-E125 IonicContact NH1-OE2 2.66Å; R92-E125 PolarHBondContact NH1-OE2 3.36Å; R92-E125 IonicContact NH2-OE2 3.03Å; R92-E125 PolarHBondContact NH2-OE2 3.44Å; S123-E125 PolarHBondContact O-N 2.91Å; S123-E125 PolarHBondContact OG-N 2.73Å; E125-P127 VanDerWaalsContact C-CD 3.45Å; E125-E128 VanDerWaalsContact C-OE2 3.24Å; E125-E128 VanDerWaalsContact CA-OE2 3.22Å; E125-E128 WeakPolarHBondContact CA-OE2 3.22Å; E125-E128 PolarHBondContact O-N 3.48Å; E125-I129 HydrophobicContact CB-CD1 4.13Å; E125-I129 WeakPolarHBondContact O-CD1 3.43Å; E125-I129 WeakPolarHBondContact O-CG1 3.5Å; E125-I129 PolarHBondContact O-N 2.8Å
126N94.3Very high94.3Very high28 Ų2848.3 Ų48.315%0.1527%0.265CS..Hα-helixtrans-54.4-44.5-179.7-77.8-5.8000114.8L119 F121 S123 P124 E128 I129 A130L119-N126 HydrophobicContact CD2-CB 3.89Å; F121-N126 PolarHBondContact O-ND2 3.35Å; S123-N126 WeakPolarHBondContact CB-OD1 3.41Å; S123-N126 PolarHBondContact N-ND2 3.19Å; S123-N126 WeakPolarHBondContact O-CB 3.4Å; S123-N126 VanDerWaalsContact O-CG 3.26Å; S123-N126 PolarHBondContact O-N 2.93Å; S123-N126 PolarHBondContact O-ND2 3Å; P124-N126 VanDerWaalsContact C-N 3.35Å; N126-E128 VanDerWaalsContact C-N 3.35Å; N126-E128 PolarHBondContact O-N 3.27Å; N126-I129 PolarHBondContact O-N 3.48Å; N126-A130 WeakPolarHBondContact O-CB 3.1Å; N126-A130 PolarHBondContact O-N 3.28Å
127P95.5Very high94.3Very high84 Ų8450.1 Ų50.155%0.54527%0.271SS..Hα-helixtrans-65.4-39179.520.7-25.2000112P124 E125 A130 Q131P124-P127 WeakPolarHBondContact O-CD 3.41Å; E125-P127 VanDerWaalsContact C-CD 3.45Å; P127-A130 PolarHBondContact O-N 2.78Å; P127-Q131 WeakPolarHBondContact O-CB 3.48Å; P127-Q131 PolarHBondContact O-N 3.09Å
128E95.5Very high94.4Very high88 Ų8854.5 Ų54.541%0.41129%0.293SS..Hα-helixtrans-69.3-35.5176.9-63.179.3-172.200111.9E125 N126 A132E125-E128 VanDerWaalsContact C-OE2 3.24Å; E125-E128 VanDerWaalsContact CA-OE2 3.22Å; E125-E128 WeakPolarHBondContact CA-OE2 3.22Å; E125-E128 PolarHBondContact O-N 3.48Å; N126-E128 VanDerWaalsContact C-N 3.35Å; N126-E128 PolarHBondContact O-N 3.27Å; E128-A132 VanDerWaalsContact O-CB 3.25Å; E128-A132 WeakPolarHBondContact O-CB 3.25Å; E128-A132 PolarHBondContact O-N 3.41Å
129I95.6Very high94.5Very high1 Ų156 Ų561%0.00531%0.311CS..Hα-helixtrans-65-49.7174.3-67.7161.3000110.1L83 Y87 E125 N126 Q131 A132 V133L83-I129 HydrophobicContact CD1-CD1 4.35Å; L83-I129 HydrophobicContact CD2-CD1 3.32Å; L83-I129 HydrophobicContact CD2-CG1 4.49Å; L83-I129 HydrophobicContact CG-CD1 4.47Å; Y87-I129 HydrophobicContact CD1-CG2 4.02Å; E125-I129 HydrophobicContact CB-CD1 4.13Å; E125-I129 WeakPolarHBondContact O-CD1 3.43Å; E125-I129 WeakPolarHBondContact O-CG1 3.5Å; E125-I129 PolarHBondContact O-N 2.8Å; N126-I129 PolarHBondContact O-N 3.48Å; I129-Q131 VanDerWaalsContact C-N 3.28Å; I129-Q131 PolarHBondContact O-N 2.94Å; I129-A132 PolarHBondContact O-N 3.16Å; I129-V133 HydrophobicContact CG2-CG2 4.31Å; I129-V133 VanDerWaalsContact O-CG2 3.28Å; I129-V133 WeakPolarHBondContact O-CG2 3.32Å; I129-V133 PolarHBondContact O-N 3.05Å
130A95.4Very high94.6Very high43 Ų4354.6 Ų54.636%0.35530%0.302SS..Hα-helixtrans-58.1-4317800000111.3L119 N126 P127 L134L119-A130 HydrophobicContact CD1-CB 4.27Å; L119-A130 HydrophobicContact CD2-CB 4.4Å; N126-A130 WeakPolarHBondContact O-CB 3.1Å; N126-A130 PolarHBondContact O-N 3.28Å; P127-A130 PolarHBondContact O-N 2.78Å; A130-L134 WeakPolarHBondContact O-CB 3.21Å; A130-L134 PolarHBondContact O-N 2.95Å; A130-L134 VanDerWaalsContact O-N 3.07Å
131Q95.9Very high94.8Very high125 Ų12555.9 Ų55.958%0.58431%0.307SS*.Hα-helixtrans-64-46175.4-173.9175.88.200112P127 I129 V133 L134 Q135P127-Q131 WeakPolarHBondContact O-CB 3.48Å; P127-Q131 PolarHBondContact O-N 3.09Å; I129-Q131 VanDerWaalsContact C-N 3.28Å; I129-Q131 PolarHBondContact O-N 2.94Å; Q131-V133 PolarHBondContact O-N 3.31Å; Q131-L134 PolarHBondContact O-N 3.19Å; Q131-Q135 HydrophobicContact CG-CG 4.22Å; Q131-Q135 WeakPolarHBondContact O-CB 3.48Å; Q131-Q135 VanDerWaalsContact O-CG 3.32Å; Q131-Q135 WeakPolarHBondContact O-CG 3.47Å; Q131-Q135 PolarHBondContact O-N 3.31Å
132A95.9Very high94.8Very high6 Ų664 Ų645%0.0534%0.337CS..Hα-helixtrans-61.9-44.4179.800000111.9R92 E128 I129 L134 Q135 T136R92-A132 HydrophobicContact CG-CB 3.96Å; E128-A132 VanDerWaalsContact O-CB 3.25Å; E128-A132 WeakPolarHBondContact O-CB 3.25Å; E128-A132 PolarHBondContact O-N 3.41Å; I129-A132 PolarHBondContact O-N 3.16Å; A132-L134 PolarHBondContact O-N 2.63Å; A132-Q135 PolarHBondContact O-N 3.08Å; A132-T136 VanDerWaalsContact O-CB 3.27Å; A132-T136 WeakPolarHBondContact O-CB 3.28Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.39Å
133V96.1Very high95Very high12 Ų1265.3 Ų65.37%0.07334%0.336CS..Hα-helixtrans-59.3-47.5176.1172.10000110.5Y87 Y111 Y112 I129 Q131 T136 F137Y87-V133 HydrophobicContact CE1-CG2 4.15Å; Y111-V133 HydrophobicContact CE1-CG2 4.41Å; Y112-V133 HydrophobicContact CD1-CG1 3.91Å; I129-V133 HydrophobicContact CG2-CG2 4.31Å; I129-V133 VanDerWaalsContact O-CG2 3.28Å; I129-V133 WeakPolarHBondContact O-CG2 3.32Å; I129-V133 PolarHBondContact O-N 3.05Å; Q131-V133 PolarHBondContact O-N 3.31Å; V133-T136 PolarHBondContact O-N 3.3Å; V133-F137 PolarHBondContact O-N 3.2Å; V133-F137 VanDerWaalsContact O-N 3.09Å
134L95.9Very high95.2Very high96 Ų9664.3 Ų64.350%0.50333%0.328SS..Hα-helixtrans-62.5-48.9178.4178.261.4000112.4A130 Q131 A132 T136 F137 I138A130-L134 WeakPolarHBondContact O-CB 3.21Å; A130-L134 PolarHBondContact O-N 2.95Å; A130-L134 VanDerWaalsContact O-N 3.07Å; Q131-L134 PolarHBondContact O-N 3.19Å; A132-L134 PolarHBondContact O-N 2.63Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 PolarHBondContact O-N 3.2Å; L134-F137 PolarHBondContact O-N 2.96Å; L134-I138 HydrophobicContact CD1-CD1 3.95Å; L134-I138 HydrophobicContact CD1-CG1 4.33Å; L134-I138 HydrophobicContact CG-CD1 3.92Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.15Å
