A0A5K4F1G4_SCHMA Loading...

Peter pan-related

AlphaFold DB , UniProt , Accession A0A5K4F1G4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 553 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
1M44.8Very low76.4Confident239 Ų239141.9 Ų141.9100%1.17771%0.706SS**  0100.70-81.7-63.4-153.600110.8
2G55.4Low77.7Confident76 Ų76139 Ų13978%0.78470%0.695SS**  trans-81.1121.3176.300000112.1K4G2-K4 PolarHBondContact O-N 3.45Å
3H69.3Low78.7Confident188 Ų188133.3 Ų133.387%0.8768%0.683SS**  trans-65.5100175.1-71.6-61.2000111K5H3-K5 PolarHBondContact O-N 3.16Å
4K73.4Confident79.6Confident203 Ų203134.4 Ų134.488%0.88367%0.674SS**  trans-53.1113.9175.5-76.1-173.7175.2-179.30110.1G2 R6G2-K4 PolarHBondContact O-N 3.45Å; K4-R6 PolarHBondContact O-N 3.48Å; K4-R6 VanDerWaalsContact O-N 3.13Å
5K77.2Confident80.4Confident188 Ų188132.1 Ų132.182%0.81767%0.665SS**  trans-59.9113.5-178.7-73.1174.1178.3167.70109.5H3H3-K5 PolarHBondContact O-N 3.16Å
6R81.2Confident81.1Confident156 Ų156127.8 Ų127.859%0.58966%0.656SS**  trans-46.4142.4179.2-65.8-173.3-178.3-163.80.1111.8K4 R11K4-R6 PolarHBondContact O-N 3.48Å; K4-R6 VanDerWaalsContact O-N 3.13Å; R6-R11 HydrophobicContact CB-CG 4.49Å; R6-R11 VanDerWaalsContact O-CZ 3.22Å; R6-R11 PolarHBondContact O-NE 3.41Å; R6-R11 PolarHBondContact O-NH2 2.86Å
7P87Confident81.7Confident78 Ų78122.8 Ų122.851%0.50664%0.639SS.*  trans-61.1156.1-177.124.2-33.7000112.7S9 V10 R11P7-S9 VanDerWaalsContact C-N 3.35Å; P7-S9 PolarHBondContact O-N 3Å; P7-V10 HydrophobicContact CG-CB 4.1Å; P7-V10 HydrophobicContact CG-CG2 3.8Å; P7-V10 PolarHBondContact O-N 2.66Å; P7-R11 PolarHBondContact O-N 3.06Å
8K85.9Confident82.3Confident171 Ų171119.8 Ų119.874%0.74362%0.623SS**Hα-helixtrans-55.2-46.7-174.6-69.1-179.2-179.4175.80111.9V10 R11 N12K8-V10 PolarHBondContact O-N 3.28Å; K8-R11 WeakPolarHBondContact O-CB 3.47Å; K8-R11 PolarHBondContact O-N 2.91Å; K8-R11 VanDerWaalsContact O-N 3.11Å; K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 PolarHBondContact O-OD1 3.38Å
9S89.7Confident82.7Confident81 Ų81115.5 Ų115.557%0.56661%0.607SS**Hα-helixtrans-53.3-50.3177.650.30000113.1P7 R11 N12 A13P7-S9 VanDerWaalsContact C-N 3.35Å; P7-S9 PolarHBondContact O-N 3Å; S9-R11 VanDerWaalsContact C-N 3.27Å; S9-R11 PolarHBondContact O-N 3.14Å; S9-N12 PolarHBondContact O-N 3.26Å; S9-N12 VanDerWaalsContact O-N 3.15Å; S9-A13 WeakPolarHBondContact O-CB 3.45Å; S9-A13 PolarHBondContact O-N 3.41Å
10V88.7Confident83.1Confident66 Ų66114 Ų11440%0.460%0.599SS.*Hα-helixtrans-64.2-29.4179.3172.60000112.4P7 K8 R14P7-V10 HydrophobicContact CG-CB 4.1Å; P7-V10 HydrophobicContact CG-CG2 3.8Å; P7-V10 PolarHBondContact O-N 2.66Å; K8-V10 PolarHBondContact O-N 3.28Å; V10-R14 WeakPolarHBondContact O-CB 3.38Å; V10-R14 PolarHBondContact O-N 3.46Å
11R87.8Confident83.2Confident115 Ų115113.9 Ų113.943%0.43460%0.595SS.*Hα-helixtrans-73.1-45.2172-58.8-174.6-144.7164.112.2111.3R6 P7 K8 S9 R14 N15R6-R11 HydrophobicContact CB-CG 4.49Å; R6-R11 VanDerWaalsContact O-CZ 3.22Å; R6-R11 PolarHBondContact O-NE 3.41Å; R6-R11 PolarHBondContact O-NH2 2.86Å; P7-R11 PolarHBondContact O-N 3.06Å; K8-R11 WeakPolarHBondContact O-CB 3.47Å; K8-R11 PolarHBondContact O-N 2.91Å; K8-R11 VanDerWaalsContact O-N 3.11Å; S9-R11 VanDerWaalsContact C-N 3.27Å; S9-R11 PolarHBondContact O-N 3.14Å; R11-R14 PolarHBondContact O-N 2.89Å; R11-N15 WeakPolarHBondContact O-CB 3.28Å; R11-N15 PolarHBondContact O-N 3.17Å; R11-N15 PolarHBondContact O-ND2 3.35Å; R11-N15 PolarHBondContact O-OD1 2.83Å
12N91.4Very high85.2Confident107 Ų107108.5 Ų108.557%0.57257%0.567SS**Hα-helixtrans-63.3-45.2-179.9-69.17.8000111.2K8 S9 R14 N15 A16K8-N12 PolarHBondContact O-N 2.9Å; K8-N12 PolarHBondContact O-OD1 3.38Å; S9-N12 PolarHBondContact O-N 3.26Å; S9-N12 VanDerWaalsContact O-N 3.15Å; N12-R14 PolarHBondContact O-N 3.38Å; N12-N15 PolarHBondContact O-N 3.05Å; N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.45Å
13A91.4Very high86.7Confident65 Ų65112 Ų11254%0.53756%0.561SS.*Hα-helixtrans-60-42.6174.500000112.3S9 A16 A17S9-A13 WeakPolarHBondContact O-CB 3.45Å; S9-A13 PolarHBondContact O-N 3.41Å; A13-A16 PolarHBondContact O-N 3.15Å; A13-A17 WeakPolarHBondContact O-CB 3.27Å; A13-A17 PolarHBondContact O-N 2.91Å
14R91.3Very high87.5Confident149 Ų149110.7 Ų110.756%0.56255%0.548SS*.Hα-helixtrans-63.7-41.9174.5-173.9179.2-176.6-175.21.7112.2V10 R11 N12 A16 A17 L18V10-R14 WeakPolarHBondContact O-CB 3.38Å; V10-R14 PolarHBondContact O-N 3.46Å; R11-R14 PolarHBondContact O-N 2.89Å; N12-R14 PolarHBondContact O-N 3.38Å; R14-A16 VanDerWaalsContact C-N 3.35Å; R14-A17 PolarHBondContact O-N 3.38Å; R14-L18 HydrophobicContact CG-CD1 4.15Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.42Å
15N91.6Very high88.1Confident99 Ų99106.8 Ų106.853%0.52953%0.529SS..Hα-helixtrans-66.3-38178.4-65.8-10000111.5R11 N12 A19R11-N15 WeakPolarHBondContact O-CB 3.28Å; R11-N15 PolarHBondContact O-N 3.17Å; R11-N15 PolarHBondContact O-ND2 3.35Å; R11-N15 PolarHBondContact O-OD1 2.83Å; N12-N15 PolarHBondContact O-N 3.05Å; N15-A19 WeakPolarHBondContact O-CB 3.33Å; N15-A19 PolarHBondContact O-N 3.47Å
16A92.3Very high88.5Confident63 Ų63101.5 Ų101.552%0.52151%0.512SS..Hα-helixtrans-66.7-40.6174.500000112.1N12 A13 R14 A19 L20N12-A16 WeakPolarHBondContact O-CB 3.39Å; N12-A16 PolarHBondContact O-N 3.45Å; A13-A16 PolarHBondContact O-N 3.15Å; R14-A16 VanDerWaalsContact C-N 3.35Å; A16-A19 PolarHBondContact O-N 2.94Å; A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 3Å
17A91.2Very high88.8Confident44 Ų44102.8 Ų102.836%0.36452%0.522SS..Hα-helixtrans-61.9-47.9173.600000111.8A13 R14 A19 L20 E21A13-A17 WeakPolarHBondContact O-CB 3.27Å; A13-A17 PolarHBondContact O-N 2.91Å; R14-A17 PolarHBondContact O-N 3.38Å; A17-A19 PolarHBondContact O-N 2.88Å; A17-L20 WeakPolarHBondContact O-CB 3.23Å; A17-L20 PolarHBondContact O-N 3.49Å; A17-L20 VanDerWaalsContact O-N 3.1Å; A17-E21 WeakPolarHBondContact O-CG 3.3Å; A17-E21 PolarHBondContact O-N 3Å
18L91.6Very high88.9Confident68 Ų68100.6 Ų100.636%0.35651%0.508SS..Hα-helixtrans-60-43.6175.4-71.8168.5000111.9R14 L20 E21 E22R14-L18 HydrophobicContact CG-CD1 4.15Å; R14-L18 WeakPolarHBondContact O-CG 3.45Å; R14-L18 PolarHBondContact O-N 3.42Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.41Å; L18-E21 PolarHBondContact O-N 3.46Å; L18-E22 WeakPolarHBondContact O-CB 3.33Å; L18-E22 WeakPolarHBondContact O-CG 3.29Å; L18-E22 PolarHBondContact O-N 3.18Å
19A90.6Very high89.2Confident39 Ų3993.3 Ų93.332%0.32248%0.477SS..Hα-helixtrans-66.4-25.8176.300000113.3N15 A16 A17 K23N15-A19 WeakPolarHBondContact O-CB 3.33Å; N15-A19 PolarHBondContact O-N 3.47Å; A16-A19 PolarHBondContact O-N 2.94Å; A17-A19 PolarHBondContact O-N 2.88Å; A19-K23 WeakPolarHBondContact O-CB 3.48Å; A19-K23 VanDerWaalsContact O-CG 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.22Å; A19-K23 PolarHBondContact O-N 3.04Å; A19-K23 VanDerWaalsContact O-N 3.16Å
20L89.9Confident89.3Confident85 Ų8589.7 Ų89.745%0.44545%0.452SS..Hα-helixtrans-77.7-37.2172.2-17665.2000111.7A16 A17 L18 K23 R24A16-L20 WeakPolarHBondContact O-CB 3.44Å; A16-L20 PolarHBondContact O-N 3Å; A17-L20 WeakPolarHBondContact O-CB 3.23Å; A17-L20 PolarHBondContact O-N 3.49Å; A17-L20 VanDerWaalsContact O-N 3.1Å; L18-L20 VanDerWaalsContact C-N 3.26Å; L18-L20 PolarHBondContact O-N 3.41Å; L20-K23 PolarHBondContact O-N 3.09Å; L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.29Å; L20-R24 PolarHBondContact O-N 3.46Å
21E85.9Confident89.6Confident111 Ų11186.7 Ų86.752%0.51943%0.433SS..Hα-helixtrans-65.2-45.9172.7-72.6170.6174.500111.2A17 L18 K23 R24 Y25A17-E21 WeakPolarHBondContact O-CG 3.3Å; A17-E21 PolarHBondContact O-N 3Å; L18-E21 PolarHBondContact O-N 3.46Å; E21-K23 PolarHBondContact O-N 2.8Å; E21-R24 PolarHBondContact O-N 2.9Å; E21-Y25 WeakPolarHBondContact O-CB 3.4Å; E21-Y25 PolarHBondContact O-N 3.21Å
22E86.7Confident89.9Confident126 Ų12681.4 Ų81.459%0.58941%0.414SS*.Hα-helixtrans-54.3-50.9170.7-74.7171.9-172.700111.2L18 R24 Y25 T26L18-E22 WeakPolarHBondContact O-CB 3.33Å; L18-E22 WeakPolarHBondContact O-CG 3.29Å; L18-E22 PolarHBondContact O-N 3.18Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 2.79Å; E22-Y25 WeakPolarHBondContact O-CB 3.37Å; E22-Y25 PolarHBondContact O-N 2.94Å; E22-T26 WeakPolarHBondContact O-CG2 3.47Å; E22-T26 PolarHBondContact O-N 3.25Å; E22-T26 PolarHBondContact O-OG1 3.36Å
23K86.8Confident90.1Very high149 Ų14976.3 Ų76.365%0.64839%0.387SS*.Hα-helixtrans-58.6-42.6176.9-79.2175.6178.4-172.70112.6A19 L20 E21 T26 K27A19-K23 WeakPolarHBondContact O-CB 3.48Å; A19-K23 VanDerWaalsContact O-CG 3.25Å; A19-K23 WeakPolarHBondContact O-CG 3.22Å; A19-K23 PolarHBondContact O-N 3.04Å; A19-K23 VanDerWaalsContact O-N 3.16Å; L20-K23 PolarHBondContact O-N 3.09Å; E21-K23 PolarHBondContact O-N 2.8Å; K23-T26 PolarHBondContact O-N 3.29Å; K23-T26 PolarHBondContact O-OG1 3.09Å; K23-K27 PolarHBondContact O-N 2.79Å
24R85.5Confident90.2Very high162 Ų16273.3 Ų73.361%0.61136%0.361SS*.Hα-helixtrans-63.2-46.2176-75.4169.8176.4-178.3-0.7111.2L20 E21 E22 T26 K27 T28L20-R24 WeakPolarHBondContact O-CB 3.46Å; L20-R24 VanDerWaalsContact O-CG 3.29Å; L20-R24 WeakPolarHBondContact O-CG 3.29Å; L20-R24 PolarHBondContact O-N 3.46Å; E21-R24 PolarHBondContact O-N 2.9Å; E22-R24 VanDerWaalsContact C-N 3.34Å; E22-R24 PolarHBondContact O-N 2.79Å; R24-T26 PolarHBondContact O-N 3.42Å; R24-K27 PolarHBondContact O-N 2.93Å; R24-T28 PolarHBondContact O-N 3.31Å; R24-T28 PolarHBondContact O-OG1 3.33Å
25Y85.5Confident90.4Very high120 Ų12067 Ų6747%0.47134%0.34SS..Hα-helixtrans-56.7-46.7177-167.6-86.9000111.5E21 E22 K27 T28 H30E21-Y25 WeakPolarHBondContact O-CB 3.4Å; E21-Y25 PolarHBondContact O-N 3.21Å; E22-Y25 WeakPolarHBondContact O-CB 3.37Å; E22-Y25 PolarHBondContact O-N 2.94Å; Y25-K27 PolarHBondContact O-N 2.86Å; Y25-T28 PolarHBondContact O-N 3.08Å; Y25-T28 PolarHBondContact O-OG1 3.35Å; Y25-T28 VanDerWaalsContact O-OG1 3.07Å; Y25-H30 AromaticContact CD1-CE1 3.63Å; Y25-H30 AromaticContact CD2-CE1 3.48Å; Y25-H30 VanDerWaalsContact CD2-CE1 3.48Å; Y25-H30 WeakPolarHBondContact CD2-CE1 3.46Å; Y25-H30 AromaticContact CD2-NE2 3.49Å; Y25-H30 WeakPolarHBondContact CD2-NE2 3.42Å; Y25-H30 AromaticContact CE1-CE1 3.58Å; Y25-H30 AromaticContact CE1-ND1 3.93Å; Y25-H30 AromaticContact CE1-NE2 3.88Å; Y25-H30 AromaticContact CE2-CD2 3.95Å; Y25-H30 AromaticContact CE2-CE1 3.44Å; Y25-H30 VanDerWaalsContact CE2-CE1 3.44Å; Y25-H30 WeakPolarHBondContact CE2-CE1 3.32Å; Y25-H30 AromaticContact CE2-NE2 3.06Å; Y25-H30 WeakPolarHBondContact CE2-NE2 3.31Å; Y25-H30 AromaticContact CG-CE1 3.57Å; Y25-H30 AromaticContact CZ-CD2 3.75Å; Y25-H30 AromaticContact CZ-CE1 3.47Å; Y25-H30 VanDerWaalsContact CZ-CE1 3.47Å; Y25-H30 AromaticContact CZ-NE2 3.26Å; Y25-H30 VanDerWaalsContact CZ-NE2 3.26Å; Y25-H30 PolarHBondContact O-CE1 2.98Å; Y25-H30 PolarHBondContact O-ND1 3.18Å
26T86.4Confident90.3Very high77 Ų7767.2 Ų67.247%0.47233%0.334SS..Hα-helixtrans-66.5-15.9177.4580000114.7E22 K23 R24E22-T26 WeakPolarHBondContact O-CG2 3.47Å; E22-T26 PolarHBondContact O-N 3.25Å; E22-T26 PolarHBondContact O-OG1 3.36Å; K23-T26 PolarHBondContact O-N 3.29Å; K23-T26 PolarHBondContact O-OG1 3.09Å; R24-T26 PolarHBondContact O-N 3.42Å
27K87.4Confident90Very high184 Ų18467.1 Ų67.180%0.833%0.327SS*.Hα-helixtrans-96.9-28177.7-176.9168.9-179.4173.40113.2K23 R24 Y25K23-K27 PolarHBondContact O-N 2.79Å; R24-K27 PolarHBondContact O-N 2.93Å; Y25-K27 PolarHBondContact O-N 2.86Å
28T89.1Confident89.7Confident32 Ų3266.8 Ų66.820%0.19633%0.328CS..SBendtrans-78135.7177.5450000111.3R24 Y25 H30 F57R24-T28 PolarHBondContact O-N 3.31Å; R24-T28 PolarHBondContact O-OG1 3.33Å; Y25-T28 PolarHBondContact O-N 3.08Å; Y25-T28 PolarHBondContact O-OG1 3.35Å; Y25-T28 VanDerWaalsContact O-OG1 3.07Å; T28-H30 PolarHBondContact O-N 3.41Å; T28-H30 PolarHBondContact O-ND1 2.82Å; T28-H30 PolarHBondContact OG1-CE1 3.32Å; T28-H30 VanDerWaalsContact OG1-CE1 3.28Å; T28-F57 HydrophobicContact CG2-CE1 3.74Å; T28-F57 HydrophobicContact CG2-CZ 4.15Å
29P92.2Very high89.5Confident17 Ų1763.9 Ų63.911%0.1131%0.313CS..  trans-64.2130.3174.627.4-33000110.1T83 N215 L217 P218P29-T83 WeakPolarHBondContact CA-OG1 3.25Å; P29-T83 HydrophobicContact CB-CG2 4.07Å; P29-T83 WeakPolarHBondContact CB-OG1 3.46Å; P29-N215 WeakPolarHBondContact CB-O 3.33Å; P29-L217 VanDerWaalsContact CG-C 3.48Å; P29-L217 WeakPolarHBondContact CG-O 3.29Å; P29-P218 HydrophobicContact CG-CG 4.5Å
30H92.9Very high89.4Confident5 Ų564 Ų642%0.02332%0.319CS..EExtended strand (participates in β ladder)trans-111144177.1-78.494.8000111Y25 T28 F57 V82 T83 H84Y25-H30 AromaticContact CD1-CE1 3.63Å; Y25-H30 AromaticContact CD2-CE1 3.48Å; Y25-H30 VanDerWaalsContact CD2-CE1 3.48Å; Y25-H30 WeakPolarHBondContact CD2-CE1 3.46Å; Y25-H30 AromaticContact CD2-NE2 3.49Å; Y25-H30 WeakPolarHBondContact CD2-NE2 3.42Å; Y25-H30 AromaticContact CE1-CE1 3.58Å; Y25-H30 AromaticContact CE1-ND1 3.93Å; Y25-H30 AromaticContact CE1-NE2 3.88Å; Y25-H30 AromaticContact CE2-CD2 3.95Å; Y25-H30 AromaticContact CE2-CE1 3.44Å; Y25-H30 VanDerWaalsContact CE2-CE1 3.44Å; Y25-H30 WeakPolarHBondContact CE2-CE1 3.32Å; Y25-H30 AromaticContact CE2-NE2 3.06Å; Y25-H30 WeakPolarHBondContact CE2-NE2 3.31Å; Y25-H30 AromaticContact CG-CE1 3.57Å; Y25-H30 AromaticContact CZ-CD2 3.75Å; Y25-H30 AromaticContact CZ-CE1 3.47Å; Y25-H30 VanDerWaalsContact CZ-CE1 3.47Å; Y25-H30 AromaticContact CZ-NE2 3.26Å; Y25-H30 VanDerWaalsContact CZ-NE2 3.26Å; Y25-H30 PolarHBondContact O-CE1 2.98Å; Y25-H30 PolarHBondContact O-ND1 3.18Å; T28-H30 PolarHBondContact O-N 3.41Å; T28-H30 PolarHBondContact O-ND1 2.82Å; T28-H30 PolarHBondContact OG1-CE1 3.32Å; T28-H30 VanDerWaalsContact OG1-CE1 3.28Å; H30-F57 PolarHBondContact CD2-O 3.17Å; H30-F57 AromaticContact NE2-CD1 3.61Å; H30-V82 HydrophobicContact CB-CG2 4.28Å; H30-T83 PolarHBondContact N-OG1 3.47Å; H30-T83 VanDerWaalsContact N-OG1 3.15Å; H30-T83 PolarHBondContact O-N 3.48Å; H30-T83 PolarHBondContact O-OG1 3.47Å; H30-H84 PolarHBondContact O-N 2.97Å; H30-H84 VanDerWaalsContact O-N 3.16Å
31T93.7Very high89.5Confident3 Ų364.3 Ų64.32%0.01833%0.328CS..EExtended strand (participates in β ladder)trans-114.3138.8177.9660000110.4F54 F57 T58 H84 L216T31-F54 HydrophobicContact CG2-CD1 4.43Å; T31-F57 PolarHBondContact N-O 2.85Å; T31-T58 WeakPolarHBondContact O-CA 3.4Å; T31-T58 WeakPolarHBondContact O-CB 3.44Å; T31-T58 PolarHBondContact O-OG1 3.35Å; T31-T58 WeakPolarHBondContact OG1-CB 3.32Å; T31-T58 PolarHBondContact OG1-OG1 3.19Å; T31-H84 CarbonylContact C-O 3.56Å; T31-H84 WeakPolarHBondContact CA-O 3.48Å; T31-H84 HydrophobicContact CG2-CB 4.36Å; T31-L216 HydrophobicContact CG2-CB 4.46Å; T31-L216 HydrophobicContact CG2-CD2 4.18Å
32M93.9Very high89.8Confident4 Ų462.5 Ų62.52%0.0232%0.321CS..EExtended strand (participates in β ladder)trans-112.5119.4163.1-77.4-167.2-60.100109.8A59 L62 I76 A77 L80 V82 H84 L85 L86M32-A59 HydrophobicContact CG-CB 4.38Å; M32-L62 HydrophobicContact CB-CD2 4.23Å; M32-L62 HydrophobicContact CG-CD2 4.36Å; M32-L62 HydrophobicContact SD-CD2 4.24Å; M32-I76 HydrophobicContact CE-CG2 4.29Å; M32-I76 HydrophobicContact SD-CG2 4.48Å; M32-A77 HydrophobicContact CE-CB 3.89Å; M32-L80 HydrophobicContact SD-CD1 4.44Å; M32-V82 HydrophobicContact CB-CG1 4.07Å; M32-V82 HydrophobicContact CE-CB 4.17Å; M32-V82 HydrophobicContact CE-CG1 4Å; M32-V82 HydrophobicContact CE-CG2 4.04Å; M32-V82 HydrophobicContact CG-CB 4.42Å; M32-V82 HydrophobicContact CG-CG1 3.84Å; M32-V82 HydrophobicContact CG-CG2 3.79Å; M32-V82 HydrophobicContact SD-CG2 4.11Å; M32-H84 PolarHBondContact N-O 3.1Å; M32-L85 HydrophobicContact CB-CD2 3.82Å; M32-L85 HydrophobicContact CE-CD2 3.64Å; M32-L85 WeakPolarHBondContact O-CA 3.35Å; M32-L86 PolarHBondContact O-N 2.94Å
33I95.5Very high90.2Very high1 Ų156.9 Ų56.91%0.00530%0.296CS..EExtended strand (participates in β ladder)trans-112.4127.2-175.5-47.3-170.3000109.6V50 R51 F54 L86I33-V50 HydrophobicContact CD1-CG1 4.02Å; I33-V50 HydrophobicContact CG2-CG1 4.04Å; I33-R51 HydrophobicContact CB-CG 3.91Å; I33-R51 HydrophobicContact CG2-CG 4.37Å; I33-R51 VanDerWaalsContact O-CZ 3.25Å; I33-R51 PolarHBondContact O-NE 2.81Å; I33-R51 PolarHBondContact O-NH2 3.49Å; I33-F54 HydrophobicContact CD1-CB 4.05Å; I33-F54 HydrophobicContact CD1-CD2 3.36Å; I33-F54 HydrophobicContact CD1-CE2 4.08Å; I33-F54 HydrophobicContact CD1-CG 3.94Å; I33-L86 VanDerWaalsContact CA-O 3.29Å; I33-L86 WeakPolarHBondContact CA-O 3.47Å; I33-L86 HydrophobicContact CB-CB 4.48Å; I33-L86 HydrophobicContact CD1-CD2 4.37Å; I33-L86 HydrophobicContact CG1-CB 4.17Å; I33-L86 HydrophobicContact CG2-CB 4.15Å
34F94.8Very high90.5Very high2 Ų254.9 Ų54.91%0.00929%0.287CS..EExtended strand (participates in β ladder)trans-153175.1-177.165-85.2000114.2S47 L62 V64 L70 F73 L86 Y87 F88F34-S47 WeakPolarHBondContact CA-OG 3.43Å; F34-S47 PolarHBondContact O-OG 3.31Å; F34-L62 HydrophobicContact CB-CD2 4.36Å; F34-V64 HydrophobicContact CB-CG2 3.79Å; F34-V64 HydrophobicContact CD2-CG2 4.4Å; F34-V64 HydrophobicContact CG-CG2 4.47Å; F34-L70 HydrophobicContact CZ-CD1 3.91Å; F34-F73 HydrophobicContact CD1-CD1 4.26Å; F34-F73 HydrophobicContact CD1-CE1 4.44Å; F34-F73 HydrophobicContact CD2-CD2 4.48Å; F34-F73 HydrophobicContact CD2-CE1 4.36Å; F34-F73 HydrophobicContact CD2-CE2 4.11Å; F34-F73 HydrophobicContact CD2-CZ 4.06Å; F34-F73 HydrophobicContact CE1-CB 4.2Å; F34-F73 HydrophobicContact CE1-CD1 4.07Å; F34-F73 HydrophobicContact CE1-CD2 4.36Å; F34-F73 AromaticContact CE1-CG 3.95Å; F34-F73 HydrophobicContact CE1-CG 3.95Å; F34-F73 AromaticContact CE2-CD2 3.76Å; F34-F73 HydrophobicContact CE2-CD2 3.76Å; F34-F73 AromaticContact CE2-CE2 3.73Å; F34-F73 HydrophobicContact CE2-CE2 3.73Å; F34-F73 HydrophobicContact CE2-CG 4.18Å; F34-F73 HydrophobicContact CE2-CZ 4.13Å; F34-F73 HydrophobicContact CG-CE1 4.32Å; F34-F73 HydrophobicContact CG-CZ 4.45Å; F34-F73 HydrophobicContact CZ-CB 4.1Å; F34-F73 HydrophobicContact CZ-CD1 4.21Å; F34-F73 AromaticContact CZ-CD2 3.69Å; F34-F73 HydrophobicContact CZ-CD2 3.69Å; F34-F73 HydrophobicContact CZ-CE2 4.14Å; F34-F73 AromaticContact CZ-CG 3.73Å; F34-F73 HydrophobicContact CZ-CG 3.73Å; F34-L86 PolarHBondContact N-O 3.38Å; F34-Y87 HydrophobicContact CE1-CD1 4.2Å; F34-Y87 HydrophobicContact CE1-CG 4.46Å; F34-Y87 HydrophobicContact CE2-CD1 4.21Å; F34-Y87 AromaticContact CE2-CG 3.97Å; F34-Y87 HydrophobicContact CE2-CG 3.97Å; F34-Y87 AromaticContact CZ-CD1 3.71Å; F34-Y87 HydrophobicContact CZ-CD1 3.71Å; F34-Y87 AromaticContact CZ-CG 3.91Å; F34-Y87 HydrophobicContact CZ-CG 3.91Å; F34-Y87 CarbonylContact O-C 3.59Å; F34-Y87 WeakPolarHBondContact O-CA 3.46Å; F34-Y87 VanDerWaalsContact O-CB 3.32Å; F34-Y87 WeakPolarHBondContact O-CB 3.49Å; F34-F88 PolarHBondContact O-N 3.42Å
35S93.7Very high90.9Very high17 Ų1750.4 Ų50.412%0.11927%0.273CS..EExtended strand (participates in β ladder)trans-122.8136.6174.361.60000110.4S47S35-S47 PolarHBondContact N-OG 2.86Å
36R90.6Very high91.4Very high103 Ų10344.7 Ų44.739%0.38925%0.251SS..  trans-70.1148178-67.6-168.568-167.51111.8G38 V39 Y87 F88R36-G38 PolarHBondContact O-N 3.33Å; R36-V39 PolarHBondContact O-N 2.83Å; R36-Y87 HydrophobicContact CG-CD2 3.69Å; R36-Y87 HydrophobicContact CG-CE2 4.15Å; R36-Y87 HydrophobicContact CG-CG 4.41Å; R36-F88 PolarHBondContact N-O 2.93Å
37P86.6Confident91.8Very high60 Ų6041.1 Ų41.139%0.3923%0.229SC..THydrogen-bonded Turntrans-65.3120.7177.527.1-34.3000110.7R66P37-R66 HydrophobicContact CB-CB 4.21Å; P37-R66 HydrophobicContact CB-CG 4.1Å
38G84.2Confident92.1Very high37 Ų3736 Ų3638%0.38121%0.21SC..THydrogen-bonded Turntrans129.2-12-175.200000114.4R36 N92R36-G38 PolarHBondContact O-N 3.33Å; G38-N92 PolarHBondContact O-ND2 3.3Å
39V88.1Confident92.4Very high7 Ų734.7 Ų34.74%0.04220%0.202CC..  trans-76.5155.7172.9-54.30000112.8R36 V43 K44 H90R36-V39 PolarHBondContact O-N 2.83Å; V39-V43 HydrophobicContact CB-CB 3.97Å; V39-V43 HydrophobicContact CB-CG1 3.88Å; V39-V43 HydrophobicContact CG1-CG1 4.08Å; V39-V43 HydrophobicContact CG2-CB 4.14Å; V39-V43 HydrophobicContact CG2-CG1 4.07Å; V39-K44 HydrophobicContact CG2-CG 3.84Å; V39-K44 WeakPolarHBondContact O-CE 3.48Å; V39-K44 PolarHBondContact O-NZ 3.32Å; V39-H90 HydrophobicContact CG1-CB 3.98Å
40G87.9Confident92.5Very high43 Ų4334.2 Ų34.244%0.44320%0.199SC..  trans-66.5173.7175.100000114.6K44G40-K44 WeakPolarHBondContact O-CG 3.34Å; G40-K44 PolarHBondContact O-N 2.87Å
41S91.4Very high92.6Very high90 Ų9034.8 Ų34.863%0.62920%0.2SC*.Hα-helixtrans-63.4-45.4178.447.20000112.7V43 K44 Q45S41-V43 VanDerWaalsContact C-N 3.34Å; S41-V43 PolarHBondContact O-N 2.9Å; S41-K44 WeakPolarHBondContact O-CB 3.41Å; S41-K44 PolarHBondContact O-N 2.83Å; S41-K44 VanDerWaalsContact O-N 3.09Å; S41-Q45 PolarHBondContact O-N 3.19Å
42L93.6Very high92.5Very high73 Ų7337.2 Ų37.238%0.38221%0.212SC..Hα-helixtrans-59.1-42.8179.3-56.5178.7000111.9K44 Q45 L46 Y160 L162L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.16Å; L42-Q45 WeakPolarHBondContact O-CB 3.29Å; L42-Q45 PolarHBondContact O-N 3.3Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; L42-L46 PolarHBondContact O-N 2.87Å; L42-Y160 HydrophobicContact CB-CE2 4.15Å; L42-L162 HydrophobicContact CD2-CD1 4.03Å
43V93.6Very high92.4Very high8 Ų837.2 Ų37.25%0.04821%0.212CC..Hα-helixtrans-68.2-28.7177.4-175.20000112.4V39 S41 S47 F88 V140V39-V43 HydrophobicContact CB-CB 3.97Å; V39-V43 HydrophobicContact CB-CG1 3.88Å; V39-V43 HydrophobicContact CG1-CG1 4.08Å; V39-V43 HydrophobicContact CG2-CB 4.14Å; V39-V43 HydrophobicContact CG2-CG1 4.07Å; S41-V43 VanDerWaalsContact C-N 3.34Å; S41-V43 PolarHBondContact O-N 2.9Å; V43-S47 WeakPolarHBondContact O-CB 3.45Å; V43-S47 PolarHBondContact O-N 3.02Å; V43-F88 HydrophobicContact CG1-CB 3.73Å; V43-F88 HydrophobicContact CG1-CD1 4.4Å; V43-F88 HydrophobicContact CG1-CG 4.12Å; V43-V140 HydrophobicContact CG1-CG1 3.87Å; V43-V140 HydrophobicContact CG2-CG1 4.22Å; V43-V140 HydrophobicContact CG2-CG2 3.59Å
44K93.6Very high92.3Very high107 Ų10737.7 Ų37.747%0.46521%0.214SC..Hα-helixtrans-69.3-40.2170.4-66.5164-165.4155.20111V39 G40 S41 L42 S47 L48V39-K44 HydrophobicContact CG2-CG 3.84Å; V39-K44 WeakPolarHBondContact O-CE 3.48Å; V39-K44 PolarHBondContact O-NZ 3.32Å; G40-K44 WeakPolarHBondContact O-CG 3.34Å; G40-K44 PolarHBondContact O-N 2.87Å; S41-K44 WeakPolarHBondContact O-CB 3.41Å; S41-K44 PolarHBondContact O-N 2.83Å; S41-K44 VanDerWaalsContact O-N 3.09Å; L42-K44 VanDerWaalsContact C-N 3.31Å; L42-K44 PolarHBondContact O-N 3.16Å; K44-S47 PolarHBondContact O-N 3.41Å; K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 3.13Å; K44-L48 VanDerWaalsContact O-N 3.16Å
45Q94.5Very high92Very high68 Ų6839.6 Ų39.632%0.31822%0.223SC..Hα-helixtrans-63.6-46.5173.9-171.16145.500110.8S41 L42 S47 L48 D49 L162S41-Q45 PolarHBondContact O-N 3.19Å; L42-Q45 WeakPolarHBondContact O-CB 3.29Å; L42-Q45 PolarHBondContact O-N 3.3Å; L42-Q45 VanDerWaalsContact O-N 3.12Å; Q45-S47 VanDerWaalsContact C-N 3.25Å; Q45-S47 PolarHBondContact O-N 2.91Å; Q45-L48 CarbonylContact O-C 3.58Å; Q45-L48 WeakPolarHBondContact O-CA 3.48Å; Q45-L48 WeakPolarHBondContact O-CB 3.36Å; Q45-L48 PolarHBondContact O-N 3.4Å; Q45-D49 PolarHBondContact NE2-OD1 3.06Å; Q45-D49 VanDerWaalsContact O-CG 3.3Å; Q45-D49 PolarHBondContact O-N 2.99Å; Q45-L162 HydrophobicContact CB-CD1 4.13Å; Q45-L162 HydrophobicContact CB-CD2 4.16Å; Q45-L162 HydrophobicContact CG-CD1 4.08Å; Q45-L162 HydrophobicContact CG-CD2 4.24Å
