G4VHC6_SCHMA Loading...

Flavoprotein domain-containing protein

AlphaFold DB , UniProt , Accession G4VHC6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 198 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
1M36.6Very low67.7Low233 Ų233109.2 Ų109.2100%1.14854%0.539SS*.  098.80-162.7164.756.200104.5E3M1-E3 PolarHBondContact O-N 2.74Å
2N41.6Very low70.3Confident161 Ų161100.1 Ų100.186%0.86149%0.494SS*.  trans-63.2107.3175.6-97.8-6000105.3D4N2-D4 PolarHBondContact O-N 2.59Å; N2-D4 VanDerWaalsContact O-N 3.08Å
3E49.8Very low72.5Confident179 Ų17992.4 Ų92.484%0.83646%0.456SS*.  trans-53.6116.6156.5-74.3179.7156.500105.2M1 K5M1-E3 PolarHBondContact O-N 2.74Å; E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 3.01Å
4D51.5Low74.4Confident154 Ų15485.8 Ų85.882%0.82442%0.423SS*.  trans-56.598.7175-86.1-34000106.9N2 L6N2-D4 PolarHBondContact O-N 2.59Å; N2-D4 VanDerWaalsContact O-N 3.08Å; D4-L6 PolarHBondContact O-N 3.17Å
5K55.9Low76Confident134 Ų13480.1 Ų80.158%0.58340%0.395SS*.  trans-61.3109.7-175.1-161.7178.5-172.5-1770106.1E3 L7E3-K5 VanDerWaalsContact C-N 3.26Å; E3-K5 PolarHBondContact O-N 3.01Å; K5-L7 WeakPolarHBondContact O-CG 3.07Å; K5-L7 PolarHBondContact O-N 3.08Å
6L66.1Low77.4Confident116 Ų11675.1 Ų75.161%0.60737%0.37SS*.  trans-64.7100.5-178.6-116.5141000107.5D4 L197D4-L6 PolarHBondContact O-N 3.17Å; L6-L197 HydrophobicContact CB-CD1 3.84Å; L6-L197 HydrophobicContact CD2-CD1 3.66Å; L6-L197 HydrophobicContact CG-CD1 4.38Å; L6-L197 PolarHBondContact O-N 3.19Å
7L77.6Confident78.6Confident68 Ų6872.1 Ų72.136%0.35636%0.363SS..BIsolated β-bridgetrans-77142.5-175.9-61.1-175.3000109.7K5 N9K5-L7 WeakPolarHBondContact O-CG 3.07Å; K5-L7 PolarHBondContact O-N 3.08Å; L7-N9 VanDerWaalsContact C-N 3.35Å; L7-N9 PolarHBondContact O-N 2.83Å; L7-N9 PolarHBondContact O-OD1 2.73Å
8R81.5Confident79.7Confident37 Ų3769.1 Ų69.114%0.1435%0.35CS..SBendtrans-70.489.4169.1-68.6-176.6-173.9-165.6-7.3110.2D86 I87 E192 K195 S196 L197R8-D86 HydrophobicContact CB-CB 4.08Å; R8-D86 HydrophobicContact CG-CB 4.19Å; R8-I87 HydrophobicContact CB-CD1 4.46Å; R8-E192 IonicContact NH1-OE2 3.99Å; R8-K195 PolarHBondContact N-O 3.19Å; R8-S196 PolarHBondContact NE-O 3.4Å; R8-S196 VanDerWaalsContact NE-O 3.08Å; R8-L197 HydrophobicContact CG-CD2 3.69Å; R8-L197 HydrophobicContact CG-CG 3.84Å
9N91.7Very high80.6Confident56 Ų5668.6 Ų68.630%0.29935%0.351SS..  trans-129.2-2.6-17876.1-21.9000114.1L7 F36 E37 D86 L193L7-N9 VanDerWaalsContact C-N 3.35Å; L7-N9 PolarHBondContact O-N 2.83Å; L7-N9 PolarHBondContact O-OD1 2.73Å; N9-F36 CarbonylContact O-C 3.51Å; N9-F36 WeakPolarHBondContact O-CA 3.26Å; N9-F36 WeakPolarHBondContact O-CD1 3.43Å; N9-E37 PolarHBondContact O-N 3.32Å; N9-D86 PolarHBondContact N-OD2 2.77Å; N9-D86 VanDerWaalsContact N-OD2 3.12Å; N9-L193 HydrophobicContact CB-CD2 4.3Å
10K95.3Very high81.4Confident63 Ų6366.1 Ų66.127%0.27434%0.341SS..EExtended strand (participates in β ladder)trans-91.6115175.9-66.1173.6-179.5174.50110.3E37 W84 D86 I87K10-E37 HydrophobicContact CG-CB 4.4Å; K10-W84 HydrophobicContact CB-CD2 4.26Å; K10-W84 HydrophobicContact CB-CE3 4.3Å; K10-W84 HydrophobicContact CB-CH2 3.86Å; K10-W84 HydrophobicContact CB-CZ2 3.82Å; K10-W84 HydrophobicContact CB-CZ3 4.1Å; K10-W84 WeakPolarHBondContact CB-O 3.19Å; K10-W84 HydrophobicContact CD-CD2 4.27Å; K10-W84 HydrophobicContact CD-CG 4.39Å; K10-W84 HydrophobicContact CD-CZ2 4.24Å; K10-W84 WeakPolarHBondContact CD-O 3.42Å; K10-W84 HydrophobicContact CG-CH2 4.35Å; K10-W84 HydrophobicContact CG-CZ2 3.82Å; K10-D86 WeakPolarHBondContact CB-OD2 3.13Å; K10-D86 PolarHBondContact N-OD2 2.82Å; K10-D86 PolarHBondContact O-N 3.12Å; K10-I87 PolarHBondContact O-N 3.44Å; K10-I87 VanDerWaalsContact O-N 3.14Å
11L97.2Very high82.2Confident0 Ų063 Ų630%033%0.325CS..EExtended strand (participates in β ladder)trans-119127.5-174.8-179141.2000110.8L13 L31 F36 E37 V38 R39 I87 L89 L189L11-L13 HydrophobicContact CD2-CB 3.94Å; L11-L31 HydrophobicContact CD2-CD1 4.13Å; L11-F36 HydrophobicContact CB-CB 4.39Å; L11-F36 HydrophobicContact CB-CD1 3.78Å; L11-F36 HydrophobicContact CB-CE1 4.39Å; L11-F36 HydrophobicContact CB-CG 4.23Å; L11-F36 HydrophobicContact CD1-CD1 4.17Å; L11-F36 HydrophobicContact CD1-CE1 4.2Å; L11-F36 HydrophobicContact CD1-CG 4.39Å; L11-F36 HydrophobicContact CD1-CZ 4.39Å; L11-E37 PolarHBondContact N-O 2.84Å; L11-V38 HydrophobicContact CD2-CG1 4.13Å; L11-V38 HydrophobicContact CD2-CG2 4.3Å; L11-V38 WeakPolarHBondContact O-CA 3.44Å; L11-R39 PolarHBondContact O-N 2.95Å; L11-I87 HydrophobicContact CD1-CB 4.44Å; L11-I87 HydrophobicContact CD1-CG2 4.29Å; L11-L89 HydrophobicContact CD1-CB 4.3Å; L11-L89 HydrophobicContact CD2-CB 4.45Å; L11-L189 HydrophobicContact CD1-CD1 3.58Å; L11-L189 HydrophobicContact CD1-CD2 4.24Å; L11-L189 HydrophobicContact CD1-CG 4.49Å
12I98.5Very high85.1Confident0 Ų057.5 Ų57.50%030%0.299CS..EExtended strand (participates in β ladder)trans-89.3128.3159.6-75.6178.5000109.4R39 V41 L81 W84 A85 I87 L88 L89 L113I12-R39 WeakPolarHBondContact CA-O 3.45Å; I12-R39 HydrophobicContact CG1-CB 4.45Å; I12-V41 HydrophobicContact CD1-CG2 4.44Å; I12-V41 HydrophobicContact CG2-CB 4.26Å; I12-V41 HydrophobicContact CG2-CG2 3.75Å; I12-L81 HydrophobicContact CD1-CB 3.59Å; I12-L81 HydrophobicContact CD1-CD2 4.08Å; I12-L81 HydrophobicContact CD1-CG 4.31Å; I12-L81 WeakPolarHBondContact CD1-O 3.21Å; I12-W84 HydrophobicContact CD1-CE3 4.47Å; I12-W84 HydrophobicContact CG1-CE3 4.14Å; I12-W84 HydrophobicContact CG1-CZ3 3.86Å; I12-A85 HydrophobicContact CB-CB 4.33Å; I12-A85 HydrophobicContact CD1-CB 3.88Å; I12-A85 HydrophobicContact CG1-CB 3.79Å; I12-I87 PolarHBondContact N-O 3.36Å; I12-L88 HydrophobicContact CB-CD1 4.06Å; I12-L88 HydrophobicContact CG2-CD1 3.65Å; I12-L89 PolarHBondContact O-N 2.85Å; I12-L113 HydrophobicContact CD1-CD1 4.49Å; I12-L113 HydrophobicContact CD1-CD2 3.77Å; I12-L113 HydrophobicContact CG2-CD2 3.89Å
13L98.8Very high87.8Confident0 Ų052.8 Ų52.80%027%0.271CS..EExtended strand (participates in β ladder)trans-101.7103167.7176.656.5000109.4L11 V15 I24 L27 V28 L31 V38 R39 L40 V41 L89 A91L11-L13 HydrophobicContact CD2-CB 3.94Å; L13-V15 HydrophobicContact CD2-CG2 4.49Å; L13-V15 HydrophobicContact CG-CG2 4.01Å; L13-I24 HydrophobicContact CD2-CD1 4.31Å; L13-L27 HydrophobicContact CD1-CD2 4.13Å; L13-L27 HydrophobicContact CD2-CD2 4.06Å; L13-L27 HydrophobicContact CD2-CG 4.34Å; L13-V28 HydrophobicContact CD2-CG2 3.99Å; L13-L31 HydrophobicContact CD2-CD1 4.42Å; L13-V38 HydrophobicContact CB-CG1 4.25Å; L13-R39 PolarHBondContact N-O 3.24Å; L13-L40 HydrophobicContact CB-CD1 4.05Å; L13-L40 HydrophobicContact CB-CG 4.28Å; L13-L40 HydrophobicContact CD2-CD1 4.11Å; L13-L40 HydrophobicContact CD2-CG 4.3Å; L13-L40 HydrophobicContact CG-CD1 4.45Å; L13-L40 HydrophobicContact CG-CG 4.38Å; L13-L40 WeakPolarHBondContact O-CA 3.37Å; L13-V41 PolarHBondContact O-N 3.3Å; L13-L89 CarbonylContact C-O 3.44Å; L13-L89 WeakPolarHBondContact CA-O 3.49Å; L13-L89 HydrophobicContact CD1-CB 4.29Å; L13-L89 HydrophobicContact CD1-CD2 3.69Å; L13-L89 HydrophobicContact CD1-CG 3.8Å; L13-A91 HydrophobicContact CD1-CB 4.16Å
14G98.9Very high90.1Very high0 Ų044.2 Ų44.20%023%0.231CC..EExtended strand (participates in β ladder)trans-75.7125.9168.400000111.3V41 L89 V90 A91G14-V41 CarbonylContact C-O 3.57Å; G14-V41 VanDerWaalsContact CA-O 3.32Å; G14-V41 WeakPolarHBondContact CA-O 3.32Å; G14-L89 PolarHBondContact N-O 2.8Å; G14-V90 CarbonylContact O-C 3.16Å; G14-V90 WeakPolarHBondContact O-CA 3.02Å; G14-A91 PolarHBondContact O-N 3.38Å
15V98.9Very high92.3Very high0 Ų038.3 Ų38.30%020%0.201CC..EExtended strand (participates in β ladder)trans-119.3124.2-178.7-170.60000109.9L13 A21 I24 L40 V41 V42 T43 S46 F50L13-V15 HydrophobicContact CD2-CG2 4.49Å; L13-V15 HydrophobicContact CG-CG2 4.01Å; V15-A21 HydrophobicContact CG1-CB 3.91Å; V15-I24 HydrophobicContact CB-CD1 4.49Å; V15-I24 HydrophobicContact CG1-CD1 3.88Å; V15-I24 HydrophobicContact CG1-CG1 3.75Å; V15-I24 HydrophobicContact CG2-CD1 3.8Å; V15-I24 HydrophobicContact CG2-CG1 4.17Å; V15-I24 HydrophobicContact CG2-CG2 4.41Å; V15-L40 HydrophobicContact CG2-CD2 4.32Å; V15-L40 HydrophobicContact CG2-CG 4.31Å; V15-V41 PolarHBondContact N-O 2.78Å; V15-V42 HydrophobicContact CB-CG1 4.12Å; V15-V42 HydrophobicContact CG2-CG1 4.22Å; V15-T43 PolarHBondContact O-N 3.45Å; V15-T43 PolarHBondContact O-OG1 2.87Å; V15-S46 PolarHBondContact O-OG 2.87Å; V15-F50 HydrophobicContact CG1-CE1 3.74Å; V15-F50 HydrophobicContact CG1-CZ 4.14Å
16T98.8Very high94.4Very high0 Ų034.8 Ų34.80%019%0.193CC..  trans-116.7169.2-176.573.10000113S18 T43 S46 V90 P92 L93 S94 T97 L110T16-S18 PolarHBondContact O-N 3.45Å; T16-T43 WeakPolarHBondContact CA-OG1 3.44Å; T16-T43 HydrophobicContact CG2-CG2 4.27Å; T16-S46 VanDerWaalsContact C-CB 3.5Å; T16-S46 WeakPolarHBondContact O-CB 3.49Å; T16-V90 HydrophobicContact CG2-CG1 3.9Å; T16-P92 WeakPolarHBondContact CB-O 3.32Å; T16-P92 PolarHBondContact N-O 3.09Å; T16-P92 PolarHBondContact OG1-O 3.19Å; T16-L93 HydrophobicContact CG2-CD1 4.36Å; T16-L93 WeakPolarHBondContact OG1-CA 3.48Å; T16-S94 WeakPolarHBondContact OG1-CB 3.46Å; T16-S94 PolarHBondContact OG1-N 3.39Å; T16-T97 HydrophobicContact CG2-CG2 3.64Å; T16-L110 HydrophobicContact CG2-CD2 3.54Å
17G98.2Very high95.9Very high24 Ų2429.3 Ų29.325%0.24716%0.164CC..SBendtrans-67.184.5-177.500000113.9S94G17-S94 VanDerWaalsContact O-CB 3.29Å; G17-S94 WeakPolarHBondContact O-CB 3.37Å
18S97.7Very high96.9Very high19 Ų1926.1 Ų26.113%0.13315%0.147CC..SBendtrans-146.1147.1171.1179.70000109.1T16 A20 A21 F49 A135T16-S18 PolarHBondContact O-N 3.45Å; S18-A20 PolarHBondContact O-N 2.74Å; S18-A20 VanDerWaalsContact O-N 3.08Å; S18-A21 VanDerWaalsContact O-CB 3.24Å; S18-A21 WeakPolarHBondContact O-CB 3.26Å; S18-A21 PolarHBondContact O-N 2.94Å; S18-F49 VanDerWaalsContact O-CD2 3.26Å; S18-F49 WeakPolarHBondContact O-CD2 3.41Å; S18-A135 WeakPolarHBondContact CB-O 3.46Å; S18-A135 WeakPolarHBondContact OG-CB 3.42Å; S18-A135 PolarHBondContact OG-O 3.04Å
19V96.3Very high97.7Very high60 Ų6030.2 Ų30.236%0.36417%0.168SC..G310 helixtrans-62-23.3-178.5-167.10000112.4A21 I22 F49 I170V19-A21 PolarHBondContact O-N 3.08Å; V19-I22 VanDerWaalsContact O-CG2 3.26Å; V19-I22 WeakPolarHBondContact O-CG2 3.2Å; V19-I22 PolarHBondContact O-N 3.31Å; V19-F49 HydrophobicContact CB-CD1 4.18Å; V19-F49 HydrophobicContact CB-CE1 4.31Å; V19-F49 HydrophobicContact CG1-CD1 4.16Å; V19-F49 HydrophobicContact CG2-CD1 4Å; V19-F49 HydrophobicContact CG2-CE1 3.63Å; V19-F49 HydrophobicContact CG2-CZ 4.21Å; V19-I170 HydrophobicContact CB-CD1 3.24Å; V19-I170 HydrophobicContact CG1-CD1 3.24Å; V19-I170 HydrophobicContact CG2-CD1 3.33Å
20A97.2Very high98Very high18 Ų1831.7 Ų31.715%0.14917%0.171CC..G310 helixtrans-56.8-16.3171.700000113.7S18 I22 K23 P92 A135 M179S18-A20 PolarHBondContact O-N 2.74Å; S18-A20 VanDerWaalsContact O-N 3.08Å; A20-I22 PolarHBondContact O-N 3.36Å; A20-I22 VanDerWaalsContact O-N 3.17Å; A20-K23 WeakPolarHBondContact O-CB 3.09Å; A20-K23 PolarHBondContact O-N 2.91Å; A20-P92 HydrophobicContact CB-CB 3.9Å; A20-P92 HydrophobicContact CB-CG 4.15Å; A20-A135 HydrophobicContact CB-CB 3.79Å; A20-M179 HydrophobicContact CB-CB 3.7Å; A20-M179 HydrophobicContact CB-CE 4.23Å; A20-M179 HydrophobicContact CB-CG 4.46Å; A20-M179 HydrophobicContact CB-SD 4.06Å
21A98.3Very high98.1Very high0 Ų028.7 Ų28.70%016%0.158CC..G310 helixtrans-64.4-14.6174.400000113.2V15 S18 V19 K23 I24 F49 F50 P92V15-A21 HydrophobicContact CG1-CB 3.91Å; S18-A21 VanDerWaalsContact O-CB 3.24Å; S18-A21 WeakPolarHBondContact O-CB 3.26Å; S18-A21 PolarHBondContact O-N 2.94Å; V19-A21 PolarHBondContact O-N 3.08Å; A21-K23 PolarHBondContact O-N 3.38Å; A21-K23 VanDerWaalsContact O-N 3.13Å; A21-I24 HydrophobicContact CB-CG1 4.17Å; A21-I24 WeakPolarHBondContact O-CB 3.47Å; A21-I24 WeakPolarHBondContact O-CG1 3.36Å; A21-I24 PolarHBondContact O-N 2.86Å; A21-I24 VanDerWaalsContact O-N 3.08Å; A21-F49 HydrophobicContact CB-CB 3.95Å; A21-F50 HydrophobicContact CB-CD1 3.98Å; A21-F50 HydrophobicContact CB-CE1 4.43Å; A21-P92 HydrophobicContact CB-CG 3.96Å
22I97.5Very high98.1Very high119 Ų11931.7 Ų31.761%0.6117%0.174SC*.G310 helixtrans-57.9-23.9167.4-161.8171.4000112.7V19 A20 I24V19-I22 VanDerWaalsContact O-CG2 3.26Å; V19-I22 WeakPolarHBondContact O-CG2 3.2Å; V19-I22 PolarHBondContact O-N 3.31Å; A20-I22 PolarHBondContact O-N 3.36Å; A20-I22 VanDerWaalsContact O-N 3.17Å; I22-I24 VanDerWaalsContact C-N 3.34Å
23K97.7Very high98Very high61 Ų6138.2 Ų38.227%0.26521%0.205SC..G310 helixtrans-84.1-3179.2-61.2-172.2177.6-174.30113.7A20 A21 C26 L27 M179 E181 V182A20-K23 WeakPolarHBondContact O-CB 3.09Å; A20-K23 PolarHBondContact O-N 2.91Å; A21-K23 PolarHBondContact O-N 3.38Å; A21-K23 VanDerWaalsContact O-N 3.13Å; K23-C26 PolarHBondContact O-N 3.1Å; K23-L27 PolarHBondContact O-N 3.36Å; K23-M179 HydrophobicContact CB-CE 4.25Å; K23-M179 HydrophobicContact CD-CE 4.15Å; K23-E181 VanDerWaalsContact NZ-CD 3.29Å; K23-E181 IonicContact NZ-OE1 2.78Å; K23-E181 PolarHBondContact NZ-OE1 3.38Å; K23-E181 IonicContact NZ-OE2 2.66Å; K23-E181 PolarHBondContact NZ-OE2 2.92Å; K23-V182 HydrophobicContact CB-CG2 4.18Å; K23-V182 HydrophobicContact CD-CG2 4.34Å
24I98.5Very high97.8Very high0 Ų040.5 Ų40.50%022%0.217CC..Hα-helixtrans-59.9-42.8-174.8-66-61.1000113.6L13 V15 A21 I22 C26 L27 V28 L40 F50 V55 A91L13-I24 HydrophobicContact CD2-CD1 4.31Å; V15-I24 HydrophobicContact CB-CD1 4.49Å; V15-I24 HydrophobicContact CG1-CD1 3.88Å; V15-I24 HydrophobicContact CG1-CG1 3.75Å; V15-I24 HydrophobicContact CG2-CD1 3.8Å; V15-I24 HydrophobicContact CG2-CG1 4.17Å; V15-I24 HydrophobicContact CG2-CG2 4.41Å; A21-I24 HydrophobicContact CB-CG1 4.17Å; A21-I24 WeakPolarHBondContact O-CB 3.47Å; A21-I24 WeakPolarHBondContact O-CG1 3.36Å; A21-I24 PolarHBondContact O-N 2.86Å; A21-I24 VanDerWaalsContact O-N 3.08Å; I22-I24 VanDerWaalsContact C-N 3.34Å; I24-C26 VanDerWaalsContact C-N 3.32Å; I24-C26 PolarHBondContact O-N 3.38Å; I24-L27 HydrophobicContact CD1-CD2 4.33Å; I24-L27 PolarHBondContact O-N 3.08Å; I24-L27 VanDerWaalsContact O-N 3.14Å; I24-V28 HydrophobicContact CG2-CG2 4.01Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.23Å; I24-L40 HydrophobicContact CG2-CD2 3.77Å; I24-F50 HydrophobicContact CB-CD2 4.23Å; I24-F50 HydrophobicContact CB-CE2 4.32Å; I24-F50 HydrophobicContact CG2-CD2 4.26Å; I24-F50 HydrophobicContact CG2-CE2 3.93Å; I24-F50 HydrophobicContact CG2-CZ 4.35Å; I24-V55 HydrophobicContact CG2-CG1 4.08Å; I24-A91 WeakPolarHBondContact CD1-O 3.26Å
25P98.4Very high97.5Very high30 Ų3042.5 Ų42.520%0.19524%0.237CC..Hα-helixtrans-54.6-47.8176.6-3039.1000112.8L27 V28 E29 T54 V55P25-L27 PolarHBondContact O-N 3.5Å; P25-V28 PolarHBondContact O-N 3.35Å; P25-E29 WeakPolarHBondContact O-CG 3.45Å; P25-E29 PolarHBondContact O-N 2.88Å; P25-T54 VanDerWaalsContact CG-OG1 3.24Å; P25-T54 WeakPolarHBondContact CG-OG1 3.13Å; P25-V55 HydrophobicContact CG-CG1 4.33Å
26C98.3Very high97.4Very high60 Ų6042.8 Ų42.841%0.40524%0.238SC..Hα-helixtrans-64.3-40.6177.8-178.30000112.4K23 I24 K30K23-C26 PolarHBondContact O-N 3.1Å; I24-C26 VanDerWaalsContact C-N 3.32Å; I24-C26 PolarHBondContact O-N 3.38Å; C26-K30 WeakPolarHBondContact O-CG 3.42Å; C26-K30 PolarHBondContact O-N 3.29Å; C26-K30 VanDerWaalsContact O-N 3.11Å