135Q96.8Very high95.3Very high89 Ų8962.9 Ų62.942%0.41631%0.313SS..Hα-helixtrans-65.8-37.3-179.4-68.4-55.4-48.500112Q131 A132 F137 I138 G139Q131-Q135 HydrophobicContact CG-CG 4.22Å; Q131-Q135 WeakPolarHBondContact O-CB 3.48Å; Q131-Q135 VanDerWaalsContact O-CG 3.32Å; Q131-Q135 WeakPolarHBondContact O-CG 3.47Å; Q131-Q135 PolarHBondContact O-N 3.31Å; A132-Q135 PolarHBondContact O-N 3.08Å; Q135-F137 VanDerWaalsContact C-N 3.34Å; Q135-F137 PolarHBondContact O-N 3.19Å; Q135-I138 PolarHBondContact O-N 3.06Å; Q135-G139 PolarHBondContact O-N 3.47Å
136T96.6Very high95.3Very high1 Ų163 Ų631%0.00632%0.315CS..Hα-helixtrans-59.3-46.8174.2-57.50000110.6F95 P99 Y111 Y112 A132 V133 L134 G139 R140F95-T136 HydrophobicContact CD1-CG2 3.81Å; F95-T136 HydrophobicContact CE1-CG2 4.16Å; F95-T136 HydrophobicContact CG-CG2 4.48Å; P99-T136 HydrophobicContact CB-CG2 3.81Å; Y111-T136 HydrophobicContact CD1-CG2 4.46Å; Y111-T136 HydrophobicContact CE1-CG2 3.77Å; Y112-T136 HydrophobicContact CE1-CG2 4.12Å; A132-T136 VanDerWaalsContact O-CB 3.27Å; A132-T136 WeakPolarHBondContact O-CB 3.28Å; A132-T136 PolarHBondContact O-N 3.27Å; A132-T136 PolarHBondContact O-OG1 3.39Å; V133-T136 PolarHBondContact O-N 3.3Å; L134-T136 VanDerWaalsContact C-N 3.33Å; L134-T136 PolarHBondContact O-N 3.2Å; T136-G139 PolarHBondContact O-N 2.62Å; T136-R140 WeakPolarHBondContact O-CB 3.42Å; T136-R140 WeakPolarHBondContact O-CG 3.47Å; T136-R140 PolarHBondContact O-N 3.05Å; T136-R140 VanDerWaalsContact O-N 3.12Å
137F96.5Very high95.2Very high57 Ų5763.3 Ų63.325%0.2532%0.319CS..Hα-helixtrans-61.9-49.5177.9178.5-105.5000111.5Y112 V133 L134 Q135 G139 R140 F141 L166 L170Y112-F137 HydrophobicContact CD1-CB 4.17Å; Y112-F137 HydrophobicContact CE1-CB 3.65Å; Y112-F137 HydrophobicContact CE1-CD2 4.33Å; Y112-F137 HydrophobicContact CE1-CG 4.5Å; Y112-F137 HydrophobicContact CE2-CD2 4.42Å; V133-F137 PolarHBondContact O-N 3.2Å; V133-F137 VanDerWaalsContact O-N 3.09Å; L134-F137 PolarHBondContact O-N 2.96Å; Q135-F137 VanDerWaalsContact C-N 3.34Å; Q135-F137 PolarHBondContact O-N 3.19Å; F137-G139 VanDerWaalsContact C-N 3.35Å; F137-G139 PolarHBondContact O-N 3.35Å; F137-R140 PolarHBondContact O-N 3.47Å; F137-F141 HydrophobicContact CE1-CD2 4.17Å; F137-F141 HydrophobicContact CE2-CD2 4.39Å; F137-F141 AromaticContact CZ-CD2 3.75Å; F137-F141 HydrophobicContact CZ-CD2 3.75Å; F137-F141 HydrophobicContact CZ-CE2 4.36Å; F137-F141 VanDerWaalsContact O-CB 3.31Å; F137-F141 WeakPolarHBondContact O-CB 3.37Å; F137-F141 PolarHBondContact O-N 3.16Å; F137-L166 HydrophobicContact CD2-CD2 3.9Å; F137-L166 HydrophobicContact CE2-CD2 3.37Å; F137-L166 HydrophobicContact CZ-CD2 4.27Å; F137-L170 HydrophobicContact CE2-CD1 3.9Å; F137-L170 HydrophobicContact CZ-CD1 4.01Å
138I96.5Very high95.2Very high93 Ų9359.4 Ų59.448%0.47730%0.295SS..Hα-helixtrans-57.7-47.1178.8-68.9169000111L134 Q135 R140 F141L134-I138 HydrophobicContact CD1-CD1 3.95Å; L134-I138 HydrophobicContact CD1-CG1 4.33Å; L134-I138 HydrophobicContact CG-CD1 3.92Å; L134-I138 WeakPolarHBondContact O-CG1 3.43Å; L134-I138 PolarHBondContact O-N 3.15Å; Q135-I138 PolarHBondContact O-N 3.06Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 PolarHBondContact O-N 3.18Å; I138-F141 PolarHBondContact O-N 2.97Å
139G96.2Very high95Very high38 Ų3859 Ų5939%0.39229%0.292SS..Hα-helixtrans-64.2-31.8-178.400000113.4Q135 T136 F137Q135-G139 PolarHBondContact O-N 3.47Å; T136-G139 PolarHBondContact O-N 2.62Å; F137-G139 VanDerWaalsContact C-N 3.35Å; F137-G139 PolarHBondContact O-N 3.35Å
140R96.3Very high94.8Very high12 Ų1264.7 Ų64.75%0.04532%0.323CS..Hα-helixtrans-89.8-24.5179.8-66.2175.261.797.2-4.3113.5P99 T100 V102 T136 F137 I138 R142 R143 T144 R162 E167P99-R140 HydrophobicContact CB-CG 3.83Å; P99-R140 HydrophobicContact CG-CG 4.02Å; P99-R140 WeakPolarHBondContact O-CD 3.29Å; P99-R140 PolarHBondContact O-NH1 3.46Å; T100-R140 HydrophobicContact CG2-CG 4.22Å; V102-R140 PolarHBondContact O-NH1 3.36Å; T136-R140 WeakPolarHBondContact O-CB 3.42Å; T136-R140 WeakPolarHBondContact O-CG 3.47Å; T136-R140 PolarHBondContact O-N 3.05Å; T136-R140 VanDerWaalsContact O-N 3.12Å; F137-R140 PolarHBondContact O-N 3.47Å; I138-R140 VanDerWaalsContact C-N 3.28Å; I138-R140 PolarHBondContact O-N 3.18Å; R140-R142 PolarHBondContact O-N 3.25Å; R140-R143 PolarHBondContact O-N 3.12Å; R140-T144 PolarHBondContact O-N 2.97Å; R140-T144 VanDerWaalsContact O-N 3.1Å; R140-T144 PolarHBondContact O-OG1 3.41Å; R140-R162 PolarHBondContact NH2-O 3.48Å; R140-E167 WeakPolarHBondContact CD-OE1 3.3Å; R140-E167 IonicContact CZ-OE1 3.68Å; R140-E167 IonicContact CZ-OE2 3.71Å; R140-E167 IonicContact NE-OE1 2.75Å; R140-E167 PolarHBondContact NE-OE1 3.03Å; R140-E167 IonicContact NE-OE2 2.89Å; R140-E167 PolarHBondContact NE-OE2 3.38Å; R140-E167 IonicContact NH2-OE1 3.2Å; R140-E167 IonicContact NH2-OE2 2.74Å; R140-E167 PolarHBondContact NH2-OE2 2.9Å
141F95.3Very high94.5Very high87 Ų8763 Ų6338%0.38231%0.309SS..Hα-helixtrans-52.7-50.8-172.3178.9-104.8000113.2F137 I138 R143 T144 M145F137-F141 HydrophobicContact CE1-CD2 4.17Å; F137-F141 HydrophobicContact CE2-CD2 4.39Å; F137-F141 AromaticContact CZ-CD2 3.75Å; F137-F141 HydrophobicContact CZ-CD2 3.75Å; F137-F141 HydrophobicContact CZ-CE2 4.36Å; F137-F141 VanDerWaalsContact O-CB 3.31Å; F137-F141 WeakPolarHBondContact O-CB 3.37Å; F137-F141 PolarHBondContact O-N 3.16Å; I138-F141 PolarHBondContact O-N 2.97Å; F141-R143 PolarHBondContact O-N 3.37Å; F141-T144 PolarHBondContact O-N 2.92Å; F141-M145 HydrophobicContact CD1-CE 4.37Å; F141-M145 HydrophobicContact CE1-CE 3.45Å; F141-M145 VanDerWaalsContact CE1-CE 3.45Å; F141-M145 HydrophobicContact CZ-CE 3.8Å; F141-M145 WeakPolarHBondContact O-CB 3.49Å; F141-M145 PolarHBondContact O-N 2.92Å