46L95.4Very high91.9Very high0 Ų041.8 Ų41.80%024%0.236CC..Hα-helixtrans-56-41.2174-172.266.4000111.6L42 L48 D49 V50 F88 Y160 L162 P413 I415L42-L46 PolarHBondContact O-N 2.87Å; L46-L48 PolarHBondContact O-N 3.35Å; L46-D49 PolarHBondContact O-N 2.89Å; L46-V50 HydrophobicContact CD1-CG2 4.32Å; L46-V50 HydrophobicContact CG-CG2 4.37Å; L46-V50 WeakPolarHBondContact O-CB 3.44Å; L46-V50 VanDerWaalsContact O-CG2 3.22Å; L46-V50 WeakPolarHBondContact O-CG2 3.25Å; L46-V50 PolarHBondContact O-N 3.05Å; L46-F88 HydrophobicContact CD2-CD1 4.46Å; L46-F88 HydrophobicContact CD2-CE1 3.77Å; L46-F88 HydrophobicContact CD2-CZ 3.92Å; L46-F88 HydrophobicContact CG-CE1 4.39Å; L46-F88 HydrophobicContact CG-CZ 4.04Å; L46-Y160 HydrophobicContact CD1-CD2 4.32Å; L46-Y160 HydrophobicContact CD2-CD2 3.95Å; L46-Y160 HydrophobicContact CD2-CG 3.88Å; L46-L162 HydrophobicContact CB-CD2 3.72Å; L46-L162 HydrophobicContact CD1-CD2 4.11Å; L46-P413 HydrophobicContact CD1-CB 3.84Å; L46-P413 HydrophobicContact CD1-CG 4.13Å; L46-I415 HydrophobicContact CD1-CD1 3.96Å; L46-I415 HydrophobicContact CD1-CG1 4.14Å; L46-I415 HydrophobicContact CG-CD1 4.45Å
47S95Very high91.9Very high3 Ų339 Ų392%0.02123%0.227CC..Hα-helixtrans-68.1-13174.4-176.10000114.7F34 S35 V43 K44 Q45 R51F34-S47 WeakPolarHBondContact CA-OG 3.43Å; F34-S47 PolarHBondContact O-OG 3.31Å; S35-S47 PolarHBondContact N-OG 2.86Å; V43-S47 WeakPolarHBondContact O-CB 3.45Å; V43-S47 PolarHBondContact O-N 3.02Å; K44-S47 PolarHBondContact O-N 3.41Å; Q45-S47 VanDerWaalsContact C-N 3.25Å; Q45-S47 PolarHBondContact O-N 2.91Å; S47-R51 WeakPolarHBondContact O-CD 3.31Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-NE 2.99Å
48L94.1Very high92.2Very high77 Ų7736.9 Ų36.940%0.40321%0.213SC..Hα-helixtrans-92.7-47.6169.7-65.8175.5000110.5K44 Q45 L46 V50 R51 E52K44-L48 WeakPolarHBondContact O-CG 3.44Å; K44-L48 PolarHBondContact O-N 3.13Å; K44-L48 VanDerWaalsContact O-N 3.16Å; Q45-L48 CarbonylContact O-C 3.58Å; Q45-L48 WeakPolarHBondContact O-CA 3.48Å; Q45-L48 WeakPolarHBondContact O-CB 3.36Å; Q45-L48 PolarHBondContact O-N 3.4Å; L46-L48 PolarHBondContact O-N 3.35Å; L48-V50 PolarHBondContact O-N 2.89Å; L48-R51 WeakPolarHBondContact O-CA 3.49Å; L48-R51 VanDerWaalsContact O-CB 3.29Å; L48-R51 WeakPolarHBondContact O-CB 3.46Å; L48-R51 PolarHBondContact O-N 2.67Å; L48-E52 PolarHBondContact O-N 2.71Å
49D94.5Very high92.5Very high4 Ų437 Ų372%0.02121%0.21CC..Hα-helixtrans-55.5-41176.8-61.3-1.3000111.1Q45 L46 R51 E52 I53 L162 K163 P413Q45-D49 PolarHBondContact NE2-OD1 3.06Å; Q45-D49 VanDerWaalsContact O-CG 3.3Å; Q45-D49 PolarHBondContact O-N 2.99Å; L46-D49 PolarHBondContact O-N 2.89Å; D49-R51 VanDerWaalsContact C-N 3.33Å; D49-R51 PolarHBondContact O-N 3.43Å; D49-E52 PolarHBondContact O-N 3.45Å; D49-I53 PolarHBondContact O-N 2.79Å; D49-L162 WeakPolarHBondContact OD2-CA 3.46Å; D49-L162 WeakPolarHBondContact OD2-CB 3.39Å; D49-K163 HydrophobicContact CB-CB 4.08Å; D49-K163 WeakPolarHBondContact OD2-CB 3.35Å; D49-K163 PolarHBondContact OD2-N 3.21Å; D49-P413 HydrophobicContact CB-CB 4.31Å; D49-P413 HydrophobicContact CB-CG 3.99Å
50V94.5Very high92.4Very high7 Ų739.1 Ų39.14%0.04223%0.226CC..Hα-helixtrans-68.8-25.9175.8174.90000112.7I33 L46 L48 I53 F54 F88 P413 I415I33-V50 HydrophobicContact CD1-CG1 4.02Å; I33-V50 HydrophobicContact CG2-CG1 4.04Å; L46-V50 HydrophobicContact CD1-CG2 4.32Å; L46-V50 HydrophobicContact CG-CG2 4.37Å; L46-V50 WeakPolarHBondContact O-CB 3.44Å; L46-V50 VanDerWaalsContact O-CG2 3.22Å; L46-V50 WeakPolarHBondContact O-CG2 3.25Å; L46-V50 PolarHBondContact O-N 3.05Å; L48-V50 PolarHBondContact O-N 2.89Å; V50-I53 HydrophobicContact CB-CD1 4.4Å; V50-I53 HydrophobicContact CG1-CD1 4.35Å; V50-I53 HydrophobicContact CG2-CD1 4.28Å; V50-I53 WeakPolarHBondContact O-CB 3.3Å; V50-I53 PolarHBondContact O-N 2.7Å; V50-F54 HydrophobicContact CG1-CD2 4.45Å; V50-F54 HydrophobicContact CG1-CE2 4.32Å; V50-F54 WeakPolarHBondContact O-CD2 3.19Å; V50-F88 HydrophobicContact CG2-CE2 4.4Å; V50-F88 HydrophobicContact CG2-CZ 4.21Å; V50-P413 HydrophobicContact CG2-CG 3.85Å; V50-I415 HydrophobicContact CG2-CD1 3.66Å
51R94.6Very high92.6Very high16 Ų1648.5 Ų48.56%0.0625%0.248CC..Hα-helixtrans-66.7-42.4171.9-71.2166.3178.6-170.4-2.4111.1I33 S47 L48 D49 I53 F54 E55 T58 S60 L62I33-R51 HydrophobicContact CB-CG 3.91Å; I33-R51 HydrophobicContact CG2-CG 4.37Å; I33-R51 VanDerWaalsContact O-CZ 3.25Å; I33-R51 PolarHBondContact O-NE 2.81Å; I33-R51 PolarHBondContact O-NH2 3.49Å; S47-R51 WeakPolarHBondContact O-CD 3.31Å; S47-R51 WeakPolarHBondContact O-CG 3.4Å; S47-R51 PolarHBondContact O-NE 2.99Å; L48-R51 WeakPolarHBondContact O-CA 3.49Å; L48-R51 VanDerWaalsContact O-CB 3.29Å; L48-R51 WeakPolarHBondContact O-CB 3.46Å; L48-R51 PolarHBondContact O-N 2.67Å; D49-R51 VanDerWaalsContact C-N 3.33Å; D49-R51 PolarHBondContact O-N 3.43Å; R51-I53 PolarHBondContact O-N 3.46Å; R51-F54 PolarHBondContact O-N 3.26Å; R51-E55 PolarHBondContact O-N 2.86Å; R51-E55 VanDerWaalsContact O-N 3.17Å; R51-T58 HydrophobicContact CB-CG2 4.08Å; R51-T58 WeakPolarHBondContact O-CG2 3.42Å; R51-S60 PolarHBondContact NH1-O 3.29Å; R51-L62 VanDerWaalsContact CZ-O 3.29Å; R51-L62 PolarHBondContact NH1-O 2.99Å; R51-L62 PolarHBondContact NH2-O 2.94Å
52E91.9Very high92.6Very high54 Ų5446 Ų4625%0.25223%0.227SC..Hα-helixtrans-60.8-30.2-179.5-61.4178.2125.800111.9L48 D49 F54 K163 Y179 R232L48-E52 PolarHBondContact O-N 2.71Å; D49-E52 PolarHBondContact O-N 3.45Å; E52-F54 PolarHBondContact O-N 3.37Å; E52-K163 IonicContact OE1-NZ 3.95Å; E52-K163 PolarHBondContact OE1-NZ 3.38Å; E52-K163 WeakPolarHBondContact OE2-CD 3.37Å; E52-K163 WeakPolarHBondContact OE2-CE 3.42Å; E52-K163 IonicContact OE2-NZ 2.8Å; E52-K163 PolarHBondContact OE2-NZ 2.87Å; E52-Y179 HydrophobicContact CB-CD1 4.05Å; E52-Y179 HydrophobicContact CB-CE1 3.8Å; E52-Y179 WeakPolarHBondContact O-CD1 3.42Å; E52-R232 PolarHBondContact O-NH1 3.28Å; E52-R232 VanDerWaalsContact O-NH1 3.17Å
53I92.6Very high92.5Very high4 Ų453.3 Ų53.32%0.02125%0.25CC..Hα-helixtrans-55.4-52.2169.3-51.1175.6000110.6D49 V50 R51 E55 P183 R232 L234 P413D49-I53 PolarHBondContact O-N 2.79Å; V50-I53 HydrophobicContact CB-CD1 4.4Å; V50-I53 HydrophobicContact CG1-CD1 4.35Å; V50-I53 HydrophobicContact CG2-CD1 4.28Å; V50-I53 WeakPolarHBondContact O-CB 3.3Å; V50-I53 PolarHBondContact O-N 2.7Å; R51-I53 PolarHBondContact O-N 3.46Å; I53-E55 PolarHBondContact O-N 3.43Å; I53-P183 HydrophobicContact CG2-CG 4.46Å; I53-P183 WeakPolarHBondContact O-CD 3.37Å; I53-P183 WeakPolarHBondContact O-CG 3.33Å; I53-R232 PolarHBondContact O-NH1 2.94Å; I53-R232 PolarHBondContact O-NH2 2.9Å; I53-L234 HydrophobicContact CG2-CD1 3.91Å; I53-L234 HydrophobicContact CG2-CD2 4.16Å; I53-L234 HydrophobicContact CG2-CG 4.47Å; I53-P413 HydrophobicContact CD1-CG 4.13Å
54F92.4Very high92.4Very high11 Ų1155.1 Ų55.15%0.04826%0.261CS..Hα-helixtrans-90.48.1-170.8-67.3-83.9000115T31 I33 V50 R51 E52 F57 T58 L216 L217 L234T31-F54 HydrophobicContact CG2-CD1 4.43Å; I33-F54 HydrophobicContact CD1-CB 4.05Å; I33-F54 HydrophobicContact CD1-CD2 3.36Å; I33-F54 HydrophobicContact CD1-CE2 4.08Å; I33-F54 HydrophobicContact CD1-CG 3.94Å; V50-F54 HydrophobicContact CG1-CD2 4.45Å; V50-F54 HydrophobicContact CG1-CE2 4.32Å; V50-F54 WeakPolarHBondContact O-CD2 3.19Å; R51-F54 PolarHBondContact O-N 3.26Å; E52-F54 PolarHBondContact O-N 3.37Å; F54-F57 CarbonylContact O-C 3.58Å; F54-F57 PolarHBondContact O-N 3.16Å; F54-T58 HydrophobicContact CB-CG2 4.17Å; F54-T58 PolarHBondContact O-N 3.44Å; F54-L216 HydrophobicContact CE1-CB 4.01Å; F54-L216 HydrophobicContact CE1-CD1 3.71Å; F54-L216 HydrophobicContact CZ-CD1 3.67Å; F54-L217 HydrophobicContact CD1-CD2 3.93Å; F54-L217 HydrophobicContact CD1-CG 4.49Å; F54-L217 HydrophobicContact CE1-CD2 4.16Å; F54-L217 HydrophobicContact CE1-CG 4.27Å; F54-L234 HydrophobicContact CE1-CD2 4.13Å; F54-L234 HydrophobicContact CZ-CD2 3.77Å
55E90.1Very high92.3Very high43 Ų4353.4 Ų53.420%0.20126%0.259CS..THydrogen-bonded Turntrans-62.2148166.5-70-162.7166.700111.3R51 I53 T58 S60 Y179 R232R51-E55 PolarHBondContact O-N 2.86Å; R51-E55 VanDerWaalsContact O-N 3.17Å; I53-E55 PolarHBondContact O-N 3.43Å; E55-T58 HydrophobicContact CG-CG2 4.13Å; E55-S60 WeakPolarHBondContact OE1-CB 3.3Å; E55-S60 PolarHBondContact OE1-OG 3.46Å; E55-Y179 CarbonylContact C-O 3.58Å; E55-Y179 WeakPolarHBondContact OE2-CB 3.35Å; E55-R232 PolarHBondContact O-NH2 2.96Å
56P89.9Confident91.9Very high62 Ų6261 Ų6140%0.40329%0.285SS..THydrogen-bonded Turncis-83.2-2.2-0.835.1-37.2000114.6T58P56-T58 PolarHBondContact O-N 3.35Å; P56-T58 VanDerWaalsContact O-N 3.16Å
57F91.4Very high91.6Very high46 Ų4669.3 Ų69.320%0.20232%0.324CS..SBendtrans-8626.5-172.3-60-73.1000114.1T28 H30 T31 F54 P182 P218T28-F57 HydrophobicContact CG2-CE1 3.74Å; T28-F57 HydrophobicContact CG2-CZ 4.15Å; H30-F57 PolarHBondContact CD2-O 3.17Å; H30-F57 AromaticContact NE2-CD1 3.61Å; T31-F57 PolarHBondContact N-O 2.85Å; F54-F57 CarbonylContact O-C 3.58Å; F54-F57 PolarHBondContact O-N 3.16Å; F57-P182 HydrophobicContact CD2-CB 4.08Å; F57-P182 HydrophobicContact CE2-CB 3.89Å; F57-P182 HydrophobicContact CE2-CG 4.03Å; F57-P218 HydrophobicContact CD2-CG 3.78Å; F57-P218 HydrophobicContact CE1-CG 4.48Å; F57-P218 HydrophobicContact CE2-CG 3.56Å; F57-P218 HydrophobicContact CG-CG 4.34Å; F57-P218 HydrophobicContact CZ-CG 3.94Å
58T92.3Very high91.4Very high14 Ų1471.2 Ų71.29%0.08633%0.334CS..BIsolated β-bridgetrans-136.8158.7175.6-158.40000113.1T31 R51 F54 E55 P56 S60T31-T58 WeakPolarHBondContact O-CA 3.4Å; T31-T58 WeakPolarHBondContact O-CB 3.44Å; T31-T58 PolarHBondContact O-OG1 3.35Å; T31-T58 WeakPolarHBondContact OG1-CB 3.32Å; T31-T58 PolarHBondContact OG1-OG1 3.19Å; R51-T58 HydrophobicContact CB-CG2 4.08Å; R51-T58 WeakPolarHBondContact O-CG2 3.42Å; F54-T58 HydrophobicContact CB-CG2 4.17Å; F54-T58 PolarHBondContact O-N 3.44Å; E55-T58 HydrophobicContact CG-CG2 4.13Å; P56-T58 PolarHBondContact O-N 3.35Å; P56-T58 VanDerWaalsContact O-N 3.16Å; T58-S60 PolarHBondContact O-N 2.87Å; T58-S60 VanDerWaalsContact O-N 3.12Å
59A90Very high91.2Very high40 Ų4071.4 Ų71.433%0.33134%0.338SS..  trans-85.575.8-176.500000112.1M32 R61 L62M32-A59 HydrophobicContact CG-CB 4.38Å; A59-R61 PolarHBondContact O-N 3.19Å; A59-R61 VanDerWaalsContact O-N 3.1Å; A59-L62 HydrophobicContact CB-CB 3.95Å; A59-L62 WeakPolarHBondContact O-CB 3.31Å; A59-L62 PolarHBondContact O-N 3.09Å
60S87.5Confident91Very high52 Ų5272.4 Ų72.436%0.36434%0.343SS..THydrogen-bonded Turntrans-48.5-43.2-177.4-22.10000113.3R51 E55 T58 L62R51-S60 PolarHBondContact NH1-O 3.29Å; E55-S60 WeakPolarHBondContact OE1-CB 3.3Å; E55-S60 PolarHBondContact OE1-OG 3.46Å; T58-S60 PolarHBondContact O-N 2.87Å; T58-S60 VanDerWaalsContact O-N 3.12Å; S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 2.78Å
61R91.2Very high90.7Very high239 Ų23979.2 Ų79.290%0.90237%0.372SS*.THydrogen-bonded Turntrans-83.58.3-176.9-60.2-176.3-178.2179.50.4114.5A59 R63A59-R61 PolarHBondContact O-N 3.19Å; A59-R61 VanDerWaalsContact O-N 3.1Å; R61-R63 PolarHBondContact O-N 2.99Å; R61-R63 VanDerWaalsContact O-N 3.1Å
62L92.1Very high90.6Very high39 Ų3981.2 Ų81.220%0.20438%0.384CS..  trans-65.6107.6-179.1178.962.5000111.6M32 F34 R51 A59 S60 F73M32-L62 HydrophobicContact CB-CD2 4.23Å; M32-L62 HydrophobicContact CG-CD2 4.36Å; M32-L62 HydrophobicContact SD-CD2 4.24Å; F34-L62 HydrophobicContact CB-CD2 4.36Å; R51-L62 VanDerWaalsContact CZ-O 3.29Å; R51-L62 PolarHBondContact NH1-O 2.99Å; R51-L62 PolarHBondContact NH2-O 2.94Å; A59-L62 HydrophobicContact CB-CB 3.95Å; A59-L62 WeakPolarHBondContact O-CB 3.31Å; A59-L62 PolarHBondContact O-N 3.09Å; S60-L62 VanDerWaalsContact C-N 3.3Å; S60-L62 PolarHBondContact O-N 2.78Å; L62-F73 HydrophobicContact CD1-CE1 4.37Å; L62-F73 HydrophobicContact CD2-CE1 4.4Å
63R91.1Very high90.7Very high226 Ų22678.9 Ų78.985%0.85337%0.373SS*.PPolyproline II helixtrans-93.1129176.4-59.6-177.676.1-173.54.3110.4R61R61-R63 PolarHBondContact O-N 2.99Å; R61-R63 VanDerWaalsContact O-N 3.1Å
64V90.8Very high90.7Very high46 Ų4680.9 Ų80.928%0.27938%0.383SS..PPolyproline II helixtrans-99.9132.9175.2-177.30000109.3F34 N68 F73F34-V64 HydrophobicContact CB-CG2 3.79Å; F34-V64 HydrophobicContact CD2-CG2 4.4Å; F34-V64 HydrophobicContact CG-CG2 4.47Å; V64-N68 HydrophobicContact CG1-CB 4.48Å; V64-F73 HydrophobicContact CG1-CZ 4.16Å; V64-F73 HydrophobicContact CG2-CE1 4.45Å; V64-F73 HydrophobicContact CG2-CZ 4.05Å
65T91.5Very high90.7Very high70 Ų7084.5 Ų84.543%0.42941%0.407SS..PPolyproline II helixtrans-98.5168.9168.889.70000111Q67 N68T65-Q67 PolarHBondContact O-N 3.15Å; T65-Q67 PolarHBondContact OG1-N 2.79Å; T65-N68 VanDerWaalsContact CB-OD1 3.31Å; T65-N68 WeakPolarHBondContact CB-OD1 3.24Å; T65-N68 WeakPolarHBondContact CG2-OD1 3.36Å; T65-N68 PolarHBondContact N-OD1 3.37Å; T65-N68 PolarHBondContact OG1-OD1 3.29Å
66R87.2Confident90.8Very high227 Ų22786.2 Ų86.286%0.85742%0.416SS*.SBendtrans-71.1-9.3174-64.1179.772.9170.61.9114.1P37P37-R66 HydrophobicContact CB-CB 4.21Å; P37-R66 HydrophobicContact CB-CG 4.1Å
67Q89.3Confident90.9Very high175 Ų17583.2 Ų83.282%0.81840%0.397SS*.SBendtrans-91.5-26.7179.4-63.5173.2-11.200112.6T65 V69T65-Q67 PolarHBondContact O-N 3.15Å; T65-Q67 PolarHBondContact OG1-N 2.79Å; Q67-V69 PolarHBondContact O-N 2.75Å
68N90.9Very high90.9Very high43 Ų4383.3 Ų83.323%0.2341%0.41CS..  trans-61.8132.1-176.6-62.854.4000112.2V64 T65 D72 F73V64-N68 HydrophobicContact CG1-CB 4.48Å; T65-N68 VanDerWaalsContact CB-OD1 3.31Å; T65-N68 WeakPolarHBondContact CB-OD1 3.24Å; T65-N68 WeakPolarHBondContact CG2-OD1 3.36Å; T65-N68 PolarHBondContact N-OD1 3.37Å; T65-N68 PolarHBondContact OG1-OD1 3.29Å; N68-D72 WeakPolarHBondContact CA-OD2 3.49Å; N68-F73 HydrophobicContact CB-CE2 3.7Å; N68-F73 HydrophobicContact CB-CZ 3.91Å
69V89.8Confident90.8Very high82 Ų8287.7 Ų87.750%0.49744%0.439SS..  trans-104.6154.7174.9-173.10000109.5Q67 K71 D72 F73Q67-V69 PolarHBondContact O-N 2.75Å; V69-K71 HydrophobicContact CG1-CB 4.42Å; V69-K71 PolarHBondContact O-N 3.01Å; V69-K71 VanDerWaalsContact O-N 3.17Å; V69-D72 PolarHBondContact N-OD2 3.17Å; V69-D72 WeakPolarHBondContact O-CB 3.42Å; V69-D72 PolarHBondContact O-N 2.93Å; V69-F73 WeakPolarHBondContact O-CD2 3.14Å
70L89.8Confident90.8Very high25 Ų2589.8 Ų89.813%0.13144%0.444CS..Hα-helixtrans-54.5-34.4177179.360.3000112.7F34 D72 F73 I74 L85 Y87 N427F34-L70 HydrophobicContact CZ-CD1 3.91Å; L70-D72 PolarHBondContact O-N 3.41Å; L70-F73 PolarHBondContact O-N 3.28Å; L70-I74 HydrophobicContact CG-CD1 4.02Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 3.49Å; L70-L85 HydrophobicContact CD1-CD1 4.5Å; L70-Y87 HydrophobicContact CD1-CD1 3.9Å; L70-Y87 HydrophobicContact CD1-CE1 3.55Å; L70-Y87 HydrophobicContact CD2-CE1 3.93Å; L70-Y87 HydrophobicContact CG-CE1 4.4Å; L70-N427 WeakPolarHBondContact CD2-ND2 3.1Å
71K89.2Confident90.9Very high150 Ų15091 Ų9165%0.65245%0.447SS*.Hα-helixtrans-54.4-41.1175.5-169-173.1176.2-165.70112V69 F73 I74 T75V69-K71 HydrophobicContact CG1-CB 4.42Å; V69-K71 PolarHBondContact O-N 3.01Å; V69-K71 VanDerWaalsContact O-N 3.17Å; K71-F73 PolarHBondContact O-N 3.46Å; K71-I74 WeakPolarHBondContact O-CB 3.26Å; K71-I74 PolarHBondContact O-N 2.97Å; K71-T75 PolarHBondContact O-N 3.34Å; K71-T75 PolarHBondContact O-OG1 3.19Å
72D92.5Very high91Very high57 Ų5780.2 Ų80.231%0.30541%0.407SS..Hα-helixtrans-65.9-42-174.6-42.8-17.3000110.3N68 V69 L70 I74 T75 I76N68-D72 WeakPolarHBondContact CA-OD2 3.49Å; V69-D72 PolarHBondContact N-OD2 3.17Å; V69-D72 WeakPolarHBondContact O-CB 3.42Å; V69-D72 PolarHBondContact O-N 2.93Å; L70-D72 PolarHBondContact O-N 3.41Å; D72-I74 PolarHBondContact O-N 3.44Å; D72-T75 WeakPolarHBondContact CA-OG1 3.27Å; D72-T75 PolarHBondContact O-N 2.89Å; D72-T75 PolarHBondContact O-OG1 3.2Å; D72-I76 WeakPolarHBondContact O-CB 3.32Å; D72-I76 WeakPolarHBondContact O-CD1 3.26Å; D72-I76 VanDerWaalsContact O-CG1 3.24Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 3.5Å
73F93.2Very high91.1Very high5 Ų580.4 Ų80.42%0.02241%0.41CS..Hα-helixtrans-64.7-37.3174.9-64.1-81.8000112.4F34 L62 V64 N68 V69 L70 K71 I76 A77 L85F34-F73 HydrophobicContact CD1-CD1 4.26Å; F34-F73 HydrophobicContact CD1-CE1 4.44Å; F34-F73 HydrophobicContact CD2-CD2 4.48Å; F34-F73 HydrophobicContact CD2-CE1 4.36Å; F34-F73 HydrophobicContact CD2-CE2 4.11Å; F34-F73 HydrophobicContact CD2-CZ 4.06Å; F34-F73 HydrophobicContact CE1-CB 4.2Å; F34-F73 HydrophobicContact CE1-CD1 4.07Å; F34-F73 HydrophobicContact CE1-CD2 4.36Å; F34-F73 AromaticContact CE1-CG 3.95Å; F34-F73 HydrophobicContact CE1-CG 3.95Å; F34-F73 AromaticContact CE2-CD2 3.76Å; F34-F73 HydrophobicContact CE2-CD2 3.76Å; F34-F73 AromaticContact CE2-CE2 3.73Å; F34-F73 HydrophobicContact CE2-CE2 3.73Å; F34-F73 HydrophobicContact CE2-CG 4.18Å; F34-F73 HydrophobicContact CE2-CZ 4.13Å; F34-F73 HydrophobicContact CG-CE1 4.32Å; F34-F73 HydrophobicContact CG-CZ 4.45Å; F34-F73 HydrophobicContact CZ-CB 4.1Å; F34-F73 HydrophobicContact CZ-CD1 4.21Å; F34-F73 AromaticContact CZ-CD2 3.69Å; F34-F73 HydrophobicContact CZ-CD2 3.69Å; F34-F73 HydrophobicContact CZ-CE2 4.14Å; F34-F73 AromaticContact CZ-CG 3.73Å; F34-F73 HydrophobicContact CZ-CG 3.73Å; L62-F73 HydrophobicContact CD1-CE1 4.37Å; L62-F73 HydrophobicContact CD2-CE1 4.4Å; V64-F73 HydrophobicContact CG1-CZ 4.16Å; V64-F73 HydrophobicContact CG2-CE1 4.45Å; V64-F73 HydrophobicContact CG2-CZ 4.05Å; N68-F73 HydrophobicContact CB-CE2 3.7Å; N68-F73 HydrophobicContact CB-CZ 3.91Å; V69-F73 WeakPolarHBondContact O-CD2 3.14Å; L70-F73 PolarHBondContact O-N 3.28Å; K71-F73 PolarHBondContact O-N 3.46Å; F73-I76 PolarHBondContact O-N 2.66Å; F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.02Å; F73-L85 HydrophobicContact CB-CD1 4.46Å
74I92.7Very high91.2Very high47 Ų4769.8 Ų69.824%0.24137%0.37CS..Hα-helixtrans-65.9-43.1175.2-60.7158.2000110.4L70 K71 D72 I76 A77 L85 V426L70-I74 HydrophobicContact CG-CD1 4.02Å; L70-I74 WeakPolarHBondContact O-CG1 3.36Å; L70-I74 PolarHBondContact O-N 3.49Å; K71-I74 WeakPolarHBondContact O-CB 3.26Å; K71-I74 PolarHBondContact O-N 2.97Å; D72-I74 PolarHBondContact O-N 3.44Å; I74-I76 VanDerWaalsContact C-N 3.32Å; I74-I76 PolarHBondContact O-N 2.8Å; I74-A77 PolarHBondContact O-N 3.47Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; I74-V426 HydrophobicContact CD1-CB 4.49Å; I74-V426 HydrophobicContact CD1-CG1 3.48Å; I74-V426 VanDerWaalsContact CD1-CG1 3.48Å; I74-V426 HydrophobicContact CG1-CG1 4.29Å
75T92.2Very high91.4Very high87 Ų8767.6 Ų67.653%0.53436%0.357SS..Hα-helixtrans-67.3-30.8176.347.50000113.4K71 D72 P79K71-T75 PolarHBondContact O-N 3.34Å; K71-T75 PolarHBondContact O-OG1 3.19Å; D72-T75 WeakPolarHBondContact CA-OG1 3.27Å; D72-T75 PolarHBondContact O-N 2.89Å; D72-T75 PolarHBondContact O-OG1 3.2Å; T75-P79 WeakPolarHBondContact O-CD 3.44Å
76I92.4Very high91.6Very high78 Ų7864.6 Ų64.640%0.434%0.338SS..Hα-helixtrans-75.5-31175.3-72164.7000111.7M32 D72 F73 I74 G78 P79 L80M32-I76 HydrophobicContact CE-CG2 4.29Å; M32-I76 HydrophobicContact SD-CG2 4.48Å; D72-I76 WeakPolarHBondContact O-CB 3.32Å; D72-I76 WeakPolarHBondContact O-CD1 3.26Å; D72-I76 VanDerWaalsContact O-CG1 3.24Å; D72-I76 WeakPolarHBondContact O-CG1 3.47Å; D72-I76 PolarHBondContact O-N 3.5Å; F73-I76 PolarHBondContact O-N 2.66Å; I74-I76 VanDerWaalsContact C-N 3.32Å; I74-I76 PolarHBondContact O-N 2.8Å; I76-G78 PolarHBondContact O-N 3.13Å; I76-P79 WeakPolarHBondContact O-CD 3.43Å; I76-L80 HydrophobicContact CG2-CD1 3.58Å; I76-L80 HydrophobicContact CG2-CG 4.23Å; I76-L80 WeakPolarHBondContact O-CG 3.2Å; I76-L80 PolarHBondContact O-N 3.01Å
77A92.6Very high92Very high0 Ų054 Ų540%030%0.298CS..Hα-helixtrans-63.8-37.3-174.900000113.5M32 F73 I74 L80 N81 V82 L85 V147M32-A77 HydrophobicContact CE-CB 3.89Å; F73-A77 WeakPolarHBondContact O-CB 3.44Å; F73-A77 PolarHBondContact O-N 3.02Å; I74-A77 PolarHBondContact O-N 3.47Å; A77-L80 CarbonylContact O-C 3.59Å; A77-L80 PolarHBondContact O-N 3.06Å; A77-N81 PolarHBondContact O-N 3.05Å; A77-N81 VanDerWaalsContact O-N 3.11Å; A77-V82 HydrophobicContact CB-CB 3.88Å; A77-V82 HydrophobicContact CB-CG1 4.28Å; A77-V82 PolarHBondContact O-N 2.85Å; A77-L85 HydrophobicContact CB-CD2 4.4Å; A77-V147 HydrophobicContact CB-CG1 3.79Å
78G89.7Confident92.3Very high47 Ų4745.6 Ų45.649%0.48526%0.259SS..THydrogen-bonded Turntrans-58.7-60.2177.700000113.3I76 L80 N81I76-G78 PolarHBondContact O-N 3.13Å; G78-L80 PolarHBondContact O-N 3.31Å; G78-L80 VanDerWaalsContact O-N 3.13Å; G78-N81 PolarHBondContact O-N 3.2Å
79P90.9Very high92.3Very high107 Ų10744.6 Ų44.670%0.69526%0.255SS*.THydrogen-bonded Turntrans-61.3-16.5177.2-26.936.2000115.9T75 I76T75-P79 WeakPolarHBondContact O-CD 3.44Å; I76-P79 WeakPolarHBondContact O-CD 3.43Å
80L90.1Very high92.3Very high83 Ų8343.2 Ų43.244%0.43524%0.243SC..THydrogen-bonded Turntrans-101.54.2176.2-63.8-175.1000113.8M32 I76 A77 G78 V82M32-L80 HydrophobicContact SD-CD1 4.44Å; I76-L80 HydrophobicContact CG2-CD1 3.58Å; I76-L80 HydrophobicContact CG2-CG 4.23Å; I76-L80 WeakPolarHBondContact O-CG 3.2Å; I76-L80 PolarHBondContact O-N 3.01Å; A77-L80 CarbonylContact O-C 3.59Å; A77-L80 PolarHBondContact O-N 3.06Å; G78-L80 PolarHBondContact O-N 3.31Å; G78-L80 VanDerWaalsContact O-N 3.13Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å
81N90.5Very high91.9Very high79 Ų7943.7 Ų43.742%0.42225%0.247SC..THydrogen-bonded Turntrans52.834.3-174.7-65.6100.7000113.9A77 G78 T83A77-N81 PolarHBondContact O-N 3.05Å; A77-N81 VanDerWaalsContact O-N 3.11Å; G78-N81 PolarHBondContact O-N 3.2Å; N81-T83 PolarHBondContact O-N 3.16Å
82V93.1Very high91.1Very high11 Ų1139.1 Ų39.17%0.06723%0.23CC..EExtended strand (participates in β ladder)trans-79.9114.6178.9173.80000109.7H30 M32 A77 L80 H84 L85H30-V82 HydrophobicContact CB-CG2 4.28Å; M32-V82 HydrophobicContact CB-CG1 4.07Å; M32-V82 HydrophobicContact CE-CB 4.17Å; M32-V82 HydrophobicContact CE-CG1 4Å; M32-V82 HydrophobicContact CE-CG2 4.04Å; M32-V82 HydrophobicContact CG-CB 4.42Å; M32-V82 HydrophobicContact CG-CG1 3.84Å; M32-V82 HydrophobicContact CG-CG2 3.79Å; M32-V82 HydrophobicContact SD-CG2 4.11Å; A77-V82 HydrophobicContact CB-CB 3.88Å; A77-V82 HydrophobicContact CB-CG1 4.28Å; A77-V82 PolarHBondContact O-N 2.85Å; L80-V82 HydrophobicContact CB-CG2 3.82Å; L80-V82 PolarHBondContact O-N 3.32Å; V82-H84 VanDerWaalsContact CG1-O 3.32Å; V82-H84 WeakPolarHBondContact CG1-O 3.36Å; V82-L85 HydrophobicContact CG1-CD2 4.03Å
83T93Very high89.8Confident43 Ų4338 Ų3826%0.26422%0.224SC..EExtended strand (participates in β ladder)trans-78.2-32.5-178.354.10000113.7P29 H30 N81 V147P29-T83 WeakPolarHBondContact CA-OG1 3.25Å; P29-T83 HydrophobicContact CB-CG2 4.07Å; P29-T83 WeakPolarHBondContact CB-OG1 3.46Å; H30-T83 PolarHBondContact N-OG1 3.47Å; H30-T83 VanDerWaalsContact N-OG1 3.15Å; H30-T83 PolarHBondContact O-N 3.48Å; H30-T83 PolarHBondContact O-OG1 3.47Å; N81-T83 PolarHBondContact O-N 3.16Å; T83-V147 PolarHBondContact O-N 3.41Å
84H94.4Very high88.6Confident3 Ų342.8 Ų42.81%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-138140.2-173-61.991.4000112.5H30 T31 M32 V82 L86 I145 N215 L216H30-H84 PolarHBondContact O-N 2.97Å; H30-H84 VanDerWaalsContact O-N 3.16Å; T31-H84 CarbonylContact C-O 3.56Å; T31-H84 WeakPolarHBondContact CA-O 3.48Å; T31-H84 HydrophobicContact CG2-CB 4.36Å; M32-H84 PolarHBondContact N-O 3.1Å; V82-H84 VanDerWaalsContact CG1-O 3.32Å; V82-H84 WeakPolarHBondContact CG1-O 3.36Å; H84-L86 HydrophobicContact CB-CD1 4.4Å; H84-I145 CarbonylContact C-O 3.48Å; H84-I145 VanDerWaalsContact CA-O 3.3Å; H84-I145 WeakPolarHBondContact CA-O 3.41Å; H84-N215 PolarHBondContact CE1-O 3.34Å; H84-N215 PolarHBondContact ND1-O 3.39Å; H84-L216 HydrophobicContact CB-CD2 3.61Å