27L98.6Very high97.3Very high0 Ų046.9 Ų46.90%026%0.257CS..Hα-helixtrans-63.7-44.1177.1178.658.3000111.8L13 K23 I24 P25 K30 L31 L89 A91 V182 I185 V186L13-L27 HydrophobicContact CD1-CD2 4.13Å; L13-L27 HydrophobicContact CD2-CD2 4.06Å; L13-L27 HydrophobicContact CD2-CG 4.34Å; K23-L27 PolarHBondContact O-N 3.36Å; I24-L27 HydrophobicContact CD1-CD2 4.33Å; I24-L27 PolarHBondContact O-N 3.08Å; I24-L27 VanDerWaalsContact O-N 3.14Å; P25-L27 PolarHBondContact O-N 3.5Å; L27-K30 PolarHBondContact O-N 3.27Å; L27-L31 HydrophobicContact CD1-CD1 3.99Å; L27-L31 HydrophobicContact CD1-CG 4.11Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.48Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.43Å; L27-L89 HydrophobicContact CD2-CD2 4.36Å; L27-A91 HydrophobicContact CD2-CB 4.16Å; L27-V182 HydrophobicContact CB-CG1 4.18Å; L27-V182 HydrophobicContact CB-CG2 4.23Å; L27-V182 HydrophobicContact CD1-CG1 3.97Å; L27-I185 HydrophobicContact CD1-CB 4.32Å; L27-I185 HydrophobicContact CD1-CG2 3.94Å; L27-V186 HydrophobicContact CD1-CG2 3.95Å
28V98.5Very high97.3Very high1 Ų146 Ų461%0.00625%0.247CC..Hα-helixtrans-60.7-50.5177.5170.50000110.7L13 I24 P25 K30 L31 L32 L40 V55 V57L13-V28 HydrophobicContact CD2-CG2 3.99Å; I24-V28 HydrophobicContact CG2-CG2 4.01Å; I24-V28 WeakPolarHBondContact O-CG2 3.29Å; I24-V28 PolarHBondContact O-N 3.23Å; P25-V28 PolarHBondContact O-N 3.35Å; V28-K30 VanDerWaalsContact C-N 3.28Å; V28-K30 PolarHBondContact O-N 3.46Å; V28-L31 PolarHBondContact O-N 2.84Å; V28-L31 VanDerWaalsContact O-N 3.16Å; V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 HydrophobicContact CG1-CG 4.34Å; V28-L32 WeakPolarHBondContact O-CG 3.4Å; V28-L32 PolarHBondContact O-N 3.45Å; V28-L40 HydrophobicContact CG2-CD1 3.84Å; V28-L40 HydrophobicContact CG2-CD2 4.3Å; V28-V55 HydrophobicContact CB-CG1 4.46Å; V28-V55 HydrophobicContact CG2-CG1 4.11Å; V28-V57 HydrophobicContact CG1-CB 4.43Å; V28-V57 HydrophobicContact CG1-CG1 3.75Å; V28-V57 HydrophobicContact CG1-CG2 3.75Å; V28-V57 HydrophobicContact CG2-CG2 4.41Å
29E98.2Very high97.4Very high123 Ų12347.8 Ų47.858%0.57525%0.251SS*.Hα-helixtrans-53.8-45.8177.8-75.1178.217900111.8P25 L32 E33P25-E29 WeakPolarHBondContact O-CG 3.45Å; P25-E29 PolarHBondContact O-N 2.88Å; E29-L32 PolarHBondContact O-N 3.5Å; E29-E33 WeakPolarHBondContact O-CB 3.46Å; E29-E33 PolarHBondContact O-N 3.17Å
30K98Very high97.5Very high87 Ų8744.9 Ų44.938%0.37823%0.233SC..Hα-helixtrans-68.8-34.5-179.6-70.3-70.6166.7-158.70113.6C26 L27 V28 E33 I34 V182 V186C26-K30 WeakPolarHBondContact O-CG 3.42Å; C26-K30 PolarHBondContact O-N 3.29Å; C26-K30 VanDerWaalsContact O-N 3.11Å; L27-K30 PolarHBondContact O-N 3.27Å; V28-K30 VanDerWaalsContact C-N 3.28Å; V28-K30 PolarHBondContact O-N 3.46Å; K30-E33 WeakPolarHBondContact CD-OE2 3.3Å; K30-E33 IonicContact NZ-OE1 3.38Å; K30-E33 IonicContact NZ-OE2 2.74Å; K30-E33 PolarHBondContact NZ-OE2 2.75Å; K30-I34 PolarHBondContact O-N 3.35Å; K30-V182 HydrophobicContact CB-CG1 4.23Å; K30-V182 HydrophobicContact CG-CG1 4.06Å; K30-V186 HydrophobicContact CB-CG2 3.72Å
31L97.7Very high97.6Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-68.4-40.8175.4-70.7168.9000111.6L11 L13 L27 V28 I34 G35 F36 V38 L89 V186 L189L11-L31 HydrophobicContact CD2-CD1 4.13Å; L13-L31 HydrophobicContact CD2-CD1 4.42Å; L27-L31 HydrophobicContact CD1-CD1 3.99Å; L27-L31 HydrophobicContact CD1-CG 4.11Å; L27-L31 HydrophobicContact CG-CD1 3.93Å; L27-L31 HydrophobicContact CG-CG 4.48Å; L27-L31 VanDerWaalsContact O-CG 3.26Å; L27-L31 WeakPolarHBondContact O-CG 3.38Å; L27-L31 PolarHBondContact O-N 3.43Å; V28-L31 PolarHBondContact O-N 2.84Å; V28-L31 VanDerWaalsContact O-N 3.16Å; L31-I34 VanDerWaalsContact O-CG1 3.25Å; L31-I34 WeakPolarHBondContact O-CG1 3.35Å; L31-I34 PolarHBondContact O-N 3.41Å; L31-G35 PolarHBondContact O-N 2.88Å; L31-F36 HydrophobicContact CD2-CD2 3.95Å; L31-F36 HydrophobicContact CD2-CE2 4.31Å; L31-F36 WeakPolarHBondContact O-CB 3.31Å; L31-F36 PolarHBondContact O-N 2.97Å; L31-F36 VanDerWaalsContact O-N 3.12Å; L31-V38 HydrophobicContact CB-CG2 3.83Å; L31-L89 HydrophobicContact CD1-CD2 4.46Å; L31-V186 HydrophobicContact CD2-CG2 4.25Å; L31-V186 HydrophobicContact CG-CG2 4.46Å; L31-L189 HydrophobicContact CD2-CD1 3.62Å
32L96.9Very high97.6Very high64 Ų6444 Ų4434%0.33523%0.226SC..Hα-helixtrans-63.9-43.5174.2-65.3175.4000111.4V28 E29 I34 G35 F36 V38 V57V28-L32 HydrophobicContact CG1-CD1 3.99Å; V28-L32 HydrophobicContact CG1-CG 4.34Å; V28-L32 WeakPolarHBondContact O-CG 3.4Å; V28-L32 PolarHBondContact O-N 3.45Å; E29-L32 PolarHBondContact O-N 3.5Å; L32-I34 PolarHBondContact O-N 3.44Å; L32-G35 PolarHBondContact O-N 3.47Å; L32-F36 WeakPolarHBondContact CD2-O 3.5Å; L32-V38 HydrophobicContact CD2-CB 4.25Å; L32-V38 HydrophobicContact CD2-CG2 4.1Å; L32-V57 HydrophobicContact CD1-CG1 3.84Å; L32-V57 HydrophobicContact CD2-CG1 3.98Å; L32-V57 HydrophobicContact CG-CG1 4.31Å
33E96.3Very high97.6Very high137 Ų13738.6 Ų38.664%0.6420%0.198SC*.Hα-helixtrans-56.7-37.1179.3-173-176.7167.400112.4E29 K30 G35E29-E33 WeakPolarHBondContact O-CB 3.46Å; E29-E33 PolarHBondContact O-N 3.17Å; K30-E33 WeakPolarHBondContact CD-OE2 3.3Å; K30-E33 IonicContact NZ-OE1 3.38Å; K30-E33 IonicContact NZ-OE2 2.74Å; K30-E33 PolarHBondContact NZ-OE2 2.75Å; E33-G35 VanDerWaalsContact C-N 3.34Å
34I94.3Very high97.6Very high48 Ų4840.1 Ų40.125%0.24621%0.209CC..THydrogen-bonded Turntrans-85.8-3.2178.866.6164.5000113.9K30 L31 L32 F36 V186 K190 L193K30-I34 PolarHBondContact O-N 3.35Å; L31-I34 VanDerWaalsContact O-CG1 3.25Å; L31-I34 WeakPolarHBondContact O-CG1 3.35Å; L31-I34 PolarHBondContact O-N 3.41Å; L32-I34 PolarHBondContact O-N 3.44Å; I34-F36 HydrophobicContact CD1-CD2 3.71Å; I34-F36 HydrophobicContact CD1-CE2 3.6Å; I34-F36 HydrophobicContact CG1-CD2 3.86Å; I34-F36 HydrophobicContact CG1-CE2 4.24Å; I34-V186 HydrophobicContact CD1-CG1 3.67Å; I34-V186 HydrophobicContact CG1-CG1 4.38Å; I34-V186 HydrophobicContact CG2-CG1 4.12Å; I34-K190 HydrophobicContact CD1-CB 4.36Å; I34-L193 HydrophobicContact CB-CD1 4.06Å; I34-L193 HydrophobicContact CD1-CD1 3.73Å; I34-L193 HydrophobicContact CG1-CD1 3.9Å; I34-L193 WeakPolarHBondContact O-CD1 3.33Å
35G94.3Very high97.6Very high41 Ų4144.7 Ų44.742%0.42323%0.234SC..THydrogen-bonded Turntrans10414.7170.900000116.5L31 L32 E33L31-G35 PolarHBondContact O-N 2.88Å; L32-G35 PolarHBondContact O-N 3.47Å; E33-G35 VanDerWaalsContact C-N 3.34Å
36F96.1Very high97.6Very high7 Ų743.3 Ų43.33%0.03123%0.225CC..  trans-75.6139.9169-76.6-72.9000111.4N9 L11 L31 L32 I34 V38 I87 L189 L193N9-F36 CarbonylContact O-C 3.51Å; N9-F36 WeakPolarHBondContact O-CA 3.26Å; N9-F36 WeakPolarHBondContact O-CD1 3.43Å; L11-F36 HydrophobicContact CB-CB 4.39Å; L11-F36 HydrophobicContact CB-CD1 3.78Å; L11-F36 HydrophobicContact CB-CE1 4.39Å; L11-F36 HydrophobicContact CB-CG 4.23Å; L11-F36 HydrophobicContact CD1-CD1 4.17Å; L11-F36 HydrophobicContact CD1-CE1 4.2Å; L11-F36 HydrophobicContact CD1-CG 4.39Å; L11-F36 HydrophobicContact CD1-CZ 4.39Å; L31-F36 HydrophobicContact CD2-CD2 3.95Å; L31-F36 HydrophobicContact CD2-CE2 4.31Å; L31-F36 WeakPolarHBondContact O-CB 3.31Å; L31-F36 PolarHBondContact O-N 2.97Å; L31-F36 VanDerWaalsContact O-N 3.12Å; L32-F36 WeakPolarHBondContact CD2-O 3.5Å; I34-F36 HydrophobicContact CD1-CD2 3.71Å; I34-F36 HydrophobicContact CD1-CE2 3.6Å; I34-F36 HydrophobicContact CG1-CD2 3.86Å; I34-F36 HydrophobicContact CG1-CE2 4.24Å; F36-V38 HydrophobicContact CB-CG2 3.8Å; F36-I87 HydrophobicContact CE1-CD1 3.76Å; F36-I87 HydrophobicContact CZ-CD1 4.15Å; F36-L189 HydrophobicContact CE2-CB 3.89Å; F36-L189 HydrophobicContact CZ-CB 4.09Å; F36-L193 HydrophobicContact CD1-CD2 3.92Å; F36-L193 HydrophobicContact CD2-CD1 4.21Å; F36-L193 HydrophobicContact CD2-CD2 4.15Å; F36-L193 HydrophobicContact CD2-CG 4.31Å; F36-L193 HydrophobicContact CE1-CD2 3.65Å; F36-L193 HydrophobicContact CE1-CG 4.08Å; F36-L193 HydrophobicContact CE2-CD1 3.82Å; F36-L193 HydrophobicContact CE2-CD2 3.92Å; F36-L193 HydrophobicContact CE2-CG 3.69Å; F36-L193 HydrophobicContact CG-CD2 4.14Å; F36-L193 HydrophobicContact CZ-CD1 4.22Å; F36-L193 HydrophobicContact CZ-CD2 3.67Å; F36-L193 HydrophobicContact CZ-CG 3.56Å
37E97Very high97.6Very high85 Ų8543.1 Ų43.140%0.39722%0.22SC..EExtended strand (participates in β ladder)trans-84.3116.5157.6-167.5-171.8150.600107.1N9 K10 L11 W84N9-E37 PolarHBondContact O-N 3.32Å; K10-E37 HydrophobicContact CG-CB 4.4Å; L11-E37 PolarHBondContact N-O 2.84Å; E37-W84 HydrophobicContact CB-CZ2 4.25Å; E37-W84 HydrophobicContact CG-CH2 4.48Å; E37-W84 HydrophobicContact CG-CZ2 3.81Å; E37-W84 WeakPolarHBondContact O-CH2 3.14Å; E37-W84 WeakPolarHBondContact OE1-CZ2 3.26Å; E37-W84 PolarHBondContact OE1-NE1 2.97Å
38V98.3Very high97.6Very high5 Ų548.9 Ų48.93%0.0325%0.25CS..EExtended strand (participates in β ladder)trans-111.3136.6-170.5-178.90000111.1L11 L13 L31 L32 F36 L40 V57L11-V38 HydrophobicContact CD2-CG1 4.13Å; L11-V38 HydrophobicContact CD2-CG2 4.3Å; L11-V38 WeakPolarHBondContact O-CA 3.44Å; L13-V38 HydrophobicContact CB-CG1 4.25Å; L31-V38 HydrophobicContact CB-CG2 3.83Å; L32-V38 HydrophobicContact CD2-CB 4.25Å; L32-V38 HydrophobicContact CD2-CG2 4.1Å; F36-V38 HydrophobicContact CB-CG2 3.8Å; V38-L40 HydrophobicContact CG1-CD1 3.72Å; V38-V57 HydrophobicContact CB-CG1 4.36Å
39R98.7Very high97.6Very high57 Ų5752.3 Ų52.322%0.21527%0.265CS..EExtended strand (participates in β ladder)trans-126.5138.5165-67.9178.7-175.9-172.70.5109.7L11 I12 L13 P58 Y60 W84L11-R39 PolarHBondContact O-N 2.95Å; I12-R39 WeakPolarHBondContact CA-O 3.45Å; I12-R39 HydrophobicContact CG1-CB 4.45Å; L13-R39 PolarHBondContact N-O 3.24Å; R39-P58 HydrophobicContact CG-CB 4.26Å; R39-P58 HydrophobicContact CG-CG 4.34Å; R39-Y60 HydrophobicContact CB-CE2 4.13Å; R39-Y60 HydrophobicContact CG-CE2 4.25Å; R39-W84 HydrophobicContact CB-CH2 4.04Å; R39-W84 HydrophobicContact CB-CZ3 3.93Å; R39-W84 HydrophobicContact CG-CE3 4.4Å; R39-W84 HydrophobicContact CG-CH2 3.57Å; R39-W84 HydrophobicContact CG-CZ2 3.92Å; R39-W84 HydrophobicContact CG-CZ3 3.83Å; R39-W84 VanDerWaalsContact CZ-CE2 3.48Å; R39-W84 VanDerWaalsContact NE-CE2 3.32Å
40L98.7Very high97.5Very high0 Ų047.3 Ų47.30%024%0.242CC..EExtended strand (participates in β ladder)trans-96.4139.2179-90.160.6000111.1L13 V15 I24 V28 V38 V42 F50 V55 V57 P58 V59 Y60L13-L40 HydrophobicContact CB-CD1 4.05Å; L13-L40 HydrophobicContact CB-CG 4.28Å; L13-L40 HydrophobicContact CD2-CD1 4.11Å; L13-L40 HydrophobicContact CD2-CG 4.3Å; L13-L40 HydrophobicContact CG-CD1 4.45Å; L13-L40 HydrophobicContact CG-CG 4.38Å; L13-L40 WeakPolarHBondContact O-CA 3.37Å; V15-L40 HydrophobicContact CG2-CD2 4.32Å; V15-L40 HydrophobicContact CG2-CG 4.31Å; I24-L40 HydrophobicContact CG2-CD2 3.77Å; V28-L40 HydrophobicContact CG2-CD1 3.84Å; V28-L40 HydrophobicContact CG2-CD2 4.3Å; V38-L40 HydrophobicContact CG1-CD1 3.72Å; L40-V42 HydrophobicContact CB-CG1 4.07Å; L40-V42 HydrophobicContact CD2-CG1 4.35Å; L40-F50 HydrophobicContact CD2-CE2 4.44Å; L40-V55 HydrophobicContact CD2-CG1 4.38Å; L40-V55 HydrophobicContact CD2-CG2 4.21Å; L40-V57 HydrophobicContact CD1-CG2 3.47Å; L40-V57 VanDerWaalsContact CD1-CG2 3.47Å; L40-P58 PolarHBondContact N-O 2.79Å; L40-V59 HydrophobicContact CB-CB 4.42Å; L40-V59 HydrophobicContact CB-CG1 4.15Å; L40-V59 HydrophobicContact CB-CG2 4.23Å; L40-V59 HydrophobicContact CD2-CG2 4.37Å; L40-Y60 WeakPolarHBondContact O-CD2 3.37Å; L40-Y60 PolarHBondContact O-N 3Å
41V98.8Very high97.5Very high0 Ų045.7 Ų45.70%024%0.242CC..EExtended strand (participates in β ladder)trans-119.2110.7164.9-179.90000107.7I12 L13 G14 V15 Y60 L81 L109 L110 L113I12-V41 HydrophobicContact CD1-CG2 4.44Å; I12-V41 HydrophobicContact CG2-CB 4.26Å; I12-V41 HydrophobicContact CG2-CG2 3.75Å; L13-V41 PolarHBondContact O-N 3.3Å; G14-V41 CarbonylContact C-O 3.57Å; G14-V41 VanDerWaalsContact CA-O 3.32Å; G14-V41 WeakPolarHBondContact CA-O 3.32Å; V15-V41 PolarHBondContact N-O 2.78Å; V41-Y60 WeakPolarHBondContact CA-O 3.25Å; V41-L81 HydrophobicContact CG2-CD1 3.8Å; V41-L109 HydrophobicContact CG1-CB 4.3Å; V41-L109 HydrophobicContact CG1-CD2 3.84Å; V41-L109 HydrophobicContact CG1-CG 3.66Å; V41-L110 HydrophobicContact CB-CD1 4.26Å; V41-L110 HydrophobicContact CG1-CB 3.86Å; V41-L110 HydrophobicContact CG1-CD1 4.1Å; V41-L113 HydrophobicContact CG2-CD2 3.93Å
42V98.7Very high97.4Very high0 Ų047.2 Ų47.20%025%0.251CS..EExtended strand (participates in β ladder)trans-110.2131.8-170.4-540000109.6V15 L40 L47 F50 V59 Y60 K61V15-V42 HydrophobicContact CB-CG1 4.12Å; V15-V42 HydrophobicContact CG2-CG1 4.22Å; L40-V42 HydrophobicContact CB-CG1 4.07Å; L40-V42 HydrophobicContact CD2-CG1 4.35Å; V42-L47 HydrophobicContact CB-CD2 4.36Å; V42-L47 HydrophobicContact CG2-CD2 3.85Å; V42-L47 HydrophobicContact CG2-CG 4.31Å; V42-F50 HydrophobicContact CG1-CZ 3.8Å; V42-V59 HydrophobicContact CB-CG1 4.39Å; V42-V59 HydrophobicContact CG1-CG1 3.63Å; V42-V59 HydrophobicContact CG2-CG1 3.77Å; V42-Y60 PolarHBondContact N-O 3.26Å; V42-K61 HydrophobicContact CG2-CB 4.41Å; V42-K61 HydrophobicContact CG2-CG 3.78Å
43T98.7Very high97.4Very high4 Ų451 Ų513%0.02527%0.271CS..  trans-77151.3169.363.70000110.1V15 T16 N45 S46 L110V15-T43 PolarHBondContact O-N 3.45Å; V15-T43 PolarHBondContact O-OG1 2.87Å; T16-T43 WeakPolarHBondContact CA-OG1 3.44Å; T16-T43 HydrophobicContact CG2-CG2 4.27Å; T43-N45 PolarHBondContact O-N 3.48Å; T43-N45 VanDerWaalsContact O-N 3.16Å; T43-S46 PolarHBondContact N-OG 3.21Å; T43-S46 WeakPolarHBondContact O-CB 3.4Å; T43-S46 PolarHBondContact O-N 3.28Å; T43-S46 PolarHBondContact O-OG 3.43Å; T43-S46 PolarHBondContact OG1-N 2.95Å; T43-L110 HydrophobicContact CG2-CB 4.15Å; T43-L110 HydrophobicContact CG2-CD2 3.92Å
44D97.7Very high97.5Very high93 Ų9348.1 Ų48.150%0.49726%0.263SS..G310 helixtrans-53.8-39.4177.1-71.4-18.6000112.6S46 L47 D62D44-S46 VanDerWaalsContact C-N 3.26Å; D44-S46 PolarHBondContact O-N 3.45Å; D44-L47 WeakPolarHBondContact O-CB 3.37Å; D44-L47 PolarHBondContact O-N 3.37Å; D44-D62 PolarHBondContact N-OD2 3.25Å
45N98.2Very high97.6Very high97 Ų9746.9 Ų46.952%0.51926%0.258SS..G310 helixtrans-64.5-27.2178-75.8-34.9000113.8T43 L47 N48 F49T43-N45 PolarHBondContact O-N 3.48Å; T43-N45 VanDerWaalsContact O-N 3.16Å; N45-L47 VanDerWaalsContact C-N 3.3Å; N45-N48 PolarHBondContact O-ND2 3.04Å; N45-F49 WeakPolarHBondContact O-CE2 3.46Å
46S98.3Very high97.7Very high0 Ų049.6 Ų49.60%027%0.271CS..G310 helixtrans-70.5-28.5178.872.20000112.9V15 T16 T43 D44 N48 F49 F50V15-S46 PolarHBondContact O-OG 2.87Å; T16-S46 VanDerWaalsContact C-CB 3.5Å; T16-S46 WeakPolarHBondContact O-CB 3.49Å; T43-S46 PolarHBondContact N-OG 3.21Å; T43-S46 WeakPolarHBondContact O-CB 3.4Å; T43-S46 PolarHBondContact O-N 3.28Å; T43-S46 PolarHBondContact O-OG 3.43Å; T43-S46 PolarHBondContact OG1-N 2.95Å; D44-S46 VanDerWaalsContact C-N 3.26Å; D44-S46 PolarHBondContact O-N 3.45Å; S46-N48 PolarHBondContact O-N 3.1Å; S46-N48 VanDerWaalsContact O-N 3.12Å; S46-F49 PolarHBondContact O-N 3.32Å; S46-F50 WeakPolarHBondContact O-CD1 3.17Å
47L98Very high97.8Very high56 Ų5650.1 Ų50.129%0.29327%0.274SS..G310 helixtrans-67.9-10.7-178.6-62.1177.7000113.3V42 D44 N45 F49 F50 V52 K61V42-L47 HydrophobicContact CB-CD2 4.36Å; V42-L47 HydrophobicContact CG2-CD2 3.85Å; V42-L47 HydrophobicContact CG2-CG 4.31Å; D44-L47 WeakPolarHBondContact O-CB 3.37Å; D44-L47 PolarHBondContact O-N 3.37Å; N45-L47 VanDerWaalsContact C-N 3.3Å; L47-F49 PolarHBondContact O-N 3.5Å; L47-F50 HydrophobicContact CD2-CE1 4.47Å; L47-V52 HydrophobicContact CD2-CG1 3.61Å; L47-K61 HydrophobicContact CD1-CD 4.44Å