142R93.6Very high94.1Very high182 Ų18259.7 Ų59.769%0.68729%0.292SS*.Hα-helixtrans-58.4-48.9-178.2179.8175.5177.6171.61.8111.8R140 T144 M145 D146R140-R142 PolarHBondContact O-N 3.25Å; R142-T144 PolarHBondContact O-N 3.14Å; R142-M145 PolarHBondContact O-N 3.25Å; R142-D146 VanDerWaalsContact CG-OD2 3.31Å; R142-D146 WeakPolarHBondContact CG-OD2 3.25Å; R142-D146 IonicContact NE-OD2 3.45Å; R142-D146 PolarHBondContact NE-OD2 3.37Å; R142-D146 WeakPolarHBondContact O-CB 3.33Å; R142-D146 VanDerWaalsContact O-CG 3.27Å; R142-D146 PolarHBondContact O-N 2.85Å
143R92.4Very high93.6Very high117 Ų11765.5 Ų65.544%0.44232%0.322SS..Hα-helixtrans-62-43.7-179.3-175.9176.3178.8172.10.4111.5T100 R140 F141 S147T100-R143 PolarHBondContact OG1-NH1 3.22Å; R140-R143 PolarHBondContact O-N 3.12Å; F141-R143 PolarHBondContact O-N 3.37Å; R143-S147 VanDerWaalsContact O-CB 3.24Å; R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.12Å; R143-S147 PolarHBondContact O-OG 3.09Å
144T94.3Very high93.2Very high11 Ų1171 Ų717%0.06735%0.347CS..Hα-helixtrans-62.6-45.7177.2-57.80000111.3R140 F141 R142 S148 L163 E167 F171R140-T144 PolarHBondContact O-N 2.97Å; R140-T144 VanDerWaalsContact O-N 3.1Å; R140-T144 PolarHBondContact O-OG1 3.41Å; F141-T144 PolarHBondContact O-N 2.92Å; R142-T144 PolarHBondContact O-N 3.14Å; T144-S148 WeakPolarHBondContact O-CB 3.43Å; T144-S148 PolarHBondContact O-N 3.32Å; T144-L163 HydrophobicContact CG2-CD1 4.34Å; T144-E167 HydrophobicContact CG2-CB 4.4Å; T144-F171 HydrophobicContact CG2-CB 4.28Å; T144-F171 HydrophobicContact CG2-CD2 4.36Å
145M93.7Very high92.9Very high86 Ų8673 Ų7342%0.42436%0.358SS..Hα-helixtrans-65.2-52.6179.2-167.7-133.5-67.900111.6F141 R142 S147 S148 Q149F141-M145 HydrophobicContact CD1-CE 4.37Å; F141-M145 HydrophobicContact CE1-CE 3.45Å; F141-M145 VanDerWaalsContact CE1-CE 3.45Å; F141-M145 HydrophobicContact CZ-CE 3.8Å; F141-M145 WeakPolarHBondContact O-CB 3.49Å; F141-M145 PolarHBondContact O-N 2.92Å; R142-M145 PolarHBondContact O-N 3.25Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.43Å; M145-S148 PolarHBondContact O-N 2.6Å; M145-S148 PolarHBondContact O-OG 3.09Å; M145-Q149 PolarHBondContact O-N 3.1Å; M145-Q149 VanDerWaalsContact O-N 3.09Å
146D93.3Very high92.6Very high67 Ų6770.6 Ų70.636%0.35835%0.349SS..Hα-helixtrans-56.4-45.7179.8-72.5-15.8000110.5R142 S148 Q149 N150R142-D146 VanDerWaalsContact CG-OD2 3.31Å; R142-D146 WeakPolarHBondContact CG-OD2 3.25Å; R142-D146 IonicContact NE-OD2 3.45Å; R142-D146 PolarHBondContact NE-OD2 3.37Å; R142-D146 WeakPolarHBondContact O-CB 3.33Å; R142-D146 VanDerWaalsContact O-CG 3.27Å; R142-D146 PolarHBondContact O-N 2.85Å; D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 PolarHBondContact O-N 2.66Å; D146-Q149 PolarHBondContact O-N 3Å; D146-N150 WeakPolarHBondContact O-CB 3.28Å; D146-N150 PolarHBondContact O-N 3.18Å; D146-N150 VanDerWaalsContact O-N 3.09Å; D146-N150 PolarHBondContact O-ND2 2.82Å
147S92.4Very high92.3Very high34 Ų3473.3 Ų73.324%0.23837%0.369CS..Hα-helixtrans-66.6-34.7178.7-52.40000112.3R143 M145 A151R143-S147 VanDerWaalsContact O-CB 3.24Å; R143-S147 WeakPolarHBondContact O-CB 3.39Å; R143-S147 PolarHBondContact O-N 3.12Å; R143-S147 PolarHBondContact O-OG 3.09Å; M145-S147 VanDerWaalsContact C-N 3.3Å; M145-S147 PolarHBondContact O-N 3.43Å; S147-A151 VanDerWaalsContact O-CB 3.23Å; S147-A151 WeakPolarHBondContact O-CB 3.44Å; S147-A151 PolarHBondContact O-N 3.26Å
148S94.1Very high91.9Very high3 Ų374 Ų742%0.02139%0.385CS..Hα-helixtrans-70.4-30.8179.477.30000113.5T144 M145 D146 F171 Q175T144-S148 WeakPolarHBondContact O-CB 3.43Å; T144-S148 PolarHBondContact O-N 3.32Å; M145-S148 PolarHBondContact O-N 2.6Å; M145-S148 PolarHBondContact O-OG 3.09Å; D146-S148 VanDerWaalsContact C-N 3.33Å; D146-S148 PolarHBondContact O-N 2.66Å; S148-F171 VanDerWaalsContact CA-CE2 3.46Å; S148-Q175 PolarHBondContact O-NE2 2.99Å; S148-Q175 VanDerWaalsContact O-NE2 3.1Å
149Q92.4Very high91.5Very high78 Ų7871.7 Ų71.736%0.36437%0.373SS..Hα-helixtrans-93-19-176.8-66.3-59.6-74.900113.2M145 D146 G174 L178M145-Q149 PolarHBondContact O-N 3.1Å; M145-Q149 VanDerWaalsContact O-N 3.09Å; D146-Q149 PolarHBondContact O-N 3Å; Q149-G174 PolarHBondContact NE2-O 3.36Å; Q149-L178 WeakPolarHBondContact O-CD1 3.23Å; Q149-L178 VanDerWaalsContact O-CD2 3.29Å; Q149-L178 WeakPolarHBondContact O-CD2 3.24Å
150N91.6Very high91.2Very high121 Ų12171.4 Ų71.465%0.64736%0.364SS*.Hα-helixtrans-109.5-7.2-175.1-65.5-69.5000114.3D146 Y152D146-N150 WeakPolarHBondContact O-CB 3.28Å; D146-N150 PolarHBondContact O-N 3.18Å; D146-N150 VanDerWaalsContact O-N 3.09Å; D146-N150 PolarHBondContact O-ND2 2.82Å; N150-Y152 PolarHBondContact O-N 3.5Å
151A88.9Confident91.1Very high9 Ų976.7 Ų76.77%0.07439%0.389CS..  trans-94.676.9178.300000111.4S147 E154 T156 Q175S147-A151 VanDerWaalsContact O-CB 3.23Å; S147-A151 WeakPolarHBondContact O-CB 3.44Å; S147-A151 PolarHBondContact O-N 3.26Å; A151-E154 HydrophobicContact CB-CB 4.27Å; A151-T156 HydrophobicContact CB-CG2 3.68Å; A151-Q175 PolarHBondContact O-NE2 2.98Å; A151-Q175 PolarHBondContact O-OE1 3.42Å
152Y86.8Confident91Very high54 Ų5477 Ų7721%0.21239%0.388CS..SBendtrans-90.6122.6177.3-175.4-104.7000111.5N150 E154 L178 N179 Q182 R186N150-Y152 PolarHBondContact O-N 3.5Å; Y152-E154 PolarHBondContact O-N 2.86Å; Y152-L178 HydrophobicContact CD2-CD2 4.29Å; Y152-L178 HydrophobicContact CD2-CG 4.18Å; Y152-N179 WeakPolarHBondContact CE2-OD1 3.32Å; Y152-Q182 HydrophobicContact CD2-CB 4.31Å; Y152-Q182 HydrophobicContact CD2-CG 3.82Å; Y152-Q182 HydrophobicContact CE2-CB 3.64Å; Y152-Q182 HydrophobicContact CE2-CG 3.66Å; Y152-Q182 HydrophobicContact CG-CG 4.4Å; Y152-R186 PolarHBondContact OH-NH1 3.23Å; Y152-R186 PolarHBondContact OH-NH2 3.49Å
153N85.1Confident91.1Very high128 Ų12868.6 Ų68.668%0.68436%0.356SS*.SBendtrans56.523.4-175.6-66.6-20.6000114.8