85L95Very high87.5Confident0 Ų046.1 Ų46.10%026%0.259CS..EExtended strand (participates in β ladder)trans-110.7125.1169.8-56.9-180000109M32 L70 F73 I74 A77 V82 I145 V147M32-L85 HydrophobicContact CB-CD2 3.82Å; M32-L85 HydrophobicContact CE-CD2 3.64Å; M32-L85 WeakPolarHBondContact O-CA 3.35Å; L70-L85 HydrophobicContact CD1-CD1 4.5Å; F73-L85 HydrophobicContact CB-CD1 4.46Å; I74-L85 HydrophobicContact CG1-CD1 3.87Å; A77-L85 HydrophobicContact CB-CD2 4.4Å; V82-L85 HydrophobicContact CG1-CD2 4.03Å; L85-I145 PolarHBondContact N-O 2.95Å; L85-I145 PolarHBondContact O-N 3.41Å; L85-V147 HydrophobicContact CD1-CG2 3.76Å; L85-V147 HydrophobicContact CG-CG2 3.64Å
86L95.5Very high86.3Confident8 Ų847.9 Ų47.94%0.04226%0.256CS..EExtended strand (participates in β ladder)trans-110.4131.5165.9-78.170.8000107.9M32 I33 F34 H84 L142 H143 M144 L216M32-L86 PolarHBondContact O-N 2.94Å; I33-L86 VanDerWaalsContact CA-O 3.29Å; I33-L86 WeakPolarHBondContact CA-O 3.47Å; I33-L86 HydrophobicContact CB-CB 4.48Å; I33-L86 HydrophobicContact CD1-CD2 4.37Å; I33-L86 HydrophobicContact CG1-CB 4.17Å; I33-L86 HydrophobicContact CG2-CB 4.15Å; F34-L86 PolarHBondContact N-O 3.38Å; H84-L86 HydrophobicContact CB-CD1 4.4Å; L86-L142 HydrophobicContact CB-CD1 4.39Å; L86-H143 CarbonylContact C-O 3.59Å; L86-H143 VanDerWaalsContact CA-O 3.31Å; L86-H143 WeakPolarHBondContact CA-O 3.31Å; L86-M144 HydrophobicContact CD1-CG 3.97Å; L86-M144 HydrophobicContact CD1-SD 4.34Å; L86-M144 HydrophobicContact CG-CB 4.3Å; L86-M144 HydrophobicContact CG-CG 4.11Å; L86-L216 HydrophobicContact CD1-CD1 4.45Å; L86-L216 HydrophobicContact CD1-CD2 3.78Å; L86-L216 HydrophobicContact CD2-CD1 4.47Å
87Y95.3Very high85.3Confident3 Ų348 Ų481%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-145.5144.7169.368.9-96.8000115.6F34 R36 L70 H143 I145 N427F34-Y87 HydrophobicContact CE1-CD1 4.2Å; F34-Y87 HydrophobicContact CE1-CG 4.46Å; F34-Y87 HydrophobicContact CE2-CD1 4.21Å; F34-Y87 AromaticContact CE2-CG 3.97Å; F34-Y87 HydrophobicContact CE2-CG 3.97Å; F34-Y87 AromaticContact CZ-CD1 3.71Å; F34-Y87 HydrophobicContact CZ-CD1 3.71Å; F34-Y87 AromaticContact CZ-CG 3.91Å; F34-Y87 HydrophobicContact CZ-CG 3.91Å; F34-Y87 CarbonylContact O-C 3.59Å; F34-Y87 WeakPolarHBondContact O-CA 3.46Å; F34-Y87 VanDerWaalsContact O-CB 3.32Å; F34-Y87 WeakPolarHBondContact O-CB 3.49Å; R36-Y87 HydrophobicContact CG-CD2 3.69Å; R36-Y87 HydrophobicContact CG-CE2 4.15Å; R36-Y87 HydrophobicContact CG-CG 4.41Å; L70-Y87 HydrophobicContact CD1-CD1 3.9Å; L70-Y87 HydrophobicContact CD1-CE1 3.55Å; L70-Y87 HydrophobicContact CD2-CE1 3.93Å; L70-Y87 HydrophobicContact CG-CE1 4.4Å; Y87-H143 HydrophobicContact CD1-CB 4.27Å; Y87-H143 HydrophobicContact CD2-CB 4.24Å; Y87-H143 AromaticContact CD2-CD2 3.93Å; Y87-H143 HydrophobicContact CE1-CB 3.79Å; Y87-H143 HydrophobicContact CE2-CB 3.74Å; Y87-H143 AromaticContact CE2-CD2 3.16Å; Y87-H143 WeakPolarHBondContact CE2-CD2 3.41Å; Y87-H143 AromaticContact CE2-CG 3.57Å; Y87-H143 AromaticContact CE2-NE2 3.93Å; Y87-H143 HydrophobicContact CG-CB 4.46Å; Y87-H143 VanDerWaalsContact CZ-CB 3.46Å; Y87-H143 AromaticContact CZ-CD2 3.61Å; Y87-H143 AromaticContact CZ-CG 3.5Å; Y87-H143 PolarHBondContact N-O 3.35Å; Y87-H143 PolarHBondContact O-N 3.11Å; Y87-H143 VanDerWaalsContact OH-CG 3.3Å; Y87-I145 HydrophobicContact CE1-CD1 3.81Å; Y87-N427 PolarHBondContact OH-ND2 2.85Å
88F95.4Very high84.7Confident0 Ų053.1 Ų53.10%028%0.279CS..EExtended strand (participates in β ladder)trans-85.8137170.7-64.8-82.4000111.1F34 R36 V43 L46 V50 V140 Y141 L142 V157F34-F88 PolarHBondContact O-N 3.42Å; R36-F88 PolarHBondContact N-O 2.93Å; V43-F88 HydrophobicContact CG1-CB 3.73Å; V43-F88 HydrophobicContact CG1-CD1 4.4Å; V43-F88 HydrophobicContact CG1-CG 4.12Å; L46-F88 HydrophobicContact CD2-CD1 4.46Å; L46-F88 HydrophobicContact CD2-CE1 3.77Å; L46-F88 HydrophobicContact CD2-CZ 3.92Å; L46-F88 HydrophobicContact CG-CE1 4.39Å; L46-F88 HydrophobicContact CG-CZ 4.04Å; V50-F88 HydrophobicContact CG2-CE2 4.4Å; V50-F88 HydrophobicContact CG2-CZ 4.21Å; F88-V140 HydrophobicContact CD1-CG1 3.89Å; F88-Y141 CarbonylContact C-O 3.56Å; F88-Y141 WeakPolarHBondContact CA-O 3.25Å; F88-L142 HydrophobicContact CD1-CB 4.25Å; F88-L142 HydrophobicContact CD1-CD1 4.21Å; F88-L142 HydrophobicContact CD2-CD1 4.49Å; F88-L142 HydrophobicContact CE1-CB 4.07Å; F88-L142 HydrophobicContact CE1-CD1 3.97Å; F88-L142 HydrophobicContact CE1-CD2 4.43Å; F88-L142 HydrophobicContact CE1-CG 4.37Å; F88-L142 HydrophobicContact CE2-CD1 4.25Å; F88-L142 HydrophobicContact CG-CD1 4.48Å; F88-L142 HydrophobicContact CZ-CD1 3.99Å; F88-V157 HydrophobicContact CD1-CG2 4.47Å; F88-V157 HydrophobicContact CE1-CG2 4.15Å
89T91.9Very high84.3Confident21 Ų2156.6 Ų56.613%0.12928%0.28CS..EExtended strand (participates in β ladder)trans-132.2157.2170-164.30000110.5Y141 H143T89-Y141 PolarHBondContact N-O 3.22Å; T89-Y141 PolarHBondContact O-N 2.91Å; T89-H143 VanDerWaalsContact CG2-NE2 3.29Å; T89-H143 WeakPolarHBondContact CG2-NE2 3.46Å
90H88.8Confident83.8Confident54 Ų5457.3 Ų57.325%0.2527%0.269CS..  trans-130126.2172-173.7-99.9000107.9V39 N92 G138 G139V39-H90 HydrophobicContact CG1-CB 3.98Å; H90-N92 PolarHBondContact ND1-OD1 3.45Å; H90-N92 PolarHBondContact O-N 2.89Å; H90-N92 VanDerWaalsContact O-N 3.1Å; H90-G138 PolarHBondContact NE2-O 3.39Å; H90-G139 PolarHBondContact CD2-O 3.39Å
91P82.6Confident83.6Confident34 Ų3455.9 Ų55.922%0.22127%0.27CS..  trans-75.297.8172.831.8-28.9000108.1D93 G139 Y141P91-D93 PolarHBondContact O-N 3.39Å; P91-G139 WeakPolarHBondContact CD-O 3.43Å; P91-Y141 HydrophobicContact CG-CD2 4.18Å; P91-Y141 HydrophobicContact CG-CE2 3.59Å
92N72.4Confident83.5Confident55 Ų5560.2 Ų60.229%0.29428%0.28SS..  trans-74.977.2167.9-67.3-34.1000108.3G38 H90 E94 K95 R96G38-N92 PolarHBondContact O-ND2 3.3Å; H90-N92 PolarHBondContact ND1-OD1 3.45Å; H90-N92 PolarHBondContact O-N 2.89Å; H90-N92 VanDerWaalsContact O-N 3.1Å; N92-E94 VanDerWaalsContact C-N 3.34Å; N92-E94 PolarHBondContact O-N 3.45Å; N92-K95 HydrophobicContact CB-CB 4.2Å; N92-K95 HydrophobicContact CB-CD 4.4Å; N92-K95 CarbonylContact O-C 3.59Å; N92-K95 PolarHBondContact O-N 3.21Å; N92-R96 PolarHBondContact O-N 3.31Å
93D64.9Low83.1Confident32 Ų3268.2 Ų68.217%0.17131%0.309CS..Hα-helixtrans-62.5-39.1-170.4-76.7-29.7000112.5P91 K95 R96 E97 S136P91-D93 PolarHBondContact O-N 3.39Å; D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 2.89Å; D93-R96 CarbonylContact O-C 3.53Å; D93-R96 WeakPolarHBondContact O-CA 3.5Å; D93-R96 VanDerWaalsContact O-CB 3.32Å; D93-R96 WeakPolarHBondContact O-CB 3.3Å; D93-R96 PolarHBondContact O-N 2.86Å; D93-R96 IonicContact OD1-CZ 2.75Å; D93-R96 IonicContact OD1-NE 3.94Å; D93-R96 PolarHBondContact OD1-NE 2.97Å; D93-R96 IonicContact OD1-NH1 3.27Å; D93-R96 PolarHBondContact OD1-NH1 3.11Å; D93-R96 IonicContact OD1-NH2 3.09Å; D93-R96 PolarHBondContact OD1-NH2 3.28Å; D93-R96 VanDerWaalsContact OD1-NH2 3.1Å; D93-R96 IonicContact OD2-NH2 3.78Å; D93-E97 WeakPolarHBondContact O-CB 3.25Å; D93-E97 PolarHBondContact O-N 3.15Å; D93-S136 PolarHBondContact OD2-OG 2.95Å
94E67.9Low82.9Confident107 Ų10772 Ų7250%0.533%0.327SS..Hα-helixtrans-45.7-50.2167.3179.9-124158.900112.2N92 E97 Q98N92-E94 VanDerWaalsContact C-N 3.34Å; N92-E94 PolarHBondContact O-N 3.45Å; E94-E97 PolarHBondContact O-N 3.49Å; E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 VanDerWaalsContact O-CG 3.23Å; E94-Q98 WeakPolarHBondContact O-CG 3.34Å; E94-Q98 PolarHBondContact O-N 3.26Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å
95K69.3Low82.6Confident116 Ų11674.6 Ų74.650%0.50435%0.349SS..Hα-helixtrans-79.2-18.7-180-65.6175.6173.765.60113.3N92 D93 K99N92-K95 HydrophobicContact CB-CB 4.2Å; N92-K95 HydrophobicContact CB-CD 4.4Å; N92-K95 CarbonylContact O-C 3.59Å; N92-K95 PolarHBondContact O-N 3.21Å; D93-K95 VanDerWaalsContact C-N 3.29Å; D93-K95 PolarHBondContact O-N 2.89Å; K95-K99 VanDerWaalsContact O-CB 3.28Å; K95-K99 WeakPolarHBondContact O-CB 3.3Å
96R66.7Low82.3Confident124 Ų12481.6 Ų81.647%0.46838%0.379SS..Hα-helixtrans-73.6-40.9168.4-172.6-179.472.4-165.5-0110.1N92 D93 K99 R100N92-R96 PolarHBondContact O-N 3.31Å; D93-R96 CarbonylContact O-C 3.53Å; D93-R96 WeakPolarHBondContact O-CA 3.5Å; D93-R96 VanDerWaalsContact O-CB 3.32Å; D93-R96 WeakPolarHBondContact O-CB 3.3Å; D93-R96 PolarHBondContact O-N 2.86Å; D93-R96 IonicContact OD1-CZ 2.75Å; D93-R96 IonicContact OD1-NE 3.94Å; D93-R96 PolarHBondContact OD1-NE 2.97Å; D93-R96 IonicContact OD1-NH1 3.27Å; D93-R96 PolarHBondContact OD1-NH1 3.11Å; D93-R96 IonicContact OD1-NH2 3.09Å; D93-R96 PolarHBondContact OD1-NH2 3.28Å; D93-R96 VanDerWaalsContact OD1-NH2 3.1Å; D93-R96 IonicContact OD2-NH2 3.78Å; R96-K99 CarbonylContact O-C 3.56Å; R96-K99 WeakPolarHBondContact O-CB 3.26Å; R96-K99 PolarHBondContact O-N 2.79Å; R96-R100 PolarHBondContact O-N 2.61Å
97E71.9Confident81.8Confident82 Ų8284 Ų8438%0.38340%0.4SS..Hα-helixtrans-79.7-43.7-174.2-149.551.4-112.600111.9D93 E94 K99 R100 A101D93-E97 WeakPolarHBondContact O-CB 3.25Å; D93-E97 PolarHBondContact O-N 3.15Å; E94-E97 PolarHBondContact O-N 3.49Å; E97-K99 PolarHBondContact O-N 3.42Å; E97-K99 VanDerWaalsContact O-N 3.08Å; E97-R100 VanDerWaalsContact CD-CD 3.45Å; E97-R100 CarbonylContact O-C 3.53Å; E97-R100 WeakPolarHBondContact O-CA 3.32Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 2.99Å; E97-R100 WeakPolarHBondContact OE1-CB 3.37Å; E97-R100 WeakPolarHBondContact OE1-CD 3.4Å; E97-R100 IonicContact OE1-NH1 2.89Å; E97-R100 WeakPolarHBondContact OE2-CD 3.45Å; E97-R100 IonicContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.7Å; E97-R100 IonicContact OE2-NH1 2.91Å; E97-R100 PolarHBondContact OE2-NH1 2.88Å; E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.09Å
98Q79.5Confident81.4Confident106 Ų10686.7 Ų86.750%0.49542%0.419SS..Hα-helixtrans-51.2-35.6165.5-71.7163.6-000112.1E94 R102E94-Q98 WeakPolarHBondContact O-CB 3.47Å; E94-Q98 VanDerWaalsContact O-CG 3.23Å; E94-Q98 WeakPolarHBondContact O-CG 3.34Å; E94-Q98 PolarHBondContact O-N 3.26Å; E94-Q98 PolarHBondContact OE1-NE2 3.35Å; Q98-R102 WeakPolarHBondContact O-CB 3.43Å; Q98-R102 PolarHBondContact O-N 2.97Å
99K81.5Confident80.8Confident120 Ų12089.1 Ų89.152%0.52244%0.44SS..Hα-helixtrans-79.7-23.9177.4-173.1176.2179.1179.50113.6K95 R96 E97 R103K95-K99 VanDerWaalsContact O-CB 3.28Å; K95-K99 WeakPolarHBondContact O-CB 3.3Å; R96-K99 CarbonylContact O-C 3.56Å; R96-K99 WeakPolarHBondContact O-CB 3.26Å; R96-K99 PolarHBondContact O-N 2.79Å; E97-K99 PolarHBondContact O-N 3.42Å; E97-K99 VanDerWaalsContact O-N 3.08Å; K99-R103 WeakPolarHBondContact O-CB 3.38Å; K99-R103 WeakPolarHBondContact O-CD 3.34Å; K99-R103 VanDerWaalsContact O-CG 3.28Å; K99-R103 WeakPolarHBondContact O-CG 3.49Å; K99-R103 PolarHBondContact O-N 2.8Å
100R80.9Confident80.2Confident122 Ų12294.6 Ų94.646%0.4646%0.461SS..Hα-helixtrans-77.5-52.5169.8-81.9169.6162.4-178.9-12.5110.6R96 E97 R102 R103 L104R96-R100 PolarHBondContact O-N 2.61Å; E97-R100 VanDerWaalsContact CD-CD 3.45Å; E97-R100 CarbonylContact O-C 3.53Å; E97-R100 WeakPolarHBondContact O-CA 3.32Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 2.99Å; E97-R100 WeakPolarHBondContact OE1-CB 3.37Å; E97-R100 WeakPolarHBondContact OE1-CD 3.4Å; E97-R100 IonicContact OE1-NH1 2.89Å; E97-R100 WeakPolarHBondContact OE2-CD 3.45Å; E97-R100 IonicContact OE2-CZ 3.27Å; E97-R100 IonicContact OE2-NE 2.7Å; E97-R100 IonicContact OE2-NH1 2.91Å; E97-R100 PolarHBondContact OE2-NH1 2.88Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.85Å; R100-R103 CarbonylContact O-C 3.58Å; R100-R103 WeakPolarHBondContact O-CA 3.25Å; R100-R103 VanDerWaalsContact O-CB 3.3Å; R100-R103 WeakPolarHBondContact O-CB 3.48Å; R100-R103 PolarHBondContact O-N 3.07Å; R100-L104 WeakPolarHBondContact O-CG 3.48Å; R100-L104 PolarHBondContact O-N 2.86Å
101A85.4Confident79.3Confident54 Ų5497.6 Ų97.645%0.44648%0.475SS..Hα-helixtrans-50.8-50.1173.400000111.7E97 R103 L104 A105E97-A101 WeakPolarHBondContact O-CB 3.44Å; E97-A101 PolarHBondContact O-N 3.09Å; A101-R103 PolarHBondContact O-N 3.27Å; A101-L104 PolarHBondContact O-N 2.88Å; A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 2.97Å
102R87.8Confident78.6Confident170 Ų170101.1 Ų101.164%0.64249%0.492SS*.Hα-helixtrans-68.4-11.6175.6-161.4-17668.9172.30114.5Q98 R100 K106Q98-R102 WeakPolarHBondContact O-CB 3.43Å; Q98-R102 PolarHBondContact O-N 2.97Å; R100-R102 VanDerWaalsContact C-N 3.33Å; R100-R102 PolarHBondContact O-N 2.85Å; R102-K106 WeakPolarHBondContact O-CB 3.44Å; R102-K106 VanDerWaalsContact O-CG 3.3Å; R102-K106 WeakPolarHBondContact O-CG 3.16Å
103R85.9Confident78.3Confident179 Ų179106.4 Ų106.468%0.67551%0.512SS*.Hα-helixtrans-88.8-43.6169.6-86.2174161.7-165.4-8.2111.2K99 R100 A101 K106 A107K99-R103 WeakPolarHBondContact O-CB 3.38Å; K99-R103 WeakPolarHBondContact O-CD 3.34Å; K99-R103 VanDerWaalsContact O-CG 3.28Å; K99-R103 WeakPolarHBondContact O-CG 3.49Å; K99-R103 PolarHBondContact O-N 2.8Å; R100-R103 CarbonylContact O-C 3.58Å; R100-R103 WeakPolarHBondContact O-CA 3.25Å; R100-R103 VanDerWaalsContact O-CB 3.3Å; R100-R103 WeakPolarHBondContact O-CB 3.48Å; R100-R103 PolarHBondContact O-N 3.07Å; A101-R103 PolarHBondContact O-N 3.27Å; R103-K106 CarbonylContact O-C 3.57Å; R103-K106 WeakPolarHBondContact O-CA 3.4Å; R103-K106 PolarHBondContact O-N 3.06Å; R103-K106 VanDerWaalsContact O-N 3.1Å; R103-A107 PolarHBondContact O-N 2.74Å
104L88.4Confident78.1Confident123 Ų123110.5 Ų110.564%0.64453%0.534SS*.Hα-helixtrans-60.3-50174.8-65.6170.5000110.4R100 A101 K106 A107 S108R100-L104 WeakPolarHBondContact O-CG 3.48Å; R100-L104 PolarHBondContact O-N 2.86Å; A101-L104 PolarHBondContact O-N 2.88Å; L104-K106 PolarHBondContact O-N 3.03Å; L104-K106 VanDerWaalsContact O-N 3.11Å; L104-A107 WeakPolarHBondContact O-CA 3.24Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.16Å; L104-S108 PolarHBondContact O-N 3.07Å; L104-S108 PolarHBondContact O-OG 2.81Å
105A87.6Confident77.8Confident56 Ų56110.5 Ų110.546%0.46353%0.534SS..Hα-helixtrans-60.1-22.3173.600000114A101 S108 A109A101-A105 WeakPolarHBondContact O-CB 3.5Å; A101-A105 PolarHBondContact O-N 2.97Å; A105-S108 WeakPolarHBondContact CA-OG 3.43Å; A105-S108 PolarHBondContact O-OG 2.96Å; A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 2.96Å
106K88.5Confident77.1Confident148 Ų148111.3 Ų111.364%0.64354%0.544SS*.Hα-helixtrans-91.7-10.7172.9-78.6-168.6174.8-148.60114.1R102 R103 L104R102-K106 WeakPolarHBondContact O-CB 3.44Å; R102-K106 VanDerWaalsContact O-CG 3.3Å; R102-K106 WeakPolarHBondContact O-CG 3.16Å; R103-K106 CarbonylContact O-C 3.57Å; R103-K106 WeakPolarHBondContact O-CA 3.4Å; R103-K106 PolarHBondContact O-N 3.06Å; R103-K106 VanDerWaalsContact O-N 3.1Å; L104-K106 PolarHBondContact O-N 3.03Å; L104-K106 VanDerWaalsContact O-N 3.11Å
107A85.8Confident76.3Confident57 Ų57114 Ų11447%0.47156%0.562SS.*Hα-helixtrans-88.8-46.5170.600000109.9R103 L104 K110 H111R103-A107 PolarHBondContact O-N 2.74Å; L104-A107 WeakPolarHBondContact O-CA 3.24Å; L104-A107 WeakPolarHBondContact O-CB 3.36Å; L104-A107 PolarHBondContact O-N 3.16Å; A107-K110 WeakPolarHBondContact O-CB 3.49Å; A107-K110 PolarHBondContact O-N 2.99Å; A107-H111 PolarHBondContact O-N 3.01Å
108S86.2Confident75.1Confident61 Ų61115.4 Ų115.443%0.42758%0.576SS.*Hα-helixtrans-62.2-44.2172.957.20000111.9L104 A105 K110 H111 L112L104-S108 PolarHBondContact O-N 3.07Å; L104-S108 PolarHBondContact O-OG 2.81Å; A105-S108 WeakPolarHBondContact CA-OG 3.43Å; A105-S108 PolarHBondContact O-OG 2.96Å; S108-K110 PolarHBondContact O-N 2.82Å; S108-K110 VanDerWaalsContact O-N 3.09Å; S108-H111 PolarHBondContact O-N 2.9Å; S108-H111 VanDerWaalsContact O-N 3.16Å; S108-L112 WeakPolarHBondContact O-CB 3.34Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; S108-L112 PolarHBondContact O-N 2.81Å
109A83.1Confident73.5Confident51 Ų51116.2 Ų116.242%0.42159%0.588SS.*Hα-helixtrans-72.65.4173.400000115A105A105-A109 WeakPolarHBondContact O-CB 3.29Å; A105-A109 PolarHBondContact O-N 2.96Å
110K78.9Confident71.3Confident135 Ų135119.1 Ų119.159%0.58760%0.603SS**Hα-helixtrans-97.2-51.2161.4-91.3175139.6-75.40109.9A107 S108 L112 K113 D114A107-K110 WeakPolarHBondContact O-CB 3.49Å; A107-K110 PolarHBondContact O-N 2.99Å; S108-K110 PolarHBondContact O-N 2.82Å; S108-K110 VanDerWaalsContact O-N 3.09Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.15Å; K110-K113 WeakPolarHBondContact O-CA 3.37Å; K110-K113 WeakPolarHBondContact O-CB 3.42Å; K110-K113 PolarHBondContact O-N 3.02Å; K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 3.41Å; K110-D114 VanDerWaalsContact O-OD2 3.13Å
111H69.8Low69.7Low117 Ų117121 Ų12154%0.54262%0.618SS.*Hα-helixtrans-50.3-50.5174.9-146.8-56.6000111.3A107 S108 K113 D114 E115A107-H111 PolarHBondContact O-N 3.01Å; S108-H111 PolarHBondContact O-N 2.9Å; S108-H111 VanDerWaalsContact O-N 3.16Å; H111-K113 PolarHBondContact O-N 2.86Å; H111-D114 PolarHBondContact O-N 2.96Å; H111-E115 IonicContact CE1-OE1 3.56Å; H111-E115 PolarHBondContact CE1-OE1 3.45Å; H111-E115 VanDerWaalsContact ND1-CG 3.3Å; H111-E115 WeakPolarHBondContact ND1-CG 3.45Å; H111-E115 IonicContact ND1-OE1 2.81Å; H111-E115 PolarHBondContact ND1-OE1 3.3Å; H111-E115 VanDerWaalsContact O-CG 3.26Å; H111-E115 WeakPolarHBondContact O-CG 3.43Å; H111-E115 PolarHBondContact O-N 3.48Å
112L69Low67.7Low109 Ų109124.7 Ų124.757%0.57163%0.63SS**Hα-helixtrans-64.7-2.6175.6-66.8168.3000115.3S108 K110 N116S108-L112 WeakPolarHBondContact O-CB 3.34Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; S108-L112 PolarHBondContact O-N 2.81Å; K110-L112 VanDerWaalsContact C-N 3.3Å; K110-L112 PolarHBondContact O-N 3.15Å; L112-N116 WeakPolarHBondContact O-CB 3.43Å; L112-N116 PolarHBondContact O-OD1 3.21Å; L112-N116 VanDerWaalsContact O-OD1 3.12Å
113K65.5Low65.5Low165 Ų165122.4 Ų122.472%0.71764%0.635SS**Hα-helixtrans-104.9-25.9169.5-71-168169.6-151.40112.8K110 H111K110-K113 WeakPolarHBondContact O-CA 3.37Å; K110-K113 WeakPolarHBondContact O-CB 3.42Å; K110-K113 PolarHBondContact O-N 3.02Å; H111-K113 PolarHBondContact O-N 2.86Å
114D61.1Low63.1Low119 Ų119119.4 Ų119.464%0.63664%0.637SS**Hα-helixtrans-82.7-33.2176.6-53.8-37000109.7K110 H111K110-D114 VanDerWaalsContact O-CG 3.31Å; K110-D114 PolarHBondContact O-N 3.41Å; K110-D114 VanDerWaalsContact O-OD2 3.13Å; H111-D114 PolarHBondContact O-N 2.96Å
115E60.2Low60.5Low107 Ų107119.5 Ų119.550%0.564%0.642SS.*SBendtrans-74.4-28.3173.7-63.5-67.5127.700114.2H111 H117 T118H111-E115 IonicContact CE1-OE1 3.56Å; H111-E115 PolarHBondContact CE1-OE1 3.45Å; H111-E115 VanDerWaalsContact ND1-CG 3.3Å; H111-E115 WeakPolarHBondContact ND1-CG 3.45Å; H111-E115 IonicContact ND1-OE1 2.81Å; H111-E115 PolarHBondContact ND1-OE1 3.3Å; H111-E115 VanDerWaalsContact O-CG 3.26Å; H111-E115 WeakPolarHBondContact O-CG 3.43Å; H111-E115 PolarHBondContact O-N 3.48Å; E115-H117 PolarHBondContact O-N 2.93Å; E115-T118 PolarHBondContact O-N 3.37Å
116N54.9Low57.9Low133 Ų133123.6 Ų123.671%0.71166%0.661SS**THydrogen-bonded Turntrans-68.618.6-169.6-102.434000115.2L112L112-N116 WeakPolarHBondContact O-CB 3.43Å; L112-N116 PolarHBondContact O-OD1 3.21Å; L112-N116 VanDerWaalsContact O-OD1 3.12Å
117H50.5Low55.3Low181 Ų181125.3 Ų125.384%0.83867%0.672SS**THydrogen-bonded Turntrans-109.9-5.1171.6-128-57.6000113.8E115E115-H117 PolarHBondContact O-N 2.93Å
118T47.2Very low52.7Low110 Ų110126 Ų12668%0.67569%0.685SS**SBendtrans-135.7116.3-177.4-53.70000111.6E115E115-T118 PolarHBondContact O-N 3.37Å
119T44.9Very low50.5Low123 Ų123128.9 Ų128.976%0.75570%0.699SS**  trans57.5104.3160.8-50.70000118.4
120E36Very low48Very low181 Ų181132.8 Ų132.885%0.84672%0.718SS**  trans-66.8124.9153.8-56.6176.6143.900110
121Q47.3Very low46.2Very low163 Ų163133.1 Ų133.176%0.76273%0.726SS**  trans-178.3130.4137.5-101.3155.29200115.8
122N42.3Very low44.4Very low131 Ų131136 Ų13670%0.70174%0.74SS**  trans74.4149.1137.7-61.3-15.3000124.3
123T41.9Very low43Very low121 Ų121136.1 Ų136.174%0.74275%0.749SS**  trans75.786.8152.430.80000121.3
124T36.4Very low41.8Very low117 Ų117133.3 Ų133.372%0.71875%0.751SS**  57.6117.9118.255.10000122.4
125V33.5Very low40.7Very low124 Ų124132.3 Ų132.375%0.75275%0.753SS**  46.5108126.3-170.40000118.8
126T33.3Very low40Very low142 Ų142131.1 Ų131.187%0.87176%0.757SS**  trans-138.1130.3137.4-39.90000109.2
127Q33.4Very low40Very low185 Ų185131.7 Ų131.786%0.86476%0.755SS**  trans-79.4136.9172.7-65.5172.4-9.100109.5
128G30.9Very low40.8Very low72 Ų72125.5 Ų125.574%0.74274%0.74SS**  trans-137.489.8-166.500000115
129V39.4Very low42.5Very low120 Ų120120.7 Ų120.773%0.72771%0.712SS**  trans55.5104.3159.3-167.70000117N131V129-N131 PolarHBondContact O-N 3.19Å
130T30.7Very low44.8Very low133 Ų133115.6 Ų115.682%0.81668%0.68SS**  trans-63.4100.615543.40000109.6E132T130-E132 PolarHBondContact O-N 3.49Å
131N41.1Very low47.6Very low143 Ų143109.9 Ų109.977%0.76565%0.652SS**  trans-67.1101.7172.3-84.8-36.1000110.1V129 S133V129-N131 PolarHBondContact O-N 3.19Å; N131-S133 PolarHBondContact O-N 3.29Å
132E33.5Very low49.9Very low178 Ų178102.7 Ų102.783%0.83262%0.619SS**  trans-42.9100.1160.3-82.6-67.7123.200109.6T130 S134T130-E132 PolarHBondContact O-N 3.49Å; E132-S134 PolarHBondContact O-N 3.01Å
133S38.5Very low52.4Low110 Ų11097.5 Ų97.577%0.76959%0.59SS**  trans-7976.7-176.4640000109.7N131 S135N131-S133 PolarHBondContact O-N 3.29Å; S133-S135 PolarHBondContact O-N 3.22Å
134S40.3Very low55Low107 Ų10791.9 Ų91.975%0.74856%0.555SS**  trans-38.7127.6168.655.60000109.3E132 S136E132-S134 PolarHBondContact O-N 3.01Å; S134-S136 PolarHBondContact O-N 3.48Å
135S38.9Very low57.8Low97 Ų9786.3 Ų86.368%0.67852%0.521SS*.  trans-71.572.5-156.1450000112.6S133 H137S133-S135 PolarHBondContact O-N 3.22Å; S135-H137 PolarHBondContact O-N 3.17Å; S135-H137 PolarHBondContact O-ND1 3.37Å
136S45.5Very low60.6Low83 Ų8384.3 Ų84.358%0.5850%0.5SS*.  trans-51.6100.1-162.8-168.70000111.1D93 S134 G138D93-S136 PolarHBondContact OD2-OG 2.95Å; S134-S136 PolarHBondContact O-N 3.48Å; S136-G138 PolarHBondContact O-N 3.03Å
137H54.4Low63.4Low145 Ų14578.6 Ų78.667%0.67147%0.465SS*.  trans-60.4107.4-165.2-64.2-58.6000110.9S135 G139S135-H137 PolarHBondContact O-N 3.17Å; S135-H137 PolarHBondContact O-ND1 3.37Å; H137-G139 VanDerWaalsContact C-N 3.26Å; H137-G139 PolarHBondContact O-N 3.05Å
138G67.3Low65.9Low51 Ų5173.7 Ų73.753%0.52645%0.449SS..  trans-63.779.7-178.200000112.5H90 S136H90-G138 PolarHBondContact NE2-O 3.39Å; S136-G138 PolarHBondContact O-N 3.03Å
139G82.9Confident68.5Low8 Ų878 Ų788%0.08245%0.449CS..  trans-80.8148.5-17700000112.9H90 P91 H137 Y141H90-G139 PolarHBondContact CD2-O 3.39Å; P91-G139 WeakPolarHBondContact CD-O 3.43Å; H137-G139 VanDerWaalsContact C-N 3.26Å; H137-G139 PolarHBondContact O-N 3.05Å; G139-Y141 WeakPolarHBondContact O-CD2 3.42Å; G139-Y141 VanDerWaalsContact O-CE2 3.25Å; G139-Y141 WeakPolarHBondContact O-CE2 3.15Å