48N98Very high97.8Very high121 Ų12149.3 Ų49.365%0.64728%0.276SS*.G310 helixtrans-71.7-15.7171.1-64.8-69.5000113.3N45 S46N45-N48 PolarHBondContact O-ND2 3.04Å; S46-N48 PolarHBondContact O-N 3.1Å; S46-N48 VanDerWaalsContact O-N 3.12Å
49F97.7Very high97.8Very high73 Ų7350.8 Ų50.832%0.3229%0.285SS..THydrogen-bonded Turntrans-115.8-13.4-170.1-55.7-63.9000114.1S18 V19 A21 N45 S46 L47S18-F49 VanDerWaalsContact O-CD2 3.26Å; S18-F49 WeakPolarHBondContact O-CD2 3.41Å; V19-F49 HydrophobicContact CB-CD1 4.18Å; V19-F49 HydrophobicContact CB-CE1 4.31Å; V19-F49 HydrophobicContact CG1-CD1 4.16Å; V19-F49 HydrophobicContact CG2-CD1 4Å; V19-F49 HydrophobicContact CG2-CE1 3.63Å; V19-F49 HydrophobicContact CG2-CZ 4.21Å; A21-F49 HydrophobicContact CB-CB 3.95Å; N45-F49 WeakPolarHBondContact O-CE2 3.46Å; S46-F49 PolarHBondContact O-N 3.32Å; L47-F49 PolarHBondContact O-N 3.5Å
50F97.5Very high97.8Very high18 Ų1850.5 Ų50.58%0.07928%0.284CS..SBendtrans-155.4156.5174.280.1-68.3000110.3V15 A21 I24 L40 V42 S46 L47V15-F50 HydrophobicContact CG1-CE1 3.74Å; V15-F50 HydrophobicContact CG1-CZ 4.14Å; A21-F50 HydrophobicContact CB-CD1 3.98Å; A21-F50 HydrophobicContact CB-CE1 4.43Å; I24-F50 HydrophobicContact CB-CD2 4.23Å; I24-F50 HydrophobicContact CB-CE2 4.32Å; I24-F50 HydrophobicContact CG2-CD2 4.26Å; I24-F50 HydrophobicContact CG2-CE2 3.93Å; I24-F50 HydrophobicContact CG2-CZ 4.35Å; L40-F50 HydrophobicContact CD2-CE2 4.44Å; V42-F50 HydrophobicContact CG1-CZ 3.8Å; S46-F50 WeakPolarHBondContact O-CD1 3.17Å; L47-F50 HydrophobicContact CD2-CE1 4.47Å
51S97.1Very high97.8Very high54 Ų5454 Ų5438%0.37830%0.299SS..  trans-93.4145173.9178.50000110.7D53 T54S51-D53 PolarHBondContact O-N 3.39Å; S51-D53 PolarHBondContact OG-N 3.44Å; S51-D53 PolarHBondContact OG-OD2 2.91Å; S51-T54 PolarHBondContact O-N 2.9Å; S51-T54 PolarHBondContact O-OG1 3.15Å
52V97Very high97.6Very high31 Ų3155.1 Ų55.119%0.18831%0.306CS..G310 helixtrans-64.2-23.1172.6-60.30000112.6L47 T54 V55 V59L47-V52 HydrophobicContact CD2-CG1 3.61Å; V52-T54 PolarHBondContact O-N 3.46Å; V52-V55 WeakPolarHBondContact O-CG2 3.29Å; V52-V55 PolarHBondContact O-N 2.86Å; V52-V59 HydrophobicContact CB-CG1 4.45Å; V52-V59 HydrophobicContact CB-CG2 4.42Å; V52-V59 HydrophobicContact CG1-CB 4.5Å; V52-V59 HydrophobicContact CG1-CG1 3.85Å
53D96.7Very high97.5Very high144 Ų14460.2 Ų60.277%0.7733%0.332SS*.G310 helixtrans-75-10.3-179.7-55.6-41.7000112.8S51 V55S51-D53 PolarHBondContact O-N 3.39Å; S51-D53 PolarHBondContact OG-N 3.44Å; S51-D53 PolarHBondContact OG-OD2 2.91Å; D53-V55 VanDerWaalsContact C-N 3.31Å
54T96.8Very high97.3Very high77 Ų7762 Ų6247%0.47234%0.341SS..G310 helixtrans-89.13.6178.463.30000113.2P25 S51 V52P25-T54 VanDerWaalsContact CG-OG1 3.24Å; P25-T54 WeakPolarHBondContact CG-OG1 3.13Å; S51-T54 PolarHBondContact O-N 2.9Å; S51-T54 PolarHBondContact O-OG1 3.15Å; V52-T54 PolarHBondContact O-N 3.46Å
55V97.5Very high97.1Very high21 Ų2158.6 Ų58.613%0.12732%0.322CS..  trans-122.7144.6177.5-66.30000111.2I24 P25 V28 L40 V52 D53 V57 V59I24-V55 HydrophobicContact CG2-CG1 4.08Å; P25-V55 HydrophobicContact CG-CG1 4.33Å; V28-V55 HydrophobicContact CB-CG1 4.46Å; V28-V55 HydrophobicContact CG2-CG1 4.11Å; L40-V55 HydrophobicContact CD2-CG1 4.38Å; L40-V55 HydrophobicContact CD2-CG2 4.21Å; V52-V55 WeakPolarHBondContact O-CG2 3.29Å; V52-V55 PolarHBondContact O-N 2.86Å; D53-V55 VanDerWaalsContact C-N 3.31Å; V55-V57 HydrophobicContact CB-CG2 4.28Å; V55-V57 HydrophobicContact CG2-CG2 4.48Å; V55-V59 HydrophobicContact CG2-CG2 3.6Å
56S95.8Very high96.7Very high99 Ų9961.6 Ų61.669%0.69233%0.326SS*.SBendtrans-98.321.1-174.455.70000114.2
57V98.2Very high96.2Very high18 Ų1865.4 Ų65.411%0.10935%0.35CS..SBendtrans-127.6159.3-172.4-65.20000111V28 L32 V38 L40 V55 V59V28-V57 HydrophobicContact CG1-CB 4.43Å; V28-V57 HydrophobicContact CG1-CG1 3.75Å; V28-V57 HydrophobicContact CG1-CG2 3.75Å; V28-V57 HydrophobicContact CG2-CG2 4.41Å; L32-V57 HydrophobicContact CD1-CG1 3.84Å; L32-V57 HydrophobicContact CD2-CG1 3.98Å; L32-V57 HydrophobicContact CG-CG1 4.31Å; V38-V57 HydrophobicContact CB-CG1 4.36Å; L40-V57 HydrophobicContact CD1-CG2 3.47Å; L40-V57 VanDerWaalsContact CD1-CG2 3.47Å; V55-V57 HydrophobicContact CB-CG2 4.28Å; V55-V57 HydrophobicContact CG2-CG2 4.48Å; V57-V59 WeakPolarHBondContact O-CG2 3.5Å; V57-V59 PolarHBondContact O-N 2.98Å
58P98.3Very high95.3Very high68 Ų6865.4 Ų65.444%0.44236%0.355SS..  trans-58132.9175.5-23.634.2000111.8R39 L40 Y60R39-P58 HydrophobicContact CG-CB 4.26Å; R39-P58 HydrophobicContact CG-CG 4.34Å; L40-P58 PolarHBondContact N-O 2.79Å; P58-Y60 HydrophobicContact CB-CE2 3.98Å
59V98.4Very high94.7Very high35 Ų3564.9 Ų64.921%0.21234%0.344CS..EExtended strand (participates in β ladder)trans-120.8126179.1-172.80000109.3L40 V42 V52 V55 V57L40-V59 HydrophobicContact CB-CB 4.42Å; L40-V59 HydrophobicContact CB-CG1 4.15Å; L40-V59 HydrophobicContact CB-CG2 4.23Å; L40-V59 HydrophobicContact CD2-CG2 4.37Å; V42-V59 HydrophobicContact CB-CG1 4.39Å; V42-V59 HydrophobicContact CG1-CG1 3.63Å; V42-V59 HydrophobicContact CG2-CG1 3.77Å; V52-V59 HydrophobicContact CB-CG1 4.45Å; V52-V59 HydrophobicContact CB-CG2 4.42Å; V52-V59 HydrophobicContact CG1-CB 4.5Å; V52-V59 HydrophobicContact CG1-CG1 3.85Å; V55-V59 HydrophobicContact CG2-CG2 3.6Å; V57-V59 WeakPolarHBondContact O-CG2 3.5Å; V57-V59 PolarHBondContact O-N 2.98Å
60Y98.4Very high94.2Very high52 Ų5268.5 Ų68.520%0.20436%0.359CS..EExtended strand (participates in β ladder)trans-112.4130.9176.6-58-92.4000110R39 L40 V41 V42 P58 D64 L77 L81R39-Y60 HydrophobicContact CB-CE2 4.13Å; R39-Y60 HydrophobicContact CG-CE2 4.25Å; L40-Y60 WeakPolarHBondContact O-CD2 3.37Å; L40-Y60 PolarHBondContact O-N 3Å; V41-Y60 WeakPolarHBondContact CA-O 3.25Å; V42-Y60 PolarHBondContact N-O 3.26Å; P58-Y60 HydrophobicContact CB-CE2 3.98Å; Y60-D64 WeakPolarHBondContact CA-OD2 3.31Å; Y60-L77 HydrophobicContact CD1-CD1 3.86Å; Y60-L77 HydrophobicContact CD1-CD2 3.96Å; Y60-L77 HydrophobicContact CD1-CG 4.45Å; Y60-L77 HydrophobicContact CE1-CD1 3.86Å; Y60-L81 HydrophobicContact CD2-CD2 3.86Å; Y60-L81 HydrophobicContact CE1-CD2 4.38Å; Y60-L81 HydrophobicContact CE2-CD2 3.71Å; Y60-L81 HydrophobicContact CG-CD1 4.29Å; Y60-L81 HydrophobicContact CG-CD2 4.28Å
61K97.9Very high93.8Very high72 Ų7274.4 Ų74.431%0.31339%0.385SS..EExtended strand (participates in β ladder)trans-108.5166.1-177.8-57.8172.5-171174.90110.2V42 L47 I63 D64 L109V42-K61 HydrophobicContact CG2-CB 4.41Å; V42-K61 HydrophobicContact CG2-CG 3.78Å; L47-K61 HydrophobicContact CD1-CD 4.44Å; K61-I63 HydrophobicContact CB-CG2 4.16Å; K61-I63 PolarHBondContact O-N 2.74Å; K61-I63 VanDerWaalsContact O-N 3.15Å; K61-D64 PolarHBondContact N-OD2 2.98Å; K61-D64 WeakPolarHBondContact O-CB 3.29Å; K61-D64 PolarHBondContact O-N 3.41Å; K61-L109 VanDerWaalsContact O-CD2 3.24Å; K61-L109 WeakPolarHBondContact O-CD2 3.49Å
62D95.7Very high93.3Very high24 Ų2483.2 Ų83.213%0.12841%0.41CS..THydrogen-bonded Turntrans-56.5-34.4179.6-68.6-33.4000112.6D44 D64 N108 L109D44-D62 PolarHBondContact N-OD2 3.25Å; D62-D64 VanDerWaalsContact C-N 3.31Å; D62-D64 PolarHBondContact O-N 3.32Å; D62-N108 WeakPolarHBondContact OD1-CB 3.39Å; D62-L109 WeakPolarHBondContact OD1-CB 3.24Å; D62-L109 PolarHBondContact OD1-N 3.47Å
63I95.2Very high92.9Very high107 Ų10785.4 Ų85.455%0.54944%0.438SS..THydrogen-bonded Turntrans-68.8-24.9177.4-165.959.6000113.9K61 E65 W66 T67K61-I63 HydrophobicContact CB-CG2 4.16Å; K61-I63 PolarHBondContact O-N 2.74Å; K61-I63 VanDerWaalsContact O-N 3.15Å; I63-E65 PolarHBondContact O-N 2.95Å; I63-W66 PolarHBondContact O-N 3.18Å; I63-T67 PolarHBondContact O-OG1 3.04Å
64D95.8Very high92.6Very high41 Ų4180.3 Ų80.322%0.21941%0.411CS..Hα-helixtrans-70.5-22.9-173.2-64.4-36.9000112.6Y60 K61 D62 W66 T67 L77Y60-D64 WeakPolarHBondContact CA-OD2 3.31Å; K61-D64 PolarHBondContact N-OD2 2.98Å; K61-D64 WeakPolarHBondContact O-CB 3.29Å; K61-D64 PolarHBondContact O-N 3.41Å; D62-D64 VanDerWaalsContact C-N 3.31Å; D62-D64 PolarHBondContact O-N 3.32Å; D64-W66 PolarHBondContact O-N 3.45Å; D64-T67 PolarHBondContact O-N 3.24Å; D64-T67 VanDerWaalsContact O-N 3.15Å; D64-L77 HydrophobicContact CB-CD2 3.78Å
65E91.7Very high92.3Very high22 Ų2279.7 Ų79.710%0.10341%0.409CS..Hα-helixtrans-53.8-36.6173.9-174.765.6-15300111.7I63 V76 L77 H78 L109I63-E65 PolarHBondContact O-N 2.95Å; E65-V76 WeakPolarHBondContact OE1-CG1 3.07Å; E65-L77 WeakPolarHBondContact OE2-CB 3.14Å; E65-H78 VanDerWaalsContact CD-ND1 3.3Å; E65-H78 IonicContact OE1-CE1 3.28Å; E65-H78 PolarHBondContact OE1-CE1 3.3Å; E65-H78 IonicContact OE1-CG 2.95Å; E65-H78 IonicContact OE1-ND1 2.85Å; E65-H78 PolarHBondContact OE1-ND1 3.1Å; E65-H78 IonicContact OE2-CG 2.58Å; E65-H78 PolarHBondContact OE2-N 3.07Å; E65-H78 IonicContact OE2-ND1 3.02Å; E65-H78 PolarHBondContact OE2-ND1 3.33Å; E65-L109 HydrophobicContact CB-CD1 4.43Å; E65-L109 WeakPolarHBondContact OE2-CD1 3.43Å
66W91Very high92.2Very high160 Ų16081 Ų8161%0.60642%0.417SS*.Hα-helixtrans-97.5-9.9-176.5-53.3105.5000113.5I63 D64 W69 K70I63-W66 PolarHBondContact O-N 3.18Å; D64-W66 PolarHBondContact O-N 3.45Å; W66-W69 HydrophobicContact CE3-CE3 4.36Å; W66-W69 HydrophobicContact CZ3-CE3 4.34Å; W66-K70 PolarHBondContact O-NZ 3.3Å
67T88.4Confident92.2Very high80 Ų8076.7 Ų76.749%0.49139%0.385SS..Hα-helixtrans-70.8-42.4176.4-58.10000110.2I63 D64 K70I63-T67 PolarHBondContact O-OG1 3.04Å; D64-T67 PolarHBondContact O-N 3.24Å; D64-T67 VanDerWaalsContact O-N 3.15Å; T67-K70 WeakPolarHBondContact O-CE 3.33Å; T67-K70 PolarHBondContact O-NZ 3.13Å
68S77.5Confident92.1Very high57 Ų5777.2 Ų77.240%0.39939%0.387SS..Hα-helixtrans-81-27.3-178.2-56.60000114.2
69W85.4Confident92Very high110 Ų11077.1 Ų77.142%0.41738%0.382SS..  trans-95.9111.5-176.7-168.686.7000111.7W66W66-W69 HydrophobicContact CE3-CE3 4.36Å; W66-W69 HydrophobicContact CZ3-CE3 4.34Å
70K87.2Confident91.8Very high148 Ų14879.7 Ų79.764%0.64339%0.392SS*.SBendtrans-118.2-29.5177.4-58.7-58.5176.6-149.20113.1W66 T67 D74W66-K70 PolarHBondContact O-NZ 3.3Å; T67-K70 WeakPolarHBondContact O-CE 3.33Å; T67-K70 PolarHBondContact O-NZ 3.13Å; K70-D74 WeakPolarHBondContact CA-OD2 3.49Å; K70-D74 WeakPolarHBondContact CB-OD2 3.14Å; K70-D74 PolarHBondContact N-OD2 3.29Å
71K89.1Confident91.8Very high142 Ų14277.3 Ų77.362%0.61738%0.382SS*.SBendtrans-147.2165179.161.3179.6179.6-173.60111.2G73 D74K71-G73 PolarHBondContact O-N 3.02Å; K71-D74 WeakPolarHBondContact CE-OD1 3.48Å; K71-D74 WeakPolarHBondContact CG-OD1 3.27Å; K71-D74 WeakPolarHBondContact CG-OD2 3.32Å; K71-D74 PolarHBondContact N-OD2 2.9Å; K71-D74 WeakPolarHBondContact O-CB 3.37Å; K71-D74 PolarHBondContact O-N 3.39Å; K71-D74 VanDerWaalsContact O-N 3.1Å
72R88.2Confident91.6Very high240 Ų24075.3 Ų75.391%0.90637%0.373SS*.THydrogen-bonded Turntrans-57.2129.2172.5-171.5176.6-176.5178.90.9110.1
73G88.7Confident91.5Very high76 Ų7678.5 Ų78.578%0.78439%0.39SS*.THydrogen-bonded Turntrans100.5-14.1-177.800000113.9K71K71-G73 PolarHBondContact O-N 3.02Å
74D90.5Very high91.5Very high38 Ų3875.2 Ų75.220%0.20337%0.371CS..SBendtrans-67.6152.6170.4-64.6-12.8000110.4K70 K71K70-D74 WeakPolarHBondContact CA-OD2 3.49Å; K70-D74 WeakPolarHBondContact CB-OD2 3.14Å; K70-D74 PolarHBondContact N-OD2 3.29Å; K71-D74 WeakPolarHBondContact CE-OD1 3.48Å; K71-D74 WeakPolarHBondContact CG-OD1 3.27Å; K71-D74 WeakPolarHBondContact CG-OD2 3.32Å; K71-D74 PolarHBondContact N-OD2 2.9Å; K71-D74 WeakPolarHBondContact O-CB 3.37Å; K71-D74 PolarHBondContact O-N 3.39Å; K71-D74 VanDerWaalsContact O-N 3.1Å
75P89.9Confident91.4Very high64 Ų6473.2 Ų73.242%0.41636%0.36SS..  trans-61.1147.6177.7-18.329.7000112.8E80P75-E80 HydrophobicContact CB-CG 3.96Å; P75-E80 WeakPolarHBondContact CB-OE1 3.4Å
76V94.8Very high91.4Very high49 Ų4972.9 Ų72.930%0.29736%0.359SS..  trans-105.7112.5177.8179.60000107.7E65 H78 I79 E80E65-V76 WeakPolarHBondContact OE1-CG1 3.07Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.38Å; V76-H78 WeakPolarHBondContact CG1-ND1 3.36Å; V76-H78 PolarHBondContact O-N 3.49Å; V76-I79 HydrophobicContact CB-CB 4.31Å; V76-I79 HydrophobicContact CB-CG1 4.13Å; V76-I79 HydrophobicContact CG1-CG1 3.96Å; V76-I79 WeakPolarHBondContact O-CA 3.34Å; V76-I79 WeakPolarHBondContact O-CB 3.14Å; V76-I79 PolarHBondContact O-N 3.01Å; V76-E80 PolarHBondContact O-N 2.91Å
77L96.6Very high91.6Very high7 Ų765.2 Ų65.24%0.03733%0.33CS..Hα-helixtrans-58.8-47.4-164.6175.564.6000112.6Y60 D64 E65 I79 E80 L81 L109Y60-L77 HydrophobicContact CD1-CD1 3.86Å; Y60-L77 HydrophobicContact CD1-CD2 3.96Å; Y60-L77 HydrophobicContact CD1-CG 4.45Å; Y60-L77 HydrophobicContact CE1-CD1 3.86Å; D64-L77 HydrophobicContact CB-CD2 3.78Å; E65-L77 WeakPolarHBondContact OE2-CB 3.14Å; L77-I79 PolarHBondContact O-N 3.4Å; L77-E80 PolarHBondContact O-N 3.15Å; L77-E80 VanDerWaalsContact O-N 3.1Å; L77-L81 HydrophobicContact CD1-CD1 4.04Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 3.92Å; L77-L81 HydrophobicContact CD2-CD1 4.49Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.22Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 WeakPolarHBondContact O-CG 3.36Å; L77-L81 PolarHBondContact O-N 2.78Å; L77-L109 HydrophobicContact CD2-CD1 4.16Å; L77-L109 HydrophobicContact CD2-CD2 3.99Å; L77-L109 HydrophobicContact CG-CD1 4.28Å
78H96.3Very high92Very high30 Ų3061.4 Ų61.414%0.13931%0.307CS..Hα-helixtrans-59.1-30.2177.266.1-96.5000113.4E65 V76 R82 L109 T112 L113E65-H78 VanDerWaalsContact CD-ND1 3.3Å; E65-H78 IonicContact OE1-CE1 3.28Å; E65-H78 PolarHBondContact OE1-CE1 3.3Å; E65-H78 IonicContact OE1-CG 2.95Å; E65-H78 IonicContact OE1-ND1 2.85Å; E65-H78 PolarHBondContact OE1-ND1 3.1Å; E65-H78 IonicContact OE2-CG 2.58Å; E65-H78 PolarHBondContact OE2-N 3.07Å; E65-H78 IonicContact OE2-ND1 3.02Å; E65-H78 PolarHBondContact OE2-ND1 3.33Å; V76-H78 WeakPolarHBondContact CG1-CE1 3.38Å; V76-H78 WeakPolarHBondContact CG1-ND1 3.36Å; V76-H78 PolarHBondContact O-N 3.49Å; H78-R82 WeakPolarHBondContact O-CB 3.36Å; H78-R82 PolarHBondContact O-N 2.87Å; H78-R82 VanDerWaalsContact O-N 3.12Å; H78-L109 HydrophobicContact CB-CD1 3.97Å; H78-T112 HydrophobicContact CB-CG2 4.33Å; H78-L113 HydrophobicContact CB-CB 4.19Å; H78-L113 WeakPolarHBondContact O-CD1 3.36Å
79I94.9Very high93Very high66 Ų6658.7 Ų58.734%0.33829%0.288SS..Hα-helixtrans-75.6-40.6175-59.6-60000111.2V76 L77 R82 N83 A116V76-I79 HydrophobicContact CB-CB 4.31Å; V76-I79 HydrophobicContact CB-CG1 4.13Å; V76-I79 HydrophobicContact CG1-CG1 3.96Å; V76-I79 WeakPolarHBondContact O-CA 3.34Å; V76-I79 WeakPolarHBondContact O-CB 3.14Å; V76-I79 PolarHBondContact O-N 3.01Å; L77-I79 PolarHBondContact O-N 3.4Å; I79-R82 PolarHBondContact O-N 3.33Å; I79-N83 WeakPolarHBondContact O-CB 3.26Å; I79-N83 PolarHBondContact O-N 3.07Å; I79-N83 PolarHBondContact O-ND2 2.66Å; I79-A116 HydrophobicContact CD1-CB 3.89Å
80E95.6Very high93.7Very high89 Ų8953.5 Ų53.542%0.41627%0.268SS..Hα-helixtrans-62.2-47.9175.7-68-167.5133.400111.8P75 V76 L77 R82 N83 W84P75-E80 HydrophobicContact CB-CG 3.96Å; P75-E80 WeakPolarHBondContact CB-OE1 3.4Å; V76-E80 PolarHBondContact O-N 2.91Å; L77-E80 PolarHBondContact O-N 3.15Å; L77-E80 VanDerWaalsContact O-N 3.1Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.83Å; E80-N83 PolarHBondContact O-N 2.85Å; E80-W84 WeakPolarHBondContact O-CB 3.5Å; E80-W84 PolarHBondContact O-N 3.14Å