154E88.6Confident91.2Very high129 Ų12963.1 Ų63.160%0.60334%0.336SS*.SBendtrans-97.5156.8175.9-64.3-174.7171.100111.4A151 Y152 T156A151-E154 HydrophobicContact CB-CB 4.27Å; Y152-E154 PolarHBondContact O-N 2.86Å; E154-T156 PolarHBondContact O-N 3.46Å
155D89.3Confident91.2Very high138 Ų13866.1 Ų66.174%0.73835%0.346SS*.  trans-75.3106.4170.3-176.910.9000110.1S157D155-S157 WeakPolarHBondContact OD1-CB 3.28Å; D155-S157 PolarHBondContact OD1-N 3.39Å; D155-S157 PolarHBondContact OD1-OG 3.49Å
156T90.6Very high91.1Very high37 Ų3764.2 Ų64.223%0.22734%0.338CS..  trans-95.33.1-178.354.80000113.2A151 E154 A158 L159 V160 F171A151-T156 HydrophobicContact CB-CG2 3.68Å; E154-T156 PolarHBondContact O-N 3.46Å; T156-A158 PolarHBondContact O-N 3.17Å; T156-L159 WeakPolarHBondContact O-CB 3.36Å; T156-L159 PolarHBondContact O-N 3.35Å; T156-L159 VanDerWaalsContact O-N 3.14Å; T156-V160 WeakPolarHBondContact O-CG2 3.41Å; T156-V160 PolarHBondContact O-N 2.94Å; T156-F171 HydrophobicContact CG2-CE1 4.23Å; T156-F171 HydrophobicContact CG2-CZ 3.8Å
157S90.3Very high91.2Very high59 Ų5961.1 Ų61.141%0.41332%0.321SS..Hα-helixtrans-58.1-49.4-170.9-53.10000112.5D155 L159 V160 E161D155-S157 WeakPolarHBondContact OD1-CB 3.28Å; D155-S157 PolarHBondContact OD1-N 3.39Å; D155-S157 PolarHBondContact OD1-OG 3.49Å; S157-L159 PolarHBondContact O-N 3.08Å; S157-V160 PolarHBondContact O-N 3.31Å; S157-E161 VanDerWaalsContact O-CG 3.3Å; S157-E161 WeakPolarHBondContact O-CG 3.34Å; S157-E161 PolarHBondContact O-N 2.91Å
158A88.5Confident91.3Very high72 Ų7261.4 Ų61.460%0.59532%0.317SS*.Hα-helixtrans-62-28.8-179.200000113.6T156T156-A158 PolarHBondContact O-N 3.17Å
159L87.1Confident91.2Very high44 Ų4463.5 Ų63.523%0.2334%0.335CS..Hα-helixtrans-75.3-51.6175.4179.971.7000110.2T156 S157 E161 R162 L163 F171T156-L159 WeakPolarHBondContact O-CB 3.36Å; T156-L159 PolarHBondContact O-N 3.35Å; T156-L159 VanDerWaalsContact O-N 3.14Å; S157-L159 PolarHBondContact O-N 3.08Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 3.29Å; L159-R162 PolarHBondContact O-N 3.47Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; L159-F171 HydrophobicContact CD2-CD2 4.16Å; L159-F171 HydrophobicContact CD2-CE2 3.37Å; L159-F171 HydrophobicContact CD2-CZ 3.88Å
160V91.3Very high91.3Very high31 Ų3163.3 Ų63.319%0.18834%0.336CS..Hα-helixtrans-63.6-33.8-175174.40000111.9T156 S157 R162 L163 R168 F171T156-V160 WeakPolarHBondContact O-CG2 3.41Å; T156-V160 PolarHBondContact O-N 2.94Å; S157-V160 PolarHBondContact O-N 3.31Å; V160-R162 PolarHBondContact O-N 3.34Å; V160-R162 VanDerWaalsContact O-N 3.15Å; V160-L163 PolarHBondContact O-N 2.86Å; V160-L163 VanDerWaalsContact O-N 3.16Å; V160-R168 HydrophobicContact CG1-CG 4.08Å; V160-R168 PolarHBondContact O-NE 2.91Å; V160-R168 PolarHBondContact O-NH2 2.94Å; V160-R168 VanDerWaalsContact O-NH2 3.16Å; V160-F171 HydrophobicContact CG2-CD1 3.68Å; V160-F171 HydrophobicContact CG2-CE1 3.58Å; V160-F171 HydrophobicContact CG2-CG 4.38Å; V160-F171 HydrophobicContact CG2-CZ 4.22Å
161E93.2Very high91.5Very high123 Ų12357.8 Ų57.858%0.57531%0.306SS*.THydrogen-bonded Turntrans-56-30.8178.2-81.5174.8-171.900113.3H105 S157 L159 R168H105-E161 WeakPolarHBondContact CB-O 3.33Å; H105-E161 PolarHBondContact CD2-O 2.95Å; H105-E161 VanDerWaalsContact CG-O 3.31Å; S157-E161 VanDerWaalsContact O-CG 3.3Å; S157-E161 WeakPolarHBondContact O-CG 3.34Å; S157-E161 PolarHBondContact O-N 2.91Å; L159-E161 VanDerWaalsContact C-N 3.28Å; L159-E161 PolarHBondContact O-N 3.29Å; E161-R168 PolarHBondContact O-NH2 3.39Å
162R94.3Very high91.7Very high93 Ų9364 Ų6435%0.35133%0.328SS..THydrogen-bonded Turntrans-93.6-5.7-176.1-58.7177.665.7176.81.6114.5V101 L104 R140 L159 V160V101-R162 PolarHBondContact O-NH2 3.22Å; L104-R162 PolarHBondContact N-O 2.94Å; R140-R162 PolarHBondContact NH2-O 3.48Å; L159-R162 PolarHBondContact O-N 3.47Å; V160-R162 PolarHBondContact O-N 3.34Å; V160-R162 VanDerWaalsContact O-N 3.15Å
163L95.2Very high92.1Very high6 Ų664.6 Ų64.63%0.03134%0.344CS..SBendtrans-84.1144.6-175.7-63.2-176.7000111.3T144 L159 V160 E167 R168 F171T144-L163 HydrophobicContact CG2-CD1 4.34Å; L159-L163 WeakPolarHBondContact O-CG 3.48Å; V160-L163 PolarHBondContact O-N 2.86Å; V160-L163 VanDerWaalsContact O-N 3.16Å; L163-E167 WeakPolarHBondContact CA-OE2 3.47Å; L163-E167 HydrophobicContact CB-CB 3.84Å; L163-E167 HydrophobicContact CD1-CB 4.33Å; L163-E167 HydrophobicContact CD2-CB 4.14Å; L163-E167 WeakPolarHBondContact CD2-OE2 3.39Å; L163-E167 HydrophobicContact CG-CB 4.3Å; L163-R168 HydrophobicContact CB-CG 3.64Å; L163-R168 HydrophobicContact CD1-CG 4.46Å; L163-R168 PolarHBondContact O-NE 3.31Å; L163-F171 HydrophobicContact CD1-CB 4.06Å; L163-F171 HydrophobicContact CD1-CD2 4.28Å; L163-F171 HydrophobicContact CD1-CG 4.22Å
164D95.3Very high92.6Very high3 Ų359 Ų592%0.01632%0.316CS..  trans-63.2158.1164.2179.889.8000110.8L104 P109 Y110 Y111 Y112 L166 E167 R168L104-D164 HydrophobicContact CB-CB 4.18Å; L104-D164 HydrophobicContact CD1-CB 3.96Å; P109-D164 VanDerWaalsContact O-OD1 3.05Å; Y110-D164 VanDerWaalsContact C-OD1 3.26Å; Y110-D164 VanDerWaalsContact CA-OD1 3.27Å; Y110-D164 WeakPolarHBondContact CA-OD1 3.47Å; Y110-D164 PolarHBondContact N-OD1 3.22Å; Y111-D164 PolarHBondContact N-OD1 2.89Å; Y112-D164 HydrophobicContact CD2-CB 3.83Å; Y112-D164 VanDerWaalsContact CD2-CG 3.43Å; Y112-D164 VanDerWaalsContact CD2-OD2 3.3Å; Y112-D164 WeakPolarHBondContact CD2-OD2 3.36Å; Y112-D164 HydrophobicContact CE2-CB 3.62Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 3.14Å; D164-L166 WeakPolarHBondContact OD2-CB 3.42Å; D164-L166 PolarHBondContact OD2-N 3.17Å; D164-E167 HydrophobicContact CB-CB 4.42Å; D164-E167 HydrophobicContact CB-CG 4.3Å; D164-E167 PolarHBondContact N-OE2 2.82Å; D164-E167 VanDerWaalsContact N-OE2 3.12Å; D164-E167 WeakPolarHBondContact O-CB 3.49Å; D164-E167 PolarHBondContact O-N 2.74Å; D164-E167 VanDerWaalsContact O-N 3.09Å; D164-R168 VanDerWaalsContact O-CG 3.32Å; D164-R168 WeakPolarHBondContact O-CG 3.5Å; D164-R168 PolarHBondContact O-N 3.48Å
