A0A087Y5V0_POEFO Loading...

HPS4 biogenesis of lysosomal organelles complex 3 subunit 2

AlphaFold DB , UniProt , Accession A0A087Y5V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 616 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
1M31.8Very low38.6Very low245 Ų245137.9 Ų137.9100%1.20773%0.73SS**  0149.40-65.7175.9179.100107.6
2A28.9Very low42.6Very low95 Ų95126.5 Ų126.579%0.78567%0.669SS**  trans-78.6124.417200000109.2L4A2-L4 PolarHBondContact O-N 2.89Å; A2-L4 VanDerWaalsContact O-N 3.07Å
3E25.6Very low46.1Very low186 Ų186122.3 Ų122.387%0.86964%0.639SS**  trans-65.5108.3168-78.5-166.8116.200109.2K5E3-K5 PolarHBondContact O-N 3.22Å
4L29.9Very low49.5Very low170 Ų170117.1 Ų117.189%0.8961%0.607SS**  trans-71.473.1164.6-89.1161.3000109A2 P6A2-L4 PolarHBondContact O-N 2.89Å; A2-L4 VanDerWaalsContact O-N 3.07Å; L4-P6 VanDerWaalsContact O-N 3.15Å
5K24.9Very low52.5Low183 Ų183109.3 Ų109.380%0.79657%0.566SS**PPolyproline II helixtrans-52.8118.7168.4-157.7166.8-166.1163.30106.7E3E3-K5 PolarHBondContact O-N 3.22Å
6P26.4Very low55.2Low107 Ų107102.5 Ų102.570%0.69553%0.531SS*.PPolyproline II helixtrans-59140.1-17423.4-33.2000109L4 D8L4-P6 VanDerWaalsContact O-N 3.15Å; P6-D8 PolarHBondContact O-N 3.45Å
7P35.1Very low57.7Low111 Ų11196.5 Ų96.572%0.72150%0.5SS*.PPolyproline II helixtrans-58.2138.1176.525.7-33.7000109T9P7-T9 WeakPolarHBondContact O-CG2 3.35Å; P7-T9 PolarHBondContact O-N 3.19Å
8D37.9Very low59.8Low110 Ų11092.3 Ų92.359%0.58848%0.477SS*.  trans-52.6102.1174.2-90.3-42.2000109.5P6 R10 R13P6-D8 PolarHBondContact O-N 3.45Å; D8-R10 PolarHBondContact O-N 3.25Å; D8-R10 VanDerWaalsContact O-N 3.17Å; D8-R13 IonicContact OD2-CZ 2.75Å; D8-R13 IonicContact OD2-NE 2.7Å; D8-R13 PolarHBondContact OD2-NE 2.78Å; D8-R13 IonicContact OD2-NH2 2.77Å; D8-R13 PolarHBondContact OD2-NH2 3.21Å
9T48.5Very low61.6Low129 Ų12987.9 Ų87.979%0.79145%0.454SS*.  trans-73.6-5.2-177.151.80000112.9P7 R11P7-T9 WeakPolarHBondContact O-CG2 3.35Å; P7-T9 PolarHBondContact O-N 3.19Å; T9-R11 PolarHBondContact O-N 3.14Å
10R61Low63.1Low112 Ų11284.5 Ų84.542%0.42344%0.442SS..  trans-74.7101.4175.4-56.4-166.2-176.6-160.36.1109.9D8 C12 P39 E41D8-R10 PolarHBondContact O-N 3.25Å; D8-R10 VanDerWaalsContact O-N 3.17Å; R10-C12 CarbonylContact C-O 3.56Å; R10-C12 VanDerWaalsContact CB-O 3.27Å; R10-C12 WeakPolarHBondContact CB-O 3.44Å; R10-C12 CarbonylContact O-C 3.43Å; R10-C12 PolarHBondContact O-N 3.44Å; R10-P39 VanDerWaalsContact NH1-CG 3.34Å; R10-E41 IonicContact CZ-OE2 3.13Å; R10-E41 IonicContact NH1-OE2 2.79Å; R10-E41 PolarHBondContact NH1-OE2 2.82Å; R10-E41 IonicContact NH2-OE2 3.44Å; R10-E41 PolarHBondContact NH2-OE2 3.04Å
11R74.8Confident64.4Low69 Ų6982.4 Ų82.426%0.2643%0.434SS..SBendtrans-54.5-37.9179.2-68.9176.1175.5164.1-3.4113T9 L144 G146 Y152T9-R11 PolarHBondContact O-N 3.14Å; R11-L144 HydrophobicContact CB-CD2 4.25Å; R11-L144 PolarHBondContact NH1-O 2.96Å; R11-G146 PolarHBondContact NH1-O 2.77Å; R11-Y152 HydrophobicContact CB-CE1 4.03Å; R11-Y152 HydrophobicContact CG-CE1 4.38Å
12C86.1Confident67.1Low1 Ų175.4 Ų75.41%0.00740%0.397CS..EExtended strand (participates in β ladder)trans-99.7136.4162.8172.20000109R10 Y14 L91 L144R10-C12 CarbonylContact C-O 3.56Å; R10-C12 VanDerWaalsContact CB-O 3.27Å; R10-C12 WeakPolarHBondContact CB-O 3.44Å; R10-C12 CarbonylContact O-C 3.43Å; R10-C12 PolarHBondContact O-N 3.44Å; C12-Y14 VanDerWaalsContact SG-C 3.59Å; C12-Y14 PolarHBondContact SG-O 3.01Å; C12-Y14 VanDerWaalsContact SG-O 3.34Å; C12-L91 HydrophobicContact CB-CD1 4.39Å; C12-L91 VanDerWaalsContact SG-CD1 3.52Å; C12-L144 HydrophobicContact CB-CD1 3.63Å; C12-L144 HydrophobicContact CB-CD2 3.7Å; C12-L144 HydrophobicContact CB-CG 4.33Å
13R89.1Confident70Confident72 Ų7272 Ų7227%0.27237%0.367SS..EExtended strand (participates in β ladder)trans-99.9-34.8174.4-81.6-175.7163.5144.8-2.5113.4D8 P39 R76 G92D8-R13 IonicContact OD2-CZ 2.75Å; D8-R13 IonicContact OD2-NE 2.7Å; D8-R13 PolarHBondContact OD2-NE 2.78Å; D8-R13 IonicContact OD2-NH2 2.77Å; D8-R13 PolarHBondContact OD2-NH2 3.21Å; R13-P39 WeakPolarHBondContact O-CD 3.48Å; R13-R76 PolarHBondContact NH1-O 3.1Å; R13-G92 PolarHBondContact N-O 3.05Å
14Y92.8Very high73Confident49 Ų4971.8 Ų71.819%0.19236%0.358CS..EExtended strand (participates in β ladder)trans-147.4139.2180-66.7-63.9000110.1C12 F37 Y38 K46 L50 F79 L91 G92C12-Y14 VanDerWaalsContact SG-C 3.59Å; C12-Y14 PolarHBondContact SG-O 3.01Å; C12-Y14 VanDerWaalsContact SG-O 3.34Å; Y14-F37 AromaticContact CD1-CE1 3.93Å; Y14-F37 HydrophobicContact CD1-CE1 3.93Å; Y14-F37 AromaticContact CD1-CZ 3.92Å; Y14-F37 HydrophobicContact CD1-CZ 3.92Å; Y14-F37 HydrophobicContact CE1-CE1 4.38Å; Y14-F37 HydrophobicContact CE1-CZ 4.44Å; Y14-Y38 CarbonylContact C-O 3.52Å; Y14-Y38 VanDerWaalsContact CA-O 3.3Å; Y14-Y38 WeakPolarHBondContact CA-O 3.39Å; Y14-K46 PolarHBondContact OH-NZ 2.89Å; Y14-L50 HydrophobicContact CD1-CD1 4.43Å; Y14-L50 HydrophobicContact CE1-CD1 4.2Å; Y14-L50 HydrophobicContact CE2-CD1 4.49Å; Y14-F79 HydrophobicContact CD2-CE1 4.35Å; Y14-F79 HydrophobicContact CD2-CZ 4.05Å; Y14-L91 CarbonylContact O-C 3.55Å; Y14-G92 PolarHBondContact N-O 3.42Å; Y14-G92 VanDerWaalsContact N-O 3.15Å; Y14-G92 PolarHBondContact O-N 2.77Å
15F95.4Very high75.7Confident0 Ų065.5 Ų65.50%033%0.334CS..EExtended strand (participates in β ladder)trans-140.9135.4163.8168.2-105.5000108.8Y36 F37 Y38 A90 L91 L106 L109 W136 L140F15-Y36 AromaticContact CD1-CD1 3.81Å; F15-Y36 HydrophobicContact CD1-CD1 3.81Å; F15-Y36 AromaticContact CD1-CE1 3.92Å; F15-Y36 HydrophobicContact CD1-CE1 3.92Å; F15-Y36 AromaticContact CE1-CD1 3.79Å; F15-Y36 HydrophobicContact CE1-CD1 3.79Å; F15-Y36 HydrophobicContact CE1-CE1 4.22Å; F15-F37 CarbonylContact O-C 3.58Å; F15-Y38 PolarHBondContact N-O 2.72Å; F15-Y38 PolarHBondContact O-N 2.74Å; F15-A90 WeakPolarHBondContact CA-O 3.46Å; F15-A90 WeakPolarHBondContact CD2-O 3.36Å; F15-L91 HydrophobicContact CB-CD1 3.9Å; F15-L91 HydrophobicContact CD2-CB 4.36Å; F15-L91 HydrophobicContact CD2-CD1 4.09Å; F15-L91 HydrophobicContact CG-CD1 4.38Å; F15-L106 HydrophobicContact CD2-CD1 4.36Å; F15-L106 HydrophobicContact CE2-CD1 3.83Å; F15-L109 HydrophobicContact CD1-CD2 4.15Å; F15-L109 HydrophobicContact CD2-CD2 3.73Å; F15-L109 HydrophobicContact CE1-CD2 3.97Å; F15-L109 HydrophobicContact CE2-CD2 3.55Å; F15-L109 HydrophobicContact CE2-CG 4.36Å; F15-L109 HydrophobicContact CG-CD2 4.02Å; F15-L109 HydrophobicContact CZ-CD2 3.67Å; F15-L109 HydrophobicContact CZ-CG 4.19Å; F15-W136 AromaticContact CE1-CD2 3.99Å; F15-W136 HydrophobicContact CE1-CD2 3.99Å; F15-W136 AromaticContact CE1-CE3 3.72Å; F15-W136 HydrophobicContact CE1-CE3 3.72Å; F15-W136 HydrophobicContact CE1-CG 4.44Å; F15-W136 HydrophobicContact CE1-CZ3 4.16Å; F15-W136 HydrophobicContact CZ-CD2 4.4Å; F15-W136 AromaticContact CZ-CE3 3.87Å; F15-W136 HydrophobicContact CZ-CE3 3.87Å; F15-W136 HydrophobicContact CZ-CH2 4.28Å; F15-W136 AromaticContact CZ-CZ3 3.82Å; F15-W136 HydrophobicContact CZ-CZ3 3.82Å; F15-L140 HydrophobicContact CB-CD1 4.45Å; F15-L140 HydrophobicContact CB-CD2 4.22Å; F15-L140 HydrophobicContact CD1-CD1 3.95Å; F15-L140 HydrophobicContact CD1-CD2 4.35Å; F15-L140 HydrophobicContact CD1-CG 4.45Å; F15-L140 HydrophobicContact CG-CD2 4.31Å
16F95.9Very high78.4Confident1 Ų166.9 Ų66.90%0.00434%0.343CS..EExtended strand (participates in β ladder)trans-148.6155.7173.762-96.4000112.7Y36 F37 C51 L54 F88 W89 A90F16-Y36 WeakPolarHBondContact CA-O 3.32Å; F16-Y36 VanDerWaalsContact CB-O 3.22Å; F16-Y36 WeakPolarHBondContact CB-O 3.28Å; F16-F37 HydrophobicContact CB-CB 4.36Å; F16-F37 HydrophobicContact CB-CD2 3.57Å; F16-F37 HydrophobicContact CB-CE2 4.12Å; F16-F37 HydrophobicContact CB-CG 4.17Å; F16-F37 HydrophobicContact CD1-CD2 4.12Å; F16-F37 AromaticContact CD1-CE2 3.76Å; F16-F37 HydrophobicContact CD1-CE2 3.76Å; F16-F37 HydrophobicContact CE1-CE2 4.46Å; F16-F37 HydrophobicContact CG-CD2 4.05Å; F16-F37 HydrophobicContact CG-CE2 4.15Å; F16-C51 WeakPolarHBondContact CD2-SG 3.26Å; F16-C51 HydrophobicContact CE2-CB 4.23Å; F16-L54 HydrophobicContact CE1-CD1 3.73Å; F16-L54 HydrophobicContact CZ-CB 4.03Å; F16-L54 HydrophobicContact CZ-CD1 3.71Å; F16-F88 AromaticContact CE2-CD1 3.82Å; F16-F88 HydrophobicContact CE2-CD1 3.82Å; F16-F88 AromaticContact CE2-CE1 3.7Å; F16-F88 HydrophobicContact CE2-CE1 3.7Å; F16-F88 AromaticContact CZ-CE1 3.99Å; F16-F88 HydrophobicContact CZ-CE1 3.99Å; F16-W89 WeakPolarHBondContact O-CA 3.39Å; F16-A90 HydrophobicContact CD1-CB 4.35Å; F16-A90 HydrophobicContact CE1-CB 3.8Å; F16-A90 HydrophobicContact CE2-CB 4.01Å; F16-A90 HydrophobicContact CZ-CB 3.61Å; F16-A90 PolarHBondContact N-O 2.83Å; F16-A90 PolarHBondContact O-N 3.17Å; F16-A90 VanDerWaalsContact O-N 3.08Å
17L96.1Very high81.1Confident0 Ų065.2 Ų65.20%035%0.346CS..EExtended strand (participates in β ladder)trans-119.9121.3171170.453.4000108.4C35 Y36 F87 W89 V120 Y124 W136L17-C35 HydrophobicContact CB-CB 4.48Å; L17-C35 HydrophobicContact CD2-CB 4.26Å; L17-C35 HydrophobicContact CG-CB 3.98Å; L17-C35 PolarHBondContact O-N 3.45Å; L17-Y36 PolarHBondContact N-O 3.07Å; L17-Y36 PolarHBondContact O-N 3.12Å; L17-F87 HydrophobicContact CD1-CB 4.08Å; L17-F87 HydrophobicContact CD1-CD1 3.79Å; L17-F87 HydrophobicContact CD1-CG 4.31Å; L17-W89 HydrophobicContact CD1-CD2 3.86Å; L17-W89 HydrophobicContact CD1-CG 3.96Å; L17-W89 HydrophobicContact CD1-CZ2 4.07Å; L17-V120 HydrophobicContact CD2-CG1 3.75Å; L17-Y124 HydrophobicContact CD2-CE2 3.73Å; L17-W136 HydrophobicContact CD2-CZ2 3.9Å
18Y95.5Very high83.7Confident22 Ų2263.1 Ų63.19%0.08633%0.328CS..EExtended strand (participates in β ladder)trans-115.6140.7178.4178.5-96.5000110.4V23 T30 G33 I34 C51 A55 F87 F88Y18-V23 HydrophobicContact CE2-CG2 4.46Å; Y18-V23 VanDerWaalsContact OH-CB 3.31Å; Y18-V23 WeakPolarHBondContact OH-CB 3.32Å; Y18-V23 WeakPolarHBondContact OH-CG1 3.43Å; Y18-T30 HydrophobicContact CE2-CG2 3.8Å; Y18-T30 WeakPolarHBondContact CE2-O 3.45Å; Y18-G33 CarbonylContact C-O 3.56Å; Y18-G33 WeakPolarHBondContact CA-O 3.12Å; Y18-I34 HydrophobicContact CD2-CG1 4.23Å; Y18-C51 HydrophobicContact CD2-CB 4.28Å; Y18-A55 HydrophobicContact CD1-CB 4.27Å; Y18-A55 HydrophobicContact CE1-CB 4.31Å; Y18-F87 WeakPolarHBondContact O-CA 3.4Å; Y18-F88 HydrophobicContact CD1-CB 4.26Å; Y18-F88 PolarHBondContact N-O 3.2Å; Y18-F88 PolarHBondContact O-N 3.47Å
19D94.7Very high86.2Confident8 Ų860.7 Ų60.74%0.04332%0.318CS..EExtended strand (participates in β ladder)trans-11897.2-176.9178.2-2.9000109.8S21 K22 G33 F87D19-S21 PolarHBondContact O-N 2.96Å; D19-S21 VanDerWaalsContact O-N 3.16Å; D19-S21 VanDerWaalsContact OD1-CB 3.29Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.7Å; D19-S21 PolarHBondContact OD1-OG 2.74Å; D19-K22 HydrophobicContact CB-CD 4.34Å; D19-K22 PolarHBondContact O-N 2.77Å; D19-K22 WeakPolarHBondContact OD2-CE 3.45Å; D19-K22 IonicContact OD2-NZ 3.4Å; D19-K22 PolarHBondContact OD2-NZ 3.03Å; D19-G33 PolarHBondContact N-O 3.3Å; D19-F87 HydrophobicContact CB-CD1 3.93Å; D19-F87 HydrophobicContact CB-CE1 3.78Å
20G91.5Very high88.3Confident20 Ų2056.1 Ų56.121%0.20629%0.29CS..THydrogen-bonded Turntrans-71.41.5179.300000114.7K22 R24 D86G20-K22 VanDerWaalsContact C-N 3.32Å; G20-R24 WeakPolarHBondContact O-CG 3.28Å; G20-D86 PolarHBondContact N-O 3.34Å
21S90.8Very high89.7Confident41 Ų4155.6 Ų55.629%0.28729%0.289SS..THydrogen-bonded Turntrans-77.1-22.8171.973.10000112.3D19D19-S21 PolarHBondContact O-N 2.96Å; D19-S21 VanDerWaalsContact O-N 3.16Å; D19-S21 VanDerWaalsContact OD1-CB 3.29Å; D19-S21 WeakPolarHBondContact OD1-CB 3.44Å; D19-S21 PolarHBondContact OD1-N 2.7Å; D19-S21 PolarHBondContact OD1-OG 2.74Å
22K88.9Confident90.5Very high97 Ų9757 Ų5742%0.42230%0.301SS..SBendtrans-91.6-15-176.7-65.3174.9178.5132.20115D19 G20 D32 C35D19-K22 HydrophobicContact CB-CD 4.34Å; D19-K22 PolarHBondContact O-N 2.77Å; D19-K22 WeakPolarHBondContact OD2-CE 3.45Å; D19-K22 IonicContact OD2-NZ 3.4Å; D19-K22 PolarHBondContact OD2-NZ 3.03Å; G20-K22 VanDerWaalsContact C-N 3.32Å; K22-D32 VanDerWaalsContact CD-O 3.3Å; K22-D32 WeakPolarHBondContact CD-O 3.31Å; K22-C35 PolarHBondContact NZ-SG 3.4Å
23V90.2Very high90.8Very high25 Ų2557 Ų5715%0.15230%0.301CS..  trans-128.392.9-174.7-177.20000107.2Y18 D28 D32Y18-V23 HydrophobicContact CE2-CG2 4.46Å; Y18-V23 VanDerWaalsContact OH-CB 3.31Å; Y18-V23 WeakPolarHBondContact OH-CB 3.32Å; Y18-V23 WeakPolarHBondContact OH-CG1 3.43Å; V23-D28 HydrophobicContact CB-CB 4.3Å; V23-D28 HydrophobicContact CG1-CB 3.76Å; V23-D32 HydrophobicContact CG2-CB 4.49Å
24R87.9Confident91.1Very high181 Ų18154 Ų5468%0.68329%0.29SS*.  trans-134.8-20.1-172.2-71-173.8167.3-162.32.3113.9G20 D28 D86G20-R24 WeakPolarHBondContact O-CG 3.28Å; R24-D28 PolarHBondContact N-OD2 3.09Å; R24-D86 IonicContact CZ-OD1 3.14Å; R24-D86 IonicContact NH2-OD1 3.15Å; R24-D86 PolarHBondContact NH2-OD1 2.96Å
25G86.8Confident91.2Very high37 Ų3751.9 Ų51.938%0.38128%0.283SS..SBendtrans-83.7154.8168.200000112.6G27 D28G25-G27 PolarHBondContact O-N 3.25Å; G25-D28 VanDerWaalsContact N-CG 3.28Å; G25-D28 PolarHBondContact N-OD2 3Å; G25-D28 PolarHBondContact O-N 2.95Å
26E80.9Confident91.2Very high212 Ų21252.1 Ų52.199%0.99128%0.284SS*.THydrogen-bonded Turntrans-67.3-18.2-178.3-168.3173.8175.600113.5
27G83.8Confident91.1Very high73 Ų7352.4 Ų52.475%0.75329%0.285SS*.THydrogen-bonded Turntrans-107.24.5175.500000115G25G25-G27 PolarHBondContact O-N 3.25Å
28D89.7Confident91Very high66 Ų6654.8 Ų54.835%0.35329%0.294SS..  trans-71124.8-178.2-65.74.7000109.6V23 R24 G25 T30V23-D28 HydrophobicContact CB-CB 4.3Å; V23-D28 HydrophobicContact CG1-CB 3.76Å; R24-D28 PolarHBondContact N-OD2 3.09Å; G25-D28 VanDerWaalsContact N-CG 3.28Å; G25-D28 PolarHBondContact N-OD2 3Å; G25-D28 PolarHBondContact O-N 2.95Å; D28-T30 PolarHBondContact O-N 3.49Å
29P90.3Very high90.8Very high59 Ų5954.2 Ų54.238%0.38329%0.293SS..  trans-76.8128.5-17633.6-35.6000109.9R31 D32P29-R31 HydrophobicContact CB-CG 4.01Å; P29-R31 HydrophobicContact CG-CG 4.31Å; P29-R31 PolarHBondContact O-N 3.5Å; P29-D32 WeakPolarHBondContact CG-OD2 3.28Å; P29-D32 PolarHBondContact O-N 2.94Å
30T91.8Very high90.5Very high33 Ų3358.9 Ų58.920%0.20232%0.315CS..G310 helixtrans-55.3-31.3-171.9-75.70000113.2Y18 D28 D32 G33 D48 C51Y18-T30 HydrophobicContact CE2-CG2 3.8Å; Y18-T30 WeakPolarHBondContact CE2-O 3.45Å; D28-T30 PolarHBondContact O-N 3.49Å; T30-D32 PolarHBondContact O-N 3.42Å; T30-D32 VanDerWaalsContact O-N 3.12Å; T30-G33 PolarHBondContact O-N 2.9Å; T30-D48 VanDerWaalsContact C-OD1 3.29Å; T30-D48 WeakPolarHBondContact CA-OD1 3.34Å; T30-D48 WeakPolarHBondContact CB-OD1 3.24Å; T30-C51 HydrophobicContact CG2-CB 4.03Å
31R91.3Very high90.4Very high102 Ų10264 Ų6439%0.38533%0.333SS..G310 helixtrans-49.2-31.7171.463.7-169.560-164-8.1115.2P29 G33 I34 D45 D48P29-R31 HydrophobicContact CB-CG 4.01Å; P29-R31 HydrophobicContact CG-CG 4.31Å; P29-R31 PolarHBondContact O-N 3.5Å; R31-G33 VanDerWaalsContact C-N 3.27Å; R31-G33 PolarHBondContact O-N 3.48Å; R31-I34 WeakPolarHBondContact O-CB 3.47Å; R31-I34 PolarHBondContact O-N 2.89Å; R31-D45 IonicContact NH2-OD1 3.32Å; R31-D45 PolarHBondContact NH2-OD1 3.44Å; R31-D45 VanDerWaalsContact NH2-OD1 3.14Å; R31-D48 IonicContact CZ-OD2 2.69Å; R31-D48 PolarHBondContact N-OD1 2.91Å; R31-D48 IonicContact NE-OD2 3.21Å; R31-D48 PolarHBondContact NE-OD2 2.68Å; R31-D48 IonicContact NH2-OD2 2.68Å; R31-D48 PolarHBondContact NH2-OD2 2.8Å
32D91.8Very high90.4Very high99 Ų9962.7 Ų62.753%0.52932%0.324SS..G310 helixtrans-71.7-24.9-178.9-68.7-2.6000112K22 V23 P29 T30K22-D32 VanDerWaalsContact CD-O 3.3Å; K22-D32 WeakPolarHBondContact CD-O 3.31Å; V23-D32 HydrophobicContact CG2-CB 4.49Å; P29-D32 WeakPolarHBondContact CG-OD2 3.28Å; P29-D32 PolarHBondContact O-N 2.94Å; T30-D32 PolarHBondContact O-N 3.42Å; T30-D32 VanDerWaalsContact O-N 3.12Å
33G92.5Very high90.7Very high0 Ų062.3 Ų62.30%033%0.331CS..G310 helixtrans-79-14.8169.600000114.1Y18 D19 T30 R31 C35Y18-G33 CarbonylContact C-O 3.56Å; Y18-G33 WeakPolarHBondContact CA-O 3.12Å; D19-G33 PolarHBondContact N-O 3.3Å; T30-G33 PolarHBondContact O-N 2.9Å; R31-G33 VanDerWaalsContact C-N 3.27Å; R31-G33 PolarHBondContact O-N 3.48Å; G33-C35 PolarHBondContact O-N 3.11Å; G33-C35 VanDerWaalsContact O-N 3.08Å
34I94.9Very high90.8Very high9 Ų964.8 Ų64.85%0.04635%0.346CS..EExtended strand (participates in β ladder)trans-77.4100.9-175.4-56179.6000110.3Y18 R31 F37 Q47 C51 K129Y18-I34 HydrophobicContact CD2-CG1 4.23Å; R31-I34 WeakPolarHBondContact O-CB 3.47Å; R31-I34 PolarHBondContact O-N 2.89Å; I34-F37 HydrophobicContact CG2-CB 4.09Å; I34-Q47 HydrophobicContact CD1-CB 4.04Å; I34-C51 HydrophobicContact CD1-CB 3.99Å; I34-C51 HydrophobicContact CG1-CB 4.13Å; I34-K129 WeakPolarHBondContact O-CE 3.49Å; I34-K129 PolarHBondContact O-NZ 3.31Å
35C93.8Very high91.1Very high5 Ų561.5 Ų61.53%0.03434%0.342CS..EExtended strand (participates in β ladder)trans-80.8-34.4177.8-76.70000113.1L17 K22 G33 Y124 K129L17-C35 HydrophobicContact CB-CB 4.48Å; L17-C35 HydrophobicContact CD2-CB 4.26Å; L17-C35 HydrophobicContact CG-CB 3.98Å; L17-C35 PolarHBondContact O-N 3.45Å; K22-C35 PolarHBondContact NZ-SG 3.4Å; G33-C35 PolarHBondContact O-N 3.11Å; G33-C35 VanDerWaalsContact O-N 3.08Å; C35-Y124 HydrophobicContact CB-CD1 4.46Å; C35-Y124 HydrophobicContact CB-CE1 3.85Å; C35-Y124 HydrophobicContact CB-CE2 4.35Å; C35-Y124 PolarHBondContact O-OH 3.02Å; C35-K129 WeakPolarHBondContact O-CE 3.29Å; C35-K129 WeakPolarHBondContact O-CG 3.24Å
36Y95.3Very high91.4Very high5 Ų564.4 Ų64.42%0.0234%0.344CS..EExtended strand (participates in β ladder)trans-153.1146.9171.1-175.9-112.6000111F15 F16 L17 E40 A133 W136 L140F15-Y36 AromaticContact CD1-CD1 3.81Å; F15-Y36 HydrophobicContact CD1-CD1 3.81Å; F15-Y36 AromaticContact CD1-CE1 3.92Å; F15-Y36 HydrophobicContact CD1-CE1 3.92Å; F15-Y36 AromaticContact CE1-CD1 3.79Å; F15-Y36 HydrophobicContact CE1-CD1 3.79Å; F15-Y36 HydrophobicContact CE1-CE1 4.22Å; F16-Y36 WeakPolarHBondContact CA-O 3.32Å; F16-Y36 VanDerWaalsContact CB-O 3.22Å; F16-Y36 WeakPolarHBondContact CB-O 3.28Å; L17-Y36 PolarHBondContact N-O 3.07Å; L17-Y36 PolarHBondContact O-N 3.12Å; Y36-E40 HydrophobicContact CE2-CG 4.31Å; Y36-E40 VanDerWaalsContact CE2-OE1 3.27Å; Y36-E40 WeakPolarHBondContact CE2-OE1 3.33Å; Y36-E40 PolarHBondContact OH-OE1 2.82Å; Y36-A133 HydrophobicContact CD2-CB 3.73Å; Y36-A133 HydrophobicContact CE2-CB 3.61Å; Y36-W136 HydrophobicContact CD1-CB 3.68Å; Y36-W136 AromaticContact CD1-CD1 3.94Å; Y36-W136 AromaticContact CD1-CG 3.82Å; Y36-W136 HydrophobicContact CD1-CG 3.82Å; Y36-W136 HydrophobicContact CD2-CB 4.38Å; Y36-W136 HydrophobicContact CE1-CB 3.51Å; Y36-W136 HydrophobicContact CE1-CG 4.19Å; Y36-W136 HydrophobicContact CE2-CB 4.27Å; Y36-W136 HydrophobicContact CG-CB 4.11Å; Y36-W136 AromaticContact CG-CD1 3.7Å; Y36-W136 HydrophobicContact CG-CG 4.05Å; Y36-L140 HydrophobicContact CE1-CD1 4.07Å
37F95.8Very high92.1Very high7 Ų755.8 Ų55.83%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-144.2130.9174.3-163.5-75.6000110.7Y14 F15 F16 I34 E40 T42 Q47 L50Y14-F37 AromaticContact CD1-CE1 3.93Å; Y14-F37 HydrophobicContact CD1-CE1 3.93Å; Y14-F37 AromaticContact CD1-CZ 3.92Å; Y14-F37 HydrophobicContact CD1-CZ 3.92Å; Y14-F37 HydrophobicContact CE1-CE1 4.38Å; Y14-F37 HydrophobicContact CE1-CZ 4.44Å; F15-F37 CarbonylContact O-C 3.58Å; F16-F37 HydrophobicContact CB-CB 4.36Å; F16-F37 HydrophobicContact CB-CD2 3.57Å; F16-F37 HydrophobicContact CB-CE2 4.12Å; F16-F37 HydrophobicContact CB-CG 4.17Å; F16-F37 HydrophobicContact CD1-CD2 4.12Å; F16-F37 AromaticContact CD1-CE2 3.76Å; F16-F37 HydrophobicContact CD1-CE2 3.76Å; F16-F37 HydrophobicContact CE1-CE2 4.46Å; F16-F37 HydrophobicContact CG-CD2 4.05Å; F16-F37 HydrophobicContact CG-CE2 4.15Å; I34-F37 HydrophobicContact CG2-CB 4.09Å; F37-E40 WeakPolarHBondContact O-CG 3.48Å; F37-T42 HydrophobicContact CE1-CG2 3.79Å; F37-T42 HydrophobicContact CZ-CG2 4.24Å; F37-Q47 HydrophobicContact CB-CG 4.43Å; F37-Q47 VanDerWaalsContact CB-OE1 3.31Å; F37-Q47 HydrophobicContact CD1-CB 4.48Å; F37-Q47 HydrophobicContact CD1-CG 3.75Å; F37-Q47 HydrophobicContact CD2-CB 3.78Å; F37-Q47 HydrophobicContact CD2-CG 3.96Å; F37-Q47 HydrophobicContact CE1-CG 3.96Å; F37-Q47 HydrophobicContact CE2-CB 3.91Å; F37-Q47 HydrophobicContact CE2-CG 4.15Å; F37-Q47 HydrophobicContact CG-CB 4.1Å; F37-Q47 HydrophobicContact CG-CG 3.77Å; F37-Q47 HydrophobicContact CZ-CB 4.34Å; F37-Q47 HydrophobicContact CZ-CG 4.16Å; F37-L50 HydrophobicContact CE2-CB 4.49Å; F37-L50 HydrophobicContact CZ-CD1 4.11Å
38Y93.1Very high92.6Very high50 Ų5053.7 Ų53.720%0.19628%0.275CS..EExtended strand (participates in β ladder)trans-124.4137.6175.7173.4-88.9000109.8Y14 F15 L140Y14-Y38 CarbonylContact C-O 3.52Å; Y14-Y38 VanDerWaalsContact CA-O 3.3Å; Y14-Y38 WeakPolarHBondContact CA-O 3.39Å; F15-Y38 PolarHBondContact N-O 2.72Å; F15-Y38 PolarHBondContact O-N 2.74Å; Y38-L140 HydrophobicContact CD1-CD1 4.19Å; Y38-L140 HydrophobicContact CD2-CD1 3.83Å; Y38-L140 HydrophobicContact CE2-CD1 4.48Å; Y38-L140 HydrophobicContact CG-CD1 3.68Å
39P92.3Very high92.8Very high10 Ų1055.1 Ų55.17%0.06528%0.283CS..SBendcis-72143.3-4.8-16.331.5000111.9R10 R13 E41 T42R10-P39 VanDerWaalsContact NH1-CG 3.34Å; R13-P39 WeakPolarHBondContact O-CD 3.48Å; P39-E41 WeakPolarHBondContact CB-OE1 3.26Å; P39-E41 PolarHBondContact O-N 3.05Å; P39-T42 VanDerWaalsContact O-CB 3.26Å; P39-T42 WeakPolarHBondContact O-CB 3.3Å; P39-T42 PolarHBondContact O-N 3.09Å; P39-T42 PolarHBondContact O-OG1 3.45Å
40E86.9Confident92.9Very high106 Ų10653.8 Ų53.850%0.49527%0.272SS..THydrogen-bonded Turntrans-66-22.9-178.9-69.1166.2-144.900111.4Y36 F37 T42Y36-E40 HydrophobicContact CE2-CG 4.31Å; Y36-E40 VanDerWaalsContact CE2-OE1 3.27Å; Y36-E40 WeakPolarHBondContact CE2-OE1 3.33Å; Y36-E40 PolarHBondContact OH-OE1 2.82Å; F37-E40 WeakPolarHBondContact O-CG 3.48Å; E40-T42 PolarHBondContact O-N 3.25Å; E40-T42 VanDerWaalsContact O-N 3.09Å
41E89.6Confident93Very high126 Ų12652.2 Ų52.259%0.58926%0.262SS*.THydrogen-bonded Turntrans-63-6.5170-43.993.5-9800114.8R10 P39R10-E41 IonicContact CZ-OE2 3.13Å; R10-E41 IonicContact NH1-OE2 2.79Å; R10-E41 PolarHBondContact NH1-OE2 2.82Å; R10-E41 IonicContact NH2-OE2 3.44Å; R10-E41 PolarHBondContact NH2-OE2 3.04Å; P39-E41 WeakPolarHBondContact CB-OE1 3.26Å; P39-E41 PolarHBondContact O-N 3.05Å
42T91.3Very high93.1Very high15 Ų1548.6 Ų48.69%0.09226%0.257CS..SBendtrans-74127.2-176.2-56.20000111.1F37 P39 E40 V44 K46 Q47F37-T42 HydrophobicContact CE1-CG2 3.79Å; F37-T42 HydrophobicContact CZ-CG2 4.24Å; P39-T42 VanDerWaalsContact O-CB 3.26Å; P39-T42 WeakPolarHBondContact O-CB 3.3Å; P39-T42 PolarHBondContact O-N 3.09Å; P39-T42 PolarHBondContact O-OG1 3.45Å; E40-T42 PolarHBondContact O-N 3.25Å; E40-T42 VanDerWaalsContact O-N 3.09Å; T42-V44 PolarHBondContact O-N 3.13Å; T42-K46 HydrophobicContact CG2-CB 4.17Å; T42-K46 HydrophobicContact CG2-CD 4.13Å; T42-K46 HydrophobicContact CG2-CG 4.04Å; T42-Q47 HydrophobicContact CG2-CG 3.97Å; T42-Q47 PolarHBondContact O-NE2 2.91Å
43P94.6Very high93.2Very high88 Ų8849.4 Ų49.457%0.57126%0.258SS*.  trans-54.3138.2178.2-27.935.4000113.2D45 K46 Q47P43-D45 VanDerWaalsContact C-N 3.34Å; P43-D45 PolarHBondContact O-N 3.47Å; P43-K46 WeakPolarHBondContact O-CA 3.43Å; P43-K46 WeakPolarHBondContact O-CB 3.36Å; P43-K46 PolarHBondContact O-N 2.94Å; P43-Q47 PolarHBondContact O-N 2.75Å; P43-Q47 VanDerWaalsContact O-N 3.09Å
44V93.3Very high93.3Very high78 Ų7849.9 Ų49.947%0.47326%0.26SS..Hα-helixtrans-54.6-46.1-169.8179.80000112.3T42 K46 Q47 D48T42-V44 PolarHBondContact O-N 3.13Å; V44-K46 PolarHBondContact O-N 2.93Å; V44-Q47 WeakPolarHBondContact O-CA 3.37Å; V44-Q47 WeakPolarHBondContact O-CB 3.16Å; V44-Q47 PolarHBondContact O-N 2.87Å; V44-D48 PolarHBondContact O-N 3.48Å
45D94.2Very high93.1Very high112 Ų11250.2 Ų50.260%0.59926%0.264SS*.Hα-helixtrans-66-24.9-177.8-47.1-56.3000112.5R31 P43 L49R31-D45 IonicContact NH2-OD1 3.32Å; R31-D45 PolarHBondContact NH2-OD1 3.44Å; R31-D45 VanDerWaalsContact NH2-OD1 3.14Å; P43-D45 VanDerWaalsContact C-N 3.34Å; P43-D45 PolarHBondContact O-N 3.47Å; D45-L49 VanDerWaalsContact O-CB 3.28Å; D45-L49 WeakPolarHBondContact O-CB 3.3Å; D45-L49 PolarHBondContact O-N 3.27Å
46K93.3Very high93Very high98 Ų9851.9 Ų51.943%0.42628%0.283SS..Hα-helixtrans-79.5-29.7171.9-177.5172.9176.6177.10112.3Y14 T42 P43 V44 L50Y14-K46 PolarHBondContact OH-NZ 2.89Å; T42-K46 HydrophobicContact CG2-CB 4.17Å; T42-K46 HydrophobicContact CG2-CD 4.13Å; T42-K46 HydrophobicContact CG2-CG 4.04Å; P43-K46 WeakPolarHBondContact O-CA 3.43Å; P43-K46 WeakPolarHBondContact O-CB 3.36Å; P43-K46 PolarHBondContact O-N 2.94Å; V44-K46 PolarHBondContact O-N 2.93Å; K46-L50 HydrophobicContact CG-CD1 4.03Å; K46-L50 HydrophobicContact CG-CG 4.47Å; K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 WeakPolarHBondContact O-CD1 3.25Å; K46-L50 VanDerWaalsContact O-CG 3.24Å; K46-L50 WeakPolarHBondContact O-CG 3.32Å; K46-L50 PolarHBondContact O-N 2.79Å; K46-L50 VanDerWaalsContact O-N 3.11Å
47Q94.7Very high93Very high31 Ų3155 Ų5515%0.14530%0.302CS..Hα-helixtrans-65.5-49.3168.3-53.5-173.117.300109.9I34 F37 T42 P43 V44 L49 L50 C51I34-Q47 HydrophobicContact CD1-CB 4.04Å; F37-Q47 HydrophobicContact CB-CG 4.43Å; F37-Q47 VanDerWaalsContact CB-OE1 3.31Å; F37-Q47 HydrophobicContact CD1-CB 4.48Å; F37-Q47 HydrophobicContact CD1-CG 3.75Å; F37-Q47 HydrophobicContact CD2-CB 3.78Å; F37-Q47 HydrophobicContact CD2-CG 3.96Å; F37-Q47 HydrophobicContact CE1-CG 3.96Å; F37-Q47 HydrophobicContact CE2-CB 3.91Å; F37-Q47 HydrophobicContact CE2-CG 4.15Å; F37-Q47 HydrophobicContact CG-CB 4.1Å; F37-Q47 HydrophobicContact CG-CG 3.77Å; F37-Q47 HydrophobicContact CZ-CB 4.34Å; F37-Q47 HydrophobicContact CZ-CG 4.16Å; T42-Q47 HydrophobicContact CG2-CG 3.97Å; T42-Q47 PolarHBondContact O-NE2 2.91Å; P43-Q47 PolarHBondContact O-N 2.75Å; P43-Q47 VanDerWaalsContact O-N 3.09Å; V44-Q47 WeakPolarHBondContact O-CA 3.37Å; V44-Q47 WeakPolarHBondContact O-CB 3.16Å; V44-Q47 PolarHBondContact O-N 2.87Å; Q47-L49 PolarHBondContact O-N 2.85Å; Q47-L50 PolarHBondContact O-N 3.08Å; Q47-C51 WeakPolarHBondContact O-CB 3.26Å; Q47-C51 PolarHBondContact O-N 3.16Å; Q47-C51 PolarHBondContact O-SG 3.06Å
48D93.8Very high92.8Very high28 Ų2854.6 Ų54.615%0.1530%0.3CS..Hα-helixtrans-52.3-54176.9-128.1-17.9000111.1T30 R31 V44 L50 C51 G52T30-D48 VanDerWaalsContact C-OD1 3.29Å; T30-D48 WeakPolarHBondContact CA-OD1 3.34Å; T30-D48 WeakPolarHBondContact CB-OD1 3.24Å; R31-D48 IonicContact CZ-OD2 2.69Å; R31-D48 PolarHBondContact N-OD1 2.91Å; R31-D48 IonicContact NE-OD2 3.21Å; R31-D48 PolarHBondContact NE-OD2 2.68Å; R31-D48 IonicContact NH2-OD2 2.68Å; R31-D48 PolarHBondContact NH2-OD2 2.8Å; V44-D48 PolarHBondContact O-N 3.48Å; D48-L50 PolarHBondContact O-N 3.33Å; D48-C51 PolarHBondContact O-N 2.57Å; D48-G52 PolarHBondContact O-N 3.01Å
49L93.7Very high92.6Very high97 Ų9759.9 Ų59.951%0.50832%0.32SS..Hα-helixtrans-60.4-46.2179.5-175.467.6000112.9D45 Q47 Q53D45-L49 VanDerWaalsContact O-CB 3.28Å; D45-L49 WeakPolarHBondContact O-CB 3.3Å; D45-L49 PolarHBondContact O-N 3.27Å; Q47-L49 PolarHBondContact O-N 2.85Å; L49-Q53 HydrophobicContact CD1-CG 4.18Å; L49-Q53 VanDerWaalsContact O-CB 3.28Å; L49-Q53 WeakPolarHBondContact O-CB 3.17Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.49Å; L49-Q53 PolarHBondContact O-N 3.4Å
50L93.3Very high92.6Very high30 Ų3062.3 Ų62.316%0.15734%0.336CS..Hα-helixtrans-69.2-42.8-178.1-75.1172000111.9Y14 F37 K46 Q47 D48 L54Y14-L50 HydrophobicContact CD1-CD1 4.43Å; Y14-L50 HydrophobicContact CE1-CD1 4.2Å; Y14-L50 HydrophobicContact CE2-CD1 4.49Å; F37-L50 HydrophobicContact CE2-CB 4.49Å; F37-L50 HydrophobicContact CZ-CD1 4.11Å; K46-L50 HydrophobicContact CG-CD1 4.03Å; K46-L50 HydrophobicContact CG-CG 4.47Å; K46-L50 WeakPolarHBondContact O-CB 3.47Å; K46-L50 WeakPolarHBondContact O-CD1 3.25Å; K46-L50 VanDerWaalsContact O-CG 3.24Å; K46-L50 WeakPolarHBondContact O-CG 3.32Å; K46-L50 PolarHBondContact O-N 2.79Å; K46-L50 VanDerWaalsContact O-N 3.11Å; Q47-L50 PolarHBondContact O-N 3.08Å; D48-L50 PolarHBondContact O-N 3.33Å; L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 WeakPolarHBondContact O-CD1 3.3Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.98Å
51C94.4Very high92.9Very high0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-62.1-51.7176.1-71.60000110.8F16 Y18 T30 I34 Q47 D48 L54 A55F16-C51 WeakPolarHBondContact CD2-SG 3.26Å; F16-C51 HydrophobicContact CE2-CB 4.23Å; Y18-C51 HydrophobicContact CD2-CB 4.28Å; T30-C51 HydrophobicContact CG2-CB 4.03Å; I34-C51 HydrophobicContact CD1-CB 3.99Å; I34-C51 HydrophobicContact CG1-CB 4.13Å; Q47-C51 WeakPolarHBondContact O-CB 3.26Å; Q47-C51 PolarHBondContact O-N 3.16Å; Q47-C51 PolarHBondContact O-SG 3.06Å; D48-C51 PolarHBondContact O-N 2.57Å; C51-L54 PolarHBondContact O-N 2.74Å; C51-A55 WeakPolarHBondContact O-CB 3.22Å; C51-A55 PolarHBondContact O-N 2.97Å
52G92.8Very high92.9Very high27 Ų2755.2 Ų55.228%0.27831%0.309SS..Hα-helixtrans-62-47.2-178.500000113D48 G56D48-G52 PolarHBondContact O-N 3.01Å; G52-G56 PolarHBondContact O-N 2.9Å
53Q93.3Very high92.9Very high116 Ų11660.1 Ų60.154%0.54233%0.332SS..Hα-helixtrans-64.8-45.2178.9-73.5-175.1-11.300112.6L49 V57L49-Q53 HydrophobicContact CD1-CG 4.18Å; L49-Q53 VanDerWaalsContact O-CB 3.28Å; L49-Q53 WeakPolarHBondContact O-CB 3.17Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.49Å; L49-Q53 PolarHBondContact O-N 3.4Å; Q53-V57 WeakPolarHBondContact O-CB 3.21Å; Q53-V57 VanDerWaalsContact O-CG2 3.26Å; Q53-V57 WeakPolarHBondContact O-CG2 3.18Å; Q53-V57 PolarHBondContact O-N 3.26Å
54L94.3Very high92.8Very high10 Ų1062.7 Ų62.75%0.05234%0.339CS..Hα-helixtrans-73.4-37.6-177.3-70.2168.2000112.2F16 L50 C51 G58 L72 F79 F88F16-L54 HydrophobicContact CE1-CD1 3.73Å; F16-L54 HydrophobicContact CZ-CB 4.03Å; F16-L54 HydrophobicContact CZ-CD1 3.71Å; L50-L54 VanDerWaalsContact O-CB 3.26Å; L50-L54 WeakPolarHBondContact O-CB 3.36Å; L50-L54 WeakPolarHBondContact O-CD1 3.3Å; L50-L54 VanDerWaalsContact O-CG 3.32Å; L50-L54 WeakPolarHBondContact O-CG 3.32Å; L50-L54 PolarHBondContact O-N 2.98Å; C51-L54 PolarHBondContact O-N 2.74Å; L54-G58 WeakPolarHBondContact O-CA 3.4Å; L54-G58 PolarHBondContact O-N 2.88Å; L54-L72 HydrophobicContact CD2-CD1 3.97Å; L54-F79 HydrophobicContact CD1-CD1 3.81Å; L54-F79 HydrophobicContact CD1-CD2 4.36Å; L54-F79 HydrophobicContact CD1-CE1 3.63Å; L54-F79 HydrophobicContact CD1-CE2 4.21Å; L54-F79 HydrophobicContact CD1-CG 4.18Å; L54-F79 HydrophobicContact CD1-CZ 3.84Å; L54-F79 HydrophobicContact CD2-CD2 4.2Å; L54-F79 HydrophobicContact CD2-CE2 4.5Å; L54-F79 HydrophobicContact CD2-CG 4.36Å; L54-F88 VanDerWaalsContact C-CZ 3.48Å; L54-F88 HydrophobicContact CB-CE1 4.23Å; L54-F88 HydrophobicContact CB-CZ 4.16Å; L54-F88 VanDerWaalsContact O-CZ 3.25Å; L54-F88 WeakPolarHBondContact O-CZ 3.29Å
55A92.4Very high92.7Very high15 Ų1562.1 Ų62.112%0.12434%0.339CS..Hα-helixtrans-65.2-46.5173.400000111.2Y18 C51 G58 R59 F88Y18-A55 HydrophobicContact CD1-CB 4.27Å; Y18-A55 HydrophobicContact CE1-CB 4.31Å; C51-A55 WeakPolarHBondContact O-CB 3.22Å; C51-A55 PolarHBondContact O-N 2.97Å; A55-G58 PolarHBondContact O-N 2.82Å; A55-R59 VanDerWaalsContact O-CB 3.24Å; A55-R59 WeakPolarHBondContact O-CB 3.34Å; A55-R59 PolarHBondContact O-N 3.21Å; A55-F88 HydrophobicContact CB-CD1 4.34Å; A55-F88 HydrophobicContact CB-CD2 4.37Å; A55-F88 HydrophobicContact CB-CE1 4.42Å; A55-F88 HydrophobicContact CB-CE2 4.48Å; A55-F88 HydrophobicContact CB-CG 4.31Å
56G91.8Very high92.5Very high41 Ų4162.4 Ų62.442%0.42335%0.35SS..Hα-helixtrans-61.6-49177.800000113.1G52 C60G52-G56 PolarHBondContact O-N 2.9Å; G56-C60 WeakPolarHBondContact O-CB 3.48Å; G56-C60 PolarHBondContact O-N 3.31Å
57V93.5Very high92.3Very high69 Ų6961.4 Ų61.442%0.41836%0.355SS..Hα-helixtrans-66.3-44.1176.9172.50000111.3Q53 R59 C60 V61 L72Q53-V57 WeakPolarHBondContact O-CB 3.21Å; Q53-V57 VanDerWaalsContact O-CG2 3.26Å; Q53-V57 WeakPolarHBondContact O-CG2 3.18Å; Q53-V57 PolarHBondContact O-N 3.26Å; V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 PolarHBondContact O-N 2.72Å; V57-C60 PolarHBondContact O-N 3.18Å; V57-V61 HydrophobicContact CG1-CG2 4.23Å; V57-V61 WeakPolarHBondContact O-CB 3.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.26Å; V57-V61 PolarHBondContact O-N 3.28Å; V57-L72 HydrophobicContact CB-CD1 4.33Å; V57-L72 HydrophobicContact CG1-CD1 3.81Å; V57-L72 HydrophobicContact CG1-CD2 4.22Å
58G91.6Very high92Very high0 Ų063.1 Ų63.10%037%0.374CS..Hα-helixtrans-60.3-42178.600000112.4L54 A55 S62 V69L54-G58 WeakPolarHBondContact O-CA 3.4Å; L54-G58 PolarHBondContact O-N 2.88Å; A55-G58 PolarHBondContact O-N 2.82Å; G58-S62 WeakPolarHBondContact O-CB 3.25Å; G58-S62 PolarHBondContact O-N 3.48Å; G58-S62 VanDerWaalsContact O-N 3.12Å; G58-S62 PolarHBondContact O-OG 3.31Å; G58-V69 WeakPolarHBondContact O-CG2 3.4Å
59R89.5Confident91.9Very high160 Ų16062.5 Ų62.560%0.60437%0.372SS*.Hα-helixtrans-68.1-52.9175.1-175.6171.4-176.4139.912.2112.2A55 V57 V61 S62 E63A55-R59 VanDerWaalsContact O-CB 3.24Å; A55-R59 WeakPolarHBondContact O-CB 3.34Å; A55-R59 PolarHBondContact O-N 3.21Å; V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 PolarHBondContact O-N 2.72Å; R59-V61 PolarHBondContact O-N 3.27Å; R59-S62 WeakPolarHBondContact O-CB 3.36Å; R59-S62 PolarHBondContact O-N 3.25Å; R59-E63 HydrophobicContact CG-CG 4.39Å; R59-E63 WeakPolarHBondContact CG-OE1 3.37Å; R59-E63 IonicContact CZ-OE1 3.67Å; R59-E63 IonicContact NE-OE1 3.79Å; R59-E63 PolarHBondContact NE-OE1 2.92Å; R59-E63 IonicContact NH2-OE1 2.69Å; R59-E63 PolarHBondContact NH2-OE1 3.39Å; R59-E63 VanDerWaalsContact NH2-OE1 3.13Å; R59-E63 WeakPolarHBondContact O-CG 3.27Å; R59-E63 PolarHBondContact O-N 3Å
60C92.4Very high91.8Very high62 Ų6263 Ų6342%0.41937%0.367SS..Hα-helixtrans-55.1-48-179.8176.50000112.1G56 V57 S62 E63 L64G56-C60 WeakPolarHBondContact O-CB 3.48Å; G56-C60 PolarHBondContact O-N 3.31Å; V57-C60 PolarHBondContact O-N 3.18Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.9Å; C60-E63 PolarHBondContact O-N 3.5Å; C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 VanDerWaalsContact O-CG 3.25Å; C60-L64 WeakPolarHBondContact O-CG 3.49Å; C60-L64 PolarHBondContact O-N 2.88Å
61V92.4Very high91.8Very high61 Ų6164.2 Ų64.237%0.3737%0.373SS..Hα-helixtrans-69.3-32178176.30000111.8V57 R59 S65 V69V57-V61 HydrophobicContact CG1-CG2 4.23Å; V57-V61 WeakPolarHBondContact O-CB 3.44Å; V57-V61 WeakPolarHBondContact O-CG2 3.26Å; V57-V61 PolarHBondContact O-N 3.28Å; R59-V61 PolarHBondContact O-N 3.27Å; V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.32Å; V61-S65 PolarHBondContact O-N 3.47Å; V61-S65 PolarHBondContact O-OG 3.44Å; V61-V69 HydrophobicContact CB-CG2 3.72Å; V61-V69 HydrophobicContact CG1-CG2 3.6Å