81L96.9Very high94.2Very high2 Ų246.4 Ų46.41%0.0124%0.237CC..Hα-helixtrans-57-47176.1-75.7177.8000111.2I12 V41 Y60 L77 N83 W84 A85 L109 L113I12-L81 HydrophobicContact CD1-CB 3.59Å; I12-L81 HydrophobicContact CD1-CD2 4.08Å; I12-L81 HydrophobicContact CD1-CG 4.31Å; I12-L81 WeakPolarHBondContact CD1-O 3.21Å; V41-L81 HydrophobicContact CG2-CD1 3.8Å; Y60-L81 HydrophobicContact CD2-CD2 3.86Å; Y60-L81 HydrophobicContact CE1-CD2 4.38Å; Y60-L81 HydrophobicContact CE2-CD2 3.71Å; Y60-L81 HydrophobicContact CG-CD1 4.29Å; Y60-L81 HydrophobicContact CG-CD2 4.28Å; L77-L81 HydrophobicContact CD1-CD1 4.04Å; L77-L81 HydrophobicContact CD1-CD2 4.47Å; L77-L81 HydrophobicContact CD1-CG 3.92Å; L77-L81 HydrophobicContact CD2-CD1 4.49Å; L77-L81 HydrophobicContact CG-CD1 3.88Å; L77-L81 HydrophobicContact CG-CG 4.22Å; L77-L81 WeakPolarHBondContact O-CB 3.45Å; L77-L81 WeakPolarHBondContact O-CG 3.36Å; L77-L81 PolarHBondContact O-N 2.78Å; L81-N83 VanDerWaalsContact C-N 3.34Å; L81-N83 PolarHBondContact O-N 2.99Å; L81-W84 PolarHBondContact O-N 3.26Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 2.87Å; L81-L109 HydrophobicContact CD1-CD1 4.19Å; L81-L109 HydrophobicContact CD1-CD2 4.37Å; L81-L113 HydrophobicContact CB-CD1 4.23Å
82R94.9Very high94.7Very high29 Ų2939.7 Ų39.711%0.10921%0.208CC..Hα-helixtrans-60.9-40.9176-177-89.4-163.3-1781.8112.7H78 I79 E80 L113 A116 W117 W118 K128H78-R82 WeakPolarHBondContact O-CB 3.36Å; H78-R82 PolarHBondContact O-N 2.87Å; H78-R82 VanDerWaalsContact O-N 3.12Å; I79-R82 PolarHBondContact O-N 3.33Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 2.83Å; R82-L113 HydrophobicContact CB-CD1 3.54Å; R82-L113 HydrophobicContact CG-CD1 4.32Å; R82-A116 PolarHBondContact NE-O 2.84Å; R82-W117 HydrophobicContact CB-CE3 4.45Å; R82-W117 HydrophobicContact CG-CE3 3.98Å; R82-W117 HydrophobicContact CG-CZ3 4.43Å; R82-W118 PolarHBondContact NH2-O 2.92Å; R82-K128 PolarHBondContact O-NZ 2.85Å
83N92.7Very high95.2Very high92 Ų9228.2 Ų28.249%0.49217%0.165SC..Hα-helixtrans-71.2-39.1180-73.5-17.2000111.5I79 E80 L81 K128I79-N83 WeakPolarHBondContact O-CB 3.26Å; I79-N83 PolarHBondContact O-N 3.07Å; I79-N83 PolarHBondContact O-ND2 2.66Å; E80-N83 PolarHBondContact O-N 2.85Å; L81-N83 VanDerWaalsContact C-N 3.34Å; L81-N83 PolarHBondContact O-N 2.99Å; N83-K128 PolarHBondContact O-NZ 3.1Å
84W94.5Very high95.6Very high37 Ų3725.1 Ų25.114%0.1413%0.131CC..Hα-helixtrans-66-42178.4171.788000113K10 I12 E37 R39 E80 L81K10-W84 HydrophobicContact CB-CD2 4.26Å; K10-W84 HydrophobicContact CB-CE3 4.3Å; K10-W84 HydrophobicContact CB-CH2 3.86Å; K10-W84 HydrophobicContact CB-CZ2 3.82Å; K10-W84 HydrophobicContact CB-CZ3 4.1Å; K10-W84 WeakPolarHBondContact CB-O 3.19Å; K10-W84 HydrophobicContact CD-CD2 4.27Å; K10-W84 HydrophobicContact CD-CG 4.39Å; K10-W84 HydrophobicContact CD-CZ2 4.24Å; K10-W84 WeakPolarHBondContact CD-O 3.42Å; K10-W84 HydrophobicContact CG-CH2 4.35Å; K10-W84 HydrophobicContact CG-CZ2 3.82Å; I12-W84 HydrophobicContact CD1-CE3 4.47Å; I12-W84 HydrophobicContact CG1-CE3 4.14Å; I12-W84 HydrophobicContact CG1-CZ3 3.86Å; E37-W84 HydrophobicContact CB-CZ2 4.25Å; E37-W84 HydrophobicContact CG-CH2 4.48Å; E37-W84 HydrophobicContact CG-CZ2 3.81Å; E37-W84 WeakPolarHBondContact O-CH2 3.14Å; E37-W84 WeakPolarHBondContact OE1-CZ2 3.26Å; E37-W84 PolarHBondContact OE1-NE1 2.97Å; R39-W84 HydrophobicContact CB-CH2 4.04Å; R39-W84 HydrophobicContact CB-CZ3 3.93Å; R39-W84 HydrophobicContact CG-CE3 4.4Å; R39-W84 HydrophobicContact CG-CH2 3.57Å; R39-W84 HydrophobicContact CG-CZ2 3.92Å; R39-W84 HydrophobicContact CG-CZ3 3.83Å; R39-W84 VanDerWaalsContact CZ-CE2 3.48Å; R39-W84 VanDerWaalsContact NE-CE2 3.32Å; E80-W84 WeakPolarHBondContact O-CB 3.5Å; E80-W84 PolarHBondContact O-N 3.14Å; L81-W84 PolarHBondContact O-N 3.26Å
85A94.9Very high96Very high0 Ų024 Ų240%013%0.127CC..  trans-79.6143.3-171.600000113.1I12 L81 W117 K128I12-A85 HydrophobicContact CB-CB 4.33Å; I12-A85 HydrophobicContact CD1-CB 3.88Å; I12-A85 HydrophobicContact CG1-CB 3.79Å; L81-A85 WeakPolarHBondContact O-CB 3.4Å; L81-A85 PolarHBondContact O-N 2.87Å; A85-W117 HydrophobicContact CB-CH2 3.57Å; A85-W117 HydrophobicContact CB-CZ3 3.98Å; A85-K128 VanDerWaalsContact O-CD 3.24Å; A85-K128 WeakPolarHBondContact O-CD 3.4Å; A85-K128 VanDerWaalsContact O-CE 3.29Å; A85-K128 WeakPolarHBondContact O-CE 3.33Å; A85-K128 PolarHBondContact O-NZ 3.31Å
86D92.4Very high96.4Very high14 Ų1425.1 Ų25.18%0.07513%0.129CC..SBendtrans-93.7-27.1171.1-53.9-44.4000111.6R8 N9 K10 K128 P129 L197R8-D86 HydrophobicContact CB-CB 4.08Å; R8-D86 HydrophobicContact CG-CB 4.19Å; N9-D86 PolarHBondContact N-OD2 2.77Å; N9-D86 VanDerWaalsContact N-OD2 3.12Å; K10-D86 WeakPolarHBondContact CB-OD2 3.13Å; K10-D86 PolarHBondContact N-OD2 2.82Å; K10-D86 PolarHBondContact O-N 3.12Å; D86-K128 WeakPolarHBondContact O-CB 3.16Å; D86-P129 WeakPolarHBondContact O-CD 3.45Å; D86-L197 HydrophobicContact CB-CD2 4.14Å; D86-L197 VanDerWaalsContact OD1-CD2 3.31Å; D86-L197 WeakPolarHBondContact OD1-CD2 3.15Å
87I94.4Very high96.6Very high0 Ų023 Ų230%012%0.116CC..EExtended strand (participates in β ladder)trans-137.4142.6-174.2-47.2-171.1000109.4R8 K10 L11 I12 F36 P129 Y131 L189 E192R8-I87 HydrophobicContact CB-CD1 4.46Å; K10-I87 PolarHBondContact O-N 3.44Å; K10-I87 VanDerWaalsContact O-N 3.14Å; L11-I87 HydrophobicContact CD1-CB 4.44Å; L11-I87 HydrophobicContact CD1-CG2 4.29Å; I12-I87 PolarHBondContact N-O 3.36Å; F36-I87 HydrophobicContact CE1-CD1 3.76Å; F36-I87 HydrophobicContact CZ-CD1 4.15Å; I87-P129 HydrophobicContact CB-CG 4.35Å; I87-P129 HydrophobicContact CD1-CG 4.32Å; I87-P129 HydrophobicContact CG1-CG 3.89Å; I87-P129 HydrophobicContact CG2-CG 4.15Å; I87-Y131 HydrophobicContact CG2-CD2 4.24Å; I87-L189 HydrophobicContact CG2-CD2 4.1Å; I87-E192 HydrophobicContact CD1-CB 3.42Å; I87-E192 VanDerWaalsContact CD1-CB 3.42Å; I87-E192 HydrophobicContact CD1-CG 4.03Å
88L97Very high96.7Very high0 Ų022.7 Ų22.70%012%0.115CC..EExtended strand (participates in β ladder)trans-112.4125.9167.6176.261.4000109.5I12 V90 V114 W117 P129 V130 Y131I12-L88 HydrophobicContact CB-CD1 4.06Å; I12-L88 HydrophobicContact CG2-CD1 3.65Å; L88-V90 HydrophobicContact CD1-CG2 4.22Å; L88-V90 HydrophobicContact CD2-CG2 4.39Å; L88-V90 HydrophobicContact CG-CG2 4.15Å; L88-V114 HydrophobicContact CD2-CG2 3.85Å; L88-W117 HydrophobicContact CB-CD2 4.08Å; L88-W117 HydrophobicContact CB-CE3 4.22Å; L88-W117 HydrophobicContact CB-CH2 3.65Å; L88-W117 HydrophobicContact CB-CZ2 3.48Å; L88-W117 VanDerWaalsContact CB-CZ2 3.48Å; L88-W117 HydrophobicContact CB-CZ3 4.02Å; L88-W117 HydrophobicContact CD2-CD2 4.1Å; L88-W117 HydrophobicContact CD2-CE3 4.18Å; L88-W117 HydrophobicContact CD2-CG 4.4Å; L88-P129 PolarHBondContact N-O 2.88Å; L88-P129 VanDerWaalsContact N-O 3.07Å; L88-V130 HydrophobicContact CB-CG1 4.35Å; L88-V130 HydrophobicContact CB-CG2 4.27Å; L88-V130 HydrophobicContact CD2-CG1 4.11Å; L88-V130 HydrophobicContact CD2-CG2 4.4Å; L88-V130 HydrophobicContact CG-CG1 4.23Å; L88-V130 CarbonylContact O-C 3.54Å; L88-V130 VanDerWaalsContact O-CA 3.31Å; L88-V130 WeakPolarHBondContact O-CA 3.48Å; L88-Y131 PolarHBondContact O-N 3.36Å
89L98.6Very high96.8Very high0 Ų022.5 Ų22.50%012%0.119CC..EExtended strand (participates in β ladder)trans-112.7129.5165.317163.5000108.3L11 I12 L13 G14 L27 L31 A91 Y131 I162 I185 L189L11-L89 HydrophobicContact CD1-CB 4.3Å; L11-L89 HydrophobicContact CD2-CB 4.45Å; I12-L89 PolarHBondContact O-N 2.85Å; L13-L89 CarbonylContact C-O 3.44Å; L13-L89 WeakPolarHBondContact CA-O 3.49Å; L13-L89 HydrophobicContact CD1-CB 4.29Å; L13-L89 HydrophobicContact CD1-CD2 3.69Å; L13-L89 HydrophobicContact CD1-CG 3.8Å; G14-L89 PolarHBondContact N-O 2.8Å; L27-L89 HydrophobicContact CD2-CD2 4.36Å; L31-L89 HydrophobicContact CD1-CD2 4.46Å; L89-A91 HydrophobicContact CD1-CB 3.95Å; L89-A91 HydrophobicContact CD2-CB 4.07Å; L89-A91 HydrophobicContact CG-CB 3.91Å; L89-Y131 CarbonylContact C-O 3.55Å; L89-Y131 VanDerWaalsContact CA-O 3.32Å; L89-Y131 WeakPolarHBondContact CA-O 3.38Å; L89-I162 HydrophobicContact CD1-CD1 4.2Å; L89-I185 HydrophobicContact CD1-CG2 4.17Å; L89-I185 HydrophobicContact CD2-CG2 3.61Å; L89-L189 HydrophobicContact CB-CD1 4.29Å; L89-L189 HydrophobicContact CD2-CD1 3.59Å; L89-L189 HydrophobicContact CG-CD1 4.35Å
90V98.8Very high97Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-110.6103.2167.6-170.30000109.8G14 T16 L88 L93 M101 L110 Y131 F132 A133G14-V90 CarbonylContact O-C 3.16Å; G14-V90 WeakPolarHBondContact O-CA 3.02Å; T16-V90 HydrophobicContact CG2-CG1 3.9Å; L88-V90 HydrophobicContact CD1-CG2 4.22Å; L88-V90 HydrophobicContact CD2-CG2 4.39Å; L88-V90 HydrophobicContact CG-CG2 4.15Å; V90-L93 HydrophobicContact CG1-CB 4.05Å; V90-L93 HydrophobicContact CG1-CD1 3.81Å; V90-L93 HydrophobicContact CG1-CG 4.48Å; V90-M101 HydrophobicContact CG2-CE 4.1Å; V90-L110 HydrophobicContact CG1-CD2 4.28Å; V90-Y131 PolarHBondContact N-O 3.1Å; V90-F132 HydrophobicContact CB-CB 4.31Å; V90-F132 CarbonylContact O-C 3.5Å; V90-F132 VanDerWaalsContact O-CA 3.27Å; V90-F132 WeakPolarHBondContact O-CA 3.44Å; V90-A133 PolarHBondContact O-N 3.29Å
91A98.7Very high97.1Very high0 Ų017.3 Ų17.30%09%0.092CC..EExtended strand (participates in β ladder)trans-149.1119.2-175.200000110.7L13 G14 I24 L27 L89 A133 M179 I185L13-A91 HydrophobicContact CD1-CB 4.16Å; G14-A91 PolarHBondContact O-N 3.38Å; I24-A91 WeakPolarHBondContact CD1-O 3.26Å; L27-A91 HydrophobicContact CD2-CB 4.16Å; L89-A91 HydrophobicContact CD1-CB 3.95Å; L89-A91 HydrophobicContact CD2-CB 4.07Å; L89-A91 HydrophobicContact CG-CB 3.91Å; A91-A133 HydrophobicContact CB-CB 3.81Å; A91-M179 HydrophobicContact CB-SD 4.19Å; A91-I185 HydrophobicContact CB-CD1 4.25Å
92P98.8Very high97.1Very high0 Ų018 Ų180%010%0.098CC..EExtended strand (participates in β ladder)cis-69.1150-8.928.9-34.8000112.5T16 A20 A21 A135 M179T16-P92 WeakPolarHBondContact CB-O 3.32Å; T16-P92 PolarHBondContact N-O 3.09Å; T16-P92 PolarHBondContact OG1-O 3.19Å; A20-P92 HydrophobicContact CB-CB 3.9Å; A20-P92 HydrophobicContact CB-CG 4.15Å; A21-P92 HydrophobicContact CB-CG 3.96Å; P92-A135 HydrophobicContact CB-CB 3.51Å; P92-M179 VanDerWaalsContact CA-SD 3.56Å; P92-M179 HydrophobicContact CB-SD 3.68Å; P92-M179 HydrophobicContact CG-SD 4.41Å
93L98.8Very high97.2Very high0 Ų022 Ų220%011%0.114CC..EExtended strand (participates in β ladder)trans-99.9111.2164.4178.762.1000110.3T16 V90 T97 M98 M101 F132 A133 P134 A135 L153T16-L93 HydrophobicContact CG2-CD1 4.36Å; T16-L93 WeakPolarHBondContact OG1-CA 3.48Å; V90-L93 HydrophobicContact CG1-CB 4.05Å; V90-L93 HydrophobicContact CG1-CD1 3.81Å; V90-L93 HydrophobicContact CG1-CG 4.48Å; L93-T97 HydrophobicContact CD1-CG2 3.91Å; L93-M98 HydrophobicContact CD1-CB 4.17Å; L93-M98 HydrophobicContact CD2-CB 3.86Å; L93-M98 HydrophobicContact CD2-CG 3.9Å; L93-M98 HydrophobicContact CD2-SD 4.26Å; L93-M98 HydrophobicContact CG-CB 3.91Å; L93-M98 HydrophobicContact CG-CG 4.46Å; L93-M101 HydrophobicContact CD1-CE 4.47Å; L93-M101 HydrophobicContact CD1-SD 3.59Å; L93-M101 VanDerWaalsContact CD1-SD 3.59Å; L93-F132 HydrophobicContact CD2-CB 3.88Å; L93-F132 HydrophobicContact CD2-CD2 3.67Å; L93-F132 HydrophobicContact CD2-CE2 4.5Å; L93-F132 HydrophobicContact CD2-CG 4.01Å; L93-A133 PolarHBondContact N-O 2.99Å; L93-P134 WeakPolarHBondContact O-CA 3.47Å; L93-A135 PolarHBondContact O-N 3.46Å; L93-L153 HydrophobicContact CD2-CD1 4.43Å
94S98.6Very high97.4Very high10 Ų1019 Ų197%0.0711%0.106CC..  trans-73.3153.5174.473.20000110.6T16 G17 N96 T97 M98T16-S94 WeakPolarHBondContact OG1-CB 3.46Å; T16-S94 PolarHBondContact OG1-N 3.39Å; G17-S94 VanDerWaalsContact O-CB 3.29Å; G17-S94 WeakPolarHBondContact O-CB 3.37Å; S94-N96 PolarHBondContact O-N 3.46Å; S94-T97 PolarHBondContact O-N 3.12Å; S94-T97 PolarHBondContact OG-N 3.16Å; S94-T97 PolarHBondContact OG-OG1 3Å; S94-M98 WeakPolarHBondContact O-CB 3.3Å; S94-M98 PolarHBondContact O-N 2.58Å
95A98.4Very high97.6Very high15 Ų1521.9 Ų21.912%0.12412%0.123CC..Hα-helixtrans-57.7-36.9176.300000112.8M98 A99 M136 M140A95-M98 PolarHBondContact O-N 2.85Å; A95-A99 WeakPolarHBondContact O-CB 3.2Å; A95-A99 PolarHBondContact O-N 2.72Å; A95-M136 HydrophobicContact CB-CE 4.01Å; A95-M136 HydrophobicContact CB-SD 3.88Å; A95-M140 HydrophobicContact CB-CE 3.48Å; A95-M140 VanDerWaalsContact CB-CE 3.48Å
96N98.7Very high97.7Very high88 Ų8824.1 Ų24.147%0.47114%0.142SC..Hα-helixtrans-63.8-49.9178.4179.556.5000111.8S94 M98 A99 K100S94-N96 PolarHBondContact O-N 3.46Å; N96-M98 VanDerWaalsContact C-N 3.32Å; N96-M98 PolarHBondContact O-N 3.02Å; N96-A99 PolarHBondContact O-N 3.06Å; N96-K100 WeakPolarHBondContact O-CG 3.34Å; N96-K100 PolarHBondContact O-N 2.98Å; N96-K100 VanDerWaalsContact O-N 3.08Å
97T98.8Very high98Very high4 Ų428.2 Ų28.23%0.02516%0.164CC..Hα-helixtrans-68.2-34.4177.5-56.60000111.4T16 L93 S94 A99 K100 M101 L110 T111T16-T97 HydrophobicContact CG2-CG2 3.64Å; L93-T97 HydrophobicContact CD1-CG2 3.91Å; S94-T97 PolarHBondContact O-N 3.12Å; S94-T97 PolarHBondContact OG-N 3.16Å; S94-T97 PolarHBondContact OG-OG1 3Å; T97-A99 PolarHBondContact O-N 3.48Å; T97-K100 WeakPolarHBondContact O-CB 3.46Å; T97-K100 PolarHBondContact O-N 3.3Å; T97-M101 HydrophobicContact CG2-CG 4.17Å; T97-M101 HydrophobicContact CG2-SD 3.74Å; T97-M101 WeakPolarHBondContact O-CB 3.23Å; T97-M101 VanDerWaalsContact O-CG 3.23Å; T97-M101 WeakPolarHBondContact O-CG 3.18Å; T97-M101 PolarHBondContact O-N 3.14Å; T97-L110 HydrophobicContact CG2-CD2 4.43Å; T97-T111 HydrophobicContact CG2-CG2 4.06Å
98M98.6Very high98.1Very high0 Ų029.5 Ų29.50%017%0.171CC..Hα-helixtrans-60.3-45174.6-172.4170.27200111.7L93 S94 A95 N96 K100 M101 A102 M136 T146 Q149 I150 L153L93-M98 HydrophobicContact CD1-CB 4.17Å; L93-M98 HydrophobicContact CD2-CB 3.86Å; L93-M98 HydrophobicContact CD2-CG 3.9Å; L93-M98 HydrophobicContact CD2-SD 4.26Å; L93-M98 HydrophobicContact CG-CB 3.91Å; L93-M98 HydrophobicContact CG-CG 4.46Å; S94-M98 WeakPolarHBondContact O-CB 3.3Å; S94-M98 PolarHBondContact O-N 2.58Å; A95-M98 PolarHBondContact O-N 2.85Å; N96-M98 VanDerWaalsContact C-N 3.32Å; N96-M98 PolarHBondContact O-N 3.02Å; M98-K100 PolarHBondContact O-N 2.93Å; M98-M101 PolarHBondContact O-N 3.29Å; M98-A102 VanDerWaalsContact O-CB 3.32Å; M98-A102 WeakPolarHBondContact O-CB 3.39Å; M98-A102 PolarHBondContact O-N 3.11Å; M98-M136 HydrophobicContact CE-CE 3.84Å; M98-M136 HydrophobicContact SD-CE 4.33Å; M98-T146 HydrophobicContact CE-CG2 3.66Å; M98-Q149 HydrophobicContact CE-CB 4.18Å; M98-Q149 VanDerWaalsContact CE-OE1 3.26Å; M98-Q149 HydrophobicContact CG-CB 4.11Å; M98-I150 HydrophobicContact CE-CG1 4.44Å; M98-I150 HydrophobicContact SD-CD1 4.38Å; M98-I150 HydrophobicContact SD-CG1 3.77Å; M98-L153 HydrophobicContact CG-CD1 4.14Å
99A98.6Very high98.2Very high27 Ų2729.7 Ų29.722%0.22317%0.172CC..Hα-helixtrans-58.6-48.9173.300000110.9A95 N96 T97 M101 A102 Y103A95-A99 WeakPolarHBondContact O-CB 3.2Å; A95-A99 PolarHBondContact O-N 2.72Å; N96-A99 PolarHBondContact O-N 3.06Å; T97-A99 PolarHBondContact O-N 3.48Å; A99-M101 VanDerWaalsContact C-N 3.33Å; A99-M101 PolarHBondContact O-N 3.33Å; A99-A102 PolarHBondContact O-N 3.17Å; A99-Y103 VanDerWaalsContact O-CD2 3.26Å; A99-Y103 WeakPolarHBondContact O-CD2 3.14Å; A99-Y103 PolarHBondContact O-N 3.5Å