165Y92.4Very high92.9Very high73 Ų7354 Ų5429%0.28629%0.293SS..Hα-helixtrans-56.4-41178.6-169.4-89.4000113.8D23 P109 Y110 E167 R168 A169D23-Y165 HydrophobicContact CB-CD1 4.46Å; D23-Y165 HydrophobicContact CB-CE1 4.1Å; D23-Y165 WeakPolarHBondContact OD1-CE1 3.36Å; D23-Y165 PolarHBondContact OD1-OH 3.44Å; D23-Y165 WeakPolarHBondContact OD2-CE1 3.35Å; D23-Y165 PolarHBondContact OD2-OH 3.43Å; P109-Y165 WeakPolarHBondContact O-CB 3.36Å; P109-Y165 PolarHBondContact O-N 2.74Å; Y110-Y165 HydrophobicContact CD1-CG 4.49Å; Y110-Y165 HydrophobicContact CE1-CD1 4.15Å; Y110-Y165 HydrophobicContact CE1-CD2 4.42Å; Y110-Y165 AromaticContact CE1-CG 3.86Å; Y110-Y165 HydrophobicContact CE1-CG 3.86Å; Y165-E167 VanDerWaalsContact C-N 3.34Å; Y165-E167 PolarHBondContact O-N 2.81Å; Y165-R168 WeakPolarHBondContact O-CB 3.36Å; Y165-R168 PolarHBondContact O-N 2.98Å; Y165-A169 PolarHBondContact O-N 3.37Å
166L92.9Very high93.1Very high46 Ų4650.9 Ų50.924%0.24128%0.282CS..Hα-helixtrans-62.2-42.6175.3178.7148.4000111.2V13 Y112 F137 D164 R168 A169 L170V13-L166 HydrophobicContact CB-CD1 4.09Å; V13-L166 HydrophobicContact CG2-CD1 3.57Å; Y112-L166 HydrophobicContact CD2-CB 4.24Å; Y112-L166 HydrophobicContact CD2-CD2 4.38Å; F137-L166 HydrophobicContact CD2-CD2 3.9Å; F137-L166 HydrophobicContact CE2-CD2 3.37Å; F137-L166 HydrophobicContact CZ-CD2 4.27Å; D164-L166 VanDerWaalsContact C-N 3.31Å; D164-L166 PolarHBondContact O-N 3.14Å; D164-L166 WeakPolarHBondContact OD2-CB 3.42Å; D164-L166 PolarHBondContact OD2-N 3.17Å; L166-R168 VanDerWaalsContact C-N 3.35Å; L166-A169 PolarHBondContact O-N 3.41Å; L166-L170 HydrophobicContact CD2-CD1 3.83Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.23Å; L166-L170 VanDerWaalsContact O-N 3.08Å
167E95.3Very high93.3Very high2 Ų251 Ų511%0.00929%0.29CS..Hα-helixtrans-65-39.2176.1-72.4173.6165.600111.7Y112 R140 T144 L163 D164 Y165 A169 L170 F171Y112-E167 HydrophobicContact CE2-CG 3.85Å; Y112-E167 PolarHBondContact OH-OE1 2.75Å; R140-E167 WeakPolarHBondContact CD-OE1 3.3Å; R140-E167 IonicContact CZ-OE1 3.68Å; R140-E167 IonicContact CZ-OE2 3.71Å; R140-E167 IonicContact NE-OE1 2.75Å; R140-E167 PolarHBondContact NE-OE1 3.03Å; R140-E167 IonicContact NE-OE2 2.89Å; R140-E167 PolarHBondContact NE-OE2 3.38Å; R140-E167 IonicContact NH2-OE1 3.2Å; R140-E167 IonicContact NH2-OE2 2.74Å; R140-E167 PolarHBondContact NH2-OE2 2.9Å; T144-E167 HydrophobicContact CG2-CB 4.4Å; L163-E167 WeakPolarHBondContact CA-OE2 3.47Å; L163-E167 HydrophobicContact CB-CB 3.84Å; L163-E167 HydrophobicContact CD1-CB 4.33Å; L163-E167 HydrophobicContact CD2-CB 4.14Å; L163-E167 WeakPolarHBondContact CD2-OE2 3.39Å; L163-E167 HydrophobicContact CG-CB 4.3Å; D164-E167 HydrophobicContact CB-CB 4.42Å; D164-E167 HydrophobicContact CB-CG 4.3Å; D164-E167 PolarHBondContact N-OE2 2.82Å; D164-E167 VanDerWaalsContact N-OE2 3.12Å; D164-E167 WeakPolarHBondContact O-CB 3.49Å; D164-E167 PolarHBondContact O-N 2.74Å; D164-E167 VanDerWaalsContact O-N 3.09Å; Y165-E167 VanDerWaalsContact C-N 3.34Å; Y165-E167 PolarHBondContact O-N 2.81Å; E167-A169 VanDerWaalsContact C-N 3.34Å; E167-L170 PolarHBondContact O-N 3.16Å; E167-F171 VanDerWaalsContact O-CB 3.28Å; E167-F171 WeakPolarHBondContact O-CB 3.27Å; E167-F171 PolarHBondContact O-N 3.43Å
168R94.4Very high93.5Very high40 Ų4049.2 Ų49.215%0.15128%0.276CS..Hα-helixtrans-63.6-40.1175.3-69.3178.4173.7-171.42.7111.6H105 V160 E161 L163 D164 Y165 L166 F171 R172H105-R168 PolarHBondContact CD2-NH2 2.75Å; H105-R168 VanDerWaalsContact CD2-NH2 3.3Å; H105-R168 PolarHBondContact CE1-NH1 3.23Å; H105-R168 PolarHBondContact CE1-NH2 3.45Å; H105-R168 VanDerWaalsContact CE1-NH2 3.33Å; H105-R168 PolarHBondContact ND1-NH2 3.12Å; H105-R168 PolarHBondContact NE2-NH2 2.65Å; V160-R168 HydrophobicContact CG1-CG 4.08Å; V160-R168 PolarHBondContact O-NE 2.91Å; V160-R168 PolarHBondContact O-NH2 2.94Å; V160-R168 VanDerWaalsContact O-NH2 3.16Å; E161-R168 PolarHBondContact O-NH2 3.39Å; L163-R168 HydrophobicContact CB-CG 3.64Å; L163-R168 HydrophobicContact CD1-CG 4.46Å; L163-R168 PolarHBondContact O-NE 3.31Å; D164-R168 VanDerWaalsContact O-CG 3.32Å; D164-R168 WeakPolarHBondContact O-CG 3.5Å; D164-R168 PolarHBondContact O-N 3.48Å; Y165-R168 WeakPolarHBondContact O-CB 3.36Å; Y165-R168 PolarHBondContact O-N 2.98Å; L166-R168 VanDerWaalsContact C-N 3.35Å; R168-F171 PolarHBondContact O-N 3.49Å; R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 VanDerWaalsContact O-CG 3.25Å; R168-R172 WeakPolarHBondContact O-CG 3.36Å; R168-R172 PolarHBondContact O-N 3.1Å
169A92.6Very high93.7Very high48 Ų4848.3 Ų48.340%0.39726%0.261SS..Hα-helixtrans-62.1-47.1175.800000111.2Y165 L166 E167 R172 A173Y165-A169 PolarHBondContact O-N 3.37Å; L166-A169 PolarHBondContact O-N 3.41Å; E167-A169 VanDerWaalsContact C-N 3.34Å; A169-R172 PolarHBondContact O-N 3.45Å; A169-A173 PolarHBondContact O-N 3.07Å
170L93.7Very high93.9Very high73 Ų7349.5 Ų49.538%0.38227%0.273SS..Hα-helixtrans-61.4-44.3174.6-69.7174000112.1F137 L166 E167 R172 A173 G174F137-L170 HydrophobicContact CE2-CD1 3.9Å; F137-L170 HydrophobicContact CZ-CD1 4.01Å; L166-L170 HydrophobicContact CD2-CD1 3.83Å; L166-L170 WeakPolarHBondContact O-CG 3.34Å; L166-L170 PolarHBondContact O-N 3.23Å; L166-L170 VanDerWaalsContact O-N 3.08Å; E167-L170 PolarHBondContact O-N 3.16Å; L170-R172 PolarHBondContact O-N 3.28Å; L170-A173 PolarHBondContact O-N 3.02Å; L170-G174 PolarHBondContact O-N 3.36Å