62S90.9Very high91.7Very high21 Ų2165.6 Ų65.615%0.14738%0.38CS..Hα-helixtrans-67.5-42.4174.7-58.70000112.1G58 R59 C60 S66 S67 V69G58-S62 WeakPolarHBondContact O-CB 3.25Å; G58-S62 PolarHBondContact O-N 3.48Å; G58-S62 VanDerWaalsContact O-N 3.12Å; G58-S62 PolarHBondContact O-OG 3.31Å; R59-S62 WeakPolarHBondContact O-CB 3.36Å; R59-S62 PolarHBondContact O-N 3.25Å; C60-S62 VanDerWaalsContact C-N 3.34Å; C60-S62 PolarHBondContact O-N 2.9Å; S62-S66 WeakPolarHBondContact O-CA 3.28Å; S62-S66 PolarHBondContact O-N 2.68Å; S62-S67 VanDerWaalsContact CA-O 3.28Å; S62-S67 WeakPolarHBondContact CA-O 3.49Å; S62-S67 PolarHBondContact O-N 3.37Å; S62-V69 WeakPolarHBondContact OG-CG2 3.45Å; S62-V69 PolarHBondContact OG-N 3.19Å; S62-V69 VanDerWaalsContact OG-N 3.09Å
63E90.5Very high91.7Very high119 Ų11972.7 Ų72.756%0.55640%0.398SS*.Hα-helixtrans-67.9-43.4177.3-70.1173.5176.800111.2R59 C60 S65R59-E63 HydrophobicContact CG-CG 4.39Å; R59-E63 WeakPolarHBondContact CG-OE1 3.37Å; R59-E63 IonicContact CZ-OE1 3.67Å; R59-E63 IonicContact NE-OE1 3.79Å; R59-E63 PolarHBondContact NE-OE1 2.92Å; R59-E63 IonicContact NH2-OE1 2.69Å; R59-E63 PolarHBondContact NH2-OE1 3.39Å; R59-E63 VanDerWaalsContact NH2-OE1 3.13Å; R59-E63 WeakPolarHBondContact O-CG 3.27Å; R59-E63 PolarHBondContact O-N 3Å; C60-E63 PolarHBondContact O-N 3.5Å; E63-S65 PolarHBondContact O-N 3.05Å
64L93.1Very high91.5Very high141 Ų14171.5 Ų71.574%0.73840%0.395SS*.Hα-helixtrans-65.9-35.6177.1-73.5171.6000114C60C60-L64 WeakPolarHBondContact O-CB 3.42Å; C60-L64 VanDerWaalsContact O-CG 3.25Å; C60-L64 WeakPolarHBondContact O-CG 3.49Å; C60-L64 PolarHBondContact O-N 2.88Å
65S91.4Very high91.2Very high66 Ų6682.2 Ų82.246%0.46244%0.435SS..Hα-helixtrans-93.5-9.2-179.164.90000114.3V61 E63 S67V61-S65 VanDerWaalsContact O-CB 3.29Å; V61-S65 WeakPolarHBondContact O-CB 3.32Å; V61-S65 PolarHBondContact O-N 3.47Å; V61-S65 PolarHBondContact O-OG 3.44Å; E63-S65 PolarHBondContact O-N 3.05Å; S65-S67 PolarHBondContact O-N 3.12Å; S65-S67 PolarHBondContact OG-N 2.94Å; S65-S67 PolarHBondContact OG-O 3.17Å
66S89.6Confident90.8Very high118 Ų11890.9 Ų90.983%0.82547%0.465SS*.THydrogen-bonded Turntrans53.530.2-169-56.70000113.5S62S62-S66 WeakPolarHBondContact O-CA 3.28Å; S62-S66 PolarHBondContact O-N 2.68Å
67S89.4Confident90.7Very high78 Ų7889.6 Ų89.655%0.54545%0.449SS..SBendtrans-147.4137.6-176.5-167.80000110.9S62 S65 V69S62-S67 VanDerWaalsContact CA-O 3.28Å; S62-S67 WeakPolarHBondContact CA-O 3.49Å; S62-S67 PolarHBondContact O-N 3.37Å; S65-S67 PolarHBondContact O-N 3.12Å; S65-S67 PolarHBondContact OG-N 2.94Å; S65-S67 PolarHBondContact OG-O 3.17Å; S67-V69 PolarHBondContact O-N 2.89Å
68A87.9Confident90.6Very high66 Ų6686.5 Ų86.555%0.54543%0.43SS..  trans-68.1124.9-17400000112.4R70A68-R70 PolarHBondContact O-N 2.88Å
69V91.6Very high90.8Very high16 Ų1686.7 Ų86.710%0.09743%0.431CS..  trans-64109.4176.2173.80000110.6G58 V61 S62 S67 L72 I81G58-V69 WeakPolarHBondContact O-CG2 3.4Å; V61-V69 HydrophobicContact CB-CG2 3.72Å; V61-V69 HydrophobicContact CG1-CG2 3.6Å; S62-V69 WeakPolarHBondContact OG-CG2 3.45Å; S62-V69 PolarHBondContact OG-N 3.19Å; S62-V69 VanDerWaalsContact OG-N 3.09Å; S67-V69 PolarHBondContact O-N 2.89Å; V69-L72 HydrophobicContact CG1-CD2 3.89Å; V69-L72 HydrophobicContact CG1-CG 3.89Å; V69-I81 HydrophobicContact CG1-CD1 4.13Å; V69-I81 WeakPolarHBondContact O-CB 3.5Å; V69-I81 WeakPolarHBondContact O-CG2 3.5Å
70R91.7Very high91.1Very high108 Ų10879.1 Ų79.141%0.40840%0.402SS..  trans-88.6-25.4176.2-63-172.272.2-156.74.2114.1A68 A80 I81A68-R70 PolarHBondContact O-N 2.88Å; R70-A80 WeakPolarHBondContact O-CA 3.4Å; R70-I81 PolarHBondContact O-N 3.32Å
71I93Very high91.2Very high54 Ų5476.1 Ų76.128%0.27738%0.382SS..EExtended strand (participates in β ladder)trans-143.9135.3-174.4-61.8-71000110.4F79 A80 T99I71-F79 CarbonylContact C-O 3.56Å; I71-F79 VanDerWaalsContact CA-O 3.3Å; I71-F79 WeakPolarHBondContact CA-O 3.47Å; I71-A80 HydrophobicContact CD1-CB 4.2Å; I71-T99 HydrophobicContact CD1-CG2 3.6Å; I71-T99 HydrophobicContact CG1-CG2 3.64Å; I71-T99 HydrophobicContact CG2-CG2 4.42Å
72L92.9Very high91.3Very high29 Ų2974.9 Ų74.915%0.15237%0.371CS..EExtended strand (participates in β ladder)trans-119.3131.1159.5-69.7179.4000110.4L54 V57 V69 K78 F79 I81L54-L72 HydrophobicContact CD2-CD1 3.97Å; V57-L72 HydrophobicContact CB-CD1 4.33Å; V57-L72 HydrophobicContact CG1-CD1 3.81Å; V57-L72 HydrophobicContact CG1-CD2 4.22Å; V69-L72 HydrophobicContact CG1-CD2 3.89Å; V69-L72 HydrophobicContact CG1-CG 3.89Å; L72-K78 CarbonylContact O-C 3.55Å; L72-K78 WeakPolarHBondContact O-CA 3.41Å; L72-F79 PolarHBondContact N-O 2.65Å; L72-F79 PolarHBondContact O-N 2.72Å; L72-I81 HydrophobicContact CB-CD1 4.24Å; L72-I81 HydrophobicContact CD1-CD1 3.58Å; L72-I81 HydrophobicContact CG-CD1 3.67Å
73R92.3Very high91.4Very high176 Ų17677.1 Ų77.166%0.66438%0.38SS*.EExtended strand (participates in β ladder)trans-113.6108.1-175.2-173.8-179173.8115.4-1.4110.7M95R73-M95 HydrophobicContact CG-CE 3.74Å
74L89.7Confident91.2Very high91 Ų9174.8 Ų74.848%0.47637%0.368SS..  trans-97.4171.9174.8-49-176.8000111.1R76 C77 F79 M95L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 PolarHBondContact O-N 3.49Å; L74-C77 CarbonylContact C-O 3.51Å; L74-C77 WeakPolarHBondContact CA-O 3.42Å; L74-C77 VanDerWaalsContact CB-O 3.3Å; L74-C77 WeakPolarHBondContact CB-O 3.3Å; L74-C77 PolarHBondContact N-O 3.09Å; L74-F79 HydrophobicContact CD1-CD2 4.35Å; L74-F79 HydrophobicContact CD1-CE2 3.89Å; L74-M95 WeakPolarHBondContact O-CE 3.35Å
75R87.2Confident90.8Very high235 Ų23572.4 Ų72.489%0.88736%0.356SS*.SBendtrans-57.8-30.5-176.3-173.1177.2179.7-171.11.5114.8
76R85Confident90.8Very high198 Ų19871.3 Ų71.375%0.74735%0.345SS*.SBendtrans-126-10.1-175.2-68.9-176.1177165.51.1114.7R13 L74R13-R76 PolarHBondContact NH1-O 3.1Å; L74-R76 VanDerWaalsContact C-N 3.27Å; L74-R76 PolarHBondContact O-N 3.49Å
77C89.1Confident91Very high13 Ų1366 Ų669%0.08831%0.307CS..  trans-149.9147.1-173.4-168.70000109.3L74 F79 C93 M95L74-C77 CarbonylContact C-O 3.51Å; L74-C77 WeakPolarHBondContact CA-O 3.42Å; L74-C77 VanDerWaalsContact CB-O 3.3Å; L74-C77 WeakPolarHBondContact CB-O 3.3Å; L74-C77 PolarHBondContact N-O 3.09Å; C77-F79 HydrophobicContact CB-CE2 4.22Å; C77-C93 PolarHBondContact SG-O 3.04Å; C77-M95 PolarHBondContact N-SD 3.37Å
78K92.2Very high91.2Very high5 Ų562.7 Ų62.72%0.02228%0.283CS..EExtended strand (participates in β ladder)trans-120.3139.217265.2-178.6-164.2170.30109.3L72 G92 C93 S94 M95 L97 P98L72-K78 CarbonylContact O-C 3.55Å; L72-K78 WeakPolarHBondContact O-CA 3.41Å; K78-G92 CarbonylContact O-C 3.6Å; K78-G92 WeakPolarHBondContact O-CA 3.43Å; K78-C93 PolarHBondContact N-O 2.81Å; K78-C93 VanDerWaalsContact N-O 3.1Å; K78-C93 PolarHBondContact O-N 2.83Å; K78-S94 WeakPolarHBondContact CE-O 3.34Å; K78-M95 HydrophobicContact CB-SD 4.07Å; K78-M95 HydrophobicContact CG-SD 4.49Å; K78-L97 VanDerWaalsContact NZ-C 3.34Å; K78-L97 PolarHBondContact NZ-O 2.94Å; K78-P98 PolarHBondContact NZ-O 2.87Å
79F94.6Very high91.6Very high4 Ų460 Ų602%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-109.7122.8178.5-68.6-95.4000108.9Y14 L54 I71 L72 L74 C77 I81 A90 L91 G92Y14-F79 HydrophobicContact CD2-CE1 4.35Å; Y14-F79 HydrophobicContact CD2-CZ 4.05Å; L54-F79 HydrophobicContact CD1-CD1 3.81Å; L54-F79 HydrophobicContact CD1-CD2 4.36Å; L54-F79 HydrophobicContact CD1-CE1 3.63Å; L54-F79 HydrophobicContact CD1-CE2 4.21Å; L54-F79 HydrophobicContact CD1-CG 4.18Å; L54-F79 HydrophobicContact CD1-CZ 3.84Å; L54-F79 HydrophobicContact CD2-CD2 4.2Å; L54-F79 HydrophobicContact CD2-CE2 4.5Å; L54-F79 HydrophobicContact CD2-CG 4.36Å; I71-F79 CarbonylContact C-O 3.56Å; I71-F79 VanDerWaalsContact CA-O 3.3Å; I71-F79 WeakPolarHBondContact CA-O 3.47Å; L72-F79 PolarHBondContact N-O 2.65Å; L72-F79 PolarHBondContact O-N 2.72Å; L74-F79 HydrophobicContact CD1-CD2 4.35Å; L74-F79 HydrophobicContact CD1-CE2 3.89Å; C77-F79 HydrophobicContact CB-CE2 4.22Å; F79-I81 HydrophobicContact CB-CG1 4.37Å; F79-A90 HydrophobicContact CD1-CB 4.23Å; F79-L91 VanDerWaalsContact CA-O 3.3Å; F79-L91 WeakPolarHBondContact CA-O 3.39Å; F79-G92 VanDerWaalsContact CD1-CA 3.42Å
80A95.6Very high91.8Very high0 Ų059.3 Ų59.30%025%0.254CS..EExtended strand (participates in β ladder)trans-75.2143.8154.100000108.7R70 I71 A90 L91 V102 L106R70-A80 WeakPolarHBondContact O-CA 3.4Å; I71-A80 HydrophobicContact CD1-CB 4.2Å; A80-A90 CarbonylContact O-C 3.55Å; A80-A90 VanDerWaalsContact O-CA 3.32Å; A80-A90 WeakPolarHBondContact O-CA 3.23Å; A80-L91 PolarHBondContact N-O 3.39Å; A80-L91 PolarHBondContact O-N 2.93Å; A80-V102 HydrophobicContact CB-CG1 3.88Å; A80-V102 VanDerWaalsContact CB-O 3.27Å; A80-V102 WeakPolarHBondContact CB-O 3.27Å; A80-L106 HydrophobicContact CB-CB 4.18Å; A80-L106 HydrophobicContact CB-CD2 3.96Å; A80-L106 WeakPolarHBondContact O-CD2 3.39Å
81I95.6Very high92Very high0 Ų054.2 Ų54.20%024%0.235CC..EExtended strand (participates in β ladder)trans-131.3140.3-177.9-66.8174.4000109.2V69 R70 L72 F79 I83 F88 W89 A90V69-I81 HydrophobicContact CG1-CD1 4.13Å; V69-I81 WeakPolarHBondContact O-CB 3.5Å; V69-I81 WeakPolarHBondContact O-CG2 3.5Å; R70-I81 PolarHBondContact O-N 3.32Å; L72-I81 HydrophobicContact CB-CD1 4.24Å; L72-I81 HydrophobicContact CD1-CD1 3.58Å; L72-I81 HydrophobicContact CG-CD1 3.67Å; F79-I81 HydrophobicContact CB-CG1 4.37Å; I81-I83 HydrophobicContact CG2-CD1 4.41Å; I81-I83 HydrophobicContact CG2-CG1 3.87Å; I81-F88 HydrophobicContact CD1-CE2 4.38Å; I81-F88 HydrophobicContact CD1-CZ 3.89Å; I81-F88 HydrophobicContact CG1-CZ 4.14Å; I81-F88 HydrophobicContact CG2-CD2 4.21Å; I81-F88 HydrophobicContact CG2-CE2 3.54Å; I81-F88 HydrophobicContact CG2-CZ 3.8Å; I81-W89 WeakPolarHBondContact CA-O 3.44Å; I81-A90 HydrophobicContact CG1-CB 4.22Å
82R94.8Very high92Very high35 Ų3551.6 Ų51.613%0.13222%0.222CC..EExtended strand (participates in β ladder)trans-127.9137.3162.1-67.3-62.7176.8-91.5-8.2108.5W89 C103 L106 D107 I110R82-W89 HydrophobicContact CB-CE3 4.22Å; R82-W89 PolarHBondContact N-O 3.15Å; R82-W89 PolarHBondContact O-N 2.82Å; R82-C103 PolarHBondContact NH1-SG 2.93Å; R82-C103 PolarHBondContact NH2-O 3.05Å; R82-C103 PolarHBondContact NH2-SG 3.44Å; R82-L106 HydrophobicContact CB-CD2 4.32Å; R82-L106 HydrophobicContact CG-CD2 3.9Å; R82-L106 HydrophobicContact CG-CG 4.12Å; R82-D107 IonicContact CZ-OD1 3.59Å; R82-D107 VanDerWaalsContact CZ-OD1 3.32Å; R82-D107 IonicContact CZ-OD2 2.72Å; R82-D107 IonicContact NE-OD1 3.12Å; R82-D107 PolarHBondContact NE-OD1 2.73Å; R82-D107 IonicContact NE-OD2 3.82Å; R82-D107 VanDerWaalsContact NH2-CG 3.29Å; R82-D107 IonicContact NH2-OD1 3.47Å; R82-D107 PolarHBondContact NH2-OD1 3.08Å; R82-D107 IonicContact NH2-OD2 3.54Å; R82-D107 PolarHBondContact NH2-OD2 2.85Å; R82-I110 HydrophobicContact CB-CD1 4.02Å; R82-I110 HydrophobicContact CG-CD1 4.05Å
83I91.5Very high91.9Very high67 Ų6750.2 Ų50.234%0.34422%0.215SC..EExtended strand (participates in β ladder)trans-122.4123.7172.9-44.4-173.6000105.2I81 F87 F88I81-I83 HydrophobicContact CG2-CD1 4.41Å; I81-I83 HydrophobicContact CG2-CG1 3.87Å; I83-F87 WeakPolarHBondContact CA-O 3.39Å; I83-F88 HydrophobicContact CD1-CD2 3.91Å; I83-F88 HydrophobicContact CD1-CE2 4.04Å; I83-F88 HydrophobicContact CG1-CD2 3.74Å; I83-F88 HydrophobicContact CG1-CE2 4.11Å
84K87.4Confident91.6Very high71 Ų7143.6 Ų43.631%0.30920%0.195SC..EExtended strand (participates in β ladder)trans-147129.9175.4-161.3-150.1167.6-143.40108.9D86 F87 W89 L442K84-D86 PolarHBondContact O-N 3.28Å; K84-F87 PolarHBondContact N-O 3.47Å; K84-F87 WeakPolarHBondContact O-CA 3.36Å; K84-F87 WeakPolarHBondContact O-CB 3.49Å; K84-F87 PolarHBondContact O-N 3.17Å; K84-W89 HydrophobicContact CB-CH2 4.21Å; K84-W89 HydrophobicContact CB-CZ3 3.78Å; K84-L442 WeakPolarHBondContact CE-O 3.44Å
85D85.1Confident91.4Very high91 Ų9141.6 Ų41.649%0.48718%0.184SC..THydrogen-bonded Turntrans56.5-130.1-175.8-44.2-49.1000109.2F87D85-F87 VanDerWaalsContact C-N 3.34Å
86D90.4Very high91.1Very high43 Ų4334.6 Ų34.623%0.2316%0.161CC..THydrogen-bonded Turntrans-83-7.5171.4-61.7-80.9000114G20 R24 K84 R121G20-D86 PolarHBondContact N-O 3.34Å; R24-D86 IonicContact CZ-OD1 3.14Å; R24-D86 IonicContact NH2-OD1 3.15Å; R24-D86 PolarHBondContact NH2-OD1 2.96Å; K84-D86 PolarHBondContact O-N 3.28Å; D86-R121 IonicContact OD2-CZ 3.55Å; D86-R121 IonicContact OD2-NH1 3.96Å; D86-R121 IonicContact OD2-NH2 2.73Å; D86-R121 PolarHBondContact OD2-NH2 3.38Å
87F93.5Very high91Very high6 Ų626.5 Ų26.53%0.02613%0.133CC..EExtended strand (participates in β ladder)trans-91.4139.6-169.3-66.1-75.2000112.7L17 Y18 D19 I83 K84 D85 W89 V120 R121L17-F87 HydrophobicContact CD1-CB 4.08Å; L17-F87 HydrophobicContact CD1-CD1 3.79Å; L17-F87 HydrophobicContact CD1-CG 4.31Å; Y18-F87 WeakPolarHBondContact O-CA 3.4Å; D19-F87 HydrophobicContact CB-CD1 3.93Å; D19-F87 HydrophobicContact CB-CE1 3.78Å; I83-F87 WeakPolarHBondContact CA-O 3.39Å; K84-F87 PolarHBondContact N-O 3.47Å; K84-F87 WeakPolarHBondContact O-CA 3.36Å; K84-F87 WeakPolarHBondContact O-CB 3.49Å; K84-F87 PolarHBondContact O-N 3.17Å; D85-F87 VanDerWaalsContact C-N 3.34Å; F87-W89 HydrophobicContact CB-CE3 4.11Å; F87-W89 HydrophobicContact CB-CH2 3.31Å; F87-W89 HydrophobicContact CB-CZ2 3.88Å; F87-W89 HydrophobicContact CB-CZ3 3.44Å; F87-W89 VanDerWaalsContact CB-CZ3 3.44Å; F87-W89 HydrophobicContact CD2-CH2 4.36Å; F87-W89 HydrophobicContact CG-CH2 4.07Å; F87-W89 HydrophobicContact CG-CZ2 4.36Å; F87-V120 HydrophobicContact CE1-CG1 4.28Å; F87-V120 HydrophobicContact CZ-CG1 4.31Å; F87-R121 HydrophobicContact CE2-CB 3.97Å; F87-R121 HydrophobicContact CE2-CG 4.35Å; F87-R121 HydrophobicContact CZ-CB 4.15Å; F87-R121 HydrophobicContact CZ-CG 4.33Å
88F94.8Very high90.9Very high9 Ų926 Ų264%0.03913%0.129CC..EExtended strand (participates in β ladder)trans-125.1117.8176.9-179.8-82.6000108.8F16 Y18 L54 A55 I81 I83 A90F16-F88 AromaticContact CE2-CD1 3.82Å; F16-F88 HydrophobicContact CE2-CD1 3.82Å; F16-F88 AromaticContact CE2-CE1 3.7Å; F16-F88 HydrophobicContact CE2-CE1 3.7Å; F16-F88 AromaticContact CZ-CE1 3.99Å; F16-F88 HydrophobicContact CZ-CE1 3.99Å; Y18-F88 HydrophobicContact CD1-CB 4.26Å; Y18-F88 PolarHBondContact N-O 3.2Å; Y18-F88 PolarHBondContact O-N 3.47Å; L54-F88 VanDerWaalsContact C-CZ 3.48Å; L54-F88 HydrophobicContact CB-CE1 4.23Å; L54-F88 HydrophobicContact CB-CZ 4.16Å; L54-F88 VanDerWaalsContact O-CZ 3.25Å; L54-F88 WeakPolarHBondContact O-CZ 3.29Å; A55-F88 HydrophobicContact CB-CD1 4.34Å; A55-F88 HydrophobicContact CB-CD2 4.37Å; A55-F88 HydrophobicContact CB-CE1 4.42Å; A55-F88 HydrophobicContact CB-CE2 4.48Å; A55-F88 HydrophobicContact CB-CG 4.31Å; I81-F88 HydrophobicContact CD1-CE2 4.38Å; I81-F88 HydrophobicContact CD1-CZ 3.89Å; I81-F88 HydrophobicContact CG1-CZ 4.14Å; I81-F88 HydrophobicContact CG2-CD2 4.21Å; I81-F88 HydrophobicContact CG2-CE2 3.54Å; I81-F88 HydrophobicContact CG2-CZ 3.8Å; I83-F88 HydrophobicContact CD1-CD2 3.91Å; I83-F88 HydrophobicContact CD1-CE2 4.04Å; I83-F88 HydrophobicContact CG1-CD2 3.74Å; I83-F88 HydrophobicContact CG1-CE2 4.11Å; F88-A90 HydrophobicContact CE1-CB 3.79Å; F88-A90 HydrophobicContact CZ-CB 4.45Å
89W96.3Very high90.6Very high10 Ų1027.6 Ų27.64%0.03814%0.14CC..EExtended strand (participates in β ladder)trans-108.6137.1171.8-57.1-107.3000109.5F16 L17 I81 R82 K84 F87 L106 I110 V120F16-W89 WeakPolarHBondContact O-CA 3.39Å; L17-W89 HydrophobicContact CD1-CD2 3.86Å; L17-W89 HydrophobicContact CD1-CG 3.96Å; L17-W89 HydrophobicContact CD1-CZ2 4.07Å; I81-W89 WeakPolarHBondContact CA-O 3.44Å; R82-W89 HydrophobicContact CB-CE3 4.22Å; R82-W89 PolarHBondContact N-O 3.15Å; R82-W89 PolarHBondContact O-N 2.82Å; K84-W89 HydrophobicContact CB-CH2 4.21Å; K84-W89 HydrophobicContact CB-CZ3 3.78Å; F87-W89 HydrophobicContact CB-CE3 4.11Å; F87-W89 HydrophobicContact CB-CH2 3.31Å; F87-W89 HydrophobicContact CB-CZ2 3.88Å; F87-W89 HydrophobicContact CB-CZ3 3.44Å; F87-W89 VanDerWaalsContact CB-CZ3 3.44Å; F87-W89 HydrophobicContact CD2-CH2 4.36Å; F87-W89 HydrophobicContact CG-CH2 4.07Å; F87-W89 HydrophobicContact CG-CZ2 4.36Å; W89-L106 HydrophobicContact CB-CD1 3.84Å; W89-I110 HydrophobicContact CB-CD1 4.05Å; W89-I110 HydrophobicContact CD2-CD1 3.8Å; W89-I110 HydrophobicContact CD2-CG1 4.24Å; W89-I110 HydrophobicContact CE3-CD1 4.28Å; W89-I110 HydrophobicContact CG-CD1 3.71Å; W89-I110 HydrophobicContact CG-CG1 4Å; W89-V120 HydrophobicContact CZ2-CG1 4.43Å; W89-V120 HydrophobicContact CZ2-CG2 4.13Å
90A96.3Very high90.3Very high0 Ų027.7 Ų27.70%014%0.14CC..EExtended strand (participates in β ladder)trans-133.2141171.500000112F15 F16 F79 A80 I81 F88F15-A90 WeakPolarHBondContact CA-O 3.46Å; F15-A90 WeakPolarHBondContact CD2-O 3.36Å; F16-A90 HydrophobicContact CD1-CB 4.35Å; F16-A90 HydrophobicContact CE1-CB 3.8Å; F16-A90 HydrophobicContact CE2-CB 4.01Å; F16-A90 HydrophobicContact CZ-CB 3.61Å; F16-A90 PolarHBondContact N-O 2.83Å; F16-A90 PolarHBondContact O-N 3.17Å; F16-A90 VanDerWaalsContact O-N 3.08Å; F79-A90 HydrophobicContact CD1-CB 4.23Å; A80-A90 CarbonylContact O-C 3.55Å; A80-A90 VanDerWaalsContact O-CA 3.32Å; A80-A90 WeakPolarHBondContact O-CA 3.23Å; I81-A90 HydrophobicContact CG1-CB 4.22Å; F88-A90 HydrophobicContact CE1-CB 3.79Å; F88-A90 HydrophobicContact CZ-CB 4.45Å
91L95.2Very high89.9Confident1 Ų127.9 Ų27.91%0.00514%0.142CC..EExtended strand (participates in β ladder)trans-128.6101.4-179.6179.667.4000110.7C12 Y14 F15 F79 A80 V102 L105 L106C12-L91 HydrophobicContact CB-CD1 4.39Å; C12-L91 VanDerWaalsContact SG-CD1 3.52Å; Y14-L91 CarbonylContact O-C 3.55Å; F15-L91 HydrophobicContact CB-CD1 3.9Å; F15-L91 HydrophobicContact CD2-CB 4.36Å; F15-L91 HydrophobicContact CD2-CD1 4.09Å; F15-L91 HydrophobicContact CG-CD1 4.38Å; F79-L91 VanDerWaalsContact CA-O 3.3Å; F79-L91 WeakPolarHBondContact CA-O 3.39Å; A80-L91 PolarHBondContact N-O 3.39Å; A80-L91 PolarHBondContact O-N 2.93Å; L91-V102 HydrophobicContact CD2-CG1 4.26Å; L91-V102 HydrophobicContact CG-CG1 4.43Å; L91-L105 HydrophobicContact CD2-CB 3.94Å; L91-L105 HydrophobicContact CD2-CD2 3.74Å; L91-L105 HydrophobicContact CD2-CG 3.56Å; L91-L106 HydrophobicContact CB-CB 4.09Å; L91-L106 HydrophobicContact CB-CD1 4.16Å; L91-L106 HydrophobicContact CB-CD2 4.32Å; L91-L106 HydrophobicContact CB-CG 4.42Å; L91-L106 HydrophobicContact CD2-CB 3.92Å
92G93.2Very high89.6Confident0 Ų028 Ų280%014%0.142CC..EExtended strand (participates in β ladder)trans-83.4119.1178.400000112.6R13 Y14 K78 F79R13-G92 PolarHBondContact N-O 3.05Å; Y14-G92 PolarHBondContact N-O 3.42Å; Y14-G92 VanDerWaalsContact N-O 3.15Å; Y14-G92 PolarHBondContact O-N 2.77Å; K78-G92 CarbonylContact O-C 3.6Å; K78-G92 WeakPolarHBondContact O-CA 3.43Å; F79-G92 VanDerWaalsContact CD1-CA 3.42Å
93C90.4Very high89.4Confident0 Ų026.6 Ų26.60%014%0.138CC..EExtended strand (participates in β ladder)trans-128.6168.3-177.6-80.50000112.8C77 K78 L97 V102C77-C93 PolarHBondContact SG-O 3.04Å; K78-C93 PolarHBondContact N-O 2.81Å; K78-C93 VanDerWaalsContact N-O 3.1Å; K78-C93 PolarHBondContact O-N 2.83Å; C93-L97 HydrophobicContact CB-CD1 4.05Å; C93-V102 HydrophobicContact CB-CB 4.47Å; C93-V102 HydrophobicContact CB-CG1 3.76Å; C93-V102 HydrophobicContact CB-CG2 3.77Å
94S87Confident89.3Confident36 Ų3626.7 Ų26.725%0.25214%0.137SC..  trans-62.9152.9174.3-171.70000112.5K78 E96K78-S94 WeakPolarHBondContact CE-O 3.34Å; S94-E96 PolarHBondContact O-N 2.99Å
95M83.5Confident89.3Confident49 Ų4923.6 Ų23.624%0.24112%0.124CC..THydrogen-bonded Turntrans-69.3-15.6179-58.4-58.8-67.900113.5R73 L74 C77 K78R73-M95 HydrophobicContact CG-CE 3.74Å; L74-M95 WeakPolarHBondContact O-CE 3.35Å; C77-M95 PolarHBondContact N-SD 3.37Å; K78-M95 HydrophobicContact CB-SD 4.07Å; K78-M95 HydrophobicContact CG-SD 4.49Å
96E80.9Confident89.7Confident88 Ų8819.2 Ų19.241%0.41110%0.101SC..THydrogen-bonded Turntrans-85.2-12.2-174.8-57.7-159.2-15700114.7S94 H535 R539 S542S94-E96 PolarHBondContact O-N 2.99Å; E96-H535 IonicContact OE2-CE1 3.27Å; E96-R539 IonicContact OE1-CZ 3.76Å; E96-R539 IonicContact OE1-NH2 2.8Å; E96-R539 PolarHBondContact OE1-NH2 3.31Å; E96-R539 IonicContact OE2-CZ 3.13Å; E96-R539 IonicContact OE2-NE 2.72Å; E96-R539 PolarHBondContact OE2-NE 3.47Å; E96-R539 IonicContact OE2-NH2 2.68Å; E96-R539 PolarHBondContact OE2-NH2 2.85Å; E96-S542 WeakPolarHBondContact O-CB 3.39Å; E96-S542 PolarHBondContact O-OG 3.1Å
97L84Confident89.8Confident28 Ų2819.3 Ų19.315%0.14710%0.101CC..SBendtrans-82.4158.3177.7-65.5164.3000110.6K78 C93 V102 Y152 I153K78-L97 VanDerWaalsContact NZ-C 3.34Å; K78-L97 PolarHBondContact NZ-O 2.94Å; C93-L97 HydrophobicContact CB-CD1 4.05Å; L97-V102 HydrophobicContact CB-CG2 4.02Å; L97-V102 HydrophobicContact CD1-CG2 4.2Å; L97-Y152 HydrophobicContact CD1-CE1 3.74Å; L97-Y152 HydrophobicContact CD2-CD1 3.9Å; L97-Y152 HydrophobicContact CD2-CE1 3.62Å; L97-Y152 HydrophobicContact CG-CE1 4.34Å; L97-I153 HydrophobicContact CD2-CG1 4Å
98P85.9Confident89.5Confident2 Ų219.8 Ų19.81%0.01310%0.103CC..  trans-68.5151.4174.2-1328.5000111K78 V100 S101 I153 S542 H545K78-P98 PolarHBondContact NZ-O 2.87Å; P98-V100 VanDerWaalsContact C-N 3.31Å; P98-V100 HydrophobicContact CB-CG2 4.39Å; P98-S101 WeakPolarHBondContact CB-OG 3.29Å; P98-S101 WeakPolarHBondContact CD-OG 3.3Å; P98-S101 WeakPolarHBondContact CG-OG 3.38Å; P98-I153 HydrophobicContact CG-CG2 3.72Å; P98-S542 WeakPolarHBondContact CD-OG 3.47Å; P98-S542 WeakPolarHBondContact CG-O 3.38Å; P98-S542 WeakPolarHBondContact CG-OG 3.49Å; P98-H545 HydrophobicContact CG-CB 4.49Å
99T87.7Confident89.4Confident39 Ų3919.5 Ų19.524%0.23910%0.102CC..Hα-helixtrans-63.1-42.5178.5-55.40000110.9I71 V102 C103 S546I71-T99 HydrophobicContact CD1-CG2 3.6Å; I71-T99 HydrophobicContact CG1-CG2 3.64Å; I71-T99 HydrophobicContact CG2-CG2 4.42Å; T99-V102 PolarHBondContact O-N 2.97Å; T99-C103 PolarHBondContact O-N 3.34Å; T99-S546 PolarHBondContact N-OG 3.21Å
100V86.8Confident89.2Confident6 Ų620.1 Ų20.14%0.03611%0.106CC..Hα-helixtrans-48.5-62.9175.3-150.80000111.9P98 V102 C103 E104 F549P98-V100 VanDerWaalsContact C-N 3.31Å; P98-V100 HydrophobicContact CB-CG2 4.39Å; V100-V102 PolarHBondContact O-N 3.42Å; V100-C103 WeakPolarHBondContact O-CA 3.27Å; V100-C103 WeakPolarHBondContact O-CB 3.46Å; V100-C103 PolarHBondContact O-N 3.33Å; V100-E104 HydrophobicContact CG1-CG 4.37Å; V100-E104 PolarHBondContact O-N 3.31Å; V100-F549 HydrophobicContact CB-CB 4.48Å; V100-F549 HydrophobicContact CB-CD1 4.4Å; V100-F549 HydrophobicContact CB-CD2 4.36Å; V100-F549 HydrophobicContact CB-CG 4.16Å; V100-F549 HydrophobicContact CG1-CB 4.28Å; V100-F549 HydrophobicContact CG1-CD1 4Å; V100-F549 HydrophobicContact CG1-CD2 3.34Å; V100-F549 HydrophobicContact CG1-CE1 4.15Å; V100-F549 HydrophobicContact CG1-CE2 3.51Å; V100-F549 HydrophobicContact CG1-CG 3.6Å; V100-F549 HydrophobicContact CG1-CZ 3.92Å; V100-F549 HydrophobicContact CG2-CB 3.4Å; V100-F549 HydrophobicContact CG2-CD1 3.68Å; V100-F549 HydrophobicContact CG2-CD2 4.09Å; V100-F549 HydrophobicContact CG2-CE1 4.48Å; V100-F549 HydrophobicContact CG2-CG 3.45Å; V100-F549 VanDerWaalsContact CG2-CG 3.45Å
101S87.9Confident89Confident4 Ų422.7 Ų22.73%0.02812%0.12CC..Hα-helixtrans-62.1-25.9-169.6-26.70000113.4P98 L105 I153 Q155P98-S101 WeakPolarHBondContact CB-OG 3.29Å; P98-S101 WeakPolarHBondContact CD-OG 3.3Å; P98-S101 WeakPolarHBondContact CG-OG 3.38Å; S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 PolarHBondContact O-N 3.05Å; S101-I153 VanDerWaalsContact CB-O 3.26Å; S101-I153 WeakPolarHBondContact CB-O 3.42Å; S101-I153 PolarHBondContact OG-O 3.45Å; S101-Q155 PolarHBondContact O-NE2 3.03Å
102V89.6Confident88.9Confident2 Ų222.6 Ų22.61%0.01212%0.119CC..Hα-helixtrans-84.4-31.3177.1-179.70000111.3A80 L91 C93 L97 T99 V100 L106A80-V102 HydrophobicContact CB-CG1 3.88Å; A80-V102 VanDerWaalsContact CB-O 3.27Å; A80-V102 WeakPolarHBondContact CB-O 3.27Å; L91-V102 HydrophobicContact CD2-CG1 4.26Å; L91-V102 HydrophobicContact CG-CG1 4.43Å; C93-V102 HydrophobicContact CB-CB 4.47Å; C93-V102 HydrophobicContact CB-CG1 3.76Å; C93-V102 HydrophobicContact CB-CG2 3.77Å; L97-V102 HydrophobicContact CB-CG2 4.02Å; L97-V102 HydrophobicContact CD1-CG2 4.2Å; T99-V102 PolarHBondContact O-N 2.97Å; V100-V102 PolarHBondContact O-N 3.42Å; V102-L106 PolarHBondContact O-N 2.9Å
103C90.6Very high88.8Confident7 Ų722.6 Ų22.65%0.04712%0.119CC..Hα-helixtrans-63.2-52.1167.3-112.60000110.7R82 T99 V100 L105 L106 D107R82-C103 PolarHBondContact NH1-SG 2.93Å; R82-C103 PolarHBondContact NH2-O 3.05Å; R82-C103 PolarHBondContact NH2-SG 3.44Å; T99-C103 PolarHBondContact O-N 3.34Å; V100-C103 WeakPolarHBondContact O-CA 3.27Å; V100-C103 WeakPolarHBondContact O-CB 3.46Å; V100-C103 PolarHBondContact O-N 3.33Å; C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact O-N 3.05Å; C103-L106 PolarHBondContact O-N 3.35Å; C103-D107 PolarHBondContact O-N 3.42Å
104E88.3Confident89Confident69 Ų6923.8 Ų23.832%0.32213%0.127SC..Hα-helixtrans-64.6-33179.1-64.9171.3142.700112.1V100 D107 H108 Q155V100-E104 HydrophobicContact CG1-CG 4.37Å; V100-E104 PolarHBondContact O-N 3.31Å; E104-D107 PolarHBondContact O-N 2.96Å; E104-H108 VanDerWaalsContact O-CB 3.26Å; E104-H108 WeakPolarHBondContact O-CB 3.37Å; E104-H108 PolarHBondContact O-N 3.04Å; E104-Q155 VanDerWaalsContact C-NE2 3.31Å; E104-Q155 HydrophobicContact CB-CG 4.34Å
105L88.7Confident89.3Confident5 Ų522.1 Ų22.13%0.02612%0.115CC..Hα-helixtrans-67.4-39177.2175.560.9000111.6L91 S101 C103 L109 V143 L144 Y152 Q155L91-L105 HydrophobicContact CD2-CB 3.94Å; L91-L105 HydrophobicContact CD2-CD2 3.74Å; L91-L105 HydrophobicContact CD2-CG 3.56Å; S101-L105 WeakPolarHBondContact O-CB 3.44Å; S101-L105 PolarHBondContact O-N 3.05Å; C103-L105 VanDerWaalsContact C-N 3.3Å; C103-L105 PolarHBondContact O-N 3.05Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 PolarHBondContact O-N 3.43Å; L105-V143 HydrophobicContact CD1-CB 3.98Å; L105-V143 HydrophobicContact CD1-CG1 3.26Å; L105-L144 HydrophobicContact CD2-CD2 4.2Å; L105-Y152 HydrophobicContact CD1-CE2 4.27Å; L105-Y152 HydrophobicContact CD2-CE2 3.57Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.29Å; L105-Q155 VanDerWaalsContact CA-NE2 3.28Å
106L92.9Very high89.7Confident0 Ų020.8 Ų20.80%011%0.108CC..Hα-helixtrans-66.2-45.7172.1177.255000110.8F15 A80 R82 W89 L91 V102 C103 H108 L109 I110F15-L106 HydrophobicContact CD2-CD1 4.36Å; F15-L106 HydrophobicContact CE2-CD1 3.83Å; A80-L106 HydrophobicContact CB-CB 4.18Å; A80-L106 HydrophobicContact CB-CD2 3.96Å; A80-L106 WeakPolarHBondContact O-CD2 3.39Å; R82-L106 HydrophobicContact CB-CD2 4.32Å; R82-L106 HydrophobicContact CG-CD2 3.9Å; R82-L106 HydrophobicContact CG-CG 4.12Å; W89-L106 HydrophobicContact CB-CD1 3.84Å; L91-L106 HydrophobicContact CB-CB 4.09Å; L91-L106 HydrophobicContact CB-CD1 4.16Å; L91-L106 HydrophobicContact CB-CD2 4.32Å; L91-L106 HydrophobicContact CB-CG 4.42Å; L91-L106 HydrophobicContact CD2-CB 3.92Å; V102-L106 PolarHBondContact O-N 2.9Å; C103-L106 PolarHBondContact O-N 3.35Å; L106-H108 VanDerWaalsContact C-N 3.34Å; L106-H108 PolarHBondContact O-N 3.17Å; L106-L109 PolarHBondContact O-N 3.27Å; L106-I110 HydrophobicContact CD1-CD1 3.78Å; L106-I110 HydrophobicContact CD1-CG1 4.1Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.48Å; L106-I110 PolarHBondContact O-N 2.72Å
107D91.8Very high90.2Very high44 Ų4418.2 Ų18.224%0.23510%0.097CC..Hα-helixtrans-59.4-44.9176.1-67.2-35.7000111.5R82 C103 E104 I110 N111R82-D107 IonicContact CZ-OD1 3.59Å; R82-D107 VanDerWaalsContact CZ-OD1 3.32Å; R82-D107 IonicContact CZ-OD2 2.72Å; R82-D107 IonicContact NE-OD1 3.12Å; R82-D107 PolarHBondContact NE-OD1 2.73Å; R82-D107 IonicContact NE-OD2 3.82Å; R82-D107 VanDerWaalsContact NH2-CG 3.29Å; R82-D107 IonicContact NH2-OD1 3.47Å; R82-D107 PolarHBondContact NH2-OD1 3.08Å; R82-D107 IonicContact NH2-OD2 3.54Å; R82-D107 PolarHBondContact NH2-OD2 2.85Å; C103-D107 PolarHBondContact O-N 3.42Å; E104-D107 PolarHBondContact O-N 2.96Å; D107-I110 PolarHBondContact O-N 2.68Å; D107-N111 VanDerWaalsContact O-CB 3.25Å; D107-N111 WeakPolarHBondContact O-CB 3.44Å; D107-N111 PolarHBondContact O-N 2.95Å; D107-N111 PolarHBondContact O-ND2 3.26Å
108H88.8Confident90.5Very high17 Ų1717 Ų178%0.0799%0.091CC..Hα-helixtrans-65.2-43.3178.6-174.481000111.6E104 L106 I110 N111 L112 I208E104-H108 VanDerWaalsContact O-CB 3.26Å; E104-H108 WeakPolarHBondContact O-CB 3.37Å; E104-H108 PolarHBondContact O-N 3.04Å; L106-H108 VanDerWaalsContact C-N 3.34Å; L106-H108 PolarHBondContact O-N 3.17Å; H108-I110 PolarHBondContact O-N 2.67Å; H108-N111 PolarHBondContact O-N 2.89Å; H108-L112 WeakPolarHBondContact O-CB 3.32Å; H108-L112 PolarHBondContact O-N 3.34Å; H108-I208 WeakPolarHBondContact CE1-CG2 3.34Å; H108-I208 WeakPolarHBondContact NE2-CG2 3.48Å
109L91.7Very high90.8Very high2 Ų217.5 Ų17.51%0.0110%0.095CC..Hα-helixtrans-62.2-41.4177.8-179.658.1000112.2F15 L105 L106 F113 W136 L140F15-L109 HydrophobicContact CD1-CD2 4.15Å; F15-L109 HydrophobicContact CD2-CD2 3.73Å; F15-L109 HydrophobicContact CE1-CD2 3.97Å; F15-L109 HydrophobicContact CE2-CD2 3.55Å; F15-L109 HydrophobicContact CE2-CG 4.36Å; F15-L109 HydrophobicContact CG-CD2 4.02Å; F15-L109 HydrophobicContact CZ-CD2 3.67Å; F15-L109 HydrophobicContact CZ-CG 4.19Å; L105-L109 WeakPolarHBondContact O-CB 3.46Å; L105-L109 PolarHBondContact O-N 3.43Å; L106-L109 PolarHBondContact O-N 3.27Å; L109-F113 PolarHBondContact O-N 3.05Å; L109-F113 VanDerWaalsContact O-N 3.11Å; L109-W136 HydrophobicContact CD1-CE3 4.08Å; L109-W136 HydrophobicContact CD1-CZ3 4.17Å; L109-W136 HydrophobicContact CG-CE3 4.25Å; L109-W136 HydrophobicContact CG-CZ3 3.98Å; L109-L140 HydrophobicContact CD1-CD2 4.48Å; L109-L140 HydrophobicContact CD1-CG 4.41Å; L109-L140 HydrophobicContact CD2-CD2 3.59Å; L109-L140 HydrophobicContact CD2-CG 4.22Å
110I93Very high90.9Very high23 Ų2316.1 Ų16.112%0.1189%0.086CC..Hα-helixtrans-65.4-50.4173.5-65.4165.8000110.4R82 W89 L106 D107 H108 L112 F113 C114R82-I110 HydrophobicContact CB-CD1 4.02Å; R82-I110 HydrophobicContact CG-CD1 4.05Å; W89-I110 HydrophobicContact CB-CD1 4.05Å; W89-I110 HydrophobicContact CD2-CD1 3.8Å; W89-I110 HydrophobicContact CD2-CG1 4.24Å; W89-I110 HydrophobicContact CE3-CD1 4.28Å; W89-I110 HydrophobicContact CG-CD1 3.71Å; W89-I110 HydrophobicContact CG-CG1 4Å; L106-I110 HydrophobicContact CD1-CD1 3.78Å; L106-I110 HydrophobicContact CD1-CG1 4.1Å; L106-I110 HydrophobicContact CG-CD1 3.96Å; L106-I110 VanDerWaalsContact O-CG1 3.3Å; L106-I110 WeakPolarHBondContact O-CG1 3.48Å; L106-I110 PolarHBondContact O-N 2.72Å; D107-I110 PolarHBondContact O-N 2.68Å; H108-I110 PolarHBondContact O-N 2.67Å; I110-L112 PolarHBondContact O-N 2.98Å; I110-F113 PolarHBondContact O-N 2.94Å; I110-C114 PolarHBondContact O-N 2.88Å; I110-C114 PolarHBondContact O-SG 2.89Å; I110-C114 VanDerWaalsContact O-SG 3.33Å
111N91.7Very high91.1Very high54 Ų5419.4 Ų19.429%0.28910%0.098SC..Hα-helixtrans-62.4-31.3-179.6-81.1-61.2000112.9D107 H108 F115 K209D107-N111 VanDerWaalsContact O-CB 3.25Å; D107-N111 WeakPolarHBondContact O-CB 3.44Å; D107-N111 PolarHBondContact O-N 2.95Å; D107-N111 PolarHBondContact O-ND2 3.26Å; H108-N111 PolarHBondContact O-N 2.89Å; N111-F115 VanDerWaalsContact O-CB 3.27Å; N111-F115 WeakPolarHBondContact O-CB 3.13Å; N111-F115 PolarHBondContact O-N 2.71Å; N111-K209 VanDerWaalsContact O-CE 3.32Å; N111-K209 WeakPolarHBondContact O-CE 3.2Å
112L91.9Very high91.2Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-70.6-46.7175170.153.4000111.5H108 I110 C114 F115 Y116 Y139 V143 V212H108-L112 WeakPolarHBondContact O-CB 3.32Å; H108-L112 PolarHBondContact O-N 3.34Å; I110-L112 PolarHBondContact O-N 2.98Å; L112-C114 VanDerWaalsContact C-N 3.33Å; L112-C114 PolarHBondContact O-N 2.88Å; L112-F115 PolarHBondContact O-N 2.78Å; L112-Y116 HydrophobicContact CD1-CD2 3.58Å; L112-Y116 HydrophobicContact CD1-CE2 3.56Å; L112-Y116 PolarHBondContact O-N 3.3Å; L112-Y139 HydrophobicContact CD1-CD1 4.36Å; L112-Y139 HydrophobicContact CD2-CD1 4.01Å; L112-Y139 HydrophobicContact CD2-CG 3.94Å; L112-Y139 HydrophobicContact CG-CD1 3.99Å; L112-Y139 HydrophobicContact CG-CD2 4.36Å; L112-Y139 HydrophobicContact CG-CG 3.91Å; L112-V143 HydrophobicContact CD2-CG2 3.83Å; L112-V212 HydrophobicContact CD1-CG2 3.61Å; L112-V212 HydrophobicContact CD2-CG2 3.86Å; L112-V212 HydrophobicContact CG-CG2 4.41Å
113F92.9Very high91.3Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-57.3-49.2173.1179.6-79.9000111L109 I110 F115 Y116 N117 V120 S123 Y124 L132 W136 Y139L109-F113 PolarHBondContact O-N 3.05Å; L109-F113 VanDerWaalsContact O-N 3.11Å; I110-F113 PolarHBondContact O-N 2.94Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.35Å; F113-Y116 PolarHBondContact O-N 3.11Å; F113-N117 HydrophobicContact CD1-CB 4.07Å; F113-N117 HydrophobicContact CE1-CB 3.66Å; F113-N117 HydrophobicContact CE2-CB 4.31Å; F113-N117 HydrophobicContact CZ-CB 3.8Å; F113-N117 WeakPolarHBondContact O-CB 3.37Å; F113-N117 PolarHBondContact O-N 3.02Å; F113-N117 PolarHBondContact O-ND2 2.52Å; F113-V120 HydrophobicContact CD1-CG2 3.79Å; F113-V120 HydrophobicContact CE1-CB 4.37Å; F113-V120 HydrophobicContact CE1-CG2 3.82Å; F113-S123 WeakPolarHBondContact CE1-OG 3.3Å; F113-Y124 HydrophobicContact CZ-CE2 4.42Å; F113-L132 HydrophobicContact CE2-CD2 4.05Å; F113-L132 HydrophobicContact CZ-CD1 4.48Å; F113-L132 HydrophobicContact CZ-CD2 3.97Å; F113-W136 HydrophobicContact CB-CE3 4.23Å; F113-W136 HydrophobicContact CB-CH2 3.37Å; F113-W136 HydrophobicContact CB-CZ2 3.99Å; F113-W136 HydrophobicContact CB-CZ3 3.51Å; F113-W136 HydrophobicContact CD1-CH2 4.16Å; F113-W136 HydrophobicContact CD1-CZ2 4.06Å; F113-W136 AromaticContact CD2-CD2 3.72Å; F113-W136 HydrophobicContact CD2-CD2 3.72Å; F113-W136 AromaticContact CD2-CE2 3.35Å; F113-W136 AromaticContact CD2-CE3 4Å; F113-W136 HydrophobicContact CD2-CE3 4Å; F113-W136 HydrophobicContact CD2-CG 4.44Å; F113-W136 AromaticContact CD2-CH2 3.63Å; F113-W136 HydrophobicContact CD2-CH2 3.63Å; F113-W136 AromaticContact CD2-CZ2 3.31Å; F113-W136 HydrophobicContact CD2-CZ2 3.31Å; F113-W136 AromaticContact CD2-CZ3 3.95Å; F113-W136 HydrophobicContact CD2-CZ3 3.95Å; F113-W136 AromaticContact CD2-NE1 3.88Å; F113-W136 HydrophobicContact CE1-CZ2 4.42Å; F113-W136 HydrophobicContact CE2-CD2 4.24Å; F113-W136 AromaticContact CE2-CE2 3.59Å; F113-W136 HydrophobicContact CE2-CH2 4.47Å; F113-W136 AromaticContact CE2-CZ2 3.73Å; F113-W136 HydrophobicContact CE2-CZ2 3.73Å; F113-W136 AromaticContact CE2-NE1 3.63Å; F113-W136 HydrophobicContact CG-CE3 4.45Å; F113-W136 AromaticContact CG-CH2 3.44Å; F113-W136 HydrophobicContact CG-CH2 3.44Å; F113-W136 VanDerWaalsContact CG-CH2 3.44Å; F113-W136 AromaticContact CG-CZ2 3.5Å; F113-W136 HydrophobicContact CG-CZ2 3.5Å; F113-W136 AromaticContact CG-CZ3 3.94Å; F113-W136 HydrophobicContact CG-CZ3 3.94Å; F113-W136 HydrophobicContact CZ-CZ2 4.27Å; F113-Y139 HydrophobicContact CB-CD2 4.13Å; F113-Y139 HydrophobicContact CB-CE2 4.06Å; F113-Y139 HydrophobicContact CD2-CD2 4.24Å; F113-Y139 AromaticContact CD2-CE2 3.83Å; F113-Y139 HydrophobicContact CD2-CE2 3.83Å; F113-Y139 HydrophobicContact CG-CE2 4.31Å