100K98.6Very high98.2Very high33 Ų3329.7 Ų29.714%0.14317%0.172CC..Hα-helixtrans-56-46.8176.9-69.7178.3174.3-161.40112.3N96 T97 M98 Y103 G104 L105 D107 T111N96-K100 WeakPolarHBondContact O-CG 3.34Å; N96-K100 PolarHBondContact O-N 2.98Å; N96-K100 VanDerWaalsContact O-N 3.08Å; T97-K100 WeakPolarHBondContact O-CB 3.46Å; T97-K100 PolarHBondContact O-N 3.3Å; M98-K100 PolarHBondContact O-N 2.93Å; K100-Y103 PolarHBondContact O-N 3.31Å; K100-G104 PolarHBondContact O-N 3.31Å; K100-L105 HydrophobicContact CB-CB 3.97Å; K100-L105 HydrophobicContact CB-CD1 4.45Å; K100-L105 HydrophobicContact CG-CB 4.17Å; K100-L105 HydrophobicContact CG-CD1 3.97Å; K100-L105 PolarHBondContact O-N 3.25Å; K100-D107 WeakPolarHBondContact CE-OD2 3.41Å; K100-D107 IonicContact NZ-OD1 3.38Å; K100-D107 PolarHBondContact NZ-OD1 3.43Å; K100-D107 IonicContact NZ-OD2 2.68Å; K100-D107 PolarHBondContact NZ-OD2 3.1Å; K100-T111 HydrophobicContact CB-CG2 3.96Å; K100-T111 HydrophobicContact CD-CG2 4.07Å
101M97.5Very high98.2Very high12 Ų1229.7 Ų29.76%0.05917%0.172CC..Hα-helixtrans-63.9-47.3179.5-68.7169.256.500111.7V90 L93 T97 M98 A99 Y103 G104 V114 L153 W159V90-M101 HydrophobicContact CG2-CE 4.1Å; L93-M101 HydrophobicContact CD1-CE 4.47Å; L93-M101 HydrophobicContact CD1-SD 3.59Å; L93-M101 VanDerWaalsContact CD1-SD 3.59Å; T97-M101 HydrophobicContact CG2-CG 4.17Å; T97-M101 HydrophobicContact CG2-SD 3.74Å; T97-M101 WeakPolarHBondContact O-CB 3.23Å; T97-M101 VanDerWaalsContact O-CG 3.23Å; T97-M101 WeakPolarHBondContact O-CG 3.18Å; T97-M101 PolarHBondContact O-N 3.14Å; M98-M101 PolarHBondContact O-N 3.29Å; A99-M101 VanDerWaalsContact C-N 3.33Å; A99-M101 PolarHBondContact O-N 3.33Å; M101-Y103 VanDerWaalsContact C-N 3.27Å; M101-Y103 PolarHBondContact O-N 2.88Å; M101-G104 PolarHBondContact O-N 2.91Å; M101-V114 HydrophobicContact CB-CG1 4.43Å; M101-V114 HydrophobicContact CE-CG1 4.06Å; M101-V114 HydrophobicContact CE-CG2 4.14Å; M101-V114 HydrophobicContact CG-CB 4.5Å; M101-V114 HydrophobicContact CG-CG1 3.95Å; M101-V114 HydrophobicContact CG-CG2 4.43Å; M101-V114 HydrophobicContact SD-CG2 4.28Å; M101-L153 HydrophobicContact CB-CD2 4.27Å; M101-W159 HydrophobicContact CB-CZ3 4.49Å; M101-W159 HydrophobicContact CE-CE3 4.14Å; M101-W159 HydrophobicContact CE-CH2 4.14Å; M101-W159 HydrophobicContact CE-CZ3 3.36Å
102A97.4Very high98.1Very high16 Ų1631.2 Ų31.213%0.13218%0.181CC..Hα-helixtrans-65.5-28.8-17800000113.4M98 A99 Q149 R152 L153M98-A102 VanDerWaalsContact O-CB 3.32Å; M98-A102 WeakPolarHBondContact O-CB 3.39Å; M98-A102 PolarHBondContact O-N 3.11Å; A99-A102 PolarHBondContact O-N 3.17Å; A102-Q149 HydrophobicContact CB-CB 3.84Å; A102-Q149 HydrophobicContact CB-CG 3.89Å; A102-R152 HydrophobicContact CB-CB 4.34Å; A102-L153 HydrophobicContact CB-CD2 4.19Å; A102-L153 HydrophobicContact CB-CG 4.38Å
103Y97.2Very high98.1Very high113 Ų11331.2 Ų31.244%0.44318%0.181SC..Hα-helixtrans-103.13.1-179.9-70.9-80.8000114A99 K100 M101 E148 Q149A99-Y103 VanDerWaalsContact O-CD2 3.26Å; A99-Y103 WeakPolarHBondContact O-CD2 3.14Å; A99-Y103 PolarHBondContact O-N 3.5Å; K100-Y103 PolarHBondContact O-N 3.31Å; M101-Y103 VanDerWaalsContact C-N 3.27Å; M101-Y103 PolarHBondContact O-N 2.88Å; Y103-E148 PolarHBondContact OH-OE1 3.49Å; Y103-E148 VanDerWaalsContact OH-OE1 3.04Å; Y103-Q149 HydrophobicContact CE2-CG 3.97Å
104G96.1Very high98Very high31 Ų3131.6 Ų31.632%0.3218%0.184SC..THydrogen-bonded Turntrans75.625.3172.500000115.2K100 M101K100-G104 PolarHBondContact O-N 3.31Å; M101-G104 PolarHBondContact O-N 2.91Å
105L98.4Very high97.8Very high96 Ų9638.6 Ų38.650%0.50321%0.208SC..  trans-74144.2170.9-60.3179.3000110.4K100 T111K100-L105 HydrophobicContact CB-CB 3.97Å; K100-L105 HydrophobicContact CB-CD1 4.45Å; K100-L105 HydrophobicContact CG-CB 4.17Å; K100-L105 HydrophobicContact CG-CD1 3.97Å; K100-L105 PolarHBondContact O-N 3.25Å; L105-T111 WeakPolarHBondContact O-CB 3.42Å
106A97.7Very high97.7Very high48 Ų4839.1 Ų39.140%0.39721%0.213SC..  trans-14273.3-176.900000109.1T112 R115A106-T112 HydrophobicContact CB-CG2 4.49Å; A106-R115 HydrophobicContact CB-CB 4Å; A106-R115 HydrophobicContact CB-CG 4.27Å
107D97.5Very high97.4Very high100 Ų10035 Ų3554%0.53519%0.191SC..  trans-116.14.4-170.570.7-15.6000113.7K100 T111K100-D107 WeakPolarHBondContact CE-OD2 3.41Å; K100-D107 IonicContact NZ-OD1 3.38Å; K100-D107 PolarHBondContact NZ-OD1 3.43Å; K100-D107 IonicContact NZ-OD2 2.68Å; K100-D107 PolarHBondContact NZ-OD2 3.1Å; D107-T111 PolarHBondContact N-OG1 3.22Å; D107-T111 PolarHBondContact OD1-OG1 3.06Å
108N98.2Very high96.7Very high27 Ų2741.2 Ų41.214%0.14421%0.214CC..SBendtrans-151176.617375.60.6000110.7D62 L110 T111 T112D62-N108 WeakPolarHBondContact OD1-CB 3.39Å; N108-L110 PolarHBondContact O-N 3.34Å; N108-L110 PolarHBondContact OD1-N 3.11Å; N108-T111 PolarHBondContact N-OG1 2.89Å; N108-T111 VanDerWaalsContact N-OG1 3.12Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.41Å; N108-T111 WeakPolarHBondContact OD1-CB 3.44Å; N108-T111 WeakPolarHBondContact OD1-CG2 3.37Å; N108-T111 PolarHBondContact OD1-N 2.99Å; N108-T111 PolarHBondContact OD1-OG1 3.37Å; N108-T112 VanDerWaalsContact O-CB 3.27Å; N108-T112 WeakPolarHBondContact O-CB 3.41Å; N108-T112 PolarHBondContact O-N 2.88Å; N108-T112 PolarHBondContact O-OG1 2.9Å
109L98.3Very high95.3Very high3 Ų344.4 Ų44.42%0.01623%0.228CC..Hα-helixtrans-59-48.1-172.9174.558.4000111.2V41 K61 D62 E65 L77 H78 L81 T112 L113V41-L109 HydrophobicContact CG1-CB 4.3Å; V41-L109 HydrophobicContact CG1-CD2 3.84Å; V41-L109 HydrophobicContact CG1-CG 3.66Å; K61-L109 VanDerWaalsContact O-CD2 3.24Å; K61-L109 WeakPolarHBondContact O-CD2 3.49Å; D62-L109 WeakPolarHBondContact OD1-CB 3.24Å; D62-L109 PolarHBondContact OD1-N 3.47Å; E65-L109 HydrophobicContact CB-CD1 4.43Å; E65-L109 WeakPolarHBondContact OE2-CD1 3.43Å; L77-L109 HydrophobicContact CD2-CD1 4.16Å; L77-L109 HydrophobicContact CD2-CD2 3.99Å; L77-L109 HydrophobicContact CG-CD1 4.28Å; H78-L109 HydrophobicContact CB-CD1 3.97Å; L81-L109 HydrophobicContact CD1-CD1 4.19Å; L81-L109 HydrophobicContact CD1-CD2 4.37Å; L109-T112 PolarHBondContact O-N 3.24Å; L109-L113 VanDerWaalsContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CB 3.34Å; L109-L113 PolarHBondContact O-N 2.66Å
110L98.7Very high93.5Very high0 Ų048.1 Ų48.10%025%0.249CC..Hα-helixtrans-63.7-48.1-178.4-178.357.7000112.5T16 V41 T43 V90 T97 N108 T112 L113 V114T16-L110 HydrophobicContact CG2-CD2 3.54Å; V41-L110 HydrophobicContact CB-CD1 4.26Å; V41-L110 HydrophobicContact CG1-CB 3.86Å; V41-L110 HydrophobicContact CG1-CD1 4.1Å; T43-L110 HydrophobicContact CG2-CB 4.15Å; T43-L110 HydrophobicContact CG2-CD2 3.92Å; V90-L110 HydrophobicContact CG1-CD2 4.28Å; T97-L110 HydrophobicContact CG2-CD2 4.43Å; N108-L110 PolarHBondContact O-N 3.34Å; N108-L110 PolarHBondContact OD1-N 3.11Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.21Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 3.45Å; L110-V114 HydrophobicContact CD1-CG2 4.27Å; L110-V114 HydrophobicContact CG-CG2 4.49Å; L110-V114 WeakPolarHBondContact O-CB 3.35Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.17Å
111T98.5Very high91.5Very high1 Ų149.3 Ų49.31%0.00626%0.262CS..Hα-helixtrans-69.5-32.8-177.754.60000112T97 K100 L105 D107 N108 V114 R115T97-T111 HydrophobicContact CG2-CG2 4.06Å; K100-T111 HydrophobicContact CB-CG2 3.96Å; K100-T111 HydrophobicContact CD-CG2 4.07Å; L105-T111 WeakPolarHBondContact O-CB 3.42Å; D107-T111 PolarHBondContact N-OG1 3.22Å; D107-T111 PolarHBondContact OD1-OG1 3.06Å; N108-T111 PolarHBondContact N-OG1 2.89Å; N108-T111 VanDerWaalsContact N-OG1 3.12Å; N108-T111 PolarHBondContact O-N 3.46Å; N108-T111 PolarHBondContact O-OG1 3.41Å; N108-T111 WeakPolarHBondContact OD1-CB 3.44Å; N108-T111 WeakPolarHBondContact OD1-CG2 3.37Å; N108-T111 PolarHBondContact OD1-N 2.99Å; N108-T111 PolarHBondContact OD1-OG1 3.37Å; T111-V114 PolarHBondContact O-N 3.12Å; T111-R115 WeakPolarHBondContact O-CB 3.15Å; T111-R115 PolarHBondContact O-N 2.87Å
112T97.6Very high89.6Confident32 Ų3258 Ų5820%0.19630%0.302CS..Hα-helixtrans-68.2-44.4173.6-50.70000111.6H78 A106 N108 L109 L110 V114 R115 A116H78-T112 HydrophobicContact CB-CG2 4.33Å; A106-T112 HydrophobicContact CB-CG2 4.49Å; N108-T112 VanDerWaalsContact O-CB 3.27Å; N108-T112 WeakPolarHBondContact O-CB 3.41Å; N108-T112 PolarHBondContact O-N 2.88Å; N108-T112 PolarHBondContact O-OG1 2.9Å; L109-T112 PolarHBondContact O-N 3.24Å; L110-T112 VanDerWaalsContact C-N 3.32Å; L110-T112 PolarHBondContact O-N 3.21Å; T112-V114 PolarHBondContact O-N 3.44Å; T112-R115 PolarHBondContact O-N 2.88Å; T112-A116 PolarHBondContact O-N 2.9Å
113L97.4Very high87.4Confident0 Ų064.9 Ų64.90%033%0.332CS..Hα-helixtrans-55.5-49.8171.1167.361.4000111.5I12 V41 H78 L81 R82 L109 L110 R115 A116 W117I12-L113 HydrophobicContact CD1-CD1 4.49Å; I12-L113 HydrophobicContact CD1-CD2 3.77Å; I12-L113 HydrophobicContact CG2-CD2 3.89Å; V41-L113 HydrophobicContact CG2-CD2 3.93Å; H78-L113 HydrophobicContact CB-CB 4.19Å; H78-L113 WeakPolarHBondContact O-CD1 3.36Å; L81-L113 HydrophobicContact CB-CD1 4.23Å; R82-L113 HydrophobicContact CB-CD1 3.54Å; R82-L113 HydrophobicContact CG-CD1 4.32Å; L109-L113 VanDerWaalsContact O-CB 3.28Å; L109-L113 WeakPolarHBondContact O-CB 3.34Å; L109-L113 PolarHBondContact O-N 2.66Å; L110-L113 WeakPolarHBondContact O-CB 3.35Å; L110-L113 PolarHBondContact O-N 3.45Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.2Å; L113-A116 CarbonylContact O-C 3.59Å; L113-A116 PolarHBondContact O-N 3.22Å; L113-W117 HydrophobicContact CD1-CE3 3.99Å; L113-W117 HydrophobicContact CD1-CZ3 4.14Å; L113-W117 PolarHBondContact O-N 3.44Å; L113-W117 VanDerWaalsContact O-N 3.11Å
114V96.8Very high84.9Confident8 Ų866 Ų665%0.04835%0.346CS..Hα-helixtrans-58.8-44.6178169.50000111L88 M101 L110 T111 T112 A116 W117 W159L88-V114 HydrophobicContact CD2-CG2 3.85Å; M101-V114 HydrophobicContact CB-CG1 4.43Å; M101-V114 HydrophobicContact CE-CG1 4.06Å; M101-V114 HydrophobicContact CE-CG2 4.14Å; M101-V114 HydrophobicContact CG-CB 4.5Å; M101-V114 HydrophobicContact CG-CG1 3.95Å; M101-V114 HydrophobicContact CG-CG2 4.43Å; M101-V114 HydrophobicContact SD-CG2 4.28Å; L110-V114 HydrophobicContact CD1-CG2 4.27Å; L110-V114 HydrophobicContact CG-CG2 4.49Å; L110-V114 WeakPolarHBondContact O-CB 3.35Å; L110-V114 WeakPolarHBondContact O-CG2 3.25Å; L110-V114 PolarHBondContact O-N 3.17Å; T111-V114 PolarHBondContact O-N 3.12Å; T112-V114 PolarHBondContact O-N 3.44Å; V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 PolarHBondContact O-N 3.06Å; V114-W117 WeakPolarHBondContact O-CB 3.38Å; V114-W117 PolarHBondContact O-N 3.38Å; V114-W117 VanDerWaalsContact O-N 3.1Å; V114-W159 HydrophobicContact CG1-CH2 3.32Å; V114-W159 HydrophobicContact CG1-CZ2 4.15Å; V114-W159 HydrophobicContact CG1-CZ3 4.07Å
115R95.6Very high82.9Confident156 Ų15669.1 Ų69.159%0.58935%0.354SS*.Hα-helixtrans-62.6-35-179.8-171.667.4-175.4106-3.2112.2A106 T111 T112 L113 W117A106-R115 HydrophobicContact CB-CB 4Å; A106-R115 HydrophobicContact CB-CG 4.27Å; T111-R115 WeakPolarHBondContact O-CB 3.15Å; T111-R115 PolarHBondContact O-N 2.87Å; T112-R115 PolarHBondContact O-N 2.88Å; L113-R115 VanDerWaalsContact C-N 3.32Å; L113-R115 PolarHBondContact O-N 3.2Å; R115-W117 VanDerWaalsContact C-N 3.33Å
116A94.5Very high80.9Confident26 Ų2669 Ų6922%0.21536%0.357CS..THydrogen-bonded Turntrans-83.7-2.3177.400000114.3I79 R82 T112 L113 V114 W118I79-A116 HydrophobicContact CD1-CB 3.89Å; R82-A116 PolarHBondContact NE-O 2.84Å; T112-A116 PolarHBondContact O-N 2.9Å; L113-A116 CarbonylContact O-C 3.59Å; L113-A116 PolarHBondContact O-N 3.22Å; V114-A116 VanDerWaalsContact C-N 3.26Å; V114-A116 PolarHBondContact O-N 3.06Å; A116-W118 VanDerWaalsContact C-N 3.31Å; A116-W118 PolarHBondContact O-N 2.95Å
117W93.1Very high79.7Confident2 Ų268.3 Ų68.31%0.00835%0.347CS..  trans-68.1-30.7-175-162.9-98.4000113.3R82 A85 L88 L113 V114 R115 K128 V130R82-W117 HydrophobicContact CB-CE3 4.45Å; R82-W117 HydrophobicContact CG-CE3 3.98Å; R82-W117 HydrophobicContact CG-CZ3 4.43Å; A85-W117 HydrophobicContact CB-CH2 3.57Å; A85-W117 HydrophobicContact CB-CZ3 3.98Å; L88-W117 HydrophobicContact CB-CD2 4.08Å; L88-W117 HydrophobicContact CB-CE3 4.22Å; L88-W117 HydrophobicContact CB-CH2 3.65Å; L88-W117 HydrophobicContact CB-CZ2 3.48Å; L88-W117 VanDerWaalsContact CB-CZ2 3.48Å; L88-W117 HydrophobicContact CB-CZ3 4.02Å; L88-W117 HydrophobicContact CD2-CD2 4.1Å; L88-W117 HydrophobicContact CD2-CE3 4.18Å; L88-W117 HydrophobicContact CD2-CG 4.4Å; L113-W117 HydrophobicContact CD1-CE3 3.99Å; L113-W117 HydrophobicContact CD1-CZ3 4.14Å; L113-W117 PolarHBondContact O-N 3.44Å; L113-W117 VanDerWaalsContact O-N 3.11Å; V114-W117 WeakPolarHBondContact O-CB 3.38Å; V114-W117 PolarHBondContact O-N 3.38Å; V114-W117 VanDerWaalsContact O-N 3.1Å; R115-W117 VanDerWaalsContact C-N 3.33Å; W117-K128 HydrophobicContact CH2-CD 4.37Å; W117-K128 HydrophobicContact CZ2-CB 3.53Å; W117-K128 HydrophobicContact CZ2-CD 4.02Å; W117-K128 HydrophobicContact CZ2-CG 4.43Å; W117-K128 PolarHBondContact NE1-O 2.99Å; W117-V130 HydrophobicContact CG-CG2 4.13Å
118W83.4Confident79.2Confident134 Ų13465.2 Ų65.251%0.50833%0.328SS..  trans-69.6143.5-178.5-174.687.8000112.7R82 A116 P120R82-W118 PolarHBondContact NH2-O 2.92Å; A116-W118 VanDerWaalsContact C-N 3.31Å; A116-W118 PolarHBondContact O-N 2.95Å; W118-P120 HydrophobicContact CE3-CG 4.43Å; W118-P120 HydrophobicContact CH2-CB 3.53Å; W118-P120 HydrophobicContact CH2-CG 4.09Å; W118-P120 HydrophobicContact CZ2-CB 4.41Å; W118-P120 HydrophobicContact CZ3-CB 3.66Å; W118-P120 HydrophobicContact CZ3-CG 3.66Å
119F69.7Low78.9Confident68 Ų6864.7 Ų64.730%0.29833%0.327SS..  trans-119133.8168.1-72.5-100000111S121 N127 K128F119-S121 PolarHBondContact O-N 2.73Å; F119-N127 PolarHBondContact N-OD1 2.86Å; F119-K128 HydrophobicContact CE2-CD 4.22Å; F119-K128 HydrophobicContact CE2-CG 4.42Å
120P60.2Low78.8Confident104 Ų10464.7 Ų64.768%0.67533%0.327SS*.  trans-72.2115.5155.623.8-18.5000108W118W118-P120 HydrophobicContact CE3-CG 4.43Å; W118-P120 HydrophobicContact CH2-CB 3.53Å; W118-P120 HydrophobicContact CH2-CG 4.09Å; W118-P120 HydrophobicContact CZ2-CB 4.41Å; W118-P120 HydrophobicContact CZ3-CB 3.66Å; W118-P120 HydrophobicContact CZ3-CG 3.66Å
121S57.4Low78.7Confident59 Ų5964.9 Ų64.941%0.41333%0.327SS..  trans-114.9130.5168.9156.40000107.8F119 Q123 N124F119-S121 PolarHBondContact O-N 2.73Å; S121-Q123 PolarHBondContact O-N 2.93Å; S121-Q123 PolarHBondContact OG-N 3.48Å; S121-N124 VanDerWaalsContact CB-O 3.26Å; S121-N124 WeakPolarHBondContact CB-O 3.26Å; S121-N124 PolarHBondContact OG-O 3.42Å
122E57.4Low78.7Confident193 Ų19364.8 Ų64.890%0.90233%0.327SS*.THydrogen-bonded Turntrans-62.6-17.6178.6-71-175.7166.700113.1
123Q51.3Low78.8Confident161 Ų16163.3 Ų63.375%0.75232%0.318SS*.THydrogen-bonded Turntrans-130.237.9-164.4-67.21698.300113.7S121S121-Q123 PolarHBondContact O-N 2.93Å; S121-Q123 PolarHBondContact OG-N 3.48Å
124N44.9Very low78.8Confident137 Ų13763.3 Ų63.373%0.73332%0.318SS*.SBendtrans91.1140-172.1-67.8-51.1000114.4S121 V126S121-N124 VanDerWaalsContact CB-O 3.26Å; S121-N124 WeakPolarHBondContact CB-O 3.26Å; S121-N124 PolarHBondContact OG-O 3.42Å; N124-V126 VanDerWaalsContact C-N 3.29Å; N124-V126 PolarHBondContact O-N 3.36Å
125I53.6Low78.8Confident96 Ų9663 Ų6349%0.49232%0.316SS..  trans-60.582.3179.5-57.3160.1000108.8N127I125-N127 HydrophobicContact CG2-CB 3.67Å; I125-N127 WeakPolarHBondContact CG2-ND2 3.39Å; I125-N127 PolarHBondContact O-N 2.9Å
126V56.2Low78.9Confident95 Ų9556.3 Ų56.358%0.57629%0.292SS*.  trans-79.366.3159.8-168.90000106.5N124 K128N124-V126 VanDerWaalsContact C-N 3.29Å; N124-V126 PolarHBondContact O-N 3.36Å; V126-K128 PolarHBondContact O-N 2.89Å
127N73Confident78.9Confident32 Ų3257.4 Ų57.417%0.17129%0.294CS..PPolyproline II helixtrans-70.1130.2170.1-86.9-16.4000107.6F119 I125F119-N127 PolarHBondContact N-OD1 2.86Å; I125-N127 HydrophobicContact CG2-CB 3.67Å; I125-N127 WeakPolarHBondContact CG2-ND2 3.39Å; I125-N127 PolarHBondContact O-N 2.9Å