171F95.6Very high94.1Very high6 Ų653.1 Ų53.13%0.02629%0.286CS..Hα-helixtrans-60.8-44.6178.6-172.6-89.2000111.8T144 S148 T156 L159 V160 L163 E167 R168 G174 Q175T144-F171 HydrophobicContact CG2-CB 4.28Å; T144-F171 HydrophobicContact CG2-CD2 4.36Å; S148-F171 VanDerWaalsContact CA-CE2 3.46Å; T156-F171 HydrophobicContact CG2-CE1 4.23Å; T156-F171 HydrophobicContact CG2-CZ 3.8Å; L159-F171 HydrophobicContact CD2-CD2 4.16Å; L159-F171 HydrophobicContact CD2-CE2 3.37Å; L159-F171 HydrophobicContact CD2-CZ 3.88Å; V160-F171 HydrophobicContact CG2-CD1 3.68Å; V160-F171 HydrophobicContact CG2-CE1 3.58Å; V160-F171 HydrophobicContact CG2-CG 4.38Å; V160-F171 HydrophobicContact CG2-CZ 4.22Å; L163-F171 HydrophobicContact CD1-CB 4.06Å; L163-F171 HydrophobicContact CD1-CD2 4.28Å; L163-F171 HydrophobicContact CD1-CG 4.22Å; E167-F171 VanDerWaalsContact O-CB 3.28Å; E167-F171 WeakPolarHBondContact O-CB 3.27Å; E167-F171 PolarHBondContact O-N 3.43Å; R168-F171 PolarHBondContact O-N 3.49Å; F171-G174 PolarHBondContact O-N 3.12Å; F171-Q175 HydrophobicContact CD1-CG 4.02Å; F171-Q175 HydrophobicContact CE1-CG 3.6Å; F171-Q175 HydrophobicContact CZ-CG 4.06Å; F171-Q175 WeakPolarHBondContact O-CB 3.46Å; F171-Q175 WeakPolarHBondContact O-CG 3.32Å; F171-Q175 PolarHBondContact O-N 2.7Å
172R94.3Very high94.1Very high139 Ų13948.9 Ų48.953%0.52527%0.267SS..Hα-helixtrans-63.4-41.9175.7-73.3171.8-173.91631.7112R168 A169 L170 G174 Q175 S176R168-R172 WeakPolarHBondContact O-CB 3.28Å; R168-R172 VanDerWaalsContact O-CG 3.25Å; R168-R172 WeakPolarHBondContact O-CG 3.36Å; R168-R172 PolarHBondContact O-N 3.1Å; A169-R172 PolarHBondContact O-N 3.45Å; L170-R172 PolarHBondContact O-N 3.28Å; R172-G174 VanDerWaalsContact C-N 3.31Å; R172-G174 PolarHBondContact O-N 3Å; R172-Q175 PolarHBondContact O-N 2.96Å; R172-S176 WeakPolarHBondContact O-CB 3.31Å; R172-S176 PolarHBondContact O-N 3.46Å
173A94.5Very high93.9Very high66 Ų6647.5 Ų47.555%0.54527%0.266SS..Hα-helixtrans-61-43.9175.900000111A169 L170 S176 G177A169-A173 PolarHBondContact O-N 3.07Å; L170-A173 PolarHBondContact O-N 3.02Å; A173-S176 PolarHBondContact O-N 2.86Å; A173-G177 PolarHBondContact O-N 3.48Å
174G94.9Very high93.9Very high11 Ų1155.2 Ų55.211%0.11330%0.295CS..Hα-helixtrans-59.7-52174.800000112.8Q149 L170 F171 R172 S176 G177 L178Q149-G174 PolarHBondContact NE2-O 3.36Å; L170-G174 PolarHBondContact O-N 3.36Å; F171-G174 PolarHBondContact O-N 3.12Å; R172-G174 VanDerWaalsContact C-N 3.31Å; R172-G174 PolarHBondContact O-N 3Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 3.4Å; G174-G177 WeakPolarHBondContact O-CA 3.48Å; G174-G177 PolarHBondContact O-N 3.27Å; G174-G177 VanDerWaalsContact O-N 3.07Å; G174-L178 PolarHBondContact O-N 2.82Å
175Q94.6Very high93.9Very high25 Ų2560.6 Ų60.612%0.11732%0.32CS..Hα-helixtrans-59.7-38.8177.2-79.6-70.7-18.400112.6S148 A151 F171 R172 G177 L178 N179S148-Q175 PolarHBondContact O-NE2 2.99Å; S148-Q175 VanDerWaalsContact O-NE2 3.1Å; A151-Q175 PolarHBondContact O-NE2 2.98Å; A151-Q175 PolarHBondContact O-OE1 3.42Å; F171-Q175 HydrophobicContact CD1-CG 4.02Å; F171-Q175 HydrophobicContact CE1-CG 3.6Å; F171-Q175 HydrophobicContact CZ-CG 4.06Å; F171-Q175 WeakPolarHBondContact O-CB 3.46Å; F171-Q175 WeakPolarHBondContact O-CG 3.32Å; F171-Q175 PolarHBondContact O-N 2.7Å; R172-Q175 PolarHBondContact O-N 2.96Å; Q175-G177 VanDerWaalsContact C-N 3.33Å; Q175-G177 PolarHBondContact O-N 2.95Å; Q175-L178 PolarHBondContact O-N 2.92Å; Q175-N179 WeakPolarHBondContact O-CB 3.31Å; Q175-N179 PolarHBondContact O-N 3.38Å; Q175-N179 PolarHBondContact O-ND2 3.47Å
176S93.9Very high93.9Very high72 Ų7262.3 Ų62.350%0.50333%0.326SS..Hα-helixtrans-61.7-42.1174.2-173.30000111.6R172 A173 G174 S180R172-S176 WeakPolarHBondContact O-CB 3.31Å; R172-S176 PolarHBondContact O-N 3.46Å; A173-S176 PolarHBondContact O-N 2.86Å; G174-S176 VanDerWaalsContact C-N 3.3Å; G174-S176 PolarHBondContact O-N 3.4Å; S176-S180 VanDerWaalsContact O-CB 3.28Å; S176-S180 WeakPolarHBondContact O-CB 3.33Å; S176-S180 PolarHBondContact O-N 2.9Å; S176-S180 PolarHBondContact O-OG 2.87Å
177G94.5Very high93.8Very high38 Ų3862.1 Ų62.139%0.39234%0.336SS..Hα-helixtrans-62.5-50.2175.800000112.6A173 G174 Q175 N179 S180 F181A173-G177 PolarHBondContact O-N 3.48Å; G174-G177 WeakPolarHBondContact O-CA 3.48Å; G174-G177 PolarHBondContact O-N 3.27Å; G174-G177 VanDerWaalsContact O-N 3.07Å; Q175-G177 VanDerWaalsContact C-N 3.33Å; Q175-G177 PolarHBondContact O-N 2.95Å; G177-N179 PolarHBondContact O-N 3.09Å; G177-S180 PolarHBondContact O-N 2.89Å; G177-F181 WeakPolarHBondContact O-CB 3.42Å; G177-F181 PolarHBondContact O-N 3.5Å
178L94.2Very high93.5Very high22 Ų2269.5 Ų69.512%0.11536%0.363CS..Hα-helixtrans-56.9-50.4177.7176.462.6000111.8Q149 Y152 G174 Q175 S180 F181 Q182Q149-L178 WeakPolarHBondContact O-CD1 3.23Å; Q149-L178 VanDerWaalsContact O-CD2 3.29Å; Q149-L178 WeakPolarHBondContact O-CD2 3.24Å; Y152-L178 HydrophobicContact CD2-CD2 4.29Å; Y152-L178 HydrophobicContact CD2-CG 4.18Å; G174-L178 PolarHBondContact O-N 2.82Å; Q175-L178 PolarHBondContact O-N 2.92Å; L178-S180 VanDerWaalsContact C-N 3.35Å; L178-S180 PolarHBondContact O-N 3.45Å; L178-F181 PolarHBondContact O-N 3.07Å; L178-Q182 HydrophobicContact CD1-CG 4.23Å; L178-Q182 WeakPolarHBondContact O-CB 3.34Å; L178-Q182 WeakPolarHBondContact O-CG 3.47Å; L178-Q182 PolarHBondContact O-N 2.81Å
179N92.6Very high93.2Very high53 Ų5370.7 Ų70.728%0.28338%0.382SS..Hα-helixtrans-64.5-39.2-179.7-74.7-51.6000112.3Y152 Q175 G177 N183Y152-N179 WeakPolarHBondContact CE2-OD1 3.32Å; Q175-N179 WeakPolarHBondContact O-CB 3.31Å; Q175-N179 PolarHBondContact O-N 3.38Å; Q175-N179 PolarHBondContact O-ND2 3.47Å; G177-N179 PolarHBondContact O-N 3.09Å; N179-N183 WeakPolarHBondContact O-CB 3.45Å; N179-N183 PolarHBondContact O-N 3.47Å; N179-N183 PolarHBondContact O-ND2 3.32Å; N179-N183 VanDerWaalsContact O-ND2 3.12Å
180S92.9Very high92.9Very high70 Ų7073 Ų7349%0.4940%0.395SS..Hα-helixtrans-64.1-44.9176.9-60.40000111.4S176 G177 L178 N183 W184S176-S180 VanDerWaalsContact O-CB 3.28Å; S176-S180 WeakPolarHBondContact O-CB 3.33Å; S176-S180 PolarHBondContact O-N 2.9Å; S176-S180 PolarHBondContact O-OG 2.87Å; G177-S180 PolarHBondContact O-N 2.89Å; L178-S180 VanDerWaalsContact C-N 3.35Å; L178-S180 PolarHBondContact O-N 3.45Å; S180-N183 PolarHBondContact O-N 3.46Å; S180-W184 PolarHBondContact O-N 2.67Å