114C93.3Very high91.3Very high24 Ų2425.7 Ų25.716%0.16213%0.125CC..Hα-helixtrans-61.1-36.3179.9-66.50000112.6I110 L112 Y116 G118 F243 L447I110-C114 PolarHBondContact O-N 2.88Å; I110-C114 PolarHBondContact O-SG 2.89Å; I110-C114 VanDerWaalsContact O-SG 3.33Å; L112-C114 VanDerWaalsContact C-N 3.33Å; L112-C114 PolarHBondContact O-N 2.88Å; C114-Y116 VanDerWaalsContact C-N 3.33Å; C114-Y116 PolarHBondContact O-N 3.41Å; C114-G118 WeakPolarHBondContact CA-O 3.22Å; C114-G118 WeakPolarHBondContact O-CA 3.22Å; C114-G118 PolarHBondContact O-N 2.88Å; C114-F243 WeakPolarHBondContact O-CB 3.48Å; C114-L447 HydrophobicContact CB-CD1 4.27Å
115F93.3Very high91.4Very high1 Ų129.2 Ų29.20%0.00414%0.141CC..Hα-helixtrans-64.8-31.3178.6175.1-101.5000113.6N111 L112 F113 L206 K209 V210 V242 F243 L244N111-F115 VanDerWaalsContact O-CB 3.27Å; N111-F115 WeakPolarHBondContact O-CB 3.13Å; N111-F115 PolarHBondContact O-N 2.71Å; L112-F115 PolarHBondContact O-N 2.78Å; F113-F115 VanDerWaalsContact C-N 3.28Å; F113-F115 PolarHBondContact O-N 3.35Å; F115-L206 HydrophobicContact CD2-CD1 4.07Å; F115-L206 HydrophobicContact CE2-CD1 3.58Å; F115-L206 HydrophobicContact CZ-CD1 4.23Å; F115-K209 HydrophobicContact CB-CD 3.81Å; F115-K209 HydrophobicContact CB-CG 4.32Å; F115-K209 HydrophobicContact CD1-CB 3.8Å; F115-K209 HydrophobicContact CD1-CD 4.34Å; F115-K209 HydrophobicContact CD1-CG 4.38Å; F115-K209 HydrophobicContact CD2-CD 3.84Å; F115-K209 HydrophobicContact CE1-CB 3.97Å; F115-K209 HydrophobicContact CG-CB 4.07Å; F115-K209 HydrophobicContact CG-CD 3.74Å; F115-K209 HydrophobicContact CG-CG 4.24Å; F115-K209 HydrophobicContact CZ-CB 4.41Å; F115-V210 HydrophobicContact CE1-CG2 4.38Å; F115-V210 HydrophobicContact CZ-CG2 3.97Å; F115-V242 HydrophobicContact CD1-CB 4.45Å; F115-V242 HydrophobicContact CD1-CG1 4.24Å; F115-V242 HydrophobicContact CD2-CB 4.31Å; F115-V242 HydrophobicContact CE1-CB 4.06Å; F115-V242 HydrophobicContact CE1-CG1 3.67Å; F115-V242 HydrophobicContact CE2-CB 3.88Å; F115-V242 HydrophobicContact CE2-CG1 4.37Å; F115-V242 HydrophobicContact CE2-CG2 4.11Å; F115-V242 HydrophobicContact CZ-CB 3.75Å; F115-V242 HydrophobicContact CZ-CG1 3.74Å; F115-V242 HydrophobicContact CZ-CG2 4.03Å; F115-V242 CarbonylContact O-C 3.55Å; F115-V242 WeakPolarHBondContact O-CA 3.38Å; F115-V242 WeakPolarHBondContact O-CB 3.32Å; F115-F243 WeakPolarHBondContact CA-O 3.33Å; F115-F243 VanDerWaalsContact CD2-O 3.28Å; F115-F243 WeakPolarHBondContact CD2-O 3.37Å; F115-F243 PolarHBondContact O-N 3.43Å; F115-L244 HydrophobicContact CD2-CD2 4.15Å; F115-L244 HydrophobicContact CE2-CD2 3.83Å
116Y92Very high91.5Very high21 Ų2135.8 Ų35.88%0.08218%0.176CC..Hα-helixtrans-99.3-26.8177.7-76.6-67.5000114.3L112 F113 C114 Y139 K209 V212 H213 T240 V242 L452L112-Y116 HydrophobicContact CD1-CD2 3.58Å; L112-Y116 HydrophobicContact CD1-CE2 3.56Å; L112-Y116 PolarHBondContact O-N 3.3Å; F113-Y116 PolarHBondContact O-N 3.11Å; C114-Y116 VanDerWaalsContact C-N 3.33Å; C114-Y116 PolarHBondContact O-N 3.41Å; Y116-Y139 WeakPolarHBondContact CB-OH 3.49Å; Y116-Y139 HydrophobicContact CD2-CE1 4.2Å; Y116-K209 PolarHBondContact OH-O 3.01Å; Y116-V212 HydrophobicContact CE2-CB 4.17Å; Y116-V212 HydrophobicContact CE2-CG2 4.4Å; Y116-H213 AromaticContact CD1-NE2 3.96Å; Y116-H213 AromaticContact CE1-CD2 3.82Å; Y116-H213 AromaticContact CE1-NE2 3.28Å; Y116-H213 VanDerWaalsContact CE1-NE2 3.28Å; Y116-H213 WeakPolarHBondContact CE1-NE2 3.16Å; Y116-H213 AromaticContact CZ-CD2 3.74Å; Y116-H213 AromaticContact CZ-NE2 3.54Å; Y116-H213 PolarHBondContact OH-CD2 3.18Å; Y116-T240 HydrophobicContact CD1-CG2 4.11Å; Y116-T240 HydrophobicContact CE1-CG2 4.1Å; Y116-V242 HydrophobicContact CD1-CG1 3.81Å; Y116-V242 HydrophobicContact CE1-CG1 3.72Å; Y116-L452 HydrophobicContact CE1-CD2 4.37Å
117N91.6Very high91.4Very high34 Ų3439.4 Ų39.418%0.18220%0.195CC..Hα-helixtrans-117.3-5.8-168.5-57.2-92.7000114.6F113 S123 Y139F113-N117 HydrophobicContact CD1-CB 4.07Å; F113-N117 HydrophobicContact CE1-CB 3.66Å; F113-N117 HydrophobicContact CE2-CB 4.31Å; F113-N117 HydrophobicContact CZ-CB 3.8Å; F113-N117 WeakPolarHBondContact O-CB 3.37Å; F113-N117 PolarHBondContact O-N 3.02Å; F113-N117 PolarHBondContact O-ND2 2.52Å; N117-S123 PolarHBondContact O-OG 3.31Å; N117-Y139 PolarHBondContact ND2-OH 2.95Å
118G90.8Very high91.4Very high3 Ų340 Ų403%0.03120%0.203CC..  trans79.5-152.8-175.600000113.1C114 V120 F243C114-G118 WeakPolarHBondContact CA-O 3.22Å; C114-G118 WeakPolarHBondContact O-CA 3.22Å; C114-G118 PolarHBondContact O-N 2.88Å; G118-V120 PolarHBondContact O-N 3.49Å; G118-F243 VanDerWaalsContact N-CD2 3.28Å
119S91.1Very high91.5Very high13 Ų1344.5 Ų44.59%0.09122%0.222CC..  trans-66.2130177.3165.40000110.5R121 Q122 S123 E444S119-R121 PolarHBondContact O-N 3.27Å; S119-R121 VanDerWaalsContact O-N 3.11Å; S119-R121 PolarHBondContact OG-N 3.28Å; S119-Q122 CarbonylContact O-C 3.5Å; S119-Q122 WeakPolarHBondContact O-CA 3.35Å; S119-Q122 WeakPolarHBondContact O-CB 3.32Å; S119-Q122 PolarHBondContact O-N 2.94Å; S119-S123 PolarHBondContact O-N 2.74Å; S119-S123 PolarHBondContact O-OG 2.89Å; S119-E444 VanDerWaalsContact CB-OE1 3.22Å; S119-E444 WeakPolarHBondContact CB-OE1 3.43Å; S119-E444 PolarHBondContact OG-OE1 3.32Å
120V91.2Very high91.4Very high9 Ų951.9 Ų51.96%0.05526%0.256CS..Hα-helixtrans-49.9-39.4177.5-179.90000112.4L17 F87 W89 F113 G118 Q122 S123 Y124L17-V120 HydrophobicContact CD2-CG1 3.75Å; F87-V120 HydrophobicContact CE1-CG1 4.28Å; F87-V120 HydrophobicContact CZ-CG1 4.31Å; W89-V120 HydrophobicContact CZ2-CG1 4.43Å; W89-V120 HydrophobicContact CZ2-CG2 4.13Å; F113-V120 HydrophobicContact CD1-CG2 3.79Å; F113-V120 HydrophobicContact CE1-CB 4.37Å; F113-V120 HydrophobicContact CE1-CG2 3.82Å; G118-V120 PolarHBondContact O-N 3.49Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 3.38Å; V120-S123 PolarHBondContact O-N 2.86Å; V120-Y124 HydrophobicContact CG1-CD2 3.88Å; V120-Y124 HydrophobicContact CG1-CE2 4.04Å; V120-Y124 WeakPolarHBondContact O-CD2 3.31Å; V120-Y124 PolarHBondContact O-N 3.02Å; V120-Y124 VanDerWaalsContact O-N 3.17Å
121R90.8Very high91.4Very high75 Ų7553.8 Ų53.828%0.28327%0.269SS..Hα-helixtrans-65-39.8177.9-163179.9-67-91.413.2111.9D86 F87 S119 Q125D86-R121 IonicContact OD2-CZ 3.55Å; D86-R121 IonicContact OD2-NH1 3.96Å; D86-R121 IonicContact OD2-NH2 2.73Å; D86-R121 PolarHBondContact OD2-NH2 3.38Å; F87-R121 HydrophobicContact CE2-CB 3.97Å; F87-R121 HydrophobicContact CE2-CG 4.35Å; F87-R121 HydrophobicContact CZ-CB 4.15Å; F87-R121 HydrophobicContact CZ-CG 4.33Å; S119-R121 PolarHBondContact O-N 3.27Å; S119-R121 VanDerWaalsContact O-N 3.11Å; S119-R121 PolarHBondContact OG-N 3.28Å; R121-Q125 VanDerWaalsContact O-CG 3.23Å; R121-Q125 WeakPolarHBondContact O-CG 3.37Å; R121-Q125 PolarHBondContact O-N 3.4Å
122Q89.8Confident91.4Very high106 Ų10651.2 Ų51.250%0.49526%0.256SS..Hα-helixtrans-74.6-40.8178.3-61.6175.90.100111.3S119 V120 Y124 Q125 L126S119-Q122 CarbonylContact O-C 3.5Å; S119-Q122 WeakPolarHBondContact O-CA 3.35Å; S119-Q122 WeakPolarHBondContact O-CB 3.32Å; S119-Q122 PolarHBondContact O-N 2.94Å; V120-Q122 VanDerWaalsContact C-N 3.35Å; V120-Q122 PolarHBondContact O-N 3.38Å; Q122-Y124 VanDerWaalsContact C-N 3.34Å; Q122-Y124 PolarHBondContact O-N 2.91Å; Q122-Q125 WeakPolarHBondContact O-CB 3.43Å; Q122-Q125 PolarHBondContact O-N 2.9Å; Q122-L126 WeakPolarHBondContact O-CG 3.48Å; Q122-L126 PolarHBondContact O-N 2.59Å
123S91.4Very high91.4Very high1 Ų152 Ų521%0.00726%0.262CS..Hα-helixtrans-57.5-46.1178.1-41.70000111.3F113 N117 S119 V120 Q125 L126 N127F113-S123 WeakPolarHBondContact CE1-OG 3.3Å; N117-S123 PolarHBondContact O-OG 3.31Å; S119-S123 PolarHBondContact O-N 2.74Å; S119-S123 PolarHBondContact O-OG 2.89Å; V120-S123 PolarHBondContact O-N 2.86Å; S123-Q125 VanDerWaalsContact C-N 3.29Å; S123-Q125 PolarHBondContact O-N 3.11Å; S123-L126 PolarHBondContact O-N 2.83Å; S123-N127 WeakPolarHBondContact O-CB 3.45Å; S123-N127 PolarHBondContact O-N 2.94Å; S123-N127 PolarHBondContact O-ND2 2.68Å
124Y90.6Very high91.3Very high39 Ų3955.9 Ų55.915%0.15329%0.286CS..Hα-helixtrans-76.4-6.2177.3-82.9-83000114.6L17 C35 F113 V120 Q122 L132 W136L17-Y124 HydrophobicContact CD2-CE2 3.73Å; C35-Y124 HydrophobicContact CB-CD1 4.46Å; C35-Y124 HydrophobicContact CB-CE1 3.85Å; C35-Y124 HydrophobicContact CB-CE2 4.35Å; C35-Y124 PolarHBondContact O-OH 3.02Å; F113-Y124 HydrophobicContact CZ-CE2 4.42Å; V120-Y124 HydrophobicContact CG1-CD2 3.88Å; V120-Y124 HydrophobicContact CG1-CE2 4.04Å; V120-Y124 WeakPolarHBondContact O-CD2 3.31Å; V120-Y124 PolarHBondContact O-N 3.02Å; V120-Y124 VanDerWaalsContact O-N 3.17Å; Q122-Y124 VanDerWaalsContact C-N 3.34Å; Q122-Y124 PolarHBondContact O-N 2.91Å; Y124-L132 HydrophobicContact CD1-CD1 3.55Å; Y124-L132 HydrophobicContact CD2-CD1 3.76Å; Y124-L132 HydrophobicContact CE1-CB 4.28Å; Y124-L132 HydrophobicContact CE1-CD1 3.69Å; Y124-L132 HydrophobicContact CE2-CD1 3.89Å; Y124-L132 HydrophobicContact CG-CD1 3.59Å; Y124-W136 AromaticContact CZ-NE1 3.99Å; Y124-W136 PolarHBondContact OH-NE1 3.48Å
125Q90.6Very high91.1Very high143 Ų14356.6 Ų56.667%0.66829%0.287SS*.Hα-helixtrans-91-30.2168.4-76169.1-10.600112.2R121 Q122 S123R121-Q125 VanDerWaalsContact O-CG 3.23Å; R121-Q125 WeakPolarHBondContact O-CG 3.37Å; R121-Q125 PolarHBondContact O-N 3.4Å; Q122-Q125 WeakPolarHBondContact O-CB 3.43Å; Q122-Q125 PolarHBondContact O-N 2.9Å; S123-Q125 VanDerWaalsContact C-N 3.29Å; S123-Q125 PolarHBondContact O-N 3.11Å
126L90Very high91.1Very high142 Ų14256.5 Ų56.574%0.74329%0.286SS*.Hα-helixtrans-96.4-22.6-175.4-64.5172.9000113.9Q122 S123Q122-L126 WeakPolarHBondContact O-CG 3.48Å; Q122-L126 PolarHBondContact O-N 2.59Å; S123-L126 PolarHBondContact O-N 2.83Å
127N91.6Very high91Very high77 Ų7757.2 Ų57.241%0.41230%0.297SS..SBendtrans-124.7158.3-174.1-58.2-87.4000111.6S123 L132S123-N127 WeakPolarHBondContact O-CB 3.45Å; S123-N127 PolarHBondContact O-N 2.94Å; S123-N127 PolarHBondContact O-ND2 2.68Å; N127-L132 HydrophobicContact CB-CD1 4.11Å; N127-L132 HydrophobicContact CB-CD2 4.04Å; N127-L132 HydrophobicContact CB-CG 3.91Å
128S91.9Very high90.8Very high57 Ų5758.6 Ų58.640%0.39930%0.299SS..  trans-74.4156.6174.277.70000111.7E130 T131 L132S128-E130 PolarHBondContact O-N 2.84Å; S128-E130 PolarHBondContact OG-N 3.46Å; S128-T131 PolarHBondContact O-N 2.82Å; S128-T131 PolarHBondContact O-OG1 2.88Å; S128-T131 PolarHBondContact OG-N 3.46Å; S128-L132 WeakPolarHBondContact O-CG 3.2Å; S128-L132 PolarHBondContact O-N 2.69Å
129K90.5Very high90.7Very high111 Ų11158.5 Ų58.548%0.48330%0.298SS..Hα-helixtrans-58-31.8172.9177.2170169.8177.90112.2I34 C35 A133I34-K129 WeakPolarHBondContact O-CE 3.49Å; I34-K129 PolarHBondContact O-NZ 3.31Å; C35-K129 WeakPolarHBondContact O-CE 3.29Å; C35-K129 WeakPolarHBondContact O-CG 3.24Å; K129-A133 VanDerWaalsContact O-CB 3.26Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 2.69Å
130E90.4Very high90.5Very high156 Ų15658.2 Ų58.273%0.72930%0.295SS*.Hα-helixtrans-71.9-45-178.4-65168.8-178.400112.6S128 A133 T134S128-E130 PolarHBondContact O-N 2.84Å; S128-E130 PolarHBondContact OG-N 3.46Å; E130-A133 WeakPolarHBondContact O-CB 3.45Å; E130-A133 PolarHBondContact O-N 3.01Å; E130-T134 PolarHBondContact O-N 3.29Å
131T91.1Very high90.2Very high63 Ų6360.3 Ų60.339%0.38731%0.31SS..Hα-helixtrans-64.7-46177.355.90000110.2S128 A133 T134 E135S128-T131 PolarHBondContact O-N 2.82Å; S128-T131 PolarHBondContact O-OG1 2.88Å; S128-T131 PolarHBondContact OG-N 3.46Å; T131-A133 VanDerWaalsContact C-N 3.29Å; T131-A133 PolarHBondContact O-N 3.43Å; T131-T134 PolarHBondContact O-N 3.27Å; T131-T134 PolarHBondContact O-OG1 3.14Å; T131-E135 PolarHBondContact O-N 3.26Å
132L92.9Very high89.8Confident1 Ų157 Ų571%0.00530%0.298CS..Hα-helixtrans-64.1-30176.5-61.7179.6000113.2F113 Y124 N127 S128 E135 W136F113-L132 HydrophobicContact CE2-CD2 4.05Å; F113-L132 HydrophobicContact CZ-CD1 4.48Å; F113-L132 HydrophobicContact CZ-CD2 3.97Å; Y124-L132 HydrophobicContact CD1-CD1 3.55Å; Y124-L132 HydrophobicContact CD2-CD1 3.76Å; Y124-L132 HydrophobicContact CE1-CB 4.28Å; Y124-L132 HydrophobicContact CE1-CD1 3.69Å; Y124-L132 HydrophobicContact CE2-CD1 3.89Å; Y124-L132 HydrophobicContact CG-CD1 3.59Å; N127-L132 HydrophobicContact CB-CD1 4.11Å; N127-L132 HydrophobicContact CB-CD2 4.04Å; N127-L132 HydrophobicContact CB-CG 3.91Å; S128-L132 WeakPolarHBondContact O-CG 3.2Å; S128-L132 PolarHBondContact O-N 2.69Å; L132-E135 HydrophobicContact CD2-CG 4.5Å; L132-E135 WeakPolarHBondContact O-CB 3.26Å; L132-E135 PolarHBondContact O-N 3.34Å; L132-W136 PolarHBondContact O-N 3.21Å
133A91.7Very high89.4Confident15 Ų1553.2 Ų53.212%0.12428%0.282CS..Hα-helixtrans-62-43.7170.200000111.5Y36 K129 E130 T131 E135 W136 A137Y36-A133 HydrophobicContact CD2-CB 3.73Å; Y36-A133 HydrophobicContact CE2-CB 3.61Å; K129-A133 VanDerWaalsContact O-CB 3.26Å; K129-A133 WeakPolarHBondContact O-CB 3.36Å; K129-A133 PolarHBondContact O-N 2.69Å; E130-A133 WeakPolarHBondContact O-CB 3.45Å; E130-A133 PolarHBondContact O-N 3.01Å; T131-A133 VanDerWaalsContact C-N 3.29Å; T131-A133 PolarHBondContact O-N 3.43Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 2.69Å; A133-W136 PolarHBondContact O-N 2.68Å; A133-A137 WeakPolarHBondContact O-CB 3.03Å; A133-A137 PolarHBondContact O-N 3.04Å
134T90.5Very high88.7Confident82 Ų8254.4 Ų54.450%0.50329%0.288SS..Hα-helixtrans-66.6-32.3174.870.50000113.1E130 T131 R138E130-T134 PolarHBondContact O-N 3.29Å; T131-T134 PolarHBondContact O-N 3.27Å; T131-T134 PolarHBondContact O-OG1 3.14Å; T134-R138 WeakPolarHBondContact O-CB 3.17Å; T134-R138 PolarHBondContact O-N 3.47Å
135E90.5Very high87.8Confident39 Ų3955.3 Ų55.318%0.18230%0.3CS..Hα-helixtrans-62.8-52170.9-64.6-57.311700111.1T131 L132 A133 A137 R138 Y139T131-E135 PolarHBondContact O-N 3.26Å; L132-E135 HydrophobicContact CD2-CG 4.5Å; L132-E135 WeakPolarHBondContact O-CB 3.26Å; L132-E135 PolarHBondContact O-N 3.34Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 2.69Å; E135-A137 PolarHBondContact O-N 3.37Å; E135-R138 WeakPolarHBondContact O-CB 3.31Å; E135-R138 PolarHBondContact O-N 2.64Å; E135-R138 VanDerWaalsContact O-N 3.11Å; E135-R138 IonicContact OE1-CZ 3.35Å; E135-R138 IonicContact OE1-NH1 2.82Å; E135-R138 PolarHBondContact OE1-NH1 3.42Å; E135-R138 IonicContact OE1-NH2 2.88Å; E135-R138 PolarHBondContact OE1-NH2 2.9Å; E135-R138 IonicContact OE2-CZ 2.78Å; E135-R138 IonicContact OE2-NH1 3.46Å; E135-R138 PolarHBondContact OE2-NH1 3.45Å; E135-R138 IonicContact OE2-NH2 3.66Å; E135-Y139 HydrophobicContact CB-CE2 3.87Å; E135-Y139 VanDerWaalsContact O-CD2 3.31Å; E135-Y139 WeakPolarHBondContact O-CD2 3.42Å; E135-Y139 PolarHBondContact O-N 2.9Å; E135-Y139 PolarHBondContact OE2-OH 3.34Å
136W92Very high86.6Confident0 Ų049.6 Ų49.60%028%0.279CS..Hα-helixtrans-59.9-42.9177.7-74.2119.4000112.5F15 L17 Y36 L109 F113 Y124 L132 A133 R138 Y139 L140F15-W136 AromaticContact CE1-CD2 3.99Å; F15-W136 HydrophobicContact CE1-CD2 3.99Å; F15-W136 AromaticContact CE1-CE3 3.72Å; F15-W136 HydrophobicContact CE1-CE3 3.72Å; F15-W136 HydrophobicContact CE1-CG 4.44Å; F15-W136 HydrophobicContact CE1-CZ3 4.16Å; F15-W136 HydrophobicContact CZ-CD2 4.4Å; F15-W136 AromaticContact CZ-CE3 3.87Å; F15-W136 HydrophobicContact CZ-CE3 3.87Å; F15-W136 HydrophobicContact CZ-CH2 4.28Å; F15-W136 AromaticContact CZ-CZ3 3.82Å; F15-W136 HydrophobicContact CZ-CZ3 3.82Å; L17-W136 HydrophobicContact CD2-CZ2 3.9Å; Y36-W136 HydrophobicContact CD1-CB 3.68Å; Y36-W136 AromaticContact CD1-CD1 3.94Å; Y36-W136 AromaticContact CD1-CG 3.82Å; Y36-W136 HydrophobicContact CD1-CG 3.82Å; Y36-W136 HydrophobicContact CD2-CB 4.38Å; Y36-W136 HydrophobicContact CE1-CB 3.51Å; Y36-W136 HydrophobicContact CE1-CG 4.19Å; Y36-W136 HydrophobicContact CE2-CB 4.27Å; Y36-W136 HydrophobicContact CG-CB 4.11Å; Y36-W136 AromaticContact CG-CD1 3.7Å; Y36-W136 HydrophobicContact CG-CG 4.05Å; L109-W136 HydrophobicContact CD1-CE3 4.08Å; L109-W136 HydrophobicContact CD1-CZ3 4.17Å; L109-W136 HydrophobicContact CG-CE3 4.25Å; L109-W136 HydrophobicContact CG-CZ3 3.98Å; F113-W136 HydrophobicContact CB-CE3 4.23Å; F113-W136 HydrophobicContact CB-CH2 3.37Å; F113-W136 HydrophobicContact CB-CZ2 3.99Å; F113-W136 HydrophobicContact CB-CZ3 3.51Å; F113-W136 HydrophobicContact CD1-CH2 4.16Å; F113-W136 HydrophobicContact CD1-CZ2 4.06Å; F113-W136 AromaticContact CD2-CD2 3.72Å; F113-W136 HydrophobicContact CD2-CD2 3.72Å; F113-W136 AromaticContact CD2-CE2 3.35Å; F113-W136 AromaticContact CD2-CE3 4Å; F113-W136 HydrophobicContact CD2-CE3 4Å; F113-W136 HydrophobicContact CD2-CG 4.44Å; F113-W136 AromaticContact CD2-CH2 3.63Å; F113-W136 HydrophobicContact CD2-CH2 3.63Å; F113-W136 AromaticContact CD2-CZ2 3.31Å; F113-W136 HydrophobicContact CD2-CZ2 3.31Å; F113-W136 AromaticContact CD2-CZ3 3.95Å; F113-W136 HydrophobicContact CD2-CZ3 3.95Å; F113-W136 AromaticContact CD2-NE1 3.88Å; F113-W136 HydrophobicContact CE1-CZ2 4.42Å; F113-W136 HydrophobicContact CE2-CD2 4.24Å; F113-W136 AromaticContact CE2-CE2 3.59Å; F113-W136 HydrophobicContact CE2-CH2 4.47Å; F113-W136 AromaticContact CE2-CZ2 3.73Å; F113-W136 HydrophobicContact CE2-CZ2 3.73Å; F113-W136 AromaticContact CE2-NE1 3.63Å; F113-W136 HydrophobicContact CG-CE3 4.45Å; F113-W136 AromaticContact CG-CH2 3.44Å; F113-W136 HydrophobicContact CG-CH2 3.44Å; F113-W136 VanDerWaalsContact CG-CH2 3.44Å; F113-W136 AromaticContact CG-CZ2 3.5Å; F113-W136 HydrophobicContact CG-CZ2 3.5Å; F113-W136 AromaticContact CG-CZ3 3.94Å; F113-W136 HydrophobicContact CG-CZ3 3.94Å; F113-W136 HydrophobicContact CZ-CZ2 4.27Å; Y124-W136 AromaticContact CZ-NE1 3.99Å; Y124-W136 PolarHBondContact OH-NE1 3.48Å; L132-W136 PolarHBondContact O-N 3.21Å; A133-W136 PolarHBondContact O-N 2.68Å; W136-R138 VanDerWaalsContact C-N 3.28Å; W136-R138 PolarHBondContact O-N 3.47Å; W136-Y139 HydrophobicContact CE3-CD2 4.42Å; W136-Y139 PolarHBondContact O-N 2.67Å; W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 WeakPolarHBondContact O-CG 3.2Å; W136-L140 PolarHBondContact O-N 3.01Å
137A89.4Confident85.3Confident36 Ų3645.5 Ų45.530%0.29826%0.262SS..Hα-helixtrans-60.7-37.5175.600000111.9A133 E135 S141A133-A137 WeakPolarHBondContact O-CB 3.03Å; A133-A137 PolarHBondContact O-N 3.04Å; E135-A137 PolarHBondContact O-N 3.37Å; A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.38Å; A137-S141 PolarHBondContact O-N 2.95Å
138R87.1Confident84.4Confident62 Ų6242.4 Ų42.423%0.23425%0.246CC..Hα-helixtrans-68.4-43174.9-157.7-172.4-53.1114.29.7112.5T134 E135 W136 S141 H142 E216T134-R138 WeakPolarHBondContact O-CB 3.17Å; T134-R138 PolarHBondContact O-N 3.47Å; E135-R138 WeakPolarHBondContact O-CB 3.31Å; E135-R138 PolarHBondContact O-N 2.64Å; E135-R138 VanDerWaalsContact O-N 3.11Å; E135-R138 IonicContact OE1-CZ 3.35Å; E135-R138 IonicContact OE1-NH1 2.82Å; E135-R138 PolarHBondContact OE1-NH1 3.42Å; E135-R138 IonicContact OE1-NH2 2.88Å; E135-R138 PolarHBondContact OE1-NH2 2.9Å; E135-R138 IonicContact OE2-CZ 2.78Å; E135-R138 IonicContact OE2-NH1 3.46Å; E135-R138 PolarHBondContact OE2-NH1 3.45Å; E135-R138 IonicContact OE2-NH2 3.66Å; W136-R138 VanDerWaalsContact C-N 3.28Å; W136-R138 PolarHBondContact O-N 3.47Å; R138-S141 VanDerWaalsContact O-CB 3.29Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.45Å; R138-H142 PolarHBondContact O-N 2.97Å; R138-E216 WeakPolarHBondContact CD-OE2 3.47Å; R138-E216 HydrophobicContact CG-CG 4.49Å; R138-E216 VanDerWaalsContact CG-OE1 3.31Å; R138-E216 WeakPolarHBondContact CG-OE1 3.28Å; R138-E216 WeakPolarHBondContact CG-OE2 3.46Å; R138-E216 IonicContact NE-OE2 3.99Å
139Y88.9Confident83.7Confident2 Ų244.2 Ų44.21%0.00825%0.248CC..Hα-helixtrans-68.2-40.6178.1-55.5-26.3000111.3L112 F113 Y116 N117 E135 W136 H142 V143 V212L112-Y139 HydrophobicContact CD1-CD1 4.36Å; L112-Y139 HydrophobicContact CD2-CD1 4.01Å; L112-Y139 HydrophobicContact CD2-CG 3.94Å; L112-Y139 HydrophobicContact CG-CD1 3.99Å; L112-Y139 HydrophobicContact CG-CD2 4.36Å; L112-Y139 HydrophobicContact CG-CG 3.91Å; F113-Y139 HydrophobicContact CB-CD2 4.13Å; F113-Y139 HydrophobicContact CB-CE2 4.06Å; F113-Y139 HydrophobicContact CD2-CD2 4.24Å; F113-Y139 AromaticContact CD2-CE2 3.83Å; F113-Y139 HydrophobicContact CD2-CE2 3.83Å; F113-Y139 HydrophobicContact CG-CE2 4.31Å; Y116-Y139 WeakPolarHBondContact CB-OH 3.49Å; Y116-Y139 HydrophobicContact CD2-CE1 4.2Å; N117-Y139 PolarHBondContact ND2-OH 2.95Å; E135-Y139 HydrophobicContact CB-CE2 3.87Å; E135-Y139 VanDerWaalsContact O-CD2 3.31Å; E135-Y139 WeakPolarHBondContact O-CD2 3.42Å; E135-Y139 PolarHBondContact O-N 2.9Å; E135-Y139 PolarHBondContact OE2-OH 3.34Å; W136-Y139 HydrophobicContact CE3-CD2 4.42Å; W136-Y139 PolarHBondContact O-N 2.67Å; Y139-H142 PolarHBondContact O-N 3.23Å; Y139-V143 VanDerWaalsContact O-CG2 3.32Å; Y139-V143 WeakPolarHBondContact O-CG2 3.4Å; Y139-V143 PolarHBondContact O-N 3.06Å; Y139-V212 HydrophobicContact CD1-CG1 4.3Å
140L88Confident83.3Confident6 Ų639 Ų393%0.03123%0.225CC..Hα-helixtrans-59-47.5169.5-75.8167.4000111.6F15 Y36 Y38 L109 W136 H142 V143 L144F15-L140 HydrophobicContact CB-CD1 4.45Å; F15-L140 HydrophobicContact CB-CD2 4.22Å; F15-L140 HydrophobicContact CD1-CD1 3.95Å; F15-L140 HydrophobicContact CD1-CD2 4.35Å; F15-L140 HydrophobicContact CD1-CG 4.45Å; F15-L140 HydrophobicContact CG-CD2 4.31Å; Y36-L140 HydrophobicContact CE1-CD1 4.07Å; Y38-L140 HydrophobicContact CD1-CD1 4.19Å; Y38-L140 HydrophobicContact CD2-CD1 3.83Å; Y38-L140 HydrophobicContact CE2-CD1 4.48Å; Y38-L140 HydrophobicContact CG-CD1 3.68Å; L109-L140 HydrophobicContact CD1-CD2 4.48Å; L109-L140 HydrophobicContact CD1-CG 4.41Å; L109-L140 HydrophobicContact CD2-CD2 3.59Å; L109-L140 HydrophobicContact CD2-CG 4.22Å; W136-L140 WeakPolarHBondContact O-CB 3.36Å; W136-L140 WeakPolarHBondContact O-CG 3.2Å; W136-L140 PolarHBondContact O-N 3.01Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.28Å; L140-V143 PolarHBondContact O-N 2.75Å; L140-L144 HydrophobicContact CB-CD1 4.31Å; L140-L144 HydrophobicContact CD2-CD1 4.26Å; L140-L144 VanDerWaalsContact O-CB 3.22Å; L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 WeakPolarHBondContact O-CD1 3.47Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.33Å
141S84.6Confident82.8Confident53 Ų5333.2 Ų33.237%0.37120%0.198SC..Hα-helixtrans-50.9-49.8172.8159.20000111.5A137 R138 S145 E216A137-S141 VanDerWaalsContact O-CB 3.26Å; A137-S141 WeakPolarHBondContact O-CB 3.38Å; A137-S141 PolarHBondContact O-N 2.95Å; R138-S141 VanDerWaalsContact O-CB 3.29Å; R138-S141 WeakPolarHBondContact O-CB 3.41Å; R138-S141 PolarHBondContact O-N 3.45Å; S141-S145 WeakPolarHBondContact O-CB 3.44Å; S141-S145 PolarHBondContact O-N 3.48Å; S141-S145 VanDerWaalsContact O-N 3.16Å; S141-S145 PolarHBondContact O-OG 2.99Å; S141-E216 PolarHBondContact OG-OE1 3.33Å
142H82.4Confident82.2Confident7 Ų731.2 Ų31.23%0.03218%0.184CC..Hα-helixtrans-63.6-53.7-178.6176.881.7000113.3R138 Y139 L140 S145 R158 M211 V212 S215R138-H142 PolarHBondContact O-N 2.97Å; Y139-H142 PolarHBondContact O-N 3.23Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 3.28Å; H142-S145 WeakPolarHBondContact O-CB 3.26Å; H142-S145 PolarHBondContact O-N 3.47Å; H142-R158 PolarHBondContact O-NH2 2.89Å; H142-M211 PolarHBondContact CE1-O 3.29Å; H142-V212 HydrophobicContact CB-CG1 4.34Å; H142-V212 HydrophobicContact CB-CG2 4.45Å; H142-S215 PolarHBondContact CE1-OG 3.15Å; H142-S215 WeakPolarHBondContact ND1-CB 3.47Å; H142-S215 PolarHBondContact ND1-OG 3.23Å
143V80.4Confident81.7Confident25 Ų2531.4 Ų31.415%0.15219%0.185CC..Hα-helixtrans-79.9-27.7-168.8-163.20000111.8L105 L112 Y139 L140 S145L105-V143 HydrophobicContact CD1-CB 3.98Å; L105-V143 HydrophobicContact CD1-CG1 3.26Å; L112-V143 HydrophobicContact CD2-CG2 3.83Å; Y139-V143 VanDerWaalsContact O-CG2 3.32Å; Y139-V143 WeakPolarHBondContact O-CG2 3.4Å; Y139-V143 PolarHBondContact O-N 3.06Å; L140-V143 PolarHBondContact O-N 2.75Å; V143-S145 VanDerWaalsContact C-N 3.31Å
144L77.7Confident81.3Confident26 Ų2630.7 Ų30.714%0.13618%0.179CC..Hα-helixtrans-76.1-21.2170.8-58.3173000112.2R11 C12 L105 L140 G146 Y152R11-L144 HydrophobicContact CB-CD2 4.25Å; R11-L144 PolarHBondContact NH1-O 2.96Å; C12-L144 HydrophobicContact CB-CD1 3.63Å; C12-L144 HydrophobicContact CB-CD2 3.7Å; C12-L144 HydrophobicContact CB-CG 4.33Å; L105-L144 HydrophobicContact CD2-CD2 4.2Å; L140-L144 HydrophobicContact CB-CD1 4.31Å; L140-L144 HydrophobicContact CD2-CD1 4.26Å; L140-L144 VanDerWaalsContact O-CB 3.22Å; L140-L144 WeakPolarHBondContact O-CB 3.2Å; L140-L144 WeakPolarHBondContact O-CD1 3.47Å; L140-L144 WeakPolarHBondContact O-CG 3.49Å; L140-L144 PolarHBondContact O-N 3.33Å; L144-G146 PolarHBondContact O-N 3.33Å; L144-Y152 HydrophobicContact CD2-CE2 3.84Å
145S72.3Confident80.7Confident59 Ų5928.6 Ų28.641%0.41316%0.164SC..  trans-73.2117.8170.9-68.90000110.8S141 H142 V143 R158S141-S145 WeakPolarHBondContact O-CB 3.44Å; S141-S145 PolarHBondContact O-N 3.48Å; S141-S145 VanDerWaalsContact O-N 3.16Å; S141-S145 PolarHBondContact O-OG 2.99Å; H142-S145 WeakPolarHBondContact O-CB 3.26Å; H142-S145 PolarHBondContact O-N 3.47Å; V143-S145 VanDerWaalsContact C-N 3.31Å; S145-R158 PolarHBondContact O-NH2 3.11Å
146G65.3Low80.2Confident22 Ų2227.1 Ų27.123%0.22716%0.158CC..  trans-150.7137.5-179.500000110.7R11 L144 S148R11-G146 PolarHBondContact NH1-O 2.77Å; L144-G146 PolarHBondContact O-N 3.33Å; G146-S148 VanDerWaalsContact C-N 3.29Å; G146-S148 PolarHBondContact O-N 2.79Å
147P62.2Low79.6Confident57 Ų5727.5 Ų27.537%0.3716%0.16SC..SBendtrans-72-20.6-170.429.8-36.1000113.5H151 R158 G527P147-H151 HydrophobicContact CG-CB 4.34Å; P147-R158 HydrophobicContact CG-CG 4.45Å; P147-G527 CarbonylContact O-C 3.58Å; P147-G527 WeakPolarHBondContact O-CA 3.44Å
148S72.3Confident79.2Confident12 Ų1228.1 Ų28.18%0.08415%0.154CC..SBendtrans-143.6165.5162.273.90000109.1G146 L150 H151G146-S148 VanDerWaalsContact C-N 3.29Å; G146-S148 PolarHBondContact O-N 2.79Å; S148-L150 PolarHBondContact O-N 3.28Å; S148-H151 PolarHBondContact O-N 3.38Å; S148-H151 PolarHBondContact OG-ND1 2.77Å
149E76.8Confident78.8Confident94 Ų9426.8 Ų26.844%0.43915%0.153SC..Hα-helixtrans-65.9-29.7178-60.6-170.7149.200112.1H151 Y152 I153 V538E149-H151 VanDerWaalsContact C-N 3.33Å; E149-H151 PolarHBondContact O-N 3.32Å; E149-Y152 PolarHBondContact O-N 2.92Å; E149-Y152 VanDerWaalsContact O-N 3.12Å; E149-I153 HydrophobicContact CB-CD1 4.47Å; E149-I153 WeakPolarHBondContact O-CB 3.13Å; E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.25Å; E149-I153 PolarHBondContact O-N 3.31Å; E149-V538 HydrophobicContact CB-CG1 3.89Å
150L82.2Confident78.2Confident1 Ų127.9 Ų27.91%0.00516%0.159CC..Hα-helixtrans-61.6-38.2174.7-64.2174.6000112.6S148 Y152 I153 L154 A512 L521 V525 F537 V538 T541S148-L150 PolarHBondContact O-N 3.28Å; L150-Y152 PolarHBondContact O-N 3.16Å; L150-I153 PolarHBondContact O-N 2.88Å; L150-L154 HydrophobicContact CB-CD1 4.49Å; L150-L154 VanDerWaalsContact O-CB 3.32Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.42Å; L150-A512 HydrophobicContact CD1-CB 4.02Å; L150-L521 HydrophobicContact CB-CD2 3.83Å; L150-V525 HydrophobicContact CD1-CB 4.04Å; L150-V525 HydrophobicContact CD1-CG1 4.27Å; L150-V525 HydrophobicContact CD1-CG2 3.96Å; L150-F537 HydrophobicContact CD1-CD1 4.39Å; L150-F537 HydrophobicContact CD1-CE1 4.07Å; L150-V538 HydrophobicContact CD2-CB 4.43Å; L150-V538 HydrophobicContact CD2-CG1 4.28Å; L150-V538 HydrophobicContact CD2-CG2 4.15Å; L150-V538 HydrophobicContact CG-CG2 4.16Å; L150-T541 HydrophobicContact CD2-CG2 3.79Å
151H80.3Confident77.3Confident36 Ų3630.8 Ų30.817%0.16718%0.175CC..Hα-helixtrans-63.6-29.8176.1-72.674.4000112.4P147 S148 E149 Q155 S156 L521P147-H151 HydrophobicContact CG-CB 4.34Å; S148-H151 PolarHBondContact O-N 3.38Å; S148-H151 PolarHBondContact OG-ND1 2.77Å; E149-H151 VanDerWaalsContact C-N 3.33Å; E149-H151 PolarHBondContact O-N 3.32Å; H151-Q155 CarbonylContact O-C 3.54Å; H151-Q155 WeakPolarHBondContact O-CA 3.26Å; H151-Q155 PolarHBondContact O-N 3.01Å; H151-Q155 VanDerWaalsContact O-N 3.13Å; H151-S156 WeakPolarHBondContact CA-OG 3.03Å; H151-S156 PolarHBondContact CD2-OG 3.22Å; H151-S156 PolarHBondContact O-N 3.26Å; H151-L521 HydrophobicContact CB-CD2 4.49Å
152Y77.8Confident76.5Confident20 Ų2033.1 Ų33.18%0.07818%0.182CC..Hα-helixtrans-85-37.1179.3173-106.1000112R11 L97 L105 L144 E149 L150 L154R11-Y152 HydrophobicContact CB-CE1 4.03Å; R11-Y152 HydrophobicContact CG-CE1 4.38Å; L97-Y152 HydrophobicContact CD1-CE1 3.74Å; L97-Y152 HydrophobicContact CD2-CD1 3.9Å; L97-Y152 HydrophobicContact CD2-CE1 3.62Å; L97-Y152 HydrophobicContact CG-CE1 4.34Å; L105-Y152 HydrophobicContact CD1-CE2 4.27Å; L105-Y152 HydrophobicContact CD2-CE2 3.57Å; L105-Y152 WeakPolarHBondContact CD2-OH 3.29Å; L144-Y152 HydrophobicContact CD2-CE2 3.84Å; E149-Y152 PolarHBondContact O-N 2.92Å; E149-Y152 VanDerWaalsContact O-N 3.12Å; L150-Y152 PolarHBondContact O-N 3.16Å; Y152-L154 VanDerWaalsContact C-N 3.34Å
153I82.5Confident75.7Confident5 Ų537.7 Ų37.73%0.02621%0.211CC..Hα-helixtrans-63.8-38.3172.8-73.5166.1000111.3L97 P98 S101 E149 L150 V538L97-I153 HydrophobicContact CD2-CG1 4Å; P98-I153 HydrophobicContact CG-CG2 3.72Å; S101-I153 VanDerWaalsContact CB-O 3.26Å; S101-I153 WeakPolarHBondContact CB-O 3.42Å; S101-I153 PolarHBondContact OG-O 3.45Å; E149-I153 HydrophobicContact CB-CD1 4.47Å; E149-I153 WeakPolarHBondContact O-CB 3.13Å; E149-I153 VanDerWaalsContact O-CG1 3.29Å; E149-I153 WeakPolarHBondContact O-CG1 3.25Å; E149-I153 PolarHBondContact O-N 3.31Å; L150-I153 PolarHBondContact O-N 2.88Å; I153-V538 HydrophobicContact CD1-CG1 3.48Å; I153-V538 VanDerWaalsContact CD1-CG1 3.48Å
154L83.4Confident75Confident1 Ų139.3 Ų39.31%0.00522%0.219CC..THydrogen-bonded Turntrans-106.19.5-174.5-58.3163.5000112.9L150 Y152 S156 Y514 L521 H545 Y577L150-L154 HydrophobicContact CB-CD1 4.49Å; L150-L154 VanDerWaalsContact O-CB 3.32Å; L150-L154 WeakPolarHBondContact O-CB 3.39Å; L150-L154 WeakPolarHBondContact O-CG 3.46Å; L150-L154 PolarHBondContact O-N 3.42Å; Y152-L154 VanDerWaalsContact C-N 3.34Å; L154-S156 PolarHBondContact O-N 2.88Å; L154-Y514 HydrophobicContact CB-CD1 4.37Å; L154-Y514 HydrophobicContact CB-CD2 3.93Å; L154-Y514 HydrophobicContact CB-CE2 4.12Å; L154-Y514 HydrophobicContact CB-CG 4.1Å; L154-Y514 HydrophobicContact CD1-CG 4.37Å; L154-Y514 HydrophobicContact CD2-CD1 4.05Å; L154-Y514 HydrophobicContact CD2-CG 4.22Å; L154-Y514 HydrophobicContact CG-CG 4.45Å; L154-Y514 WeakPolarHBondContact O-CE2 3.45Å; L154-Y514 PolarHBondContact O-OH 3.43Å; L154-L521 HydrophobicContact CD1-CD1 3.92Å; L154-L521 HydrophobicContact CD1-CD2 4.22Å; L154-H545 HydrophobicContact CD2-CB 4.38Å; L154-Y577 HydrophobicContact CD2-CE2 4.4Å
155Q78.1Confident75.1Confident38 Ų3838.5 Ų38.518%0.17822%0.215CC..THydrogen-bonded Turntrans4928.4179.8-58.5-126.8-19.900115.7S101 E104 L105 H151S101-Q155 PolarHBondContact O-NE2 3.03Å; E104-Q155 VanDerWaalsContact C-NE2 3.31Å; E104-Q155 HydrophobicContact CB-CG 4.34Å; L105-Q155 VanDerWaalsContact CA-NE2 3.28Å; H151-Q155 CarbonylContact O-C 3.54Å; H151-Q155 WeakPolarHBondContact O-CA 3.26Å; H151-Q155 PolarHBondContact O-N 3.01Å; H151-Q155 VanDerWaalsContact O-N 3.13Å
156S79.6Confident75.5Confident8 Ų839.3 Ų39.36%0.05622%0.215CC..  trans-76.9135.1-16664.20000113.2H151 L154 R158 S519H151-S156 WeakPolarHBondContact CA-OG 3.03Å; H151-S156 PolarHBondContact CD2-OG 3.22Å; H151-S156 PolarHBondContact O-N 3.26Å; L154-S156 PolarHBondContact O-N 2.88Å; S156-R158 PolarHBondContact O-N 3.42Å; S156-S519 CarbonylContact C-O 3.58Å; S156-S519 WeakPolarHBondContact CA-O 3.32Å; S156-S519 WeakPolarHBondContact CB-O 3.27Å
157V80.7Confident76.5Confident8 Ų842.7 Ų42.75%0.04823%0.233CC..  trans-51129.3167.3-179.50000109.5T159 V197 P204 T207 I208 M211 S519V157-T159 HydrophobicContact CG1-CG2 4.15Å; V157-T159 PolarHBondContact O-N 3.33Å; V157-V197 HydrophobicContact CG1-CB 4.32Å; V157-V197 HydrophobicContact CG1-CG2 3.58Å; V157-P204 HydrophobicContact CG2-CB 3.91Å; V157-T207 HydrophobicContact CG1-CG2 4.3Å; V157-I208 HydrophobicContact CG2-CD1 4.04Å; V157-I208 HydrophobicContact CG2-CG1 3.85Å; V157-M211 HydrophobicContact CG1-SD 4.13Å; V157-S519 PolarHBondContact N-O 3.2Å
158R80.3Confident77.7Confident48 Ų4845.5 Ų45.518%0.18124%0.244CC..  trans-75.786.8175.8-46.3-175.8-158.3125.43.4109.5H142 S145 P147 S156 R196 V197 M211 S215H142-R158 PolarHBondContact O-NH2 2.89Å; S145-R158 PolarHBondContact O-NH2 3.11Å; P147-R158 HydrophobicContact CG-CG 4.45Å; S156-R158 PolarHBondContact O-N 3.42Å; R158-R196 CarbonylContact O-C 3.56Å; R158-R196 WeakPolarHBondContact O-CA 3.46Å; R158-R196 WeakPolarHBondContact O-CB 3.45Å; R158-V197 PolarHBondContact O-N 3.02Å; R158-M211 HydrophobicContact CB-CE 3.93Å; R158-M211 HydrophobicContact CG-CE 4.41Å; R158-S215 PolarHBondContact NH1-OG 2.77Å
159T79.5Confident78.5Confident35 Ų3545.8 Ų45.822%0.21525%0.245CC..BIsolated β-bridgetrans-79165.6174.359.30000111.9V157 R196 V197 T520V157-T159 HydrophobicContact CG1-CG2 4.15Å; V157-T159 PolarHBondContact O-N 3.33Å; T159-R196 WeakPolarHBondContact O-CD 3.36Å; T159-V197 HydrophobicContact CG2-CB 4.46Å; T159-T520 HydrophobicContact CG2-CG2 3.78Å
160L76.4Confident79.1Confident24 Ų2443.1 Ų43.113%0.12623%0.233CC..  trans-63.8155.3153.6-84.1168.3000110.1L162 V165 F193 R196 V197 V198 L495L160-L162 PolarHBondContact O-N 2.76Å; L160-V165 HydrophobicContact CB-CG2 4.29Å; L160-V165 HydrophobicContact CD1-CG2 4.37Å; L160-F193 HydrophobicContact CD1-CB 4.47Å; L160-R196 HydrophobicContact CG-CB 4.32Å; L160-V197 PolarHBondContact N-O 2.93Å; L160-V198 HydrophobicContact CD1-CB 4.3Å; L160-V198 HydrophobicContact CD1-CG1 4.26Å; L160-V198 HydrophobicContact CD1-CG2 3.83Å; L160-L495 HydrophobicContact CD1-CD2 4.19Å
161D69.4Low79.6Confident67 Ų6747.6 Ų47.636%0.35826%0.257SS..  trans-78.3105.3173.8-180-3.5000109.1T163 N164D161-T163 VanDerWaalsContact CG-OG1 3.26Å; D161-T163 PolarHBondContact O-N 2.75Å; D161-T163 VanDerWaalsContact O-N 3.14Å; D161-T163 WeakPolarHBondContact OD1-CB 3.41Å; D161-T163 PolarHBondContact OD1-N 3.24Å; D161-T163 PolarHBondContact OD1-OG1 3.46Å; D161-T163 PolarHBondContact OD2-OG1 3.37Å; D161-N164 PolarHBondContact O-N 3.39Å; D161-N164 VanDerWaalsContact O-N 3.08Å; D161-N164 PolarHBondContact OD2-ND2 3.38Å