128K88.4Confident78.9Confident36 Ų3657.9 Ų57.916%0.15730%0.297CS..PPolyproline II helixtrans-50.1127.8166.2-69179.6177.5-167.60108.2R82 N83 A85 D86 W117 F119 V126 V130R82-K128 PolarHBondContact O-NZ 2.85Å; N83-K128 PolarHBondContact O-NZ 3.1Å; A85-K128 VanDerWaalsContact O-CD 3.24Å; A85-K128 WeakPolarHBondContact O-CD 3.4Å; A85-K128 VanDerWaalsContact O-CE 3.29Å; A85-K128 WeakPolarHBondContact O-CE 3.33Å; A85-K128 PolarHBondContact O-NZ 3.31Å; D86-K128 WeakPolarHBondContact O-CB 3.16Å; W117-K128 HydrophobicContact CH2-CD 4.37Å; W117-K128 HydrophobicContact CZ2-CB 3.53Å; W117-K128 HydrophobicContact CZ2-CD 4.02Å; W117-K128 HydrophobicContact CZ2-CG 4.43Å; W117-K128 PolarHBondContact NE1-O 2.99Å; F119-K128 HydrophobicContact CE2-CD 4.22Å; F119-K128 HydrophobicContact CE2-CG 4.42Å; V126-K128 PolarHBondContact O-N 2.89Å; K128-V130 PolarHBondContact O-N 3.35Å
129P91.3Very high79.5Confident16 Ų1657 Ų5710%0.10430%0.302CS..PPolyproline II helixtrans-59.7140.2-173.323.2-34.5000111.2D86 I87 L88 Y131D86-P129 WeakPolarHBondContact O-CD 3.45Å; I87-P129 HydrophobicContact CB-CG 4.35Å; I87-P129 HydrophobicContact CD1-CG 4.32Å; I87-P129 HydrophobicContact CG1-CG 3.89Å; I87-P129 HydrophobicContact CG2-CG 4.15Å; L88-P129 PolarHBondContact N-O 2.88Å; L88-P129 VanDerWaalsContact N-O 3.07Å; P129-Y131 HydrophobicContact CB-CE2 4.09Å
130V95.2Very high80.7Confident3 Ų358 Ų582%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-119.2127.9173.6-175.70000108.6L88 W117 K128 W159 K160L88-V130 HydrophobicContact CB-CG1 4.35Å; L88-V130 HydrophobicContact CB-CG2 4.27Å; L88-V130 HydrophobicContact CD2-CG1 4.11Å; L88-V130 HydrophobicContact CD2-CG2 4.4Å; L88-V130 HydrophobicContact CG-CG1 4.23Å; L88-V130 CarbonylContact O-C 3.54Å; L88-V130 VanDerWaalsContact O-CA 3.31Å; L88-V130 WeakPolarHBondContact O-CA 3.48Å; W117-V130 HydrophobicContact CG-CG2 4.13Å; K128-V130 PolarHBondContact O-N 3.35Å; V130-W159 HydrophobicContact CB-CB 4.14Å; V130-W159 HydrophobicContact CB-CD2 3.7Å; V130-W159 HydrophobicContact CB-CE3 4.4Å; V130-W159 HydrophobicContact CB-CG 3.56Å; V130-W159 HydrophobicContact CG1-CB 4.38Å; V130-W159 HydrophobicContact CG1-CD2 3.56Å; V130-W159 HydrophobicContact CG1-CE3 3.74Å; V130-W159 HydrophobicContact CG1-CG 3.87Å; V130-W159 HydrophobicContact CG1-CZ2 4.5Å; V130-W159 HydrophobicContact CG1-CZ3 4.35Å; V130-W159 HydrophobicContact CG2-CD2 4.11Å; V130-W159 HydrophobicContact CG2-CG 4.2Å; V130-W159 HydrophobicContact CG2-CZ2 4.29Å; V130-K160 PolarHBondContact O-N 2.91Å
131Y97.4Very high82.4Confident3 Ų355.5 Ų55.51%0.01229%0.286CS..EExtended strand (participates in β ladder)trans-114.7148170.8-71-103.4000109.3I87 L88 L89 V90 P129 K160 I162 H188 L189 E192I87-Y131 HydrophobicContact CG2-CD2 4.24Å; L88-Y131 PolarHBondContact O-N 3.36Å; L89-Y131 CarbonylContact C-O 3.55Å; L89-Y131 VanDerWaalsContact CA-O 3.32Å; L89-Y131 WeakPolarHBondContact CA-O 3.38Å; V90-Y131 PolarHBondContact N-O 3.1Å; P129-Y131 HydrophobicContact CB-CE2 4.09Å; Y131-K160 CarbonylContact C-O 3.6Å; Y131-K160 VanDerWaalsContact CA-O 3.29Å; Y131-K160 WeakPolarHBondContact CA-O 3.26Å; Y131-K160 HydrophobicContact CD1-CB 3.65Å; Y131-K160 HydrophobicContact CD1-CD 4.06Å; Y131-K160 HydrophobicContact CD2-CD 4.47Å; Y131-K160 HydrophobicContact CE1-CB 3.83Å; Y131-K160 HydrophobicContact CE1-CD 3.39Å; Y131-K160 HydrophobicContact CE1-CG 4.27Å; Y131-K160 HydrophobicContact CE2-CD 3.85Å; Y131-K160 HydrophobicContact CG-CB 4.15Å; Y131-K160 WeakPolarHBondContact OH-CD 3.15Å; Y131-K160 PolarHBondContact OH-NZ 2.83Å; Y131-I162 HydrophobicContact CD1-CD1 4.03Å; Y131-I162 HydrophobicContact CD1-CG1 4.16Å; Y131-H188 HydrophobicContact CD1-CB 4.31Å; Y131-H188 HydrophobicContact CE1-CB 4Å; Y131-H188 PolarHBondContact OH-O 3.04Å; Y131-L189 HydrophobicContact CD1-CD2 4.28Å; Y131-L189 HydrophobicContact CD2-CD2 3.5Å; Y131-L189 HydrophobicContact CE1-CD2 4.47Å; Y131-L189 HydrophobicContact CE2-CD2 3.77Å; Y131-L189 HydrophobicContact CG-CD2 3.77Å; Y131-E192 HydrophobicContact CE2-CG 3.8Å; Y131-E192 VanDerWaalsContact OH-CG 3.3Å; Y131-E192 WeakPolarHBondContact OH-CG 3.37Å; Y131-E192 PolarHBondContact OH-OE1 3.15Å
132F98.6Very high84.2Confident0 Ų059.2 Ų59.20%030%0.296CS..EExtended strand (participates in β ladder)trans-143.7142.1171.962-86.7000111.3V90 L93 P134 L153 V154 W159 K160 C161 I162V90-F132 HydrophobicContact CB-CB 4.31Å; V90-F132 CarbonylContact O-C 3.5Å; V90-F132 VanDerWaalsContact O-CA 3.27Å; V90-F132 WeakPolarHBondContact O-CA 3.44Å; L93-F132 HydrophobicContact CD2-CB 3.88Å; L93-F132 HydrophobicContact CD2-CD2 3.67Å; L93-F132 HydrophobicContact CD2-CE2 4.5Å; L93-F132 HydrophobicContact CD2-CG 4.01Å; F132-P134 HydrophobicContact CD2-CG 3.82Å; F132-P134 HydrophobicContact CE2-CG 3.96Å; F132-L153 HydrophobicContact CE1-CB 4Å; F132-L153 HydrophobicContact CE1-CD1 4.34Å; F132-L153 HydrophobicContact CE2-CD1 4.41Å; F132-L153 HydrophobicContact CZ-CB 4.05Å; F132-L153 HydrophobicContact CZ-CD1 4.22Å; F132-V154 HydrophobicContact CE1-CG2 4.35Å; F132-V154 HydrophobicContact CZ-CG2 3.97Å; F132-W159 HydrophobicContact CD1-CB 4.1Å; F132-W159 HydrophobicContact CD1-CE3 4.45Å; F132-W159 HydrophobicContact CE1-CB 3.84Å; F132-K160 PolarHBondContact N-O 2.87Å; F132-C161 HydrophobicContact CD2-CB 4.47Å; F132-C161 HydrophobicContact CE1-CB 4.12Å; F132-C161 HydrophobicContact CE2-CB 3.67Å; F132-C161 WeakPolarHBondContact CE2-SG 3.34Å; F132-C161 HydrophobicContact CZ-CB 3.47Å; F132-C161 VanDerWaalsContact CZ-CB 3.47Å; F132-I162 PolarHBondContact O-N 3.29Å
133A98.6Very high86.1Confident0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-118.695.8178.200000109.3V90 A91 L93 I162 M179 I185V90-A133 PolarHBondContact O-N 3.29Å; A91-A133 HydrophobicContact CB-CB 3.81Å; L93-A133 PolarHBondContact N-O 2.99Å; A133-I162 HydrophobicContact CB-CB 4.24Å; A133-M179 HydrophobicContact CB-CG 3.93Å; A133-M179 HydrophobicContact CB-SD 4.44Å; A133-I185 HydrophobicContact CB-CD1 3.93Å; A133-I185 HydrophobicContact CB-CG1 4.25Å
134P98.5Very high88.3Confident0 Ų050.8 Ų50.80%027%0.265CS..EExtended strand (participates in β ladder)trans-59.1143.1178.8-22.333.9000112.2L93 F132 M136 W141 I162L93-P134 WeakPolarHBondContact O-CA 3.47Å; F132-P134 HydrophobicContact CD2-CG 3.82Å; F132-P134 HydrophobicContact CE2-CG 3.96Å; P134-M136 HydrophobicContact CB-CE 3.99Å; P134-W141 HydrophobicContact CB-CE3 4.38Å; P134-W141 HydrophobicContact CB-CZ3 3.66Å; P134-W141 HydrophobicContact CG-CH2 4.45Å; P134-W141 HydrophobicContact CG-CZ3 3.97Å; P134-I162 WeakPolarHBondContact CD-O 3.47Å
135A97.6Very high90.8Very high3 Ų349.7 Ų49.73%0.02525%0.254CS..  trans-147.8105.4176.900000111.1S18 A20 P92 L93 G177 M179S18-A135 WeakPolarHBondContact CB-O 3.46Å; S18-A135 WeakPolarHBondContact OG-CB 3.42Å; S18-A135 PolarHBondContact OG-O 3.04Å; A20-A135 HydrophobicContact CB-CB 3.79Å; P92-A135 HydrophobicContact CB-CB 3.51Å; L93-A135 PolarHBondContact O-N 3.46Å; A135-G177 CarbonylContact C-O 3.55Å; A135-G177 WeakPolarHBondContact CA-O 3.24Å; A135-M179 HydrophobicContact CB-CB 3.67Å; A135-M179 HydrophobicContact CB-CG 4.21Å
136M96.3Very high93Very high15 Ų1545.4 Ų45.47%0.07423%0.233CC..  trans-154.8167.8-175.764.3-166.176.100111.8A95 M98 P134 M140 W141 T146 G177A95-M136 HydrophobicContact CB-CE 4.01Å; A95-M136 HydrophobicContact CB-SD 3.88Å; M98-M136 HydrophobicContact CE-CE 3.84Å; M98-M136 HydrophobicContact SD-CE 4.33Å; P134-M136 HydrophobicContact CB-CE 3.99Å; M136-M140 HydrophobicContact CB-CB 3.97Å; M136-M140 HydrophobicContact CB-SD 4.17Å; M136-M140 HydrophobicContact CG-CB 3.89Å; M136-M140 HydrophobicContact SD-CB 3.91Å; M136-W141 HydrophobicContact CE-CE3 4.32Å; M136-W141 HydrophobicContact CG-CB 4.1Å; M136-W141 HydrophobicContact CG-CE3 4.41Å; M136-W141 HydrophobicContact SD-CB 4.47Å; M136-W141 HydrophobicContact SD-CE3 4.19Å; M136-T146 HydrophobicContact CE-CG2 4.45Å; M136-T146 HydrophobicContact SD-CG2 4.01Å; M136-G177 PolarHBondContact N-O 2.78Å; M136-G177 CarbonylContact O-C 3.55Å; M136-G177 VanDerWaalsContact O-CA 3.26Å; M136-G177 WeakPolarHBondContact O-CA 3.42Å
137N95.2Very high94.8Very high48 Ų4846.5 Ų46.526%0.25723%0.231SC..  trans-62.1151.5174.3173-86.9000111.6L139 M140 W141 C171N137-L139 VanDerWaalsContact C-N 3.27Å; N137-L139 PolarHBondContact O-N 3.35Å; N137-L139 VanDerWaalsContact OD1-CB 3.3Å; N137-L139 WeakPolarHBondContact OD1-CB 3.27Å; N137-L139 PolarHBondContact OD1-N 3.38Å; N137-M140 HydrophobicContact CB-CG 4.22Å; N137-M140 HydrophobicContact CB-SD 4.21Å; N137-M140 WeakPolarHBondContact O-CA 3.39Å; N137-M140 WeakPolarHBondContact O-CB 3.34Å; N137-M140 PolarHBondContact O-N 2.88Å; N137-W141 PolarHBondContact O-N 3.49Å; N137-C171 PolarHBondContact ND2-SG 3.08Å; N137-C171 VanDerWaalsContact ND2-SG 3.4Å
138T93.3Very high96Very high13 Ų1347.7 Ų47.78%0.0824%0.235CC..Hα-helixtrans-51.9-41.6179.4-49.80000113.7M140 W141 Q142 L169 G175 I176T138-M140 VanDerWaalsContact C-N 3.3Å; T138-M140 PolarHBondContact O-N 3.21Å; T138-W141 WeakPolarHBondContact O-CB 3.47Å; T138-W141 PolarHBondContact O-N 2.87Å; T138-Q142 HydrophobicContact CG2-CG 4.34Å; T138-Q142 WeakPolarHBondContact O-CB 3.32Å; T138-Q142 WeakPolarHBondContact O-CG 3.48Å; T138-Q142 PolarHBondContact O-N 3.48Å; T138-L169 WeakPolarHBondContact OG1-CD1 3.42Å; T138-G175 WeakPolarHBondContact OG1-CA 3.47Å; T138-I176 VanDerWaalsContact CA-O 3.25Å; T138-I176 WeakPolarHBondContact CA-O 3.34Å; T138-I176 PolarHBondContact OG1-O 3.3Å
139L94.7Very high96.5Very high114 Ų11446.7 Ų46.760%0.59723%0.232SC*.Hα-helixtrans-66.8-34.7178.8-59.2177.3000111.7N137 H143N137-L139 VanDerWaalsContact C-N 3.27Å; N137-L139 PolarHBondContact O-N 3.35Å; N137-L139 VanDerWaalsContact OD1-CB 3.3Å; N137-L139 WeakPolarHBondContact OD1-CB 3.27Å; N137-L139 PolarHBondContact OD1-N 3.38Å; L139-H143 PolarHBondContact O-N 3.48Å
140M96.4Very high96.7Very high90 Ų9047 Ų4744%0.44323%0.232SC..Hα-helixtrans-70.3-39.5173.5-58.5176.677.200110.8A95 M136 N137 T138 H143 T146A95-M140 HydrophobicContact CB-CE 3.48Å; A95-M140 VanDerWaalsContact CB-CE 3.48Å; M136-M140 HydrophobicContact CB-CB 3.97Å; M136-M140 HydrophobicContact CB-SD 4.17Å; M136-M140 HydrophobicContact CG-CB 3.89Å; M136-M140 HydrophobicContact SD-CB 3.91Å; N137-M140 HydrophobicContact CB-CG 4.22Å; N137-M140 HydrophobicContact CB-SD 4.21Å; N137-M140 WeakPolarHBondContact O-CA 3.39Å; N137-M140 WeakPolarHBondContact O-CB 3.34Å; N137-M140 PolarHBondContact O-N 2.88Å; T138-M140 VanDerWaalsContact C-N 3.3Å; T138-M140 PolarHBondContact O-N 3.21Å; M140-H143 WeakPolarHBondContact O-CB 3.28Å; M140-H143 PolarHBondContact O-N 3.28Å; M140-T146 WeakPolarHBondContact O-CB 3.41Å; M140-T146 PolarHBondContact O-OG1 2.93Å
141W96Very high96.8Very high51 Ų5150.8 Ų50.819%0.19325%0.249CC..Hα-helixtrans-63.9-42.7176.8-178.9-103.6000112.3P134 M136 N137 T138 H143 T146 I150 P164 I176P134-W141 HydrophobicContact CB-CE3 4.38Å; P134-W141 HydrophobicContact CB-CZ3 3.66Å; P134-W141 HydrophobicContact CG-CH2 4.45Å; P134-W141 HydrophobicContact CG-CZ3 3.97Å; M136-W141 HydrophobicContact CE-CE3 4.32Å; M136-W141 HydrophobicContact CG-CB 4.1Å; M136-W141 HydrophobicContact CG-CE3 4.41Å; M136-W141 HydrophobicContact SD-CB 4.47Å; M136-W141 HydrophobicContact SD-CE3 4.19Å; N137-W141 PolarHBondContact O-N 3.49Å; T138-W141 WeakPolarHBondContact O-CB 3.47Å; T138-W141 PolarHBondContact O-N 2.87Å; W141-H143 PolarHBondContact O-N 2.94Å; W141-T146 HydrophobicContact CD2-CG2 4.34Å; W141-T146 HydrophobicContact CE3-CG2 3.76Å; W141-T146 HydrophobicContact CZ3-CG2 4.1Å; W141-T146 WeakPolarHBondContact O-CG2 3.08Å; W141-I150 HydrophobicContact CE3-CD1 4.44Å; W141-I150 HydrophobicContact CH2-CD1 3.42Å; W141-I150 VanDerWaalsContact CH2-CD1 3.42Å; W141-I150 HydrophobicContact CZ2-CD1 4.37Å; W141-I150 HydrophobicContact CZ3-CD1 3.46Å; W141-I150 VanDerWaalsContact CZ3-CD1 3.46Å; W141-P164 HydrophobicContact CD2-CG 3.82Å; W141-P164 HydrophobicContact CE3-CG 3.79Å; W141-P164 HydrophobicContact CH2-CG 3.41Å; W141-P164 VanDerWaalsContact CH2-CG 3.41Å; W141-P164 HydrophobicContact CZ2-CG 3.45Å; W141-P164 VanDerWaalsContact CZ2-CG 3.45Å; W141-P164 HydrophobicContact CZ3-CG 3.59Å; W141-I176 HydrophobicContact CD2-CG2 4.4Å; W141-I176 HydrophobicContact CG-CG2 4.19Å; W141-I176 VanDerWaalsContact NE1-CG2 3.35Å
142Q95Very high96.7Very high137 Ų13753.8 Ų53.864%0.6426%0.261SS*.THydrogen-bonded Turntrans-74.3-8.1177.5-69.8175.4-15.700113.5T138T138-Q142 HydrophobicContact CG2-CG 4.34Å; T138-Q142 WeakPolarHBondContact O-CB 3.32Å; T138-Q142 WeakPolarHBondContact O-CG 3.48Å; T138-Q142 PolarHBondContact O-N 3.48Å
143H97.5Very high96.6Very high83 Ų8353.8 Ų53.838%0.38426%0.261SS..SBendtrans-64.6133.9179.2-167.1-74.5000110.4L139 M140 W141 F145 T146L139-H143 PolarHBondContact O-N 3.48Å; M140-H143 WeakPolarHBondContact O-CB 3.28Å; M140-H143 PolarHBondContact O-N 3.28Å; W141-H143 PolarHBondContact O-N 2.94Å; H143-F145 VanDerWaalsContact C-N 3.27Å; H143-F145 AromaticContact CE1-CD2 3.13Å; H143-F145 WeakPolarHBondContact CE1-CD2 3.3Å; H143-F145 AromaticContact CE1-CE2 3.68Å; H143-F145 AromaticContact CE1-CG 3.62Å; H143-F145 WeakPolarHBondContact ND1-CB 3.35Å; H143-F145 AromaticContact ND1-CD2 3.63Å; H143-F145 AromaticContact ND1-CG 3.73Å; H143-F145 PolarHBondContact ND1-N 3.39Å; H143-F145 VanDerWaalsContact ND1-N 3.14Å; H143-F145 PolarHBondContact O-N 2.92Å; H143-T146 VanDerWaalsContact O-CB 3.3Å; H143-T146 WeakPolarHBondContact O-CB 3.39Å; H143-T146 PolarHBondContact O-N 3.12Å
144P97.2Very high96.4Very high95 Ų9556 Ų5662%0.61727%0.274SS*.Hα-helixtrans-57.3-37.1-176.119.7-32.9000113.5T146 H147 E148P144-T146 VanDerWaalsContact C-N 3.26Å; P144-T146 PolarHBondContact O-N 3.04Å; P144-H147 PolarHBondContact O-N 2.69Å; P144-E148 PolarHBondContact O-N 3.44Å; P144-E148 VanDerWaalsContact O-N 3.13Å
145F97.8Very high96.1Very high114 Ų11460.9 Ų60.950%0.530%0.3SS..Hα-helixtrans-61.8-28.5174.2-63-35.4000114.4H143 H147 E148 Q149H143-F145 VanDerWaalsContact C-N 3.27Å; H143-F145 AromaticContact CE1-CD2 3.13Å; H143-F145 WeakPolarHBondContact CE1-CD2 3.3Å; H143-F145 AromaticContact CE1-CE2 3.68Å; H143-F145 AromaticContact CE1-CG 3.62Å; H143-F145 WeakPolarHBondContact ND1-CB 3.35Å; H143-F145 AromaticContact ND1-CD2 3.63Å; H143-F145 AromaticContact ND1-CG 3.73Å; H143-F145 PolarHBondContact ND1-N 3.39Å; H143-F145 VanDerWaalsContact ND1-N 3.14Å; H143-F145 PolarHBondContact O-N 2.92Å; F145-H147 VanDerWaalsContact C-N 3.34Å; F145-E148 PolarHBondContact O-N 3.36Å; F145-Q149 VanDerWaalsContact O-CB 3.26Å; F145-Q149 WeakPolarHBondContact O-CB 3.29Å; F145-Q149 WeakPolarHBondContact O-CG 3.42Å; F145-Q149 PolarHBondContact O-N 2.88Å
146T97.8Very high95.7Very high6 Ų669.3 Ų69.34%0.03733%0.331CS..Hα-helixtrans-64-45.4176.5-68.90000110.1M98 M136 M140 W141 H143 P144 Q149 I150M98-T146 HydrophobicContact CE-CG2 3.66Å; M136-T146 HydrophobicContact CE-CG2 4.45Å; M136-T146 HydrophobicContact SD-CG2 4.01Å; M140-T146 WeakPolarHBondContact O-CB 3.41Å; M140-T146 PolarHBondContact O-OG1 2.93Å; W141-T146 HydrophobicContact CD2-CG2 4.34Å; W141-T146 HydrophobicContact CE3-CG2 3.76Å; W141-T146 HydrophobicContact CZ3-CG2 4.1Å; W141-T146 WeakPolarHBondContact O-CG2 3.08Å; H143-T146 VanDerWaalsContact O-CB 3.3Å; H143-T146 WeakPolarHBondContact O-CB 3.39Å; H143-T146 PolarHBondContact O-N 3.12Å; P144-T146 VanDerWaalsContact C-N 3.26Å; P144-T146 PolarHBondContact O-N 3.04Å; T146-Q149 PolarHBondContact O-N 3.28Å; T146-I150 HydrophobicContact CG2-CD1 3.89Å; T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.47Å; T146-I150 PolarHBondContact O-N 3.26Å