140V92.7Very high70.6Confident16 Ų1672.7 Ų72.710%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-88133162.9-179.50000107.9V43 F88 V157V43-V140 HydrophobicContact CG1-CG1 3.87Å; V43-V140 HydrophobicContact CG2-CG1 4.22Å; V43-V140 HydrophobicContact CG2-CG2 3.59Å; F88-V140 HydrophobicContact CD1-CG1 3.89Å; V140-V157 HydrophobicContact CB-CB 4.12Å; V140-V157 HydrophobicContact CB-CG2 4.28Å; V140-V157 HydrophobicContact CG1-CB 4.37Å; V140-V157 HydrophobicContact CG1-CG2 3.99Å; V140-V157 WeakPolarHBondContact O-CB 3.33Å; V140-V157 PolarHBondContact O-N 2.92Å
141Y95Very high73.6Confident62 Ų6267.8 Ų67.824%0.24339%0.39CS..EExtended strand (participates in β ladder)trans-119.4129.7-178.3-63.3-112.1000109F88 T89 P91 G139 T154 F155 I420F88-Y141 CarbonylContact C-O 3.56Å; F88-Y141 WeakPolarHBondContact CA-O 3.25Å; T89-Y141 PolarHBondContact N-O 3.22Å; T89-Y141 PolarHBondContact O-N 2.91Å; P91-Y141 HydrophobicContact CG-CD2 4.18Å; P91-Y141 HydrophobicContact CG-CE2 3.59Å; G139-Y141 WeakPolarHBondContact O-CD2 3.42Å; G139-Y141 VanDerWaalsContact O-CE2 3.25Å; G139-Y141 WeakPolarHBondContact O-CE2 3.15Å; Y141-T154 HydrophobicContact CD1-CG2 4.19Å; Y141-F155 CarbonylContact C-O 3.53Å; Y141-F155 VanDerWaalsContact CA-O 3.3Å; Y141-F155 WeakPolarHBondContact CA-O 3.46Å; Y141-I420 HydrophobicContact CD1-CD1 3.49Å; Y141-I420 VanDerWaalsContact CD1-CD1 3.49Å; Y141-I420 HydrophobicContact CE1-CD1 3.34Å
142L95.6Very high76.1Confident12 Ų1261 Ų616%0.06335%0.354CS..EExtended strand (participates in β ladder)trans-100.8121.8173174.959.8000108.6L86 F88 F155 V157 L417L86-L142 HydrophobicContact CB-CD1 4.39Å; F88-L142 HydrophobicContact CD1-CB 4.25Å; F88-L142 HydrophobicContact CD1-CD1 4.21Å; F88-L142 HydrophobicContact CD2-CD1 4.49Å; F88-L142 HydrophobicContact CE1-CB 4.07Å; F88-L142 HydrophobicContact CE1-CD1 3.97Å; F88-L142 HydrophobicContact CE1-CD2 4.43Å; F88-L142 HydrophobicContact CE1-CG 4.37Å; F88-L142 HydrophobicContact CE2-CD1 4.25Å; F88-L142 HydrophobicContact CG-CD1 4.48Å; F88-L142 HydrophobicContact CZ-CD1 3.99Å; L142-F155 PolarHBondContact N-O 3.28Å; L142-F155 PolarHBondContact O-N 3.27Å; L142-V157 HydrophobicContact CB-CG2 4.28Å; L142-L417 HydrophobicContact CB-CD2 4.39Å; L142-L417 HydrophobicContact CD2-CD1 3.91Å; L142-L417 HydrophobicContact CD2-CD2 4.16Å
143H95.3Very high79.1Confident22 Ų2252.5 Ų52.510%0.10231%0.314CS..EExtended strand (participates in β ladder)trans-100.6137.6169.2-62.9-95000109.8L86 Y87 T89 L153 T154L86-H143 CarbonylContact C-O 3.59Å; L86-H143 VanDerWaalsContact CA-O 3.31Å; L86-H143 WeakPolarHBondContact CA-O 3.31Å; Y87-H143 HydrophobicContact CD1-CB 4.27Å; Y87-H143 HydrophobicContact CD2-CB 4.24Å; Y87-H143 AromaticContact CD2-CD2 3.93Å; Y87-H143 HydrophobicContact CE1-CB 3.79Å; Y87-H143 HydrophobicContact CE2-CB 3.74Å; Y87-H143 AromaticContact CE2-CD2 3.16Å; Y87-H143 WeakPolarHBondContact CE2-CD2 3.41Å; Y87-H143 AromaticContact CE2-CG 3.57Å; Y87-H143 AromaticContact CE2-NE2 3.93Å; Y87-H143 HydrophobicContact CG-CB 4.46Å; Y87-H143 VanDerWaalsContact CZ-CB 3.46Å; Y87-H143 AromaticContact CZ-CD2 3.61Å; Y87-H143 AromaticContact CZ-CG 3.5Å; Y87-H143 PolarHBondContact N-O 3.35Å; Y87-H143 PolarHBondContact O-N 3.11Å; Y87-H143 VanDerWaalsContact OH-CG 3.3Å; T89-H143 VanDerWaalsContact CG2-NE2 3.29Å; T89-H143 WeakPolarHBondContact CG2-NE2 3.46Å; H143-L153 WeakPolarHBondContact CA-O 3.5Å; H143-T154 PolarHBondContact CE1-OG1 3.07Å; H143-T154 PolarHBondContact ND1-OG1 3.37Å; H143-T154 VanDerWaalsContact ND1-OG1 3.09Å
144M95.6Very high81.8Confident3 Ų347.5 Ų47.52%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-125.6123.1171.9179.916864.800108.7L86 S152 L153 F155 M212 F213 L216L86-M144 HydrophobicContact CD1-CG 3.97Å; L86-M144 HydrophobicContact CD1-SD 4.34Å; L86-M144 HydrophobicContact CG-CB 4.3Å; L86-M144 HydrophobicContact CG-CG 4.11Å; M144-S152 WeakPolarHBondContact O-CA 3.5Å; M144-L153 HydrophobicContact CE-CD1 3.61Å; M144-L153 HydrophobicContact CE-CG 4.48Å; M144-L153 PolarHBondContact N-O 3.31Å; M144-L153 PolarHBondContact O-N 2.79Å; M144-F155 HydrophobicContact CB-CE2 4.49Å; M144-F155 HydrophobicContact CE-CE2 4.28Å; M144-M212 HydrophobicContact CE-CB 3.71Å; M144-M212 HydrophobicContact CG-CE 4.03Å; M144-F213 HydrophobicContact CE-CD1 4.39Å; M144-F213 HydrophobicContact CE-CD2 4.31Å; M144-F213 HydrophobicContact CE-CE1 4.28Å; M144-F213 HydrophobicContact CE-CE2 4.2Å; M144-F213 HydrophobicContact CE-CG 4.39Å; M144-F213 HydrophobicContact CE-CZ 4.18Å; M144-F213 HydrophobicContact SD-CE1 4.46Å; M144-L216 HydrophobicContact CG-CD2 4.45Å; M144-L216 HydrophobicContact SD-CD1 3.73Å; M144-L216 HydrophobicContact SD-CD2 3.83Å; M144-L216 HydrophobicContact SD-CG 3.99Å
145I95.2Very high84.4Confident0 Ų042.5 Ų42.50%024%0.244CC..EExtended strand (participates in β ladder)trans-132.9131-170.3-46.2-168.7000110.1H84 L85 Y87 P151 S152 V426 N427H84-I145 CarbonylContact C-O 3.48Å; H84-I145 VanDerWaalsContact CA-O 3.3Å; H84-I145 WeakPolarHBondContact CA-O 3.41Å; L85-I145 PolarHBondContact N-O 2.95Å; L85-I145 PolarHBondContact O-N 3.41Å; Y87-I145 HydrophobicContact CE1-CD1 3.81Å; I145-P151 WeakPolarHBondContact CA-O 3.47Å; I145-S152 WeakPolarHBondContact CG1-OG 3.3Å; I145-V426 HydrophobicContact CD1-CG1 4.08Å; I145-V426 HydrophobicContact CG2-CB 4.45Å; I145-V426 HydrophobicContact CG2-CG1 4.08Å; I145-V426 HydrophobicContact CG2-CG2 4.08Å; I145-N427 WeakPolarHBondContact CD1-ND2 3.33Å
146R93.9Very high87Confident81 Ų8142.3 Ų42.331%0.30623%0.228SC..EExtended strand (participates in β ladder)trans-84.3132.4168.6-176.4-179.6-161.31306109.9G150 P151 D211 M212 N215R146-G150 WeakPolarHBondContact CB-O 3.49Å; R146-G150 WeakPolarHBondContact O-CA 3.36Å; R146-G150 PolarHBondContact O-N 3.39Å; R146-P151 PolarHBondContact N-O 2.95Å; R146-D211 IonicContact NH1-OD2 2.69Å; R146-D211 PolarHBondContact NH1-OD2 2.86Å; R146-M212 HydrophobicContact CB-CE 4.07Å; R146-N215 PolarHBondContact NH1-ND2 3.16Å
147V92.2Very high89.3Confident22 Ų2238.6 Ų38.613%0.13320%0.202CC..THydrogen-bonded Turntrans-106.4141.7-177168.10000109.5A77 T83 L85A77-V147 HydrophobicContact CB-CG1 3.79Å; T83-V147 PolarHBondContact O-N 3.41Å; L85-V147 HydrophobicContact CD1-CG2 3.76Å; L85-V147 HydrophobicContact CG-CG2 3.64Å
148P85.7Confident91.1Very high83 Ų8334 Ų3454%0.53919%0.189SC..THydrogen-bonded Turncis-92.2-13.75.934-34.3000116.3
149H83.9Confident92.4Very high161 Ų16137.9 Ų37.975%0.74519%0.194SC*.THydrogen-bonded Turntrans-107.28.7-164-59.6-44.2000115.8G425H149-G425 WeakPolarHBondContact O-CA 3.44Å
150G84Confident92.9Very high10 Ų1041.4 Ų41.410%0.10321%0.205CC..  trans81.1-170.6-168.200000112.3R146 G425R146-G150 WeakPolarHBondContact CB-O 3.49Å; R146-G150 WeakPolarHBondContact O-CA 3.36Å; R146-G150 PolarHBondContact O-N 3.39Å; G150-G425 VanDerWaalsContact CA-O 3.25Å; G150-G425 WeakPolarHBondContact CA-O 3.4Å
151P93.5Very high93.1Very high30 Ų3042 Ų4220%0.19521%0.21CC..  cis-72173.23.128.9-35000114.3I145 R146 M212I145-P151 WeakPolarHBondContact CA-O 3.47Å; R146-P151 PolarHBondContact N-O 2.95Å; P151-M212 HydrophobicContact CG-SD 3.8Å
152S94.6Very high93.1Very high0 Ų039.2 Ų39.20%020%0.199CC..EExtended strand (participates in β ladder)trans-121.6127174.3-177.90000111.1M144 I145 E423 N427M144-S152 WeakPolarHBondContact O-CA 3.5Å; I145-S152 WeakPolarHBondContact CG1-OG 3.3Å; S152-E423 PolarHBondContact N-O 2.96Å; S152-E423 PolarHBondContact O-N 3.27Å; S152-N427 PolarHBondContact OG-OD1 3.12Å
153L95.3Very high92.9Very high0 Ų039.7 Ų39.70%020%0.201CC..EExtended strand (participates in β ladder)trans-104.1139.6171-43.4-175.2000109.6H143 M144 F155 V209 M212 I422H143-L153 WeakPolarHBondContact CA-O 3.5Å; M144-L153 HydrophobicContact CE-CD1 3.61Å; M144-L153 HydrophobicContact CE-CG 4.48Å; M144-L153 PolarHBondContact N-O 3.31Å; M144-L153 PolarHBondContact O-N 2.79Å; L153-F155 HydrophobicContact CB-CD2 4.3Å; L153-F155 HydrophobicContact CB-CE2 3.59Å; L153-F155 HydrophobicContact CB-CZ 4.01Å; L153-F155 HydrophobicContact CD1-CE2 3.91Å; L153-F155 HydrophobicContact CD1-CZ 3.71Å; L153-F155 HydrophobicContact CG-CE2 4.4Å; L153-V209 HydrophobicContact CD1-CB 4.49Å; L153-V209 HydrophobicContact CD1-CG2 4.04Å; L153-M212 HydrophobicContact CD1-CB 4.37Å; L153-M212 HydrophobicContact CD1-SD 3.7Å; L153-M212 HydrophobicContact CD2-SD 3.73Å; L153-M212 HydrophobicContact CG-CE 4.33Å; L153-M212 HydrophobicContact CG-SD 3.46Å; L153-M212 WeakPolarHBondContact CG-SD 3.35Å; L153-I422 HydrophobicContact CD2-CB 4.2Å; L153-I422 HydrophobicContact CD2-CD1 3.82Å; L153-I422 HydrophobicContact CD2-CG1 3.71Å; L153-I422 HydrophobicContact CD2-CG2 3.83Å
154T95Very high92.8Very high5 Ų544.4 Ų44.43%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-118.7118.1171-55.40000109.9Y141 H143 I420 K421Y141-T154 HydrophobicContact CD1-CG2 4.19Å; H143-T154 PolarHBondContact CE1-OG1 3.07Å; H143-T154 PolarHBondContact ND1-OG1 3.37Å; H143-T154 VanDerWaalsContact ND1-OG1 3.09Å; T154-I420 HydrophobicContact CG2-CD1 4.34Å; T154-I420 WeakPolarHBondContact O-CB 3.44Å; T154-I420 PolarHBondContact O-N 3.03Å; T154-K421 PolarHBondContact N-O 3.39Å; T154-K421 PolarHBondContact O-N 3.28Å; T154-K421 WeakPolarHBondContact OG1-CE 3.45Å
155F95.2Very high92.7Very high1 Ų147.4 Ų47.40%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-107.7141.9174.5-56.5-90.6000110.3Y141 L142 M144 L153 F213 I272 L417 N418 L419Y141-F155 CarbonylContact C-O 3.53Å; Y141-F155 VanDerWaalsContact CA-O 3.3Å; Y141-F155 WeakPolarHBondContact CA-O 3.46Å; L142-F155 PolarHBondContact N-O 3.28Å; L142-F155 PolarHBondContact O-N 3.27Å; M144-F155 HydrophobicContact CB-CE2 4.49Å; M144-F155 HydrophobicContact CE-CE2 4.28Å; L153-F155 HydrophobicContact CB-CD2 4.3Å; L153-F155 HydrophobicContact CB-CE2 3.59Å; L153-F155 HydrophobicContact CB-CZ 4.01Å; L153-F155 HydrophobicContact CD1-CE2 3.91Å; L153-F155 HydrophobicContact CD1-CZ 3.71Å; L153-F155 HydrophobicContact CG-CE2 4.4Å; F155-F213 HydrophobicContact CZ-CE2 4.33Å; F155-I272 HydrophobicContact CE1-CD1 4.07Å; F155-L417 HydrophobicContact CB-CB 4.19Å; F155-L417 HydrophobicContact CB-CD1 4.42Å; F155-L417 HydrophobicContact CB-CD2 4.1Å; F155-L417 HydrophobicContact CB-CG 4.48Å; F155-L417 HydrophobicContact CD1-CB 4.11Å; F155-L417 HydrophobicContact CD1-CD1 4.44Å; F155-L417 HydrophobicContact CG-CB 4.37Å; F155-L417 HydrophobicContact CG-CD1 4.25Å; F155-N418 CarbonylContact C-O 3.52Å; F155-N418 WeakPolarHBondContact CA-O 3.33Å; F155-L419 HydrophobicContact CD1-CB 4.07Å; F155-L419 HydrophobicContact CD1-CD1 4.01Å; F155-L419 HydrophobicContact CE1-CB 4.08Å; F155-L419 HydrophobicContact CE1-CD1 3.71Å; F155-L419 HydrophobicContact CE1-CG 4.46Å; F155-L419 HydrophobicContact CZ-CD1 4.14Å
156R94.2Very high92.5Very high93 Ų9347.6 Ų47.635%0.35123%0.234SC..EExtended strand (participates in β ladder)trans-80129.4159.3179.1175.1174-168.7-1.7107.3A158 L417 N418 I420R156-A158 PolarHBondContact O-N 3.43Å; R156-L417 WeakPolarHBondContact O-CA 3.11Å; R156-N418 HydrophobicContact CB-CB 4.47Å; R156-N418 PolarHBondContact N-O 2.9Å; R156-N418 PolarHBondContact O-N 2.92Å; R156-I420 HydrophobicContact CB-CD1 3.73Å; R156-I420 HydrophobicContact CB-CG1 4.08Å
157V94.7Very high92.3Very high6 Ų647.2 Ų47.24%0.03624%0.236CC..EExtended strand (participates in β ladder)trans-75.2115.2160.4-176.40000106.1F88 V140 L142 E159 Y160 I415 T416 L417F88-V157 HydrophobicContact CD1-CG2 4.47Å; F88-V157 HydrophobicContact CE1-CG2 4.15Å; V140-V157 HydrophobicContact CB-CB 4.12Å; V140-V157 HydrophobicContact CB-CG2 4.28Å; V140-V157 HydrophobicContact CG1-CB 4.37Å; V140-V157 HydrophobicContact CG1-CG2 3.99Å; V140-V157 WeakPolarHBondContact O-CB 3.33Å; V140-V157 PolarHBondContact O-N 2.92Å; L142-V157 HydrophobicContact CB-CG2 4.28Å; V157-E159 WeakPolarHBondContact CG1-O 3.31Å; V157-Y160 HydrophobicContact CG1-CD1 3.96Å; V157-Y160 HydrophobicContact CG1-CG 4.44Å; V157-I415 HydrophobicContact CG1-CG2 3.99Å; V157-T416 WeakPolarHBondContact CA-O 3.36Å; V157-L417 HydrophobicContact CB-CD2 4.41Å; V157-L417 HydrophobicContact CG2-CD2 3.83Å
158A91.5Very high92.2Very high48 Ų4851 Ų5140%0.39726%0.26SS..EExtended strand (participates in β ladder)trans-79.6-53.9173.800000109R156 T416R156-A158 PolarHBondContact O-N 3.43Å; A158-T416 PolarHBondContact N-O 3.2Å
159E93.8Very high92.3Very high133 Ų13352.4 Ų52.462%0.62126%0.262SS*.EExtended strand (participates in β ladder)trans-133.8156.1177.6-48.3179133.700111.1V157 T416V157-E159 WeakPolarHBondContact CG1-O 3.31Å; E159-T416 WeakPolarHBondContact CA-OG1 3.28Å; E159-T416 HydrophobicContact CB-CG2 4.35Å; E159-T416 VanDerWaalsContact CB-OG1 3.28Å; E159-T416 WeakPolarHBondContact CB-OG1 3.47Å; E159-T416 PolarHBondContact N-OG1 2.98Å; E159-T416 PolarHBondContact O-N 3.09Å
160Y95Very high92.3Very high81 Ų8146.7 Ų46.732%0.31824%0.238SC..EExtended strand (participates in β ladder)trans-151.8147170.465.2-82.6000110.4L42 L46 V157 L162 R414L42-Y160 HydrophobicContact CB-CE2 4.15Å; L46-Y160 HydrophobicContact CD1-CD2 4.32Å; L46-Y160 HydrophobicContact CD2-CD2 3.95Å; L46-Y160 HydrophobicContact CD2-CG 3.88Å; V157-Y160 HydrophobicContact CG1-CD1 3.96Å; V157-Y160 HydrophobicContact CG1-CG 4.44Å; Y160-L162 HydrophobicContact CD2-CD2 4.16Å; Y160-L162 HydrophobicContact CE2-CD2 4.27Å; Y160-R414 WeakPolarHBondContact CA-O 3.07Å
161S95.3Very high92.1Very high30 Ų3056.8 Ų56.821%0.2127%0.273CS..EExtended strand (participates in β ladder)trans-126.7141.8164.770.90000110.4I166 P413 R414S161-I166 WeakPolarHBondContact OG-CD1 3.3Å; S161-P413 WeakPolarHBondContact O-CB 3.46Å; S161-R414 PolarHBondContact N-O 2.71Å; S161-R414 PolarHBondContact O-N 2.76Å
162L95.5Very high91.4Very high2 Ų262.7 Ų62.71%0.0129%0.292CS..  trans-81.5154.2-174.3-55.3170.1000109.9L42 Q45 L46 D49 Y160 R164 D165 I166L42-L162 HydrophobicContact CD2-CD1 4.03Å; Q45-L162 HydrophobicContact CB-CD1 4.13Å; Q45-L162 HydrophobicContact CB-CD2 4.16Å; Q45-L162 HydrophobicContact CG-CD1 4.08Å; Q45-L162 HydrophobicContact CG-CD2 4.24Å; L46-L162 HydrophobicContact CB-CD2 3.72Å; L46-L162 HydrophobicContact CD1-CD2 4.11Å; D49-L162 WeakPolarHBondContact OD2-CA 3.46Å; D49-L162 WeakPolarHBondContact OD2-CB 3.39Å; Y160-L162 HydrophobicContact CD2-CD2 4.16Å; Y160-L162 HydrophobicContact CE2-CD2 4.27Å; L162-R164 HydrophobicContact CB-CG 4.28Å; L162-R164 VanDerWaalsContact CD1-CZ 3.46Å; L162-R164 PolarHBondContact O-N 3.21Å; L162-D165 VanDerWaalsContact CB-OD2 3.23Å; L162-D165 WeakPolarHBondContact CB-OD2 3.5Å; L162-D165 PolarHBondContact N-OD2 2.84Å; L162-D165 PolarHBondContact O-N 3.26Å; L162-I166 PolarHBondContact O-N 2.95Å
163K92.6Very high90.3Very high22 Ų2270 Ų7010%0.09634%0.336CS..Hα-helixtrans-50.9-44.3178.6165.8178.8161.5-177.60112D49 E52 D165 I166 Q167 Y179D49-K163 HydrophobicContact CB-CB 4.08Å; D49-K163 WeakPolarHBondContact OD2-CB 3.35Å; D49-K163 PolarHBondContact OD2-N 3.21Å; E52-K163 IonicContact OE1-NZ 3.95Å; E52-K163 PolarHBondContact OE1-NZ 3.38Å; E52-K163 WeakPolarHBondContact OE2-CD 3.37Å; E52-K163 WeakPolarHBondContact OE2-CE 3.42Å; E52-K163 IonicContact OE2-NZ 2.8Å; E52-K163 PolarHBondContact OE2-NZ 2.87Å; K163-D165 VanDerWaalsContact C-N 3.27Å; K163-D165 PolarHBondContact O-N 2.88Å; K163-I166 PolarHBondContact O-N 3.22Å; K163-Q167 HydrophobicContact CG-CG 4.33Å; K163-Q167 WeakPolarHBondContact O-CG 3.47Å; K163-Q167 PolarHBondContact O-N 3.28Å; K163-Y179 WeakPolarHBondContact CE-OH 3.43Å; K163-Y179 PolarHBondContact NZ-OH 2.96Å
164R91.8Very high89.4Confident122 Ų12271.5 Ų71.546%0.4634%0.343SS..Hα-helixtrans-60-35.5-179.577.1-165.6-178.4-169.92.7112.7L162 I166 Q167 T168L162-R164 HydrophobicContact CB-CG 4.28Å; L162-R164 VanDerWaalsContact CD1-CZ 3.46Å; L162-R164 PolarHBondContact O-N 3.21Å; R164-I166 VanDerWaalsContact C-N 3.35Å; R164-Q167 PolarHBondContact O-N 3.26Å; R164-T168 PolarHBondContact O-N 2.95Å; R164-T168 VanDerWaalsContact O-N 3.15Å; R164-T168 PolarHBondContact O-OG1 3.43Å
165D93.3Very high88.7Confident66 Ų6674.1 Ų74.135%0.35336%0.356SS..Hα-helixtrans-77-28-176.3-40.6-37.5000110.3L162 K163 T168 L169L162-D165 VanDerWaalsContact CB-OD2 3.23Å; L162-D165 WeakPolarHBondContact CB-OD2 3.5Å; L162-D165 PolarHBondContact N-OD2 2.84Å; L162-D165 PolarHBondContact O-N 3.26Å; K163-D165 VanDerWaalsContact C-N 3.27Å; K163-D165 PolarHBondContact O-N 2.88Å; D165-T168 PolarHBondContact O-OG1 3.19Å; D165-L169 PolarHBondContact O-N 2.81Å
166I91.9Very high88Confident3 Ų378.1 Ų78.12%0.01538%0.384CS..Hα-helixtrans-78.1-36.3172.3-62.2155.4000110.6S161 L162 K163 R164 T168 L169 V170 E410 R414S161-I166 WeakPolarHBondContact OG-CD1 3.3Å; L162-I166 PolarHBondContact O-N 2.95Å; K163-I166 PolarHBondContact O-N 3.22Å; R164-I166 VanDerWaalsContact C-N 3.35Å; I166-T168 PolarHBondContact O-N 3.28Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 PolarHBondContact O-N 3.13Å; I166-V170 HydrophobicContact CG2-CG2 4.08Å; I166-V170 WeakPolarHBondContact O-CB 3.46Å; I166-V170 WeakPolarHBondContact O-CG2 3.28Å; I166-V170 PolarHBondContact O-N 3.04Å; I166-E410 HydrophobicContact CG2-CB 3.95Å; I166-R414 HydrophobicContact CD1-CB 4.39Å; I166-R414 HydrophobicContact CD1-CG 3.8Å; I166-R414 HydrophobicContact CG1-CG 4.47Å
167Q88.8Confident87.4Confident73 Ų7382.7 Ų82.734%0.34140%0.402SS..Hα-helixtrans-65.3-36.7176.6-73.8-178.5-45.500112.6K163 R164 R171K163-Q167 HydrophobicContact CG-CG 4.33Å; K163-Q167 WeakPolarHBondContact O-CG 3.47Å; K163-Q167 PolarHBondContact O-N 3.28Å; R164-Q167 PolarHBondContact O-N 3.26Å; Q167-R171 PolarHBondContact O-N 2.9Å
168T89.8Confident86.9Confident102 Ų10283.7 Ų83.763%0.62641%0.406SS*.Hα-helixtrans-71.3-3317350.60000113R164 D165 I166 R171R164-T168 PolarHBondContact O-N 2.95Å; R164-T168 VanDerWaalsContact O-N 3.15Å; R164-T168 PolarHBondContact O-OG1 3.43Å; D165-T168 PolarHBondContact O-OG1 3.19Å; I166-T168 PolarHBondContact O-N 3.28Å; T168-R171 VanDerWaalsContact O-CG 3.24Å; T168-R171 WeakPolarHBondContact O-CG 3.38Å
169L87.9Confident86.7Confident113 Ų11381.7 Ų81.759%0.59239%0.388SS*.Hα-helixtrans-66.7-54.4173.9-17477.8000111.8D165 I166D165-L169 PolarHBondContact O-N 2.81Å; I166-L169 WeakPolarHBondContact O-CB 3.4Å; I166-L169 PolarHBondContact O-N 3.13Å
170V85.2Confident86.4Confident41 Ų4179.9 Ų79.925%0.24839%0.39CS..Hα-helixtrans-78.1-23.2-172.2179.20000112.4I166 R172 E410I166-V170 HydrophobicContact CG2-CG2 4.08Å; I166-V170 WeakPolarHBondContact O-CB 3.46Å; I166-V170 WeakPolarHBondContact O-CG2 3.28Å; I166-V170 PolarHBondContact O-N 3.04Å; V170-R172 HydrophobicContact CG1-CB 4.06Å; V170-R172 HydrophobicContact CG1-CG 4.02Å; V170-R172 PolarHBondContact O-N 3.49Å; V170-E410 HydrophobicContact CG2-CB 4.46Å
171R78.7Confident86.1Confident222 Ų22276.7 Ų76.784%0.83838%0.379SS*.  trans54.117.1178-58.1-175.8178.4-178.7-0.2115.8Q167 T168Q167-R171 PolarHBondContact O-N 2.9Å; T168-R171 VanDerWaalsContact O-CG 3.24Å; T168-R171 WeakPolarHBondContact O-CG 3.38Å
172R78.5Confident85.9Confident154 Ų15477.5 Ų77.558%0.58138%0.384SS*.PPolyproline II helixtrans-98.1134.9178-68.6173.3-177152.62.3110.8V170 F174V170-R172 HydrophobicContact CG1-CB 4.06Å; V170-R172 HydrophobicContact CG1-CG 4.02Å; V170-R172 PolarHBondContact O-N 3.49Å; R172-F174 PolarHBondContact O-N 3.2Å
173V73.2Confident85.8Confident153 Ų15377.8 Ų77.893%0.92739%0.386SS*.PPolyproline II helixtrans-74121.1179.1-178.30000110.3
174F75.1Confident85.8Confident32 Ų3278.9 Ų78.914%0.1439%0.393CS..PPolyproline II helixtrans-98.4134.2175.5-178.1-84.3000111.1R172 Q178 Y179 H278 I411R172-F174 PolarHBondContact O-N 3.2Å; F174-Q178 HydrophobicContact CE1-CB 4.15Å; F174-Q178 HydrophobicContact CE2-CB 4.33Å; F174-Q178 HydrophobicContact CZ-CB 3.65Å; F174-Q178 HydrophobicContact CZ-CG 4.35Å; F174-Y179 AromaticContact CD1-CE2 4Å; F174-Y179 HydrophobicContact CD1-CE2 4Å; F174-Y179 AromaticContact CE1-CD2 3.97Å; F174-Y179 HydrophobicContact CE1-CD2 3.97Å; F174-Y179 AromaticContact CE1-CE1 3.95Å; F174-Y179 HydrophobicContact CE1-CE1 3.95Å; F174-Y179 AromaticContact CE1-CE2 3.3Å; F174-Y179 HydrophobicContact CE1-CE2 3.3Å; F174-Y179 AromaticContact CE1-CZ 3.27Å; F174-Y179 VanDerWaalsContact CE1-OH 3.31Å; F174-Y179 WeakPolarHBondContact CE1-OH 3.47Å; F174-Y179 HydrophobicContact CZ-CD1 4.48Å; F174-Y179 AromaticContact CZ-CE1 3.96Å; F174-Y179 HydrophobicContact CZ-CE1 3.96Å; F174-Y179 HydrophobicContact CZ-CE2 4.14Å; F174-Y179 AromaticContact CZ-CZ 3.73Å; F174-H278 HydrophobicContact CD2-CB 4.44Å; F174-H278 HydrophobicContact CE2-CB 4.11Å; F174-I411 HydrophobicContact CD2-CD1 4.29Å; F174-I411 HydrophobicContact CD2-CG1 3.87Å; F174-I411 HydrophobicContact CD2-CG2 4.23Å; F174-I411 HydrophobicContact CE2-CB 4.45Å; F174-I411 HydrophobicContact CE2-CD1 3.45Å; F174-I411 VanDerWaalsContact CE2-CD1 3.45Å; F174-I411 HydrophobicContact CE2-CG1 3.54Å; F174-I411 HydrophobicContact CE2-CG2 4.06Å; F174-I411 HydrophobicContact CZ-CD1 4.02Å; F174-I411 HydrophobicContact CZ-CG1 4.42Å; F174-I411 HydrophobicContact CZ-CG2 4.34Å
175D80.1Confident85.9Confident59 Ų5975.3 Ų75.332%0.31638%0.383SS..  trans-89.5112.1176.9179-3.1000111.2R177 Q178D175-R177 PolarHBondContact O-N 3.39Å; D175-R177 VanDerWaalsContact OD1-CB 3.27Å; D175-R177 WeakPolarHBondContact OD1-CB 3.49Å; D175-R177 VanDerWaalsContact OD1-CG 3.3Å; D175-R177 WeakPolarHBondContact OD1-CG 3.41Å; D175-R177 IonicContact OD1-CZ 3.33Å; D175-R177 PolarHBondContact OD1-N 3.23Å; D175-R177 IonicContact OD1-NE 3.01Å; D175-R177 PolarHBondContact OD1-NE 3.11Å; D175-R177 IonicContact OD1-NH2 3.83Å; D175-R177 IonicContact OD2-CZ 2.88Å; D175-R177 IonicContact OD2-NE 2.96Å; D175-R177 PolarHBondContact OD2-NE 2.95Å; D175-R177 IonicContact OD2-NH2 3.65Å; D175-R177 PolarHBondContact OD2-NH2 2.87Å; D175-Q178 HydrophobicContact CB-CG 4.34Å; D175-Q178 WeakPolarHBondContact O-CB 3.3Å; D175-Q178 VanDerWaalsContact O-CG 3.24Å; D175-Q178 WeakPolarHBondContact O-CG 3.31Å; D175-Q178 PolarHBondContact O-N 3.29Å
176S80.8Confident85.8Confident85 Ų8575.3 Ų75.359%0.59439%0.385SS*.G310 helixtrans-54.2-20.8179.2-52.90000114.6Q178 Y179S176-Q178 PolarHBondContact O-N 3.12Å; S176-Q178 VanDerWaalsContact O-N 3.15Å; S176-Y179 VanDerWaalsContact O-CD2 3.25Å; S176-Y179 WeakPolarHBondContact O-CD2 3.38Å; S176-Y179 PolarHBondContact O-N 3.38Å
177R82.7Confident85.8Confident190 Ų19077.4 Ų77.472%0.71740%0.395SS*.G310 helixtrans-64.7-14.8174.6-62176.4-64.8-174.82.8113.2D175 Y179 S180D175-R177 PolarHBondContact O-N 3.39Å; D175-R177 VanDerWaalsContact OD1-CB 3.27Å; D175-R177 WeakPolarHBondContact OD1-CB 3.49Å; D175-R177 VanDerWaalsContact OD1-CG 3.3Å; D175-R177 WeakPolarHBondContact OD1-CG 3.41Å; D175-R177 IonicContact OD1-CZ 3.33Å; D175-R177 PolarHBondContact OD1-N 3.23Å; D175-R177 IonicContact OD1-NE 3.01Å; D175-R177 PolarHBondContact OD1-NE 3.11Å; D175-R177 IonicContact OD1-NH2 3.83Å; D175-R177 IonicContact OD2-CZ 2.88Å; D175-R177 IonicContact OD2-NE 2.96Å; D175-R177 PolarHBondContact OD2-NE 2.95Å; D175-R177 IonicContact OD2-NH2 3.65Å; D175-R177 PolarHBondContact OD2-NH2 2.87Å; R177-Y179 VanDerWaalsContact C-N 3.33Å; R177-S180 WeakPolarHBondContact O-CB 3.36Å; R177-S180 PolarHBondContact O-N 3.49Å