162L67.6Low80.2Confident102 Ų10249 Ų4953%0.53426%0.262SS..THydrogen-bonded Turntrans-64.3-16.4-174.5-54.3176.5000113.1L160 N164 L170L160-L162 PolarHBondContact O-N 2.76Å; L162-N164 VanDerWaalsContact C-N 3.31Å; L162-L170 HydrophobicContact CD2-CD1 3.74Å; L162-L170 HydrophobicContact CD2-CD2 4.24Å
163T64.6Low80.9Confident104 Ų10448 Ų4864%0.63826%0.258SS*.THydrogen-bonded Turntrans-75.9-21.8175.866.80000113D161D161-T163 VanDerWaalsContact CG-OG1 3.26Å; D161-T163 PolarHBondContact O-N 2.75Å; D161-T163 VanDerWaalsContact O-N 3.14Å; D161-T163 WeakPolarHBondContact OD1-CB 3.41Å; D161-T163 PolarHBondContact OD1-N 3.24Å; D161-T163 PolarHBondContact OD1-OG1 3.46Å; D161-T163 PolarHBondContact OD2-OG1 3.37Å
164N66.8Low81.3Confident59 Ų5949.1 Ų49.132%0.31627%0.268SS..SBendtrans-108.6-4.4-172.3-77.4-59.1000113.7D161 L162 V498 V501D161-N164 PolarHBondContact O-N 3.39Å; D161-N164 VanDerWaalsContact O-N 3.08Å; D161-N164 PolarHBondContact OD2-ND2 3.38Å; L162-N164 VanDerWaalsContact C-N 3.31Å; N164-V498 VanDerWaalsContact O-CG1 3.25Å; N164-V498 WeakPolarHBondContact O-CG1 3.39Å; N164-V501 WeakPolarHBondContact OD1-CB 3.37Å; N164-V501 VanDerWaalsContact OD1-CG2 3.22Å; N164-V501 WeakPolarHBondContact OD1-CG2 3.35Å
165V78.3Confident81.8Confident8 Ų853.5 Ų53.55%0.04829%0.291CS..SBendtrans-111.2131.5-179.7-177.60000109.6L160 P167 L169 L170 L495 V498L160-V165 HydrophobicContact CB-CG2 4.29Å; L160-V165 HydrophobicContact CD1-CG2 4.37Å; V165-P167 WeakPolarHBondContact O-CD 3.39Å; V165-L169 HydrophobicContact CG1-CB 4.14Å; V165-L169 HydrophobicContact CG1-CD1 4.34Å; V165-L170 HydrophobicContact CB-CD2 4.47Å; V165-L170 HydrophobicContact CG1-CD2 3.92Å; V165-L170 HydrophobicContact CG1-CG 4.04Å; V165-L495 HydrophobicContact CG1-CD2 4.2Å; V165-V498 HydrophobicContact CG2-CG1 4.32Å
166D81.9Confident82.5Confident77 Ų7752 Ų5241%0.41228%0.284SS..  trans-54.7123172.4175.31.6000110.7L168 L169 L170D166-L168 PolarHBondContact O-N 3.12Å; D166-L168 WeakPolarHBondContact OD1-CB 3.48Å; D166-L168 WeakPolarHBondContact OD1-CG 3.26Å; D166-L168 PolarHBondContact OD1-N 3.21Å; D166-L169 HydrophobicContact CB-CD1 4.23Å; D166-L169 HydrophobicContact CB-CG 4.14Å; D166-L169 WeakPolarHBondContact O-CB 3.28Å; D166-L169 PolarHBondContact O-N 3.03Å; D166-L170 PolarHBondContact O-N 3.28Å
167P85.2Confident83.1Confident93 Ų9351.7 Ų51.760%0.60428%0.282SS*.Hα-helixtrans-52.4-26.4175.8-28.736.5000114.5V165 L169 L170 L171V165-P167 WeakPolarHBondContact O-CD 3.39Å; P167-L169 VanDerWaalsContact C-N 3.31Å; P167-L169 PolarHBondContact O-N 3.19Å; P167-L170 PolarHBondContact O-N 2.88Å; P167-L171 WeakPolarHBondContact O-CB 3.41Å; P167-L171 PolarHBondContact O-N 3.43Å
168L89Confident83.7Confident116 Ų11656.6 Ų56.661%0.60730%0.304SS*.Hα-helixtrans-67.3-29.8175-59.4176.5000112.6D166 K172D166-L168 PolarHBondContact O-N 3.12Å; D166-L168 WeakPolarHBondContact OD1-CB 3.48Å; D166-L168 WeakPolarHBondContact OD1-CG 3.26Å; D166-L168 PolarHBondContact OD1-N 3.21Å; L168-K172 VanDerWaalsContact O-CB 3.3Å; L168-K172 WeakPolarHBondContact O-CB 3.24Å; L168-K172 PolarHBondContact O-N 2.87Å
169L89.1Confident84.2Confident18 Ų1855.9 Ų55.99%0.09431%0.309CS..Hα-helixtrans-73.5-37.2173.9-61.6178000111.6V165 D166 P167 K172 A173 L491 H494 L495 V498V165-L169 HydrophobicContact CG1-CB 4.14Å; V165-L169 HydrophobicContact CG1-CD1 4.34Å; D166-L169 HydrophobicContact CB-CD1 4.23Å; D166-L169 HydrophobicContact CB-CG 4.14Å; D166-L169 WeakPolarHBondContact O-CB 3.28Å; D166-L169 PolarHBondContact O-N 3.03Å; P167-L169 VanDerWaalsContact C-N 3.31Å; P167-L169 PolarHBondContact O-N 3.19Å; L169-K172 PolarHBondContact O-N 3.33Å; L169-A173 PolarHBondContact O-N 3.46Å; L169-L491 HydrophobicContact CB-CD1 4.2Å; L169-L491 HydrophobicContact CD2-CD1 4.28Å; L169-H494 HydrophobicContact CD1-CB 3.96Å; L169-H494 HydrophobicContact CD2-CB 3.6Å; L169-H494 HydrophobicContact CG-CB 4.47Å; L169-L495 HydrophobicContact CD1-CD2 4.3Å; L169-V498 HydrophobicContact CD1-CG2 4.15Å
170L89.2Confident84.7Confident37 Ų3754.3 Ų54.319%0.19430%0.299CS..Hα-helixtrans-66.6-42.7173.7-57.6176.3000111L162 V165 D166 P167 A173 A174 V198L162-L170 HydrophobicContact CD2-CD1 3.74Å; L162-L170 HydrophobicContact CD2-CD2 4.24Å; V165-L170 HydrophobicContact CB-CD2 4.47Å; V165-L170 HydrophobicContact CG1-CD2 3.92Å; V165-L170 HydrophobicContact CG1-CG 4.04Å; D166-L170 PolarHBondContact O-N 3.28Å; P167-L170 PolarHBondContact O-N 2.88Å; L170-A173 WeakPolarHBondContact O-CB 3.37Å; L170-A173 PolarHBondContact O-N 3.35Å; L170-A174 PolarHBondContact O-N 3.27Å; L170-V198 HydrophobicContact CD2-CG1 4.2Å
171L91.4Very high85.4Confident96 Ų9657 Ų5750%0.50331%0.311SS..Hα-helixtrans-62.4-43.5172.8179.660.1000111.5P167 A173 A174 L175P167-L171 WeakPolarHBondContact O-CB 3.41Å; P167-L171 PolarHBondContact O-N 3.43Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 3.08Å; L171-A174 PolarHBondContact O-N 3.07Å; L171-L175 HydrophobicContact CD1-CD1 4.32Å; L171-L175 HydrophobicContact CD1-CG 4.29Å; L171-L175 HydrophobicContact CG-CD1 4.04Å; L171-L175 HydrophobicContact CG-CG 4.47Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.32Å
172K92.4Very high86.3Confident65 Ų6563.2 Ų63.228%0.28333%0.329SS..Hα-helixtrans-59.4-42.4174.1-177.5176.7178.6178.60111.8L168 L169 L175 I176 S487 G490 L491L168-K172 VanDerWaalsContact O-CB 3.3Å; L168-K172 WeakPolarHBondContact O-CB 3.24Å; L168-K172 PolarHBondContact O-N 2.87Å; L169-K172 PolarHBondContact O-N 3.33Å; K172-L175 PolarHBondContact O-N 3.07Å; K172-I176 HydrophobicContact CG-CD1 4.35Å; K172-I176 VanDerWaalsContact O-CG1 3.32Å; K172-I176 WeakPolarHBondContact O-CG1 3.4Å; K172-I176 PolarHBondContact O-N 3.06Å; K172-S487 WeakPolarHBondContact CE-O 3.34Å; K172-G490 PolarHBondContact NZ-O 2.87Å; K172-L491 HydrophobicContact CD-CB 4.46Å; K172-L491 HydrophobicContact CD-CD1 4.42Å
173A92.8Very high87.3Confident0 Ų058.4 Ų58.40%030%0.304CS..Hα-helixtrans-61.6-44.9175.200000111.9L169 L170 L171 L175 I176 L177 I191 V198 L491L169-A173 PolarHBondContact O-N 3.46Å; L170-A173 WeakPolarHBondContact O-CB 3.37Å; L170-A173 PolarHBondContact O-N 3.35Å; L171-A173 VanDerWaalsContact C-N 3.33Å; L171-A173 PolarHBondContact O-N 3.08Å; A173-L175 PolarHBondContact O-N 3.39Å; A173-I176 PolarHBondContact O-N 3.36Å; A173-L177 PolarHBondContact O-N 3.43Å; A173-I191 HydrophobicContact CB-CD1 4.09Å; A173-I191 WeakPolarHBondContact O-CD1 3.47Å; A173-V198 HydrophobicContact CB-CB 4.49Å; A173-V198 HydrophobicContact CB-CG1 3.77Å; A173-L491 HydrophobicContact CB-CD2 3.81Å
174A92.3Very high88.3Confident27 Ų2759 Ų5922%0.22331%0.31CS..Hα-helixtrans-63.4-39.517600000112.8L170 L171 L177 Q178L170-A174 PolarHBondContact O-N 3.27Å; L171-A174 PolarHBondContact O-N 3.07Å; A174-L177 PolarHBondContact O-N 3.19Å; A174-Q178 WeakPolarHBondContact O-CG 3.49Å; A174-Q178 PolarHBondContact O-N 3.39Å
175L93.1Very high89.5Confident93 Ų9357.2 Ų57.249%0.48730%0.3SS..Hα-helixtrans-66.3-35.7176.7-72.7169.1000112.7L171 K172 A173 Q178 A179L171-L175 HydrophobicContact CD1-CD1 4.32Å; L171-L175 HydrophobicContact CD1-CG 4.29Å; L171-L175 HydrophobicContact CG-CD1 4.04Å; L171-L175 HydrophobicContact CG-CG 4.47Å; L171-L175 WeakPolarHBondContact O-CB 3.43Å; L171-L175 VanDerWaalsContact O-CG 3.31Å; L171-L175 WeakPolarHBondContact O-CG 3.25Å; L171-L175 PolarHBondContact O-N 3.32Å; K172-L175 PolarHBondContact O-N 3.07Å; A173-L175 PolarHBondContact O-N 3.39Å; L175-Q178 PolarHBondContact O-N 3.18Å; L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 2.8Å
176I92.6Very high90.1Very high7 Ų757.3 Ų57.34%0.03630%0.3CS..Hα-helixtrans-62.3-47172.1-67.5165.5000110.1K172 A173 Q178 A179 C180 I191 L488 L491K172-I176 HydrophobicContact CG-CD1 4.35Å; K172-I176 VanDerWaalsContact O-CG1 3.32Å; K172-I176 WeakPolarHBondContact O-CG1 3.4Å; K172-I176 PolarHBondContact O-N 3.06Å; A173-I176 PolarHBondContact O-N 3.36Å; I176-Q178 VanDerWaalsContact C-N 3.34Å; I176-Q178 PolarHBondContact O-N 3.03Å; I176-A179 WeakPolarHBondContact O-CB 3.28Å; I176-A179 PolarHBondContact O-N 3.16Å; I176-A179 VanDerWaalsContact O-N 3.11Å; I176-C180 PolarHBondContact O-N 3.34Å; I176-C180 PolarHBondContact O-SG 2.81Å; I176-C180 VanDerWaalsContact O-SG 3.35Å; I176-I191 HydrophobicContact CB-CD1 4.08Å; I176-I191 HydrophobicContact CD1-CD1 4.46Å; I176-I191 HydrophobicContact CG2-CD1 4.04Å; I176-L488 HydrophobicContact CD1-CD2 4.31Å; I176-L488 HydrophobicContact CG2-CD2 4.2Å; I176-L488 HydrophobicContact CG2-CG 4.45Å; I176-L491 HydrophobicContact CD1-CB 4.44Å; I176-L491 HydrophobicContact CD1-CD2 4.02Å
177L93.4Very high90.6Very high1 Ų155.1 Ų55.11%0.00529%0.289CS..Hα-helixtrans-63.3-38.3178.2-68.4178.3000112.5A173 A174 A179 C180 Q181 I191 Q201 L462 L464A173-L177 PolarHBondContact O-N 3.43Å; A174-L177 PolarHBondContact O-N 3.19Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-C180 PolarHBondContact O-N 3.37Å; L177-Q181 PolarHBondContact O-N 2.92Å; L177-Q181 VanDerWaalsContact O-N 3.08Å; L177-I191 HydrophobicContact CD1-CG1 4.32Å; L177-I191 HydrophobicContact CD2-CD1 4.25Å; L177-I191 HydrophobicContact CD2-CG1 3.87Å; L177-I191 HydrophobicContact CG-CD1 4Å; L177-I191 HydrophobicContact CG-CG1 4.01Å; L177-Q201 HydrophobicContact CB-CG 4.2Å; L177-Q201 HydrophobicContact CD1-CG 4.28Å; L177-Q201 PolarHBondContact O-NE2 2.95Å; L177-L462 HydrophobicContact CD2-CD1 3.48Å; L177-L462 VanDerWaalsContact CD2-CD1 3.48Å; L177-L464 HydrophobicContact CD2-CD2 4.37Å
178Q91.6Very high91Very high111 Ų11150.7 Ų50.752%0.51926%0.26SS..Hα-helixtrans-66.8-31.9172.4-74178.2-6.200113A174 L175 I176A174-Q178 WeakPolarHBondContact O-CG 3.49Å; A174-Q178 PolarHBondContact O-N 3.39Å; L175-Q178 PolarHBondContact O-N 3.18Å; I176-Q178 VanDerWaalsContact C-N 3.34Å; I176-Q178 PolarHBondContact O-N 3.03Å
179A91.4Very high91.1Very high34 Ų3445.2 Ų45.228%0.28123%0.231SC..Hα-helixtrans-68.6-43.8173.600000111.4L175 I176 L177 Q181 R182L175-A179 WeakPolarHBondContact O-CB 3.43Å; L175-A179 PolarHBondContact O-N 2.8Å; I176-A179 WeakPolarHBondContact O-CB 3.28Å; I176-A179 PolarHBondContact O-N 3.16Å; I176-A179 VanDerWaalsContact O-N 3.11Å; L177-A179 VanDerWaalsContact C-N 3.34Å; A179-Q181 VanDerWaalsContact C-N 3.34Å; A179-Q181 PolarHBondContact O-N 2.93Å; A179-R182 VanDerWaalsContact O-CB 3.29Å; A179-R182 WeakPolarHBondContact O-CB 3.47Å; A179-R182 VanDerWaalsContact O-CG 3.3Å; A179-R182 WeakPolarHBondContact O-CG 3.5Å; A179-R182 PolarHBondContact O-N 2.83Å; A179-R182 VanDerWaalsContact O-N 3.1Å
180C90.9Very high91.3Very high1 Ų144.4 Ų44.41%0.00723%0.227CC..Hα-helixtrans-62.1-38.7175.6-61.40000112.5I176 L177 R182 C183 V186 L464I176-C180 PolarHBondContact O-N 3.34Å; I176-C180 PolarHBondContact O-SG 2.81Å; I176-C180 VanDerWaalsContact O-SG 3.35Å; L177-C180 PolarHBondContact O-N 3.37Å; C180-R182 PolarHBondContact O-N 3.3Å; C180-R182 VanDerWaalsContact O-N 3.1Å; C180-C183 PolarHBondContact O-N 2.85Å; C180-V186 HydrophobicContact CB-CG1 4.45Å; C180-L464 HydrophobicContact CB-CD1 4.02Å; C180-L464 HydrophobicContact CB-CD2 3.98Å
181Q90.3Very high91.5Very high80 Ų8042.6 Ų42.637%0.37422%0.218SC..THydrogen-bonded Turntrans-66.1-2.3174.2-83.8-170.5-38.400115L177 A179 C183 V186 L187 Q201L177-Q181 PolarHBondContact O-N 2.92Å; L177-Q181 VanDerWaalsContact O-N 3.08Å; A179-Q181 VanDerWaalsContact C-N 3.34Å; A179-Q181 PolarHBondContact O-N 2.93Å; Q181-C183 VanDerWaalsContact C-N 3.32Å; Q181-V186 HydrophobicContact CG-CG1 4.44Å; Q181-L187 PolarHBondContact NE2-O 2.91Å; Q181-Q201 VanDerWaalsContact CD-CD 3.47Å; Q181-Q201 VanDerWaalsContact CD-NE2 3.34Å; Q181-Q201 VanDerWaalsContact CD-OE1 3.24Å
182R88.3Confident91.5Very high199 Ų19938.1 Ų38.175%0.75120%0.195SC*.THydrogen-bonded Turntrans-74.1-26.7170.7-57.9178.476.897.61111.8A179 C180A179-R182 VanDerWaalsContact O-CB 3.29Å; A179-R182 WeakPolarHBondContact O-CB 3.47Å; A179-R182 VanDerWaalsContact O-CG 3.3Å; A179-R182 WeakPolarHBondContact O-CG 3.5Å; A179-R182 PolarHBondContact O-N 2.83Å; A179-R182 VanDerWaalsContact O-N 3.1Å; C180-R182 PolarHBondContact O-N 3.3Å; C180-R182 VanDerWaalsContact O-N 3.1Å
183C88.2Confident91.3Very high1 Ų135.4 Ų35.41%0.00718%0.183CC..SBendtrans-71122.6169.4173.90000109C180 Q181 L185 V186 S476 V480C180-C183 PolarHBondContact O-N 2.85Å; Q181-C183 VanDerWaalsContact C-N 3.32Å; C183-L185 PolarHBondContact O-N 2.84Å; C183-V186 HydrophobicContact CB-CG2 3.93Å; C183-V186 PolarHBondContact O-N 3.46Å; C183-S476 VanDerWaalsContact SG-CB 3.57Å; C183-S476 PolarHBondContact SG-OG 3.02Å; C183-V480 HydrophobicContact CB-CG2 3.88Å
184P86.3Confident90.8Very high117 Ų11740.1 Ų40.176%0.7620%0.201SC*.THydrogen-bonded Turntrans-70-5.3-172.929.7-37000114.4
185L91.6Very high90.2Very high20 Ų2039.2 Ų39.211%0.10519%0.193CC..THydrogen-bonded Turntrans-95.4-7.1175.9-56.7178000112.6C183 V466 D467 F470 D473C183-L185 PolarHBondContact O-N 2.84Å; L185-V466 CarbonylContact O-C 3.57Å; L185-V466 VanDerWaalsContact O-CA 3.27Å; L185-V466 WeakPolarHBondContact O-CA 3.37Å; L185-V466 WeakPolarHBondContact O-CB 3.42Å; L185-D467 HydrophobicContact CB-CB 4.32Å; L185-D467 HydrophobicContact CD2-CB 4.18Å; L185-D467 PolarHBondContact O-N 2.77Å; L185-F470 HydrophobicContact CB-CB 4.05Å; L185-F470 HydrophobicContact CB-CD2 3.94Å; L185-F470 HydrophobicContact CB-CG 4.46Å; L185-F470 HydrophobicContact CD1-CB 4.25Å; L185-F470 HydrophobicContact CD1-CD2 4.32Å; L185-D473 HydrophobicContact CD1-CB 4.26Å
186V91.8Very high89.9Confident10 Ų1040.4 Ų40.46%0.06119%0.192CC..EExtended strand (participates in β ladder)trans-96.5114.4177.6179.30000109.8C180 Q181 C183 L464 V466 F470 V480C180-V186 HydrophobicContact CB-CG1 4.45Å; Q181-V186 HydrophobicContact CG-CG1 4.44Å; C183-V186 HydrophobicContact CB-CG2 3.93Å; C183-V186 PolarHBondContact O-N 3.46Å; V186-L464 HydrophobicContact CG1-CB 4.34Å; V186-L464 HydrophobicContact CG1-CD1 4.21Å; V186-L464 HydrophobicContact CG1-CD2 4.11Å; V186-L464 HydrophobicContact CG1-CG 4.46Å; V186-L464 HydrophobicContact CG2-CD1 4.25Å; V186-V466 HydrophobicContact CB-CG1 4.47Å; V186-V466 HydrophobicContact CG2-CG1 4.01Å; V186-F470 HydrophobicContact CG2-CE2 4.25Å; V186-V480 HydrophobicContact CG2-CG2 4.02Å
187L91.4Very high89.7Confident31 Ų3140.5 Ų40.516%0.16219%0.192CC..EExtended strand (participates in β ladder)trans-80.8-49.4-178.3-60.4176.6000111.6Q181 L249 Q253 M450 L465Q181-L187 PolarHBondContact NE2-O 2.91Å; L187-L249 HydrophobicContact CD1-CD1 3.69Å; L187-Q253 HydrophobicContact CD2-CG 4.48Å; L187-M450 HydrophobicContact CD1-CE 4.42Å; L187-M450 HydrophobicContact CD1-SD 3.77Å; L187-L465 WeakPolarHBondContact CB-O 3.43Å; L187-L465 PolarHBondContact N-O 2.9Å
188A93.3Very high89.5Confident1 Ų141 Ų411%0.00820%0.195CC..EExtended strand (participates in β ladder)trans-162.6161.4179.600000110.6Q201 M202 L252 L465A188-Q201 HydrophobicContact CB-CB 4.02Å; A188-M202 HydrophobicContact CB-CG 3.72Å; A188-L252 HydrophobicContact CB-CD2 3.87Å; A188-L465 PolarHBondContact O-N 2.99Å
189G92.7Very high89.5Confident0 Ų036.8 Ų36.80%018%0.178CC..EExtended strand (participates in β ladder)trans-138.2171.2173.100000115.4Q201 A463G189-Q201 PolarHBondContact O-N 3.28Å; G189-A463 CarbonylContact C-O 3.46Å; G189-A463 WeakPolarHBondContact CA-O 3.45Å
190C93.4Very high89.5Confident1 Ų137.6 Ų37.61%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-140143.5172.6178.20000109.8L192 S199 M202 A463C190-L192 VanDerWaalsContact SG-CD2 3.59Å; C190-S199 CarbonylContact C-O 3.41Å; C190-S199 WeakPolarHBondContact CA-O 3.41Å; C190-S199 PolarHBondContact SG-O 2.88Å; C190-M202 HydrophobicContact CB-CE 3.49Å; C190-M202 VanDerWaalsContact CB-CE 3.49Å; C190-A463 PolarHBondContact N-O 3.47Å; C190-A463 PolarHBondContact O-N 3.23Å
191I93.1Very high89.6Confident0 Ų039.8 Ų39.80%019%0.19CC..EExtended strand (participates in β ladder)trans-110122.1172-65.1177.2000108.2A173 I176 L177 V198 S199 L460 V461 L462 L488 L491A173-I191 HydrophobicContact CB-CD1 4.09Å; A173-I191 WeakPolarHBondContact O-CD1 3.47Å; I176-I191 HydrophobicContact CB-CD1 4.08Å; I176-I191 HydrophobicContact CD1-CD1 4.46Å; I176-I191 HydrophobicContact CG2-CD1 4.04Å; L177-I191 HydrophobicContact CD1-CG1 4.32Å; L177-I191 HydrophobicContact CD2-CD1 4.25Å; L177-I191 HydrophobicContact CD2-CG1 3.87Å; L177-I191 HydrophobicContact CG-CD1 4Å; L177-I191 HydrophobicContact CG-CG1 4.01Å; I191-V198 HydrophobicContact CB-CB 4.33Å; I191-V198 HydrophobicContact CG2-CB 4.03Å; I191-V198 HydrophobicContact CG2-CG2 3.91Å; I191-V198 WeakPolarHBondContact O-CB 3.42Å; I191-V198 PolarHBondContact O-N 3.02Å; I191-S199 PolarHBondContact N-O 3.15Å; I191-S199 PolarHBondContact O-N 3.46Å; I191-L460 HydrophobicContact CG2-CD1 3.45Å; I191-L460 VanDerWaalsContact CG2-CD1 3.45Å; I191-L460 HydrophobicContact CG2-CD2 4.26Å; I191-L460 HydrophobicContact CG2-CG 3.91Å; I191-V461 WeakPolarHBondContact CA-O 3.36Å; I191-L462 HydrophobicContact CD1-CD1 4.4Å; I191-L462 HydrophobicContact CG1-CD1 3.78Å; I191-L488 HydrophobicContact CD1-CD2 4.12Å; I191-L491 HydrophobicContact CD1-CD2 4.33Å; I191-L491 HydrophobicContact CG2-CD2 4.33Å
192L90.9Very high89.6Confident2 Ų236.4 Ų36.41%0.0117%0.174CC..EExtended strand (participates in β ladder)trans-109.8133179.7-59177.7000109.9C190 R196 V197 M211 E214 L460 V461C190-L192 VanDerWaalsContact SG-CD2 3.59Å; L192-R196 CarbonylContact C-O 3.54Å; L192-R196 VanDerWaalsContact CA-O 3.27Å; L192-R196 WeakPolarHBondContact CA-O 3.17Å; L192-V197 HydrophobicContact CD2-CB 4.38Å; L192-V197 HydrophobicContact CD2-CG2 3.75Å; L192-M211 HydrophobicContact CD1-CG 4.17Å; L192-M211 HydrophobicContact CD2-CG 3.81Å; L192-M211 HydrophobicContact CD2-SD 4.44Å; L192-E214 HydrophobicContact CD1-CB 3.94Å; L192-E214 HydrophobicContact CD1-CG 3.87Å; L192-L460 CarbonylContact O-C 3.59Å; L192-L460 VanDerWaalsContact O-CA 3.28Å; L192-L460 WeakPolarHBondContact O-CA 3.21Å; L192-V461 PolarHBondContact N-O 3.45Å; L192-V461 PolarHBondContact O-N 2.87Å
193F88Confident89.7Confident8 Ų828 Ų284%0.03515%0.145CC..EExtended strand (participates in β ladder)trans-122.3121.5171.3-177.6-113000109.4L160 G195 R196 V198 S459 L460 E492 L495 R496L160-F193 HydrophobicContact CD1-CB 4.47Å; F193-G195 PolarHBondContact O-N 3.45Å; F193-R196 PolarHBondContact N-O 3.03Å; F193-R196 PolarHBondContact O-N 3.23Å; F193-V198 HydrophobicContact CB-CG2 3.56Å; F193-S459 WeakPolarHBondContact CA-O 3.41Å; F193-S459 WeakPolarHBondContact CD2-O 3.5Å; F193-L460 HydrophobicContact CB-CD1 3.85Å; F193-L460 HydrophobicContact CD2-CB 4.33Å; F193-L460 HydrophobicContact CD2-CD1 4.02Å; F193-L460 HydrophobicContact CG-CD1 4.38Å; F193-E492 HydrophobicContact CD2-CG 4.49Å; F193-E492 HydrophobicContact CE2-CG 4.15Å; F193-L495 HydrophobicContact CB-CD1 4.18Å; F193-L495 HydrophobicContact CD1-CB 4.1Å; F193-L495 HydrophobicContact CD2-CB 4.1Å; F193-L495 HydrophobicContact CD2-CD1 4.29Å; F193-L495 HydrophobicContact CE1-CB 3.9Å; F193-L495 VanDerWaalsContact CE1-O 3.27Å; F193-L495 WeakPolarHBondContact CE1-O 3.2Å; F193-L495 HydrophobicContact CE2-CB 3.9Å; F193-L495 HydrophobicContact CG-CB 4.19Å; F193-L495 HydrophobicContact CG-CD1 4.13Å; F193-L495 HydrophobicContact CZ-CB 3.79Å; F193-L495 VanDerWaalsContact CZ-O 3.29Å; F193-L495 WeakPolarHBondContact CZ-O 3.5Å; F193-R496 HydrophobicContact CZ-CG 4.38Å
194R83Confident89.6Confident99 Ų9928.8 Ų28.837%0.37415%0.15SC..THydrogen-bonded Turntrans49.942.4-179.6-60.6-179.3172161.3-2.9113.3R196 F218 S459R194-R196 VanDerWaalsContact C-N 3.32Å; R194-R196 PolarHBondContact O-N 3.4Å; R194-F218 HydrophobicContact CB-CD2 4.1Å; R194-F218 HydrophobicContact CB-CE2 3.62Å; R194-F218 HydrophobicContact CB-CZ 3.88Å; R194-F218 HydrophobicContact CG-CD2 4.47Å; R194-F218 HydrophobicContact CG-CE2 3.81Å; R194-F218 HydrophobicContact CG-CZ 4.34Å; R194-S459 PolarHBondContact N-O 3.38Å
195G79.7Confident89.7Confident7 Ų728.3 Ų28.37%0.07214%0.138CC..THydrogen-bonded Turntrans72.216.7-178.700000115.6F193F193-G195 PolarHBondContact O-N 3.45Å
196R85.4Confident89.6Confident119 Ų11927.4 Ų27.445%0.44913%0.133SC..EExtended strand (participates in β ladder)trans-121.3147.4174.5-56.7-174.3-173.3-154.27.7112R158 T159 L160 L192 F193 R194R158-R196 CarbonylContact O-C 3.56Å; R158-R196 WeakPolarHBondContact O-CA 3.46Å; R158-R196 WeakPolarHBondContact O-CB 3.45Å; T159-R196 WeakPolarHBondContact O-CD 3.36Å; L160-R196 HydrophobicContact CG-CB 4.32Å; L192-R196 CarbonylContact C-O 3.54Å; L192-R196 VanDerWaalsContact CA-O 3.27Å; L192-R196 WeakPolarHBondContact CA-O 3.17Å; F193-R196 PolarHBondContact N-O 3.03Å; F193-R196 PolarHBondContact O-N 3.23Å; R194-R196 VanDerWaalsContact C-N 3.32Å; R194-R196 PolarHBondContact O-N 3.4Å
197V89.1Confident89.5Confident9 Ų927 Ų276%0.05513%0.131CC..EExtended strand (participates in β ladder)trans-72.4126.6176.8-1780000111.2V157 R158 T159 L160 L192 T200 T207 M211V157-V197 HydrophobicContact CG1-CB 4.32Å; V157-V197 HydrophobicContact CG1-CG2 3.58Å; R158-V197 PolarHBondContact O-N 3.02Å; T159-V197 HydrophobicContact CG2-CB 4.46Å; L160-V197 PolarHBondContact N-O 2.93Å; L192-V197 HydrophobicContact CD2-CB 4.38Å; L192-V197 HydrophobicContact CD2-CG2 3.75Å; V197-T200 HydrophobicContact CG1-CG2 4.24Å; V197-T207 HydrophobicContact CG2-CG2 3.74Å; V197-M211 HydrophobicContact CG2-CE 3.99Å; V197-M211 HydrophobicContact CG2-CG 4.48Å; V197-M211 HydrophobicContact CG2-SD 3.56Å; V197-M211 VanDerWaalsContact CG2-SD 3.56Å
198V89.7Confident89.3Confident10 Ų1026.8 Ų26.86%0.06113%0.129CC..EExtended strand (participates in β ladder)trans-89.8-45.4167.4-168.20000110.2L160 L170 A173 I191 F193 L460 L495L160-V198 HydrophobicContact CD1-CB 4.3Å; L160-V198 HydrophobicContact CD1-CG1 4.26Å; L160-V198 HydrophobicContact CD1-CG2 3.83Å; L170-V198 HydrophobicContact CD2-CG1 4.2Å; A173-V198 HydrophobicContact CB-CB 4.49Å; A173-V198 HydrophobicContact CB-CG1 3.77Å; I191-V198 HydrophobicContact CB-CB 4.33Å; I191-V198 HydrophobicContact CG2-CB 4.03Å; I191-V198 HydrophobicContact CG2-CG2 3.91Å; I191-V198 WeakPolarHBondContact O-CB 3.42Å; I191-V198 PolarHBondContact O-N 3.02Å; F193-V198 HydrophobicContact CB-CG2 3.56Å; V198-L460 HydrophobicContact CG2-CD1 4.16Å; V198-L495 HydrophobicContact CG1-CD1 4.1Å; V198-L495 HydrophobicContact CG2-CD1 3.96Å
199S91.2Very high89.1Confident23 Ų2327 Ų2716%0.16113%0.13CC..EExtended strand (participates in β ladder)trans-158.1148.9179.1-169.20000109.5C190 I191C190-S199 CarbonylContact C-O 3.41Å; C190-S199 WeakPolarHBondContact CA-O 3.41Å; C190-S199 PolarHBondContact SG-O 2.88Å; I191-S199 PolarHBondContact N-O 3.15Å; I191-S199 PolarHBondContact O-N 3.46Å
200T92.3Very high89Confident51 Ų5127.1 Ų27.131%0.31313%0.131SC..EExtended strand (participates in β ladder)trans-146.8146.8176.4-173.40000110.5V197 M202 T207V197-T200 HydrophobicContact CG1-CG2 4.24Å; T200-M202 PolarHBondContact OG1-N 3Å; T200-M202 VanDerWaalsContact OG1-N 3.15Å; T200-T207 HydrophobicContact CG2-CG2 4.21Å; T200-T207 PolarHBondContact OG1-OG1 2.93Å
201Q91.6Very high88.6Confident47 Ų4727.2 Ų27.222%0.2213%0.131CC..SBendtrans-105.6-5.3170.2-65.8169-32.300112.1L177 Q181 A188 G189L177-Q201 HydrophobicContact CB-CG 4.2Å; L177-Q201 HydrophobicContact CD1-CG 4.28Å; L177-Q201 PolarHBondContact O-NE2 2.95Å; Q181-Q201 VanDerWaalsContact CD-CD 3.47Å; Q181-Q201 VanDerWaalsContact CD-NE2 3.34Å; Q181-Q201 VanDerWaalsContact CD-OE1 3.24Å; A188-Q201 HydrophobicContact CB-CB 4.02Å; G189-Q201 PolarHBondContact O-N 3.28Å
202M90.8Very high87.9Confident9 Ų927.2 Ų27.24%0.04413%0.131CC..SBendtrans-91.3151.9-179.8-67179.2-72.300110.5A188 C190 T200 L206 T207 V210 L252 L465A188-M202 HydrophobicContact CB-CG 3.72Å; C190-M202 HydrophobicContact CB-CE 3.49Å; C190-M202 VanDerWaalsContact CB-CE 3.49Å; T200-M202 PolarHBondContact OG1-N 3Å; T200-M202 VanDerWaalsContact OG1-N 3.15Å; M202-L206 HydrophobicContact CB-CB 4.31Å; M202-L206 HydrophobicContact CB-CD2 4.15Å; M202-L206 HydrophobicContact CB-CG 4.27Å; M202-L206 HydrophobicContact CG-CD2 4.01Å; M202-L206 HydrophobicContact CG-CG 4.39Å; M202-L206 HydrophobicContact SD-CD2 3.94Å; M202-L206 HydrophobicContact SD-CG 3.94Å; M202-T207 PolarHBondContact O-OG1 3.38Å; M202-V210 HydrophobicContact CE-CB 4.32Å; M202-V210 HydrophobicContact CE-CG1 4.32Å; M202-V210 HydrophobicContact CE-CG2 4.04Å; M202-V210 HydrophobicContact SD-CG2 4.17Å; M202-L252 HydrophobicContact CG-CD2 4.32Å; M202-L465 HydrophobicContact SD-CB 4.37Å; M202-L465 HydrophobicContact SD-CD2 4.44Å
203P89.9Confident87Confident22 Ų2229.5 Ų29.514%0.14314%0.142CC..  trans-62.3160.7172.228.4-34000110.9Q205 L206 T207 Y251P203-Q205 VanDerWaalsContact C-N 3.33Å; P203-Q205 PolarHBondContact O-N 2.64Å; P203-L206 HydrophobicContact CG-CB 3.93Å; P203-L206 PolarHBondContact O-N 3.03Å; P203-T207 PolarHBondContact O-N 3.42Å; P203-T207 PolarHBondContact O-OG1 3.3Å; P203-Y251 HydrophobicContact CB-CD1 4.39Å; P203-Y251 HydrophobicContact CB-CE1 4Å; P203-Y251 HydrophobicContact CG-CD1 3.96Å; P203-Y251 HydrophobicContact CG-CE1 4Å
204P87.6Confident86.1Confident18 Ų1829.7 Ų29.712%0.11714%0.143CC..Hα-helixtrans-57.6-43-173.5-25.834.7000113.4V157 L206 T207 I208 V517 Q518 S519V157-P204 HydrophobicContact CG2-CB 3.91Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 3.17Å; P204-T207 PolarHBondContact O-N 3.28Å; P204-T207 VanDerWaalsContact O-N 3.15Å; P204-I208 WeakPolarHBondContact O-CG1 3.36Å; P204-I208 PolarHBondContact O-N 3.39Å; P204-V517 WeakPolarHBondContact CG-O 3.36Å; P204-Q518 VanDerWaalsContact CG-O 3.27Å; P204-Q518 WeakPolarHBondContact CG-O 3.17Å; P204-S519 WeakPolarHBondContact CB-OG 3.21Å
205Q86.6Confident85Confident108 Ų10825.4 Ų25.451%0.50513%0.128SC..Hα-helixtrans-60.3-37.9-178.7-58.378.76.300111.8P203 K209P203-Q205 VanDerWaalsContact C-N 3.33Å; P203-Q205 PolarHBondContact O-N 2.64Å; Q205-K209 WeakPolarHBondContact O-CG 3.37Å
206L89.9Confident84Confident0 Ų027.7 Ų27.70%014%0.137CC..Hα-helixtrans-80.8-34.2176.7-174.461.2000112.4F115 M202 P203 P204 I208 K209 V210 L244 L252 L465F115-L206 HydrophobicContact CD2-CD1 4.07Å; F115-L206 HydrophobicContact CE2-CD1 3.58Å; F115-L206 HydrophobicContact CZ-CD1 4.23Å; M202-L206 HydrophobicContact CB-CB 4.31Å; M202-L206 HydrophobicContact CB-CD2 4.15Å; M202-L206 HydrophobicContact CB-CG 4.27Å; M202-L206 HydrophobicContact CG-CD2 4.01Å; M202-L206 HydrophobicContact CG-CG 4.39Å; M202-L206 HydrophobicContact SD-CD2 3.94Å; M202-L206 HydrophobicContact SD-CG 3.94Å; P203-L206 HydrophobicContact CG-CB 3.93Å; P203-L206 PolarHBondContact O-N 3.03Å; P204-L206 VanDerWaalsContact C-N 3.28Å; P204-L206 PolarHBondContact O-N 3.17Å; L206-I208 VanDerWaalsContact C-N 3.33Å; L206-I208 PolarHBondContact O-N 2.88Å; L206-K209 HydrophobicContact CD1-CD 3.92Å; L206-K209 WeakPolarHBondContact O-CB 3.32Å; L206-K209 PolarHBondContact O-N 3.13Å; L206-V210 PolarHBondContact O-N 2.89Å; L206-L244 HydrophobicContact CD1-CD2 3.87Å; L206-L244 HydrophobicContact CD2-CD2 4.41Å; L206-L252 HydrophobicContact CD2-CD1 3.89Å; L206-L252 HydrophobicContact CD2-CD2 4.37Å; L206-L252 HydrophobicContact CD2-CG 4.47Å; L206-L465 HydrophobicContact CD2-CD2 4Å
207T90.8Very high82.8Confident1 Ų124.9 Ų24.91%0.00613%0.133CC..Hα-helixtrans-60.8-42.8174.4-59.50000110.9V157 V197 T200 M202 P203 P204 V210 M211V157-T207 HydrophobicContact CG1-CG2 4.3Å; V197-T207 HydrophobicContact CG2-CG2 3.74Å; T200-T207 HydrophobicContact CG2-CG2 4.21Å; T200-T207 PolarHBondContact OG1-OG1 2.93Å; M202-T207 PolarHBondContact O-OG1 3.38Å; P203-T207 PolarHBondContact O-N 3.42Å; P203-T207 PolarHBondContact O-OG1 3.3Å; P204-T207 PolarHBondContact O-N 3.28Å; P204-T207 VanDerWaalsContact O-N 3.15Å; T207-V210 PolarHBondContact O-N 2.87Å; T207-M211 HydrophobicContact CG2-SD 4.23Å; T207-M211 VanDerWaalsContact O-CG 3.3Å; T207-M211 WeakPolarHBondContact O-CG 3.35Å; T207-M211 PolarHBondContact O-N 3.41Å
208I86.8Confident81.3Confident27 Ų2727.1 Ų27.114%0.13814%0.142CC..Hα-helixtrans-64.4-43.2177.5-59.5164.4000111.2H108 V157 P204 L206 V210 M211H108-I208 WeakPolarHBondContact CE1-CG2 3.34Å; H108-I208 WeakPolarHBondContact NE2-CG2 3.48Å; V157-I208 HydrophobicContact CG2-CD1 4.04Å; V157-I208 HydrophobicContact CG2-CG1 3.85Å; P204-I208 WeakPolarHBondContact O-CG1 3.36Å; P204-I208 PolarHBondContact O-N 3.39Å; L206-I208 VanDerWaalsContact C-N 3.33Å; L206-I208 PolarHBondContact O-N 2.88Å; I208-V210 VanDerWaalsContact C-N 3.25Å; I208-V210 PolarHBondContact O-N 3.12Å; I208-M211 WeakPolarHBondContact O-CB 3.42Å; I208-M211 PolarHBondContact O-N 3.35Å
209K89.6Confident79.7Confident7 Ų729.4 Ų29.43%0.0316%0.156CC..Hα-helixtrans-52.3-43.6174.8-72.6169.8170.2-176.90111.9N111 F115 Y116 Q205 L206 M211 V212 E248N111-K209 VanDerWaalsContact O-CE 3.32Å; N111-K209 WeakPolarHBondContact O-CE 3.2Å; F115-K209 HydrophobicContact CB-CD 3.81Å; F115-K209 HydrophobicContact CB-CG 4.32Å; F115-K209 HydrophobicContact CD1-CB 3.8Å; F115-K209 HydrophobicContact CD1-CD 4.34Å; F115-K209 HydrophobicContact CD1-CG 4.38Å; F115-K209 HydrophobicContact CD2-CD 3.84Å; F115-K209 HydrophobicContact CE1-CB 3.97Å; F115-K209 HydrophobicContact CG-CB 4.07Å; F115-K209 HydrophobicContact CG-CD 3.74Å; F115-K209 HydrophobicContact CG-CG 4.24Å; F115-K209 HydrophobicContact CZ-CB 4.41Å; Y116-K209 PolarHBondContact OH-O 3.01Å; Q205-K209 WeakPolarHBondContact O-CG 3.37Å; L206-K209 HydrophobicContact CD1-CD 3.92Å; L206-K209 WeakPolarHBondContact O-CB 3.32Å; L206-K209 PolarHBondContact O-N 3.13Å; K209-M211 VanDerWaalsContact C-N 3.35Å; K209-M211 PolarHBondContact O-N 2.78Å; K209-V212 VanDerWaalsContact O-CG2 3.28Å; K209-V212 WeakPolarHBondContact O-CG2 3.47Å; K209-E248 VanDerWaalsContact NZ-CD 3.3Å; K209-E248 IonicContact NZ-OE1 2.88Å; K209-E248 PolarHBondContact NZ-OE1 2.69Å; K209-E248 IonicContact NZ-OE2 3.73Å; K209-E248 PolarHBondContact NZ-OE2 3.13Å; K209-E248 VanDerWaalsContact NZ-OE2 3.13Å
210V88.9Confident78Confident1 Ų136 Ų361%0.00618%0.182CC..Hα-helixtrans-71.7-23.6179.8170.30000113.4F115 M202 L206 T207 I208 V212 L452 A463F115-V210 HydrophobicContact CE1-CG2 4.38Å; F115-V210 HydrophobicContact CZ-CG2 3.97Å; M202-V210 HydrophobicContact CE-CB 4.32Å; M202-V210 HydrophobicContact CE-CG1 4.32Å; M202-V210 HydrophobicContact CE-CG2 4.04Å; M202-V210 HydrophobicContact SD-CG2 4.17Å; L206-V210 PolarHBondContact O-N 2.89Å; T207-V210 PolarHBondContact O-N 2.87Å; I208-V210 VanDerWaalsContact C-N 3.25Å; I208-V210 PolarHBondContact O-N 3.12Å; V210-V212 PolarHBondContact O-N 3.01Å; V210-L452 HydrophobicContact CG1-CD1 3.96Å; V210-L452 HydrophobicContact CG1-CD2 4.32Å; V210-L452 HydrophobicContact CG2-CD1 3.9Å; V210-L452 HydrophobicContact CG2-CD2 4.34Å; V210-A463 HydrophobicContact CG1-CB 3.61Å
211M84.9Confident76Confident4 Ų436.8 Ų36.82%0.0219%0.187CC..THydrogen-bonded Turntrans-75.30.3-178.2-72.1172.373.800114.9H142 V157 R158 L192 V197 T207 I208 K209 S215H142-M211 PolarHBondContact CE1-O 3.29Å; V157-M211 HydrophobicContact CG1-SD 4.13Å; R158-M211 HydrophobicContact CB-CE 3.93Å; R158-M211 HydrophobicContact CG-CE 4.41Å; L192-M211 HydrophobicContact CD1-CG 4.17Å; L192-M211 HydrophobicContact CD2-CG 3.81Å; L192-M211 HydrophobicContact CD2-SD 4.44Å; V197-M211 HydrophobicContact CG2-CE 3.99Å; V197-M211 HydrophobicContact CG2-CG 4.48Å; V197-M211 HydrophobicContact CG2-SD 3.56Å; V197-M211 VanDerWaalsContact CG2-SD 3.56Å; T207-M211 HydrophobicContact CG2-SD 4.23Å; T207-M211 VanDerWaalsContact O-CG 3.3Å; T207-M211 WeakPolarHBondContact O-CG 3.35Å; T207-M211 PolarHBondContact O-N 3.41Å; I208-M211 WeakPolarHBondContact O-CB 3.42Å; I208-M211 PolarHBondContact O-N 3.35Å; K209-M211 VanDerWaalsContact C-N 3.35Å; K209-M211 PolarHBondContact O-N 2.78Å; M211-S215 WeakPolarHBondContact O-CB 3.37Å; M211-S215 PolarHBondContact O-N 2.85Å; M211-S215 VanDerWaalsContact O-N 3.12Å; M211-S215 PolarHBondContact O-OG 3.4Å
212V79.3Confident74Confident0 Ų040.5 Ų40.50%020%0.204CC..Hα-helixtrans-66.5-60.8-171173.90000112.7L112 Y116 Y139 H142 K209 V210 E214 S215 E216L112-V212 HydrophobicContact CD1-CG2 3.61Å; L112-V212 HydrophobicContact CD2-CG2 3.86Å; L112-V212 HydrophobicContact CG-CG2 4.41Å; Y116-V212 HydrophobicContact CE2-CB 4.17Å; Y116-V212 HydrophobicContact CE2-CG2 4.4Å; Y139-V212 HydrophobicContact CD1-CG1 4.3Å; H142-V212 HydrophobicContact CB-CG1 4.34Å; H142-V212 HydrophobicContact CB-CG2 4.45Å; K209-V212 VanDerWaalsContact O-CG2 3.28Å; K209-V212 WeakPolarHBondContact O-CG2 3.47Å; V210-V212 PolarHBondContact O-N 3.01Å; V212-E214 VanDerWaalsContact C-N 3.29Å; V212-E214 PolarHBondContact O-N 2.9Å; V212-S215 PolarHBondContact O-N 3.37Å; V212-E216 PolarHBondContact O-N 3.19Å
213H72.1Confident71.6Confident50 Ų5050.5 Ų50.523%0.23124%0.241CC..Hα-helixtrans-60.2-35.8-178.3-64.9-69.7000113.1Y116 T217 M454Y116-H213 AromaticContact CD1-NE2 3.96Å; Y116-H213 AromaticContact CE1-CD2 3.82Å; Y116-H213 AromaticContact CE1-NE2 3.28Å; Y116-H213 VanDerWaalsContact CE1-NE2 3.28Å; Y116-H213 WeakPolarHBondContact CE1-NE2 3.16Å; Y116-H213 AromaticContact CZ-CD2 3.74Å; Y116-H213 AromaticContact CZ-NE2 3.54Å; Y116-H213 PolarHBondContact OH-CD2 3.18Å; H213-T217 WeakPolarHBondContact O-CB 3.34Å; H213-T217 PolarHBondContact O-N 3.32Å; H213-T217 PolarHBondContact O-OG1 2.98Å; H213-M454 HydrophobicContact CB-CE 4.23Å
214E68.9Low69.4Low12 Ų1251.8 Ų51.86%0.05625%0.251CS..Hα-helixtrans-73.5-32.8179-83.2-52.5114.900113.8L192 V212 E216 F218 R456 V461L192-E214 HydrophobicContact CD1-CB 3.94Å; L192-E214 HydrophobicContact CD1-CG 3.87Å; V212-E214 VanDerWaalsContact C-N 3.29Å; V212-E214 PolarHBondContact O-N 2.9Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 3.12Å; E214-F218 VanDerWaalsContact O-CB 3.27Å; E214-F218 WeakPolarHBondContact O-CB 3.46Å; E214-F218 PolarHBondContact O-N 2.79Å; E214-R456 IonicContact OE1-CZ 3.74Å; E214-R456 IonicContact OE1-NH1 3.96Å; E214-R456 PolarHBondContact OE1-NH1 3.04Å; E214-R456 IonicContact OE2-CZ 2.69Å; E214-R456 IonicContact OE2-NH1 3.74Å; E214-R456 PolarHBondContact OE2-NH1 2.81Å; E214-R456 IonicContact OE2-NH2 2.78Å; E214-R456 PolarHBondContact OE2-NH2 2.94Å; E214-V461 HydrophobicContact CG-CB 4.1Å; E214-V461 HydrophobicContact CG-CG1 4.23Å; E214-V461 HydrophobicContact CG-CG2 4.02Å; E214-V461 WeakPolarHBondContact OE2-CG2 3.47Å
215S60.4Low66.9Low9 Ų955.9 Ų55.96%0.06328%0.28CS..Hα-helixtrans-63.4-39.5175.5-63.90000111.7H142 R158 M211 V212 T219H142-S215 PolarHBondContact CE1-OG 3.15Å; H142-S215 WeakPolarHBondContact ND1-CB 3.47Å; H142-S215 PolarHBondContact ND1-OG 3.23Å; R158-S215 PolarHBondContact NH1-OG 2.77Å; M211-S215 WeakPolarHBondContact O-CB 3.37Å; M211-S215 PolarHBondContact O-N 2.85Å; M211-S215 VanDerWaalsContact O-N 3.12Å; M211-S215 PolarHBondContact O-OG 3.4Å; V212-S215 PolarHBondContact O-N 3.37Å; S215-T219 WeakPolarHBondContact O-CB 3.11Å; S215-T219 VanDerWaalsContact O-CG2 3.28Å; S215-T219 WeakPolarHBondContact O-CG2 3.28Å; S215-T219 PolarHBondContact O-N 2.84Å; S215-T219 VanDerWaalsContact O-N 3.12Å; S215-T219 PolarHBondContact O-OG1 3.35Å