147H94.9Very high95.4Very high118 Ų11871.4 Ų71.455%0.54634%0.343SS..Hα-helixtrans-62.6-49.1176.6-17134.9000111.6P144 F145 Q149 I150 E151P144-H147 PolarHBondContact O-N 2.69Å; F145-H147 VanDerWaalsContact C-N 3.34Å; H147-Q149 VanDerWaalsContact C-N 3.28Å; H147-Q149 PolarHBondContact O-N 3.21Å; H147-I150 PolarHBondContact O-N 2.97Å; H147-I150 VanDerWaalsContact O-N 3.15Å; H147-E151 IonicContact CD2-OE1 3.88Å; H147-E151 IonicContact CE1-OE1 2.72Å; H147-E151 PolarHBondContact CE1-OE1 2.88Å; H147-E151 IonicContact NE2-OE1 3.29Å; H147-E151 PolarHBondContact NE2-OE1 3.38Å; H147-E151 WeakPolarHBondContact O-CG 3.41Å; H147-E151 PolarHBondContact O-N 3.19Å
148E97.8Very high95.2Very high56 Ų5675.5 Ų75.526%0.26236%0.36SS..Hα-helixtrans-58.3-40.4178.2-169.5-161147.700112.2Y103 P144 F145 R152Y103-E148 PolarHBondContact OH-OE1 3.49Å; Y103-E148 VanDerWaalsContact OH-OE1 3.04Å; P144-E148 PolarHBondContact O-N 3.44Å; P144-E148 VanDerWaalsContact O-N 3.13Å; F145-E148 PolarHBondContact O-N 3.36Å; E148-R152 VanDerWaalsContact O-CG 3.32Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 3.01Å; E148-R152 IonicContact OE1-CZ 3.79Å; E148-R152 VanDerWaalsContact OE1-CZ 3.28Å; E148-R152 IonicContact OE1-NE 3.88Å; E148-R152 PolarHBondContact OE1-NE 3.4Å; E148-R152 IonicContact OE1-NH2 3.46Å; E148-R152 PolarHBondContact OE1-NH2 3.04Å
149Q98.3Very high95.2Very high16 Ų1675.9 Ų75.98%0.07536%0.36CS..Hα-helixtrans-67.5-42.3178.7-71.4160.713.100111.3M98 A102 Y103 F145 T146 H147 R152 L153M98-Q149 HydrophobicContact CE-CB 4.18Å; M98-Q149 VanDerWaalsContact CE-OE1 3.26Å; M98-Q149 HydrophobicContact CG-CB 4.11Å; A102-Q149 HydrophobicContact CB-CB 3.84Å; A102-Q149 HydrophobicContact CB-CG 3.89Å; Y103-Q149 HydrophobicContact CE2-CG 3.97Å; F145-Q149 VanDerWaalsContact O-CB 3.26Å; F145-Q149 WeakPolarHBondContact O-CB 3.29Å; F145-Q149 WeakPolarHBondContact O-CG 3.42Å; F145-Q149 PolarHBondContact O-N 2.88Å; T146-Q149 PolarHBondContact O-N 3.28Å; H147-Q149 VanDerWaalsContact C-N 3.28Å; H147-Q149 PolarHBondContact O-N 3.21Å; Q149-R152 PolarHBondContact O-N 3.47Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 3.1Å; Q149-L153 VanDerWaalsContact O-N 3.1Å
150I97.4Very high95.3Very high21 Ų2174.3 Ų74.311%0.10835%0.348CS..Hα-helixtrans-62.3-46.8175.6-69.1167000110.4M98 W141 T146 H147 R152 L153 V154M98-I150 HydrophobicContact CE-CG1 4.44Å; M98-I150 HydrophobicContact SD-CD1 4.38Å; M98-I150 HydrophobicContact SD-CG1 3.77Å; W141-I150 HydrophobicContact CE3-CD1 4.44Å; W141-I150 HydrophobicContact CH2-CD1 3.42Å; W141-I150 VanDerWaalsContact CH2-CD1 3.42Å; W141-I150 HydrophobicContact CZ2-CD1 4.37Å; W141-I150 HydrophobicContact CZ3-CD1 3.46Å; W141-I150 VanDerWaalsContact CZ3-CD1 3.46Å; T146-I150 HydrophobicContact CG2-CD1 3.89Å; T146-I150 VanDerWaalsContact O-CG1 3.29Å; T146-I150 WeakPolarHBondContact O-CG1 3.47Å; T146-I150 PolarHBondContact O-N 3.26Å; H147-I150 PolarHBondContact O-N 2.97Å; H147-I150 VanDerWaalsContact O-N 3.15Å; I150-R152 VanDerWaalsContact C-N 3.28Å; I150-R152 PolarHBondContact O-N 2.89Å; I150-L153 PolarHBondContact O-N 2.74Å; I150-V154 HydrophobicContact CG2-CG2 4.03Å; I150-V154 WeakPolarHBondContact O-CG2 3.32Å; I150-V154 PolarHBondContact O-N 3.24Å
151E97Very high95.3Very high83 Ų8371.3 Ų71.339%0.38834%0.336SS..Hα-helixtrans-55.8-43.1175.8-72.2179.4152.600111.3H147 L153 V154 D155H147-E151 IonicContact CD2-OE1 3.88Å; H147-E151 IonicContact CE1-OE1 2.72Å; H147-E151 PolarHBondContact CE1-OE1 2.88Å; H147-E151 IonicContact NE2-OE1 3.29Å; H147-E151 PolarHBondContact NE2-OE1 3.38Å; H147-E151 WeakPolarHBondContact O-CG 3.41Å; H147-E151 PolarHBondContact O-N 3.19Å; E151-L153 PolarHBondContact O-N 3.31Å; E151-V154 PolarHBondContact O-N 2.86Å; E151-D155 WeakPolarHBondContact O-CA 3.24Å; E151-D155 WeakPolarHBondContact O-CB 3.39Å; E151-D155 PolarHBondContact O-N 3Å
152R95.6Very high95.4Very high66 Ų6669 Ų6925%0.24933%0.327CS..Iπ-helixtrans-60.5-43.5175.3-72.8168.9-178.9-900.8112.4A102 E148 Q149 I150 R156A102-R152 HydrophobicContact CB-CB 4.34Å; E148-R152 VanDerWaalsContact O-CG 3.32Å; E148-R152 WeakPolarHBondContact O-CG 3.4Å; E148-R152 PolarHBondContact O-N 3.01Å; E148-R152 IonicContact OE1-CZ 3.79Å; E148-R152 VanDerWaalsContact OE1-CZ 3.28Å; E148-R152 IonicContact OE1-NE 3.88Å; E148-R152 PolarHBondContact OE1-NE 3.4Å; E148-R152 IonicContact OE1-NH2 3.46Å; E148-R152 PolarHBondContact OE1-NH2 3.04Å; Q149-R152 PolarHBondContact O-N 3.47Å; I150-R152 VanDerWaalsContact C-N 3.28Å; I150-R152 PolarHBondContact O-N 2.89Å; R152-R156 VanDerWaalsContact O-CB 3.26Å; R152-R156 WeakPolarHBondContact O-CB 3.35Å; R152-R156 PolarHBondContact O-N 3.43Å
153L95.5Very high95.4Very high0 Ų067.7 Ų67.70%033%0.325CS..Iπ-helixtrans-70.2-40.9-179.7-62.6-174.9000112L93 M98 M101 A102 F132 Q149 I150 E151 L157 H158 W159L93-L153 HydrophobicContact CD2-CD1 4.43Å; M98-L153 HydrophobicContact CG-CD1 4.14Å; M101-L153 HydrophobicContact CB-CD2 4.27Å; A102-L153 HydrophobicContact CB-CD2 4.19Å; A102-L153 HydrophobicContact CB-CG 4.38Å; F132-L153 HydrophobicContact CE1-CB 4Å; F132-L153 HydrophobicContact CE1-CD1 4.34Å; F132-L153 HydrophobicContact CE2-CD1 4.41Å; F132-L153 HydrophobicContact CZ-CB 4.05Å; F132-L153 HydrophobicContact CZ-CD1 4.22Å; Q149-L153 WeakPolarHBondContact O-CG 3.48Å; Q149-L153 PolarHBondContact O-N 3.1Å; Q149-L153 VanDerWaalsContact O-N 3.1Å; I150-L153 PolarHBondContact O-N 2.74Å; E151-L153 PolarHBondContact O-N 3.31Å; L153-L157 HydrophobicContact CD2-CD1 3.94Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 PolarHBondContact O-N 2.93Å; L153-H158 PolarHBondContact O-N 2.88Å; L153-W159 HydrophobicContact CB-CE3 4.13Å; L153-W159 HydrophobicContact CD1-CE3 4.3Å; L153-W159 HydrophobicContact CD1-CZ3 4.36Å; L153-W159 HydrophobicContact CD2-CE3 3.84Å; L153-W159 HydrophobicContact CD2-CH2 4.32Å; L153-W159 HydrophobicContact CD2-CZ3 3.55Å; L153-W159 HydrophobicContact CG-CE3 4.3Å; L153-W159 HydrophobicContact CG-CZ3 4.4Å; L153-W159 WeakPolarHBondContact O-CB 3.26Å; L153-W159 PolarHBondContact O-N 2.62Å; L153-W159 VanDerWaalsContact O-N 3.17Å
154V94.9Very high95.3Very high47 Ų4764.4 Ų64.429%0.28531%0.311SS..Iπ-helixtrans-77.8-53.5-178.41770000111F132 I150 E151 H158 C161F132-V154 HydrophobicContact CE1-CG2 4.35Å; F132-V154 HydrophobicContact CZ-CG2 3.97Å; I150-V154 HydrophobicContact CG2-CG2 4.03Å; I150-V154 WeakPolarHBondContact O-CG2 3.32Å; I150-V154 PolarHBondContact O-N 3.24Å; E151-V154 PolarHBondContact O-N 2.86Å; V154-H158 WeakPolarHBondContact O-CA 3.48Å; V154-H158 PolarHBondContact O-N 3.08Å; V154-C161 HydrophobicContact CG2-CB 4.14Å
155D92.4Very high95Very high103 Ų10361.6 Ų61.655%0.55129%0.292SS*.Iπ-helixtrans-80.8-38.3-168.2-58.9-24.1000112.1E151 H158E151-D155 WeakPolarHBondContact O-CA 3.24Å; E151-D155 WeakPolarHBondContact O-CB 3.39Å; E151-D155 PolarHBondContact O-N 3Å; D155-H158 PolarHBondContact O-CE1 3.32Å; D155-H158 VanDerWaalsContact O-CE1 3.23Å
156R88.8Confident94.4Very high179 Ų17962.4 Ų62.468%0.67530%0.297SS*.Iπ-helixtrans-87.9-35.8-178.8-55.4-172.1174.9-157.4-1.7113.4R152R152-R156 VanDerWaalsContact O-CB 3.26Å; R152-R156 WeakPolarHBondContact O-CB 3.35Å; R152-R156 PolarHBondContact O-N 3.43Å
157L89.4Confident93.5Very high59 Ų5966.5 Ų66.531%0.30931%0.314SS..THydrogen-bonded Turntrans-104.1-8.3-175.7-53.4178.7000113.2L153 W159L153-L157 HydrophobicContact CD2-CD1 3.94Å; L153-L157 WeakPolarHBondContact O-CB 3.48Å; L153-L157 PolarHBondContact O-N 2.93Å; L157-W159 HydrophobicContact CB-CD2 4.07Å; L157-W159 HydrophobicContact CB-CG 4Å; L157-W159 HydrophobicContact CB-CZ2 4.39Å; L157-W159 HydrophobicContact CD1-CD2 4.2Å; L157-W159 HydrophobicContact CD1-CE3 4.39Å; L157-W159 HydrophobicContact CD1-CH2 3.7Å; L157-W159 HydrophobicContact CD1-CZ2 3.57Å; L157-W159 HydrophobicContact CD1-CZ3 4.14Å; L157-W159 PolarHBondContact O-N 3.4Å
158H91.1Very high92.5Very high134 Ų13465.3 Ų65.362%0.6232%0.316SS*.  trans58.733.4-178-52.3-53.3000113.1L153 V154 D155L153-H158 PolarHBondContact O-N 2.88Å; V154-H158 WeakPolarHBondContact O-CA 3.48Å; V154-H158 PolarHBondContact O-N 3.08Å; D155-H158 PolarHBondContact O-CE1 3.32Å; D155-H158 VanDerWaalsContact O-CE1 3.23Å
159W93.9Very high91.2Very high21 Ų2163.9 Ų63.98%0.0831%0.31CS..  trans-82154.1174.8-63.40.1000110.7M101 V114 V130 F132 L153 L157M101-W159 HydrophobicContact CB-CZ3 4.49Å; M101-W159 HydrophobicContact CE-CE3 4.14Å; M101-W159 HydrophobicContact CE-CH2 4.14Å; M101-W159 HydrophobicContact CE-CZ3 3.36Å; V114-W159 HydrophobicContact CG1-CH2 3.32Å; V114-W159 HydrophobicContact CG1-CZ2 4.15Å; V114-W159 HydrophobicContact CG1-CZ3 4.07Å; V130-W159 HydrophobicContact CB-CB 4.14Å; V130-W159 HydrophobicContact CB-CD2 3.7Å; V130-W159 HydrophobicContact CB-CE3 4.4Å; V130-W159 HydrophobicContact CB-CG 3.56Å; V130-W159 HydrophobicContact CG1-CB 4.38Å; V130-W159 HydrophobicContact CG1-CD2 3.56Å; V130-W159 HydrophobicContact CG1-CE3 3.74Å; V130-W159 HydrophobicContact CG1-CG 3.87Å; V130-W159 HydrophobicContact CG1-CZ2 4.5Å; V130-W159 HydrophobicContact CG1-CZ3 4.35Å; V130-W159 HydrophobicContact CG2-CD2 4.11Å; V130-W159 HydrophobicContact CG2-CG 4.2Å; V130-W159 HydrophobicContact CG2-CZ2 4.29Å; F132-W159 HydrophobicContact CD1-CB 4.1Å; F132-W159 HydrophobicContact CD1-CE3 4.45Å; F132-W159 HydrophobicContact CE1-CB 3.84Å; L153-W159 HydrophobicContact CB-CE3 4.13Å; L153-W159 HydrophobicContact CD1-CE3 4.3Å; L153-W159 HydrophobicContact CD1-CZ3 4.36Å; L153-W159 HydrophobicContact CD2-CE3 3.84Å; L153-W159 HydrophobicContact CD2-CH2 4.32Å; L153-W159 HydrophobicContact CD2-CZ3 3.55Å; L153-W159 HydrophobicContact CG-CE3 4.3Å; L153-W159 HydrophobicContact CG-CZ3 4.4Å; L153-W159 WeakPolarHBondContact O-CB 3.26Å; L153-W159 PolarHBondContact O-N 2.62Å; L153-W159 VanDerWaalsContact O-N 3.17Å; L157-W159 HydrophobicContact CB-CD2 4.07Å; L157-W159 HydrophobicContact CB-CG 4Å; L157-W159 HydrophobicContact CB-CZ2 4.39Å; L157-W159 HydrophobicContact CD1-CD2 4.2Å; L157-W159 HydrophobicContact CD1-CE3 4.39Å; L157-W159 HydrophobicContact CD1-CH2 3.7Å; L157-W159 HydrophobicContact CD1-CZ2 3.57Å; L157-W159 HydrophobicContact CD1-CZ3 4.14Å; L157-W159 PolarHBondContact O-N 3.4Å
160K95.5Very high89.9Confident82 Ų8269.5 Ų69.536%0.35734%0.339SS..EExtended strand (participates in β ladder)trans-99.8111.2-176-64.4174.4-176.6-178.70110.2V130 Y131 F132 E192V130-K160 PolarHBondContact O-N 2.91Å; Y131-K160 CarbonylContact C-O 3.6Å; Y131-K160 VanDerWaalsContact CA-O 3.29Å; Y131-K160 WeakPolarHBondContact CA-O 3.26Å; Y131-K160 HydrophobicContact CD1-CB 3.65Å; Y131-K160 HydrophobicContact CD1-CD 4.06Å; Y131-K160 HydrophobicContact CD2-CD 4.47Å; Y131-K160 HydrophobicContact CE1-CB 3.83Å; Y131-K160 HydrophobicContact CE1-CD 3.39Å; Y131-K160 HydrophobicContact CE1-CG 4.27Å; Y131-K160 HydrophobicContact CE2-CD 3.85Å; Y131-K160 HydrophobicContact CG-CB 4.15Å; Y131-K160 WeakPolarHBondContact OH-CD 3.15Å; Y131-K160 PolarHBondContact OH-NZ 2.83Å; F132-K160 PolarHBondContact N-O 2.87Å; K160-E192 IonicContact NZ-OE1 2.87Å; K160-E192 PolarHBondContact NZ-OE1 2.88Å
161C97.3Very high88.4Confident27 Ų2772.1 Ų72.118%0.18236%0.358CS..EExtended strand (participates in β ladder)trans-72.9134.5169.4-170.60000109.7F132 V154 D163F132-C161 HydrophobicContact CD2-CB 4.47Å; F132-C161 HydrophobicContact CE1-CB 4.12Å; F132-C161 HydrophobicContact CE2-CB 3.67Å; F132-C161 WeakPolarHBondContact CE2-SG 3.34Å; F132-C161 HydrophobicContact CZ-CB 3.47Å; F132-C161 VanDerWaalsContact CZ-CB 3.47Å; V154-C161 HydrophobicContact CG2-CB 4.14Å; C161-D163 PolarHBondContact SG-OD1 2.86Å
162I97.9Very high87.2Confident2 Ų270.7 Ų70.71%0.0137%0.366CS..  trans-106.3102.4165.8-54.6168.9000105.8L89 Y131 F132 A133 P134 A180 I185 H188L89-I162 HydrophobicContact CD1-CD1 4.2Å; Y131-I162 HydrophobicContact CD1-CD1 4.03Å; Y131-I162 HydrophobicContact CD1-CG1 4.16Å; F132-I162 PolarHBondContact O-N 3.29Å; A133-I162 HydrophobicContact CB-CB 4.24Å; P134-I162 WeakPolarHBondContact CD-O 3.47Å; I162-A180 HydrophobicContact CG2-CB 3.62Å; I162-I185 HydrophobicContact CD1-CB 4.4Å; I162-I185 HydrophobicContact CD1-CG1 4.33Å; I162-I185 HydrophobicContact CD1-CG2 4.08Å; I162-I185 HydrophobicContact CG2-CG1 4.22Å; I162-H188 HydrophobicContact CD1-CB 4.06Å; I162-H188 HydrophobicContact CG1-CB 4.29Å
163D95.4Very high85.9Confident109 Ų10972.9 Ų72.958%0.58338%0.379SS*.PPolyproline II helixtrans-61.7143-166.7-67.6-33.3000113C161C161-D163 PolarHBondContact SG-OD1 2.86Å
164P94.8Very high85.1Confident14 Ų1477.1 Ų77.19%0.09141%0.405CS..PPolyproline II helixtrans-66156.6174.630.2-35.8000111.3W141 I176 A178W141-P164 HydrophobicContact CD2-CG 3.82Å; W141-P164 HydrophobicContact CE3-CG 3.79Å; W141-P164 HydrophobicContact CH2-CG 3.41Å; W141-P164 VanDerWaalsContact CH2-CG 3.41Å; W141-P164 HydrophobicContact CZ2-CG 3.45Å; W141-P164 VanDerWaalsContact CZ2-CG 3.45Å; W141-P164 HydrophobicContact CZ3-CG 3.59Å; P164-I176 HydrophobicContact CB-CG2 4.38Å; P164-I176 HydrophobicContact CG-CG2 3.81Å; P164-A178 CarbonylContact C-O 3.55Å; P164-A178 WeakPolarHBondContact CA-O 3.02Å; P164-A178 WeakPolarHBondContact CB-O 3.49Å
165V91.5Very high84.5Confident37 Ų3775.2 Ų75.222%0.22440%0.395CS..EExtended strand (participates in β ladder)trans-98.8156177.5-65.50000111.4K167 G177 A178V165-K167 HydrophobicContact CG2-CD 4.01Å; V165-K167 HydrophobicContact CG2-CG 3.96Å; V165-G177 PolarHBondContact O-N 2.66Å; V165-A178 HydrophobicContact CG2-CB 4Å; V165-A178 PolarHBondContact N-O 3.37Å; V165-A178 PolarHBondContact O-N 3.41Å
166Q86Confident84.2Confident130 Ų13073.8 Ų73.861%0.60739%0.386SS*.EExtended strand (participates in β ladder)trans-79.8117.9168.4-172.8173.51.200110T174 G175 I176Q166-T174 HydrophobicContact CG-CG2 4.14Å; Q166-G175 WeakPolarHBondContact CA-O 3.02Å; Q166-I176 HydrophobicContact CB-CG1 4.01Å; Q166-I176 HydrophobicContact CG-CG1 4.4Å
167K79.1Confident84.3Confident92 Ų9265.3 Ų65.340%0.435%0.354SS..EExtended strand (participates in β ladder)trans-148166.5175.8-72.3-165.9173.4-160.20110.8V165 L169 T174 G175 A178 E181V165-K167 HydrophobicContact CG2-CD 4.01Å; V165-K167 HydrophobicContact CG2-CG 3.96Å; K167-L169 PolarHBondContact O-N 3.05Å; K167-T174 WeakPolarHBondContact O-CA 3.4Å; K167-G175 PolarHBondContact N-O 3.33Å; K167-G175 VanDerWaalsContact N-O 3.09Å; K167-G175 PolarHBondContact O-N 3.14Å; K167-G175 VanDerWaalsContact O-N 3.1Å; K167-A178 HydrophobicContact CB-CB 4.05Å; K167-E181 WeakPolarHBondContact CE-OE1 3.37Å; K167-E181 IonicContact NZ-OE1 3.92Å; K167-E181 PolarHBondContact NZ-OE1 3.19Å
168T72.8Confident84.4Confident93 Ų9363.5 Ų63.557%0.57135%0.348SS*.EExtended strand (participates in β ladder)trans-66.4118.4164.5-550000109E173 T174T168-E173 WeakPolarHBondContact CA-O 3.34Å; T168-T174 PolarHBondContact OG1-OG1 3.17Å; T168-T174 VanDerWaalsContact OG1-OG1 3.1Å
169L70Confident84.7Confident26 Ų2657.3 Ų57.314%0.13632%0.319CS..  trans-84.7173.1179.8-60.7-178.5000111T138 K167 C171 G172 E173 A178T138-L169 WeakPolarHBondContact OG1-CD1 3.42Å; K167-L169 PolarHBondContact O-N 3.05Å; L169-C171 PolarHBondContact O-N 2.99Å; L169-G172 WeakPolarHBondContact O-CA 3.24Å; L169-G172 PolarHBondContact O-N 3.08Å; L169-E173 PolarHBondContact N-O 2.99Å; L169-A178 HydrophobicContact CD2-CB 3.86Å