181F93.8Very high92.6Very high106 Ų10674 Ų7447%0.46541%0.405SS..Hα-helixtrans-62.9-46.9176.7-179.9-100.8000111.9G177 L178 N183 W184 E185G177-F181 WeakPolarHBondContact O-CB 3.42Å; G177-F181 PolarHBondContact O-N 3.5Å; L178-F181 PolarHBondContact O-N 3.07Å; F181-N183 VanDerWaalsContact C-N 3.31Å; F181-N183 PolarHBondContact O-N 2.94Å; F181-W184 AromaticContact CD2-CE3 3.94Å; F181-W184 HydrophobicContact CD2-CE3 3.94Å; F181-W184 HydrophobicContact CD2-CZ3 4.23Å; F181-W184 AromaticContact CE2-CE3 3.74Å; F181-W184 HydrophobicContact CE2-CE3 3.74Å; F181-W184 AromaticContact CE2-CZ3 3.56Å; F181-W184 HydrophobicContact CE2-CZ3 3.56Å; F181-W184 HydrophobicContact CZ-CE3 4.44Å; F181-W184 HydrophobicContact CZ-CZ3 4.13Å; F181-W184 WeakPolarHBondContact O-CB 3.29Å; F181-W184 PolarHBondContact O-N 3.41Å; F181-W184 VanDerWaalsContact O-N 3.13Å; F181-E185 WeakPolarHBondContact O-CB 3.35Å; F181-E185 PolarHBondContact O-N 3.31Å
182Q93.3Very high92.1Very high34 Ų3481.9 Ų81.916%0.15945%0.445CS..Hα-helixtrans-61.7-36.8177.3-75.3-64.8-47.300112.9Y152 L178 E185 R186Y152-Q182 HydrophobicContact CD2-CB 4.31Å; Y152-Q182 HydrophobicContact CD2-CG 3.82Å; Y152-Q182 HydrophobicContact CE2-CB 3.64Å; Y152-Q182 HydrophobicContact CE2-CG 3.66Å; Y152-Q182 HydrophobicContact CG-CG 4.4Å; L178-Q182 HydrophobicContact CD1-CG 4.23Å; L178-Q182 WeakPolarHBondContact O-CB 3.34Å; L178-Q182 WeakPolarHBondContact O-CG 3.47Å; L178-Q182 PolarHBondContact O-N 2.81Å; Q182-E185 PolarHBondContact NE2-OE2 2.7Å; Q182-R186 WeakPolarHBondContact O-CG 3.33Å; Q182-R186 PolarHBondContact O-N 3.35Å
183N91.9Very high91.7Very high64 Ų6480.7 Ų80.734%0.34245%0.453SS..Hα-helixtrans-68.5-37.8174.8-74.9-28.7000112.3N179 S180 F181 R188 A189N179-N183 WeakPolarHBondContact O-CB 3.45Å; N179-N183 PolarHBondContact O-N 3.47Å; N179-N183 PolarHBondContact O-ND2 3.32Å; N179-N183 VanDerWaalsContact O-ND2 3.12Å; S180-N183 PolarHBondContact O-N 3.46Å; F181-N183 VanDerWaalsContact C-N 3.31Å; F181-N183 PolarHBondContact O-N 2.94Å; N183-R188 WeakPolarHBondContact O-CB 3.46Å; N183-R188 PolarHBondContact O-N 2.72Å; N183-A189 PolarHBondContact O-N 3.01Å
184W94.7Very high91.3Very high169 Ų16980.1 Ų80.164%0.6445%0.449SS*.Hα-helixtrans-66.3-48.5174.6169.880.8000111.8S180 F181 R186 G187 A189S180-W184 PolarHBondContact O-N 2.67Å; F181-W184 AromaticContact CD2-CE3 3.94Å; F181-W184 HydrophobicContact CD2-CE3 3.94Å; F181-W184 HydrophobicContact CD2-CZ3 4.23Å; F181-W184 AromaticContact CE2-CE3 3.74Å; F181-W184 HydrophobicContact CE2-CE3 3.74Å; F181-W184 AromaticContact CE2-CZ3 3.56Å; F181-W184 HydrophobicContact CE2-CZ3 3.56Å; F181-W184 HydrophobicContact CZ-CE3 4.44Å; F181-W184 HydrophobicContact CZ-CZ3 4.13Å; F181-W184 WeakPolarHBondContact O-CB 3.29Å; F181-W184 PolarHBondContact O-N 3.41Å; F181-W184 VanDerWaalsContact O-N 3.13Å; W184-R186 PolarHBondContact O-N 3.35Å; W184-G187 PolarHBondContact O-N 3.09Å; W184-A189 HydrophobicContact CB-CB 4.2Å
185E94.9Very high90.7Very high115 Ų11582.7 Ų82.754%0.53747%0.465SS..Hα-helixtrans-56.5-37179.7-177.4177.5-151.200111.9F181 Q182 G187F181-E185 WeakPolarHBondContact O-CB 3.35Å; F181-E185 PolarHBondContact O-N 3.31Å; Q182-E185 PolarHBondContact NE2-OE2 2.7Å; E185-G187 VanDerWaalsContact C-N 3.28Å; E185-G187 PolarHBondContact O-N 3.38Å
186R92.9Very high89.9Confident109 Ų10985.3 Ų85.341%0.41149%0.486SS..THydrogen-bonded Turntrans-84.66.9177.8-63.3176.8-168.4163.411.7114.2Y152 Q182 W184 R188Y152-R186 PolarHBondContact OH-NH1 3.23Å; Y152-R186 PolarHBondContact OH-NH2 3.49Å; Q182-R186 WeakPolarHBondContact O-CG 3.33Å; Q182-R186 PolarHBondContact O-N 3.35Å; W184-R186 PolarHBondContact O-N 3.35Å; R186-R188 HydrophobicContact CB-CG 4.16Å; R186-R188 PolarHBondContact O-N 3.42Å; R186-R188 VanDerWaalsContact O-N 3.14Å
187G91Very high88.9Confident43 Ų4387.2 Ų87.244%0.44349%0.49SS..THydrogen-bonded Turntrans68.66.1-178.300000115.1W184 E185 A189 S190W184-G187 PolarHBondContact O-N 3.09Å; E185-G187 VanDerWaalsContact C-N 3.28Å; E185-G187 PolarHBondContact O-N 3.38Å; G187-A189 VanDerWaalsContact C-N 3.28Å; G187-A189 PolarHBondContact O-N 3.33Å; G187-S190 PolarHBondContact O-N 3.09Å; G187-S190 PolarHBondContact O-OG 3Å
188R87.9Confident88.1Confident156 Ų15689 Ų8959%0.58949%0.493SS*.G310 helixtrans-73.5-21.4-178.5-63-178.2-178.5-177.7-1.7112.7N183 R186 S190 T191N183-R188 WeakPolarHBondContact O-CB 3.46Å; N183-R188 PolarHBondContact O-N 2.72Å; R186-R188 HydrophobicContact CB-CG 4.16Å; R186-R188 PolarHBondContact O-N 3.42Å; R186-R188 VanDerWaalsContact O-N 3.14Å; R188-S190 PolarHBondContact O-N 3.04Å; R188-T191 PolarHBondContact O-N 2.78Å
189A87.8Confident87.1Confident66 Ų6692.2 Ų92.255%0.54551%0.51SS..G310 helixtrans-67.5-11.9176.500000114N183 W184 G187N183-A189 PolarHBondContact O-N 3.01Å; W184-A189 HydrophobicContact CB-CB 4.2Å; G187-A189 VanDerWaalsContact C-N 3.28Å; G187-A189 PolarHBondContact O-N 3.33Å
190S86.4Confident86.1Confident97 Ų9794 Ų9468%0.67852%0.519SS*.G310 helixtrans-77.3-21.9178.263.20000113.8G187 R188G187-S190 PolarHBondContact O-N 3.09Å; G187-S190 PolarHBondContact O-OG 3Å; R188-S190 PolarHBondContact O-N 3.04Å
191T87Confident85Confident94 Ų9498.2 Ų98.258%0.57753%0.526SS*.SBendtrans-85.8117.6-176.3-56.40000110.1R188 T193R188-T191 PolarHBondContact O-N 2.78Å; T191-T193 HydrophobicContact CG2-CG2 4.43Å; T191-T193 PolarHBondContact O-N 2.84Å
192I87Confident83.4Confident170 Ų170101.7 Ų101.787%0.87254%0.536SS*.  trans-70.1114.8174.3-57.2174.8000108.2
193T85.5Confident81.8Confident114 Ų114107.2 Ų107.270%0.69956%0.559SS**  trans-105.7151.6175.352.70000110.1T191 S195T191-T193 HydrophobicContact CG2-CG2 4.43Å; T191-T193 PolarHBondContact O-N 2.84Å; T193-S195 PolarHBondContact O-N 2.9Å