216E58.8Low64.7Low55 Ų5553.8 Ų53.826%0.25729%0.287SS..Hα-helixtrans-75.6-44.8178.2-62.1-139.4138.600112.1R138 S141 V212 E214 F218 T219 K220R138-E216 WeakPolarHBondContact CD-OE2 3.47Å; R138-E216 HydrophobicContact CG-CG 4.49Å; R138-E216 VanDerWaalsContact CG-OE1 3.31Å; R138-E216 WeakPolarHBondContact CG-OE1 3.28Å; R138-E216 WeakPolarHBondContact CG-OE2 3.46Å; R138-E216 IonicContact NE-OE2 3.99Å; S141-E216 PolarHBondContact OG-OE1 3.33Å; V212-E216 PolarHBondContact O-N 3.19Å; E214-E216 VanDerWaalsContact C-N 3.3Å; E214-E216 PolarHBondContact O-N 3.12Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.02Å; E216-T219 PolarHBondContact O-N 3.19Å; E216-T219 PolarHBondContact O-OG1 2.94Å; E216-K220 VanDerWaalsContact O-CB 3.24Å; E216-K220 WeakPolarHBondContact O-CB 3.42Å; E216-K220 PolarHBondContact O-N 2.8Å
217T59.6Low62.4Low60 Ų6060.7 Ų60.737%0.36833%0.33SS..Hα-helixtrans-57.7-46.5177.4-56.40000110.8H213 T221H213-T217 WeakPolarHBondContact O-CB 3.34Å; H213-T217 PolarHBondContact O-N 3.32Å; H213-T217 PolarHBondContact O-OG1 2.98Å; T217-T221 PolarHBondContact O-N 3.23Å; T217-T221 VanDerWaalsContact O-N 3.08Å; T217-T221 PolarHBondContact O-OG1 3.47Å; T217-T221 VanDerWaalsContact O-OG1 3.06Å
218F57.6Low59.6Low56 Ų5664.8 Ų64.825%0.24636%0.358CS..Hα-helixtrans-66.9-45.2177.7-176.4-100000113.2R194 E214 E216 K220 T221 Q222R194-F218 HydrophobicContact CB-CD2 4.1Å; R194-F218 HydrophobicContact CB-CE2 3.62Å; R194-F218 HydrophobicContact CB-CZ 3.88Å; R194-F218 HydrophobicContact CG-CD2 4.47Å; R194-F218 HydrophobicContact CG-CE2 3.81Å; R194-F218 HydrophobicContact CG-CZ 4.34Å; E214-F218 VanDerWaalsContact O-CB 3.27Å; E214-F218 WeakPolarHBondContact O-CB 3.46Å; E214-F218 PolarHBondContact O-N 2.79Å; E216-F218 VanDerWaalsContact C-N 3.32Å; E216-F218 PolarHBondContact O-N 3.02Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.25Å; F218-T221 PolarHBondContact O-N 3.29Å; F218-Q222 WeakPolarHBondContact O-CB 3.49Å; F218-Q222 PolarHBondContact O-N 2.96Å
219T56.2Low56.8Low57 Ų5769.3 Ų69.335%0.3539%0.387SS..Hα-helixtrans-68.7-30.7-179.851.50000112.8S215 E216 Q222 R223S215-T219 WeakPolarHBondContact O-CB 3.11Å; S215-T219 VanDerWaalsContact O-CG2 3.28Å; S215-T219 WeakPolarHBondContact O-CG2 3.28Å; S215-T219 PolarHBondContact O-N 2.84Å; S215-T219 VanDerWaalsContact O-N 3.12Å; S215-T219 PolarHBondContact O-OG1 3.35Å; E216-T219 PolarHBondContact O-N 3.19Å; E216-T219 PolarHBondContact O-OG1 2.94Å; T219-Q222 PolarHBondContact O-N 2.78Å; T219-R223 WeakPolarHBondContact O-CG 3.28Å; T219-R223 PolarHBondContact O-N 2.99Å
220K56Low54.2Low162 Ų16274 Ų7470%0.70442%0.418SS*.Hα-helixtrans-63.2-50.4169.7-172.3174.9-178.8178.40110.9E216 F218 Q222 R223 S224E216-K220 VanDerWaalsContact O-CB 3.24Å; E216-K220 WeakPolarHBondContact O-CB 3.42Å; E216-K220 PolarHBondContact O-N 2.8Å; F218-K220 VanDerWaalsContact C-N 3.32Å; F218-K220 PolarHBondContact O-N 3.25Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 3.01Å; K220-R223 PolarHBondContact O-N 3.1Å; K220-S224 PolarHBondContact O-N 2.79Å; K220-S224 PolarHBondContact O-OG 3.19Å
221T50.3Low51.6Low68 Ų6879.4 Ų79.442%0.41745%0.454SS..Hα-helixtrans-59.7-36.7175.5-58.30000112.6T217 F218 S224 S225T217-T221 PolarHBondContact O-N 3.23Å; T217-T221 VanDerWaalsContact O-N 3.08Å; T217-T221 PolarHBondContact O-OG1 3.47Å; T217-T221 VanDerWaalsContact O-OG1 3.06Å; F218-T221 PolarHBondContact O-N 3.29Å; T221-S224 WeakPolarHBondContact CA-OG 3.39Å; T221-S224 PolarHBondContact O-N 2.73Å; T221-S224 PolarHBondContact O-OG 2.93Å; T221-S224 VanDerWaalsContact O-OG 3.07Å; T221-S225 PolarHBondContact O-N 3.19Å
222Q48.7Very low49.2Very low125 Ų12584.8 Ų84.858%0.58449%0.492SS*.Hα-helixtrans-69.2-37.5177.3-166.9176.411.200112.3F218 T219 K220 S225F218-Q222 WeakPolarHBondContact O-CB 3.49Å; F218-Q222 PolarHBondContact O-N 2.96Å; T219-Q222 PolarHBondContact O-N 2.78Å; K220-Q222 VanDerWaalsContact C-N 3.28Å; K220-Q222 PolarHBondContact O-N 3.01Å; Q222-S225 VanDerWaalsContact O-CB 3.26Å; Q222-S225 WeakPolarHBondContact O-CB 3.19Å; Q222-S225 PolarHBondContact O-N 2.8Å
223R41.8Very low47.3Very low218 Ų21892.5 Ų92.582%0.82353%0.533SS*.Hα-helixtrans-70.5-33174.7-72.2178.3-172.81655.8112.7T219 K220 S225T219-R223 WeakPolarHBondContact O-CG 3.28Å; T219-R223 PolarHBondContact O-N 2.99Å; K220-R223 PolarHBondContact O-N 3.1Å; R223-S225 PolarHBondContact O-N 3.44Å
224S43.8Very low45.8Very low50 Ų5093.4 Ų93.435%0.3556%0.556SS.*THydrogen-bonded Turntrans-799.1174.164.50000114.2K220 T221 G226K220-S224 PolarHBondContact O-N 2.79Å; K220-S224 PolarHBondContact O-OG 3.19Å; T221-S224 WeakPolarHBondContact CA-OG 3.39Å; T221-S224 PolarHBondContact O-N 2.73Å; T221-S224 PolarHBondContact O-OG 2.93Å; T221-S224 VanDerWaalsContact O-OG 3.07Å; S224-G226 PolarHBondContact O-N 3.27Å; S224-G226 VanDerWaalsContact O-N 3.07Å
225S34.4Very low45Very low104 Ų10495.4 Ų95.473%0.72758%0.58SS**THydrogen-bonded Turntrans-67.2-2.7175.9-168.70000113.8T221 Q222 R223T221-S225 PolarHBondContact O-N 3.19Å; Q222-S225 VanDerWaalsContact O-CB 3.26Å; Q222-S225 WeakPolarHBondContact O-CB 3.19Å; Q222-S225 PolarHBondContact O-N 2.8Å; R223-S225 PolarHBondContact O-N 3.44Å
226G40.4Very low45.5Very low63 Ų6399.5 Ų99.565%0.64960%0.601SS**SBendtrans-9483.6164.200000111.7S224S224-G226 PolarHBondContact O-N 3.27Å; S224-G226 VanDerWaalsContact O-N 3.07Å
227T41.7Very low46.6Very low146 Ų14699.7 Ų99.790%0.89661%0.605SS**SBendtrans61.967.2162.7-40.40000116.9
228S30.6Very low47.9Very low86 Ų8699.4 Ų99.460%0.60161%0.605SS**  trans-150.3155.8153.863.60000113.5
229T29.7Very low49.3Very low122 Ų12299.2 Ų99.275%0.74861%0.611SS**  trans-45148.2176.8-43.60000113.5
230P33.7Very low51Low106 Ų10698.5 Ų98.569%0.68861%0.607SS**  trans-52.6148.2166.323.3-35.4000111.5S232P230-S232 PolarHBondContact O-N 3.33Å
231P34.8Very low52.7Low115 Ų11594.1 Ų94.175%0.74760%0.601SS**  trans-60.7130.4-175.725-34000111.2D233P231-D233 PolarHBondContact O-N 3.38Å
232S34.8Very low54.7Low117 Ų11790.9 Ų90.982%0.81858%0.581SS**  trans-68.2110.7-175.8-175.90000111.9P230 G234P230-S232 PolarHBondContact O-N 3.33Å; S232-G234 PolarHBondContact O-N 2.94Å
233D39.3Very low56.9Low161 Ų16187.4 Ų87.486%0.86156%0.564SS**  trans44.329.7149.5-125.312.6000118.2P231 G235P231-D233 PolarHBondContact O-N 3.38Å; D233-G235 PolarHBondContact O-N 3.14Å
234G39.4Very low59.3Low70 Ų7077 Ų7772%0.72253%0.525SS*.  trans-65.4117.5161.500000108.2S232S232-G234 PolarHBondContact O-N 2.94Å
235G54.1Low61.6Low54 Ų5476.1 Ų76.156%0.55752%0.517SS*.  trans-48.7143.3-164.500000114.9D233 V237D233-G235 PolarHBondContact O-N 3.14Å; G235-V237 PolarHBondContact O-N 3.04Å
236L69.9Low64.2Low95 Ų9573.8 Ų73.850%0.49750%0.5SS..SBendtrans-50-25.3177.8-16181.1000113.3H455 R456 L485L236-H455 WeakPolarHBondContact CD2-NE2 3.37Å; L236-H455 CarbonylContact O-C 3.6Å; L236-H455 WeakPolarHBondContact O-CA 3.47Å; L236-R456 WeakPolarHBondContact CD1-O 3.47Å; L236-R456 WeakPolarHBondContact CG-O 3.15Å; L236-R456 PolarHBondContact O-N 3.22Å; L236-L485 HydrophobicContact CD2-CD1 4.1Å
237V82.4Confident66.5Low58 Ų5874.6 Ų74.635%0.35250%0.495SS..EExtended strand (participates in β ladder)trans-123.8135.8-179.6168.40000109.3G235 Y453 M454 H455G235-V237 PolarHBondContact O-N 3.04Å; V237-Y453 HydrophobicContact CB-CE2 4.47Å; V237-Y453 HydrophobicContact CG1-CD2 4.09Å; V237-Y453 HydrophobicContact CG1-CE2 3.33Å; V237-Y453 HydrophobicContact CG2-CE2 4.36Å; V237-Y453 WeakPolarHBondContact CG2-OH 3.27Å; V237-M454 CarbonylContact C-O 3.6Å; V237-M454 WeakPolarHBondContact CA-O 3.33Å; V237-H455 HydrophobicContact CG2-CB 4.39Å
238S86.8Confident68.8Low54 Ų5468.9 Ų68.938%0.37846%0.458SS..EExtended strand (participates in β ladder)trans-137161.1170.657.50000110.4M454S238-M454 PolarHBondContact N-O 3.27Å; S238-M454 PolarHBondContact O-N 2.86Å
239S87.3Confident71.6Confident52 Ų5265.8 Ų65.836%0.36444%0.435SS..EExtended strand (participates in β ladder)trans-140140.2177.2-171.80000109.8L452 M471S239-L452 WeakPolarHBondContact CA-O 3.27Å; S239-M471 PolarHBondContact OG-SD 2.96Å
240T90.8Very high74.4Confident42 Ų4266.6 Ų66.626%0.25843%0.43SS..EExtended strand (participates in β ladder)trans-132.2132.3-177.9-54.30000109.2Y116 L452Y116-T240 HydrophobicContact CD1-CG2 4.11Å; Y116-T240 HydrophobicContact CE1-CG2 4.1Å; T240-L452 PolarHBondContact N-O 2.98Å; T240-L452 PolarHBondContact O-N 3.27Å
241A91.2Very high77Confident70 Ų7066.2 Ų66.258%0.57942%0.416SS*.EExtended strand (participates in β ladder)trans-67.3134.3173.200000109.7
242V94Very high79.6Confident0 Ų061.3 Ų61.30%038%0.383CS..EExtended strand (participates in β ladder)trans-140.1165.5179.6-63.60000110.8F115 Y116 M450 L452 L465F115-V242 HydrophobicContact CD1-CB 4.45Å; F115-V242 HydrophobicContact CD1-CG1 4.24Å; F115-V242 HydrophobicContact CD2-CB 4.31Å; F115-V242 HydrophobicContact CE1-CB 4.06Å; F115-V242 HydrophobicContact CE1-CG1 3.67Å; F115-V242 HydrophobicContact CE2-CB 3.88Å; F115-V242 HydrophobicContact CE2-CG1 4.37Å; F115-V242 HydrophobicContact CE2-CG2 4.11Å; F115-V242 HydrophobicContact CZ-CB 3.75Å; F115-V242 HydrophobicContact CZ-CG1 3.74Å; F115-V242 HydrophobicContact CZ-CG2 4.03Å; F115-V242 CarbonylContact O-C 3.55Å; F115-V242 WeakPolarHBondContact O-CA 3.38Å; F115-V242 WeakPolarHBondContact O-CB 3.32Å; Y116-V242 HydrophobicContact CD1-CG1 3.81Å; Y116-V242 HydrophobicContact CE1-CG1 3.72Å; V242-M450 HydrophobicContact CG2-CB 4.02Å; V242-M450 PolarHBondContact N-O 2.85Å; V242-M450 PolarHBondContact O-N 2.79Å; V242-L452 HydrophobicContact CG1-CB 3.74Å; V242-L452 HydrophobicContact CG1-CD2 4.38Å; V242-L452 HydrophobicContact CG2-CB 4.04Å; V242-L465 HydrophobicContact CG2-CD1 3.66Å
243F94.1Very high81.9Confident53 Ų5361.8 Ų61.823%0.23237%0.373CS..EExtended strand (participates in β ladder)trans-133.3127.4-170.4-64.3-88.6000110.7C114 F115 G118 L447 V448 P449C114-F243 WeakPolarHBondContact O-CB 3.48Å; F115-F243 WeakPolarHBondContact CA-O 3.33Å; F115-F243 VanDerWaalsContact CD2-O 3.28Å; F115-F243 WeakPolarHBondContact CD2-O 3.37Å; F115-F243 PolarHBondContact O-N 3.43Å; G118-F243 VanDerWaalsContact N-CD2 3.28Å; F243-L447 HydrophobicContact CB-CB 4.19Å; F243-L447 HydrophobicContact CB-CD1 4.44Å; F243-L447 HydrophobicContact CD1-CB 4.36Å; F243-V448 WeakPolarHBondContact CA-O 3.45Å; F243-P449 HydrophobicContact CD1-CB 4.32Å; F243-P449 HydrophobicContact CE1-CB 4.15Å
244L92.9Very high83.9Confident0 Ų056 Ų560%034%0.344CS..EExtended strand (participates in β ladder)trans-106.3150.3178.2-60-179.8000111.6F115 L206 E248 L249 L252 L447 V448 M450 L465F115-L244 HydrophobicContact CD2-CD2 4.15Å; F115-L244 HydrophobicContact CE2-CD2 3.83Å; L206-L244 HydrophobicContact CD1-CD2 3.87Å; L206-L244 HydrophobicContact CD2-CD2 4.41Å; L244-E248 HydrophobicContact CB-CB 4.36Å; L244-E248 HydrophobicContact CD2-CB 4.5Å; L244-L249 HydrophobicContact CD1-CB 4.23Å; L244-L249 HydrophobicContact CD1-CD1 4.15Å; L244-L252 HydrophobicContact CD1-CD1 4.27Å; L244-L447 CarbonylContact O-C 3.57Å; L244-L447 WeakPolarHBondContact O-CA 3.4Å; L244-V448 PolarHBondContact N-O 2.9Å; L244-V448 PolarHBondContact O-N 2.9Å; L244-M450 HydrophobicContact CD1-CG 3.79Å; L244-M450 HydrophobicContact CG-CG 4.04Å; L244-L465 HydrophobicContact CD1-CD2 3.84Å; L244-L465 HydrophobicContact CD2-CD1 4.47Å; L244-L465 HydrophobicContact CD2-CD2 4.05Å; L244-L465 HydrophobicContact CG-CD2 4.48Å
245T91.6Very high84.9Confident30 Ų3054.9 Ų54.918%0.18433%0.328CS..  trans-69.4153.9160.171.80000110.2S247 E248 L249 L447T245-S247 PolarHBondContact O-N 2.82Å; T245-S247 PolarHBondContact OG1-OG 2.79Å; T245-E248 PolarHBondContact N-OE2 3.07Å; T245-E248 VanDerWaalsContact N-OE2 3.09Å; T245-E248 PolarHBondContact O-N 3.47Å; T245-E248 WeakPolarHBondContact OG1-CG 3.47Å; T245-E248 PolarHBondContact OG1-N 2.72Å; T245-L249 PolarHBondContact O-N 2.96Å; T245-L249 VanDerWaalsContact O-N 3.07Å; T245-L447 HydrophobicContact CG2-CD2 4.21Å
246P88.8Confident85.1Confident56 Ų5657.3 Ų57.336%0.36434%0.335SS..Hα-helixtrans-55.9-32.9172.8-28.236.4000113.4Q250P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.27Å; P246-Q250 PolarHBondContact O-N 3.1Å
247S88.3Confident84Confident79 Ų7958.2 Ų58.255%0.55234%0.343SS*.Hα-helixtrans-71.7-38.1177.148.70000113.5T245 Y251T245-S247 PolarHBondContact O-N 2.82Å; T245-S247 PolarHBondContact OG1-OG 2.79Å; S247-Y251 WeakPolarHBondContact O-CB 3.37Å; S247-Y251 PolarHBondContact O-N 2.64Å
248E90.7Very high82.1Confident27 Ų2759.7 Ų59.713%0.12635%0.35CS..Hα-helixtrans-62.6-46.3171.4-74.7175.2134.700110.6K209 L244 T245 Y251 L252K209-E248 VanDerWaalsContact NZ-CD 3.3Å; K209-E248 IonicContact NZ-OE1 2.88Å; K209-E248 PolarHBondContact NZ-OE1 2.69Å; K209-E248 IonicContact NZ-OE2 3.73Å; K209-E248 PolarHBondContact NZ-OE2 3.13Å; K209-E248 VanDerWaalsContact NZ-OE2 3.13Å; L244-E248 HydrophobicContact CB-CB 4.36Å; L244-E248 HydrophobicContact CD2-CB 4.5Å; T245-E248 PolarHBondContact N-OE2 3.07Å; T245-E248 VanDerWaalsContact N-OE2 3.09Å; T245-E248 PolarHBondContact O-N 3.47Å; T245-E248 WeakPolarHBondContact OG1-CG 3.47Å; T245-E248 PolarHBondContact OG1-N 2.72Å; E248-Y251 PolarHBondContact O-N 3.08Å; E248-L252 WeakPolarHBondContact O-CG 3.31Å; E248-L252 PolarHBondContact O-N 2.86Å
249L89.3Confident80.3Confident20 Ų2059.3 Ų59.311%0.10534%0.341CS..Hα-helixtrans-62.7-45.4178.3-17859.2000112.2L187 L244 T245 Y251 L252 Q253 V448 M450L187-L249 HydrophobicContact CD1-CD1 3.69Å; L244-L249 HydrophobicContact CD1-CB 4.23Å; L244-L249 HydrophobicContact CD1-CD1 4.15Å; T245-L249 PolarHBondContact O-N 2.96Å; T245-L249 VanDerWaalsContact O-N 3.07Å; L249-Y251 PolarHBondContact O-N 3.43Å; L249-L252 PolarHBondContact O-N 2.59Å; L249-Q253 HydrophobicContact CD1-CG 4.14Å; L249-Q253 HydrophobicContact CG-CG 4.45Å; L249-Q253 WeakPolarHBondContact O-CB 3.3Å; L249-Q253 WeakPolarHBondContact O-CG 3.24Å; L249-Q253 PolarHBondContact O-N 3.14Å; L249-V448 HydrophobicContact CD2-CB 4.14Å; L249-V448 HydrophobicContact CD2-CG1 3.92Å; L249-V448 HydrophobicContact CD2-CG2 4.03Å; L249-M450 HydrophobicContact CD1-CE 3.94Å; L249-M450 HydrophobicContact CD2-CE 4.05Å
250Q89.3Confident78.2Confident139 Ų13963.4 Ų63.465%0.6536%0.357SS*.Hα-helixtrans-61.3-42.2176.3-174.2-178.18.800111.8P246 L252 Q253 S254P246-Q250 VanDerWaalsContact O-CB 3.31Å; P246-Q250 WeakPolarHBondContact O-CB 3.27Å; P246-Q250 PolarHBondContact O-N 3.1Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 2.78Å; Q250-Q253 PolarHBondContact O-N 2.86Å; Q250-S254 PolarHBondContact O-N 3.46Å
251Y87.8Confident75.5Confident99 Ų9964.9 Ų64.939%0.38837%0.37SS..Hα-helixtrans-61.1-41.8175.7179.2-96.1000111.5P203 S247 E248 L249 S254 K259P203-Y251 HydrophobicContact CB-CD1 4.39Å; P203-Y251 HydrophobicContact CB-CE1 4Å; P203-Y251 HydrophobicContact CG-CD1 3.96Å; P203-Y251 HydrophobicContact CG-CE1 4Å; S247-Y251 WeakPolarHBondContact O-CB 3.37Å; S247-Y251 PolarHBondContact O-N 2.64Å; E248-Y251 PolarHBondContact O-N 3.08Å; L249-Y251 PolarHBondContact O-N 3.43Å; Y251-S254 PolarHBondContact O-OG 2.91Å; Y251-K259 HydrophobicContact CD2-CG 4.49Å; Y251-K259 HydrophobicContact CE1-CD 4.27Å; Y251-K259 HydrophobicContact CE2-CB 3.97Å; Y251-K259 HydrophobicContact CE2-CD 4.09Å; Y251-K259 HydrophobicContact CE2-CG 3.98Å; Y251-K259 WeakPolarHBondContact O-CE 3.31Å; Y251-K259 PolarHBondContact O-NZ 3.21Å
252L87.9Confident72.7Confident11 Ų1166.3 Ų66.36%0.05838%0.375CS..Hα-helixtrans-66.1-46.8176.7-65.7176.9000112.3A188 M202 L206 L244 E248 L249 Q250 S254 K259 L465A188-L252 HydrophobicContact CB-CD2 3.87Å; M202-L252 HydrophobicContact CG-CD2 4.32Å; L206-L252 HydrophobicContact CD2-CD1 3.89Å; L206-L252 HydrophobicContact CD2-CD2 4.37Å; L206-L252 HydrophobicContact CD2-CG 4.47Å; L244-L252 HydrophobicContact CD1-CD1 4.27Å; E248-L252 WeakPolarHBondContact O-CG 3.31Å; E248-L252 PolarHBondContact O-N 2.86Å; L249-L252 PolarHBondContact O-N 2.59Å; Q250-L252 VanDerWaalsContact C-N 3.33Å; Q250-L252 PolarHBondContact O-N 2.78Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.32Å; L252-K259 PolarHBondContact O-NZ 2.88Å; L252-L465 HydrophobicContact CD1-CD2 3.41Å; L252-L465 VanDerWaalsContact CD1-CD2 3.41Å
253Q84.6Confident69.8Low128 Ų12870.3 Ų70.360%0.59840%0.403SS*.Hα-helixtrans-68.2-25.5-178.5-72.1176.5-15.900114.6L187 L249 Q250L187-Q253 HydrophobicContact CD2-CG 4.48Å; L249-Q253 HydrophobicContact CD1-CG 4.14Å; L249-Q253 HydrophobicContact CG-CG 4.45Å; L249-Q253 WeakPolarHBondContact O-CB 3.3Å; L249-Q253 WeakPolarHBondContact O-CG 3.24Å; L249-Q253 PolarHBondContact O-N 3.14Å; Q250-Q253 PolarHBondContact O-N 2.86Å
254S79.8Confident67.3Low38 Ų3877 Ų7727%0.26643%0.429SS..SBendtrans-60.2149.6174.766.80000112Q250 Y251 L252 K259Q250-S254 PolarHBondContact O-N 3.46Å; Y251-S254 PolarHBondContact O-OG 2.91Å; L252-S254 VanDerWaalsContact C-N 3.34Å; L252-S254 PolarHBondContact O-N 3.32Å; S254-K259 WeakPolarHBondContact O-CE 3.39Å; S254-K259 PolarHBondContact O-NZ 2.98Å; S254-K259 WeakPolarHBondContact OG-CE 3.4Å; S254-K259 VanDerWaalsContact OG-CG 3.26Å; S254-K259 WeakPolarHBondContact OG-CG 3.23Å
255A60.4Low64.1Low47 Ų4782 Ų8239%0.38846%0.463SS..  trans-70.4148.2179.300000110.6V257 D258A255-V257 PolarHBondContact O-N 3.16Å; A255-D258 WeakPolarHBondContact CB-OD2 3.44Å; A255-D258 PolarHBondContact O-N 2.91Å
256P59.3Low61.1Low106 Ų10684.7 Ų84.769%0.68849%0.488SS*.THydrogen-bonded Turntrans-55.3-23.6-176.8-28.735.9000115.7
257V47.5Very low58.4Low113 Ų11388.4 Ų88.469%0.68551%0.513SS*.THydrogen-bonded Turntrans-74.7-37.6177.8-177.20000111.9A255A255-V257 PolarHBondContact O-N 3.16Å
258D42Very low55.6Low90 Ų9094.1 Ų94.148%0.48153%0.531SS..Hα-helixtrans-79.2-21.4-173.4-56.1-46.3000112.8A255 I260 S261 S262A255-D258 WeakPolarHBondContact CB-OD2 3.44Å; A255-D258 PolarHBondContact O-N 2.91Å; D258-I260 PolarHBondContact O-N 2.77Å; D258-S261 PolarHBondContact O-N 3.29Å; D258-S262 PolarHBondContact O-N 3.09Å; D258-S262 VanDerWaalsContact O-N 3.12Å
259K49.8Very low52.8Low46 Ų46101.8 Ų101.820%0.256%0.563CS.*Hα-helixtrans-60.8-26.9-179-63.4-178.6-155.5-132.80113.5Y251 L252 S254Y251-K259 HydrophobicContact CD2-CG 4.49Å; Y251-K259 HydrophobicContact CE1-CD 4.27Å; Y251-K259 HydrophobicContact CE2-CB 3.97Å; Y251-K259 HydrophobicContact CE2-CD 4.09Å; Y251-K259 HydrophobicContact CE2-CG 3.98Å; Y251-K259 WeakPolarHBondContact O-CE 3.31Å; Y251-K259 PolarHBondContact O-NZ 3.21Å; L252-K259 PolarHBondContact O-NZ 2.88Å; S254-K259 WeakPolarHBondContact O-CE 3.39Å; S254-K259 PolarHBondContact O-NZ 2.98Å; S254-K259 WeakPolarHBondContact OG-CE 3.4Å; S254-K259 VanDerWaalsContact OG-CG 3.26Å; S254-K259 WeakPolarHBondContact OG-CG 3.23Å
260I42.3Very low49.9Very low137 Ų137108.6 Ų108.670%0.70360%0.6SS**Hα-helixtrans-84.6-28.9178.3-58.2172.2000111D258 S263D258-I260 PolarHBondContact O-N 2.77Å; I260-S263 PolarHBondContact O-OG 3.18Å
261S33.7Very low47.4Very low74 Ų74108.2 Ų108.252%0.51761%0.607SS.*Hα-helixtrans-82-30-177.5-53.20000113.2D258 S263 Y264D258-S261 PolarHBondContact O-N 3.29Å; S261-S263 PolarHBondContact O-N 3.04Å; S261-S263 VanDerWaalsContact O-N 3.11Å; S261-Y264 PolarHBondContact O-N 3.07Å
262S32.6Very low44.8Very low100 Ų100108.9 Ų108.970%0.69962%0.624SS**THydrogen-bonded Turntrans-64-15.9-174.3-162.10000114.8D258D258-S262 PolarHBondContact O-N 3.09Å; D258-S262 VanDerWaalsContact O-N 3.12Å
263S32.3Very low42.2Very low84 Ų84114.4 Ų114.459%0.58766%0.661SS**THydrogen-bonded Turntrans-84.4-8.5175.448.60000114.2I260 S261I260-S263 PolarHBondContact O-OG 3.18Å; S261-S263 PolarHBondContact O-N 3.04Å; S261-S263 VanDerWaalsContact O-N 3.11Å
264Y41.9Very low39.6Very low194 Ų194117.6 Ų117.676%0.76167%0.672SS**  trans-138.767.4-174.9-66.7-79.1000113S261S261-Y264 PolarHBondContact O-N 3.07Å
265S26.8Very low37.4Very low103 Ų103125.7 Ų125.772%0.7270%0.703SS**  trans-119.4105.8166.651.20000111.8
266A27.2Very low36Very low87 Ų87129.5 Ų129.572%0.71972%0.721SS**  trans-68.6155.815700000109.2E268A266-E268 PolarHBondContact O-N 3.13Å
267P32Very low34.8Very low135 Ų135135.9 Ų135.988%0.87773%0.732SS**  trans-71.890.4-175.428.9-35.5000111.7
268E30.1Very low34Very low199 Ų199138.3 Ų138.393%0.9374%0.74SS**  trans-82.1155.1172.1-163.1161.8-138.100111.6A266A266-E268 PolarHBondContact O-N 3.13Å
269K31.6Very low33.8Very low187 Ų187139.7 Ų139.781%0.81376%0.756SS**  trans-105.7140.2-156.3-163.3176.3-175.7178.10111.9T271K269-T271 PolarHBondContact O-N 2.95Å
270D29.5Very low33.1Very low164 Ų164149.1 Ų149.188%0.87779%0.791SS**  trans-44.6119-172.1-65.3-71.5000115.2
271T35.5Very low32.6Very low130 Ų130149 Ų14980%0.79880%0.797SS**  trans-138.8143.2159.9570000110.6K269K269-T271 PolarHBondContact O-N 2.95Å
272P34Very low32.7Very low113 Ų113153.1 Ų153.173%0.73481%0.812SS**PPolyproline II helixtrans-78.3150.7-168.329.9-35.8000113.9K274P272-K274 PolarHBondContact O-N 3.17Å
273P33.6Very low32.7Very low128 Ų128153.5 Ų153.583%0.83182%0.815SS**PPolyproline II helixtrans-71.6126.1-16927.5-35.5000113.7
274K30.8Very low32.6Very low195 Ų195157.3 Ų157.385%0.84883%0.829SS**PPolyproline II helixtrans-82.9130.4169.4-68.1175-177.6169.80109.9P272 T276P272-K274 PolarHBondContact O-N 3.17Å; K274-T276 PolarHBondContact O-N 3.39Å; K274-T276 VanDerWaalsContact O-N 3.07Å
275K33.2Very low32.3Very low208 Ų208154.6 Ų154.690%0.90483%0.832SS**  trans-77.390.4-178.2-65.5-176.9179.9-178.90111.8R277K275-R277 PolarHBondContact O-N 3.46Å
276T31Very low32.6Very low126 Ų126155.8 Ų155.877%0.77384%0.838SS**PPolyproline II helixtrans-68.6118.4172-49.30000110.2K274 L278K274-T276 PolarHBondContact O-N 3.39Å; K274-T276 VanDerWaalsContact O-N 3.07Å; T276-L278 PolarHBondContact O-N 2.96Å
277R33.3Very low32.6Very low241 Ų241157.1 Ų157.191%0.90984%0.842SS**PPolyproline II helixtrans-77.8116.7174.5-70.1-178.5174.3-169-1.8109.5K275K275-R277 PolarHBondContact O-N 3.46Å
278L31.4Very low32.5Very low163 Ų163155.2 Ų155.285%0.85383%0.832SS**PPolyproline II helixtrans-81.8146.3165.8-69.7173.7000110.6T276T276-L278 PolarHBondContact O-N 2.96Å
279S36.9Very low32.4Very low119 Ų119153.8 Ų153.883%0.83283%0.825SS**PPolyproline II helixtrans-67.1142.7-171.1-52.10000112.9
280R35.3Very low32.3Very low244 Ų244150.7 Ų150.792%0.92183%0.827SS**PPolyproline II helixtrans-76.4162.6163.5-80.3-175.3173.3171.8-3.8111
281T32.1Very low32.3Very low136 Ų136149.1 Ų149.183%0.83482%0.824SS**PPolyproline II helixtrans-68.6169.5-173.246.60000114
282L34.9Very low32.4Very low159 Ų159148.2 Ų148.283%0.83282%0.82SS**SBendtrans-60.8171.8157.6-67.2169.9000111.2
283S33.9Very low31.9Very low108 Ų108148.3 Ų148.376%0.75582%0.823SS**  trans55.993.9-176.564.10000115.7
284D28.7Very low31.7Very low164 Ų164152.2 Ų152.288%0.87782%0.821SS**  trans-160.3129.5131.7-103.8-26.6000110.1
285T36.4Very low32Very low137 Ų137148.5 Ų148.584%0.8482%0.817SS**  trans-126.2107.6177.648.20000110.8
286P32.5Very low31.6Very low128 Ų128142.4 Ų142.483%0.83181%0.805SS**  trans-92.7148.2166.534.2-30.5000111.7
287S28.1Very low31.4Very low115 Ų115141.2 Ų141.280%0.80480%0.802SS**  trans-105.4162.2-169.6-54.40000114.4
288S29.6Very low31Very low96 Ų96135.3 Ų135.367%0.67180%0.797SS**  trans62.8122.4161.7-84.90000120.9
289E28.8Very low30.9Very low169 Ų169136.9 Ų136.979%0.7980%0.8SS**  49112.3124-59.5164.4108.400120
290S29.6Very low30.4Very low121 Ų121136.3 Ų136.385%0.84680%0.796SS**  -170.1146.6100.9330000112.1
291T29.1Very low30.6Very low132 Ų132130.4 Ų130.481%0.8179%0.789SS**  trans-99.2162.4157.757.90000108.3
292P36.1Very low30.4Very low111 Ų111131.7 Ų131.772%0.72179%0.785SS**  -150161.6104.938.2-22.8000116.9
293S25.5Very low30Very low115 Ų115135 Ų13580%0.80479%0.787SS**  trans61.9119.3147.256.60000121.4
294R28.5Very low29.6Very low209 Ų209134 Ų13479%0.78979%0.785SS**  trans-95.9170158179.3-179.1171.4-176.9-1.4109
295P36.6Very low29.5Very low117 Ų117130 Ų13076%0.7677%0.77SS**  trans-137.9159.3134.537.9-27000116.3
296A25Very low29.1Very low80 Ų80133 Ų13366%0.66177%0.772SS**  trans73.1144.4151.500000122.2
297S26.9Very low28.9Very low101 Ų101132.2 Ų132.271%0.70677%0.77SS**  trans66.1147.1164.980.70000120.8
298C25Very low29.7Very low117 Ų117132.1 Ų132.179%0.79177%0.766SS**  cis-170.6157.8-49.2-1130000109.8
299Q29.8Very low29.5Very low197 Ų197132.7 Ų132.792%0.92177%0.769SS**  trans75.9140.4170.2-58.6-178.67.200118.7
300S25.7Very low29.5Very low107 Ų107130.8 Ų130.875%0.74877%0.769SS**  trans-118177.4162.758.80000108.2
301P39.6Very low29.3Very low120 Ų120131.1 Ų131.178%0.77977%0.772SS**  -144.4177.994.136.6-19.9000116
302Q29.1Very low29.2Very low162 Ų162128.2 Ų128.276%0.75777%0.768SS**  trans-37.3163.1170.6-56174.82.700115.5
303R26.2Very low28.9Very low229 Ų229127.5 Ų127.586%0.86477%0.765SS**  cis-163.2172.840.8-146169.1-154.7178.73.5112.6
304A26Very low29Very low86 Ų86130.6 Ų130.671%0.71177%0.767SS**  trans-81.1-178.4174.200000111.8
305S26.5Very low29.1Very low82 Ų82127.6 Ų127.657%0.57377%0.767SS**  cis-166.4-179.119.936.40000112.2
306F26.1Very low28.8Very low198 Ų198126.6 Ų126.687%0.86876%0.763SS**  trans111.2137.9151.8-54.2-62.8000119.8
307S29.1Very low29.1Very low113 Ų113128.4 Ų128.479%0.7977%0.765SS**  trans-131.4-171.2167.9-380000106.4
308P45.6Very low29.2Very low112 Ų112132.9 Ų132.973%0.72777%0.772SS**  cis-138.1-153-2.430.6-3.9000113.4
309C26Very low29.5Very low108 Ų108132.3 Ų132.373%0.7377%0.769SS**  trans84.2148158.3-59.20000119.3
310T27.1Very low30Very low129 Ų129129.1 Ų129.179%0.79177%0.766SS**  cis-170168.9-23.726.80000110.2
311S27.1Very low30.1Very low129 Ų129128.4 Ų128.490%0.90277%0.766SS**  trans77.6145.2170.2-148.30000115.5
312G26.3Very low30.8Very low71 Ų71128.4 Ų128.473%0.73277%0.767SS**  cis139.6141.3400000108.9
313S29.3Very low30.7Very low95 Ų95126.8 Ų126.866%0.66477%0.773SS**  cis-140168.41068.90000110.3
314E28.6Very low30.9Very low180 Ų180125.6 Ų125.684%0.84178%0.777SS**  44.8140.989.5-46.2161.2-147.700115.2
315D29.8Very low30.9Very low146 Ų146125.4 Ų125.478%0.78178%0.784SS**  cis-167.2-179.3-24-155.643.3000106.2
316S29.8Very low30.9Very low97 Ų97127.3 Ų127.368%0.67880%0.797SS**  cis-146.3-154.512.2-550000111.9
317V32Very low31.1Very low117 Ų117123.7 Ų123.771%0.70980%0.796SS**  trans-128.6168.4-172.6-168.80000111.6
318F28.1Very low31.1Very low196 Ų196122.7 Ų122.786%0.8680%0.795SS**  trans107.2129151.2-79.1-72.9000122.2
319S32.3Very low30.2Very low104 Ų104124.9 Ų124.973%0.72780%0.801SS**  trans-81165.5157.7-36.60000110.9
320P40.5Very low30.3Very low130 Ų130124.9 Ų124.984%0.84480%0.802SS**  -152.1-170.290.740.8-22.2000115.4
321A26.9Very low30.8Very low92 Ų92124.2 Ų124.276%0.7680%0.799SS**  trans-127.7-171166.300000108.3
322P55.2Low30.8Very low121 Ų121125.4 Ų125.479%0.78680%0.796SS**  cis-128.3-179.6-15.141.4-26.6000113.2
323S27.3Very low30.8Very low128 Ų128130 Ų13090%0.89580%0.803SS**  trans-143.5157.6171.5-66.70000113.4
324Q29.7Very low30.7Very low203 Ų203130.7 Ų130.795%0.94981%0.807SS**  trans-94.9161.4177.7-59.1177.23.100112.6
325G26.7Very low31.2Very low82 Ų82127.7 Ų127.785%0.84580%0.803SS**  trans-179.5141166.500000111.5
326S26.5Very low31Very low122 Ų122129.2 Ų129.285%0.85381%0.811SS**  trans-125.2144.9-175.758.80000113.3
327S28.8Very low31Very low123 Ų123129.2 Ų129.286%0.8681%0.81SS**  trans-163.9159.9148.251.40000108.7
328A29.6Very low30.9Very low91 Ų91130.2 Ų130.275%0.75282%0.819SS**  trans-97.1149.9179.800000110.7
329D26.8Very low30.9Very low159 Ų159126.9 Ų126.985%0.8581%0.809SS**  -160.1164.3120.6-118.4-27000112.8
330S28Very low30.5Very low108 Ų108134 Ų13476%0.75582%0.82SS**  trans-156.7136.5170.9-73.80000108.6
331P38Very low29.7Very low114 Ų114137.4 Ų137.474%0.7482%0.816SS**  -147.6162.691.638.4-22.6000116.3
332N27.2Very low29.7Very low154 Ų154143 Ų14382%0.82482%0.824SS**  trans22.8125.9144.6-56.2-27.2000119.7
333L25.8Very low28.4Very low169 Ų169141.4 Ų141.489%0.88582%0.815SS**  trans-156.5137.4130.1-112.7169000113.6
334S27.2Very low28.3Very low109 Ų109142.9 Ų142.976%0.76281%0.814SS**  trans-169.6164.5171.9-74.70000106.4
335P38.2Very low28.1Very low116 Ų116137 Ų13775%0.75381%0.807SS**  cis-123.7176.3-2.141.6-28.3000113.1
336L26.6Very low28.1Very low179 Ų179136.3 Ų136.394%0.93780%0.8SS**  trans-141.5133.2153.3-83.6-177.6000111.6
337S29.2Very low28.1Very low96 Ų96139 Ų13967%0.67181%0.805SS**  trans-132140.1171.654.40000110I339S337-I339 PolarHBondContact O-N 3.15Å
338P30.1Very low28.1Very low138 Ų138137.5 Ų137.590%0.89680%0.8SS**  trans-80.8119.6178.5-11.528.6000111.7
339I28.1Very low28Very low127 Ų127140.5 Ų140.565%0.65180%0.803SS**  trans-87.2140.9168.7-67.5171.3000109.4S337 R341S337-I339 PolarHBondContact O-N 3.15Å; I339-R341 HydrophobicContact CG2-CG 3.89Å
340R24.2Very low28Very low252 Ų252141.6 Ų141.695%0.95180%0.803SS**  trans-113.6128.4150.6-77.3-169.1175.5-167.1-0109.4
341R23.6Very low27.9Very low202 Ų202140.9 Ų140.976%0.76280%0.804SS**  trans-123.4149167.3-77.6-179.3-179.1161.2-1.1108.2I339I339-R341 HydrophobicContact CG2-CG 3.89Å
342F27.8Very low27.3Very low209 Ų209144.2 Ų144.292%0.91781%0.809SS**  trans-174.4153.3131.6-75.5-56.4000106.6
343S27.4Very low27.3Very low88 Ų88146 Ų14662%0.61581%0.813SS**  cis-170.1162.7-38.2-102.20000108.2
344N24.8Very low27.3Very low160 Ų160141.7 Ų141.786%0.85681%0.809SS**  trans69.8142.1178.5-53.82.1000114.3
345G26.3Very low27.2Very low79 Ų79142.4 Ų142.481%0.81481%0.809SS**  cis95.5128.2-0.300000113.5
346G27Very low26.7Very low67 Ų67144.6 Ų144.669%0.69181%0.813SS**  cis154.3140.7-5.700000110.7
347N25.8Very low26.7Very low180 Ų180143.8 Ų143.896%0.96381%0.81SS**  trans176.1174.5159.6-93.8-12000110.3
348A27.8Very low26.6Very low90 Ų90146 Ų14674%0.74481%0.81SS**  trans-108.3166.6-175.200000112.8
349D27.5Very low26.5Very low154 Ų154145.3 Ų145.382%0.82481%0.808SS**  -166.9-172.8112.3-117.4-42.7000112.7
350Q26.7Very low26.4Very low182 Ų182145.2 Ų145.285%0.8581%0.805SS**  trans-98.2173.1-170.8-62.6169.875.400115
351A26.3Very low26.6Very low93 Ų93141.8 Ų141.877%0.76979%0.793SS**  trans114.8122.3147.300000119.5
352E26.6Very low26.8Very low185 Ų185138.6 Ų138.686%0.86479%0.787SS**  trans52121.1141.6-59.1-171.4162.200124.1
353E26.2Very low26.5Very low192 Ų192133.1 Ų133.190%0.89777%0.774SS**  42117.4128.3-160.5156.6-142.600121.2
354G25.5Very low26.5Very low78 Ų78136 Ų13680%0.80478%0.782SS**  trans-158123169.600000111.9
355T25.7Very low26.6Very low124 Ų124137.2 Ų137.276%0.76178%0.782SS**  trans-75.8147.9-169.441.90000116.4
356L28.7Very low26.7Very low161 Ų161139.6 Ų139.684%0.84379%0.786SS**  trans63.5122.9146.3-66.3164.7000120.3
357D26.4Very low26.9Very low162 Ų162144.2 Ų144.287%0.86680%0.795SS**  -152.2163.2113.5-157.12.4000110.4
358E26.4Very low27Very low143 Ų143138.9 Ų138.967%0.66878%0.782SS**  trans-101.4145.8-169.7-65.1-17594.800114.9
359S27.7Very low26.9Very low123 Ų123138.6 Ų138.686%0.8679%0.789SS**  trans-160.5102.3142.728.10000113.8
360H27.2Very low26.7Very low125 Ų125135 Ų13558%0.57979%0.787SS**  trans-36.2156.7147.8-67.7-22.3000114.4
361Y27.6Very low26.7Very low181 Ų181132.9 Ų132.971%0.7179%0.787SS**  cis-154.9164.27-93.6-42.5000107.5
362H26.9Very low26.7Very low135 Ų135134.2 Ų134.263%0.62579%0.791SS**  cis-153.5168.7-4.3-141.7-67.8000108.3
363S22.9Very low26.8Very low93 Ų93133.6 Ų133.665%0.6579%0.788SS**  trans-141.6158.3149.3-173.50000109.4
364L27Very low26.7Very low148 Ų148132.5 Ų132.578%0.77579%0.785SS**  trans-137.299.2177.2-75.5176.8000111
365H27.3Very low27.2Very low187 Ų187134 Ų13487%0.86678%0.78SS**  trans-97.2149.6150.1-76.5-88.4000108.3
366S28.7Very low27.2Very low129 Ų129132.6 Ų132.690%0.90278%0.776SS**  trans-112.3140.4167.8-166.10000108.5
367D29.8Very low27.1Very low163 Ų163133.7 Ų133.787%0.87278%0.776SS**  trans-132.2160.2-172.4-175.334.2000111.8
368G27.4Very low26.9Very low68 Ų68129.2 Ų129.270%0.70177%0.768SS**  trans76.8144172.900000116
369G26.1Very low26.9Very low85 Ų85131 Ų13188%0.87678%0.782SS**  cis137.3111.7-5.500000112.5
370G24.1Very low26.7Very low77 Ų77128 Ų12879%0.79477%0.77SS**  trans-172.7140.717700000112.7
371V27.4Very low26.7Very low138 Ų138127.8 Ų127.884%0.83678%0.784SS**  trans-137.2138.9-171.3174.90000111.2
372S26.3Very low26.8Very low122 Ų122123.2 Ų123.285%0.85378%0.783SS**  trans-149.7165.4161.957.90000109.9
373Q26.9Very low26.8Very low171 Ų171126.6 Ų126.680%0.79980%0.796SS**  trans-131.4133.9-160.9-75.9-177.3-14.200114.8
374M24.6Very low27.1Very low170 Ų170131 Ų13184%0.83781%0.807SS**  trans66.1165.4143.2-61.6-64.4-83.200119
375P37Very low27.3Very low108 Ų108132.9 Ų132.970%0.70181%0.811SS**  cis-133.2176.8-19.134.5-15.8000116.5
376S25.5Very low27.2Very low96 Ų96127.7 Ų127.767%0.67180%0.796SS**  trans81.8143.2150.2-1270000122.4
377E25.5Very low27.2Very low184 Ų184129.7 Ų129.786%0.8680%0.796SS**  trans49.6139.9160.8-70.3141.5-110.900120.4
378G23.5Very low27Very low68 Ų68129.5 Ų129.570%0.70179%0.79SS**  cis173156.5-6.800000113.1
379D25.3Very low27.1Very low180 Ų180134.6 Ų134.696%0.96380%0.8SS**  trans65.2165.8168.2-154.913.5000119.2
380G22.9Very low27.1Very low59 Ų59138.6 Ų138.661%0.60880%0.801SS**  trans109.889.514500000121
381S27.3Very low27.1Very low122 Ų122138.4 Ų138.485%0.85380%0.799SS**  trans70.4156.3140.5-1590000121.6
382A30.1Very low27.1Very low85 Ų85135.4 Ų135.470%0.70280%0.796SS**  trans-91.3163170.100000111.9
383F26.2Very low27.2Very low205 Ų205134.7 Ų134.790%0.89980%0.797SS**  trans-142.9141167-111.1-87.6000112.3
384E30.6Very low27.1Very low187 Ų187130.9 Ų130.987%0.87480%0.795SS**  trans-79.3151.4158.9-65.8-177.996.700109.6
385E29.7Very low27.3Very low186 Ų186128.1 Ų128.187%0.86979%0.793SS**  trans-106.3101.9176.3-168.4178.4-159.600110.2
386S27.2Very low26.8Very low79 Ų79131.8 Ų131.855%0.55280%0.8SS**  trans-80.9128.3174.6460000111.2H388S386-H388 PolarHBondContact O-CD2 3.3Å; S386-H388 PolarHBondContact O-N 2.89Å; S386-H388 PolarHBondContact OG-CD2 3.2Å; S386-H388 VanDerWaalsContact OG-CD2 3.22Å; S386-H388 PolarHBondContact OG-NE2 3.17Å
387L27.1Very low26.9Very low171 Ų171133.2 Ų133.290%0.89581%0.805SS**  trans-80.896.6171.8-69.1175000109.7
388H26.5Very low27Very low159 Ų159131.7 Ų131.774%0.73681%0.809SS**PPolyproline II helixtrans-77.2142177-77.2-91.2000112.7S386S386-H388 PolarHBondContact O-CD2 3.3Å; S386-H388 PolarHBondContact O-N 2.89Å; S386-H388 PolarHBondContact OG-CD2 3.2Å; S386-H388 VanDerWaalsContact OG-CD2 3.22Å; S386-H388 PolarHBondContact OG-NE2 3.17Å
389L30Very low27.1Very low175 Ų175135.3 Ų135.392%0.91681%0.812SS**PPolyproline II helixtrans-73.4151.5169.6-67.1166.5000110.4
390N25.8Very low27.1Very low169 Ų169131.9 Ų131.990%0.90480%0.801SS**PPolyproline II helixtrans-102.8134172.4-165.614.6000109.7
391G24.2Very low27.2Very low72 Ų72132.6 Ų132.674%0.74281%0.808SS**  trans-169.8135.7-176.800000114.1
392G26.1Very low27.1Very low76 Ų76134.9 Ų134.978%0.78481%0.811SS**  trans86.9157.1-17800000114.4
393A28.1Very low27Very low106 Ų106135.3 Ų135.388%0.87681%0.814SS**  cis-164.2157.7-12.400000111.5