178Q84.3Confident85.9Confident26 Ų2676.8 Ų76.812%0.12140%0.397CS..G310 helixtrans-73.1-20.6176.5-61.4-179.215.100113.8F174 D175 S176 S180 S181 K231 R232 H278F174-Q178 HydrophobicContact CE1-CB 4.15Å; F174-Q178 HydrophobicContact CE2-CB 4.33Å; F174-Q178 HydrophobicContact CZ-CB 3.65Å; F174-Q178 HydrophobicContact CZ-CG 4.35Å; D175-Q178 HydrophobicContact CB-CG 4.34Å; D175-Q178 WeakPolarHBondContact O-CB 3.3Å; D175-Q178 VanDerWaalsContact O-CG 3.24Å; D175-Q178 WeakPolarHBondContact O-CG 3.31Å; D175-Q178 PolarHBondContact O-N 3.29Å; S176-Q178 PolarHBondContact O-N 3.12Å; S176-Q178 VanDerWaalsContact O-N 3.15Å; Q178-S180 PolarHBondContact O-N 3.35Å; Q178-S181 PolarHBondContact O-N 2.92Å; Q178-S181 PolarHBondContact O-OG 2.93Å; Q178-K231 HydrophobicContact CG-CD 4.48Å; Q178-R232 PolarHBondContact O-NE 3.33Å; Q178-R232 VanDerWaalsContact O-NE 3.15Å; Q178-H278 VanDerWaalsContact CD-CE1 3.47Å; Q178-H278 PolarHBondContact NE2-CE1 3.01Å; Q178-H278 PolarHBondContact NE2-NE2 3.22Å; Q178-H278 VanDerWaalsContact NE2-NE2 3.13Å; Q178-H278 PolarHBondContact OE1-CE1 3.05Å; Q178-H278 VanDerWaalsContact OE1-CG 3.25Å; Q178-H278 PolarHBondContact OE1-ND1 3.37Å
179Y86.6Confident85.5Confident7 Ų772.8 Ų72.83%0.02738%0.375CS..G310 helixtrans-66.4-20.2173.2-61.5-62.1000112.7E52 E55 K163 F174 S176 R177 S181 R232 I411E52-Y179 HydrophobicContact CB-CD1 4.05Å; E52-Y179 HydrophobicContact CB-CE1 3.8Å; E52-Y179 WeakPolarHBondContact O-CD1 3.42Å; E55-Y179 CarbonylContact C-O 3.58Å; E55-Y179 WeakPolarHBondContact OE2-CB 3.35Å; K163-Y179 WeakPolarHBondContact CE-OH 3.43Å; K163-Y179 PolarHBondContact NZ-OH 2.96Å; F174-Y179 AromaticContact CD1-CE2 4Å; F174-Y179 HydrophobicContact CD1-CE2 4Å; F174-Y179 AromaticContact CE1-CD2 3.97Å; F174-Y179 HydrophobicContact CE1-CD2 3.97Å; F174-Y179 AromaticContact CE1-CE1 3.95Å; F174-Y179 HydrophobicContact CE1-CE1 3.95Å; F174-Y179 AromaticContact CE1-CE2 3.3Å; F174-Y179 HydrophobicContact CE1-CE2 3.3Å; F174-Y179 AromaticContact CE1-CZ 3.27Å; F174-Y179 VanDerWaalsContact CE1-OH 3.31Å; F174-Y179 WeakPolarHBondContact CE1-OH 3.47Å; F174-Y179 HydrophobicContact CZ-CD1 4.48Å; F174-Y179 AromaticContact CZ-CE1 3.96Å; F174-Y179 HydrophobicContact CZ-CE1 3.96Å; F174-Y179 HydrophobicContact CZ-CE2 4.14Å; F174-Y179 AromaticContact CZ-CZ 3.73Å; S176-Y179 VanDerWaalsContact O-CD2 3.25Å; S176-Y179 WeakPolarHBondContact O-CD2 3.38Å; S176-Y179 PolarHBondContact O-N 3.38Å; R177-Y179 VanDerWaalsContact C-N 3.33Å; Y179-S181 PolarHBondContact O-N 3.11Å; Y179-R232 PolarHBondContact O-NH2 3.21Å; Y179-I411 HydrophobicContact CE1-CG2 4.42Å; Y179-I411 WeakPolarHBondContact OH-CG2 3.32Å
180S88.2Confident85.2Confident94 Ų9468.1 Ų68.166%0.65735%0.35SS*.G310 helixtrans-65.2-17175.4-175.20000114.6R177 Q178R177-S180 WeakPolarHBondContact O-CB 3.36Å; R177-S180 PolarHBondContact O-N 3.49Å; Q178-S180 PolarHBondContact O-N 3.35Å
181S88.8Confident84.4Confident14 Ų1469 Ų6910%0.09837%0.368CS..SBendtrans-104133.7171.836.60000109.5Q178 Y179 T229 R232Q178-S181 PolarHBondContact O-N 2.92Å; Q178-S181 PolarHBondContact O-OG 2.93Å; Y179-S181 PolarHBondContact O-N 3.11Å; S181-T229 VanDerWaalsContact CB-O 3.28Å; S181-T229 WeakPolarHBondContact CB-O 3.2Å; S181-R232 VanDerWaalsContact O-CZ 3.32Å; S181-R232 PolarHBondContact O-NE 3.1Å; S181-R232 VanDerWaalsContact O-NE 3.1Å; S181-R232 PolarHBondContact O-NH2 2.85Å
182P91Very high83.6Confident48 Ų4865 Ų6531%0.31236%0.36SS..PPolyproline II helixtrans-63.9156.1178.629.4-36.8000111.8F57F57-P182 HydrophobicContact CD2-CB 4.08Å; F57-P182 HydrophobicContact CE2-CB 3.89Å; F57-P182 HydrophobicContact CE2-CG 4.03Å
183P92.9Very high82.5Confident7 Ų758.8 Ų58.85%0.04534%0.344CS..PPolyproline II helixtrans-73.4148.4170.133.8-35.2000110.9I53 L217 R232 L234I53-P183 HydrophobicContact CG2-CG 4.46Å; I53-P183 WeakPolarHBondContact O-CD 3.37Å; I53-P183 WeakPolarHBondContact O-CG 3.33Å; P183-L217 HydrophobicContact CG-CD1 4.4Å; P183-L217 HydrophobicContact CG-CD2 3.83Å; P183-R232 WeakPolarHBondContact CA-O 3.31Å; P183-R232 HydrophobicContact CB-CB 4.25Å; P183-L234 HydrophobicContact CB-CB 4.25Å
184L91.8Very high81.4Confident45 Ų4553 Ų5324%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-77.6151.8158.9-60.8-171.5000110.1L220 V230 R232 V233 L234L184-L220 HydrophobicContact CD2-CD1 3.88Å; L184-L220 HydrophobicContact CD2-CD2 3.91Å; L184-V230 HydrophobicContact CD1-CB 4.37Å; L184-V230 HydrophobicContact CD1-CG1 3.49Å; L184-V230 VanDerWaalsContact CD1-CG1 3.49Å; L184-V230 HydrophobicContact CD1-CG2 3.93Å; L184-V230 HydrophobicContact CD2-CG2 4.34Å; L184-V230 HydrophobicContact CG-CG1 3.97Å; L184-V230 HydrophobicContact CG-CG2 4.33Å; L184-R232 PolarHBondContact N-O 2.71Å; L184-V233 HydrophobicContact CB-CG2 4.45Å; L184-V233 CarbonylContact O-C 3.58Å; L184-V233 WeakPolarHBondContact O-CA 3.09Å; L184-L234 PolarHBondContact O-N 2.84Å
185L93.7Very high80.4Confident48 Ų4858.3 Ų58.325%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-97.3133.7172-173.464000110M187 F213 Q214 L217 L234 V236L185-M187 HydrophobicContact CD1-CG 4.22Å; L185-M187 HydrophobicContact CD2-CG 3.98Å; L185-M187 HydrophobicContact CD2-SD 3.81Å; L185-M187 HydrophobicContact CG-CG 3.83Å; L185-M187 HydrophobicContact CG-SD 4.32Å; L185-F213 HydrophobicContact CD2-CB 4.39Å; L185-F213 WeakPolarHBondContact CD2-O 3.48Å; L185-Q214 HydrophobicContact CD2-CB 4.49Å; L185-Q214 HydrophobicContact CD2-CG 4Å; L185-L217 HydrophobicContact CB-CD1 3.89Å; L185-L217 HydrophobicContact CD1-CD1 4.39Å; L185-L234 HydrophobicContact CD1-CD2 4.29Å; L185-L234 HydrophobicContact CD1-CG 4.42Å; L185-V236 HydrophobicContact CD1-CG2 3.9Å
186V93.2Very high79Confident66 Ų6660.6 Ų60.640%0.436%0.363SS..EExtended strand (participates in β ladder)trans-124.3132.8166.2175.70000107.6V233 L234 L235 V236V186-V233 HydrophobicContact CB-CG2 4.26Å; V186-V233 HydrophobicContact CG2-CG2 3.57Å; V186-L234 PolarHBondContact N-O 3.33Å; V186-L235 HydrophobicContact CB-CD1 4.09Å; V186-L235 HydrophobicContact CG1-CD1 3.71Å; V186-V236 PolarHBondContact O-N 3.17Å
187M91.1Very high77.7Confident47 Ų4760.7 Ų60.723%0.23237%0.369CS..EExtended strand (participates in β ladder)trans-127126.1-178.7-57.3-164.573.500110.4L185 F190 V210 F213 Q214 V236L185-M187 HydrophobicContact CD1-CG 4.22Å; L185-M187 HydrophobicContact CD2-CG 3.98Å; L185-M187 HydrophobicContact CD2-SD 3.81Å; L185-M187 HydrophobicContact CG-CG 3.83Å; L185-M187 HydrophobicContact CG-SD 4.32Å; M187-F190 HydrophobicContact CB-CD2 4.06Å; M187-F190 HydrophobicContact CB-CE2 4.42Å; M187-F190 HydrophobicContact CE-CD1 4.42Å; M187-F190 HydrophobicContact CE-CD2 3.77Å; M187-F190 HydrophobicContact CE-CE1 4.28Å; M187-F190 HydrophobicContact CE-CE2 3.61Å; M187-F190 HydrophobicContact CE-CG 4.19Å; M187-F190 HydrophobicContact CE-CZ 3.88Å; M187-V210 HydrophobicContact CE-CB 4.45Å; M187-V210 HydrophobicContact CE-CG2 4.04Å; M187-V210 HydrophobicContact SD-CG1 4.14Å; M187-F213 HydrophobicContact CE-CB 3.81Å; M187-F213 HydrophobicContact CE-CD2 4.07Å; M187-F213 HydrophobicContact CE-CG 4.23Å; M187-F213 HydrophobicContact SD-CB 4.11Å; M187-Q214 HydrophobicContact SD-CG 4.18Å; M187-V236 WeakPolarHBondContact CA-O 3.47Å; M187-V236 HydrophobicContact CE-CB 4.46Å; M187-V236 HydrophobicContact CE-CG1 4.41Å
188T90.1Very high76.3Confident60 Ų6059.2 Ų59.237%0.36838%0.375SS..EExtended strand (participates in β ladder)trans-126.7147.7-179.947.20000110.7F190 V236 S237 R238T188-F190 VanDerWaalsContact C-N 3.33Å; T188-F190 WeakPolarHBondContact O-CD2 3.48Å; T188-F190 WeakPolarHBondContact O-CE2 3.06Å; T188-F190 PolarHBondContact O-N 2.96Å; T188-V236 PolarHBondContact N-O 2.85Å; T188-S237 VanDerWaalsContact OG1-CA 3.25Å; T188-S237 WeakPolarHBondContact OG1-CA 3.49Å; T188-S237 VanDerWaalsContact OG1-CB 3.3Å; T188-S237 WeakPolarHBondContact OG1-CB 3.44Å; T188-S237 PolarHBondContact OG1-OG 2.65Å; T188-S237 VanDerWaalsContact OG1-OG 3.1Å; T188-R238 PolarHBondContact O-N 3.01Å
189G82.8Confident74.8Confident17 Ų1763.8 Ų63.818%0.17541%0.405CS..SBendtrans75.85175.800000117.4R238G189-R238 WeakPolarHBondContact CA-O 3.21Å; G189-R238 PolarHBondContact O-NH1 3.1Å
190F80.4Confident73.3Confident16 Ų1666 Ų667%0.0742%0.421CS..SBendtrans-85.3-13.2-179.6-73.2-85000115.2M187 T188 V209 V210 V236 R238 I272M187-F190 HydrophobicContact CB-CD2 4.06Å; M187-F190 HydrophobicContact CB-CE2 4.42Å; M187-F190 HydrophobicContact CE-CD1 4.42Å; M187-F190 HydrophobicContact CE-CD2 3.77Å; M187-F190 HydrophobicContact CE-CE1 4.28Å; M187-F190 HydrophobicContact CE-CE2 3.61Å; M187-F190 HydrophobicContact CE-CG 4.19Å; M187-F190 HydrophobicContact CE-CZ 3.88Å; T188-F190 VanDerWaalsContact C-N 3.33Å; T188-F190 WeakPolarHBondContact O-CD2 3.48Å; T188-F190 WeakPolarHBondContact O-CE2 3.06Å; T188-F190 PolarHBondContact O-N 2.96Å; F190-V209 HydrophobicContact CE1-CG1 3.78Å; F190-V210 HydrophobicContact CB-CG2 3.56Å; F190-V210 HydrophobicContact CD1-CG2 3.67Å; F190-V210 HydrophobicContact CG-CG2 3.68Å; F190-V236 HydrophobicContact CE2-CB 4.34Å; F190-V236 HydrophobicContact CE2-CG1 3.77Å; F190-V236 HydrophobicContact CZ-CG1 3.68Å; F190-R238 HydrophobicContact CD1-CB 4.39Å; F190-R238 HydrophobicContact CD2-CB 4.14Å; F190-R238 HydrophobicContact CE1-CB 4.11Å; F190-R238 HydrophobicContact CE2-CB 3.83Å; F190-R238 HydrophobicContact CG-CB 4.41Å; F190-R238 HydrophobicContact CZ-CB 3.81Å; F190-I272 HydrophobicContact CE1-CD1 4.15Å; F190-I272 HydrophobicContact CZ-CD1 4.28Å; F190-I272 HydrophobicContact CZ-CG1 4.36Å; F190-I272 HydrophobicContact CZ-CG2 4.13Å
191G69.5Low71.9Confident60 Ų6066.8 Ų66.862%0.61942%0.424SS*.SBendtrans-82.5-34.6175.900000113.6G193G191-G193 PolarHBondContact O-N 3.04Å
192M62.1Low70.7Confident136 Ų13669.2 Ų69.267%0.6744%0.44SS*.  trans-81.1110.3-177.1-53102.781.500110.5R238M192-R238 PolarHBondContact O-NH1 2.91Å
193G53.7Low69.8Low24 Ų2470 Ų7025%0.24744%0.441CS..  trans-163.37.6-177.900000116.3G191 L203G191-G193 PolarHBondContact O-N 3.04Å; G193-L203 WeakPolarHBondContact O-CD1 3.47Å; G193-L203 VanDerWaalsContact O-CG 3.25Å; G193-L203 WeakPolarHBondContact O-CG 3.31Å
194G51.2Low69.2Low32 Ų3274.3 Ų74.333%0.3347%0.469SS..SBendtrans-116.2157.5169.600000110.7N196 S200G194-N196 PolarHBondContact O-N 2.89Å; G194-S200 WeakPolarHBondContact CA-OG 3.07Å
195T53Low68.8Low144 Ų14473.6 Ų73.688%0.88347%0.465SS*.SBendtrans-59.2-30.6-179.946.30000112.8
196N50.5Low68.5Low106 Ų10671.4 Ų71.457%0.56745%0.453SS*.SBendtrans-10597175.4-63.7-8.6000109.4G194 N198 T199 S200G194-N196 PolarHBondContact O-N 2.89Å; N196-N198 PolarHBondContact O-N 3.09Å; N196-T199 PolarHBondContact O-N 3.27Å; N196-S200 PolarHBondContact O-OG 3.28Å
197A53.8Low68.3Low87 Ų8777.1 Ų77.172%0.71947%0.468SS*.THydrogen-bonded Turntrans-53.6-20.6-169.800000116
198N53.1Low68.3Low159 Ų15977.8 Ų77.885%0.8547%0.472SS*.THydrogen-bonded Turntrans-114.43.2-169.9-62.2-21.1000115N196N196-N198 PolarHBondContact O-N 3.09Å
199T54.5Low68.4Low123 Ų12374.9 Ų74.976%0.75545%0.454SS*.THydrogen-bonded Turntrans-142-31.3-169.6-38.90000115.6N196N196-T199 PolarHBondContact O-N 3.27Å
200S54.4Low68.8Low52 Ų5275.5 Ų75.536%0.36445%0.454SS..SBendtrans-80.8139.6-179.354.40000112.4G194 N196G194-S200 WeakPolarHBondContact CA-OG 3.07Å; N196-S200 PolarHBondContact O-OG 3.28Å
201P59.2Low69.3Low111 Ų11177.7 Ų77.772%0.72147%0.467SS*.PPolyproline II helixtrans-62.6148.917427.6-35000111.6L203P201-L203 PolarHBondContact O-N 3.05Å
202P63.5Low70.4Confident66 Ų6674.9 Ų74.943%0.42944%0.437SS..PPolyproline II helixtrans-63.3138-179.426.7-35000111
203L72.1Confident71.9Confident63 Ų6368.9 Ų68.933%0.3341%0.408SS..PPolyproline II helixtrans-47.7130.3-177.6-70.2165.8000111.2G193 P201 H205 L206 R207G193-L203 WeakPolarHBondContact O-CD1 3.47Å; G193-L203 VanDerWaalsContact O-CG 3.25Å; G193-L203 WeakPolarHBondContact O-CG 3.31Å; P201-L203 PolarHBondContact O-N 3.05Å; L203-H205 PolarHBondContact O-N 3.32Å; L203-H205 VanDerWaalsContact O-N 3.11Å; L203-L206 HydrophobicContact CB-CB 4.5Å; L203-L206 HydrophobicContact CB-CD1 4Å; L203-L206 HydrophobicContact CB-CG 4.01Å; L203-L206 HydrophobicContact CD1-CD1 4.07Å; L203-L206 HydrophobicContact CG-CD1 4.49Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.45Å; L203-R207 PolarHBondContact O-N 3.43Å
204P79.4Confident73.7Confident99 Ų9973 Ų7364%0.64342%0.42SS*.Hα-helixtrans-61.8-30.6-169.221.7-33000112.9R207 L208P204-R207 PolarHBondContact O-N 3.04Å; P204-L208 PolarHBondContact O-N 2.9Å
205H84.7Confident75.7Confident29 Ų2973.8 Ų73.813%0.13442%0.417CS..Hα-helixtrans-67.3-35174.560.3-104.8000113L203 L208 V209 I422 Y433L203-H205 PolarHBondContact O-N 3.32Å; L203-H205 VanDerWaalsContact O-N 3.11Å; H205-L208 PolarHBondContact O-N 2.84Å; H205-V209 WeakPolarHBondContact O-CG2 3.19Å; H205-V209 PolarHBondContact O-N 2.91Å; H205-V209 VanDerWaalsContact O-N 3.1Å; H205-I422 HydrophobicContact CB-CD1 3.67Å; H205-Y433 HydrophobicContact CB-CD2 4.28Å; H205-Y433 HydrophobicContact CB-CG 4.04Å; H205-Y433 AromaticContact CE1-CD2 3.82Å; H205-Y433 AromaticContact CE1-CE2 3.62Å; H205-Y433 AromaticContact CG-CD2 3.82Å; H205-Y433 AromaticContact ND1-CD2 3.52Å; H205-Y433 AromaticContact ND1-CE2 3.83Å; H205-Y433 AromaticContact NE2-CE2 3.89Å
206L86.5Confident77.5Confident2 Ų267 Ų671%0.0138%0.375CS..Hα-helixtrans-68.3-39.6174.6-61.6178.7000111.1L203 L208 V209 V210L203-L206 HydrophobicContact CB-CB 4.5Å; L203-L206 HydrophobicContact CB-CD1 4Å; L203-L206 HydrophobicContact CB-CG 4.01Å; L203-L206 HydrophobicContact CD1-CD1 4.07Å; L203-L206 HydrophobicContact CG-CD1 4.49Å; L203-L206 WeakPolarHBondContact O-CB 3.42Å; L203-L206 PolarHBondContact O-N 3.45Å; L206-L208 VanDerWaalsContact C-N 3.27Å; L206-L208 PolarHBondContact O-N 2.67Å; L206-V209 WeakPolarHBondContact O-CB 3.45Å; L206-V209 PolarHBondContact O-N 2.81Å; L206-V209 VanDerWaalsContact O-N 3.11Å; L206-V210 WeakPolarHBondContact O-CG2 3.02Å; L206-V210 PolarHBondContact O-N 3.49Å
207R88.4Confident79.3Confident187 Ų18762.7 Ų62.771%0.70635%0.352SS*.Hα-helixtrans-59.9-37.3175.2-171.9174.3179.4167.20.3112.1L203 P204 V210 D211L203-R207 PolarHBondContact O-N 3.43Å; P204-R207 PolarHBondContact O-N 3.04Å; R207-V210 PolarHBondContact O-N 2.94Å; R207-D211 PolarHBondContact O-N 3.5Å
208L90.8Very high81Confident60 Ų6060.3 Ų60.331%0.31433%0.33SS..Hα-helixtrans-68-39.6172.9-67.9173.6000112.7P204 H205 L206 V210 D211 M212 I422 L432P204-L208 PolarHBondContact O-N 2.9Å; H205-L208 PolarHBondContact O-N 2.84Å; L206-L208 VanDerWaalsContact C-N 3.27Å; L206-L208 PolarHBondContact O-N 2.67Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.3Å; L208-D211 PolarHBondContact O-N 3.44Å; L208-M212 WeakPolarHBondContact O-CG 3.33Å; L208-M212 PolarHBondContact O-N 3.25Å; L208-I422 HydrophobicContact CB-CD1 4.43Å; L208-I422 HydrophobicContact CD1-CG2 4.43Å; L208-L432 HydrophobicContact CD1-CD1 4.46Å
209V91.9Very high82.6Confident0 Ų058 Ų580%032%0.323CS..Hα-helixtrans-59.8-45.3173.6174.20000110.6L153 F190 H205 L206 M212 F213 I272 L419 I422L153-V209 HydrophobicContact CD1-CB 4.49Å; L153-V209 HydrophobicContact CD1-CG2 4.04Å; F190-V209 HydrophobicContact CE1-CG1 3.78Å; H205-V209 WeakPolarHBondContact O-CG2 3.19Å; H205-V209 PolarHBondContact O-N 2.91Å; H205-V209 VanDerWaalsContact O-N 3.1Å; L206-V209 WeakPolarHBondContact O-CB 3.45Å; L206-V209 PolarHBondContact O-N 2.81Å; L206-V209 VanDerWaalsContact O-N 3.11Å; V209-M212 PolarHBondContact O-N 3.46Å; V209-F213 HydrophobicContact CG1-CD2 3.71Å; V209-F213 HydrophobicContact CG1-CE2 3.69Å; V209-F213 VanDerWaalsContact O-CD2 3.3Å; V209-F213 WeakPolarHBondContact O-CD2 3.14Å; V209-F213 PolarHBondContact O-N 3.03Å; V209-I272 HydrophobicContact CG1-CD1 4.43Å; V209-L419 HydrophobicContact CG2-CD2 4.03Å; V209-I422 HydrophobicContact CG2-CD1 4.5Å
210V92.2Very high84Confident29 Ų2956.6 Ų56.618%0.17631%0.31CS..Hα-helixtrans-63.1-50177.41730000111.8M187 F190 L206 R207 L208 M212 F213 Q214M187-V210 HydrophobicContact CE-CB 4.45Å; M187-V210 HydrophobicContact CE-CG2 4.04Å; M187-V210 HydrophobicContact SD-CG1 4.14Å; F190-V210 HydrophobicContact CB-CG2 3.56Å; F190-V210 HydrophobicContact CD1-CG2 3.67Å; F190-V210 HydrophobicContact CG-CG2 3.68Å; L206-V210 WeakPolarHBondContact O-CG2 3.02Å; L206-V210 PolarHBondContact O-N 3.49Å; R207-V210 PolarHBondContact O-N 2.94Å; L208-V210 VanDerWaalsContact C-N 3.33Å; L208-V210 PolarHBondContact O-N 3.3Å; V210-M212 VanDerWaalsContact C-N 3.28Å; V210-M212 PolarHBondContact O-N 3.11Å; V210-F213 PolarHBondContact O-N 3.33Å; V210-Q214 HydrophobicContact CG1-CG 4.31Å; V210-Q214 VanDerWaalsContact CG1-NE2 3.32Å; V210-Q214 WeakPolarHBondContact O-CB 3.19Å; V210-Q214 WeakPolarHBondContact O-CG 3.49Å; V210-Q214 PolarHBondContact O-N 3.12Å
211D91.7Very high85.5Confident63 Ų6359 Ų5934%0.33732%0.319SS..Hα-helixtrans-55.3-44.2176.7174.581.8000111.5R146 R207 L208 Q214 N215R146-D211 IonicContact NH1-OD2 2.69Å; R146-D211 PolarHBondContact NH1-OD2 2.86Å; R207-D211 PolarHBondContact O-N 3.5Å; L208-D211 PolarHBondContact O-N 3.44Å; D211-Q214 PolarHBondContact O-N 3.33Å; D211-N215 VanDerWaalsContact O-CB 3.31Å; D211-N215 WeakPolarHBondContact O-CB 3.44Å; D211-N215 PolarHBondContact O-N 3.3Å; D211-N215 PolarHBondContact O-ND2 3.47Å; D211-N215 PolarHBondContact OD1-ND2 3.08Å; D211-N215 PolarHBondContact OD2-ND2 2.86Å
212M92.7Very high86.7Confident0 Ų058.8 Ų58.80%032%0.316CS..Hα-helixtrans-67.5-44.1-179.9-71-169.476.700112.6M144 R146 P151 L153 L208 V209 V210 Q214 N215 L216M144-M212 HydrophobicContact CE-CB 3.71Å; M144-M212 HydrophobicContact CG-CE 4.03Å; R146-M212 HydrophobicContact CB-CE 4.07Å; P151-M212 HydrophobicContact CG-SD 3.8Å; L153-M212 HydrophobicContact CD1-CB 4.37Å; L153-M212 HydrophobicContact CD1-SD 3.7Å; L153-M212 HydrophobicContact CD2-SD 3.73Å; L153-M212 HydrophobicContact CG-CE 4.33Å; L153-M212 HydrophobicContact CG-SD 3.46Å; L153-M212 WeakPolarHBondContact CG-SD 3.35Å; L208-M212 WeakPolarHBondContact O-CG 3.33Å; L208-M212 PolarHBondContact O-N 3.25Å; V209-M212 PolarHBondContact O-N 3.46Å; V210-M212 VanDerWaalsContact C-N 3.28Å; V210-M212 PolarHBondContact O-N 3.11Å; M212-Q214 VanDerWaalsContact C-N 3.34Å; M212-Q214 PolarHBondContact O-N 3.01Å; M212-N215 PolarHBondContact O-N 3.38Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 2.93Å; M212-L216 VanDerWaalsContact O-N 3.12Å
213F92.5Very high87.8Confident10 Ų1061.9 Ų61.94%0.04434%0.336CS..Hα-helixtrans-63.4-38.8176.1-84.7-64.6000112.5M144 F155 L185 M187 V209 V210 L216 V236 I274M144-F213 HydrophobicContact CE-CD1 4.39Å; M144-F213 HydrophobicContact CE-CD2 4.31Å; M144-F213 HydrophobicContact CE-CE1 4.28Å; M144-F213 HydrophobicContact CE-CE2 4.2Å; M144-F213 HydrophobicContact CE-CG 4.39Å; M144-F213 HydrophobicContact CE-CZ 4.18Å; M144-F213 HydrophobicContact SD-CE1 4.46Å; F155-F213 HydrophobicContact CZ-CE2 4.33Å; L185-F213 HydrophobicContact CD2-CB 4.39Å; L185-F213 WeakPolarHBondContact CD2-O 3.48Å; M187-F213 HydrophobicContact CE-CB 3.81Å; M187-F213 HydrophobicContact CE-CD2 4.07Å; M187-F213 HydrophobicContact CE-CG 4.23Å; M187-F213 HydrophobicContact SD-CB 4.11Å; V209-F213 HydrophobicContact CG1-CD2 3.71Å; V209-F213 HydrophobicContact CG1-CE2 3.69Å; V209-F213 VanDerWaalsContact O-CD2 3.3Å; V209-F213 WeakPolarHBondContact O-CD2 3.14Å; V209-F213 PolarHBondContact O-N 3.03Å; V210-F213 PolarHBondContact O-N 3.33Å; F213-L216 HydrophobicContact CD1-CD1 4.07Å; F213-L216 PolarHBondContact O-N 3.29Å; F213-V236 HydrophobicContact CD1-CG2 4.38Å; F213-V236 HydrophobicContact CE2-CG1 4.32Å; F213-V236 HydrophobicContact CZ-CG1 4.47Å; F213-I274 HydrophobicContact CE1-CD1 4.03Å; F213-I274 HydrophobicContact CZ-CD1 4.02Å
214Q92.2Very high88.5Confident110 Ų11067.4 Ų67.451%0.51436%0.357SS..Hα-helixtrans-64.6-44.9174.5-70.9178.2100111.7L185 M187 V210 D211 M212 L216 L217L185-Q214 HydrophobicContact CD2-CB 4.49Å; L185-Q214 HydrophobicContact CD2-CG 4Å; M187-Q214 HydrophobicContact SD-CG 4.18Å; V210-Q214 HydrophobicContact CG1-CG 4.31Å; V210-Q214 VanDerWaalsContact CG1-NE2 3.32Å; V210-Q214 WeakPolarHBondContact O-CB 3.19Å; V210-Q214 WeakPolarHBondContact O-CG 3.49Å; V210-Q214 PolarHBondContact O-N 3.12Å; D211-Q214 PolarHBondContact O-N 3.33Å; M212-Q214 VanDerWaalsContact C-N 3.34Å; M212-Q214 PolarHBondContact O-N 3.01Å; Q214-L216 VanDerWaalsContact C-N 3.26Å; Q214-L216 PolarHBondContact O-N 2.77Å; Q214-L217 PolarHBondContact O-N 3.21Å
215N92.2Very high88.7Confident49 Ų4965 Ų6526%0.26234%0.339SS..Hα-helixtrans-71.9-10.9179.9-77.2-69.2000114.5P29 H84 R146 D211 M212 L217P29-N215 WeakPolarHBondContact CB-O 3.33Å; H84-N215 PolarHBondContact CE1-O 3.34Å; H84-N215 PolarHBondContact ND1-O 3.39Å; R146-N215 PolarHBondContact NH1-ND2 3.16Å; D211-N215 VanDerWaalsContact O-CB 3.31Å; D211-N215 WeakPolarHBondContact O-CB 3.44Å; D211-N215 PolarHBondContact O-N 3.3Å; D211-N215 PolarHBondContact O-ND2 3.47Å; D211-N215 PolarHBondContact OD1-ND2 3.08Å; D211-N215 PolarHBondContact OD2-ND2 2.86Å; M212-N215 PolarHBondContact O-N 3.38Å; N215-L217 PolarHBondContact O-N 3.45Å
216L91Very high88.6Confident2 Ų271 Ų711%0.0136%0.364CS..THydrogen-bonded Turntrans-64.4-24.8170.4-69.2-170.1000113.2T31 F54 H84 L86 M144 M212 F213 Q214T31-L216 HydrophobicContact CG2-CB 4.46Å; T31-L216 HydrophobicContact CG2-CD2 4.18Å; F54-L216 HydrophobicContact CE1-CB 4.01Å; F54-L216 HydrophobicContact CE1-CD1 3.71Å; F54-L216 HydrophobicContact CZ-CD1 3.67Å; H84-L216 HydrophobicContact CB-CD2 3.61Å; L86-L216 HydrophobicContact CD1-CD1 4.45Å; L86-L216 HydrophobicContact CD1-CD2 3.78Å; L86-L216 HydrophobicContact CD2-CD1 4.47Å; M144-L216 HydrophobicContact CG-CD2 4.45Å; M144-L216 HydrophobicContact SD-CD1 3.73Å; M144-L216 HydrophobicContact SD-CD2 3.83Å; M144-L216 HydrophobicContact SD-CG 3.99Å; M212-L216 WeakPolarHBondContact O-CG 3.44Å; M212-L216 PolarHBondContact O-N 2.93Å; M212-L216 VanDerWaalsContact O-N 3.12Å; F213-L216 HydrophobicContact CD1-CD1 4.07Å; F213-L216 PolarHBondContact O-N 3.29Å; Q214-L216 VanDerWaalsContact C-N 3.26Å; Q214-L216 PolarHBondContact O-N 2.77Å
217L89.5Confident88.3Confident16 Ų1676.7 Ų76.78%0.08439%0.394CS..SBendtrans-121.5153-169.1-70.4166.3000111.2P29 F54 P183 L185 Q214 N215P29-L217 VanDerWaalsContact CG-C 3.48Å; P29-L217 WeakPolarHBondContact CG-O 3.29Å; F54-L217 HydrophobicContact CD1-CD2 3.93Å; F54-L217 HydrophobicContact CD1-CG 4.49Å; F54-L217 HydrophobicContact CE1-CD2 4.16Å; F54-L217 HydrophobicContact CE1-CG 4.27Å; P183-L217 HydrophobicContact CG-CD1 4.4Å; P183-L217 HydrophobicContact CG-CD2 3.83Å; L185-L217 HydrophobicContact CB-CD1 3.89Å; L185-L217 HydrophobicContact CD1-CD1 4.39Å; Q214-L217 PolarHBondContact O-N 3.21Å; N215-L217 PolarHBondContact O-N 3.45Å
218P88.2Confident87.9Confident37 Ų3771.1 Ų71.124%0.2438%0.384CS..PPolyproline II helixtrans-60.8136.2-179.5-22.933.3000112.3P29 F57 L220P29-P218 HydrophobicContact CG-CG 4.5Å; F57-P218 HydrophobicContact CD2-CG 3.78Å; F57-P218 HydrophobicContact CE1-CG 4.48Å; F57-P218 HydrophobicContact CE2-CG 3.56Å; F57-P218 HydrophobicContact CG-CG 4.34Å; F57-P218 HydrophobicContact CZ-CG 3.94Å; P218-L220 PolarHBondContact O-N 3.04Å
219P86.5Confident87.6Confident109 Ų10971.6 Ų71.671%0.70839%0.389SS*.PPolyproline II helixtrans-61.9121.5-176.623.5-33.8000111.8N221P219-N221 PolarHBondContact O-ND2 2.95Å
220L85.2Confident87.4Confident94 Ų9472.6 Ų72.649%0.49240%0.395SS..PPolyproline II helixtrans-85.6130.2-172-164.870000111.4L184 P218 L225L184-L220 HydrophobicContact CD2-CD1 3.88Å; L184-L220 HydrophobicContact CD2-CD2 3.91Å; P218-L220 PolarHBondContact O-N 3.04Å; L220-L225 HydrophobicContact CD1-CD1 3.88Å; L220-L225 HydrophobicContact CD1-CD2 3.99Å; L220-L225 HydrophobicContact CD1-CG 4.47Å; L220-L225 HydrophobicContact CD2-CD2 4.16Å; L220-L225 HydrophobicContact CG-CD2 4.34Å