194A85.2Confident80Confident55 Ų55112.2 Ų112.246%0.45557%0.573SS.*  trans-63.6133.3174.200000109.7L199A194-L199 HydrophobicContact CB-CD2 4.14Å; A194-L199 HydrophobicContact CB-CG 4.26Å
195S83.5Confident78.1Confident65 Ų65111.6 Ų111.646%0.45558%0.575SS.*  trans-55.2145.5175.6171.40000111.3T193 L197 V198 L199T193-S195 PolarHBondContact O-N 2.9Å; S195-L197 PolarHBondContact O-N 3.3Å; S195-L197 VanDerWaalsContact O-N 3.12Å; S195-L197 PolarHBondContact OG-N 3.44Å; S195-V198 WeakPolarHBondContact O-CB 3.48Å; S195-V198 PolarHBondContact O-N 3.1Å; S195-L199 PolarHBondContact O-N 3.31Å; S195-L199 VanDerWaalsContact O-N 3.13Å
196S76.7Confident76.1Confident79 Ų79111.8 Ų111.855%0.55258%0.579SS**Hα-helixtrans-52.6-33.3176.156.20000112.5L199 N200S196-L199 PolarHBondContact O-N 3.22Å; S196-N200 WeakPolarHBondContact O-CB 3.45Å; S196-N200 VanDerWaalsContact O-CG 3.23Å; S196-N200 PolarHBondContact O-N 3.3Å; S196-N200 PolarHBondContact O-ND2 3.43Å
197L74.1Confident74.1Confident112 Ų112111.6 Ų111.659%0.58659%0.59SS**Hα-helixtrans-59.7-48174.2-66.3174.6000111.4S195 N200 Y201S195-L197 PolarHBondContact O-N 3.3Å; S195-L197 VanDerWaalsContact O-N 3.12Å; S195-L197 PolarHBondContact OG-N 3.44Å; L197-N200 PolarHBondContact O-N 3.35Å; L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 3.23Å
198V76.9Confident72.2Confident75 Ų75116.1 Ų116.146%0.45560%0.604SS.*Hα-helixtrans-66.5-40.1-179.1178.30000111.3S195 N200 Y201 R202S195-V198 WeakPolarHBondContact O-CB 3.48Å; S195-V198 PolarHBondContact O-N 3.1Å; V198-N200 VanDerWaalsContact C-N 3.34Å; V198-N200 PolarHBondContact O-N 3.24Å; V198-Y201 PolarHBondContact O-N 3.14Å; V198-R202 PolarHBondContact O-N 2.93Å
199L73.8Confident70.5Confident91 Ų91115.5 Ų115.548%0.47661%0.611SS.*Hα-helixtrans-62.3-41.5176.1-66.2174.9000111.7A194 S195 S196 R202 K203A194-L199 HydrophobicContact CB-CD2 4.14Å; A194-L199 HydrophobicContact CB-CG 4.26Å; S195-L199 PolarHBondContact O-N 3.31Å; S195-L199 VanDerWaalsContact O-N 3.13Å; S196-L199 PolarHBondContact O-N 3.22Å; L199-R202 PolarHBondContact O-N 3.43Å; L199-K203 PolarHBondContact O-N 3.43Å
200N71.5Confident68.2Low89 Ų89120.5 Ų120.548%0.47662%0.623SS.*Hα-helixtrans-71-37.3179.1-71.6-23.3000112.8S196 L197 V198 R202 K203 R204S196-N200 WeakPolarHBondContact O-CB 3.45Å; S196-N200 VanDerWaalsContact O-CG 3.23Å; S196-N200 PolarHBondContact O-N 3.3Å; S196-N200 PolarHBondContact O-ND2 3.43Å; L197-N200 PolarHBondContact O-N 3.35Å; V198-N200 VanDerWaalsContact C-N 3.34Å; V198-N200 PolarHBondContact O-N 3.24Å; N200-R202 VanDerWaalsContact C-N 3.35Å; N200-R202 PolarHBondContact O-N 2.75Å; N200-K203 PolarHBondContact O-N 3.4Å; N200-R204 PolarHBondContact O-N 2.9Å
201Y68.9Low66.6Low159 Ų159125.5 Ų125.562%0.62465%0.653SS**Hα-helixtrans-63-38.3173.7-81.8-65.3000112.8L197 V198 R204 K205L197-Y201 WeakPolarHBondContact O-CD2 3.31Å; L197-Y201 PolarHBondContact O-N 3.23Å; V198-Y201 PolarHBondContact O-N 3.14Å; Y201-R204 PolarHBondContact O-N 3.21Å; Y201-K205 PolarHBondContact O-N 3Å
202R60.5Low65.5Low179 Ų179127.1 Ų127.168%0.67566%0.657SS**Hα-helixtrans-64.9-38.7176-83.3-175.1168.9177.9-2.7112.7V198 L199 N200 R204 K205 I206V198-R202 PolarHBondContact O-N 2.93Å; L199-R202 PolarHBondContact O-N 3.43Å; N200-R202 VanDerWaalsContact C-N 3.35Å; N200-R202 PolarHBondContact O-N 2.75Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 3.13Å; R202-K205 PolarHBondContact O-N 3.36Å; R202-I206 PolarHBondContact O-N 3.37Å
203K59Low64.4Low150 Ų150124.8 Ų124.865%0.65265%0.646SS**Hα-helixtrans-63-38.9176.1-75.9-174.2176.2-177.30112.4L199 N200 I206 T207L199-K203 PolarHBondContact O-N 3.43Å; N200-K203 PolarHBondContact O-N 3.4Å; K203-I206 PolarHBondContact O-N 2.93Å; K203-T207 PolarHBondContact O-OG1 2.94Å
204R55.7Low63.2Low169 Ų169125.4 Ų125.464%0.63864%0.643SS**Hα-helixtrans-66-38.2177.1-69.2-178.3-178.5175.6-0.1112.9N200 Y201 R202 I206 T207 D208N200-R204 PolarHBondContact O-N 2.9Å; Y201-R204 PolarHBondContact O-N 3.21Å; R202-R204 VanDerWaalsContact C-N 3.34Å; R202-R204 PolarHBondContact O-N 3.13Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 2.85Å; R204-T207 PolarHBondContact O-N 3.34Å; R204-T207 PolarHBondContact O-OG1 3.39Å; R204-D208 PolarHBondContact O-N 2.98Å
205K54.2Low62Low156 Ų156129.5 Ų129.568%0.67865%0.654SS**Hα-helixtrans-66.5-25.5175.1-79.8-166.9173.2-170.40114.2Y201 R202Y201-K205 PolarHBondContact O-N 3Å; R202-K205 PolarHBondContact O-N 3.36Å
206I52.1Low60.6Low120 Ų120133.6 Ų133.662%0.61567%0.667SS**Hα-helixtrans-75-32178-72.5167.3000111.1R202 K203 R204 D208 L209R202-I206 PolarHBondContact O-N 3.37Å; K203-I206 PolarHBondContact O-N 2.93Å; R204-I206 VanDerWaalsContact C-N 3.28Å; R204-I206 PolarHBondContact O-N 2.85Å; I206-D208 VanDerWaalsContact C-N 3.33Å; I206-L209 PolarHBondContact O-N 3.45Å
207T51.8Low59.5Low105 Ų105137.2 Ų137.264%0.64467%0.674SS**Hα-helixtrans-71.4-23.9173.727.50000113.9K203 R204 L209K203-T207 PolarHBondContact O-OG1 2.94Å; R204-T207 PolarHBondContact O-N 3.34Å; R204-T207 PolarHBondContact O-OG1 3.39Å; T207-L209 VanDerWaalsContact C-N 3.28Å
208D51.8Low58.5Low138 Ų138139 Ų13974%0.73868%0.68SS**THydrogen-bonded Turntrans-85.71.9175.8-64.9-30.7000113.2R204 I206R204-D208 PolarHBondContact O-N 2.98Å; I206-D208 VanDerWaalsContact C-N 3.33Å
209L50.6Low57.1Low142 Ų142143.9 Ų143.974%0.74370%0.698SS**  trans-118.860.9178-73.2165.8000109.9I206 T207I206-L209 PolarHBondContact O-N 3.45Å; T207-L209 VanDerWaalsContact C-N 3.28Å
210Q39.9Very low55.7Low171 Ų171148.3 Ų148.380%0.79972%0.716SS**  trans-115.7128.7156.2-77.7-172.6-26.500108.6
211P52.4Low54.2Low202 Ų202153.7 Ų153.7100%1.31274%0.738SS**  trans-69.30165.130.8-32.5000111.7

Retrieved 211 of 211 residues in 83.9 ms (Link to these results)

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