394A26.2Very low27.1Very low92 Ų92130 Ų13076%0.7681%0.809SS**  trans-155123.6152.200000106.9
395S28.3Very low27Very low111 Ų111126.2 Ų126.278%0.77680%0.803SS**  69.9134.376.9-105.20000112.8
396E26.9Very low27.1Very low185 Ų185128.1 Ų128.186%0.86480%0.802SS**  cis-137.6-175.816.7-65.2-168.4135.700114.5
397T27.2Very low27.2Very low126 Ų126130.2 Ų130.277%0.77381%0.807SS**  trans-76.5149.9-177500000115.4
398T27.4Very low27.2Very low152 Ų152129.2 Ų129.293%0.93380%0.798SS**  trans-159.1179.1131.8-7.20000112
399D24.8Very low27.4Very low144 Ų144128.8 Ų128.877%0.7779%0.794SS**  trans-116.6-179-157.4-179.837.3000113.6
400C25.7Very low27.2Very low108 Ų108126.6 Ų126.673%0.7379%0.788SS**  trans76.4103164-76.30000119.5
401G25.7Very low27.3Very low74 Ų74122.2 Ų122.276%0.76378%0.775SS**  93.6101.195.700000121.2
402N25.9Very low27.5Very low170 Ų170125.3 Ų125.391%0.90978%0.779SS**  80.9164.7128-144.15.1000120.7
403A27.7Very low27.6Very low94 Ų94125.5 Ų125.578%0.77778%0.781SS**  trans72.4127.9168.100000119.7
404A27.4Very low27.5Very low95 Ų95127.3 Ų127.379%0.78578%0.781SS**  trans-95.6160.117100000111.9
405S30Very low27.5Very low107 Ų107126.8 Ų126.875%0.74879%0.785SS**  168157.9117.8560000113
406R30Very low27.3Very low225 Ų225124.7 Ų124.785%0.84978%0.781SS**  trans46152.7134.2-78.2-165.7153.6148.9-2.8122.1
407D29.3Very low27.3Very low123 Ų123122.6 Ų122.666%0.65878%0.78SS**  cis-171.3159.1-23.2-135.5-35.6000106.5
408E28.5Very low27.2Very low150 Ų150121.6 Ų121.670%0.70178%0.777SS**  trans58.8165.9164.8-72.6-158.7127.700118.7
409K29.8Very low27.1Very low151 Ų151120.4 Ų120.466%0.65777%0.774SS**  cis177.9153.5-30.9178174.2172-170.70110.5
410T27.2Very low27.1Very low128 Ų128125.2 Ų125.279%0.78578%0.781SS**  trans62.2158.2164.538.90000117.4
411A27.5Very low27.1Very low78 Ų78130.1 Ų130.165%0.64579%0.79SS**  cis-159.5154.8-9.600000111.9
412V26.9Very low27.2Very low136 Ų136131.5 Ų131.582%0.82479%0.794SS**  trans46.7116.6144.2-178.40000119.4V414V412-V414 HydrophobicContact CG1-CG2 4.4Å
413G28.3Very low27.2Very low80 Ų80133.5 Ų133.583%0.82580%0.795SS**  trans-146.398.2157.900000110.8
414V27.4Very low27Very low144 Ų144132 Ų13287%0.87379%0.788SS**  trans-86.2128.7-178.9177.60000110.2V412V412-V414 HydrophobicContact CG1-CG2 4.4Å
415G26.1Very low26.9Very low82 Ų82137.1 Ų137.185%0.84580%0.795SS**  trans-16172.3-178.900000113.6
416G24.5Very low26.8Very low66 Ų66141.8 Ų141.868%0.6880%0.802SS**  trans-107.3150.516900000111.9
417V25.9Very low26.6Very low141 Ų141135.3 Ų135.386%0.85580%0.797SS**  trans169136.9136.7149.90000112.3
418C24.8Very low26.5Very low105 Ų105138 Ų13871%0.70981%0.806SS**  trans48.799.2160.9-72.60000121.4
419C25.5Very low26.4Very low127 Ų127137.3 Ų137.386%0.85881%0.811SS**  12.2123.9108.2-53.60000117.7
420R24.9Very low26.2Very low245 Ų245141.3 Ų141.393%0.92582%0.822SS**  trans-120.7121.4154.8-70.5-172.7-179.5-174.61.4110.2A422R420-A422 PolarHBondContact O-N 3Å
421K26.5Very low26.3Very low212 Ų212143.8 Ų143.892%0.92283%0.825SS**  trans-76.5113.2169.1-74.1-179.5175178.10109.2
422A26.2Very low26.3Very low102 Ų102145.3 Ų145.384%0.84383%0.829SS**  trans-84.4133.2161.700000109.1R420R420-A422 PolarHBondContact O-N 3Å
423K26.3Very low26.4Very low213 Ų213141.5 Ų141.593%0.92681%0.806SS**  trans-110.687.5-170.1-171.1-176.1176.8-176.40112.3
424G23.3Very low26.7Very low62 Ų62144.1 Ų144.164%0.63981%0.812SS**  trans76.5144.7157.300000117.4
425H25.1Very low26.8Very low202 Ų202141 Ų14194%0.93581%0.809SS**  -136.1147.1119.6-99.448.9000106.8
426K28.5Very low26.9Very low206 Ų206140.3 Ų140.390%0.89679%0.792SS**  trans-81.3129.5174.1-86.3-171.6169.7-168.70109.3
427A25.1Very low27.1Very low89 Ų89142.2 Ų142.274%0.73679%0.793SS**  trans-109.4129.2156.200000107.9T429A427-T429 PolarHBondContact O-N 2.86Å
428E28.4Very low27.1Very low180 Ų180141.1 Ų141.184%0.84179%0.792SS**  trans-83.687.7177.1-68.9-173129.900110.5R430E428-R430 PolarHBondContact O-N 2.97Å
429T26Very low27.8Very low134 Ų134142.1 Ų142.182%0.82278%0.784SS**  trans-74.8111.6166.1-53.70000108.7A427A427-T429 PolarHBondContact O-N 2.86Å
430R26.4Very low28.1Very low235 Ų235144 Ų14489%0.88779%0.786SS**PPolyproline II helixtrans-69.2138.7177.9-66.5179.6177.7174.6-1.7110.7E428E428-R430 PolarHBondContact O-N 2.97Å
431Q28.6Very low28.4Very low180 Ų180137.7 Ų137.784%0.84178%0.779SS**PPolyproline II helixtrans-77.5151171.4-69.3175.6-63.200110.8
432P28.6Very low29.1Very low111 Ų111131.3 Ų131.372%0.72176%0.755SS**PPolyproline II helixtrans-71.3172.716734.4-37.1000111
433P27.9Very low29.8Very low55 Ų55135 Ų13536%0.35776%0.755SS.*PPolyproline II helixtrans-78.7145.9-163.630.4-34.1000113.4G435 E552P433-G435 PolarHBondContact O-N 3.43Å; P433-G435 VanDerWaalsContact O-N 3.14Å; P433-E552 HydrophobicContact CB-CB 4.38Å; P433-E552 VanDerWaalsContact CD-OE1 3.24Å; P433-E552 WeakPolarHBondContact CD-OE1 3.24Å; P433-E552 HydrophobicContact CG-CB 4.11Å; P433-E552 HydrophobicContact CG-CG 4.38Å
434S35.7Very low31Very low135 Ų135129.5 Ų129.594%0.94473%0.732SS**THydrogen-bonded Turntrans-59.8112.8166.9-57.10000110.4
435G28.5Very low32.7Very low78 Ų78128.5 Ų128.580%0.80472%0.715SS**THydrogen-bonded Turntrans-175.1-39.4-17900000112.9P433P433-G435 PolarHBondContact O-N 3.43Å; P433-G435 VanDerWaalsContact O-N 3.14Å
436S29.1Very low35.4Very low69 Ų69123.8 Ų123.848%0.48370%0.703SS.*SBendtrans-89.5139.7162.658.90000110.8S438S436-S438 PolarHBondContact O-N 3.2Å
437C27.8Very low38.2Very low105 Ų105116.2 Ų116.271%0.70967%0.672SS**  trans-53.9127.7174-58.20000111.4F439C437-F439 HydrophobicContact CB-CD2 4.06Å; C437-F439 HydrophobicContact CB-CE2 3.78Å; C437-F439 WeakPolarHBondContact O-CD2 3.47Å; C437-F439 PolarHBondContact O-N 2.95Å
438S25.8Very low41.4Very low118 Ų118114 Ų11483%0.82565%0.649SS**  trans-72.3108.1176.953.40000110.7S436S436-S438 PolarHBondContact O-N 3.2Å
439F40.6Very low44.5Very low126 Ų126109 Ų10955%0.55363%0.632SS**  trans-99.84.7-178.2-90.3-77.7000114.7C437 S441 L442C437-F439 HydrophobicContact CB-CD2 4.06Å; C437-F439 HydrophobicContact CB-CE2 3.78Å; C437-F439 WeakPolarHBondContact O-CD2 3.47Å; C437-F439 PolarHBondContact O-N 2.95Å; F439-S441 PolarHBondContact O-N 2.84Å; F439-L442 HydrophobicContact CD1-CD2 4.32Å; F439-L442 HydrophobicContact CE1-CD2 4.14Å
440D30.5Very low47.7Very low167 Ų167103.4 Ų103.489%0.89360%0.597SS**SBendtrans-75.839.7-177.3-66-29.3000114.6
441S31.6Very low50.8Low113 Ų11392.6 Ų92.679%0.7956%0.558SS**SBendtrans-172.679.8156.660.50000110.1F439F439-S441 PolarHBondContact O-N 2.84Å
442L41.3Very low53.9Low77 Ų7784 Ų8440%0.40352%0.518SS..  trans-13874.8175.8-14592.2000112.8K84 F439 S445K84-L442 WeakPolarHBondContact CE-O 3.44Å; F439-L442 HydrophobicContact CD1-CD2 4.32Å; F439-L442 HydrophobicContact CE1-CD2 4.14Å; L442-S445 WeakPolarHBondContact CD1-OG 3.23Å; L442-S445 WeakPolarHBondContact CG-OG 3.22Å
443E41Very low56.9Low181 Ų18178.8 Ų78.885%0.84648%0.483SS*.SBendtrans-48.7152.1148.2-70.4-169150.200109.3S445E443-S445 VanDerWaalsContact C-N 3.32Å; E443-S445 PolarHBondContact O-N 2.8Å; E443-S445 PolarHBondContact O-OG 2.98Å
444E50.7Low59.9Low96 Ų9677 Ų7745%0.44947%0.47SS..  trans-54.685.8-164.6-167.7170.6-142.900114S119S119-E444 VanDerWaalsContact CB-OE1 3.22Å; S119-E444 WeakPolarHBondContact CB-OE1 3.43Å; S119-E444 PolarHBondContact OG-OE1 3.32Å
445S58.9Low62.5Low41 Ų4170.5 Ų70.529%0.28743%0.426SS..PPolyproline II helixtrans-61.9123.4-179.9-73.10000108.7L442 E443 L447L442-S445 WeakPolarHBondContact CD1-OG 3.23Å; L442-S445 WeakPolarHBondContact CG-OG 3.22Å; E443-S445 VanDerWaalsContact C-N 3.32Å; E443-S445 PolarHBondContact O-N 2.8Å; E443-S445 PolarHBondContact O-OG 2.98Å; S445-L447 PolarHBondContact O-N 3.42Å
446P81.6Confident65.3Low103 Ų10370.2 Ų70.267%0.66940%0.4SS*.PPolyproline II helixtrans-61.6116-171.923.3-33.4000109.7V448P446-V448 PolarHBondContact O-N 2.91Å
447L89.1Confident68.1Low48 Ų4867.2 Ų67.225%0.25138%0.379SS..PPolyproline II helixtrans-66127.3174.3-71.4175.2000109C114 F243 L244 T245 S445C114-L447 HydrophobicContact CB-CD1 4.27Å; F243-L447 HydrophobicContact CB-CB 4.19Å; F243-L447 HydrophobicContact CB-CD1 4.44Å; F243-L447 HydrophobicContact CD1-CB 4.36Å; L244-L447 CarbonylContact O-C 3.57Å; L244-L447 WeakPolarHBondContact O-CA 3.4Å; T245-L447 HydrophobicContact CG2-CD2 4.21Å; S445-L447 PolarHBondContact O-N 3.42Å
448V91.6Very high70.8Confident42 Ų4266.7 Ų66.726%0.25537%0.369SS..EExtended strand (participates in β ladder)trans-89120-175.1-168.60000109.1F243 L244 L249 P446 M450F243-V448 WeakPolarHBondContact CA-O 3.45Å; L244-V448 PolarHBondContact N-O 2.9Å; L244-V448 PolarHBondContact O-N 2.9Å; L249-V448 HydrophobicContact CD2-CB 4.14Å; L249-V448 HydrophobicContact CD2-CG1 3.92Å; L249-V448 HydrophobicContact CD2-CG2 4.03Å; P446-V448 PolarHBondContact O-N 2.91Å; V448-M450 HydrophobicContact CG1-CE 3.72Å
449P92.5Very high73.6Confident75 Ų7562.5 Ų62.549%0.48734%0.34SS..EExtended strand (participates in β ladder)trans-70135.9177.829.1-34.3000110.9F243 P468F243-P449 HydrophobicContact CD1-CB 4.32Å; F243-P449 HydrophobicContact CE1-CB 4.15Å; P449-P468 VanDerWaalsContact O-CG 3.31Å; P449-P468 WeakPolarHBondContact O-CG 3.06Å
450M93.6Very high75.9Confident16 Ų1656.5 Ų56.58%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-140.7172.8-178.7-71-71152.400108.9L187 V242 L244 L249 V448 L465L187-M450 HydrophobicContact CD1-CE 4.42Å; L187-M450 HydrophobicContact CD1-SD 3.77Å; V242-M450 HydrophobicContact CG2-CB 4.02Å; V242-M450 PolarHBondContact N-O 2.85Å; V242-M450 PolarHBondContact O-N 2.79Å; L244-M450 HydrophobicContact CD1-CG 3.79Å; L244-M450 HydrophobicContact CG-CG 4.04Å; L249-M450 HydrophobicContact CD1-CE 3.94Å; L249-M450 HydrophobicContact CD2-CE 4.05Å; V448-M450 HydrophobicContact CG1-CE 3.72Å; M450-L465 HydrophobicContact CB-CD1 4.23Å
451A93Very high78.8Confident8 Ų848.7 Ų48.77%0.06627%0.271CS..EExtended strand (participates in β ladder)trans-116.7142.6169.900000111.2V466 M471A451-V466 HydrophobicContact CB-CG2 3.77Å; A451-V466 PolarHBondContact N-O 2.86Å; A451-V466 WeakPolarHBondContact O-CG2 3.12Å; A451-V466 PolarHBondContact O-N 2.92Å; A451-M471 HydrophobicContact CB-CG 4.35Å
452L92.9Very high81.7Confident0 Ų043.3 Ų43.30%023%0.234CC..EExtended strand (participates in β ladder)trans-101.899.5168.4-17864.2000107.9Y116 V210 S239 T240 V242 M454 A463Y116-L452 HydrophobicContact CE1-CD2 4.37Å; V210-L452 HydrophobicContact CG1-CD1 3.96Å; V210-L452 HydrophobicContact CG1-CD2 4.32Å; V210-L452 HydrophobicContact CG2-CD1 3.9Å; V210-L452 HydrophobicContact CG2-CD2 4.34Å; S239-L452 WeakPolarHBondContact CA-O 3.27Å; T240-L452 PolarHBondContact N-O 2.98Å; T240-L452 PolarHBondContact O-N 3.27Å; V242-L452 HydrophobicContact CG1-CB 3.74Å; V242-L452 HydrophobicContact CG1-CD2 4.38Å; V242-L452 HydrophobicContact CG2-CB 4.04Å; L452-M454 HydrophobicContact CD2-CG 4.49Å; L452-M454 HydrophobicContact CD2-SD 4.29Å; L452-M454 HydrophobicContact CG-CG 4.11Å; L452-A463 HydrophobicContact CD1-CB 4.28Å
453Y92.1Very high84.2Confident1 Ų139.7 Ų39.70%0.00422%0.215CC..EExtended strand (participates in β ladder)trans-81.3127.2173.9171.5-91.9000109.4V237 H455 A463 L464 F470 M477 V480V237-Y453 HydrophobicContact CB-CE2 4.47Å; V237-Y453 HydrophobicContact CG1-CD2 4.09Å; V237-Y453 HydrophobicContact CG1-CE2 3.33Å; V237-Y453 HydrophobicContact CG2-CE2 4.36Å; V237-Y453 WeakPolarHBondContact CG2-OH 3.27Å; Y453-H455 HydrophobicContact CE1-CB 3.85Å; Y453-A463 CarbonylContact O-C 3.6Å; Y453-A463 WeakPolarHBondContact O-CA 3.4Å; Y453-L464 HydrophobicContact CD1-CB 4.11Å; Y453-L464 HydrophobicContact CD1-CD1 3.96Å; Y453-L464 HydrophobicContact CD1-CG 4.14Å; Y453-L464 HydrophobicContact CE1-CD1 4.29Å; Y453-L464 PolarHBondContact N-O 3.36Å; Y453-L464 PolarHBondContact O-N 2.85Å; Y453-F470 AromaticContact CD2-CE1 3.83Å; Y453-F470 HydrophobicContact CD2-CE1 3.83Å; Y453-F470 HydrophobicContact CE2-CE1 4.2Å; Y453-F470 HydrophobicContact CG-CE1 4.01Å; Y453-M477 HydrophobicContact CD2-CE 4.15Å; Y453-M477 HydrophobicContact CD2-SD 3.99Å; Y453-M477 HydrophobicContact CE2-CE 3.99Å; Y453-M477 HydrophobicContact CE2-SD 3.25Å; Y453-M477 WeakPolarHBondContact CE2-SD 3.13Å; Y453-V480 HydrophobicContact CE1-CG1 4.4Å
454M90.4Very high86.7Confident17 Ų1731 Ų318%0.08418%0.175CC..EExtended strand (participates in β ladder)trans-125.7120.9179.2-59.9-166.8-59.900111H213 V237 S238 L452 V461 L462 A463H213-M454 HydrophobicContact CB-CE 4.23Å; V237-M454 CarbonylContact C-O 3.6Å; V237-M454 WeakPolarHBondContact CA-O 3.33Å; S238-M454 PolarHBondContact N-O 3.27Å; S238-M454 PolarHBondContact O-N 2.86Å; L452-M454 HydrophobicContact CD2-CG 4.49Å; L452-M454 HydrophobicContact CD2-SD 4.29Å; L452-M454 HydrophobicContact CG-CG 4.11Å; M454-V461 HydrophobicContact CB-CG1 4.35Å; M454-L462 WeakPolarHBondContact CA-O 3.44Å; M454-A463 HydrophobicContact CG-CB 4.36Å
455H89.3Confident88.8Confident0 Ų026.5 Ų26.50%015%0.153CC..EExtended strand (participates in β ladder)trans-112.1114.8176.1-175159.3000109.1L236 V237 Y453 V461 L462 N481L236-H455 WeakPolarHBondContact CD2-NE2 3.37Å; L236-H455 CarbonylContact O-C 3.6Å; L236-H455 WeakPolarHBondContact O-CA 3.47Å; V237-H455 HydrophobicContact CG2-CB 4.39Å; Y453-H455 HydrophobicContact CE1-CB 3.85Å; H455-V461 WeakPolarHBondContact O-CA 3.44Å; H455-L462 HydrophobicContact CB-CB 4.42Å; H455-L462 PolarHBondContact N-O 3.3Å; H455-L462 PolarHBondContact O-N 3.05Å; H455-N481 PolarHBondContact CE1-OD1 2.96Å
456R88Confident90.4Very high72 Ų7224.5 Ų24.527%0.27214%0.14SC..EExtended strand (participates in β ladder)trans-96126.8-177.7180170.3-154.59224.4112E214 L236 N458 V461E214-R456 IonicContact OE1-CZ 3.74Å; E214-R456 IonicContact OE1-NH1 3.96Å; E214-R456 PolarHBondContact OE1-NH1 3.04Å; E214-R456 IonicContact OE2-CZ 2.69Å; E214-R456 IonicContact OE2-NH1 3.74Å; E214-R456 PolarHBondContact OE2-NH1 2.81Å; E214-R456 IonicContact OE2-NH2 2.78Å; E214-R456 PolarHBondContact OE2-NH2 2.94Å; L236-R456 WeakPolarHBondContact CD1-O 3.47Å; L236-R456 WeakPolarHBondContact CG-O 3.15Å; L236-R456 PolarHBondContact O-N 3.22Å; R456-N458 PolarHBondContact NE-O 3.29Å; R456-N458 PolarHBondContact NH2-O 2.96Å; R456-N458 VanDerWaalsContact NH2-O 3.1Å; R456-V461 HydrophobicContact CB-CG2 4.08Å; R456-V461 HydrophobicContact CG-CG2 3.96Å
457V87.4Confident91Very high6 Ų621.1 Ų21.14%0.03612%0.116CC..EExtended strand (participates in β ladder)trans-123.592.7171.6-179.70000108.2S459 L460 L488 N489 E492V457-S459 PolarHBondContact O-N 3.37Å; V457-L460 CarbonylContact C-O 3.53Å; V457-L460 PolarHBondContact N-O 3.12Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.17Å; V457-L460 VanDerWaalsContact O-O 3.09Å; V457-L488 HydrophobicContact CG2-CB 4.08Å; V457-L488 HydrophobicContact CG2-CD1 4.23Å; V457-N489 WeakPolarHBondContact CG1-OD1 3.3Å; V457-E492 HydrophobicContact CG1-CB 4.5Å
458N84.8Confident91Very high93 Ų9321.8 Ų21.850%0.49712%0.123SC..THydrogen-bonded Turntrans55.5-104.4-179-53.7-52.2000114R456 E492 R496R456-N458 PolarHBondContact NE-O 3.29Å; R456-N458 PolarHBondContact NH2-O 2.96Å; R456-N458 VanDerWaalsContact NH2-O 3.1Å; N458-E492 HydrophobicContact CB-CG 4.49Å; N458-E492 WeakPolarHBondContact CB-OE1 3.31Å; N458-E492 PolarHBondContact ND2-OE2 2.69Å; N458-R496 VanDerWaalsContact CB-NH2 3.25Å; N458-R496 PolarHBondContact ND2-NH2 3.05Å
459S84.8Confident90.9Very high30 Ų3027.8 Ų27.821%0.2114%0.141CC..THydrogen-bonded Turntrans-93.7-5.9176.4-64.70000114F193 R194 V457 E492F193-S459 WeakPolarHBondContact CA-O 3.41Å; F193-S459 WeakPolarHBondContact CD2-O 3.5Å; R194-S459 PolarHBondContact N-O 3.38Å; V457-S459 PolarHBondContact O-N 3.37Å; S459-E492 WeakPolarHBondContact CB-OE1 3.4Å; S459-E492 PolarHBondContact N-OE1 3.49Å
460L89.6Confident90.7Very high1 Ų124.2 Ų24.21%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-103.1143.7177.7-165.876.1000109.7I191 L192 F193 V198 V457 L488 L491 E492 L495I191-L460 HydrophobicContact CG2-CD1 3.45Å; I191-L460 VanDerWaalsContact CG2-CD1 3.45Å; I191-L460 HydrophobicContact CG2-CD2 4.26Å; I191-L460 HydrophobicContact CG2-CG 3.91Å; L192-L460 CarbonylContact O-C 3.59Å; L192-L460 VanDerWaalsContact O-CA 3.28Å; L192-L460 WeakPolarHBondContact O-CA 3.21Å; F193-L460 HydrophobicContact CB-CD1 3.85Å; F193-L460 HydrophobicContact CD2-CB 4.33Å; F193-L460 HydrophobicContact CD2-CD1 4.02Å; F193-L460 HydrophobicContact CG-CD1 4.38Å; V198-L460 HydrophobicContact CG2-CD1 4.16Å; V457-L460 CarbonylContact C-O 3.53Å; V457-L460 PolarHBondContact N-O 3.12Å; V457-L460 WeakPolarHBondContact O-CB 3.49Å; V457-L460 PolarHBondContact O-N 3.17Å; V457-L460 VanDerWaalsContact O-O 3.09Å; L460-L488 HydrophobicContact CD2-CB 4.21Å; L460-L488 HydrophobicContact CD2-CD2 3.7Å; L460-L491 HydrophobicContact CD2-CB 4.35Å; L460-L491 HydrophobicContact CD2-CD2 4.2Å; L460-L491 HydrophobicContact CD2-CG 4.31Å; L460-E492 HydrophobicContact CB-CB 3.92Å; L460-E492 HydrophobicContact CB-CG 3.51Å; L460-E492 HydrophobicContact CD2-CB 4.02Å; L460-L495 HydrophobicContact CD1-CD1 3.84Å
461V91.1Very high90.3Very high2 Ų227.7 Ų27.71%0.01214%0.135CC..EExtended strand (participates in β ladder)trans-134.8129.3171.7178.50000109.4I191 L192 E214 M454 H455 R456I191-V461 WeakPolarHBondContact CA-O 3.36Å; L192-V461 PolarHBondContact N-O 3.45Å; L192-V461 PolarHBondContact O-N 2.87Å; E214-V461 HydrophobicContact CG-CB 4.1Å; E214-V461 HydrophobicContact CG-CG1 4.23Å; E214-V461 HydrophobicContact CG-CG2 4.02Å; E214-V461 WeakPolarHBondContact OE2-CG2 3.47Å; M454-V461 HydrophobicContact CB-CG1 4.35Å; H455-V461 WeakPolarHBondContact O-CA 3.44Å; R456-V461 HydrophobicContact CB-CG2 4.08Å; R456-V461 HydrophobicContact CG-CG2 3.96Å
462L92.8Very high90Very high1 Ų130.9 Ų30.91%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-92.6116.5166.3172.464.5000107.8L177 I191 M454 H455 L464 L488L177-L462 HydrophobicContact CD2-CD1 3.48Å; L177-L462 VanDerWaalsContact CD2-CD1 3.48Å; I191-L462 HydrophobicContact CD1-CD1 4.4Å; I191-L462 HydrophobicContact CG1-CD1 3.78Å; M454-L462 WeakPolarHBondContact CA-O 3.44Å; H455-L462 HydrophobicContact CB-CB 4.42Å; H455-L462 PolarHBondContact N-O 3.3Å; H455-L462 PolarHBondContact O-N 3.05Å; L462-L464 HydrophobicContact CD1-CD2 3.74Å; L462-L464 HydrophobicContact CD1-CG 4.26Å; L462-L464 HydrophobicContact CD2-CD1 4.37Å; L462-L464 HydrophobicContact CD2-CD2 4.44Å; L462-L464 HydrophobicContact CD2-CG 4.34Å; L462-L464 HydrophobicContact CG-CD2 4.12Å; L462-L464 HydrophobicContact CG-CG 4.09Å; L462-L488 HydrophobicContact CB-CD1 3.91Å; L462-L488 HydrophobicContact CB-CD2 4.15Å; L462-L488 HydrophobicContact CD2-CD1 3.94Å
463A93.6Very high89.9Confident0 Ų033.4 Ų33.40%018%0.182CC..EExtended strand (participates in β ladder)trans-107.4123172.300000109.1G189 C190 V210 L452 Y453 M454G189-A463 CarbonylContact C-O 3.46Å; G189-A463 WeakPolarHBondContact CA-O 3.45Å; C190-A463 PolarHBondContact N-O 3.47Å; C190-A463 PolarHBondContact O-N 3.23Å; V210-A463 HydrophobicContact CG1-CB 3.61Å; L452-A463 HydrophobicContact CD1-CB 4.28Å; Y453-A463 CarbonylContact O-C 3.6Å; Y453-A463 WeakPolarHBondContact O-CA 3.4Å; M454-A463 HydrophobicContact CG-CB 4.36Å
464L93.7Very high89.6Confident0 Ų037.2 Ų37.20%021%0.209CC..EExtended strand (participates in β ladder)trans-116.9132.1177.3-59.6-178.7000109.6L177 C180 V186 Y453 L462 V466 V480L177-L464 HydrophobicContact CD2-CD2 4.37Å; C180-L464 HydrophobicContact CB-CD1 4.02Å; C180-L464 HydrophobicContact CB-CD2 3.98Å; V186-L464 HydrophobicContact CG1-CB 4.34Å; V186-L464 HydrophobicContact CG1-CD1 4.21Å; V186-L464 HydrophobicContact CG1-CD2 4.11Å; V186-L464 HydrophobicContact CG1-CG 4.46Å; V186-L464 HydrophobicContact CG2-CD1 4.25Å; Y453-L464 HydrophobicContact CD1-CB 4.11Å; Y453-L464 HydrophobicContact CD1-CD1 3.96Å; Y453-L464 HydrophobicContact CD1-CG 4.14Å; Y453-L464 HydrophobicContact CE1-CD1 4.29Å; Y453-L464 PolarHBondContact N-O 3.36Å; Y453-L464 PolarHBondContact O-N 2.85Å; L462-L464 HydrophobicContact CD1-CD2 3.74Å; L462-L464 HydrophobicContact CD1-CG 4.26Å; L462-L464 HydrophobicContact CD2-CD1 4.37Å; L462-L464 HydrophobicContact CD2-CD2 4.44Å; L462-L464 HydrophobicContact CD2-CG 4.34Å; L462-L464 HydrophobicContact CG-CD2 4.12Å; L462-L464 HydrophobicContact CG-CG 4.09Å; L464-V466 HydrophobicContact CB-CG1 3.82Å; L464-V480 HydrophobicContact CD1-CG1 3.52Å
465L93.8Very high89.6Confident0 Ų039.5 Ų39.50%023%0.231CC..EExtended strand (participates in β ladder)trans-91.9118.4169.4-172.670.2000108.4L187 A188 M202 L206 V242 L244 L252 M450L187-L465 WeakPolarHBondContact CB-O 3.43Å; L187-L465 PolarHBondContact N-O 2.9Å; A188-L465 PolarHBondContact O-N 2.99Å; M202-L465 HydrophobicContact SD-CB 4.37Å; M202-L465 HydrophobicContact SD-CD2 4.44Å; L206-L465 HydrophobicContact CD2-CD2 4Å; V242-L465 HydrophobicContact CG2-CD1 3.66Å; L244-L465 HydrophobicContact CD1-CD2 3.84Å; L244-L465 HydrophobicContact CD2-CD1 4.47Å; L244-L465 HydrophobicContact CD2-CD2 4.05Å; L244-L465 HydrophobicContact CG-CD2 4.48Å; L252-L465 HydrophobicContact CD1-CD2 3.41Å; L252-L465 VanDerWaalsContact CD1-CD2 3.41Å; M450-L465 HydrophobicContact CB-CD1 4.23Å
466V93.7Very high89.5Confident0 Ų040 Ų400%023%0.234CC..EExtended strand (participates in β ladder)trans-130.7152.6-167.4-53.30000111.9L185 V186 A451 L464 F470L185-V466 CarbonylContact O-C 3.57Å; L185-V466 VanDerWaalsContact O-CA 3.27Å; L185-V466 WeakPolarHBondContact O-CA 3.37Å; L185-V466 WeakPolarHBondContact O-CB 3.42Å; V186-V466 HydrophobicContact CB-CG1 4.47Å; V186-V466 HydrophobicContact CG2-CG1 4.01Å; A451-V466 HydrophobicContact CB-CG2 3.77Å; A451-V466 PolarHBondContact N-O 2.86Å; A451-V466 WeakPolarHBondContact O-CG2 3.12Å; A451-V466 PolarHBondContact O-N 2.92Å; L464-V466 HydrophobicContact CB-CG1 3.82Å; V466-F470 HydrophobicContact CB-CB 3.92Å; V466-F470 HydrophobicContact CB-CD1 4.05Å; V466-F470 HydrophobicContact CB-CG 4.01Å; V466-F470 HydrophobicContact CG1-CD1 4.05Å; V466-F470 HydrophobicContact CG1-CE1 4.3Å; V466-F470 HydrophobicContact CG1-CG 4.27Å; V466-F470 HydrophobicContact CG2-CB 3.79Å; V466-F470 HydrophobicContact CG2-CD1 3.67Å; V466-F470 HydrophobicContact CG2-CG 3.98Å
467D92.6Very high89.5Confident31 Ų3138.4 Ų38.417%0.16623%0.23CC..  trans-58.5138.3169-175.6-66000110L185 R469 F470L185-D467 HydrophobicContact CB-CB 4.32Å; L185-D467 HydrophobicContact CD2-CB 4.18Å; L185-D467 PolarHBondContact O-N 2.77Å; D467-R469 VanDerWaalsContact CG-NE 3.35Å; D467-R469 PolarHBondContact O-N 3.31Å; D467-R469 WeakPolarHBondContact OD1-CB 3.42Å; D467-R469 VanDerWaalsContact OD1-CG 3.23Å; D467-R469 WeakPolarHBondContact OD1-CG 3.4Å; D467-R469 IonicContact OD1-CZ 2.71Å; D467-R469 PolarHBondContact OD1-N 2.87Å; D467-R469 IonicContact OD1-NE 3.18Å; D467-R469 PolarHBondContact OD1-NE 2.83Å; D467-R469 IonicContact OD1-NH2 3.98Å; D467-R469 IonicContact OD2-CZ 3.15Å; D467-R469 IonicContact OD2-NE 2.78Å; D467-R469 PolarHBondContact OD2-NE 2.82Å; D467-R469 IonicContact OD2-NH2 2.69Å; D467-R469 PolarHBondContact OD2-NH2 2.76Å; D467-F470 WeakPolarHBondContact O-CB 3.43Å; D467-F470 PolarHBondContact O-N 2.63Å
468P90.1Very high89.5Confident63 Ų6343.2 Ų43.241%0.40925%0.253SS..G310 helixtrans-52.5-27.5-179.8-28.736000114.7P449 F470 M471P449-P468 VanDerWaalsContact O-CG 3.31Å; P449-P468 WeakPolarHBondContact O-CG 3.06Å; P468-F470 PolarHBondContact O-N 2.88Å; P468-M471 PolarHBondContact O-N 2.81Å
469R89.4Confident89.6Confident168 Ų16843.7 Ų43.763%0.63425%0.252SS*.G310 helixtrans-64.9-23.3177-63.4172.7-69.5158.5-1113.4D467 M471 G472 D473D467-R469 VanDerWaalsContact CG-NE 3.35Å; D467-R469 PolarHBondContact O-N 3.31Å; D467-R469 WeakPolarHBondContact OD1-CB 3.42Å; D467-R469 VanDerWaalsContact OD1-CG 3.23Å; D467-R469 WeakPolarHBondContact OD1-CG 3.4Å; D467-R469 IonicContact OD1-CZ 2.71Å; D467-R469 PolarHBondContact OD1-N 2.87Å; D467-R469 IonicContact OD1-NE 3.18Å; D467-R469 PolarHBondContact OD1-NE 2.83Å; D467-R469 IonicContact OD1-NH2 3.98Å; D467-R469 IonicContact OD2-CZ 3.15Å; D467-R469 IonicContact OD2-NE 2.78Å; D467-R469 PolarHBondContact OD2-NE 2.82Å; D467-R469 IonicContact OD2-NH2 2.69Å; D467-R469 PolarHBondContact OD2-NH2 2.76Å; R469-M471 PolarHBondContact O-N 2.82Å; R469-G472 PolarHBondContact O-N 2.78Å; R469-D473 PolarHBondContact O-N 2.85Å
470F88.6Confident89.8Confident0 Ų042.3 Ų42.30%024%0.242CC..G310 helixtrans-56.5-34.3177.8-176.4-105.6000112.6L185 V186 Y453 V466 D467 P468 G472 D473 M477 V480L185-F470 HydrophobicContact CB-CB 4.05Å; L185-F470 HydrophobicContact CB-CD2 3.94Å; L185-F470 HydrophobicContact CB-CG 4.46Å; L185-F470 HydrophobicContact CD1-CB 4.25Å; L185-F470 HydrophobicContact CD1-CD2 4.32Å; V186-F470 HydrophobicContact CG2-CE2 4.25Å; Y453-F470 AromaticContact CD2-CE1 3.83Å; Y453-F470 HydrophobicContact CD2-CE1 3.83Å; Y453-F470 HydrophobicContact CE2-CE1 4.2Å; Y453-F470 HydrophobicContact CG-CE1 4.01Å; V466-F470 HydrophobicContact CB-CB 3.92Å; V466-F470 HydrophobicContact CB-CD1 4.05Å; V466-F470 HydrophobicContact CB-CG 4.01Å; V466-F470 HydrophobicContact CG1-CD1 4.05Å; V466-F470 HydrophobicContact CG1-CE1 4.3Å; V466-F470 HydrophobicContact CG1-CG 4.27Å; V466-F470 HydrophobicContact CG2-CB 3.79Å; V466-F470 HydrophobicContact CG2-CD1 3.67Å; V466-F470 HydrophobicContact CG2-CG 3.98Å; D467-F470 WeakPolarHBondContact O-CB 3.43Å; D467-F470 PolarHBondContact O-N 2.63Å; P468-F470 PolarHBondContact O-N 2.88Å; F470-G472 PolarHBondContact O-N 2.82Å; F470-D473 PolarHBondContact O-N 3.07Å; F470-M477 HydrophobicContact CD1-CE 3.57Å; F470-M477 HydrophobicContact CE1-CE 3.28Å; F470-M477 HydrophobicContact CE1-SD 3.68Å; F470-M477 HydrophobicContact CG-CE 4.48Å; F470-M477 HydrophobicContact CZ-CE 3.98Å; F470-M477 HydrophobicContact CZ-SD 3.96Å; F470-V480 HydrophobicContact CE2-CB 4.46Å; F470-V480 HydrophobicContact CE2-CG2 3.88Å; F470-V480 HydrophobicContact CZ-CB 4.08Å; F470-V480 HydrophobicContact CZ-CG1 4.3Å; F470-V480 HydrophobicContact CZ-CG2 3.94Å
471M85.6Confident89.6Confident88 Ų8844.7 Ų44.743%0.43326%0.255SS..G310 helixtrans-73.1-12.7178.6-60.5-50.4-4900113.7S239 A451 P468 R469 M477S239-M471 PolarHBondContact OG-SD 2.96Å; A451-M471 HydrophobicContact CB-CG 4.35Å; P468-M471 PolarHBondContact O-N 2.81Å; R469-M471 PolarHBondContact O-N 2.82Å; M471-M477 HydrophobicContact CE-CE 3.79Å; M471-M477 HydrophobicContact SD-CE 3.85Å
472G85.2Confident89.3Confident75 Ų7551.5 Ų51.577%0.77329%0.286SS*.G310 helixtrans-100.2-5.7173.200000114.5R469 F470R469-G472 PolarHBondContact O-N 2.78Å; F470-G472 PolarHBondContact O-N 2.82Å
473D90.5Very high88.8Confident53 Ų5353.4 Ų53.428%0.28330%0.3SS..  trans-110.696.3-178.1-179.70.8000110.9L185 R469 F470 A475 S476 M477L185-D473 HydrophobicContact CD1-CB 4.26Å; R469-D473 PolarHBondContact O-N 2.85Å; F470-D473 PolarHBondContact O-N 3.07Å; D473-A475 VanDerWaalsContact C-N 3.25Å; D473-A475 PolarHBondContact O-N 2.84Å; D473-A475 WeakPolarHBondContact OD1-CB 3.46Å; D473-A475 PolarHBondContact OD1-N 2.75Å; D473-S476 PolarHBondContact OD1-N 2.82Å; D473-S476 VanDerWaalsContact OD1-N 3.09Å; D473-S476 WeakPolarHBondContact OD2-CB 3.38Å; D473-S476 PolarHBondContact OD2-OG 3.42Å; D473-M477 WeakPolarHBondContact O-CB 3.46Å; D473-M477 PolarHBondContact O-N 3.01Å
474S87.4Confident88.4Confident82 Ų8253.4 Ų53.457%0.57330%0.3SS*.Hα-helixtrans-65.6-25.8177.761.30000113.2M477 E478S474-M477 WeakPolarHBondContact O-CB 3.45Å; S474-M477 PolarHBondContact O-N 2.65Å; S474-E478 WeakPolarHBondContact O-CB 3.34Å; S474-E478 VanDerWaalsContact O-CG 3.3Å; S474-E478 WeakPolarHBondContact O-CG 3.29Å; S474-E478 PolarHBondContact O-N 2.81Å
475A89.1Confident87.9Confident65 Ų6556.3 Ų56.354%0.53732%0.315SS..Hα-helixtrans-73-45.9179.200000111D473 M477 E478 E479D473-A475 VanDerWaalsContact C-N 3.25Å; D473-A475 PolarHBondContact O-N 2.84Å; D473-A475 WeakPolarHBondContact OD1-CB 3.46Å; D473-A475 PolarHBondContact OD1-N 2.75Å; A475-M477 VanDerWaalsContact C-N 3.3Å; A475-M477 PolarHBondContact O-N 3.41Å; A475-E478 PolarHBondContact O-N 2.89Å; A475-E479 PolarHBondContact O-N 3.34Å
476S88.3Confident87.2Confident11 Ų1159.7 Ų59.78%0.07734%0.343CS..Hα-helixtrans-60.3-40.3170.8-74.40000112C183 D473 E479 V480C183-S476 VanDerWaalsContact SG-CB 3.57Å; C183-S476 PolarHBondContact SG-OG 3.02Å; D473-S476 PolarHBondContact OD1-N 2.82Å; D473-S476 VanDerWaalsContact OD1-N 3.09Å; D473-S476 WeakPolarHBondContact OD2-CB 3.38Å; D473-S476 PolarHBondContact OD2-OG 3.42Å; S476-E479 PolarHBondContact O-N 2.87Å; S476-V480 WeakPolarHBondContact O-CG2 3.19Å; S476-V480 PolarHBondContact O-N 2.84Å; S476-V480 VanDerWaalsContact O-N 3.08Å
477M87.6Confident87Confident38 Ų3861.8 Ų61.819%0.18736%0.358CS..Hα-helixtrans-60.7-46.2176.1-171.9646400112Y453 F470 M471 D473 S474 A475 N481Y453-M477 HydrophobicContact CD2-CE 4.15Å; Y453-M477 HydrophobicContact CD2-SD 3.99Å; Y453-M477 HydrophobicContact CE2-CE 3.99Å; Y453-M477 HydrophobicContact CE2-SD 3.25Å; Y453-M477 WeakPolarHBondContact CE2-SD 3.13Å; F470-M477 HydrophobicContact CD1-CE 3.57Å; F470-M477 HydrophobicContact CE1-CE 3.28Å; F470-M477 HydrophobicContact CE1-SD 3.68Å; F470-M477 HydrophobicContact CG-CE 4.48Å; F470-M477 HydrophobicContact CZ-CE 3.98Å; F470-M477 HydrophobicContact CZ-SD 3.96Å; M471-M477 HydrophobicContact CE-CE 3.79Å; M471-M477 HydrophobicContact SD-CE 3.85Å; D473-M477 WeakPolarHBondContact O-CB 3.46Å; D473-M477 PolarHBondContact O-N 3.01Å; S474-M477 WeakPolarHBondContact O-CB 3.45Å; S474-M477 PolarHBondContact O-N 2.65Å; A475-M477 VanDerWaalsContact C-N 3.3Å; A475-M477 PolarHBondContact O-N 3.41Å; M477-N481 WeakPolarHBondContact O-CB 3.32Å; M477-N481 PolarHBondContact O-N 3.23Å
478E87.7Confident86.8Confident107 Ų10760.4 Ų60.450%0.535%0.35SS..Hα-helixtrans-69.2-38.4178.3-76.5174.3-149.100112.3S474 A475 N481 H482S474-E478 WeakPolarHBondContact O-CB 3.34Å; S474-E478 VanDerWaalsContact O-CG 3.3Å; S474-E478 WeakPolarHBondContact O-CG 3.29Å; S474-E478 PolarHBondContact O-N 2.81Å; A475-E478 PolarHBondContact O-N 2.89Å; E478-N481 PolarHBondContact O-N 3.33Å; E478-H482 WeakPolarHBondContact O-CB 3.44Å; E478-H482 PolarHBondContact O-N 2.92Å; E478-H482 PolarHBondContact O-ND1 2.92Å
479E87.8Confident86.8Confident103 Ų10360.7 Ų60.748%0.48135%0.348SS..Hα-helixtrans-60.6-47.6174.7-174.6-177.1-16800111.3A475 S476 N481 S483A475-E479 PolarHBondContact O-N 3.34Å; S476-E479 PolarHBondContact O-N 2.87Å; E479-N481 VanDerWaalsContact C-N 3.32Å; E479-N481 PolarHBondContact O-N 2.98Å; E479-S483 VanDerWaalsContact O-CB 3.29Å; E479-S483 WeakPolarHBondContact O-CB 3.4Å; E479-S483 PolarHBondContact O-N 3.09Å; E479-S483 PolarHBondContact O-OG 2.94Å
480V87.6Confident86.8Confident1 Ų153.8 Ų53.81%0.00633%0.33CS..Hα-helixtrans-63.2-38.5176.8169.20000111.4C183 V186 Y453 L464 F470 S476 S483 S484C183-V480 HydrophobicContact CB-CG2 3.88Å; V186-V480 HydrophobicContact CG2-CG2 4.02Å; Y453-V480 HydrophobicContact CE1-CG1 4.4Å; L464-V480 HydrophobicContact CD1-CG1 3.52Å; F470-V480 HydrophobicContact CE2-CB 4.46Å; F470-V480 HydrophobicContact CE2-CG2 3.88Å; F470-V480 HydrophobicContact CZ-CB 4.08Å; F470-V480 HydrophobicContact CZ-CG1 4.3Å; F470-V480 HydrophobicContact CZ-CG2 3.94Å; S476-V480 WeakPolarHBondContact O-CG2 3.19Å; S476-V480 PolarHBondContact O-N 2.84Å; S476-V480 VanDerWaalsContact O-N 3.08Å; V480-S483 PolarHBondContact O-OG 2.83Å; V480-S484 VanDerWaalsContact O-CB 3.27Å; V480-S484 WeakPolarHBondContact O-CB 3.39Å; V480-S484 PolarHBondContact O-N 3.04Å; V480-S484 PolarHBondContact O-OG 3.45Å
481N86.3Confident86.8Confident50 Ų5053.8 Ų53.827%0.26733%0.33SS..Hα-helixtrans-66.7-52.9177.2-167.85.2000111.7H455 M477 E478 E479 S483 S484 L485H455-N481 PolarHBondContact CE1-OD1 2.96Å; M477-N481 WeakPolarHBondContact O-CB 3.32Å; M477-N481 PolarHBondContact O-N 3.23Å; E478-N481 PolarHBondContact O-N 3.33Å; E479-N481 VanDerWaalsContact C-N 3.32Å; E479-N481 PolarHBondContact O-N 2.98Å; N481-S483 PolarHBondContact O-N 3.48Å; N481-S484 PolarHBondContact O-N 3.11Å; N481-S484 PolarHBondContact O-OG 3.18Å; N481-L485 VanDerWaalsContact O-CB 3.23Å; N481-L485 WeakPolarHBondContact O-CB 3.49Å; N481-L485 PolarHBondContact O-N 2.94Å; N481-L485 WeakPolarHBondContact OD1-CD1 3.3Å
482H84.8Confident87.1Confident145 Ų14549.9 Ų49.967%0.67131%0.31SS*.Hα-helixtrans-63.6-38-178.9-7298000112.9E478E478-H482 WeakPolarHBondContact O-CB 3.44Å; E478-H482 PolarHBondContact O-N 2.92Å; E478-H482 PolarHBondContact O-ND1 2.92Å
483S81.8Confident87.2Confident42 Ų4248.7 Ų48.729%0.29429%0.293SS..Hα-helixtrans-71.4-31.5178.257.40000113.5E479 V480 N481 S487E479-S483 VanDerWaalsContact O-CB 3.29Å; E479-S483 WeakPolarHBondContact O-CB 3.4Å; E479-S483 PolarHBondContact O-N 3.09Å; E479-S483 PolarHBondContact O-OG 2.94Å; V480-S483 PolarHBondContact O-OG 2.83Å; N481-S483 PolarHBondContact O-N 3.48Å; S483-S487 PolarHBondContact O-OG 3.12Å
484S85.3Confident87.1Confident0 Ų050.7 Ų50.70%030%0.301CS..Hα-helixtrans-95.7-44.3-176.266.10000114.4V480 N481 A486 S487 L488V480-S484 VanDerWaalsContact O-CB 3.27Å; V480-S484 WeakPolarHBondContact O-CB 3.39Å; V480-S484 PolarHBondContact O-N 3.04Å; V480-S484 PolarHBondContact O-OG 3.45Å; N481-S484 PolarHBondContact O-N 3.11Å; N481-S484 PolarHBondContact O-OG 3.18Å; S484-A486 PolarHBondContact O-N 3.44Å; S484-S487 CarbonylContact O-C 3.24Å; S484-S487 WeakPolarHBondContact O-CA 3.3Å; S484-S487 WeakPolarHBondContact O-CB 3.11Å; S484-S487 PolarHBondContact O-N 3.01Å; S484-L488 WeakPolarHBondContact O-CB 3.43Å; S484-L488 VanDerWaalsContact O-CG 3.3Å; S484-L488 WeakPolarHBondContact O-CG 3.16Å; S484-L488 PolarHBondContact O-N 2.79Å
485L82.1Confident87.1Confident60 Ų6046.9 Ų46.931%0.31427%0.274SS..Hα-helixtrans-58.5-46.7-163.1-176.9150.2000113.9L236 N481 S487 L488 N489L236-L485 HydrophobicContact CD2-CD1 4.1Å; N481-L485 VanDerWaalsContact O-CB 3.23Å; N481-L485 WeakPolarHBondContact O-CB 3.49Å; N481-L485 PolarHBondContact O-N 2.94Å; N481-L485 WeakPolarHBondContact OD1-CD1 3.3Å; L485-S487 VanDerWaalsContact C-N 3.35Å; L485-L488 PolarHBondContact O-N 3.3Å; L485-N489 PolarHBondContact O-N 3.24Å; L485-N489 PolarHBondContact O-ND2 3.15Å
486A80.5Confident86.9Confident72 Ų7249.5 Ų49.560%0.59527%0.27SS*.Hα-helixtrans-65.2-41.2177.800000111.6S484 G490S484-A486 PolarHBondContact O-N 3.44Å; A486-G490 PolarHBondContact O-N 2.89Å; A486-G490 VanDerWaalsContact O-N 3.11Å
487S87.9Confident86.6Confident44 Ų4454.4 Ų54.431%0.30830%0.3SS..Hα-helixtrans-67.3-38.9179.6-56.30000112.4K172 S483 S484 L485 G490 L491K172-S487 WeakPolarHBondContact CE-O 3.34Å; S483-S487 PolarHBondContact O-OG 3.12Å; S484-S487 CarbonylContact O-C 3.24Å; S484-S487 WeakPolarHBondContact O-CA 3.3Å; S484-S487 WeakPolarHBondContact O-CB 3.11Å; S484-S487 PolarHBondContact O-N 3.01Å; L485-S487 VanDerWaalsContact C-N 3.35Å; S487-G490 CarbonylContact O-C 3.57Å; S487-L491 WeakPolarHBondContact O-CB 3.47Å; S487-L491 PolarHBondContact O-N 2.82Å