221N85.5Confident87.2Confident102 Ų10275 Ų7555%0.54540%0.403SS..  trans-109.795.6173.6-74.1-106.8000108.4P219 K224 L225P219-N221 PolarHBondContact O-ND2 2.95Å; N221-K224 HydrophobicContact CB-CB 4.33Å; N221-K224 PolarHBondContact O-N 3.48Å; N221-L225 PolarHBondContact O-N 3.42Å
222V84.1Confident87.3Confident107 Ų10772 Ų7265%0.64839%0.387SS*.G310 helixtrans-52-48.4-171.1-175.60000112.9K224 L225V222-K224 PolarHBondContact O-N 3.2Å; V222-L225 VanDerWaalsContact O-CB 3.31Å; V222-L225 WeakPolarHBondContact O-CB 3.16Å; V222-L225 PolarHBondContact O-N 2.89Å; V222-L225 VanDerWaalsContact O-N 3.11Å
223P86.4Confident87.3Confident132 Ų13272.5 Ų72.586%0.85739%0.391SS*.G310 helixtrans-67.9-8.9-178.6-20.534.3000115.1
224K86.1Confident87.4Confident179 Ų17972.2 Ų72.278%0.77839%0.389SS*.G310 helixtrans-111.75.2179.9-66.1174.9-178.6169.10112N221 V222N221-K224 HydrophobicContact CB-CB 4.33Å; N221-K224 PolarHBondContact O-N 3.48Å; V222-K224 PolarHBondContact O-N 3.2Å
225L83.8Confident87.5Confident49 Ų4969 Ų6926%0.25738%0.375SS..  trans-83120.2-176-176.158.1000111.6L220 N221 V222 L227 V230L220-L225 HydrophobicContact CD1-CD1 3.88Å; L220-L225 HydrophobicContact CD1-CD2 3.99Å; L220-L225 HydrophobicContact CD1-CG 4.47Å; L220-L225 HydrophobicContact CD2-CD2 4.16Å; L220-L225 HydrophobicContact CG-CD2 4.34Å; N221-L225 PolarHBondContact O-N 3.42Å; V222-L225 VanDerWaalsContact O-CB 3.31Å; V222-L225 WeakPolarHBondContact O-CB 3.16Å; V222-L225 PolarHBondContact O-N 2.89Å; V222-L225 VanDerWaalsContact O-N 3.11Å; L225-L227 PolarHBondContact O-N 3.26Å; L225-V230 HydrophobicContact CD1-CG2 3.92Å; L225-V230 HydrophobicContact CD2-CG2 3.8Å; L225-V230 HydrophobicContact CG-CG2 3.93Å
226K84.2Confident87.7Confident154 Ų15466.6 Ų66.667%0.6736%0.363SS*.  trans-82.6112.7172.8-66.7-175.7179.2-176.30109.7S228 T229K226-S228 PolarHBondContact O-N 3.35Å; K226-T229 HydrophobicContact CB-CG2 4.18Å; K226-T229 WeakPolarHBondContact O-CB 3.48Å; K226-T229 PolarHBondContact O-N 3.11Å; K226-T229 PolarHBondContact O-OG1 3.06Å
227L79.9Confident87.8Confident121 Ų12167.4 Ų67.463%0.63437%0.369SS*.G310 helixtrans-51.2-33.4-179.2-59.8-179.7000113.4L225 T229 V230L225-L227 PolarHBondContact O-N 3.26Å; L227-T229 PolarHBondContact O-N 3.24Å; L227-T229 VanDerWaalsContact O-N 3.16Å; L227-V230 WeakPolarHBondContact O-CB 3.28Å; L227-V230 PolarHBondContact O-N 3.46Å
228S80.4Confident87.8Confident70 Ų7067.3 Ų67.349%0.4937%0.367SS..G310 helixtrans-66.3-11.7176.157.40000115.6K226 K231K226-S228 PolarHBondContact O-N 3.35Å; S228-K231 WeakPolarHBondContact O-CE 3.3Å
229T84.5Confident87.8Confident70 Ų7069.8 Ų69.843%0.42938%0.375SS..G310 helixtrans-91.2-19.2171.363.30000113S181 K226 L227 K231S181-T229 VanDerWaalsContact CB-O 3.28Å; S181-T229 WeakPolarHBondContact CB-O 3.2Å; K226-T229 HydrophobicContact CB-CG2 4.18Å; K226-T229 WeakPolarHBondContact O-CB 3.48Å; K226-T229 PolarHBondContact O-N 3.11Å; K226-T229 PolarHBondContact O-OG1 3.06Å; L227-T229 PolarHBondContact O-N 3.24Å; L227-T229 VanDerWaalsContact O-N 3.16Å; T229-K231 PolarHBondContact O-N 2.76Å
230V86.9Confident87.7Confident21 Ų2166.7 Ų66.713%0.12736%0.355CS..  trans-81.8113.1177.1177.40000108.8L184 L225 L227 I279L184-V230 HydrophobicContact CD1-CB 4.37Å; L184-V230 HydrophobicContact CD1-CG1 3.49Å; L184-V230 VanDerWaalsContact CD1-CG1 3.49Å; L184-V230 HydrophobicContact CD1-CG2 3.93Å; L184-V230 HydrophobicContact CD2-CG2 4.34Å; L184-V230 HydrophobicContact CG-CG1 3.97Å; L184-V230 HydrophobicContact CG-CG2 4.33Å; L225-V230 HydrophobicContact CD1-CG2 3.92Å; L225-V230 HydrophobicContact CD2-CG2 3.8Å; L225-V230 HydrophobicContact CG-CG2 3.93Å; L227-V230 WeakPolarHBondContact O-CB 3.28Å; L227-V230 PolarHBondContact O-N 3.46Å; V230-I279 HydrophobicContact CG1-CD1 3.57Å
231K88.8Confident87.1Confident79 Ų7966.1 Ų66.134%0.34335%0.352SS..  trans-136.3-13.1-179-59.9-176-175.21720114.3Q178 S228 T229 H278 I279Q178-K231 HydrophobicContact CG-CD 4.48Å; S228-K231 WeakPolarHBondContact O-CE 3.3Å; T229-K231 PolarHBondContact O-N 2.76Å; K231-H278 WeakPolarHBondContact O-CA 3.5Å; K231-H278 PolarHBondContact O-ND1 2.82Å; K231-I279 PolarHBondContact O-N 2.88Å
232R92.8Very high86.2Confident0 Ų065.1 Ų65.10%035%0.35CS..EExtended strand (participates in β ladder)trans-141.2147.2-175.1-60-169.7-63.9126.9-10.7109.5E52 I53 E55 Q178 Y179 S181 P183 L184 H276 F277 I411E52-R232 PolarHBondContact O-NH1 3.28Å; E52-R232 VanDerWaalsContact O-NH1 3.17Å; I53-R232 PolarHBondContact O-NH1 2.94Å; I53-R232 PolarHBondContact O-NH2 2.9Å; E55-R232 PolarHBondContact O-NH2 2.96Å; Q178-R232 PolarHBondContact O-NE 3.33Å; Q178-R232 VanDerWaalsContact O-NE 3.15Å; Y179-R232 PolarHBondContact O-NH2 3.21Å; S181-R232 VanDerWaalsContact O-CZ 3.32Å; S181-R232 PolarHBondContact O-NE 3.1Å; S181-R232 VanDerWaalsContact O-NE 3.1Å; S181-R232 PolarHBondContact O-NH2 2.85Å; P183-R232 WeakPolarHBondContact CA-O 3.31Å; P183-R232 HydrophobicContact CB-CB 4.25Å; L184-R232 PolarHBondContact N-O 2.71Å; R232-H276 PolarHBondContact NH1-CE1 3.25Å; R232-H276 PolarHBondContact NH1-NE2 3.12Å; R232-F277 CarbonylContact C-O 3.47Å; R232-F277 WeakPolarHBondContact CA-O 3.31Å; R232-I411 HydrophobicContact CG-CD1 4.1Å
233V92.9Very high84.9Confident12 Ų1264.2 Ų64.27%0.07335%0.353CS..EExtended strand (participates in β ladder)trans-137.4136175.859.30000110.1L184 V186 H276 F277 I279 L408L184-V233 HydrophobicContact CB-CG2 4.45Å; L184-V233 CarbonylContact O-C 3.58Å; L184-V233 WeakPolarHBondContact O-CA 3.09Å; V186-V233 HydrophobicContact CB-CG2 4.26Å; V186-V233 HydrophobicContact CG2-CG2 3.57Å; V233-H276 WeakPolarHBondContact O-CA 3.29Å; V233-F277 HydrophobicContact CG1-CB 3.85Å; V233-F277 HydrophobicContact CG1-CD2 4.31Å; V233-F277 PolarHBondContact N-O 2.96Å; V233-F277 PolarHBondContact O-N 3.1Å; V233-I279 HydrophobicContact CB-CD1 3.93Å; V233-I279 HydrophobicContact CB-CG1 4.4Å; V233-I279 HydrophobicContact CG1-CD1 4.03Å; V233-I279 HydrophobicContact CG1-CG1 3.98Å; V233-L408 HydrophobicContact CG1-CD2 4.11Å
234L94.2Very high83.3Confident3 Ų367.3 Ų67.32%0.01635%0.349CS..EExtended strand (participates in β ladder)trans-103.1107.6172.6-178.862.1000107.2I53 F54 P183 L184 L185 V186 V236 I274 H276I53-L234 HydrophobicContact CG2-CD1 3.91Å; I53-L234 HydrophobicContact CG2-CD2 4.16Å; I53-L234 HydrophobicContact CG2-CG 4.47Å; F54-L234 HydrophobicContact CE1-CD2 4.13Å; F54-L234 HydrophobicContact CZ-CD2 3.77Å; P183-L234 HydrophobicContact CB-CB 4.25Å; L184-L234 PolarHBondContact O-N 2.84Å; L185-L234 HydrophobicContact CD1-CD2 4.29Å; L185-L234 HydrophobicContact CD1-CG 4.42Å; V186-L234 PolarHBondContact N-O 3.33Å; L234-V236 HydrophobicContact CG-CG2 4.42Å; L234-I274 HydrophobicContact CD1-CG2 3.58Å; L234-H276 HydrophobicContact CD1-CB 4.43Å
235L95.1Very high81.4Confident42 Ų4261.3 Ų61.322%0.2233%0.329CS..EExtended strand (participates in β ladder)trans-86.7128.6171.3177.663.1000108.7V186 I274 R275 F277V186-L235 HydrophobicContact CB-CD1 4.09Å; V186-L235 HydrophobicContact CG1-CD1 3.71Å; L235-I274 WeakPolarHBondContact O-CA 3.34Å; L235-R275 PolarHBondContact N-O 3.06Å; L235-R275 PolarHBondContact O-N 2.85Å; L235-F277 HydrophobicContact CB-CD2 4.42Å; L235-F277 HydrophobicContact CB-CE2 3.89Å; L235-F277 HydrophobicContact CD2-CE2 3.99Å; L235-F277 HydrophobicContact CD2-CZ 4.47Å
236V95Very high79.7Confident0 Ų065 Ų650%035%0.349CS..EExtended strand (participates in β ladder)trans-117.5101.4166.6-171.40000106.6L185 V186 M187 T188 F190 F213 L234 I272 Y273 I274L185-V236 HydrophobicContact CD1-CG2 3.9Å; V186-V236 PolarHBondContact O-N 3.17Å; M187-V236 WeakPolarHBondContact CA-O 3.47Å; M187-V236 HydrophobicContact CE-CB 4.46Å; M187-V236 HydrophobicContact CE-CG1 4.41Å; T188-V236 PolarHBondContact N-O 2.85Å; F190-V236 HydrophobicContact CE2-CB 4.34Å; F190-V236 HydrophobicContact CE2-CG1 3.77Å; F190-V236 HydrophobicContact CZ-CG1 3.68Å; F213-V236 HydrophobicContact CD1-CG2 4.38Å; F213-V236 HydrophobicContact CE2-CG1 4.32Å; F213-V236 HydrophobicContact CZ-CG1 4.47Å; L234-V236 HydrophobicContact CG-CG2 4.42Å; V236-I272 HydrophobicContact CG1-CG2 3.53Å; V236-Y273 WeakPolarHBondContact CA-O 3.32Å; V236-I274 HydrophobicContact CG1-CG1 4.37Å; V236-I274 HydrophobicContact CG2-CG1 4.47Å
237S93.8Very high77.9Confident19 Ų1963.8 Ų63.813%0.13336%0.355CS..EExtended strand (participates in β ladder)trans-96.9141.1173.1-167.60000109.7T188 E239 I272 Y273T188-S237 VanDerWaalsContact OG1-CA 3.25Å; T188-S237 WeakPolarHBondContact OG1-CA 3.49Å; T188-S237 VanDerWaalsContact OG1-CB 3.3Å; T188-S237 WeakPolarHBondContact OG1-CB 3.44Å; T188-S237 PolarHBondContact OG1-OG 2.65Å; T188-S237 VanDerWaalsContact OG1-OG 3.1Å; S237-E239 PolarHBondContact OG-OE1 2.88Å; S237-I272 CarbonylContact O-C 3.57Å; S237-I272 WeakPolarHBondContact O-CA 3.35Å; S237-Y273 PolarHBondContact N-O 2.77Å; S237-Y273 PolarHBondContact O-N 3.05Å
238R90.5Very high76.2Confident14 Ų1464 Ų645%0.05336%0.362CS..EExtended strand (participates in β ladder)trans-117.1121.9170.6175.1174.2171.6-90.5-1.4108.7T188 G189 F190 M192 V240 D270 I272T188-R238 PolarHBondContact O-N 3.01Å; G189-R238 WeakPolarHBondContact CA-O 3.21Å; G189-R238 PolarHBondContact O-NH1 3.1Å; F190-R238 HydrophobicContact CD1-CB 4.39Å; F190-R238 HydrophobicContact CD2-CB 4.14Å; F190-R238 HydrophobicContact CE1-CB 4.11Å; F190-R238 HydrophobicContact CE2-CB 3.83Å; F190-R238 HydrophobicContact CG-CB 4.41Å; F190-R238 HydrophobicContact CZ-CB 3.81Å; M192-R238 PolarHBondContact O-NH1 2.91Å; R238-V240 HydrophobicContact CG-CG2 4.36Å; R238-V240 VanDerWaalsContact CZ-CG2 3.43Å; R238-D270 IonicContact CZ-OD2 3.59Å; R238-D270 VanDerWaalsContact NE-CG 3.29Å; R238-D270 IonicContact NE-OD1 3.29Å; R238-D270 PolarHBondContact NE-OD1 2.83Å; R238-D270 VanDerWaalsContact NE-OD1 3.16Å; R238-D270 IonicContact NE-OD2 2.67Å; R238-D270 PolarHBondContact NE-OD2 3.46Å; R238-D270 IonicContact NH2-OD2 3.68Å; R238-D270 PolarHBondContact NH2-OD2 3.28Å; R238-I272 HydrophobicContact CB-CG1 4.3Å; R238-I272 HydrophobicContact CG-CG1 4.25Å
239E87.5Confident74.5Confident88 Ų8866 Ų6641%0.41137%0.371SS..EExtended strand (participates in β ladder)trans-114.1146.6173.4-75.8136.3-121.600108.5S237 V271 Y273S237-E239 PolarHBondContact OG-OE1 2.88Å; E239-V271 PolarHBondContact N-O 3.2Å; E239-V271 PolarHBondContact O-N 3.11Å; E239-Y273 HydrophobicContact CB-CE2 4.12Å; E239-Y273 HydrophobicContact CG-CE2 4.5Å; E239-Y273 VanDerWaalsContact OE2-CE2 3.28Å; E239-Y273 WeakPolarHBondContact OE2-CE2 3.48Å
240V83.6Confident72.7Confident45 Ų4569.9 Ų69.927%0.27339%0.389SS..EExtended strand (participates in β ladder)trans-130.7101.5-172.6-176.80000107.4R238 T242 V268R238-V240 HydrophobicContact CG-CG2 4.36Å; R238-V240 VanDerWaalsContact CZ-CG2 3.43Å; V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 3.36Å; V240-T242 PolarHBondContact O-OG1 3.09Å; V240-V268 HydrophobicContact CG1-CG1 3.49Å; V240-V268 VanDerWaalsContact CG1-CG1 3.49Å
241D74Confident70.7Confident81 Ų8176.5 Ų76.543%0.43342%0.424SS..EExtended strand (participates in β ladder)trans-68.488-178.4-65.5-33.7000110.1A243 N269D241-A243 VanDerWaalsContact C-N 3.25Å; D241-N269 HydrophobicContact CB-CB 3.91Å; D241-N269 PolarHBondContact N-O 3Å; D241-N269 VanDerWaalsContact N-O 3.12Å
242T66.7Low68.8Low81 Ų8181 Ų8150%0.49745%0.452SS..  trans-84.7-4.5-177.7-51.10000111.2V240 Y244 C245V240-T242 VanDerWaalsContact C-N 3.28Å; V240-T242 PolarHBondContact O-N 3.36Å; V240-T242 PolarHBondContact O-OG1 3.09Å; T242-Y244 PolarHBondContact O-N 2.9Å; T242-C245 VanDerWaalsContact CG2-SG 3.53Å; T242-C245 PolarHBondContact O-N 3.43Å; T242-C245 PolarHBondContact O-SG 2.93Å
243A55.9Low66.9Low88 Ų8886.6 Ų86.673%0.72749%0.491SS*.THydrogen-bonded Turntrans-64.61.2-173.500000116.2D241D241-A243 VanDerWaalsContact C-N 3.25Å
244Y53.4Low64.5Low197 Ų19790 Ų9077%0.77353%0.528SS*.THydrogen-bonded Turntrans-113.28.6-179.7-73.9-80.5000114.6T242T242-Y244 PolarHBondContact O-N 2.9Å
245C46.1Very low61.9Low53 Ų5396 Ų9636%0.35857%0.568SS.*SBendtrans-113.9-2.5178.965.60000116.2T242T242-C245 VanDerWaalsContact CG2-SG 3.53Å; T242-C245 PolarHBondContact O-N 3.43Å; T242-C245 PolarHBondContact O-SG 2.93Å
246N48.4Very low59.6Low126 Ų126100.1 Ų100.167%0.67460%0.596SS**  trans-100.97.4-171.6-7116.1000114.9T248N246-T248 VanDerWaalsContact C-N 3.26Å; N246-T248 PolarHBondContact O-N 3.3Å
247T44.9Very low57.3Low130 Ų130104.7 Ų104.780%0.79863%0.628SS**SBendtrans-89.441.8-178.6-24.80000112.6
248T45.4Very low54.8Low125 Ų125110.6 Ų110.677%0.76766%0.658SS**  trans-151.447.1-178.9-38.90000112.4N246N246-T248 VanDerWaalsContact C-N 3.26Å; N246-T248 PolarHBondContact O-N 3.3Å
249T44.7Very low52.7Low113 Ų113117.6 Ų117.669%0.69370%0.696SS**SBendtrans-141.1125.3167.449.60000110.4
250N46.6Very low51.1Low150 Ų150118.7 Ų118.780%0.80271%0.709SS**  trans64.881162-49.9-13.7000117
251D43.9Very low49.2Very low160 Ų160126.4 Ų126.486%0.85674%0.739SS**  trans-151133.6135.8-104.7-35.5000110.1S253D251-S253 PolarHBondContact O-N 2.98Å
252N50.1Low47.9Very low175 Ų175130.8 Ų130.894%0.93676%0.757SS**  trans-92.691.1-170.9-75.2-47.1000111.8
253S52.9Low46.6Very low117 Ų117134.2 Ų134.282%0.81877%0.772SS**  trans-147.3133.8161.462.20000109.6D251D251-S253 PolarHBondContact O-N 2.98Å
254G41.8Very low46Very low82 Ų82138.3 Ų138.385%0.84578%0.777SS**  trans-114.2144.4-167.700000113.9
255C40Very low45.7Very low129 Ų129134 Ų13487%0.87277%0.772SS**  trans-145.6143.4150.855.40000111.3
256T46.8Very low46Very low129 Ų129138 Ų13879%0.79179%0.786SS**  trans-48.4132.3-175.847.60000116.9
257S46.4Very low46.4Very low97 Ų97138.8 Ų138.868%0.67879%0.786SS**  trans47.3114.2139.2630000120.6
258D41.3Very low47.3Very low142 Ų142136.8 Ų136.876%0.75977%0.773SS**  trans-159.483.7134.2-144.44.2000112.3T260D258-T260 PolarHBondContact O-N 3.01Å
259D46.5Very low48.7Very low161 Ų161133.6 Ų133.686%0.86175%0.751SS**THydrogen-bonded Turntrans-8171.7-169.5-74.3-66.2000114.5
260T53.5Low50.6Low111 Ų111128.7 Ų128.768%0.68172%0.721SS**THydrogen-bonded Turntrans-138.5-4.6173.2260000117.2D258 Q262D258-T260 PolarHBondContact O-N 3.01Å; T260-Q262 VanDerWaalsContact C-N 3.33Å; T260-Q262 PolarHBondContact O-N 3.42Å
261K44.6Very low52.7Low208 Ų208122.3 Ų122.390%0.90469%0.687SS**  trans-8862.7-177.9-72.7171.6-174.8158.20113.2N263K261-N263 PolarHBondContact O-N 3.4Å
262Q46Very low55.1Low172 Ų172114.7 Ų114.780%0.80465%0.646SS**  trans-65.3114.5179.1-65.1-175.12.700112.7T260T260-Q262 VanDerWaalsContact C-N 3.33Å; T260-Q262 PolarHBondContact O-N 3.42Å
263N38.9Very low57.2Low154 Ų154109.5 Ų109.582%0.82461%0.614SS**  trans48.167.5150.4-61.1-25000118.1K261K261-N263 PolarHBondContact O-N 3.4Å
264Q42.8Very low59.3Low174 Ų174104.7 Ų104.781%0.81358%0.579SS**PPolyproline II helixtrans-70.3125.8147.8-81-165.530.100109.1Q266Q264-Q266 PolarHBondContact O-N 3.16Å
265P47.5Very low61.8Low106 Ų106105 Ų10569%0.68856%0.555SS**PPolyproline II helixtrans-67.3119.7176.426.9-32.9000110Q267P265-Q267 PolarHBondContact O-N 3.2Å
266Q53.6Low64.3Low136 Ų13699 Ų9964%0.63651%0.514SS*.PPolyproline II helixtrans-53.1126.4178.6-70.4165.4-32.300110.3Q264 V268Q264-Q266 PolarHBondContact O-N 3.16Å; Q266-V268 VanDerWaalsContact C-N 3.35Å; Q266-V268 PolarHBondContact O-N 3.03Å
267Q55.4Low66.6Low144 Ų14494.2 Ų94.267%0.67348%0.482SS*.  trans-78.980.7-169.3-64.8-170.543.500111.8P265 N269P265-Q267 PolarHBondContact O-N 3.2Å; Q267-N269 PolarHBondContact O-N 2.83Å; Q267-N269 VanDerWaalsContact O-N 3.09Å
268V65.5Low68.7Low87 Ų8791 Ų9153%0.52746%0.457SS..  trans-55.9114.9175179.80000110.1V240 Q266 D270V240-V268 HydrophobicContact CG1-CG1 3.49Å; V240-V268 VanDerWaalsContact CG1-CG1 3.49Å; Q266-V268 VanDerWaalsContact C-N 3.35Å; Q266-V268 PolarHBondContact O-N 3.03Å; V268-D270 PolarHBondContact O-N 2.78Å
269N73.3Confident71Confident59 Ų5985.3 Ų85.332%0.31643%0.426SS..EExtended strand (participates in β ladder)trans-85.882.7-179.8-87-32.9000110.9D241 Q267 R435D241-N269 HydrophobicContact CB-CB 3.91Å; D241-N269 PolarHBondContact N-O 3Å; D241-N269 VanDerWaalsContact N-O 3.12Å; Q267-N269 PolarHBondContact O-N 2.83Å; Q267-N269 VanDerWaalsContact O-N 3.09Å; N269-R435 PolarHBondContact OD1-NH2 2.83Å
270D84.6Confident72.9Confident9 Ų983.9 Ų83.95%0.04841%0.408CS..EExtended strand (participates in β ladder)trans-74.4118.8169.3-165.2-42.1000109.7R238 V268 R435R238-D270 IonicContact CZ-OD2 3.59Å; R238-D270 VanDerWaalsContact NE-CG 3.29Å; R238-D270 IonicContact NE-OD1 3.29Å; R238-D270 PolarHBondContact NE-OD1 2.83Å; R238-D270 VanDerWaalsContact NE-OD1 3.16Å; R238-D270 IonicContact NE-OD2 2.67Å; R238-D270 PolarHBondContact NE-OD2 3.46Å; R238-D270 IonicContact NH2-OD2 3.68Å; R238-D270 PolarHBondContact NH2-OD2 3.28Å; V268-D270 PolarHBondContact O-N 2.78Å; D270-R435 PolarHBondContact O-NH1 2.63Å
271V91Very high74.1Confident16 Ų1681.9 Ų81.910%0.09740%0.396CS..EExtended strand (participates in β ladder)trans-130.2128-179.5-175.50000109.7E239 Y273E239-V271 PolarHBondContact N-O 3.2Å; E239-V271 PolarHBondContact O-N 3.11Å; V271-Y273 HydrophobicContact CB-CE2 4.1Å; V271-Y273 HydrophobicContact CG1-CD2 4.25Å; V271-Y273 HydrophobicContact CG1-CE1 4.42Å; V271-Y273 HydrophobicContact CG1-CE2 3.63Å
272I93.8Very high75.6Confident1 Ų173.7 Ų73.71%0.00536%0.361CS..EExtended strand (participates in β ladder)trans-110.7113.4-179-59.5170.2000109.7F155 F190 V209 V236 S237 R238 L417F155-I272 HydrophobicContact CE1-CD1 4.07Å; F190-I272 HydrophobicContact CE1-CD1 4.15Å; F190-I272 HydrophobicContact CZ-CD1 4.28Å; F190-I272 HydrophobicContact CZ-CG1 4.36Å; F190-I272 HydrophobicContact CZ-CG2 4.13Å; V209-I272 HydrophobicContact CG1-CD1 4.43Å; V236-I272 HydrophobicContact CG1-CG2 3.53Å; S237-I272 CarbonylContact O-C 3.57Å; S237-I272 WeakPolarHBondContact O-CA 3.35Å; R238-I272 HydrophobicContact CB-CG1 4.3Å; R238-I272 HydrophobicContact CG-CG1 4.25Å; I272-L417 HydrophobicContact CB-CB 4.32Å; I272-L417 WeakPolarHBondContact CB-O 3.48Å; I272-L417 PolarHBondContact N-O 2.9Å; I272-L417 PolarHBondContact O-N 3.46Å
273Y95.6Very high76.5Confident66 Ų6666.5 Ų66.526%0.25933%0.328SS..EExtended strand (participates in β ladder)trans-89.7120.8176.5-63.7-91.1000110.7V236 S237 E239 V271 T416V236-Y273 WeakPolarHBondContact CA-O 3.32Å; S237-Y273 PolarHBondContact N-O 2.77Å; S237-Y273 PolarHBondContact O-N 3.05Å; E239-Y273 HydrophobicContact CB-CE2 4.12Å; E239-Y273 HydrophobicContact CG-CE2 4.5Å; E239-Y273 VanDerWaalsContact OE2-CE2 3.28Å; E239-Y273 WeakPolarHBondContact OE2-CE2 3.48Å; V271-Y273 HydrophobicContact CB-CE2 4.1Å; V271-Y273 HydrophobicContact CG1-CD2 4.25Å; V271-Y273 HydrophobicContact CG1-CE1 4.42Å; V271-Y273 HydrophobicContact CG1-CE2 3.63Å; Y273-T416 HydrophobicContact CD1-CG2 3.51Å; Y273-T416 HydrophobicContact CE1-CG2 3.51Å
274I95.4Very high77.9Confident15 Ų1563.3 Ų63.38%0.07730%0.304CS..EExtended strand (participates in β ladder)trans-105.3122171-59.2-173.2000109.3F213 L234 L235 V236 I415 L417F213-I274 HydrophobicContact CE1-CD1 4.03Å; F213-I274 HydrophobicContact CZ-CD1 4.02Å; L234-I274 HydrophobicContact CD1-CG2 3.58Å; L235-I274 WeakPolarHBondContact O-CA 3.34Å; V236-I274 HydrophobicContact CG1-CG1 4.37Å; V236-I274 HydrophobicContact CG2-CG1 4.47Å; I274-I415 HydrophobicContact CB-CB 4.46Å; I274-I415 PolarHBondContact N-O 3.29Å; I274-I415 PolarHBondContact O-N 3.04Å; I274-I415 VanDerWaalsContact O-N 3.09Å; I274-L417 HydrophobicContact CD1-CD1 3.54Å; I274-L417 HydrophobicContact CD1-CG 4.46Å; I274-L417 HydrophobicContact CG1-CD1 4.3Å
275R94.7Very high78.9Confident89 Ų8958.3 Ų58.334%0.33629%0.288SS..EExtended strand (participates in β ladder)trans-132.3146.3176.4-61.4-171.9-174.8-136.310.9111L235 F277 E410L235-R275 PolarHBondContact N-O 3.06Å; L235-R275 PolarHBondContact O-N 2.85Å; R275-F277 HydrophobicContact CB-CD2 4.42Å; R275-F277 HydrophobicContact CB-CE2 3.58Å; R275-F277 HydrophobicContact CB-CZ 3.85Å; R275-E410 IonicContact NH1-OE1 2.65Å; R275-E410 PolarHBondContact NH1-OE1 2.64Å
276H93.6Very high79.7Confident3 Ų355.3 Ų55.31%0.01427%0.265CS..EExtended strand (participates in β ladder)trans-127.9120.9-176.3173.3-133.9000110.6R232 V233 L234 I411 G412R232-H276 PolarHBondContact NH1-CE1 3.25Å; R232-H276 PolarHBondContact NH1-NE2 3.12Å; V233-H276 WeakPolarHBondContact O-CA 3.29Å; L234-H276 HydrophobicContact CD1-CB 4.43Å; H276-I411 VanDerWaalsContact CE1-CD1 3.46Å; H276-I411 WeakPolarHBondContact CE1-CD1 3.4Å; H276-I411 PolarHBondContact O-N 3.35Å; H276-G412 PolarHBondContact ND1-O 2.8Å; H276-G412 PolarHBondContact O-N 2.9Å
277F93.6Very high80.3Confident29 Ų2951.9 Ų51.913%0.12726%0.257CS..EExtended strand (participates in β ladder)trans-122149.5-173.6-51.9-97.9000112R232 V233 L235 R275 L408 T409 E410 I411R232-F277 CarbonylContact C-O 3.47Å; R232-F277 WeakPolarHBondContact CA-O 3.31Å; V233-F277 HydrophobicContact CG1-CB 3.85Å; V233-F277 HydrophobicContact CG1-CD2 4.31Å; V233-F277 PolarHBondContact N-O 2.96Å; V233-F277 PolarHBondContact O-N 3.1Å; L235-F277 HydrophobicContact CB-CD2 4.42Å; L235-F277 HydrophobicContact CB-CE2 3.89Å; L235-F277 HydrophobicContact CD2-CE2 3.99Å; L235-F277 HydrophobicContact CD2-CZ 4.47Å; R275-F277 HydrophobicContact CB-CD2 4.42Å; R275-F277 HydrophobicContact CB-CE2 3.58Å; R275-F277 HydrophobicContact CB-CZ 3.85Å; F277-L408 HydrophobicContact CB-CB 4.23Å; F277-L408 HydrophobicContact CB-CD2 4.24Å; F277-L408 HydrophobicContact CD1-CB 4.08Å; F277-L408 HydrophobicContact CD1-CD1 4.46Å; F277-L408 HydrophobicContact CG-CB 4.4Å; F277-L408 HydrophobicContact CG-CD1 4.39Å; F277-T409 WeakPolarHBondContact CA-O 3.46Å; F277-E410 HydrophobicContact CD1-CB 4.42Å; F277-E410 HydrophobicContact CD1-CG 3.61Å; F277-E410 HydrophobicContact CE1-CG 3.44Å; F277-E410 VanDerWaalsContact CE1-CG 3.44Å; F277-E410 HydrophobicContact CZ-CG 4.39Å; F277-I411 VanDerWaalsContact C-CD1 3.47Å
278H91.7Very high80.6Confident30 Ų3051.1 Ų51.114%0.13925%0.248CC..EExtended strand (participates in β ladder)trans-85.9131.3165.4171.731.8000109.4F174 Q178 K231 L408 T409 I411F174-H278 HydrophobicContact CD2-CB 4.44Å; F174-H278 HydrophobicContact CE2-CB 4.11Å; Q178-H278 VanDerWaalsContact CD-CE1 3.47Å; Q178-H278 PolarHBondContact NE2-CE1 3.01Å; Q178-H278 PolarHBondContact NE2-NE2 3.22Å; Q178-H278 VanDerWaalsContact NE2-NE2 3.13Å; Q178-H278 PolarHBondContact OE1-CE1 3.05Å; Q178-H278 VanDerWaalsContact OE1-CG 3.25Å; Q178-H278 PolarHBondContact OE1-ND1 3.37Å; K231-H278 WeakPolarHBondContact O-CA 3.5Å; K231-H278 PolarHBondContact O-ND1 2.82Å; H278-L408 WeakPolarHBondContact O-CA 3.38Å; H278-T409 PolarHBondContact N-O 2.84Å; H278-T409 PolarHBondContact O-N 3.1Å; H278-T409 VanDerWaalsContact O-N 3.08Å; H278-I411 HydrophobicContact CB-CD1 3.93Å; H278-I411 HydrophobicContact CB-CG1 3.91Å
279I89.9Confident80.5Confident21 Ų2149.6 Ų49.611%0.10824%0.244CC..EExtended strand (participates in β ladder)trans-88.6112.9169.2-69.4168000109V230 K231 V233 T281 I406 L408V230-I279 HydrophobicContact CG1-CD1 3.57Å; K231-I279 PolarHBondContact O-N 2.88Å; V233-I279 HydrophobicContact CB-CD1 3.93Å; V233-I279 HydrophobicContact CB-CG1 4.4Å; V233-I279 HydrophobicContact CG1-CD1 4.03Å; V233-I279 HydrophobicContact CG1-CG1 3.98Å; I279-T281 HydrophobicContact CG2-CG2 4.17Å; I279-I406 HydrophobicContact CG2-CG2 4.23Å; I279-L408 HydrophobicContact CG1-CD2 3.78Å
280R85Confident80Confident132 Ų13251.5 Ų51.550%0.49825%0.253SS..EExtended strand (participates in β ladder)trans-102114.4166.3-176.2-171.6-167.5-159.712.9109E282 R407R280-E282 HydrophobicContact CG-CG 4.47Å; R280-E282 IonicContact CZ-OE1 3.65Å; R280-E282 IonicContact NE-OE1 2.68Å; R280-E282 IonicContact NH1-OE1 2.76Å; R280-E282 PolarHBondContact NH1-OE1 3.29Å; R280-R407 HydrophobicContact CB-CB 4.29Å; R280-R407 PolarHBondContact N-O 2.94Å; R280-R407 PolarHBondContact O-N 2.74Å