170I70.7Confident84.8Confident135 Ų13556.4 Ų56.469%0.69232%0.316SS*.THydrogen-bonded Turntrans-61.6-28.4-178-65.9163.7000112.4V19 G172V19-I170 HydrophobicContact CB-CD1 3.24Å; V19-I170 HydrophobicContact CG1-CD1 3.24Å; V19-I170 HydrophobicContact CG2-CD1 3.33Å; I170-G172 PolarHBondContact O-N 3.13Å
171C67.8Low84.9Confident76 Ų7654.7 Ų54.751%0.51431%0.31SS..THydrogen-bonded Turntrans-72.3-5.3173.458.10000113.9N137 L169N137-C171 PolarHBondContact ND2-SG 3.08Å; N137-C171 VanDerWaalsContact ND2-SG 3.4Å; L169-C171 PolarHBondContact O-N 2.99Å
172G70.1Confident84.9Confident53 Ų5354 Ų5455%0.54630%0.304SS..SBendtrans91.2-8.4-17900000114.8L169 I170L169-G172 WeakPolarHBondContact O-CA 3.24Å; L169-G172 PolarHBondContact O-N 3.08Å; I170-G172 PolarHBondContact O-N 3.13Å
173E69.8Low84.9Confident111 Ų11157.1 Ų57.152%0.51933%0.326SS..  trans-86.2138.8179.7-64.6-178.3165.800112T168 L169T168-E173 WeakPolarHBondContact CA-O 3.34Å; L169-E173 PolarHBondContact N-O 2.99Å
174T78Confident84.9Confident90 Ų9055 Ų5555%0.55232%0.315SS*.EExtended strand (participates in β ladder)trans-86.7119.5171.5-55.20000110.1Q166 K167 T168Q166-T174 HydrophobicContact CG-CG2 4.14Å; K167-T174 WeakPolarHBondContact O-CA 3.4Å; T168-T174 PolarHBondContact OG1-OG1 3.17Å; T168-T174 VanDerWaalsContact OG1-OG1 3.1Å
175G83Confident85.1Confident7 Ų754.3 Ų54.37%0.07231%0.311CS..EExtended strand (participates in β ladder)trans-167.9174.3177.900000112.3T138 Q166 K167T138-G175 WeakPolarHBondContact OG1-CA 3.47Å; Q166-G175 WeakPolarHBondContact CA-O 3.02Å; K167-G175 PolarHBondContact N-O 3.33Å; K167-G175 VanDerWaalsContact N-O 3.09Å; K167-G175 PolarHBondContact O-N 3.14Å; K167-G175 VanDerWaalsContact O-N 3.1Å
176I86.3Confident85.4Confident73 Ų7353 Ų5337%0.37430%0.303SS..EExtended strand (participates in β ladder)trans-76.5137.2177.3-60.9172.2000108.9T138 W141 P164 Q166T138-I176 VanDerWaalsContact CA-O 3.25Å; T138-I176 WeakPolarHBondContact CA-O 3.34Å; T138-I176 PolarHBondContact OG1-O 3.3Å; W141-I176 HydrophobicContact CD2-CG2 4.4Å; W141-I176 HydrophobicContact CG-CG2 4.19Å; W141-I176 VanDerWaalsContact NE1-CG2 3.35Å; P164-I176 HydrophobicContact CB-CG2 4.38Å; P164-I176 HydrophobicContact CG-CG2 3.81Å; Q166-I176 HydrophobicContact CB-CG1 4.01Å; Q166-I176 HydrophobicContact CG-CG1 4.4Å
177G89.5Confident85.8Confident0 Ų051.1 Ų51.10%030%0.297CS..EExtended strand (participates in β ladder)trans146.2-13.2174.400000113.8A135 M136 V165A135-G177 CarbonylContact C-O 3.55Å; A135-G177 WeakPolarHBondContact CA-O 3.24Å; M136-G177 PolarHBondContact N-O 2.78Å; M136-G177 CarbonylContact O-C 3.55Å; M136-G177 VanDerWaalsContact O-CA 3.26Å; M136-G177 WeakPolarHBondContact O-CA 3.42Å; V165-G177 PolarHBondContact O-N 2.66Å
178A92.6Very high86.6Confident21 Ų2150.5 Ų50.517%0.17430%0.295CS..EExtended strand (participates in β ladder)trans-65.5136.7170.900000109.9P164 V165 K167 L169 A180P164-A178 CarbonylContact C-O 3.55Å; P164-A178 WeakPolarHBondContact CA-O 3.02Å; P164-A178 WeakPolarHBondContact CB-O 3.49Å; V165-A178 HydrophobicContact CG2-CB 4Å; V165-A178 PolarHBondContact N-O 3.37Å; V165-A178 PolarHBondContact O-N 3.41Å; K167-A178 HydrophobicContact CB-CB 4.05Å; L169-A178 HydrophobicContact CD2-CB 3.86Å; A178-A180 PolarHBondContact O-N 2.7Å
179M96.7Very high87.7Confident4 Ų446.1 Ų46.12%0.0227%0.268CS..  trans-50.8141.2174.3-163.7175.868.800110.4A20 K23 A91 P92 A133 A135 I185A20-M179 HydrophobicContact CB-CB 3.7Å; A20-M179 HydrophobicContact CB-CE 4.23Å; A20-M179 HydrophobicContact CB-CG 4.46Å; A20-M179 HydrophobicContact CB-SD 4.06Å; K23-M179 HydrophobicContact CB-CE 4.25Å; K23-M179 HydrophobicContact CD-CE 4.15Å; A91-M179 HydrophobicContact CB-SD 4.19Å; P92-M179 VanDerWaalsContact CA-SD 3.56Å; P92-M179 HydrophobicContact CB-SD 3.68Å; P92-M179 HydrophobicContact CG-SD 4.41Å; A133-M179 HydrophobicContact CB-CG 3.93Å; A133-M179 HydrophobicContact CB-SD 4.44Å; A135-M179 HydrophobicContact CB-CB 3.67Å; A135-M179 HydrophobicContact CB-CG 4.21Å; M179-I185 HydrophobicContact CE-CD1 3.98Å; M179-I185 HydrophobicContact CG-CD1 4.11Å; M179-I185 HydrophobicContact SD-CD1 4.07Å
180A97Very high88.7Confident2 Ų250.7 Ų50.72%0.01729%0.287CS..  trans-45.8150.9168.800000111.7I162 A178 I185I162-A180 HydrophobicContact CG2-CB 3.62Å; A178-A180 PolarHBondContact O-N 2.7Å; A180-I185 HydrophobicContact CB-CD1 4.41Å; A180-I185 HydrophobicContact CB-CG1 3.96Å
181E96.8Very high89.4Confident47 Ų4750.6 Ų50.622%0.2228%0.284CS..  trans-65.2149.8177.6-69.7-54.2144.600111.3K23 K167 S183 D184 I185K23-E181 VanDerWaalsContact NZ-CD 3.29Å; K23-E181 IonicContact NZ-OE1 2.78Å; K23-E181 PolarHBondContact NZ-OE1 3.38Å; K23-E181 IonicContact NZ-OE2 2.66Å; K23-E181 PolarHBondContact NZ-OE2 2.92Å; K167-E181 WeakPolarHBondContact CE-OE1 3.37Å; K167-E181 IonicContact NZ-OE1 3.92Å; K167-E181 PolarHBondContact NZ-OE1 3.19Å; E181-S183 PolarHBondContact O-N 2.68Å; E181-D184 WeakPolarHBondContact O-CA 3.4Å; E181-D184 WeakPolarHBondContact O-CB 3.44Å; E181-D184 PolarHBondContact O-N 2.63Å; E181-I185 PolarHBondContact O-N 2.73Å
182V98Very high90.3Very high12 Ų1247.1 Ų47.17%0.07326%0.26CS..Hα-helixtrans-54.2-41.4-177.9168.60000110.7K23 L27 K30 D184 I185 V186K23-V182 HydrophobicContact CB-CG2 4.18Å; K23-V182 HydrophobicContact CD-CG2 4.34Å; L27-V182 HydrophobicContact CB-CG1 4.18Å; L27-V182 HydrophobicContact CB-CG2 4.23Å; L27-V182 HydrophobicContact CD1-CG1 3.97Å; K30-V182 HydrophobicContact CB-CG1 4.23Å; K30-V182 HydrophobicContact CG-CG1 4.06Å; V182-D184 VanDerWaalsContact C-N 3.31Å; V182-D184 PolarHBondContact O-N 2.92Å; V182-I185 PolarHBondContact O-N 3.12Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CB 3.49Å; V182-V186 WeakPolarHBondContact O-CG2 3.38Å; V182-V186 PolarHBondContact O-N 3.37Å
183S96.9Very high90.8Very high67 Ų6745.7 Ų45.747%0.46924%0.24SC..Hα-helixtrans-59-40.4175.751.40000112.9E181 V186 N187E181-S183 PolarHBondContact O-N 2.68Å; S183-V186 PolarHBondContact O-N 3.22Å; S183-N187 WeakPolarHBondContact O-CB 3.39Å; S183-N187 PolarHBondContact O-N 3.42Å; S183-N187 PolarHBondContact O-ND2 3.16Å; S183-N187 VanDerWaalsContact O-ND2 3.15Å
184D96.7Very high90.8Very high64 Ų6446 Ų4634%0.34225%0.245SC..Hα-helixtrans-71-41.5-177.9-58.7-29000110.4E181 V182 V186 N187 H188E181-D184 WeakPolarHBondContact O-CA 3.4Å; E181-D184 WeakPolarHBondContact O-CB 3.44Å; E181-D184 PolarHBondContact O-N 2.63Å; V182-D184 VanDerWaalsContact C-N 3.31Å; V182-D184 PolarHBondContact O-N 2.92Å; D184-V186 PolarHBondContact O-N 3.43Å; D184-N187 PolarHBondContact O-N 2.89Å; D184-H188 PolarHBondContact O-N 2.96Å; D184-H188 VanDerWaalsContact O-N 3.1Å; D184-H188 PolarHBondContact O-ND1 3.27Å
185I97.9Very high90.9Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-59.5-48.3174.4-63.6171.1000110.4L27 L89 A91 A133 I162 M179 A180 E181 V182 N187 H188 L189L27-I185 HydrophobicContact CD1-CB 4.32Å; L27-I185 HydrophobicContact CD1-CG2 3.94Å; L89-I185 HydrophobicContact CD1-CG2 4.17Å; L89-I185 HydrophobicContact CD2-CG2 3.61Å; A91-I185 HydrophobicContact CB-CD1 4.25Å; A133-I185 HydrophobicContact CB-CD1 3.93Å; A133-I185 HydrophobicContact CB-CG1 4.25Å; I162-I185 HydrophobicContact CD1-CB 4.4Å; I162-I185 HydrophobicContact CD1-CG1 4.33Å; I162-I185 HydrophobicContact CD1-CG2 4.08Å; I162-I185 HydrophobicContact CG2-CG1 4.22Å; M179-I185 HydrophobicContact CE-CD1 3.98Å; M179-I185 HydrophobicContact CG-CD1 4.11Å; M179-I185 HydrophobicContact SD-CD1 4.07Å; A180-I185 HydrophobicContact CB-CD1 4.41Å; A180-I185 HydrophobicContact CB-CG1 3.96Å; E181-I185 PolarHBondContact O-N 2.73Å; V182-I185 PolarHBondContact O-N 3.12Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.05Å; I185-H188 PolarHBondContact O-N 3.03Å; I185-L189 PolarHBondContact O-N 3.28Å
186V97.4Very high90.2Very high10 Ų1047.2 Ų47.26%0.06125%0.245CC..Hα-helixtrans-62.2-41179.5172.20000110.9L27 K30 L31 I34 V182 S183 D184 H188 L189 K190L27-V186 HydrophobicContact CD1-CG2 3.95Å; K30-V186 HydrophobicContact CB-CG2 3.72Å; L31-V186 HydrophobicContact CD2-CG2 4.25Å; L31-V186 HydrophobicContact CG-CG2 4.46Å; I34-V186 HydrophobicContact CD1-CG1 3.67Å; I34-V186 HydrophobicContact CG1-CG1 4.38Å; I34-V186 HydrophobicContact CG2-CG1 4.12Å; V182-V186 HydrophobicContact CG1-CG2 4.24Å; V182-V186 WeakPolarHBondContact O-CB 3.49Å; V182-V186 WeakPolarHBondContact O-CG2 3.38Å; V182-V186 PolarHBondContact O-N 3.37Å; S183-V186 PolarHBondContact O-N 3.22Å; D184-V186 PolarHBondContact O-N 3.43Å; V186-H188 PolarHBondContact O-N 2.79Å; V186-L189 PolarHBondContact O-N 3.22Å; V186-K190 WeakPolarHBondContact O-CB 3.13Å; V186-K190 PolarHBondContact O-N 3.31Å
187N95.5Very high89.1Confident90 Ų9045.2 Ų45.248%0.48124%0.235SC..Hα-helixtrans-63-38.6177.9-75.8-25.6000112.9S183 D184 I185 L189 K190S183-N187 WeakPolarHBondContact O-CB 3.39Å; S183-N187 PolarHBondContact O-N 3.42Å; S183-N187 PolarHBondContact O-ND2 3.16Å; S183-N187 VanDerWaalsContact O-ND2 3.15Å; D184-N187 PolarHBondContact O-N 2.89Å; I185-N187 VanDerWaalsContact C-N 3.33Å; I185-N187 PolarHBondContact O-N 3.05Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.45Å; N187-K190 PolarHBondContact O-N 3.42Å
188H95.2Very high87.8Confident80 Ų8056.4 Ų56.437%0.3729%0.285SS..Hα-helixtrans-63.8-37.3175.4-79.182.2000112.4Y131 I162 D184 I185 V186Y131-H188 HydrophobicContact CD1-CB 4.31Å; Y131-H188 HydrophobicContact CE1-CB 4Å; Y131-H188 PolarHBondContact OH-O 3.04Å; I162-H188 HydrophobicContact CD1-CB 4.06Å; I162-H188 HydrophobicContact CG1-CB 4.29Å; D184-H188 PolarHBondContact O-N 2.96Å; D184-H188 VanDerWaalsContact O-N 3.1Å; D184-H188 PolarHBondContact O-ND1 3.27Å; I185-H188 PolarHBondContact O-N 3.03Å; V186-H188 PolarHBondContact O-N 2.79Å
189L95.2Very high87.6Confident0 Ų058.2 Ų58.20%029%0.29CS..Hα-helixtrans-81.6-28.5-179.9-71.1176.9000113.4L11 L31 F36 I87 L89 Y131 I185 V186 N187 Q191 E192L11-L189 HydrophobicContact CD1-CD1 3.58Å; L11-L189 HydrophobicContact CD1-CD2 4.24Å; L11-L189 HydrophobicContact CD1-CG 4.49Å; L31-L189 HydrophobicContact CD2-CD1 3.62Å; F36-L189 HydrophobicContact CE2-CB 3.89Å; F36-L189 HydrophobicContact CZ-CB 4.09Å; I87-L189 HydrophobicContact CG2-CD2 4.1Å; L89-L189 HydrophobicContact CB-CD1 4.29Å; L89-L189 HydrophobicContact CD2-CD1 3.59Å; L89-L189 HydrophobicContact CG-CD1 4.35Å; Y131-L189 HydrophobicContact CD1-CD2 4.28Å; Y131-L189 HydrophobicContact CD2-CD2 3.5Å; Y131-L189 HydrophobicContact CE1-CD2 4.47Å; Y131-L189 HydrophobicContact CE2-CD2 3.77Å; Y131-L189 HydrophobicContact CG-CD2 3.77Å; I185-L189 PolarHBondContact O-N 3.28Å; V186-L189 PolarHBondContact O-N 3.22Å; N187-L189 VanDerWaalsContact C-N 3.31Å; N187-L189 PolarHBondContact O-N 3.45Å; L189-Q191 PolarHBondContact O-N 3.1Å; L189-Q191 VanDerWaalsContact O-N 3.08Å; L189-E192 WeakPolarHBondContact O-CB 3.38Å; L189-E192 PolarHBondContact O-N 2.81Å
190K92.1Very high87.1Confident122 Ų12261.1 Ų61.153%0.5330%0.304SS..Hα-helixtrans-55.7-30.1178.8-170.1176-176.3177.30112.5I34 V186 N187 E192 L193I34-K190 HydrophobicContact CD1-CB 4.36Å; V186-K190 WeakPolarHBondContact O-CB 3.13Å; V186-K190 PolarHBondContact O-N 3.31Å; N187-K190 PolarHBondContact O-N 3.42Å; K190-E192 PolarHBondContact O-N 2.84Å; K190-L193 WeakPolarHBondContact O-CB 3.37Å; K190-L193 PolarHBondContact O-N 2.95Å
191Q85.6Confident86.5Confident133 Ų13364.3 Ų64.362%0.62132%0.32SS*.THydrogen-bonded Turntrans-69.3-19.9177-59.5-179.63.200113.5L189 K195L189-Q191 PolarHBondContact O-N 3.1Å; L189-Q191 VanDerWaalsContact O-N 3.08Å; Q191-K195 WeakPolarHBondContact O-CE 3.35Å
192E87.2Confident85.9Confident4 Ų465.4 Ų65.42%0.01933%0.326CS..THydrogen-bonded Turntrans-84.7-27.8177.2-60.8-63.8139.700112R8 I87 Y131 K160 L189 K190 N194 K195R8-E192 IonicContact NH1-OE2 3.99Å; I87-E192 HydrophobicContact CD1-CB 3.42Å; I87-E192 VanDerWaalsContact CD1-CB 3.42Å; I87-E192 HydrophobicContact CD1-CG 4.03Å; Y131-E192 HydrophobicContact CE2-CG 3.8Å; Y131-E192 VanDerWaalsContact OH-CG 3.3Å; Y131-E192 WeakPolarHBondContact OH-CG 3.37Å; Y131-E192 PolarHBondContact OH-OE1 3.15Å; K160-E192 IonicContact NZ-OE1 2.87Å; K160-E192 PolarHBondContact NZ-OE1 2.88Å; L189-E192 WeakPolarHBondContact O-CB 3.38Å; L189-E192 PolarHBondContact O-N 2.81Å; K190-E192 PolarHBondContact O-N 2.84Å; E192-N194 PolarHBondContact O-N 3.15Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.41Å; E192-K195 VanDerWaalsContact O-N 3.1Å; E192-K195 IonicContact OE1-NZ 2.74Å; E192-K195 PolarHBondContact OE1-NZ 3.23Å; E192-K195 WeakPolarHBondContact OE2-CD 3.4Å; E192-K195 IonicContact OE2-NZ 3.45Å; E192-K195 PolarHBondContact OE2-NZ 3.29Å
193L79.2Confident85.2Confident23 Ų2368.7 Ų68.712%0.1234%0.342CS..THydrogen-bonded Turntrans-58.6132.5169.1-67.7169000108.7N9 I34 F36 K190N9-L193 HydrophobicContact CB-CD2 4.3Å; I34-L193 HydrophobicContact CB-CD1 4.06Å; I34-L193 HydrophobicContact CD1-CD1 3.73Å; I34-L193 HydrophobicContact CG1-CD1 3.9Å; I34-L193 WeakPolarHBondContact O-CD1 3.33Å; F36-L193 HydrophobicContact CD1-CD2 3.92Å; F36-L193 HydrophobicContact CD2-CD1 4.21Å; F36-L193 HydrophobicContact CD2-CD2 4.15Å; F36-L193 HydrophobicContact CD2-CG 4.31Å; F36-L193 HydrophobicContact CE1-CD2 3.65Å; F36-L193 HydrophobicContact CE1-CG 4.08Å; F36-L193 HydrophobicContact CE2-CD1 3.82Å; F36-L193 HydrophobicContact CE2-CD2 3.92Å; F36-L193 HydrophobicContact CE2-CG 3.69Å; F36-L193 HydrophobicContact CG-CD2 4.14Å; F36-L193 HydrophobicContact CZ-CD1 4.22Å; F36-L193 HydrophobicContact CZ-CD2 3.67Å; F36-L193 HydrophobicContact CZ-CG 3.56Å; K190-L193 WeakPolarHBondContact O-CB 3.37Å; K190-L193 PolarHBondContact O-N 2.95Å
194N70.3Confident84.4Confident116 Ų11668.8 Ų68.862%0.6233%0.334SS*.THydrogen-bonded Turntrans81.9-3.2-176-43.2-60.5000116.5E192E192-N194 PolarHBondContact O-N 3.15Å
195K79.3Confident83.5Confident83 Ų8369.1 Ų69.136%0.36133%0.333SS..  trans-72.7138.3166.7-68.5-175.9-175.2168.20109.9R8 Q191 E192R8-K195 PolarHBondContact N-O 3.19Å; Q191-K195 WeakPolarHBondContact O-CE 3.35Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.41Å; E192-K195 VanDerWaalsContact O-N 3.1Å; E192-K195 IonicContact OE1-NZ 2.74Å; E192-K195 PolarHBondContact OE1-NZ 3.23Å; E192-K195 WeakPolarHBondContact OE2-CD 3.4Å; E192-K195 IonicContact OE2-NZ 3.45Å; E192-K195 PolarHBondContact OE2-NZ 3.29Å
196S68.2Low82.4Confident40 Ų4074.5 Ų74.528%0.2836%0.359SS..BIsolated β-bridgetrans-64.4145.5174.8-166.30000110.2R8 F198R8-S196 PolarHBondContact NE-O 3.4Å; R8-S196 VanDerWaalsContact NE-O 3.08Å; S196-F198 WeakPolarHBondContact CB-O 3.46Å; S196-F198 PolarHBondContact O-N 3.22Å; S196-F198 PolarHBondContact OG-N 3.26Å; S196-F198 PolarHBondContact OG-O 3.42Å
197L64.8Low81.1Confident32 Ų3279.8 Ų79.817%0.16838%0.383CS..  trans-67.3-23.6169.2-85.3163.6000112.5L6 R8 D86L6-L197 HydrophobicContact CB-CD1 3.84Å; L6-L197 HydrophobicContact CD2-CD1 3.66Å; L6-L197 HydrophobicContact CG-CD1 4.38Å; L6-L197 PolarHBondContact O-N 3.19Å; R8-L197 HydrophobicContact CG-CD2 3.69Å; R8-L197 HydrophobicContact CG-CG 3.84Å; D86-L197 HydrophobicContact CB-CD2 4.14Å; D86-L197 VanDerWaalsContact OD1-CD2 3.31Å; D86-L197 WeakPolarHBondContact OD1-CD2 3.15Å
198F61.2Low79.8Confident235 Ų23578.9 Ų78.9100%1.03138%0.375SS*.  trans-130.90179.6-50.1-77.1000111.5S196S196-F198 WeakPolarHBondContact CB-O 3.46Å; S196-F198 PolarHBondContact O-N 3.22Å; S196-F198 PolarHBondContact OG-N 3.26Å; S196-F198 PolarHBondContact OG-O 3.42Å

Retrieved 198 of 198 residues in 59.4 ms (Link to these results)

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