488L89.8Confident85.9Confident1 Ų154.4 Ų54.41%0.00530%0.302CS..Hα-helixtrans-67.2-49176.5-72.8172.6000112I176 I191 V457 L460 L462 S484 L485 G490 L491 E492I176-L488 HydrophobicContact CD1-CD2 4.31Å; I176-L488 HydrophobicContact CG2-CD2 4.2Å; I176-L488 HydrophobicContact CG2-CG 4.45Å; I191-L488 HydrophobicContact CD1-CD2 4.12Å; V457-L488 HydrophobicContact CG2-CB 4.08Å; V457-L488 HydrophobicContact CG2-CD1 4.23Å; L460-L488 HydrophobicContact CD2-CB 4.21Å; L460-L488 HydrophobicContact CD2-CD2 3.7Å; L462-L488 HydrophobicContact CB-CD1 3.91Å; L462-L488 HydrophobicContact CB-CD2 4.15Å; L462-L488 HydrophobicContact CD2-CD1 3.94Å; S484-L488 WeakPolarHBondContact O-CB 3.43Å; S484-L488 VanDerWaalsContact O-CG 3.3Å; S484-L488 WeakPolarHBondContact O-CG 3.16Å; S484-L488 PolarHBondContact O-N 2.79Å; L485-L488 PolarHBondContact O-N 3.3Å; L488-G490 VanDerWaalsContact C-N 3.3Å; L488-G490 PolarHBondContact O-N 3.26Å; L488-L491 PolarHBondContact O-N 2.89Å; L488-E492 WeakPolarHBondContact O-CB 3.46Å; L488-E492 PolarHBondContact O-N 2.85Å
489N89.8Confident84.3Confident69 Ų6953.2 Ų53.237%0.36931%0.305SS..Hα-helixtrans-56.3-46.8174.7-83.1-77.6000111V457 L485 L491 E492 A493V457-N489 WeakPolarHBondContact CG1-OD1 3.3Å; L485-N489 PolarHBondContact O-N 3.24Å; L485-N489 PolarHBondContact O-ND2 3.15Å; N489-L491 VanDerWaalsContact C-N 3.25Å; N489-L491 PolarHBondContact O-N 2.92Å; N489-E492 PolarHBondContact O-N 2.89Å; N489-A493 PolarHBondContact O-N 2.88Å; N489-A493 VanDerWaalsContact O-N 3.15Å
490G89.2Confident82.8Confident24 Ų2453 Ų5325%0.24731%0.313CS..Hα-helixtrans-70.9-11.317500000115K172 A486 S487 L488 H494K172-G490 PolarHBondContact NZ-O 2.87Å; A486-G490 PolarHBondContact O-N 2.89Å; A486-G490 VanDerWaalsContact O-N 3.11Å; S487-G490 CarbonylContact O-C 3.57Å; L488-G490 VanDerWaalsContact C-N 3.3Å; L488-G490 PolarHBondContact O-N 3.26Å; G490-H494 PolarHBondContact O-ND1 2.83Å
491L89.8Confident80.7Confident0 Ų057.5 Ų57.50%034%0.34CS..Hα-helixtrans-90.1-43.6171.9175.361000110.1L169 K172 A173 I176 I191 L460 S487 L488 N489 A493 H494 L495L169-L491 HydrophobicContact CB-CD1 4.2Å; L169-L491 HydrophobicContact CD2-CD1 4.28Å; K172-L491 HydrophobicContact CD-CB 4.46Å; K172-L491 HydrophobicContact CD-CD1 4.42Å; A173-L491 HydrophobicContact CB-CD2 3.81Å; I176-L491 HydrophobicContact CD1-CB 4.44Å; I176-L491 HydrophobicContact CD1-CD2 4.02Å; I191-L491 HydrophobicContact CD1-CD2 4.33Å; I191-L491 HydrophobicContact CG2-CD2 4.33Å; L460-L491 HydrophobicContact CD2-CB 4.35Å; L460-L491 HydrophobicContact CD2-CD2 4.2Å; L460-L491 HydrophobicContact CD2-CG 4.31Å; S487-L491 WeakPolarHBondContact O-CB 3.47Å; S487-L491 PolarHBondContact O-N 2.82Å; L488-L491 PolarHBondContact O-N 2.89Å; N489-L491 VanDerWaalsContact C-N 3.25Å; N489-L491 PolarHBondContact O-N 2.92Å; L491-A493 VanDerWaalsContact C-N 3.33Å; L491-A493 PolarHBondContact O-N 2.83Å; L491-H494 PolarHBondContact O-N 3.41Å; L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CG 4.11Å; L491-L495 HydrophobicContact CD2-CD1 4.46Å; L491-L495 HydrophobicContact CG-CD1 3.85Å; L491-L495 HydrophobicContact CG-CG 4.38Å; L491-L495 WeakPolarHBondContact O-CG 3.45Å; L491-L495 PolarHBondContact O-N 2.79Å
492E90.8Very high78.6Confident5 Ų558.8 Ų58.82%0.02336%0.357CS..Hα-helixtrans-61.3-39.7179.6-159.4-99.4160.300112.1F193 V457 N458 S459 L460 L488 N489 H494 L495 R496F193-E492 HydrophobicContact CD2-CG 4.49Å; F193-E492 HydrophobicContact CE2-CG 4.15Å; V457-E492 HydrophobicContact CG1-CB 4.5Å; N458-E492 HydrophobicContact CB-CG 4.49Å; N458-E492 WeakPolarHBondContact CB-OE1 3.31Å; N458-E492 PolarHBondContact ND2-OE2 2.69Å; S459-E492 WeakPolarHBondContact CB-OE1 3.4Å; S459-E492 PolarHBondContact N-OE1 3.49Å; L460-E492 HydrophobicContact CB-CB 3.92Å; L460-E492 HydrophobicContact CB-CG 3.51Å; L460-E492 HydrophobicContact CD2-CB 4.02Å; L488-E492 WeakPolarHBondContact O-CB 3.46Å; L488-E492 PolarHBondContact O-N 2.85Å; N489-E492 PolarHBondContact O-N 2.89Å; E492-H494 PolarHBondContact O-N 3.09Å; E492-L495 PolarHBondContact O-N 2.84Å; E492-R496 VanDerWaalsContact CD-NH2 3.3Å; E492-R496 WeakPolarHBondContact O-CG 3.39Å; E492-R496 PolarHBondContact O-N 2.87Å; E492-R496 IonicContact OE1-CZ 2.77Å; E492-R496 IonicContact OE1-NE 2.69Å; E492-R496 PolarHBondContact OE1-NE 2.88Å; E492-R496 IonicContact OE1-NH2 3.72Å; E492-R496 PolarHBondContact OE1-NH2 2.88Å; E492-R496 IonicContact OE2-CZ 3.35Å; E492-R496 IonicContact OE2-NE 3.21Å; E492-R496 PolarHBondContact OE2-NE 3.36Å; E492-R496 VanDerWaalsContact OE2-NE 3.15Å; E492-R496 IonicContact OE2-NH2 3.05Å; E492-R496 PolarHBondContact OE2-NH2 3.25Å
493A88.1Confident76.9Confident51 Ų5156.6 Ų56.642%0.42136%0.356SS..Hα-helixtrans-59.6-43.1176.400000112.8N489 L491 R496 T497N489-A493 PolarHBondContact O-N 2.88Å; N489-A493 VanDerWaalsContact O-N 3.15Å; L491-A493 VanDerWaalsContact C-N 3.33Å; L491-A493 PolarHBondContact O-N 2.83Å; A493-R496 PolarHBondContact O-N 2.88Å; A493-T497 PolarHBondContact O-N 3.27Å
494H87.8Confident75.1Confident95 Ų9562.2 Ų62.244%0.4438%0.383SS..Hα-helixtrans-73.4-38.5177.1-66.598000112.1L169 G490 L491 E492 R496 T497 V498L169-H494 HydrophobicContact CD1-CB 3.96Å; L169-H494 HydrophobicContact CD2-CB 3.6Å; L169-H494 HydrophobicContact CG-CB 4.47Å; G490-H494 PolarHBondContact O-ND1 2.83Å; L491-H494 PolarHBondContact O-N 3.41Å; E492-H494 PolarHBondContact O-N 3.09Å; H494-R496 PolarHBondContact O-N 2.79Å; H494-T497 PolarHBondContact O-N 3.37Å; H494-T497 PolarHBondContact O-OG1 3.15Å; H494-V498 PolarHBondContact O-N 2.78Å; H494-V498 VanDerWaalsContact O-N 3.17Å
495L86.5Confident73.1Confident2 Ų266.4 Ų66.41%0.0142%0.418CS..Hα-helixtrans-66-20.4175.3-69.5174.8000113L160 V165 L169 F193 V198 L460 L491 E492L160-L495 HydrophobicContact CD1-CD2 4.19Å; V165-L495 HydrophobicContact CG1-CD2 4.2Å; L169-L495 HydrophobicContact CD1-CD2 4.3Å; F193-L495 HydrophobicContact CB-CD1 4.18Å; F193-L495 HydrophobicContact CD1-CB 4.1Å; F193-L495 HydrophobicContact CD2-CB 4.1Å; F193-L495 HydrophobicContact CD2-CD1 4.29Å; F193-L495 HydrophobicContact CE1-CB 3.9Å; F193-L495 VanDerWaalsContact CE1-O 3.27Å; F193-L495 WeakPolarHBondContact CE1-O 3.2Å; F193-L495 HydrophobicContact CE2-CB 3.9Å; F193-L495 HydrophobicContact CG-CB 4.19Å; F193-L495 HydrophobicContact CG-CD1 4.13Å; F193-L495 HydrophobicContact CZ-CB 3.79Å; F193-L495 VanDerWaalsContact CZ-O 3.29Å; F193-L495 WeakPolarHBondContact CZ-O 3.5Å; V198-L495 HydrophobicContact CG1-CD1 4.1Å; V198-L495 HydrophobicContact CG2-CD1 3.96Å; L460-L495 HydrophobicContact CD1-CD1 3.84Å; L491-L495 HydrophobicContact CD1-CD1 3.98Å; L491-L495 HydrophobicContact CD1-CG 4.11Å; L491-L495 HydrophobicContact CD2-CD1 4.46Å; L491-L495 HydrophobicContact CG-CD1 3.85Å; L491-L495 HydrophobicContact CG-CG 4.38Å; L491-L495 WeakPolarHBondContact O-CG 3.45Å; L491-L495 PolarHBondContact O-N 2.79Å; E492-L495 PolarHBondContact O-N 2.84Å
496R85.6Confident71.5Confident120 Ų12068.4 Ų68.445%0.45344%0.442SS..Hα-helixtrans-73.4-35.8167.6-72.9179.9-171.217810.2113.7F193 N458 E492 A493 H494 V498F193-R496 HydrophobicContact CZ-CG 4.38Å; N458-R496 VanDerWaalsContact CB-NH2 3.25Å; N458-R496 PolarHBondContact ND2-NH2 3.05Å; E492-R496 VanDerWaalsContact CD-NH2 3.3Å; E492-R496 WeakPolarHBondContact O-CG 3.39Å; E492-R496 PolarHBondContact O-N 2.87Å; E492-R496 IonicContact OE1-CZ 2.77Å; E492-R496 IonicContact OE1-NE 2.69Å; E492-R496 PolarHBondContact OE1-NE 2.88Å; E492-R496 IonicContact OE1-NH2 3.72Å; E492-R496 PolarHBondContact OE1-NH2 2.88Å; E492-R496 IonicContact OE2-CZ 3.35Å; E492-R496 IonicContact OE2-NE 3.21Å; E492-R496 PolarHBondContact OE2-NE 3.36Å; E492-R496 VanDerWaalsContact OE2-NE 3.15Å; E492-R496 IonicContact OE2-NH2 3.05Å; E492-R496 PolarHBondContact OE2-NH2 3.25Å; A493-R496 PolarHBondContact O-N 2.88Å; H494-R496 PolarHBondContact O-N 2.79Å; R496-V498 VanDerWaalsContact C-N 3.33Å
497T82.7Confident70.4Confident114 Ų11466.5 Ų66.570%0.69943%0.43SS*.Hα-helixtrans-77.1-22.4-179.357.10000112.3A493 H494 S499A493-T497 PolarHBondContact O-N 3.27Å; H494-T497 PolarHBondContact O-N 3.37Å; H494-T497 PolarHBondContact O-OG1 3.15Å; T497-S499 VanDerWaalsContact C-N 3.29Å; T497-S499 PolarHBondContact O-N 3.26Å
498V71.7Confident69.6Low38 Ų3866.6 Ų66.623%0.2343%0.434CS..SBendtrans-69.188164.4-177.10000109.2N164 V165 L169 H494 R496N164-V498 VanDerWaalsContact O-CG1 3.25Å; N164-V498 WeakPolarHBondContact O-CG1 3.39Å; V165-V498 HydrophobicContact CG2-CG1 4.32Å; L169-V498 HydrophobicContact CD1-CG2 4.15Å; H494-V498 PolarHBondContact O-N 2.78Å; H494-V498 VanDerWaalsContact O-N 3.17Å; R496-V498 VanDerWaalsContact C-N 3.33Å
499S55.3Low69.1Low81 Ų8168 Ų6857%0.56644%0.439SS*.PPolyproline II helixtrans-60.4140.8164-175.80000109T497 V501T497-S499 VanDerWaalsContact C-N 3.29Å; T497-S499 PolarHBondContact O-N 3.26Å; S499-V501 PolarHBondContact O-N 3.45Å; S499-V501 VanDerWaalsContact O-N 3.09Å
500P55.4Low69Low100 Ų10065.5 Ų65.565%0.64943%0.426SS*.PPolyproline II helixtrans-57.7120.2159.927.1-32.8000107.6A502P500-A502 PolarHBondContact O-N 3Å
501V43.4Very low69Low95 Ų9564.7 Ų64.758%0.57642%0.415SS*.PPolyproline II helixtrans-63.4129.5165.8178.60000106.2N164 S499N164-V501 WeakPolarHBondContact OD1-CB 3.37Å; N164-V501 VanDerWaalsContact OD1-CG2 3.22Å; N164-V501 WeakPolarHBondContact OD1-CG2 3.35Å; S499-V501 PolarHBondContact O-N 3.45Å; S499-V501 VanDerWaalsContact O-N 3.09Å
502A43.1Very low68.9Low76 Ų7664.7 Ų64.763%0.62842%0.415SS*.PPolyproline II helixtrans-60.8136.2175.800000108.6P500 D504P500-A502 PolarHBondContact O-N 3Å; A502-D504 PolarHBondContact O-N 2.71Å; A502-D504 VanDerWaalsContact O-N 3.12Å
503P49.3Very low68.9Low100 Ų10065.4 Ų65.465%0.64942%0.419SS*.PPolyproline II helixtrans-56.8123.2-176.622.9-33.4000109.8A505P503-A505 PolarHBondContact O-N 2.98Å
504D42.9Very low69Low159 Ų15963.8 Ų63.885%0.8540%0.402SS*.PPolyproline II helixtrans-57.8133.9-165.6-154.27000111.2A502 A506A502-D504 PolarHBondContact O-N 2.71Å; A502-D504 VanDerWaalsContact O-N 3.12Å; D504-A506 PolarHBondContact O-N 3.05Å
505A43.7Very low69.1Low89 Ų8960.2 Ų60.274%0.73639%0.386SS*.THydrogen-bonded Turntrans-55.3106.3-144.800000114.5P503 G507P503-A505 PolarHBondContact O-N 2.98Å; A505-G507 VanDerWaalsContact C-N 3.31Å; A505-G507 PolarHBondContact O-N 3.34Å; A505-G507 VanDerWaalsContact O-N 3.11Å
506A48Very low69Low101 Ų10162.5 Ų62.584%0.83540%0.402SS*.THydrogen-bonded Turntrans37.955170.600000114.1D504D504-A506 PolarHBondContact O-N 3.05Å
507G57.4Low69Low32 Ų3261.5 Ų61.533%0.3341%0.409SS..  trans-51.7150.1-173.900000114.2A505 Y509A505-G507 VanDerWaalsContact C-N 3.31Å; A505-G507 PolarHBondContact O-N 3.34Å; A505-G507 VanDerWaalsContact O-N 3.11Å; G507-Y509 PolarHBondContact O-N 3.04Å
508A70.6Confident69Low47 Ų4761.7 Ų61.739%0.38840%0.402SS..SBendtrans-6513.1-173.300000116.2H581 W582A508-H581 PolarHBondContact O-N 3.12Å; A508-W582 HydrophobicContact CB-CB 4.47Å
509Y80.9Confident69.7Low30 Ų3060.4 Ų60.412%0.11840%0.395CS..EExtended strand (participates in β ladder)trans-156147.8176.259.3-79.5000110.3G507 F511 N524 F578 Q579 R607 H611G507-Y509 PolarHBondContact O-N 3.04Å; Y509-F511 HydrophobicContact CD2-CD1 4.38Å; Y509-F511 HydrophobicContact CE2-CD1 4.05Å; Y509-N524 PolarHBondContact O-ND2 2.77Å; Y509-F578 HydrophobicContact CD2-CD2 4.16Å; Y509-F578 AromaticContact CD2-CE2 3.51Å; Y509-F578 HydrophobicContact CD2-CE2 3.51Å; Y509-F578 HydrophobicContact CD2-CZ 4.4Å; Y509-F578 HydrophobicContact CE2-CE2 4.36Å; Y509-F578 AromaticContact CG-CE2 3.79Å; Y509-F578 HydrophobicContact CG-CE2 3.79Å; Y509-F578 HydrophobicContact CG-CZ 4.24Å; Y509-Q579 CarbonylContact C-O 3.46Å; Y509-Q579 WeakPolarHBondContact CA-O 3.44Å; Y509-Q579 VanDerWaalsContact CB-O 3.3Å; Y509-Q579 WeakPolarHBondContact CB-O 3.23Å; Y509-R607 HydrophobicContact CE2-CB 4.31Å; Y509-H611 AromaticContact CE2-NE2 3.89Å; Y509-H611 AromaticContact CZ-NE2 3.82Å; Y509-H611 PolarHBondContact OH-NE2 2.66Å
510L87Confident71.2Confident17 Ų1757.9 Ų57.99%0.08938%0.376CS..EExtended strand (participates in β ladder)trans-101.9145.1167.6-59.8177.2000109.1N524 V525 F537 F578 Q579L510-N524 WeakPolarHBondContact CA-OD1 3.45Å; L510-V525 HydrophobicContact CB-CG2 4.27Å; L510-V525 HydrophobicContact CD2-CG2 4.32Å; L510-F537 HydrophobicContact CB-CD1 4.4Å; L510-F537 HydrophobicContact CB-CD2 4.32Å; L510-F537 HydrophobicContact CB-CE1 4.48Å; L510-F537 HydrophobicContact CB-CE2 4.41Å; L510-F537 HydrophobicContact CB-CG 4.31Å; L510-F537 HydrophobicContact CB-CZ 4.49Å; L510-F537 HydrophobicContact CD1-CB 4.01Å; L510-F537 HydrophobicContact CD1-CG 4.19Å; L510-F578 WeakPolarHBondContact O-CA 3.41Å; L510-Q579 HydrophobicContact CB-CB 4.48Å; L510-Q579 PolarHBondContact N-O 2.76Å; L510-Q579 PolarHBondContact O-N 3.05Å
511F88.6Confident72.7Confident7 Ų753.8 Ų53.83%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-144.5157.2169.681.3-85.2000113Y509 T523 N524 Y577 F578 L608 H611Y509-F511 HydrophobicContact CD2-CD1 4.38Å; Y509-F511 HydrophobicContact CE2-CD1 4.05Å; F511-T523 WeakPolarHBondContact O-CA 3.38Å; F511-T523 WeakPolarHBondContact O-CB 3.03Å; F511-T523 PolarHBondContact O-OG1 3.33Å; F511-N524 HydrophobicContact CD1-CB 4.11Å; F511-N524 WeakPolarHBondContact CD1-OD1 3.27Å; F511-N524 HydrophobicContact CE1-CB 3.8Å; F511-N524 PolarHBondContact N-OD1 3.16Å; F511-N524 PolarHBondContact O-N 3.27Å; F511-N524 PolarHBondContact O-OD1 3.24Å; F511-Y577 CarbonylContact C-O 3.56Å; F511-Y577 WeakPolarHBondContact CA-O 3.39Å; F511-Y577 WeakPolarHBondContact CB-O 3.19Å; F511-F578 HydrophobicContact CB-CD2 4.39Å; F511-L608 HydrophobicContact CB-CD2 3.65Å; F511-L608 HydrophobicContact CD1-CD2 4.23Å; F511-L608 HydrophobicContact CD2-CD2 3.78Å; F511-L608 HydrophobicContact CE2-CD2 4.5Å; F511-L608 HydrophobicContact CG-CD2 3.62Å; F511-H611 AromaticContact CE1-CD2 3.69Å; F511-H611 AromaticContact CE1-CE1 3.68Å; F511-H611 AromaticContact CE1-CG 3.81Å; F511-H611 AromaticContact CE1-ND1 3.83Å; F511-H611 AromaticContact CE1-NE2 3.59Å; F511-H611 HydrophobicContact CZ-CB 4.05Å; F511-H611 AromaticContact CZ-CD2 3.96Å; F511-H611 AromaticContact CZ-CG 3.63Å; F511-H611 AromaticContact CZ-ND1 3.72Å
512A89.2Confident74.7Confident0 Ų052 Ų520%034%0.338CS..EExtended strand (participates in β ladder)trans-142.1129.8167.200000108.4L150 L521 T522 F537 T576 Y577L150-A512 HydrophobicContact CD1-CB 4.02Å; A512-L521 HydrophobicContact CB-CD1 4.04Å; A512-T522 CarbonylContact C-O 3.58Å; A512-T522 WeakPolarHBondContact CA-O 3.49Å; A512-F537 HydrophobicContact CB-CE1 4.04Å; A512-F537 HydrophobicContact CB-CZ 4.14Å; A512-T576 WeakPolarHBondContact O-CA 3.41Å; A512-Y577 HydrophobicContact CB-CD2 4.36Å; A512-Y577 PolarHBondContact N-O 2.89Å; A512-Y577 PolarHBondContact O-N 3.32Å
513H89.5Confident76.6Confident20 Ų2050.1 Ų50.19%0.09332%0.318CS..EExtended strand (participates in β ladder)trans-124.6121.6177.3172.882000108L521 T522 Q574 E575 T576 V613H513-L521 WeakPolarHBondContact O-CA 3.35Å; H513-T522 PolarHBondContact N-O 3.17Å; H513-T522 PolarHBondContact O-N 3.39Å; H513-Q574 PolarHBondContact CE1-OE1 2.95Å; H513-Q574 VanDerWaalsContact CE1-OE1 3.29Å; H513-E575 WeakPolarHBondContact CA-O 3.3Å; H513-T576 HydrophobicContact CB-CG2 4.19Å; H513-T576 PolarHBondContact ND1-OG1 2.78Å; H513-V613 HydrophobicContact CB-CG2 4.09Å
514Y90Very high78.1Confident17 Ų1747.5 Ų47.57%0.06730%0.299CS..EExtended strand (participates in β ladder)trans-116125.5-174.3176.3-122.6000109.5L154 T520 Q574 E575L154-Y514 HydrophobicContact CB-CD1 4.37Å; L154-Y514 HydrophobicContact CB-CD2 3.93Å; L154-Y514 HydrophobicContact CB-CE2 4.12Å; L154-Y514 HydrophobicContact CB-CG 4.1Å; L154-Y514 HydrophobicContact CD1-CG 4.37Å; L154-Y514 HydrophobicContact CD2-CD1 4.05Å; L154-Y514 HydrophobicContact CD2-CG 4.22Å; L154-Y514 HydrophobicContact CG-CG 4.45Å; L154-Y514 WeakPolarHBondContact O-CE2 3.45Å; L154-Y514 PolarHBondContact O-OH 3.43Å; Y514-T520 WeakPolarHBondContact CA-O 3.23Å; Y514-T520 VanDerWaalsContact CD2-O 3.27Å; Y514-T520 WeakPolarHBondContact CD2-O 3.31Å; Y514-Q574 CarbonylContact O-C 3.49Å; Y514-Q574 WeakPolarHBondContact O-CA 3.37Å; Y514-E575 PolarHBondContact N-O 3.3Å; Y514-E575 PolarHBondContact O-N 3.45Å
515D89.4Confident79.6Confident19 Ų1940.6 Ų40.610%0.10226%0.263CS..EExtended strand (participates in β ladder)trans-97.7115169.2-171.5-66.4000108.4V517 Q518 S519 T520 Q574D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 WeakPolarHBondContact OD1-CA 3.34Å; D515-V517 WeakPolarHBondContact OD1-CB 3.47Å; D515-V517 PolarHBondContact OD1-N 2.78Å; D515-Q518 PolarHBondContact OD1-N 3.01Å; D515-S519 CarbonylContact O-C 3.47Å; D515-S519 WeakPolarHBondContact O-CA 3.48Å; D515-S519 PolarHBondContact O-N 3.07Å; D515-T520 PolarHBondContact N-O 3.41Å; D515-T520 PolarHBondContact O-N 3.11Å; D515-T520 VanDerWaalsContact O-N 3.09Å; D515-Q574 HydrophobicContact CB-CG 4.27Å; D515-Q574 PolarHBondContact OD2-NE2 3.4Å
516S85.1Confident80.4Confident51 Ų5138.6 Ų38.636%0.35724%0.244SC..THydrogen-bonded Turntrans-79.5-16.9-176.363.20000113.4A573S516-A573 PolarHBondContact N-O 3.45Å; S516-A573 PolarHBondContact OG-O 3.04Å; S516-A573 VanDerWaalsContact OG-O 3.07Å
517V85.6Confident80.6Confident99 Ų9936.1 Ų36.160%0.623%0.227SC*.THydrogen-bonded Turntrans-82.5-37.5179.1178.60000110.8P204 D515 A573P204-V517 WeakPolarHBondContact CG-O 3.36Å; D515-V517 VanDerWaalsContact C-N 3.34Å; D515-V517 WeakPolarHBondContact OD1-CA 3.34Å; D515-V517 WeakPolarHBondContact OD1-CB 3.47Å; D515-V517 PolarHBondContact OD1-N 2.78Å; V517-A573 HydrophobicContact CG2-CB 3.65Å
518Q83.4Confident80.1Confident117 Ų11744.1 Ų44.155%0.54725%0.248SC..THydrogen-bonded Turntrans-96.1-8.9174-56.2-169.81.200113.1P204 D515 T520P204-Q518 VanDerWaalsContact CG-O 3.27Å; P204-Q518 WeakPolarHBondContact CG-O 3.17Å; D515-Q518 PolarHBondContact OD1-N 3.01Å; Q518-T520 HydrophobicContact CB-CG2 3.83Å; Q518-T520 PolarHBondContact O-N 2.86Å
519S86.1Confident78.6Confident11 Ų1147.9 Ų47.98%0.07727%0.268CS..THydrogen-bonded Turntrans48.444.1-168.7-47.20000112.1S156 V157 P204 D515S156-S519 CarbonylContact C-O 3.58Å; S156-S519 WeakPolarHBondContact CA-O 3.32Å; S156-S519 WeakPolarHBondContact CB-O 3.27Å; V157-S519 PolarHBondContact N-O 3.2Å; P204-S519 WeakPolarHBondContact CB-OG 3.21Å; D515-S519 CarbonylContact O-C 3.47Å; D515-S519 WeakPolarHBondContact O-CA 3.48Å; D515-S519 PolarHBondContact O-N 3.07Å
520T86.7Confident76.7Confident28 Ų2850 Ų5017%0.17230%0.299CS..EExtended strand (participates in β ladder)trans-107.2149179.6620000111.5T159 Y514 D515 Q518T159-T520 HydrophobicContact CG2-CG2 3.78Å; Y514-T520 WeakPolarHBondContact CA-O 3.23Å; Y514-T520 VanDerWaalsContact CD2-O 3.27Å; Y514-T520 WeakPolarHBondContact CD2-O 3.31Å; D515-T520 PolarHBondContact N-O 3.41Å; D515-T520 PolarHBondContact O-N 3.11Å; D515-T520 VanDerWaalsContact O-N 3.09Å; Q518-T520 HydrophobicContact CB-CG2 3.83Å; Q518-T520 PolarHBondContact O-N 2.86Å
521L86.5Confident74.9Confident14 Ų1450.4 Ų50.47%0.07331%0.307CS..EExtended strand (participates in β ladder)trans-129117.2-176.817259.5000110.5L150 H151 L154 A512 H513 T523L150-L521 HydrophobicContact CB-CD2 3.83Å; H151-L521 HydrophobicContact CB-CD2 4.49Å; L154-L521 HydrophobicContact CD1-CD1 3.92Å; L154-L521 HydrophobicContact CD1-CD2 4.22Å; A512-L521 HydrophobicContact CB-CD1 4.04Å; H513-L521 WeakPolarHBondContact O-CA 3.35Å; L521-T523 HydrophobicContact CD1-CG2 4.47Å; L521-T523 HydrophobicContact CD2-CG2 4.41Å; L521-T523 HydrophobicContact CG-CG2 4.16Å
522T85.7Confident73.1Confident57 Ų5756.2 Ų56.235%0.3534%0.343SS..EExtended strand (participates in β ladder)trans-103.3128.4167.460.30000109.5A512 H513A512-T522 CarbonylContact C-O 3.58Å; A512-T522 WeakPolarHBondContact CA-O 3.49Å; H513-T522 PolarHBondContact N-O 3.17Å; H513-T522 PolarHBondContact O-N 3.39Å
523T83.9Confident71.4Confident37 Ų3759.3 Ų59.323%0.22736%0.363CS..EExtended strand (participates in β ladder)trans-157.5147-175.6-178.50000110.9F511 L521 V525F511-T523 WeakPolarHBondContact O-CA 3.38Å; F511-T523 WeakPolarHBondContact O-CB 3.03Å; F511-T523 PolarHBondContact O-OG1 3.33Å; L521-T523 HydrophobicContact CD1-CG2 4.47Å; L521-T523 HydrophobicContact CD2-CG2 4.41Å; L521-T523 HydrophobicContact CG-CG2 4.16Å; T523-V525 WeakPolarHBondContact OG1-CB 3.27Å; T523-V525 WeakPolarHBondContact OG1-CG2 3.45Å; T523-V525 PolarHBondContact OG1-N 3.26Å; T523-V525 VanDerWaalsContact OG1-N 3.13Å
524N79.9Confident70.2Confident46 Ų4659.8 Ų59.825%0.24637%0.366CS..  trans-97.54.317073.3-25.4000113.5Y509 L510 F511Y509-N524 PolarHBondContact O-ND2 2.77Å; L510-N524 WeakPolarHBondContact CA-OD1 3.45Å; F511-N524 HydrophobicContact CD1-CB 4.11Å; F511-N524 WeakPolarHBondContact CD1-OD1 3.27Å; F511-N524 HydrophobicContact CE1-CB 3.8Å; F511-N524 PolarHBondContact N-OD1 3.16Å; F511-N524 PolarHBondContact O-N 3.27Å; F511-N524 PolarHBondContact O-OD1 3.24Å
525V74.5Confident69.4Low13 Ų1363.4 Ų63.48%0.07938%0.383CS..SBendtrans-69.5131.1173.5179.10000108.8L150 L510 T523 E534 F537L150-V525 HydrophobicContact CD1-CB 4.04Å; L150-V525 HydrophobicContact CD1-CG1 4.27Å; L150-V525 HydrophobicContact CD1-CG2 3.96Å; L510-V525 HydrophobicContact CB-CG2 4.27Å; L510-V525 HydrophobicContact CD2-CG2 4.32Å; T523-V525 WeakPolarHBondContact OG1-CB 3.27Å; T523-V525 WeakPolarHBondContact OG1-CG2 3.45Å; T523-V525 PolarHBondContact OG1-N 3.26Å; T523-V525 VanDerWaalsContact OG1-N 3.13Å; V525-E534 HydrophobicContact CG1-CB 4.27Å; V525-E534 HydrophobicContact CG1-CG 4.12Å; V525-F537 HydrophobicContact CG2-CD1 3.66Å; V525-F537 HydrophobicContact CG2-CE1 3.62Å
526S60.7Low69Low48 Ų4864.9 Ų64.934%0.33639%0.393SS..  trans-73.6141.6-176.979.80000110.6R528 E534S526-R528 PolarHBondContact O-N 2.87Å; S526-E534 WeakPolarHBondContact CB-OE1 3.27Å; S526-E534 PolarHBondContact N-OE1 3.28Å; S526-E534 PolarHBondContact OG-OE1 2.9Å; S526-E534 PolarHBondContact OG-OE2 2.74Å
527G52.7Low69.1Low48 Ų4862.4 Ų62.450%0.49538%0.376SS..  trans-73.516.8175.800000114.5P147 P529P147-G527 CarbonylContact O-C 3.58Å; P147-G527 WeakPolarHBondContact O-CA 3.44Å; G527-P529 WeakPolarHBondContact O-CD 3.44Å
528R46.9Very low69.1Low201 Ų20158.4 Ų58.476%0.75835%0.352SS*.  trans-97.4112.7-169-170.3175.6-174.1173.62.4110.8S526 G530S526-R528 PolarHBondContact O-N 2.87Å; R528-G530 PolarHBondContact O-N 2.86Å
529P38.4Very low69.3Low125 Ų12558.2 Ų58.281%0.81235%0.346SS*.THydrogen-bonded Turntrans-58.5131.4175.5-21.933.6000110.8G527G527-P529 WeakPolarHBondContact O-CD 3.44Å
530G41.6Very low69.4Low75 Ų7558.1 Ų58.177%0.77335%0.346SS*.THydrogen-bonded Turntrans111.71178.200000116.1R528 V532R528-G530 PolarHBondContact O-N 2.86Å; G530-V532 PolarHBondContact O-N 3.29Å
531G49.6Very low69.5Low25 Ų2556.8 Ų56.826%0.25834%0.337SS..  trans-65.789.8168.800000112.3P533 E534G531-P533 VanDerWaalsContact O-N 3.13Å; G531-E534 WeakPolarHBondContact O-CB 3.27Å; G531-E534 PolarHBondContact O-N 2.84Å
532V49.3Very low69.6Low129 Ų12956.2 Ų56.278%0.78234%0.335SS*.THydrogen-bonded Turntrans-47.3-38.8176.3-177.60000113.2G530G530-V532 PolarHBondContact O-N 3.29Å
533P53.2Low69.8Low66 Ų6657.7 Ų57.743%0.42934%0.34SS..THydrogen-bonded Turntrans-78.9-11.4177.9-13.430.9000115.5G531 H581G531-P533 VanDerWaalsContact O-N 3.13Å; P533-H581 WeakPolarHBondContact CB-CE1 3.41Å; P533-H581 WeakPolarHBondContact CB-NE2 3.48Å
534E64.9Low70.1Confident30 Ų3056.1 Ų56.114%0.1433%0.33CS..THydrogen-bonded Turntrans-88.1-32-177.9-63.1173.9139.900111.9V525 S526 G531 F537 V538V525-E534 HydrophobicContact CG1-CB 4.27Å; V525-E534 HydrophobicContact CG1-CG 4.12Å; S526-E534 WeakPolarHBondContact CB-OE1 3.27Å; S526-E534 PolarHBondContact N-OE1 3.28Å; S526-E534 PolarHBondContact OG-OE1 2.9Å; S526-E534 PolarHBondContact OG-OE2 2.74Å; G531-E534 WeakPolarHBondContact O-CB 3.27Å; G531-E534 PolarHBondContact O-N 2.84Å; E534-F537 WeakPolarHBondContact O-CB 3.28Å; E534-F537 PolarHBondContact O-N 2.97Å; E534-V538 WeakPolarHBondContact O-CG2 3.29Å; E534-V538 PolarHBondContact O-N 3.39Å
535H73.6Confident70.6Confident93 Ų9354.5 Ų54.543%0.43132%0.321SS..Hα-helixtrans-57.4-38.8-178.7-168.4-38000114.4E96 F537 R539E96-H535 IonicContact OE2-CE1 3.27Å; H535-F537 VanDerWaalsContact C-N 3.33Å; H535-F537 PolarHBondContact O-N 3.01Å; H535-R539 WeakPolarHBondContact O-CB 3.44Å; H535-R539 PolarHBondContact O-N 2.89Å
536P81.4Confident71.3Confident49 Ų4954.5 Ų54.532%0.31832%0.322SS..Hα-helixtrans-63.1-37.5173.5-23.135.1000112.9A540 T564P536-A540 WeakPolarHBondContact O-CB 3.4Å; P536-A540 PolarHBondContact O-N 2.78Å; P536-T564 HydrophobicContact CB-CG2 4.41Å
537F86.1Confident72.6Confident0 Ų057.2 Ų57.20%033%0.329CS..Hα-helixtrans-65.9-51.5177.1-176.4-109.8000110.8L150 L510 A512 V525 E534 H535 R539 A540 T541 V566 Q579L150-F537 HydrophobicContact CD1-CD1 4.39Å; L150-F537 HydrophobicContact CD1-CE1 4.07Å; L510-F537 HydrophobicContact CB-CD1 4.4Å; L510-F537 HydrophobicContact CB-CD2 4.32Å; L510-F537 HydrophobicContact CB-CE1 4.48Å; L510-F537 HydrophobicContact CB-CE2 4.41Å; L510-F537 HydrophobicContact CB-CG 4.31Å; L510-F537 HydrophobicContact CB-CZ 4.49Å; L510-F537 HydrophobicContact CD1-CB 4.01Å; L510-F537 HydrophobicContact CD1-CG 4.19Å; A512-F537 HydrophobicContact CB-CE1 4.04Å; A512-F537 HydrophobicContact CB-CZ 4.14Å; V525-F537 HydrophobicContact CG2-CD1 3.66Å; V525-F537 HydrophobicContact CG2-CE1 3.62Å; E534-F537 WeakPolarHBondContact O-CB 3.28Å; E534-F537 PolarHBondContact O-N 2.97Å; H535-F537 VanDerWaalsContact C-N 3.33Å; H535-F537 PolarHBondContact O-N 3.01Å; F537-R539 VanDerWaalsContact C-N 3.33Å; F537-R539 PolarHBondContact O-N 3.08Å; F537-A540 PolarHBondContact O-N 3.49Å; F537-A540 VanDerWaalsContact O-N 3.15Å; F537-T541 PolarHBondContact O-N 3.08Å; F537-T541 PolarHBondContact O-OG1 3.42Å; F537-V566 HydrophobicContact CD2-CG1 3.86Å; F537-V566 HydrophobicContact CD2-CG2 4.24Å; F537-V566 HydrophobicContact CE2-CG1 3.82Å; F537-Q579 HydrophobicContact CD2-CB 3.67Å; F537-Q579 HydrophobicContact CE2-CB 4.03Å
538V86Confident74.4Confident14 Ų1455 Ų559%0.08531%0.306CS..Hα-helixtrans-58.6-43.4179.7177.80000111.6E149 L150 I153 E534 T541 S542E149-V538 HydrophobicContact CB-CG1 3.89Å; L150-V538 HydrophobicContact CD2-CB 4.43Å; L150-V538 HydrophobicContact CD2-CG1 4.28Å; L150-V538 HydrophobicContact CD2-CG2 4.15Å; L150-V538 HydrophobicContact CG-CG2 4.16Å; I153-V538 HydrophobicContact CD1-CG1 3.48Å; I153-V538 VanDerWaalsContact CD1-CG1 3.48Å; E534-V538 WeakPolarHBondContact O-CG2 3.29Å; E534-V538 PolarHBondContact O-N 3.39Å; V538-T541 PolarHBondContact O-N 3.43Å; V538-S542 WeakPolarHBondContact O-CB 3.45Å; V538-S542 PolarHBondContact O-N 2.67Å
539R86.6Confident76.2Confident114 Ų11449.4 Ų49.443%0.4329%0.287SS..Hα-helixtrans-67.2-38.3177-170.5-176.2-80.3175.8-0.9112.2E96 H535 F537 S542 L543E96-R539 IonicContact OE1-CZ 3.76Å; E96-R539 IonicContact OE1-NH2 2.8Å; E96-R539 PolarHBondContact OE1-NH2 3.31Å; E96-R539 IonicContact OE2-CZ 3.13Å; E96-R539 IonicContact OE2-NE 2.72Å; E96-R539 PolarHBondContact OE2-NE 3.47Å; E96-R539 IonicContact OE2-NH2 2.68Å; E96-R539 PolarHBondContact OE2-NH2 2.85Å; H535-R539 WeakPolarHBondContact O-CB 3.44Å; H535-R539 PolarHBondContact O-N 2.89Å; F537-R539 VanDerWaalsContact C-N 3.33Å; F537-R539 PolarHBondContact O-N 3.08Å; R539-S542 WeakPolarHBondContact O-CB 3.25Å; R539-S542 PolarHBondContact O-N 3.07Å; R539-L543 WeakPolarHBondContact O-CG 3.3Å; R539-L543 PolarHBondContact O-N 3.14Å; R539-L543 VanDerWaalsContact O-N 3.14Å
540A88.6Confident78.4Confident8 Ų847.8 Ų47.87%0.06627%0.272CS..Hα-helixtrans-66.1-43.6175.400000112.1P536 F537 S542 L543 L544 I559 V566P536-A540 WeakPolarHBondContact O-CB 3.4Å; P536-A540 PolarHBondContact O-N 2.78Å; F537-A540 PolarHBondContact O-N 3.49Å; F537-A540 VanDerWaalsContact O-N 3.15Å; A540-S542 VanDerWaalsContact C-N 3.33Å; A540-S542 PolarHBondContact O-N 3.17Å; A540-L543 PolarHBondContact O-N 3.34Å; A540-L544 WeakPolarHBondContact O-CB 3.41Å; A540-L544 WeakPolarHBondContact O-CG 3.49Å; A540-L544 PolarHBondContact O-N 3.42Å; A540-I559 HydrophobicContact CB-CB 4.39Å; A540-I559 HydrophobicContact CB-CG2 4.28Å; A540-V566 HydrophobicContact CB-CB 3.83Å; A540-V566 HydrophobicContact CB-CG1 4.14Å; A540-V566 HydrophobicContact CB-CG2 3.62Å
541T89.8Confident80.6Confident0 Ų046.9 Ų46.90%025%0.251CS..Hα-helixtrans-59.8-41.9173.8-62.30000111.6L150 F537 V538 L543 L544 H545 Y577L150-T541 HydrophobicContact CD2-CG2 3.79Å; F537-T541 PolarHBondContact O-N 3.08Å; F537-T541 PolarHBondContact O-OG1 3.42Å; V538-T541 PolarHBondContact O-N 3.43Å; T541-L543 PolarHBondContact O-N 3.19Å; T541-L544 PolarHBondContact O-N 3.06Å; T541-H545 VanDerWaalsContact O-CB 3.28Å; T541-H545 WeakPolarHBondContact O-CB 3.46Å; T541-H545 PolarHBondContact O-N 3.04Å; T541-Y577 HydrophobicContact CG2-CD1 3.87Å; T541-Y577 HydrophobicContact CG2-CD2 3.7Å; T541-Y577 HydrophobicContact CG2-CE1 3.95Å; T541-Y577 HydrophobicContact CG2-CE2 3.8Å; T541-Y577 HydrophobicContact CG2-CG 3.74Å
542S88.9Confident82Confident3 Ų351 Ų512%0.02126%0.264CS..Hα-helixtrans-58-46.3175.2-179.40000112.8E96 P98 V538 R539 A540 S546E96-S542 WeakPolarHBondContact O-CB 3.39Å; E96-S542 PolarHBondContact O-OG 3.1Å; P98-S542 WeakPolarHBondContact CD-OG 3.47Å; P98-S542 WeakPolarHBondContact CG-O 3.38Å; P98-S542 WeakPolarHBondContact CG-OG 3.49Å; V538-S542 WeakPolarHBondContact O-CB 3.45Å; V538-S542 PolarHBondContact O-N 2.67Å; R539-S542 WeakPolarHBondContact O-CB 3.25Å; R539-S542 PolarHBondContact O-N 3.07Å; A540-S542 VanDerWaalsContact C-N 3.33Å; A540-S542 PolarHBondContact O-N 3.17Å; S542-S546 PolarHBondContact O-N 3.47Å
543L88.7Confident83.8Confident88 Ų8850.7 Ų50.746%0.46126%0.262SS..Hα-helixtrans-67.6-44.2178.4-69.8171000112.3R539 A540 T541 S546 H547 I559R539-L543 WeakPolarHBondContact O-CG 3.3Å; R539-L543 PolarHBondContact O-N 3.14Å; R539-L543 VanDerWaalsContact O-N 3.14Å; A540-L543 PolarHBondContact O-N 3.34Å; T541-L543 PolarHBondContact O-N 3.19Å; L543-S546 PolarHBondContact O-N 2.93Å; L543-H547 PolarHBondContact O-CD2 3.45Å; L543-H547 PolarHBondContact O-N 3.18Å; L543-I559 HydrophobicContact CB-CD1 3.56Å; L543-I559 HydrophobicContact CD1-CD1 4.17Å
544L90.9Very high85.4Confident3 Ų349.9 Ų49.92%0.01625%0.254CS..Hα-helixtrans-63.1-44.5177.7-75.5163.9000111.7A540 T541 S546 H547 F548 A557 I559 V566 Y577A540-L544 WeakPolarHBondContact O-CB 3.41Å; A540-L544 WeakPolarHBondContact O-CG 3.49Å; A540-L544 PolarHBondContact O-N 3.42Å; T541-L544 PolarHBondContact O-N 3.06Å; L544-S546 PolarHBondContact O-N 3.17Å; L544-H547 PolarHBondContact O-N 3.08Å; L544-F548 HydrophobicContact CB-CD2 4.34Å; L544-F548 HydrophobicContact CB-CE2 4.07Å; L544-F548 HydrophobicContact CD2-CZ 4.41Å; L544-F548 WeakPolarHBondContact O-CB 3.47Å; L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.49Å; L544-F548 VanDerWaalsContact O-CG 3.31Å; L544-F548 WeakPolarHBondContact O-CG 3.28Å; L544-F548 PolarHBondContact O-N 3.48Å; L544-A557 HydrophobicContact CD2-CB 3.55Å; L544-I559 HydrophobicContact CD1-CD1 4.48Å; L544-I559 HydrophobicContact CD1-CG1 4.44Å; L544-I559 HydrophobicContact CD2-CD1 4.14Å; L544-I559 HydrophobicContact CD2-CG1 3.96Å; L544-I559 HydrophobicContact CG-CD1 3.72Å; L544-I559 HydrophobicContact CG-CG1 3.94Å; L544-V566 HydrophobicContact CD1-CG1 4.33Å; L544-Y577 HydrophobicContact CB-CD1 4.26Å; L544-Y577 HydrophobicContact CB-CE1 3.59Å; L544-Y577 HydrophobicContact CD1-CD1 3.88Å; L544-Y577 HydrophobicContact CD1-CE1 4.07Å; L544-Y577 HydrophobicContact CG-CE1 4.47Å
545H90.8Very high86.6Confident12 Ų1255.1 Ų55.16%0.05628%0.279CS..Hα-helixtrans-61-41.9178.4-177.863.8000112.3P98 L154 T541 F548 F549 E575 Y577P98-H545 HydrophobicContact CG-CB 4.49Å; L154-H545 HydrophobicContact CD2-CB 4.38Å; T541-H545 VanDerWaalsContact O-CB 3.28Å; T541-H545 WeakPolarHBondContact O-CB 3.46Å; T541-H545 PolarHBondContact O-N 3.04Å; H545-F548 PolarHBondContact O-N 3.46Å; H545-F549 PolarHBondContact O-N 2.58Å; H545-F549 VanDerWaalsContact O-N 3.07Å; H545-E575 IonicContact CE1-OE1 2.83Å; H545-E575 IonicContact CE1-OE2 3.25Å; H545-E575 IonicContact CG-OE2 2.71Å; H545-E575 IonicContact ND1-OE1 3.7Å; H545-E575 PolarHBondContact ND1-OE1 2.99Å; H545-E575 IonicContact ND1-OE2 3.38Å; H545-E575 PolarHBondContact ND1-OE2 2.98Å; H545-Y577 WeakPolarHBondContact CA-OH 3.19Å; H545-Y577 WeakPolarHBondContact CB-OH 3.41Å
546S88Confident87.5Confident14 Ų1454.9 Ų54.910%0.09828%0.278CS..Hα-helixtrans-62.5-49.7172-153.40000110.9T99 S542 L543 L544 F548 F549 D550T99-S546 PolarHBondContact N-OG 3.21Å; S542-S546 PolarHBondContact O-N 3.47Å; L543-S546 PolarHBondContact O-N 2.93Å; L544-S546 PolarHBondContact O-N 3.17Å; S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 PolarHBondContact O-N 3.33Å; S546-F549 PolarHBondContact O-N 2.97Å; S546-F549 VanDerWaalsContact O-N 3.16Å; S546-D550 VanDerWaalsContact O-CB 3.25Å; S546-D550 WeakPolarHBondContact O-CB 3.27Å; S546-D550 PolarHBondContact O-N 3.09Å; S546-D550 PolarHBondContact OG-OD2 2.65Å
547H89.2Confident88Confident105 Ų10553.6 Ų53.649%0.48627%0.271SS..Hα-helixtrans-59.6-36.9179-91.9-69.8000113.8L543 L544 T551 L554L543-H547 PolarHBondContact O-CD2 3.45Å; L543-H547 PolarHBondContact O-N 3.18Å; L544-H547 PolarHBondContact O-N 3.08Å; H547-T551 VanDerWaalsContact O-CB 3.3Å; H547-T551 WeakPolarHBondContact O-CB 3.27Å; H547-T551 PolarHBondContact O-N 2.94Å; H547-L554 HydrophobicContact CB-CD2 4.03Å
548F90Very high88.2Confident0 Ų056.6 Ų56.60%029%0.286CS..Hα-helixtrans-67.5-41.5176-76.1-39.3000112.2L544 H545 S546 T551 L554 A557 R570 Y577L544-F548 HydrophobicContact CB-CD2 4.34Å; L544-F548 HydrophobicContact CB-CE2 4.07Å; L544-F548 HydrophobicContact CD2-CZ 4.41Å; L544-F548 WeakPolarHBondContact O-CB 3.47Å; L544-F548 VanDerWaalsContact O-CD2 3.22Å; L544-F548 WeakPolarHBondContact O-CD2 3.49Å; L544-F548 VanDerWaalsContact O-CG 3.31Å; L544-F548 WeakPolarHBondContact O-CG 3.28Å; L544-F548 PolarHBondContact O-N 3.48Å; H545-F548 PolarHBondContact O-N 3.46Å; S546-F548 VanDerWaalsContact C-N 3.29Å; S546-F548 PolarHBondContact O-N 3.33Å; F548-T551 CarbonylContact O-C 3.48Å; F548-L554 HydrophobicContact CD1-CB 4.21Å; F548-L554 HydrophobicContact CD1-CD2 3.88Å; F548-L554 HydrophobicContact CD1-CG 3.93Å; F548-L554 VanDerWaalsContact CD1-O 3.23Å; F548-L554 WeakPolarHBondContact CD1-O 3.5Å; F548-L554 HydrophobicContact CE1-CD2 4.06Å; F548-L554 HydrophobicContact CE1-CG 3.91Å; F548-L554 WeakPolarHBondContact CE1-O 3.24Å; F548-A557 HydrophobicContact CE1-CB 4.36Å; F548-A557 HydrophobicContact CZ-CB 4.4Å; F548-R570 HydrophobicContact CB-CB 4.4Å; F548-R570 HydrophobicContact CD1-CB 3.68Å; F548-R570 HydrophobicContact CD2-CB 4.13Å; F548-R570 HydrophobicContact CE1-CB 3.89Å; F548-R570 HydrophobicContact CE2-CB 4.32Å; F548-R570 HydrophobicContact CG-CB 3.83Å; F548-R570 HydrophobicContact CZ-CB 4.22Å; F548-R570 PolarHBondContact O-NH1 2.84Å; F548-Y577 HydrophobicContact CD2-CE1 4.32Å; F548-Y577 AromaticContact CE2-CE1 3.89Å; F548-Y577 HydrophobicContact CE2-CE1 3.89Å