281T80.2Confident79.1Confident69 Ų6954.7 Ų54.742%0.42327%0.265SS..EExtended strand (participates in β ladder)trans-86.4130.1171.947.90000110.9I279I279-T281 HydrophobicContact CG2-CG2 4.17Å
282E74.8Confident77.7Confident35 Ų3560 Ų6016%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-121.2124.3173.2-68.5-174.6-149.800110.1R280 R284 T405 R407R280-E282 HydrophobicContact CG-CG 4.47Å; R280-E282 IonicContact CZ-OE1 3.65Å; R280-E282 IonicContact NE-OE1 2.68Å; R280-E282 IonicContact NH1-OE1 2.76Å; R280-E282 PolarHBondContact NH1-OE1 3.29Å; E282-R284 PolarHBondContact O-N 2.89Å; E282-R284 VanDerWaalsContact O-N 3.1Å; E282-T405 PolarHBondContact N-O 2.97Å; E282-T405 PolarHBondContact O-N 2.77Å; E282-R407 WeakPolarHBondContact OE1-CD 3.28Å; E282-R407 IonicContact OE1-CZ 3.16Å; E282-R407 IonicContact OE1-NE 2.83Å; E282-R407 IonicContact OE1-NH1 3.98Å; E282-R407 PolarHBondContact OE1-NH1 2.82Å; E282-R407 IonicContact OE2-NH1 2.69Å; E282-R407 PolarHBondContact OE2-NH1 3.06Å
283N66.5Low76.1Confident22 Ų2266 Ų6612%0.11832%0.315CS..  trans-73.8100176.4-71.321.4000110.3C285 R291 H397 L398N283-C285 VanDerWaalsContact C-N 3.29Å; N283-C285 PolarHBondContact O-N 2.8Å; N283-R291 WeakPolarHBondContact O-CD 3.45Å; N283-H397 PolarHBondContact ND2-O 2.89Å; N283-L398 WeakPolarHBondContact OD1-CD2 3.47Å
284R67.4Low74.1Confident86 Ų8665.8 Ų65.833%0.32533%0.332SS..THydrogen-bonded Turntrans-71.5-18.6175-86-165-175.8-167.9-1.8114.2E282 I286 M356 E358 T405E282-R284 PolarHBondContact O-N 2.89Å; E282-R284 VanDerWaalsContact O-N 3.1Å; R284-I286 PolarHBondContact O-N 3.16Å; R284-M356 PolarHBondContact NH2-SD 2.72Å; R284-E358 IonicContact NH1-OE2 3.79Å; R284-E358 PolarHBondContact NH1-OE2 3.41Å; R284-T405 WeakPolarHBondContact CD-OG1 3.29Å; R284-T405 WeakPolarHBondContact CG-OG1 3.4Å; R284-T405 PolarHBondContact NE-OG1 2.97Å
285C62.9Low71.9Confident69 Ų6971.4 Ų71.447%0.46637%0.367SS..THydrogen-bonded Turntrans-62.4-9.2176.9730000115.1N283 A401N283-C285 VanDerWaalsContact C-N 3.29Å; N283-C285 PolarHBondContact O-N 2.8Å; C285-A401 VanDerWaalsContact SG-CB 3.56Å
286I65.1Low69.4Low43 Ų4370 Ų7022%0.22138%0.38CS..SBendtrans-105.8126.7171.5-61.7166.8000107.1R284 L290 R291R284-I286 PolarHBondContact O-N 3.16Å; I286-L290 HydrophobicContact CG2-CB 3.41Å; I286-L290 VanDerWaalsContact CG2-CB 3.41Å; I286-L290 HydrophobicContact CG2-CD1 4.35Å; I286-R291 HydrophobicContact CB-CG 4.17Å; I286-R291 HydrophobicContact CG2-CG 3.95Å; I286-R291 WeakPolarHBondContact O-CG 3.14Å; I286-R291 PolarHBondContact O-NH1 3.26Å
287S65.2Low66.9Low64 Ų6472.9 Ų72.945%0.44841%0.411SS..  trans-55.6151-176.578.10000112.8A289 L290 R291S287-A289 PolarHBondContact O-N 2.79Å; S287-A289 VanDerWaalsContact O-N 3.17Å; S287-L290 CarbonylContact O-C 3.55Å; S287-L290 WeakPolarHBondContact O-CA 3.43Å; S287-L290 PolarHBondContact O-N 3.1Å; S287-L290 WeakPolarHBondContact OG-CG 3.45Å; S287-L290 PolarHBondContact OG-N 2.92Å; S287-R291 WeakPolarHBondContact O-CG 3.33Å; S287-R291 PolarHBondContact O-N 3.1Å
288R61.7Low64.5Low129 Ų12975.1 Ų75.149%0.48744%0.435SS..Hα-helixtrans-57.6-34.3-177.4-175.3178.5174.7-168.3-4.4112.7R291 R292R288-R291 PolarHBondContact O-N 2.88Å; R288-R292 PolarHBondContact O-N 2.87Å
289A63.7Low62.1Low54 Ų5483.6 Ų83.645%0.44647%0.471SS..Hα-helixtrans-63.5-49.7172.600000111.7S287 R291 R292 L293S287-A289 PolarHBondContact O-N 2.79Å; S287-A289 VanDerWaalsContact O-N 3.17Å; A289-R291 PolarHBondContact O-N 3.33Å; A289-R292 WeakPolarHBondContact O-CB 3.3Å; A289-R292 PolarHBondContact O-N 2.86Å; A289-L293 WeakPolarHBondContact O-CG 3.25Å; A289-L293 PolarHBondContact O-N 2.89Å
290L64Low59.7Low99 Ų9991 Ų9152%0.51851%0.508SS..Hα-helixtrans-62.6-29.3174.2-72.6171.8000112.5I286 S287 G294I286-L290 HydrophobicContact CG2-CB 3.41Å; I286-L290 VanDerWaalsContact CG2-CB 3.41Å; I286-L290 HydrophobicContact CG2-CD1 4.35Å; S287-L290 CarbonylContact O-C 3.55Å; S287-L290 WeakPolarHBondContact O-CA 3.43Å; S287-L290 PolarHBondContact O-N 3.1Å; S287-L290 WeakPolarHBondContact OG-CG 3.45Å; S287-L290 PolarHBondContact OG-N 2.92Å; L290-G294 WeakPolarHBondContact O-CA 3.49Å; L290-G294 PolarHBondContact O-N 3.41Å
291R64.3Low57.6Low76 Ų7694.2 Ų94.229%0.28753%0.525SS..Hα-helixtrans-69.6-36.3170.6-60.2-161.1-57.3-95.413.6112.7N283 I286 S287 R288 A289N283-R291 WeakPolarHBondContact O-CD 3.45Å; I286-R291 HydrophobicContact CB-CG 4.17Å; I286-R291 HydrophobicContact CG2-CG 3.95Å; I286-R291 WeakPolarHBondContact O-CG 3.14Å; I286-R291 PolarHBondContact O-NH1 3.26Å; S287-R291 WeakPolarHBondContact O-CG 3.33Å; S287-R291 PolarHBondContact O-N 3.1Å; R288-R291 PolarHBondContact O-N 2.88Å; A289-R291 PolarHBondContact O-N 3.33Å
292R62.1Low55.7Low127 Ų127100.6 Ų100.648%0.47954%0.542SS..Hα-helixtrans-64.2-44.8171.4-74.7173.273.1156.5-2.6111R288 A289 T341 G342R288-R292 PolarHBondContact O-N 2.87Å; A289-R292 WeakPolarHBondContact O-CB 3.3Å; A289-R292 PolarHBondContact O-N 2.86Å; R292-T341 PolarHBondContact NH2-O 2.97Å; R292-G342 PolarHBondContact NH1-O 3.22Å
293L60.7Low53.8Low129 Ų129109.8 Ų109.868%0.67558%0.575SS**Hα-helixtrans-72-34.4180-63.4170.2000113A289 V295 G296A289-L293 WeakPolarHBondContact O-CG 3.25Å; A289-L293 PolarHBondContact O-N 2.89Å; L293-V295 PolarHBondContact O-N 3.08Å; L293-V295 VanDerWaalsContact O-N 3.14Å; L293-G296 PolarHBondContact O-N 2.78Å
294G54.5Low52.4Low60 Ų60114 Ų11462%0.61961%0.605SS**THydrogen-bonded Turntrans-66.4-11.8-17700000115.6L290 G296L290-G294 WeakPolarHBondContact O-CA 3.49Å; L290-G294 PolarHBondContact O-N 3.41Å; G294-G296 VanDerWaalsContact C-N 3.32Å
295V48.9Very low51.2Low133 Ų133115.7 Ų115.781%0.80662%0.624SS**THydrogen-bonded Turntrans-95.617.7172.2-159.30000111.5L293L293-V295 PolarHBondContact O-N 3.08Å; L293-V295 VanDerWaalsContact O-N 3.14Å
296G41.1Very low49.9Very low60 Ų60119.3 Ų119.362%0.61964%0.639SS**  trans-101.8-3.7-179.400000116.8L293 G294 A298L293-G296 PolarHBondContact O-N 2.78Å; G294-G296 VanDerWaalsContact C-N 3.32Å; G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.33Å
297G41.3Very low48.6Very low64 Ų64124.7 Ų124.766%0.6667%0.668SS**  trans-76.5-8.4-172.300000116.5K299G297-K299 PolarHBondContact O-N 3.02Å
298A44.6Very low47.3Very low76 Ų76126.3 Ų126.363%0.62868%0.68SS**SBendtrans-76.1112.7178.600000110.2G296 M300G296-A298 VanDerWaalsContact C-N 3.33Å; G296-A298 PolarHBondContact O-N 3.33Å; A298-M300 PolarHBondContact O-N 2.88Å
299K40.3Very low46.2Very low207 Ų207128.5 Ų128.590%0.970%0.695SS**  trans-54.7107.1173.4-69.6-172.6178.1-173.70109.7G297 K301G297-K299 PolarHBondContact O-N 3.02Å; K299-K301 PolarHBondContact O-N 2.9Å
300M39.7Very low45.2Very low178 Ų178134 Ų13488%0.87772%0.717SS**  trans-57.5110.2165.3-85.5-174.870.700107.7A298 R302A298-M300 PolarHBondContact O-N 2.88Å; M300-R302 PolarHBondContact O-N 2.9Å
301K41.4Very low43.8Very low199 Ų199139.4 Ų139.487%0.86574%0.736SS**  trans-66.387.7172.8-176-176.9178.6-176.50107.6K299 R303K299-K301 PolarHBondContact O-N 2.9Å; K301-R303 PolarHBondContact O-N 2.87Å; K301-R303 VanDerWaalsContact O-N 3.14Å
302R39.7Very low42.5Very low203 Ų203141.4 Ų141.477%0.76676%0.76SS**  trans-52.5122.7168.6-70.2-170.2-175.7173.15.1106.6M300 C304M300-R302 PolarHBondContact O-N 2.9Å; R302-C304 PolarHBondContact O-N 3.1Å
303R35.3Very low41.2Very low227 Ų227138.2 Ų138.286%0.85777%0.766SS**  trans-69.8106.9161.5-77.3-179.7-82.1-174.6-3.4105.1K301 V305K301-R303 PolarHBondContact O-N 2.87Å; K301-R303 VanDerWaalsContact O-N 3.14Å; R303-V305 PolarHBondContact O-N 2.94Å
304C36.5Very low39.8Very low111 Ų111141 Ų14175%0.7578%0.78SS**  trans-62.3122.6153.5-60.80000105.6R302R302-C304 PolarHBondContact O-N 3.1Å
305V42Very low39Very low122 Ų122139.7 Ų139.774%0.73977%0.767SS**  trans-104.4121158.1176.50000102.9R303 N307R303-V305 PolarHBondContact O-N 2.94Å; V305-N307 PolarHBondContact O-N 2.95Å
306D35.6Very low38.5Very low144 Ų144140.3 Ų140.377%0.7777%0.774SS**  trans-71.1117.2-177.1-56.7-63.1000109.1
307N38.9Very low38.4Very low157 Ų157143.6 Ų143.684%0.8479%0.787SS**  trans-149135.4157.2-95.8-28.7000106.9V305V305-N307 PolarHBondContact O-N 2.95Å
308S37.4Very low38.2Very low98 Ų98142.2 Ų142.269%0.68577%0.773SS**  trans-72.5-178.1177.944.40000111.6
309E38.9Very low37.8Very low175 Ų175144.5 Ų144.582%0.81878%0.784SS**  trans64.771.9163.7-62173.8-152.500116.5
310L42.6Very low37.9Very low170 Ų170137 Ų13789%0.8977%0.766SS**  trans-157.2103.4139.2-110157000110.9C312L310-C312 PolarHBondContact O-N 3.02Å
311K34.8Very low38Very low211 Ų211137.8 Ų137.892%0.91776%0.764SS**  trans-57.2125169.4-81.6176.3174.1172.80109
312C36.4Very low38.4Very low119 Ų119134.7 Ų134.780%0.80476%0.763SS**  trans-122.284.8168.1-155.70000108.3L310L310-C312 PolarHBondContact O-N 3.02Å
313G34.5Very low38.7Very low59 Ų59129.6 Ų129.661%0.60875%0.754SS**  trans-84.6169-178.400000113.1G315G313-G315 PolarHBondContact O-N 3.41Å
314I31Very low39.7Very low188 Ų188123 Ų12396%0.96476%0.757SS**SBendtrans-75.3114.1177.6-62.2162.6000108.4
315G38.1Very low41Very low33 Ų33123 Ų12334%0.3475%0.753SS.*SBendtrans-174.6164.7179.800000113.5G313 S317 G318G313-G315 PolarHBondContact O-N 3.41Å; G315-S317 PolarHBondContact O-N 3.33Å; G315-G318 PolarHBondContact O-N 2.92Å
316P37.4Very low42Very low146 Ų146120.7 Ų120.795%0.94874%0.741SS**THydrogen-bonded Turntrans-77.749.3-168.833.7-37.8000114.3
317S40.6Very low43.5Very low128 Ų128119.1 Ų119.190%0.89573%0.732SS**THydrogen-bonded Turntrans-153.3-8.4170.359.90000113.9G315G315-S317 PolarHBondContact O-N 3.33Å
318G36Very low45.1Very low35 Ų35116 Ų11636%0.36172%0.715SS.*  trans-154.486.4-174.900000115.2G315G315-G318 PolarHBondContact O-N 2.92Å
319S36.9Very low47Very low124 Ų124115.8 Ų115.887%0.86772%0.72SS**  trans-148.8171.2162.274.10000111.6
320G41.7Very low48.6Very low51 Ų51115.5 Ų115.553%0.52672%0.715SS.*  trans115.62.8175.100000117.4T322G320-T322 VanDerWaalsContact C-N 3.3Å; G320-T322 PolarHBondContact O-N 3.46Å
321K41.8Very low50.4Low193 Ų193110.9 Ų110.984%0.83969%0.687SS**THydrogen-bonded Turntrans-89.925.8178.2-69.8179.9-179.6169.40114.4
322T50.2Low52.6Low135 Ų135106.5 Ų106.583%0.82868%0.683SS**THydrogen-bonded Turntrans-136.4-0.9-172.9480000115.9G320G320-T322 VanDerWaalsContact C-N 3.3Å; G320-T322 PolarHBondContact O-N 3.46Å
323T46.2Very low54.7Low96 Ų96103.3 Ų103.359%0.58966%0.662SS**SBendtrans-123.7151.7173.157.60000111.1V325T323-V325 PolarHBondContact O-N 2.85Å; T323-V325 VanDerWaalsContact O-N 3.12Å
324G56.6Low56.8Low89 Ų89106 Ų10692%0.91866%0.66SS**  trans-80.626.1-179.600000114.5
325V63.5Low59Low109 Ų109102.1 Ų102.166%0.66164%0.641SS**  trans-94.7128.3-173.9-176.90000109.1T323T323-V325 PolarHBondContact O-N 2.85Å; T323-V325 VanDerWaalsContact O-N 3.12Å
326P63.4Low61Low75 Ų75101.9 Ų101.949%0.48763%0.632SS.*  trans-65.5135.7175.127.7-33.6000110.3L328 F337P326-L328 PolarHBondContact O-N 2.93Å; P326-F337 HydrophobicContact CB-CE2 4.1Å; P326-F337 HydrophobicContact CB-CZ 4.25Å; P326-F337 HydrophobicContact CG-CE2 4.39Å; P326-F337 HydrophobicContact CG-CZ 4.11Å
327N66.9Low63.1Low111 Ų11196.5 Ų96.559%0.59459%0.594SS**  trans-73.1109.3176.3-176.8-5.2000109.9A329N327-A329 WeakPolarHBondContact OD1-CB 3.36Å; N327-A329 PolarHBondContact OD1-N 3Å
328L72.5Confident64.7Low90 Ų9092.7 Ų92.747%0.47156%0.563SS.*  trans-82.1-15.2-179-60.7-178.9000113.7P326 K330 Y331 F337P326-L328 PolarHBondContact O-N 2.93Å; L328-K330 PolarHBondContact O-N 2.87Å; L328-Y331 PolarHBondContact O-N 2.79Å; L328-F337 HydrophobicContact CD2-CD1 4.36Å; L328-F337 HydrophobicContact CD2-CD2 3.66Å; L328-F337 HydrophobicContact CD2-CE1 4.41Å; L328-F337 HydrophobicContact CD2-CE2 3.71Å; L328-F337 HydrophobicContact CD2-CG 4Å; L328-F337 HydrophobicContact CD2-CZ 4.11Å
329A77.4Confident66.4Low95 Ų9594.9 Ų94.979%0.78557%0.569SS**THydrogen-bonded Turntrans-69.212.9-175.400000115.1N327N327-A329 WeakPolarHBondContact OD1-CB 3.36Å; N327-A329 PolarHBondContact OD1-N 3Å
330K72.4Confident68Low168 Ų16895.4 Ų95.473%0.7356%0.556SS**THydrogen-bonded Turntrans-110.40173.2-68.3-163.8171.1-160.90113.6L328L328-K330 PolarHBondContact O-N 2.87Å
331Y79.2Confident69.1Low73 Ų7395 Ų9529%0.28654%0.544SS..  trans-126.5129.7-173.9-52.4-81.2000109.1L328 D336 F337 K340L328-Y331 PolarHBondContact O-N 2.79Å; Y331-D336 WeakPolarHBondContact CA-OD2 3.45Å; Y331-F337 HydrophobicContact CD1-CB 4.18Å; Y331-F337 HydrophobicContact CD2-CB 4.13Å; Y331-F337 AromaticContact CD2-CD2 3.73Å; Y331-F337 HydrophobicContact CD2-CD2 3.73Å; Y331-F337 HydrophobicContact CD2-CG 4.42Å; Y331-F337 AromaticContact CE2-CD2 3.66Å; Y331-F337 HydrophobicContact CE2-CD2 3.66Å; Y331-F337 HydrophobicContact CE2-CE2 4.35Å; Y331-F337 HydrophobicContact CG-CB 3.82Å; Y331-F337 HydrophobicContact CG-CD2 4.23Å; Y331-K340 HydrophobicContact CD1-CB 4.39Å; Y331-K340 HydrophobicContact CD1-CD 3.95Å; Y331-K340 HydrophobicContact CE1-CB 3.82Å; Y331-K340 HydrophobicContact CE1-CD 3.9Å
332S81Confident70.1Confident120 Ų12087.6 Ų87.684%0.83952%0.522SS*.SBendtrans-82.6-17.9-175.641.30000113.6
333S80.6Confident70.7Confident51 Ų5184.8 Ų84.836%0.35750%0.502SS..SBendtrans-143.1172.116884.80000111.5D335 D336 F337S333-D335 WeakPolarHBondContact CB-OD2 3.41Å; S333-D335 PolarHBondContact O-N 3.47Å; S333-D335 WeakPolarHBondContact OG-CB 3.39Å; S333-D335 PolarHBondContact OG-N 3.43Å; S333-D335 VanDerWaalsContact OG-N 3.13Å; S333-D335 PolarHBondContact OG-OD2 3.46Å; S333-D336 PolarHBondContact O-N 2.79Å; S333-D336 PolarHBondContact OG-N 3.1Å; S333-F337 PolarHBondContact O-N 2.78Å
334M79.1Confident71.1Confident117 Ų11785 Ų8558%0.57650%0.499SS*.Hα-helixtrans-61.4-36.4171.6-174.162.667.800111.4F337 L338M334-F337 WeakPolarHBondContact O-CB 3.34Å; M334-F337 PolarHBondContact O-N 3.38Å; M334-F337 HydrophobicContact SD-CD1 4.28Å; M334-L338 HydrophobicContact CG-CD1 3.94Å; M334-L338 HydrophobicContact CG-CG 4.36Å; M334-L338 WeakPolarHBondContact O-CB 3.3Å; M334-L338 VanDerWaalsContact O-CG 3.27Å; M334-L338 WeakPolarHBondContact O-CG 3.18Å; M334-L338 PolarHBondContact O-N 2.95Å
335D78.5Confident70.8Confident105 Ų10583.9 Ų83.956%0.56148%0.477SS*.Hα-helixtrans-67.8-40.3-179.4-31.4-82.8000110.7S333 F337 L338 T339S333-D335 WeakPolarHBondContact CB-OD2 3.41Å; S333-D335 PolarHBondContact O-N 3.47Å; S333-D335 WeakPolarHBondContact OG-CB 3.39Å; S333-D335 PolarHBondContact OG-N 3.43Å; S333-D335 VanDerWaalsContact OG-N 3.13Å; S333-D335 PolarHBondContact OG-OD2 3.46Å; D335-F337 VanDerWaalsContact C-N 3.31Å; D335-F337 PolarHBondContact O-N 3.48Å; D335-L338 PolarHBondContact O-N 3.2Å; D335-T339 WeakPolarHBondContact O-CB 3.25Å; D335-T339 WeakPolarHBondContact O-CG2 3.32Å; D335-T339 PolarHBondContact O-N 3.16Å; D335-T339 PolarHBondContact O-OG1 3.02Å
336D79.7Confident70.2Confident29 Ų2984.1 Ų84.116%0.15547%0.474CS..Hα-helixtrans-62.5-37.3173.5-169.557.4000112Y331 S333 T339 K340Y331-D336 WeakPolarHBondContact CA-OD2 3.45Å; S333-D336 PolarHBondContact O-N 2.79Å; S333-D336 PolarHBondContact OG-N 3.1Å; D336-T339 WeakPolarHBondContact CA-OG1 3.11Å; D336-T339 PolarHBondContact O-OG1 3.48Å; D336-K340 VanDerWaalsContact O-CB 3.26Å; D336-K340 WeakPolarHBondContact O-CB 3.43Å; D336-K340 WeakPolarHBondContact O-CG 3.43Å; D336-K340 PolarHBondContact O-N 3.15Å; D336-K340 VanDerWaalsContact O-N 3.15Å; D336-K340 WeakPolarHBondContact OD1-CD 3.42Å; D336-K340 WeakPolarHBondContact OD1-CE 3.39Å; D336-K340 IonicContact OD1-NZ 2.88Å; D336-K340 PolarHBondContact OD1-NZ 3.47Å; D336-K340 IonicContact OD2-NZ 3.1Å; D336-K340 PolarHBondContact OD2-NZ 3.5Å
337F80.1Confident69.8Low33 Ų3385.8 Ų85.815%0.14549%0.488CS..Hα-helixtrans-66.2-49.1170.9171.5-103.5000112P326 L328 Y331 S333 M334 D335 T339 T341 L343P326-F337 HydrophobicContact CB-CE2 4.1Å; P326-F337 HydrophobicContact CB-CZ 4.25Å; P326-F337 HydrophobicContact CG-CE2 4.39Å; P326-F337 HydrophobicContact CG-CZ 4.11Å; L328-F337 HydrophobicContact CD2-CD1 4.36Å; L328-F337 HydrophobicContact CD2-CD2 3.66Å; L328-F337 HydrophobicContact CD2-CE1 4.41Å; L328-F337 HydrophobicContact CD2-CE2 3.71Å; L328-F337 HydrophobicContact CD2-CG 4Å; L328-F337 HydrophobicContact CD2-CZ 4.11Å; Y331-F337 HydrophobicContact CD1-CB 4.18Å; Y331-F337 HydrophobicContact CD2-CB 4.13Å; Y331-F337 AromaticContact CD2-CD2 3.73Å; Y331-F337 HydrophobicContact CD2-CD2 3.73Å; Y331-F337 HydrophobicContact CD2-CG 4.42Å; Y331-F337 AromaticContact CE2-CD2 3.66Å; Y331-F337 HydrophobicContact CE2-CD2 3.66Å; Y331-F337 HydrophobicContact CE2-CE2 4.35Å; Y331-F337 HydrophobicContact CG-CB 3.82Å; Y331-F337 HydrophobicContact CG-CD2 4.23Å; S333-F337 PolarHBondContact O-N 2.78Å; M334-F337 WeakPolarHBondContact O-CB 3.34Å; M334-F337 PolarHBondContact O-N 3.38Å; M334-F337 HydrophobicContact SD-CD1 4.28Å; D335-F337 VanDerWaalsContact C-N 3.31Å; D335-F337 PolarHBondContact O-N 3.48Å; F337-T339 PolarHBondContact O-N 3.23Å; F337-T341 HydrophobicContact CD2-CG2 3.77Å; F337-T341 HydrophobicContact CE2-CG2 3.63Å; F337-T341 HydrophobicContact CG-CG2 4.47Å; F337-T341 HydrophobicContact CZ-CG2 4.22Å; F337-T341 VanDerWaalsContact O-CB 3.31Å; F337-T341 WeakPolarHBondContact O-CB 3.41Å; F337-T341 VanDerWaalsContact O-CG2 3.26Å; F337-T341 WeakPolarHBondContact O-CG2 3.44Å; F337-T341 PolarHBondContact O-N 3.17Å; F337-T341 PolarHBondContact O-OG1 2.96Å; F337-L343 HydrophobicContact CE1-CD1 4.35Å
338L74.3Confident69Low47 Ų4783.6 Ų83.625%0.24649%0.485CS..Hα-helixtrans-69.5-31.7-174.9-69.5174.2000113.3M334 D335 L343 L344M334-L338 HydrophobicContact CG-CD1 3.94Å; M334-L338 HydrophobicContact CG-CG 4.36Å; M334-L338 WeakPolarHBondContact O-CB 3.3Å; M334-L338 VanDerWaalsContact O-CG 3.27Å; M334-L338 WeakPolarHBondContact O-CG 3.18Å; M334-L338 PolarHBondContact O-N 2.95Å; D335-L338 PolarHBondContact O-N 3.2Å; L338-L343 HydrophobicContact CD2-CB 4.12Å; L338-L343 HydrophobicContact CD2-CD1 3.68Å; L338-L343 WeakPolarHBondContact O-CB 3.39Å; L338-L343 PolarHBondContact O-N 3.5Å; L338-L344 HydrophobicContact CB-CD1 3.58Å; L338-L344 HydrophobicContact CB-CG 3.93Å; L338-L344 HydrophobicContact CD1-CD1 4.07Å; L338-L344 HydrophobicContact CG-CD1 4.43Å; L338-L344 PolarHBondContact O-N 3.29Å
339T72.2Confident67.9Low81 Ų8180.5 Ų80.550%0.49747%0.469SS..Hα-helixtrans-73.5-59.1172.951.70000111.2D335 D336 F337 T341 G342D335-T339 WeakPolarHBondContact O-CB 3.25Å; D335-T339 WeakPolarHBondContact O-CG2 3.32Å; D335-T339 PolarHBondContact O-N 3.16Å; D335-T339 PolarHBondContact O-OG1 3.02Å; D336-T339 WeakPolarHBondContact CA-OG1 3.11Å; D336-T339 PolarHBondContact O-OG1 3.48Å; F337-T339 PolarHBondContact O-N 3.23Å; T339-T341 VanDerWaalsContact C-N 3.27Å; T339-T341 PolarHBondContact O-N 2.76Å; T339-G342 PolarHBondContact O-N 3.17Å
340K69.7Low66.3Low135 Ų13578.9 Ų78.959%0.58745%0.452SS*.Hα-helixtrans-63.6-25.6-176.2-71.6172.1175.8157.80114.2Y331 D336 G342Y331-K340 HydrophobicContact CD1-CB 4.39Å; Y331-K340 HydrophobicContact CD1-CD 3.95Å; Y331-K340 HydrophobicContact CE1-CB 3.82Å; Y331-K340 HydrophobicContact CE1-CD 3.9Å; D336-K340 VanDerWaalsContact O-CB 3.26Å; D336-K340 WeakPolarHBondContact O-CB 3.43Å; D336-K340 WeakPolarHBondContact O-CG 3.43Å; D336-K340 PolarHBondContact O-N 3.15Å; D336-K340 VanDerWaalsContact O-N 3.15Å; D336-K340 WeakPolarHBondContact OD1-CD 3.42Å; D336-K340 WeakPolarHBondContact OD1-CE 3.39Å; D336-K340 IonicContact OD1-NZ 2.88Å; D336-K340 PolarHBondContact OD1-NZ 3.47Å; D336-K340 IonicContact OD2-NZ 3.1Å; D336-K340 PolarHBondContact OD2-NZ 3.5Å; K340-G342 VanDerWaalsContact C-N 3.3Å
341T66.7Low65.2Low43 Ų4377.7 Ų77.726%0.26445%0.453SS..THydrogen-bonded Turntrans-85.23.5174.760.50000114.5R292 F337 T339 L343R292-T341 PolarHBondContact NH2-O 2.97Å; F337-T341 HydrophobicContact CD2-CG2 3.77Å; F337-T341 HydrophobicContact CE2-CG2 3.63Å; F337-T341 HydrophobicContact CG-CG2 4.47Å; F337-T341 HydrophobicContact CZ-CG2 4.22Å; F337-T341 VanDerWaalsContact O-CB 3.31Å; F337-T341 WeakPolarHBondContact O-CB 3.41Å; F337-T341 VanDerWaalsContact O-CG2 3.26Å; F337-T341 WeakPolarHBondContact O-CG2 3.44Å; F337-T341 PolarHBondContact O-N 3.17Å; F337-T341 PolarHBondContact O-OG1 2.96Å; T339-T341 VanDerWaalsContact C-N 3.27Å; T339-T341 PolarHBondContact O-N 2.76Å; T341-L343 WeakPolarHBondContact OG1-CD1 3.42Å
342G61.5Low63.8Low38 Ų3878.5 Ų78.539%0.39246%0.462SS..THydrogen-bonded Turntrans60.746.4-178.900000111.8R292 T339 K340R292-G342 PolarHBondContact NH1-O 3.22Å; T339-G342 PolarHBondContact O-N 3.17Å; K340-G342 VanDerWaalsContact C-N 3.3Å
343L62.5Low62.3Low75 Ų7577.3 Ų77.339%0.39345%0.445SS..SBendtrans-96.3-30.7171.4-80.1165.8000112.3F337 L338 T341F337-L343 HydrophobicContact CE1-CD1 4.35Å; L338-L343 HydrophobicContact CD2-CB 4.12Å; L338-L343 HydrophobicContact CD2-CD1 3.68Å; L338-L343 WeakPolarHBondContact O-CB 3.39Å; L338-L343 PolarHBondContact O-N 3.5Å; T341-L343 WeakPolarHBondContact OG1-CD1 3.42Å
344L56.1Low60.8Low101 Ų10180.3 Ų80.353%0.52947%0.467SS..SBendtrans-114.312.5-176.7-61.9177.7000115.4L338 D346L338-L344 HydrophobicContact CB-CD1 3.58Å; L338-L344 HydrophobicContact CB-CG 3.93Å; L338-L344 HydrophobicContact CD1-CD1 4.07Å; L338-L344 HydrophobicContact CG-CD1 4.43Å; L338-L344 PolarHBondContact O-N 3.29Å; L344-D346 PolarHBondContact O-N 3.3Å
345S48.5Very low59.3Low65 Ų6581.8 Ų81.846%0.45548%0.477SS..  trans-84.790176.4-172.30000110.8S347S345-S347 VanDerWaalsContact C-N 3.31Å
346D52.3Low57.9Low114 Ų11478.3 Ų78.361%0.6146%0.458SS*.G310 helixtrans-72.4-21.3177.6-75.5-47.8000113.8L344 A348 L349L344-D346 PolarHBondContact O-N 3.3Å; D346-A348 PolarHBondContact O-N 3.47Å; D346-L349 WeakPolarHBondContact O-CB 3.35Å; D346-L349 PolarHBondContact O-N 2.91Å; D346-L349 WeakPolarHBondContact OD1-CD1 3.45Å
347S54.4Low56.6Low111 Ų11184.7 Ų84.778%0.77649%0.487SS*.G310 helixtrans-62.1-10.2178.4-42.40000114.9S345S345-S347 VanDerWaalsContact C-N 3.31Å
348A49.7Very low55Low64 Ų6487.9 Ų87.953%0.52950%0.502SS..G310 helixtrans-105.99.917400000113.2D346D346-A348 PolarHBondContact O-N 3.47Å
349L49.4Very low53.7Low25 Ų2589.8 Ų89.813%0.13152%0.515CS..THydrogen-bonded Turntrans-121.8-26-167.2-56.4-176.8000114.7D346 D351 I352 L353D346-L349 WeakPolarHBondContact O-CB 3.35Å; D346-L349 PolarHBondContact O-N 2.91Å; D346-L349 WeakPolarHBondContact OD1-CD1 3.45Å; L349-D351 VanDerWaalsContact C-N 3.33Å; L349-D351 PolarHBondContact O-N 3.43Å; L349-I352 PolarHBondContact O-N 2.88Å; L349-L353 HydrophobicContact CB-CD1 4.24Å; L349-L353 WeakPolarHBondContact O-CD1 3.45Å; L349-L353 VanDerWaalsContact O-CG 3.28Å; L349-L353 WeakPolarHBondContact O-CG 3.37Å; L349-L353 PolarHBondContact O-N 3.05Å
350S44.7Very low52.2Low62 Ų6290.5 Ų90.543%0.43452%0.516SS..Hα-helixtrans-46.1-56.3172.242.70000111.7I352 L353 S354S350-I352 PolarHBondContact O-N 2.83Å; S350-L353 PolarHBondContact O-N 3.31Å; S350-S354 PolarHBondContact O-N 3.34Å
351D48.1Very low51Low142 Ų14288.3 Ų88.376%0.75951%0.51SS*.Hα-helixtrans-70.1-0.2-171.6-56.321.6000113.4L349L349-D351 VanDerWaalsContact C-N 3.33Å; L349-D351 PolarHBondContact O-N 3.43Å
352I51.4Low50Low91 Ų9193.1 Ų93.147%0.46754%0.539SS..Hα-helixtrans-121.7-7-177.9-64.1177.4000111.4L349 S350 R407L349-I352 PolarHBondContact O-N 2.88Å; S350-I352 PolarHBondContact O-N 2.83Å; I352-R407 VanDerWaalsContact CG2-NH2 3.31Å; I352-R407 PolarHBondContact O-NH2 2.95Å