549F83.9Confident88.4Confident84 Ų8458.3 Ų58.337%0.36830%0.295SS..Hα-helixtrans-68.6-46.4174.7-177.4-89000112.1V100 H545 S546 T551V100-F549 HydrophobicContact CB-CB 4.48Å; V100-F549 HydrophobicContact CB-CD1 4.4Å; V100-F549 HydrophobicContact CB-CD2 4.36Å; V100-F549 HydrophobicContact CB-CG 4.16Å; V100-F549 HydrophobicContact CG1-CB 4.28Å; V100-F549 HydrophobicContact CG1-CD1 4Å; V100-F549 HydrophobicContact CG1-CD2 3.34Å; V100-F549 HydrophobicContact CG1-CE1 4.15Å; V100-F549 HydrophobicContact CG1-CE2 3.51Å; V100-F549 HydrophobicContact CG1-CG 3.6Å; V100-F549 HydrophobicContact CG1-CZ 3.92Å; V100-F549 HydrophobicContact CG2-CB 3.4Å; V100-F549 HydrophobicContact CG2-CD1 3.68Å; V100-F549 HydrophobicContact CG2-CD2 4.09Å; V100-F549 HydrophobicContact CG2-CE1 4.48Å; V100-F549 HydrophobicContact CG2-CG 3.45Å; V100-F549 VanDerWaalsContact CG2-CG 3.45Å; H545-F549 PolarHBondContact O-N 2.58Å; H545-F549 VanDerWaalsContact O-N 3.07Å; S546-F549 PolarHBondContact O-N 2.97Å; S546-F549 VanDerWaalsContact O-N 3.16Å; F549-T551 PolarHBondContact O-N 2.87Å
550D84.9Confident88.4Confident92 Ų9259.2 Ų59.249%0.49230%0.298SS..Hα-helixtrans-71.3-11.4-178.7-61.8-41.3000112.3S546S546-D550 VanDerWaalsContact O-CB 3.25Å; S546-D550 WeakPolarHBondContact O-CB 3.27Å; S546-D550 PolarHBondContact O-N 3.09Å; S546-D550 PolarHBondContact OG-OD2 2.65Å
551T87.3Confident88Confident56 Ų5664 Ų6434%0.34432%0.323SS..  trans-146.390.8-179.5-55.70000111.9H547 F548 F549 T553 L554H547-T551 VanDerWaalsContact O-CB 3.3Å; H547-T551 WeakPolarHBondContact O-CB 3.27Å; H547-T551 PolarHBondContact O-N 2.94Å; F548-T551 CarbonylContact O-C 3.48Å; F549-T551 PolarHBondContact O-N 2.87Å; T551-T553 WeakPolarHBondContact CG2-OG1 3.47Å; T551-T553 PolarHBondContact O-N 3.05Å; T551-T553 VanDerWaalsContact O-N 3.14Å; T551-L554 HydrophobicContact CG2-CB 4.04Å; T551-L554 VanDerWaalsContact O-CB 3.31Å; T551-L554 WeakPolarHBondContact O-CB 3.4Å; T551-L554 PolarHBondContact O-N 3.49Å
552E79.6Confident87.4Confident111 Ų11166.8 Ų66.852%0.51935%0.346SS..THydrogen-bonded Turntrans-60.2-20.4-179.853.2175.6117.700115.8P433 L554P433-E552 HydrophobicContact CB-CB 4.38Å; P433-E552 VanDerWaalsContact CD-OE1 3.24Å; P433-E552 WeakPolarHBondContact CD-OE1 3.24Å; P433-E552 HydrophobicContact CG-CB 4.11Å; P433-E552 HydrophobicContact CG-CG 4.38Å; E552-L554 VanDerWaalsContact C-N 3.32Å
553T86.7Confident86.7Confident122 Ų12269.1 Ų69.175%0.74837%0.371SS*.THydrogen-bonded Turntrans-81.1-7.7175.253.20000113.8T551 Q555T551-T553 WeakPolarHBondContact CG2-OG1 3.47Å; T551-T553 PolarHBondContact O-N 3.05Å; T551-T553 VanDerWaalsContact O-N 3.14Å; T553-Q555 PolarHBondContact O-N 3.43Å
554L88.6Confident86.3Confident50 Ų5066.3 Ų66.326%0.26236%0.357SS..  trans-87.1100.6-176-171.867.1000111.4H547 F548 T551 E552 A557H547-L554 HydrophobicContact CB-CD2 4.03Å; F548-L554 HydrophobicContact CD1-CB 4.21Å; F548-L554 HydrophobicContact CD1-CD2 3.88Å; F548-L554 HydrophobicContact CD1-CG 3.93Å; F548-L554 VanDerWaalsContact CD1-O 3.23Å; F548-L554 WeakPolarHBondContact CD1-O 3.5Å; F548-L554 HydrophobicContact CE1-CD2 4.06Å; F548-L554 HydrophobicContact CE1-CG 3.91Å; F548-L554 WeakPolarHBondContact CE1-O 3.24Å; T551-L554 HydrophobicContact CG2-CB 4.04Å; T551-L554 VanDerWaalsContact O-CB 3.31Å; T551-L554 WeakPolarHBondContact O-CB 3.4Å; T551-L554 PolarHBondContact O-N 3.49Å; E552-L554 VanDerWaalsContact C-N 3.32Å; L554-A557 HydrophobicContact CD1-CB 4.33Å; L554-A557 HydrophobicContact CD2-CB 4.28Å; L554-A557 HydrophobicContact CG-CB 4.41Å
555Q89.8Confident86.2Confident140 Ų14066.1 Ų66.165%0.65436%0.356SS*.  trans-95.4-31.9-178-64.9-179.5-800114.5T553 T569 R570T553-Q555 PolarHBondContact O-N 3.43Å; Q555-T569 CarbonylContact O-C 3.58Å; Q555-T569 WeakPolarHBondContact O-CA 3.34Å; Q555-T569 WeakPolarHBondContact O-CB 3.44Å; Q555-T569 PolarHBondContact O-OG1 3.24Å; Q555-R570 PolarHBondContact O-N 3.4Å
556E91.9Very high86.1Confident88 Ų8865.7 Ų65.741%0.41135%0.354SS..EExtended strand (participates in β ladder)trans-136.3140.9176.3-67.9-168.3-177.300109.3Y567 R605E556-Y567 HydrophobicContact CB-CE2 4.21Å; E556-Y567 HydrophobicContact CG-CE2 4.2Å; E556-Y567 WeakPolarHBondContact CG-OH 2.87Å; E556-Y567 PolarHBondContact OE1-OH 3.15Å; E556-R605 IonicContact OE1-CZ 3.67Å; E556-R605 IonicContact OE1-NH1 2.84Å; E556-R605 IonicContact OE1-NH2 3.59Å; E556-R605 PolarHBondContact OE1-NH2 2.99Å
557A92.2Very high86.3Confident22 Ų2265.1 Ų65.118%0.18235%0.35CS..EExtended strand (participates in β ladder)trans-151.7152.2177.300000111.4L544 F548 L554 G568L544-A557 HydrophobicContact CD2-CB 3.55Å; F548-A557 HydrophobicContact CE1-CB 4.36Å; F548-A557 HydrophobicContact CZ-CB 4.4Å; L554-A557 HydrophobicContact CD1-CB 4.33Å; L554-A557 HydrophobicContact CD2-CB 4.28Å; L554-A557 HydrophobicContact CG-CB 4.41Å; A557-G568 PolarHBondContact N-O 3.44Å; A557-G568 PolarHBondContact O-N 2.85Å; A557-G568 VanDerWaalsContact O-O 3.1Å
558I90.8Very high86.5Confident62 Ų6260.1 Ų60.132%0.31833%0.327SS..EExtended strand (participates in β ladder)trans-130117.9175.1-60.4167000109.3A565 V566 Y567 A597 L600 P601I558-A565 HydrophobicContact CG2-CB 4.41Å; I558-V566 WeakPolarHBondContact CA-O 3.26Å; I558-Y567 HydrophobicContact CD1-CD2 4.41Å; I558-Y567 HydrophobicContact CG1-CD2 3.86Å; I558-A597 HydrophobicContact CG2-CB 4.16Å; I558-L600 HydrophobicContact CG2-CD1 4.4Å; I558-P601 HydrophobicContact CD1-CG 4.4Å
559I89.4Confident86.5Confident50 Ų5061.1 Ų61.126%0.25633%0.333SS..EExtended strand (participates in β ladder)trans-91.1126.8167.5-66.6-172.1000108.4A540 L543 L544 A565 V566A540-I559 HydrophobicContact CB-CB 4.39Å; A540-I559 HydrophobicContact CB-CG2 4.28Å; L543-I559 HydrophobicContact CB-CD1 3.56Å; L543-I559 HydrophobicContact CD1-CD1 4.17Å; L544-I559 HydrophobicContact CD1-CD1 4.48Å; L544-I559 HydrophobicContact CD1-CG1 4.44Å; L544-I559 HydrophobicContact CD2-CD1 4.14Å; L544-I559 HydrophobicContact CD2-CG1 3.96Å; L544-I559 HydrophobicContact CG-CD1 3.72Å; L544-I559 HydrophobicContact CG-CG1 3.94Å; I559-A565 CarbonylContact O-C 3.46Å; I559-A565 WeakPolarHBondContact O-CA 3.46Å; I559-V566 PolarHBondContact N-O 3.32Å; I559-V566 PolarHBondContact O-N 2.96Å
560R85.9Confident86.9Confident133 Ų13360.2 Ų60.250%0.50233%0.327SS..EExtended strand (participates in β ladder)trans-121.5139.4179.258.6-175.7167.284.36.9111A565R560-A565 HydrophobicContact CB-CB 4.26Å
561N80.6Confident87Confident109 Ų10958.4 Ų58.458%0.58332%0.322SS*.EExtended strand (participates in β ladder)trans-132.3161.2170.5-17413.8000107.5G563 T564N561-G563 PolarHBondContact O-N 2.97Å; N561-T564 PolarHBondContact N-O 3.11Å; N561-T564 PolarHBondContact O-N 3.38Å
562A76.6Confident86.7Confident58 Ų5861.7 Ų61.748%0.47934%0.341SS..THydrogen-bonded Turntrans-54.7-25.1-17000000115.2
563G74.9Confident87Confident53 Ų5357.9 Ų57.955%0.54633%0.329SS..THydrogen-bonded Turntrans-112-6.7176.100000116.5N561N561-G563 PolarHBondContact O-N 2.97Å
564T80.9Confident87.1Confident28 Ų2855.4 Ų55.417%0.17231%0.309CS..EExtended strand (participates in β ladder)trans-152.6139.1-171.755.80000112P536 N561P536-T564 HydrophobicContact CB-CG2 4.41Å; N561-T564 PolarHBondContact N-O 3.11Å; N561-T564 PolarHBondContact O-N 3.38Å
565A87.5Confident87.3Confident0 Ų053.7 Ų53.70%030%0.299CS..EExtended strand (participates in β ladder)trans-124.7137.4167.200000110.8I558 I559 R560 A597 L600I558-A565 HydrophobicContact CG2-CB 4.41Å; I559-A565 CarbonylContact O-C 3.46Å; I559-A565 WeakPolarHBondContact O-CA 3.46Å; R560-A565 HydrophobicContact CB-CB 4.26Å; A565-A597 HydrophobicContact CB-CB 4.22Å; A565-L600 HydrophobicContact CB-CD1 3.7Å; A565-L600 WeakPolarHBondContact O-CD1 3.22Å
566V90.2Very high87.3Confident2 Ų247.2 Ų47.21%0.01227%0.269CS..EExtended strand (participates in β ladder)trans-123120.9-177.3-172.50000108.5F537 A540 L544 I558 I559 F578 Q579F537-V566 HydrophobicContact CD2-CG1 3.86Å; F537-V566 HydrophobicContact CD2-CG2 4.24Å; F537-V566 HydrophobicContact CE2-CG1 3.82Å; A540-V566 HydrophobicContact CB-CB 3.83Å; A540-V566 HydrophobicContact CB-CG1 4.14Å; A540-V566 HydrophobicContact CB-CG2 3.62Å; L544-V566 HydrophobicContact CD1-CG1 4.33Å; I558-V566 WeakPolarHBondContact CA-O 3.26Å; I559-V566 PolarHBondContact N-O 3.32Å; I559-V566 PolarHBondContact O-N 2.96Å; V566-F578 WeakPolarHBondContact CA-O 3.42Å; V566-Q579 HydrophobicContact CG2-CB 4.14Å; V566-Q579 HydrophobicContact CG2-CG 4.32Å
567Y91.6Very high87.3Confident2 Ų243 Ų431%0.00825%0.25CC..EExtended strand (participates in β ladder)trans-88.9131.5172.7169.8-106.6000109.4E556 I558 T569 Y577 F578 P601 A604 L615E556-Y567 HydrophobicContact CB-CE2 4.21Å; E556-Y567 HydrophobicContact CG-CE2 4.2Å; E556-Y567 WeakPolarHBondContact CG-OH 2.87Å; E556-Y567 PolarHBondContact OE1-OH 3.15Å; I558-Y567 HydrophobicContact CD1-CD2 4.41Å; I558-Y567 HydrophobicContact CG1-CD2 3.86Å; Y567-T569 HydrophobicContact CE1-CG2 3.73Å; Y567-Y577 CarbonylContact O-C 3.49Å; Y567-Y577 WeakPolarHBondContact O-CA 3.25Å; Y567-F578 HydrophobicContact CD1-CB 4.43Å; Y567-F578 PolarHBondContact N-O 3.07Å; Y567-F578 PolarHBondContact O-N 3.5Å; Y567-P601 HydrophobicContact CD2-CB 4.28Å; Y567-P601 HydrophobicContact CD2-CG 3.8Å; Y567-P601 HydrophobicContact CE2-CB 3.8Å; Y567-P601 HydrophobicContact CE2-CG 3.66Å; Y567-A604 HydrophobicContact CD1-CB 3.84Å; Y567-A604 HydrophobicContact CE1-CB 4.05Å; Y567-L615 HydrophobicContact CE1-CD1 3.96Å
568G92.5Very high87.3Confident0 Ų042.1 Ų42.10%024%0.242CC..EExtended strand (participates in β ladder)trans-119.3145.1170.100000110.4A557 T576A557-G568 PolarHBondContact N-O 3.44Å; A557-G568 PolarHBondContact O-N 2.85Å; A557-G568 VanDerWaalsContact O-O 3.1Å; G568-T576 CarbonylContact C-O 3.43Å; G568-T576 VanDerWaalsContact CA-O 3.3Å; G568-T576 WeakPolarHBondContact CA-O 3.27Å
569T91.8Very high87.2Confident21 Ų2139.3 Ų39.313%0.12923%0.227CC..EExtended strand (participates in β ladder)trans-141.3141.2168.6175.80000111Q555 Y567 E575 T576 L615Q555-T569 CarbonylContact O-C 3.58Å; Q555-T569 WeakPolarHBondContact O-CA 3.34Å; Q555-T569 WeakPolarHBondContact O-CB 3.44Å; Q555-T569 PolarHBondContact O-OG1 3.24Å; Y567-T569 HydrophobicContact CE1-CG2 3.73Å; T569-E575 CarbonylContact O-C 3.4Å; T569-E575 WeakPolarHBondContact O-CA 3.47Å; T569-T576 PolarHBondContact N-O 2.91Å; T569-T576 PolarHBondContact O-N 2.8Å; T569-L615 HydrophobicContact CG2-CD1 4Å; T569-L615 HydrophobicContact CG2-CD2 3.74Å; T569-L615 HydrophobicContact CG2-CG 4.46Å
570R90.7Very high87Confident65 Ų6539.2 Ų39.225%0.24523%0.226CC..EExtended strand (participates in β ladder)trans-119.9133.7178.3173.8169.8174.3-149.21.4110.4F548 Q555 E575F548-R570 HydrophobicContact CB-CB 4.4Å; F548-R570 HydrophobicContact CD1-CB 3.68Å; F548-R570 HydrophobicContact CD2-CB 4.13Å; F548-R570 HydrophobicContact CE1-CB 3.89Å; F548-R570 HydrophobicContact CE2-CB 4.32Å; F548-R570 HydrophobicContact CG-CB 3.83Å; F548-R570 HydrophobicContact CZ-CB 4.22Å; F548-R570 PolarHBondContact O-NH1 2.84Å; Q555-R570 PolarHBondContact O-N 3.4Å; R570-E575 HydrophobicContact CB-CG 4.24Å; R570-E575 HydrophobicContact CG-CG 4.1Å
571S87.1Confident86.2Confident55 Ų5536.5 Ų36.539%0.38522%0.219SC..  trans-109.2-178.2162.570.90000110A573 Q574S571-A573 VanDerWaalsContact C-N 3.26Å; S571-A573 PolarHBondContact O-N 3.29Å; S571-Q574 PolarHBondContact N-O 3.29Å; S571-Q574 WeakPolarHBondContact OG-CA 3.48Å; S571-Q574 WeakPolarHBondContact OG-CB 3.46Å; S571-Q574 PolarHBondContact OG-N 2.88Å; S571-Q574 PolarHBondContact OG-O 2.88Å
572V82.1Confident84.9Confident124 Ų12440.6 Ų40.675%0.75223%0.226SC*.SBendtrans-59.3-37.3178.8-177.80000112.3
573A85Confident83.8Confident31 Ų3140.3 Ų40.326%0.25623%0.229SC..SBendtrans-116.5-10.9-171.900000114.7S516 V517 S571S516-A573 PolarHBondContact N-O 3.45Å; S516-A573 PolarHBondContact OG-O 3.04Å; S516-A573 VanDerWaalsContact OG-O 3.07Å; V517-A573 HydrophobicContact CG2-CB 3.65Å; S571-A573 VanDerWaalsContact C-N 3.26Å; S571-A573 PolarHBondContact O-N 3.29Å
574Q89.6Confident82.6Confident71 Ų7144.5 Ų44.533%0.33224%0.244SC..EExtended strand (participates in β ladder)trans-144.5139.6-170.5-59.2-178.1-23.700112.5H513 Y514 D515 S571H513-Q574 PolarHBondContact CE1-OE1 2.95Å; H513-Q574 VanDerWaalsContact CE1-OE1 3.29Å; Y514-Q574 CarbonylContact O-C 3.49Å; Y514-Q574 WeakPolarHBondContact O-CA 3.37Å; D515-Q574 HydrophobicContact CB-CG 4.27Å; D515-Q574 PolarHBondContact OD2-NE2 3.4Å; S571-Q574 PolarHBondContact N-O 3.29Å; S571-Q574 WeakPolarHBondContact OG-CA 3.48Å; S571-Q574 WeakPolarHBondContact OG-CB 3.46Å; S571-Q574 PolarHBondContact OG-N 2.88Å; S571-Q574 PolarHBondContact OG-O 2.88Å
575E91.3Very high81.5Confident13 Ų1345.3 Ų45.36%0.06125%0.246CC..EExtended strand (participates in β ladder)trans-117.6139.1173.8-63.2-178.417200110.1H513 Y514 H545 T569 R570 Y577H513-E575 WeakPolarHBondContact CA-O 3.3Å; Y514-E575 PolarHBondContact N-O 3.3Å; Y514-E575 PolarHBondContact O-N 3.45Å; H545-E575 IonicContact CE1-OE1 2.83Å; H545-E575 IonicContact CE1-OE2 3.25Å; H545-E575 IonicContact CG-OE2 2.71Å; H545-E575 IonicContact ND1-OE1 3.7Å; H545-E575 PolarHBondContact ND1-OE1 2.99Å; H545-E575 IonicContact ND1-OE2 3.38Å; H545-E575 PolarHBondContact ND1-OE2 2.98Å; T569-E575 CarbonylContact O-C 3.4Å; T569-E575 WeakPolarHBondContact O-CA 3.47Å; R570-E575 HydrophobicContact CB-CG 4.24Å; R570-E575 HydrophobicContact CG-CG 4.1Å; E575-Y577 HydrophobicContact CB-CE2 3.8Å; E575-Y577 PolarHBondContact OE2-OH 2.86Å
576T91.5Very high80.2Confident4 Ų452.8 Ų52.83%0.02527%0.274CS..EExtended strand (participates in β ladder)trans-135.4132.5-178.7-48.30000112.1A512 H513 G568 T569 L608 V613 L615A512-T576 WeakPolarHBondContact O-CA 3.41Å; H513-T576 HydrophobicContact CB-CG2 4.19Å; H513-T576 PolarHBondContact ND1-OG1 2.78Å; G568-T576 CarbonylContact C-O 3.43Å; G568-T576 VanDerWaalsContact CA-O 3.3Å; G568-T576 WeakPolarHBondContact CA-O 3.27Å; T569-T576 PolarHBondContact N-O 2.91Å; T569-T576 PolarHBondContact O-N 2.8Å; T576-L608 HydrophobicContact CG2-CD1 3.72Å; T576-V613 HydrophobicContact CG2-CG1 4.32Å; T576-L615 HydrophobicContact CG2-CD2 4.07Å
577Y91.7Very high79.1Confident0 Ų053 Ų530%028%0.276CS..EExtended strand (participates in β ladder)trans-121.9133.5-174.4-56.3-80000109.6L154 F511 A512 T541 L544 H545 F548 Y567 E575L154-Y577 HydrophobicContact CD2-CE2 4.4Å; F511-Y577 CarbonylContact C-O 3.56Å; F511-Y577 WeakPolarHBondContact CA-O 3.39Å; F511-Y577 WeakPolarHBondContact CB-O 3.19Å; A512-Y577 HydrophobicContact CB-CD2 4.36Å; A512-Y577 PolarHBondContact N-O 2.89Å; A512-Y577 PolarHBondContact O-N 3.32Å; T541-Y577 HydrophobicContact CG2-CD1 3.87Å; T541-Y577 HydrophobicContact CG2-CD2 3.7Å; T541-Y577 HydrophobicContact CG2-CE1 3.95Å; T541-Y577 HydrophobicContact CG2-CE2 3.8Å; T541-Y577 HydrophobicContact CG2-CG 3.74Å; L544-Y577 HydrophobicContact CB-CD1 4.26Å; L544-Y577 HydrophobicContact CB-CE1 3.59Å; L544-Y577 HydrophobicContact CD1-CD1 3.88Å; L544-Y577 HydrophobicContact CD1-CE1 4.07Å; L544-Y577 HydrophobicContact CG-CE1 4.47Å; H545-Y577 WeakPolarHBondContact CA-OH 3.19Å; H545-Y577 WeakPolarHBondContact CB-OH 3.41Å; F548-Y577 HydrophobicContact CD2-CE1 4.32Å; F548-Y577 AromaticContact CE2-CE1 3.89Å; F548-Y577 HydrophobicContact CE2-CE1 3.89Å; Y567-Y577 CarbonylContact O-C 3.49Å; Y567-Y577 WeakPolarHBondContact O-CA 3.25Å; E575-Y577 HydrophobicContact CB-CE2 3.8Å; E575-Y577 PolarHBondContact OE2-OH 2.86Å
578F90.7Very high77.9Confident3 Ų357.3 Ų57.31%0.01331%0.306CS..EExtended strand (participates in β ladder)trans-144.8132.9-174.7178.8-92.1000112.5Y509 L510 F511 V566 Y567 L600 K603 A604 R607 L608Y509-F578 HydrophobicContact CD2-CD2 4.16Å; Y509-F578 AromaticContact CD2-CE2 3.51Å; Y509-F578 HydrophobicContact CD2-CE2 3.51Å; Y509-F578 HydrophobicContact CD2-CZ 4.4Å; Y509-F578 HydrophobicContact CE2-CE2 4.36Å; Y509-F578 AromaticContact CG-CE2 3.79Å; Y509-F578 HydrophobicContact CG-CE2 3.79Å; Y509-F578 HydrophobicContact CG-CZ 4.24Å; L510-F578 WeakPolarHBondContact O-CA 3.41Å; F511-F578 HydrophobicContact CB-CD2 4.39Å; V566-F578 WeakPolarHBondContact CA-O 3.42Å; Y567-F578 HydrophobicContact CD1-CB 4.43Å; Y567-F578 PolarHBondContact N-O 3.07Å; Y567-F578 PolarHBondContact O-N 3.5Å; F578-L600 HydrophobicContact CD1-CD2 4.43Å; F578-L600 HydrophobicContact CE1-CD2 4.22Å; F578-K603 HydrophobicContact CE1-CB 4.28Å; F578-K603 HydrophobicContact CZ-CB 4.46Å; F578-A604 HydrophobicContact CB-CB 4.04Å; F578-A604 HydrophobicContact CD1-CB 3.78Å; F578-A604 HydrophobicContact CD2-CB 4.19Å; F578-A604 HydrophobicContact CE1-CB 4.27Å; F578-A604 HydrophobicContact CG-CB 3.74Å; F578-R607 HydrophobicContact CE2-CB 3.99Å; F578-R607 HydrophobicContact CZ-CB 4.34Å; F578-R607 HydrophobicContact CZ-CG 4.39Å; F578-L608 HydrophobicContact CD2-CD1 4.28Å; F578-L608 HydrophobicContact CD2-CD2 4.21Å; F578-L608 HydrophobicContact CD2-CG 4.19Å
579Q88.7Confident76.9Confident4 Ų460.2 Ų60.22%0.01934%0.336CS..EExtended strand (participates in β ladder)trans-133.6132174.4175.5179.2-30.400110.3Y509 L510 F537 V566Y509-Q579 CarbonylContact C-O 3.46Å; Y509-Q579 WeakPolarHBondContact CA-O 3.44Å; Y509-Q579 VanDerWaalsContact CB-O 3.3Å; Y509-Q579 WeakPolarHBondContact CB-O 3.23Å; L510-Q579 HydrophobicContact CB-CB 4.48Å; L510-Q579 PolarHBondContact N-O 2.76Å; L510-Q579 PolarHBondContact O-N 3.05Å; F537-Q579 HydrophobicContact CD2-CB 3.67Å; F537-Q579 HydrophobicContact CE2-CB 4.03Å; V566-Q579 HydrophobicContact CG2-CB 4.14Å; V566-Q579 HydrophobicContact CG2-CG 4.32Å
580Q85.3Confident76.3Confident48 Ų4866.5 Ų66.522%0.22437%0.367CS..EExtended strand (participates in β ladder)trans-83.7139.8169.8-178.4173.8-5.900110.5W582 M585 L600Q580-W582 PolarHBondContact NE2-O 3.34Å; Q580-M585 HydrophobicContact CB-CE 4.06Å; Q580-M585 HydrophobicContact CG-CE 4.48Å; Q580-M585 VanDerWaalsContact O-CE 3.23Å; Q580-M585 WeakPolarHBondContact O-CE 3.33Å; Q580-L600 HydrophobicContact CB-CD2 4.11Å
581H69.1Low75.6Confident76 Ų7665.4 Ų65.435%0.35237%0.368SS..  trans-104.7-13.3-175.4-136.589.9000114.9A508 P533A508-H581 PolarHBondContact O-N 3.12Å; P533-H581 WeakPolarHBondContact CB-CE1 3.41Å; P533-H581 WeakPolarHBondContact CB-NE2 3.48Å
582W54.6Low75.2Confident194 Ų19466.3 Ų66.374%0.73537%0.369SS*.SBendtrans-131.7132.1-174.5-135.9-71.8000113.8A508 Q580A508-W582 HydrophobicContact CB-CB 4.47Å; Q580-W582 PolarHBondContact NE2-O 3.34Å
583G52.7Low74.9Confident52 Ų5269.9 Ų69.954%0.53638%0.377SS..SBendtrans138.2155.5176.900000112M585G583-M585 VanDerWaalsContact C-N 3.32Å; G583-M585 PolarHBondContact O-N 3.24Å
584T50.1Low74.3Confident142 Ų14274.6 Ų74.687%0.87139%0.394SS*.  trans-71.285.7177-47.40000110.3R586T584-R586 PolarHBondContact O-N 3.05Å; T584-R586 VanDerWaalsContact O-N 3.1Å
585M57.9Low73.8Confident45 Ų4571.7 Ų71.722%0.22238%0.381CS..  trans-69103.3-175-81.1-164171.200112Q580 G583 N587Q580-M585 HydrophobicContact CB-CE 4.06Å; Q580-M585 HydrophobicContact CG-CE 4.48Å; Q580-M585 VanDerWaalsContact O-CE 3.23Å; Q580-M585 WeakPolarHBondContact O-CE 3.33Å; G583-M585 VanDerWaalsContact C-N 3.32Å; G583-M585 PolarHBondContact O-N 3.24Å; M585-N587 HydrophobicContact CB-CB 4.32Å; M585-N587 WeakPolarHBondContact CB-OD1 3.45Å; M585-N587 PolarHBondContact O-N 3.2Å; M585-N587 PolarHBondContact SD-ND2 2.99Å; M585-N587 VanDerWaalsContact SD-ND2 3.43Å
586R61Low73.1Confident156 Ų15672 Ų7259%0.58938%0.384SS*.  trans-76.155.8170.1-66.6-174.5174.4-167.8-4.1111.1T584T584-R586 PolarHBondContact O-N 3.05Å; T584-R586 VanDerWaalsContact O-N 3.1Å
587N65.9Low72.6Confident8 Ų872 Ų724%0.04339%0.385CS..  trans-109.65.7-169.4-60.525.3000112.9M585 D595 S596M585-N587 HydrophobicContact CB-CB 4.32Å; M585-N587 WeakPolarHBondContact CB-OD1 3.45Å; M585-N587 PolarHBondContact O-N 3.2Å; M585-N587 PolarHBondContact SD-ND2 2.99Å; M585-N587 VanDerWaalsContact SD-ND2 3.43Å; N587-D595 PolarHBondContact OD1-OD1 2.88Å; N587-S596 VanDerWaalsContact CG-OG 3.27Å; N587-S596 PolarHBondContact ND2-OG 3.05Å; N587-S596 VanDerWaalsContact ND2-OG 3.08Å; N587-S596 PolarHBondContact OD1-OG 3.47Å
588S67Low72.2Confident92 Ų9278.3 Ų78.364%0.64341%0.413SS*.SBendtrans-96.4139.4177.2-171.30000110.9
589G72.1Confident71.9Confident60 Ų6079.9 Ų79.962%0.61942%0.424SS*.SBendtrans90.4-153.8-177.500000114.1
590I77.4Confident71.8Confident154 Ų15479.7 Ų79.779%0.7942%0.423SS*.SBendtrans-78.2134.4178.5-58.5175.1000108.9N592I590-N592 PolarHBondContact O-N 3.09Å
591P77.6Confident71.9Confident42 Ų4278.3 Ų78.327%0.27342%0.418SS..  trans-57133.4177.4-25.335000111.7F598P591-F598 HydrophobicContact CB-CE2 4.17Å; P591-F598 HydrophobicContact CB-CZ 4.24Å
592N78.7Confident72.7Confident73 Ų7378.3 Ų78.339%0.3943%0.427SS..  trans-125.6169.4175.662.776.3000109.1I590 Q594 D595 F598I590-N592 PolarHBondContact O-N 3.09Å; N592-Q594 PolarHBondContact O-N 3.46Å; N592-Q594 WeakPolarHBondContact OD1-CA 3.33Å; N592-Q594 WeakPolarHBondContact OD1-CB 3.23Å; N592-Q594 PolarHBondContact OD1-N 3.24Å; N592-D595 VanDerWaalsContact O-CB 3.29Å; N592-D595 WeakPolarHBondContact O-CB 3.35Å; N592-D595 PolarHBondContact O-N 3.1Å; N592-D595 PolarHBondContact OD1-N 3.3Å; N592-F598 WeakPolarHBondContact O-CE2 3.3Å
593Q75Confident74.2Confident199 Ų19972.3 Ų72.393%0.9341%0.406SS*.THydrogen-bonded Turntrans-63.8-6.3-176.5-64.4177.6-7.500114.5
594Q72.4Confident75.7Confident131 Ų13169.8 Ų69.861%0.61238%0.38SS*.THydrogen-bonded Turntrans-108.14.8175.9-51.71780.500113.1N592 S596N592-Q594 PolarHBondContact O-N 3.46Å; N592-Q594 WeakPolarHBondContact OD1-CA 3.33Å; N592-Q594 WeakPolarHBondContact OD1-CB 3.23Å; N592-Q594 PolarHBondContact OD1-N 3.24Å; Q594-S596 PolarHBondContact O-N 3.45Å
595D79.3Confident77.4Confident9 Ų966.7 Ų66.75%0.04835%0.352CS..  trans-62.2132.4174.1-175.6-19.6000109.9N587 N592 A597 F598N587-D595 PolarHBondContact OD1-OD1 2.88Å; N592-D595 VanDerWaalsContact O-CB 3.29Å; N592-D595 WeakPolarHBondContact O-CB 3.35Å; N592-D595 PolarHBondContact O-N 3.1Å; N592-D595 PolarHBondContact OD1-N 3.3Å; D595-A597 PolarHBondContact O-N 2.86Å; D595-A597 VanDerWaalsContact OD1-CB 3.27Å; D595-A597 WeakPolarHBondContact OD1-CB 3.44Å; D595-A597 PolarHBondContact OD1-N 3.47Å; D595-F598 HydrophobicContact CB-CD2 3.96Å; D595-F598 HydrophobicContact CB-CE2 4.01Å; D595-F598 PolarHBondContact O-N 2.97Å
596S76.2Confident78.7Confident20 Ų2070.4 Ų70.414%0.1437%0.369CS..G310 helixtrans-64.2-21.6-178.675.80000112.8N587 Q594 F598 S599N587-S596 VanDerWaalsContact CG-OG 3.27Å; N587-S596 PolarHBondContact ND2-OG 3.05Å; N587-S596 VanDerWaalsContact ND2-OG 3.08Å; N587-S596 PolarHBondContact OD1-OG 3.47Å; Q594-S596 PolarHBondContact O-N 3.45Å; S596-F598 VanDerWaalsContact C-N 3.35Å; S596-F598 PolarHBondContact O-N 2.88Å; S596-S599 PolarHBondContact O-N 2.87Å; S596-S599 PolarHBondContact O-OG 3.29Å
597A81.9Confident79.7Confident4 Ų468.3 Ų68.33%0.03336%0.361CS..G310 helixtrans-50.4-48.9174.900000112.9I558 A565 D595 S599 L600I558-A597 HydrophobicContact CG2-CB 4.16Å; A565-A597 HydrophobicContact CB-CB 4.22Å; D595-A597 PolarHBondContact O-N 2.86Å; D595-A597 VanDerWaalsContact OD1-CB 3.27Å; D595-A597 WeakPolarHBondContact OD1-CB 3.44Å; D595-A597 PolarHBondContact OD1-N 3.47Å; A597-S599 PolarHBondContact O-N 2.98Å; A597-S599 VanDerWaalsContact O-N 3.12Å; A597-L600 WeakPolarHBondContact O-CB 3.5Å; A597-L600 WeakPolarHBondContact O-CG 3.39Å; A597-L600 PolarHBondContact O-N 3.41Å
598F83.7Confident80.5Confident133 Ų13368 Ų6858%0.58336%0.359SS*.G310 helixtrans-65.5-18.5-178.4-61.2-69.1000113.5P591 N592 D595 S596P591-F598 HydrophobicContact CB-CE2 4.17Å; P591-F598 HydrophobicContact CB-CZ 4.24Å; N592-F598 WeakPolarHBondContact O-CE2 3.3Å; D595-F598 HydrophobicContact CB-CD2 3.96Å; D595-F598 HydrophobicContact CB-CE2 4.01Å; D595-F598 PolarHBondContact O-N 2.97Å; S596-F598 VanDerWaalsContact C-N 3.35Å; S596-F598 PolarHBondContact O-N 2.88Å
599S83.8Confident81.2Confident36 Ų3668.2 Ų68.225%0.25235%0.353SS..G310 helixtrans-88.5-6.517574.40000114.1S596 A597 S602 K603S596-S599 PolarHBondContact O-N 2.87Å; S596-S599 PolarHBondContact O-OG 3.29Å; A597-S599 PolarHBondContact O-N 2.98Å; A597-S599 VanDerWaalsContact O-N 3.12Å; S599-S602 PolarHBondContact O-OG 3.43Å; S599-K603 WeakPolarHBondContact O-CB 3.42Å; S599-K603 VanDerWaalsContact O-CD 3.3Å; S599-K603 WeakPolarHBondContact O-CD 3.46Å; S599-K603 WeakPolarHBondContact O-CG 3.42Å; S599-K603 PolarHBondContact O-N 3.03Å; S599-K603 VanDerWaalsContact OG-CE 3.32Å; S599-K603 WeakPolarHBondContact OG-CE 3.4Å; S599-K603 PolarHBondContact OG-NZ 3.43Å
600L85.8Confident81.4Confident0 Ų072.4 Ų72.40%035%0.354CS..Hα-helixtrans-66.8-43.3-177.5-66178000114.1I558 A565 F578 Q580 A597 S602 K603 A604I558-L600 HydrophobicContact CG2-CD1 4.4Å; A565-L600 HydrophobicContact CB-CD1 3.7Å; A565-L600 WeakPolarHBondContact O-CD1 3.22Å; F578-L600 HydrophobicContact CD1-CD2 4.43Å; F578-L600 HydrophobicContact CE1-CD2 4.22Å; Q580-L600 HydrophobicContact CB-CD2 4.11Å; A597-L600 WeakPolarHBondContact O-CB 3.5Å; A597-L600 WeakPolarHBondContact O-CG 3.39Å; A597-L600 PolarHBondContact O-N 3.41Å; L600-S602 PolarHBondContact O-N 2.87Å; L600-K603 PolarHBondContact O-N 3.11Å; L600-A604 VanDerWaalsContact O-CB 3.28Å; L600-A604 WeakPolarHBondContact O-CB 3.3Å; L600-A604 PolarHBondContact O-N 3.32Å
601P87.9Confident81.1Confident18 Ų1868.7 Ų68.712%0.11733%0.333CS..Hα-helixtrans-62.5-41.3-175.8-22.532.8000113.1I558 Y567 A604 R605I558-P601 HydrophobicContact CD1-CG 4.4Å; Y567-P601 HydrophobicContact CD2-CB 4.28Å; Y567-P601 HydrophobicContact CD2-CG 3.8Å; Y567-P601 HydrophobicContact CE2-CB 3.8Å; Y567-P601 HydrophobicContact CE2-CG 3.66Å; P601-A604 PolarHBondContact O-N 2.94Å; P601-R605 WeakPolarHBondContact O-CB 3.38Å; P601-R605 WeakPolarHBondContact O-CG 3.32Å; P601-R605 PolarHBondContact O-N 3.37Å
602S85.5Confident80.8Confident76 Ų7669.5 Ų69.553%0.53135%0.349SS..Hα-helixtrans-70.7-37.1177.856.80000112.5S599 L600 H606S599-S602 PolarHBondContact O-OG 3.43Å; L600-S602 PolarHBondContact O-N 2.87Å; S602-H606 PolarHBondContact O-N 3.23Å
603K85.4Confident80.8Confident68 Ų6866.5 Ų66.530%0.29633%0.333SS..Hα-helixtrans-66.8-39.8172.1-71.3170.5-179.4169.70112.3F578 S599 L600 H606 R607F578-K603 HydrophobicContact CE1-CB 4.28Å; F578-K603 HydrophobicContact CZ-CB 4.46Å; S599-K603 WeakPolarHBondContact O-CB 3.42Å; S599-K603 VanDerWaalsContact O-CD 3.3Å; S599-K603 WeakPolarHBondContact O-CD 3.46Å; S599-K603 WeakPolarHBondContact O-CG 3.42Å; S599-K603 PolarHBondContact O-N 3.03Å; S599-K603 VanDerWaalsContact OG-CE 3.32Å; S599-K603 WeakPolarHBondContact OG-CE 3.4Å; S599-K603 PolarHBondContact OG-NZ 3.43Å; L600-K603 PolarHBondContact O-N 3.11Å; K603-H606 PolarHBondContact O-N 2.92Å; K603-R607 VanDerWaalsContact O-CB 3.27Å; K603-R607 WeakPolarHBondContact O-CB 3.31Å; K603-R607 VanDerWaalsContact O-CG 3.24Å; K603-R607 WeakPolarHBondContact O-CG 3.47Å; K603-R607 PolarHBondContact O-N 3.44Å
604A85.1Confident80.9Confident0 Ų065.2 Ų65.20%033%0.325CS..Hα-helixtrans-61.3-54.6175.300000109.9Y567 F578 L600 P601 H606 R607 L608 L615Y567-A604 HydrophobicContact CD1-CB 3.84Å; Y567-A604 HydrophobicContact CE1-CB 4.05Å; F578-A604 HydrophobicContact CB-CB 4.04Å; F578-A604 HydrophobicContact CD1-CB 3.78Å; F578-A604 HydrophobicContact CD2-CB 4.19Å; F578-A604 HydrophobicContact CE1-CB 4.27Å; F578-A604 HydrophobicContact CG-CB 3.74Å; L600-A604 VanDerWaalsContact O-CB 3.28Å; L600-A604 WeakPolarHBondContact O-CB 3.3Å; L600-A604 PolarHBondContact O-N 3.32Å; P601-A604 PolarHBondContact O-N 2.94Å; A604-H606 VanDerWaalsContact C-N 3.32Å; A604-H606 PolarHBondContact O-N 2.91Å; A604-R607 PolarHBondContact O-N 3.29Å; A604-R607 VanDerWaalsContact O-N 3.17Å; A604-L608 HydrophobicContact CB-CD1 4.01Å; A604-L608 VanDerWaalsContact O-CB 3.24Å; A604-L608 WeakPolarHBondContact O-CB 3.3Å; A604-L608 VanDerWaalsContact O-CG 3.27Å; A604-L608 WeakPolarHBondContact O-CG 3.29Å; A604-L608 PolarHBondContact O-N 3.35Å; A604-L615 HydrophobicContact CB-CD1 4.07Å
605R86.3Confident81.2Confident77 Ų7760.5 Ų60.529%0.29130%0.303SS..Hα-helixtrans-47.5-50.6173-77.3171.7177.4111.47.9111.6E556 P601 L609 L615 L616E556-R605 IonicContact OE1-CZ 3.67Å; E556-R605 IonicContact OE1-NH1 2.84Å; E556-R605 IonicContact OE1-NH2 3.59Å; E556-R605 PolarHBondContact OE1-NH2 2.99Å; P601-R605 WeakPolarHBondContact O-CB 3.38Å; P601-R605 WeakPolarHBondContact O-CG 3.32Å; P601-R605 PolarHBondContact O-N 3.37Å; R605-L609 WeakPolarHBondContact O-CD1 3.29Å; R605-L609 VanDerWaalsContact O-CG 3.23Å; R605-L609 WeakPolarHBondContact O-CG 3.33Å; R605-L615 HydrophobicContact CG-CB 3.91Å; R605-L616 PolarHBondContact NE-O 3.45Å; R605-L616 PolarHBondContact NH2-O 3.1Å
606H84.3Confident80.3Confident123 Ų12369.9 Ų69.957%0.56935%0.352SS*.Hα-helixtrans-71.7-34.9-179.4-176.181.1000115.1S602 K603 A604S602-H606 PolarHBondContact O-N 3.23Å; K603-H606 PolarHBondContact O-N 2.92Å; A604-H606 VanDerWaalsContact C-N 3.32Å; A604-H606 PolarHBondContact O-N 2.91Å
607R83.3Confident80.5Confident112 Ų11272.4 Ų72.442%0.42336%0.363SS..Hα-helixtrans-83.3-37-176.5-69.7-73.3173.5163.3-2.9112.7Y509 F578 K603 A604 K610Y509-R607 HydrophobicContact CE2-CB 4.31Å; F578-R607 HydrophobicContact CE2-CB 3.99Å; F578-R607 HydrophobicContact CZ-CB 4.34Å; F578-R607 HydrophobicContact CZ-CG 4.39Å; K603-R607 VanDerWaalsContact O-CB 3.27Å; K603-R607 WeakPolarHBondContact O-CB 3.31Å; K603-R607 VanDerWaalsContact O-CG 3.24Å; K603-R607 WeakPolarHBondContact O-CG 3.47Å; K603-R607 PolarHBondContact O-N 3.44Å; A604-R607 PolarHBondContact O-N 3.29Å; A604-R607 VanDerWaalsContact O-N 3.17Å; R607-K610 WeakPolarHBondContact O-CB 3.4Å; R607-K610 PolarHBondContact O-N 2.71Å
608L82.8Confident80.4Confident0 Ų075.9 Ų75.90%038%0.38CS..Hα-helixtrans-76.1-25.1-176.4-65.1171.8000112.9F511 T576 F578 A604 K610 H611 G612 V613 L615F511-L608 HydrophobicContact CB-CD2 3.65Å; F511-L608 HydrophobicContact CD1-CD2 4.23Å; F511-L608 HydrophobicContact CD2-CD2 3.78Å; F511-L608 HydrophobicContact CE2-CD2 4.5Å; F511-L608 HydrophobicContact CG-CD2 3.62Å; T576-L608 HydrophobicContact CG2-CD1 3.72Å; F578-L608 HydrophobicContact CD2-CD1 4.28Å; F578-L608 HydrophobicContact CD2-CD2 4.21Å; F578-L608 HydrophobicContact CD2-CG 4.19Å; A604-L608 HydrophobicContact CB-CD1 4.01Å; A604-L608 VanDerWaalsContact O-CB 3.24Å; A604-L608 WeakPolarHBondContact O-CB 3.3Å; A604-L608 VanDerWaalsContact O-CG 3.27Å; A604-L608 WeakPolarHBondContact O-CG 3.29Å; A604-L608 PolarHBondContact O-N 3.35Å; L608-K610 PolarHBondContact O-N 2.74Å; L608-K610 VanDerWaalsContact O-N 3.09Å; L608-H611 CarbonylContact O-C 3.54Å; L608-H611 WeakPolarHBondContact O-CA 3.37Å; L608-H611 PolarHBondContact O-N 3.05Å; L608-G612 PolarHBondContact O-N 3.25Å; L608-V613 CarbonylContact C-O 3.5Å; L608-V613 VanDerWaalsContact C-O 3.24Å; L608-V613 HydrophobicContact CB-CB 4.15Å; L608-V613 HydrophobicContact CB-CG1 4.29Å; L608-V613 PolarHBondContact O-N 3.48Å; L608-L615 HydrophobicContact CD1-CD1 3.74Å; L608-L615 HydrophobicContact CD1-CG 4.24Å
609L81.1Confident80.3Confident97 Ų9772.8 Ų72.851%0.50837%0.369SS..G310 helixtrans-52.9-28.4167.5-82168.8000113.3R605 H611 G612 V613 K614R605-L609 WeakPolarHBondContact O-CD1 3.29Å; R605-L609 VanDerWaalsContact O-CG 3.23Å; R605-L609 WeakPolarHBondContact O-CG 3.33Å; L609-H611 VanDerWaalsContact C-N 3.27Å; L609-H611 PolarHBondContact O-N 3.45Å; L609-G612 PolarHBondContact O-N 2.86Å; L609-V613 PolarHBondContact N-O 3.07Å; L609-K614 HydrophobicContact CD2-CG 3.79Å
610K76.8Confident80Confident149 Ų14974.9 Ų74.965%0.64838%0.376SS*.G310 helixtrans-71.7-20.3175.9-58.3-163.5174.3-156.30113.7R607 L608R607-K610 WeakPolarHBondContact O-CB 3.4Å; R607-K610 PolarHBondContact O-N 2.71Å; L608-K610 PolarHBondContact O-N 2.74Å; L608-K610 VanDerWaalsContact O-N 3.09Å
611H70.8Confident79.7Confident76 Ų7679.6 Ų79.635%0.35240%0.399SS..G310 helixtrans-101.616.4175.5-62.7-78.7000111.8Y509 F511 L608 L609 V613Y509-H611 AromaticContact CE2-NE2 3.89Å; Y509-H611 AromaticContact CZ-NE2 3.82Å; Y509-H611 PolarHBondContact OH-NE2 2.66Å; F511-H611 AromaticContact CE1-CD2 3.69Å; F511-H611 AromaticContact CE1-CE1 3.68Å; F511-H611 AromaticContact CE1-CG 3.81Å; F511-H611 AromaticContact CE1-ND1 3.83Å; F511-H611 AromaticContact CE1-NE2 3.59Å; F511-H611 HydrophobicContact CZ-CB 4.05Å; F511-H611 AromaticContact CZ-CD2 3.96Å; F511-H611 AromaticContact CZ-CG 3.63Å; F511-H611 AromaticContact CZ-ND1 3.72Å; L608-H611 CarbonylContact O-C 3.54Å; L608-H611 WeakPolarHBondContact O-CA 3.37Å; L608-H611 PolarHBondContact O-N 3.05Å; L609-H611 VanDerWaalsContact C-N 3.27Å; L609-H611 PolarHBondContact O-N 3.45Å; H611-V613 PolarHBondContact O-N 3.44Å; H611-V613 VanDerWaalsContact O-N 3.1Å
612G71.6Confident79.1Confident58 Ų5883.7 Ų83.760%0.59842%0.418SS*.THydrogen-bonded Turntrans75.5-14.1-177.300000115.3L608 L609 K614L608-G612 PolarHBondContact O-N 3.25Å; L609-G612 PolarHBondContact O-N 2.86Å; G612-K614 PolarHBondContact O-N 3.35Å
613V77.8Confident78.7Confident11 Ų1184.3 Ų84.37%0.06741%0.41CS..  trans-72.6111.7-178.3175.70000110.4H513 T576 L608 L609 H611 L615H513-V613 HydrophobicContact CB-CG2 4.09Å; T576-V613 HydrophobicContact CG2-CG1 4.32Å; L608-V613 CarbonylContact C-O 3.5Å; L608-V613 VanDerWaalsContact C-O 3.24Å; L608-V613 HydrophobicContact CB-CB 4.15Å; L608-V613 HydrophobicContact CB-CG1 4.29Å; L608-V613 PolarHBondContact O-N 3.48Å; L609-V613 PolarHBondContact N-O 3.07Å; H611-V613 PolarHBondContact O-N 3.44Å; H611-V613 VanDerWaalsContact O-N 3.1Å; V613-L615 HydrophobicContact CG1-CD2 4.13Å
614K77.9Confident78.2Confident172 Ų17285.5 Ų85.575%0.74842%0.419SS*.  trans-96.5103.7175.3-69.4179.7-179.2177.60109.8L609 G612L609-K614 HydrophobicContact CD2-CG 3.79Å; G612-K614 PolarHBondContact O-N 3.35Å
615L77.9Confident77.6Confident32 Ų3292.7 Ų92.717%0.16845%0.454CS..  trans-77.6134.1163.7-57.9-174.6000109Y567 T569 T576 A604 R605 L608 V613Y567-L615 HydrophobicContact CE1-CD1 3.96Å; T569-L615 HydrophobicContact CG2-CD1 4Å; T569-L615 HydrophobicContact CG2-CD2 3.74Å; T569-L615 HydrophobicContact CG2-CG 4.46Å; T576-L615 HydrophobicContact CG2-CD2 4.07Å; A604-L615 HydrophobicContact CB-CD1 4.07Å; R605-L615 HydrophobicContact CG-CB 3.91Å; L608-L615 HydrophobicContact CD1-CD1 3.74Å; L608-L615 HydrophobicContact CD1-CG 4.24Å; V613-L615 HydrophobicContact CG1-CD2 4.13Å
616L60.5Low76.8Confident205 Ų20594.1 Ų94.1100%1.07347%0.468SS*.  trans-66.70173.2-64.1172.4000111.4R605R605-L616 PolarHBondContact NE-O 3.45Å; R605-L616 PolarHBondContact NH2-O 3.1Å

Retrieved 616 of 616 residues in 132 ms (Link to these results)

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