353L49Very low48.9Very low94 Ų9495.7 Ų95.749%0.49255%0.551SS.*Hα-helixtrans-106.5-30.3-176.1-74.5171.2000114.2L349 S350 D355 M356L349-L353 HydrophobicContact CB-CD1 4.24Å; L349-L353 WeakPolarHBondContact O-CD1 3.45Å; L349-L353 VanDerWaalsContact O-CG 3.28Å; L349-L353 WeakPolarHBondContact O-CG 3.37Å; L349-L353 PolarHBondContact O-N 3.05Å; S350-L353 PolarHBondContact O-N 3.31Å; L353-D355 PolarHBondContact O-N 3.31Å; L353-M356 WeakPolarHBondContact O-CB 3.39Å; L353-M356 PolarHBondContact O-N 3.2Å
354S48.3Very low48Very low115 Ų11599.8 Ų99.880%0.80457%0.574SS**THydrogen-bonded Turntrans-63-24.8179.7-52.30000114.2S350 M356S350-S354 PolarHBondContact O-N 3.34Å; S354-M356 PolarHBondContact O-N 2.91Å
355D48.4Very low47.3Very low147 Ų147102.2 Ų102.279%0.78659%0.585SS**THydrogen-bonded Turntrans-78.419.6179-93.710.7000114.1L353L353-D355 PolarHBondContact O-N 3.31Å
356M48.9Very low46.7Very low33 Ų33108.3 Ų108.316%0.16361%0.607CS.*  trans-129.679.7-162.6-60.1-136.468.400115.7R284 L353 S354 T405 R407R284-M356 PolarHBondContact NH2-SD 2.72Å; L353-M356 WeakPolarHBondContact O-CB 3.39Å; L353-M356 PolarHBondContact O-N 3.2Å; S354-M356 PolarHBondContact O-N 2.91Å; M356-T405 HydrophobicContact CE-CG2 3.42Å; M356-T405 VanDerWaalsContact CE-CG2 3.42Å; M356-R407 HydrophobicContact CE-CG 3.5Å; M356-R407 HydrophobicContact SD-CG 4.48Å; M356-R407 PolarHBondContact SD-NE 2.86Å; M356-R407 PolarHBondContact SD-NH2 3.29Å; M356-R407 VanDerWaalsContact SD-NH2 3.44Å
357E52.4Low45.8Very low163 Ų163110.5 Ų110.576%0.76262%0.618SS**  trans-63.6134.7164.1-169.1176.7-162.400111.4V359E357-V359 HydrophobicContact CG-CG2 4.39Å
358E46Very low44.7Very low99 Ų99109.9 Ų109.946%0.46362%0.619SS.*  trans-103.1112.4175.3-175.5160.4148.200110.5R284 K403R284-E358 IonicContact NH1-OE2 3.79Å; R284-E358 PolarHBondContact NH1-OE2 3.41Å; E358-K403 IonicContact OE1-NZ 2.71Å; E358-K403 PolarHBondContact OE1-NZ 2.83Å
359V48.3Very low44Very low88 Ų88111.8 Ų111.853%0.53363%0.629SS.*  trans-104.8119.3177.6-178.20000109.4E357E357-V359 HydrophobicContact CG-CG2 4.39Å
360D39.9Very low43.1Very low96 Ų96116.4 Ų116.451%0.51366%0.663SS.*  trans-78.7136.8172.3-99.9-39.6000111.9V362 K403D360-V362 PolarHBondContact O-N 3.18Å; D360-K403 WeakPolarHBondContact OD1-CE 3.47Å; D360-K403 VanDerWaalsContact OD1-CG 3.25Å; D360-K403 WeakPolarHBondContact OD1-CG 3.21Å; D360-K403 IonicContact OD1-NZ 2.68Å; D360-K403 PolarHBondContact OD1-NZ 2.54Å; D360-K403 IonicContact OD2-NZ 3.16Å; D360-K403 PolarHBondContact OD2-NZ 2.94Å
361L44.2Very low42.6Very low89 Ų89116.2 Ų116.247%0.46667%0.671SS.*  trans-86.3110.5176.7-64.1176.3000109.2S363L361-S363 PolarHBondContact O-N 3.19Å
362V46.7Very low41.9Very low143 Ų143119.2 Ų119.287%0.86768%0.678SS**PPolyproline II helixtrans-54.3128173.9-177.70000109.2D360D360-V362 PolarHBondContact O-N 3.18Å
363S38.8Very low41Very low92 Ų92118.6 Ų118.664%0.64369%0.686SS**PPolyproline II helixtrans-79.4131.7178.5-62.40000110L361 I365L361-S363 PolarHBondContact O-N 3.19Å; S363-I365 PolarHBondContact O-N 3.29Å
364D41.8Very low40.3Very low162 Ų162120.7 Ų120.787%0.86670%0.698SS**PPolyproline II helixtrans-56.9135.2-179.8-75.2-55.8000111.9Q366D364-Q366 PolarHBondContact O-N 2.89Å
365I42.1Very low39.5Very low151 Ų151120.4 Ų120.477%0.77469%0.691SS**PPolyproline II helixtrans-65.6117.4178-63.9168.4000109S363 L367S363-I365 PolarHBondContact O-N 3.29Å; I365-L367 VanDerWaalsContact C-N 3.34Å; I365-L367 HydrophobicContact CG2-CD1 4.3Å; I365-L367 PolarHBondContact O-N 2.93Å
366Q35Very low38.8Very low194 Ų194119.6 Ų119.691%0.90769%0.687SS**  trans-72.988.6169.7-73.2-168.6-54.400110.2D364D364-Q366 PolarHBondContact O-N 2.89Å
367L34.9Very low38.1Very low160 Ų160123.9 Ų123.984%0.83872%0.715SS**  trans-67.3130.3169.7-140.574.4000109.6I365I365-L367 VanDerWaalsContact C-N 3.34Å; I365-L367 HydrophobicContact CG2-CD1 4.3Å; I365-L367 PolarHBondContact O-N 2.93Å
368A30.7Very low37.4Very low98 Ų98123.5 Ų123.581%0.8172%0.717SS**  trans-86.2130.1-170.200000113.6
369S35Very low37Very low104 Ų104127.2 Ų127.273%0.72773%0.734SS**  trans-178.5107.9154.835.40000107.6
370S31.2Very low36.6Very low121 Ų121128.5 Ų128.585%0.84675%0.747SS**  65.9105.175.474.40000114
371G33.7Very low36.4Very low58 Ų58135.6 Ų135.660%0.59877%0.766SS**  trans148.5113.4163.100000116.3
372F32.9Very low36Very low206 Ų206141.3 Ų141.390%0.90479%0.787SS**  trans66.2125.6154.9-48.7-75.3000117.4
373A33.9Very low35.3Very low77 Ų77145.4 Ų145.464%0.63679%0.787SS**  71132.354.200000112.8
374N34.1Very low35.2Very low139 Ų139150.9 Ų150.974%0.74380%0.8SS**  cis-155.2154.11.3-107.5-5.7000112.4
375T30.9Very low34.6Very low109 Ų109151.8 Ų151.867%0.66980%0.798SS**  trans45.2169143.865.30000124.6
376D34.5Very low34.2Very low130 Ų130148.1 Ų148.170%0.69580%0.798SS**  trans82.767.5152-52.2-43.8000122.6
377T32.6Very low33.9Very low122 Ų122147.7 Ų147.775%0.74880%0.795SS**  25.9101.8110.2-450000118.9
378I37.9Very low33.9Very low156 Ų156142.9 Ų142.980%0.879%0.785SS**  trans-131.9118.9150.7-63.6-176.4000110.4
379Q38.9Very low34Very low177 Ų177144.2 Ų144.283%0.82778%0.783SS**  trans-83.8130.1166.5-58.1-17627.300109.9
380S39.2Very low34.2Very low115 Ų115143.6 Ų143.680%0.80478%0.778SS**  trans-145.9128.115667.30000112.3
381R34.7Very low34.4Very low244 Ų244144.8 Ų144.892%0.92178%0.781SS**  trans-92.2120.9177.9-70.3170.6168.2162.8-5.7109.6
382K36.4Very low34.6Very low209 Ų209149.4 Ų149.491%0.90979%0.79SS**  trans-149.2111.9154-142.4152.7-169.2164.30113.3
383R32Very low34.7Very low229 Ų229146.9 Ų146.986%0.86478%0.781SS**  trans-67.7136.8169.3-68.8176.7172.4175.3-2.8109.3
384K36.5Very low35.1Very low208 Ų208146.3 Ų146.390%0.90478%0.782SS**  trans-143.7127.9150.4-117.2-179-178.9-178.90109.5
385H30.2Very low35.9Very low181 Ų181144.7 Ų144.784%0.83877%0.773SS**  trans-75.6130.2176.5-68.7-5.1000109.8
386G32.7Very low36.8Very low74 Ų74149.8 Ų149.876%0.76379%0.786SS**  trans-129.896.3173.200000109.3G388G386-G388 PolarHBondContact O-N 2.78Å
387H30.2Very low37.5Very low184 Ų184149 Ų14985%0.85278%0.778SS**  trans-7486.9-179-17488.6000110.3
388G34.9Very low38.4Very low60 Ų60146.4 Ų146.462%0.61976%0.759SS**  trans-118.494.1-177.900000112.4G386 S390G386-G388 PolarHBondContact O-N 2.78Å; G388-S390 PolarHBondContact O-N 3.12Å
389T31.8Very low39.1Very low125 Ų125142.9 Ų142.977%0.76776%0.761SS**  trans-70.686.2-178.139.90000112.5
390S39.8Very low40Very low91 Ų91139.4 Ų139.464%0.63676%0.756SS**  trans-113.8104175.952.30000111.9G388 I392G388-S390 PolarHBondContact O-N 3.12Å; S390-I392 PolarHBondContact O-N 3.09Å
391T35Very low40.7Very low146 Ų146134.7 Ų134.790%0.89673%0.725SS**  trans-77.461.1-178.538.30000112.8H393T391-H393 PolarHBondContact O-N 2.82Å
392I38.1Very low42Very low156 Ų156131.6 Ų131.680%0.872%0.718SS**  trans-90.379.2179.6-52.7-177.9000110.1S390S390-I392 PolarHBondContact O-N 3.09Å
393H34.9Very low43.5Very low153 Ų153125.3 Ų125.371%0.70869%0.69SS**  trans-81.7143.6-178.9-143.9-93.6000112.2T391T391-H393 PolarHBondContact O-N 2.82Å
394G41.2Very low45.3Very low64 Ų64115.7 Ų115.766%0.6666%0.66SS**SBendtrans98.36.3140.200000122.4
395L51.4Low47.4Very low106 Ų106106.1 Ų106.156%0.55562%0.619SS**  trans-125.3-4.3179.6-89.395.4000118.2H397 L398L395-H397 VanDerWaalsContact C-N 3.31Å; L395-H397 PolarHBondContact O-N 2.83Å; L395-L398 HydrophobicContact CB-CD1 4.2Å; L395-L398 HydrophobicContact CD2-CD1 3.81Å; L395-L398 HydrophobicContact CG-CD1 3.72Å; L395-L398 PolarHBondContact O-N 3.06Å
396K49.5Very low49.9Very low216 Ų216102.2 Ų102.294%0.93960%0.603SS**G310 helixtrans-67.1-23.7-173.9-69.4-169.2177.3-174.40115.2L398K396-L398 VanDerWaalsContact C-N 3.34Å; K396-L398 PolarHBondContact O-N 2.99Å
397H49.8Very low52.5Low112 Ų112101.7 Ų101.752%0.51958%0.578SS.*G310 helixtrans-79.8-11.1-178.7-157.3-51.9000113.9N283 L395 G399N283-H397 PolarHBondContact ND2-O 2.89Å; L395-H397 VanDerWaalsContact C-N 3.31Å; L395-H397 PolarHBondContact O-N 2.83Å; H397-G399 PolarHBondContact O-N 3.04Å
398L51Low55.3Low68 Ų6897 Ų9736%0.35656%0.559SS.*G310 helixtrans-67.4-22.9177.2-82.1142.4000113.3N283 L395 K396 S400N283-L398 WeakPolarHBondContact OD1-CD2 3.47Å; L395-L398 HydrophobicContact CB-CD1 4.2Å; L395-L398 HydrophobicContact CD2-CD1 3.81Å; L395-L398 HydrophobicContact CG-CD1 3.72Å; L395-L398 PolarHBondContact O-N 3.06Å; K396-L398 VanDerWaalsContact C-N 3.34Å; K396-L398 PolarHBondContact O-N 2.99Å; L398-S400 VanDerWaalsContact C-N 3.28Å; L398-S400 PolarHBondContact O-N 2.87Å
399G54Low58Low82 Ų8295.4 Ų95.485%0.84554%0.537SS*.G310 helixtrans-76.8-2.3-177.300000116.4H397H397-G399 PolarHBondContact O-N 3.04Å
400S56.7Low60.8Low104 Ų10491.2 Ų91.273%0.72751%0.509SS*.G310 helixtrans-125.22.4-178.4-163.40000113.1L398 K402L398-S400 VanDerWaalsContact C-N 3.28Å; L398-S400 PolarHBondContact O-N 2.87Å; S400-K402 PolarHBondContact O-N 3.31Å
401A53.9Low63.2Low17 Ų1787 Ų8714%0.1448%0.48CS..  trans-90.7103.1-176.200000110.8C285 K403C285-A401 VanDerWaalsContact SG-CB 3.56Å; A401-K403 VanDerWaalsContact C-N 3.29Å; A401-K403 PolarHBondContact O-N 2.66Å
402K62.4Low65.5Low178 Ų17880.2 Ų80.277%0.77444%0.438SS*.SBendtrans-60-36.9174.4-66.2-171.4177.5-172.60112.9S400S400-K402 PolarHBondContact O-N 3.31Å
403K67.7Low68.2Low77 Ų7772.9 Ų72.934%0.33540%0.4SS..  trans-109.9128.9175.7-75.1-179.1173.3-88.40111E358 D360 A401E358-K403 IonicContact OE1-NZ 2.71Å; E358-K403 PolarHBondContact OE1-NZ 2.83Å; D360-K403 WeakPolarHBondContact OD1-CE 3.47Å; D360-K403 VanDerWaalsContact OD1-CG 3.25Å; D360-K403 WeakPolarHBondContact OD1-CG 3.21Å; D360-K403 IonicContact OD1-NZ 2.68Å; D360-K403 PolarHBondContact OD1-NZ 2.54Å; D360-K403 IonicContact OD2-NZ 3.16Å; D360-K403 PolarHBondContact OD2-NZ 2.94Å; A401-K403 VanDerWaalsContact C-N 3.29Å; A401-K403 PolarHBondContact O-N 2.66Å
404A70.6Confident71.1Confident27 Ų2769.5 Ų69.522%0.22338%0.381CS..  trans-134136.1171.400000109.3
405T79.6Confident73.7Confident8 Ų866.8 Ų66.85%0.04935%0.352CS..EExtended strand (participates in β ladder)trans-104.7134.9-177.6-48.60000110.1E282 R284 M356E282-T405 PolarHBondContact N-O 2.97Å; E282-T405 PolarHBondContact O-N 2.77Å; R284-T405 WeakPolarHBondContact CD-OG1 3.29Å; R284-T405 WeakPolarHBondContact CG-OG1 3.4Å; R284-T405 PolarHBondContact NE-OG1 2.97Å; M356-T405 HydrophobicContact CE-CG2 3.42Å; M356-T405 VanDerWaalsContact CE-CG2 3.42Å
406I83.7Confident75.8Confident98 Ų9862.3 Ų62.350%0.50333%0.329SS..EExtended strand (participates in β ladder)trans-93.6139.3179.3-66.8169.2000108.8I279 L408I279-I406 HydrophobicContact CG2-CG2 4.23Å; I406-L408 HydrophobicContact CG2-CD2 4.04Å; I406-L408 HydrophobicContact CG2-CG 4.5Å
407R86.4Confident78Confident63 Ų6352 Ų5224%0.23828%0.284CS..EExtended strand (participates in β ladder)trans-124.7131.3166.7-82.9172.9144.7176.5-6.6109.1R280 E282 I352 M356R280-R407 HydrophobicContact CB-CB 4.29Å; R280-R407 PolarHBondContact N-O 2.94Å; R280-R407 PolarHBondContact O-N 2.74Å; E282-R407 WeakPolarHBondContact OE1-CD 3.28Å; E282-R407 IonicContact OE1-CZ 3.16Å; E282-R407 IonicContact OE1-NE 2.83Å; E282-R407 IonicContact OE1-NH1 3.98Å; E282-R407 PolarHBondContact OE1-NH1 2.82Å; E282-R407 IonicContact OE2-NH1 2.69Å; E282-R407 PolarHBondContact OE2-NH1 3.06Å; I352-R407 VanDerWaalsContact CG2-NH2 3.31Å; I352-R407 PolarHBondContact O-NH2 2.95Å; M356-R407 HydrophobicContact CE-CG 3.5Å; M356-R407 HydrophobicContact SD-CG 4.48Å; M356-R407 PolarHBondContact SD-NE 2.86Å; M356-R407 PolarHBondContact SD-NH2 3.29Å; M356-R407 VanDerWaalsContact SD-NH2 3.44Å
408L90.1Very high80Confident87 Ų8748 Ų4846%0.45527%0.267SS..EExtended strand (participates in β ladder)trans-96.3140.8174.7-60-176.8000109.9V233 F277 H278 I279 I406V233-L408 HydrophobicContact CG1-CD2 4.11Å; F277-L408 HydrophobicContact CB-CB 4.23Å; F277-L408 HydrophobicContact CB-CD2 4.24Å; F277-L408 HydrophobicContact CD1-CB 4.08Å; F277-L408 HydrophobicContact CD1-CD1 4.46Å; F277-L408 HydrophobicContact CG-CB 4.4Å; F277-L408 HydrophobicContact CG-CD1 4.39Å; H278-L408 WeakPolarHBondContact O-CA 3.38Å; I279-L408 HydrophobicContact CG1-CD2 3.78Å; I406-L408 HydrophobicContact CG2-CD2 4.04Å; I406-L408 HydrophobicContact CG2-CG 4.5Å
409T90.6Very high82Confident26 Ų2644.9 Ų44.916%0.1625%0.25CS..EExtended strand (participates in β ladder)trans-132.1126164.767.70000108.9F277 H278 I411F277-T409 WeakPolarHBondContact CA-O 3.46Å; H278-T409 PolarHBondContact N-O 2.84Å; H278-T409 PolarHBondContact O-N 3.1Å; H278-T409 VanDerWaalsContact O-N 3.08Å; T409-I411 PolarHBondContact O-N 3.19Å
410E90.9Very high83.8Confident36 Ų3641.5 Ų41.517%0.16821%0.213CC..EExtended strand (participates in β ladder)trans-57.9133178.2-72.7-165.5163.600111.4I166 V170 R275 F277 R414I166-E410 HydrophobicContact CG2-CB 3.95Å; V170-E410 HydrophobicContact CG2-CB 4.46Å; R275-E410 IonicContact NH1-OE1 2.65Å; R275-E410 PolarHBondContact NH1-OE1 2.64Å; F277-E410 HydrophobicContact CD1-CB 4.42Å; F277-E410 HydrophobicContact CD1-CG 3.61Å; F277-E410 HydrophobicContact CE1-CG 3.44Å; F277-E410 VanDerWaalsContact CE1-CG 3.44Å; F277-E410 HydrophobicContact CZ-CG 4.39Å; E410-R414 IonicContact OE1-NE 3.38Å; E410-R414 IonicContact OE1-NH2 3.85Å; E410-R414 IonicContact OE2-CZ 3.19Å; E410-R414 IonicContact OE2-NE 2.8Å; E410-R414 PolarHBondContact OE2-NE 2.71Å; E410-R414 IonicContact OE2-NH2 2.72Å; E410-R414 PolarHBondContact OE2-NH2 2.97Å
411I89.7Confident85.4Confident4 Ų438.8 Ų38.82%0.02119%0.188CC..  trans-98.7-39.1171.8-52.5166.7000109F174 Y179 R232 H276 F277 H278 T409F174-I411 HydrophobicContact CD2-CD1 4.29Å; F174-I411 HydrophobicContact CD2-CG1 3.87Å; F174-I411 HydrophobicContact CD2-CG2 4.23Å; F174-I411 HydrophobicContact CE2-CB 4.45Å; F174-I411 HydrophobicContact CE2-CD1 3.45Å; F174-I411 VanDerWaalsContact CE2-CD1 3.45Å; F174-I411 HydrophobicContact CE2-CG1 3.54Å; F174-I411 HydrophobicContact CE2-CG2 4.06Å; F174-I411 HydrophobicContact CZ-CD1 4.02Å; F174-I411 HydrophobicContact CZ-CG1 4.42Å; F174-I411 HydrophobicContact CZ-CG2 4.34Å; Y179-I411 HydrophobicContact CE1-CG2 4.42Å; Y179-I411 WeakPolarHBondContact OH-CG2 3.32Å; R232-I411 HydrophobicContact CG-CD1 4.1Å; H276-I411 VanDerWaalsContact CE1-CD1 3.46Å; H276-I411 WeakPolarHBondContact CE1-CD1 3.4Å; H276-I411 PolarHBondContact O-N 3.35Å; F277-I411 VanDerWaalsContact C-CD1 3.47Å; H278-I411 HydrophobicContact CB-CD1 3.93Å; H278-I411 HydrophobicContact CB-CG1 3.91Å; T409-I411 PolarHBondContact O-N 3.19Å
412G84.2Confident87.3Confident2 Ų238 Ų382%0.02118%0.181CC..SBendtrans83.6177.9-168.400000113.7H276H276-G412 PolarHBondContact ND1-O 2.8Å; H276-G412 PolarHBondContact O-N 2.9Å
413P94.6Very high88.7Confident2 Ų230.6 Ų30.61%0.01315%0.149CC..  cis-67.5168.5-6.530.3-34.9000112.8L46 D49 V50 I53 S161 I415L46-P413 HydrophobicContact CD1-CB 3.84Å; L46-P413 HydrophobicContact CD1-CG 4.13Å; D49-P413 HydrophobicContact CB-CB 4.31Å; D49-P413 HydrophobicContact CB-CG 3.99Å; V50-P413 HydrophobicContact CG2-CG 3.85Å; I53-P413 HydrophobicContact CD1-CG 4.13Å; S161-P413 WeakPolarHBondContact O-CB 3.46Å; P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 HydrophobicContact CG-CD1 4.3Å; P413-I415 HydrophobicContact CG-CG1 4.45Å
414R95.3Very high89.8Confident82 Ų8231.7 Ų31.731%0.30916%0.156SC..EExtended strand (participates in β ladder)trans-103.6137.3163.8-61.2171.7-171.9166.90.7107.9Y160 S161 I166 E410Y160-R414 WeakPolarHBondContact CA-O 3.07Å; S161-R414 PolarHBondContact N-O 2.71Å; S161-R414 PolarHBondContact O-N 2.76Å; I166-R414 HydrophobicContact CD1-CB 4.39Å; I166-R414 HydrophobicContact CD1-CG 3.8Å; I166-R414 HydrophobicContact CG1-CG 4.47Å; E410-R414 IonicContact OE1-NE 3.38Å; E410-R414 IonicContact OE1-NH2 3.85Å; E410-R414 IonicContact OE2-CZ 3.19Å; E410-R414 IonicContact OE2-NE 2.8Å; E410-R414 PolarHBondContact OE2-NE 2.71Å; E410-R414 IonicContact OE2-NH2 2.72Å; E410-R414 PolarHBondContact OE2-NH2 2.97Å
415I95.7Very high90.7Very high7 Ų731.2 Ų31.24%0.03615%0.153CC..EExtended strand (participates in β ladder)trans-141.8134.6-179.9-48.1179.5000109.2L46 V50 V157 I274 P413 L417L46-I415 HydrophobicContact CD1-CD1 3.96Å; L46-I415 HydrophobicContact CD1-CG1 4.14Å; L46-I415 HydrophobicContact CG-CD1 4.45Å; V50-I415 HydrophobicContact CG2-CD1 3.66Å; V157-I415 HydrophobicContact CG1-CG2 3.99Å; I274-I415 HydrophobicContact CB-CB 4.46Å; I274-I415 PolarHBondContact N-O 3.29Å; I274-I415 PolarHBondContact O-N 3.04Å; I274-I415 VanDerWaalsContact O-N 3.09Å; P413-I415 HydrophobicContact CB-CG1 4.45Å; P413-I415 HydrophobicContact CG-CD1 4.3Å; P413-I415 HydrophobicContact CG-CG1 4.45Å; I415-L417 HydrophobicContact CG2-CD2 3.67Å; I415-L417 HydrophobicContact CG2-CG 4Å
416T95.9Very high91.1Very high13 Ų1332.1 Ų32.18%0.0816%0.159CC..EExtended strand (participates in β ladder)trans-108.4128.8169660000109.6V157 A158 E159 Y273V157-T416 WeakPolarHBondContact CA-O 3.36Å; A158-T416 PolarHBondContact N-O 3.2Å; E159-T416 WeakPolarHBondContact CA-OG1 3.28Å; E159-T416 HydrophobicContact CB-CG2 4.35Å; E159-T416 VanDerWaalsContact CB-OG1 3.28Å; E159-T416 WeakPolarHBondContact CB-OG1 3.47Å; E159-T416 PolarHBondContact N-OG1 2.98Å; E159-T416 PolarHBondContact O-N 3.09Å; Y273-T416 HydrophobicContact CD1-CG2 3.51Å; Y273-T416 HydrophobicContact CE1-CG2 3.51Å
417L94.8Very high91.1Very high0 Ų029.3 Ų29.30%015%0.145CC..EExtended strand (participates in β ladder)trans-124.9126-171.6-65.8-176.6000111.1L142 F155 R156 V157 I272 I274 I415L142-L417 HydrophobicContact CB-CD2 4.39Å; L142-L417 HydrophobicContact CD2-CD1 3.91Å; L142-L417 HydrophobicContact CD2-CD2 4.16Å; F155-L417 HydrophobicContact CB-CB 4.19Å; F155-L417 HydrophobicContact CB-CD1 4.42Å; F155-L417 HydrophobicContact CB-CD2 4.1Å; F155-L417 HydrophobicContact CB-CG 4.48Å; F155-L417 HydrophobicContact CD1-CB 4.11Å; F155-L417 HydrophobicContact CD1-CD1 4.44Å; F155-L417 HydrophobicContact CG-CB 4.37Å; F155-L417 HydrophobicContact CG-CD1 4.25Å; R156-L417 WeakPolarHBondContact O-CA 3.11Å; V157-L417 HydrophobicContact CB-CD2 4.41Å; V157-L417 HydrophobicContact CG2-CD2 3.83Å; I272-L417 HydrophobicContact CB-CB 4.32Å; I272-L417 WeakPolarHBondContact CB-O 3.48Å; I272-L417 PolarHBondContact N-O 2.9Å; I272-L417 PolarHBondContact O-N 3.46Å; I274-L417 HydrophobicContact CD1-CD1 3.54Å; I274-L417 HydrophobicContact CD1-CG 4.46Å; I274-L417 HydrophobicContact CG1-CD1 4.3Å; I415-L417 HydrophobicContact CG2-CD2 3.67Å; I415-L417 HydrophobicContact CG2-CG 4Å
418N93.2Very high91Very high27 Ų2729.2 Ų29.214%0.14415%0.151CC..EExtended strand (participates in β ladder)trans-105.9118.9172.9-63.421000107.6F155 R156 I420F155-N418 CarbonylContact C-O 3.52Å; F155-N418 WeakPolarHBondContact CA-O 3.33Å; R156-N418 HydrophobicContact CB-CB 4.47Å; R156-N418 PolarHBondContact N-O 2.9Å; R156-N418 PolarHBondContact O-N 2.92Å; N418-I420 PolarHBondContact O-N 2.9Å
419L92.4Very high90.6Very high3 Ų325.9 Ų25.92%0.01614%0.138CC..EExtended strand (participates in β ladder)trans-63.3122.1176179.764.9000109.4F155 V209 I422 Y433F155-L419 HydrophobicContact CD1-CB 4.07Å; F155-L419 HydrophobicContact CD1-CD1 4.01Å; F155-L419 HydrophobicContact CE1-CB 4.08Å; F155-L419 HydrophobicContact CE1-CD1 3.71Å; F155-L419 HydrophobicContact CE1-CG 4.46Å; F155-L419 HydrophobicContact CZ-CD1 4.14Å; V209-L419 HydrophobicContact CG2-CD2 4.03Å; L419-I422 HydrophobicContact CD1-CG1 4.31Å; L419-I422 HydrophobicContact CD2-CD1 4.45Å; L419-I422 HydrophobicContact CD2-CG1 4.47Å; L419-Y433 HydrophobicContact CD2-CD1 3.86Å; L419-Y433 HydrophobicContact CD2-CE1 3.68Å; L419-Y433 HydrophobicContact CG-CD1 4.2Å; L419-Y433 HydrophobicContact CG-CE1 3.91Å
420I91Very high90.4Very high10 Ų1025.8 Ų25.85%0.05114%0.137CC..EExtended strand (participates in β ladder)trans-93.4-55.5174.3-63.6163000109.9Y141 T154 R156 N418 H434 R435 W436Y141-I420 HydrophobicContact CD1-CD1 3.49Å; Y141-I420 VanDerWaalsContact CD1-CD1 3.49Å; Y141-I420 HydrophobicContact CE1-CD1 3.34Å; T154-I420 HydrophobicContact CG2-CD1 4.34Å; T154-I420 WeakPolarHBondContact O-CB 3.44Å; T154-I420 PolarHBondContact O-N 3.03Å; R156-I420 HydrophobicContact CB-CD1 3.73Å; R156-I420 HydrophobicContact CB-CG1 4.08Å; N418-I420 PolarHBondContact O-N 2.9Å; I420-H434 CarbonylContact O-C 3.47Å; I420-H434 VanDerWaalsContact O-CA 3.31Å; I420-H434 WeakPolarHBondContact O-CA 3.46Å; I420-R435 PolarHBondContact O-N 2.87Å; I420-W436 HydrophobicContact CB-CZ3 4.36Å; I420-W436 HydrophobicContact CD1-CH2 4.4Å; I420-W436 HydrophobicContact CG1-CH2 3.87Å; I420-W436 HydrophobicContact CG1-CZ3 4.03Å; I420-W436 HydrophobicContact CG2-CE3 4.13Å; I420-W436 HydrophobicContact CG2-CH2 4.24Å; I420-W436 HydrophobicContact CG2-CZ3 3.53Å
421K91.5Very high90.3Very high48 Ų4824.9 Ų24.921%0.20913%0.134CC..EExtended strand (participates in β ladder)trans-154.9155.3-171.564.5172.6-170.7170.70113.8T154 E423 Y433 H434T154-K421 PolarHBondContact N-O 3.39Å; T154-K421 PolarHBondContact O-N 3.28Å; T154-K421 WeakPolarHBondContact OG1-CE 3.45Å; K421-E423 HydrophobicContact CD-CG 4.1Å; K421-E423 VanDerWaalsContact CE-CD 3.48Å; K421-E423 WeakPolarHBondContact CE-OE1 3.23Å; K421-E423 WeakPolarHBondContact CE-OE2 3.25Å; K421-E423 IonicContact NZ-OE1 3.2Å; K421-E423 PolarHBondContact NZ-OE1 3.3Å; K421-E423 IonicContact NZ-OE2 3.97Å; K421-E423 PolarHBondContact NZ-OE2 3.27Å; K421-Y433 CarbonylContact C-O 3.59Å; K421-Y433 WeakPolarHBondContact CA-O 3.41Å; K421-Y433 VanDerWaalsContact CB-O 3.31Å; K421-Y433 WeakPolarHBondContact CB-O 3.48Å; K421-H434 HydrophobicContact CB-CB 4.41Å
422I93.8Very high90.1Very high0 Ų029.3 Ų29.30%016%0.158CC..EExtended strand (participates in β ladder)trans-116.1127.8169.8-55.8-166.7000107.8L153 H205 L208 V209 L419 L432 Y433L153-I422 HydrophobicContact CD2-CB 4.2Å; L153-I422 HydrophobicContact CD2-CD1 3.82Å; L153-I422 HydrophobicContact CD2-CG1 3.71Å; L153-I422 HydrophobicContact CD2-CG2 3.83Å; H205-I422 HydrophobicContact CB-CD1 3.67Å; L208-I422 HydrophobicContact CB-CD1 4.43Å; L208-I422 HydrophobicContact CD1-CG2 4.43Å; V209-I422 HydrophobicContact CG2-CD1 4.5Å; L419-I422 HydrophobicContact CD1-CG1 4.31Å; L419-I422 HydrophobicContact CD2-CD1 4.45Å; L419-I422 HydrophobicContact CD2-CG1 4.47Å; I422-L432 HydrophobicContact CB-CB 4.32Å; I422-L432 HydrophobicContact CG2-CB 4.08Å; I422-L432 HydrophobicContact CG2-CD1 4.12Å; I422-L432 PolarHBondContact O-N 3.23Å; I422-Y433 HydrophobicContact CG1-CD1 4.32Å; I422-Y433 PolarHBondContact N-O 3.41Å
423E91.7Very high90.4Very high23 Ų2331.8 Ų31.811%0.10717%0.166CC..EExtended strand (participates in β ladder)trans-120.3140176.2-67-177.2143.300110.4S152 K421 T430 V431S152-E423 PolarHBondContact N-O 2.96Å; S152-E423 PolarHBondContact O-N 3.27Å; K421-E423 HydrophobicContact CD-CG 4.1Å; K421-E423 VanDerWaalsContact CE-CD 3.48Å; K421-E423 WeakPolarHBondContact CE-OE1 3.23Å; K421-E423 WeakPolarHBondContact CE-OE2 3.25Å; K421-E423 IonicContact NZ-OE1 3.2Å; K421-E423 PolarHBondContact NZ-OE1 3.3Å; K421-E423 IonicContact NZ-OE2 3.97Å; K421-E423 PolarHBondContact NZ-OE2 3.27Å; E423-T430 CarbonylContact C-O 3.53Å; E423-T430 VanDerWaalsContact CA-O 3.32Å; E423-T430 WeakPolarHBondContact CA-O 3.47Å; E423-V431 HydrophobicContact CG-CG2 4.08Å
424E90.2Very high90.1Very high100 Ų10033.6 Ų33.647%0.46718%0.175SC..SBendtrans-68.8151.6166.9-171-174.5-167.500110.4G429 T430E424-G429 VanDerWaalsContact O-CA 3.26Å; E424-G429 WeakPolarHBondContact O-CA 3.48Å; E424-G429 PolarHBondContact O-N 3.4Å; E424-T430 WeakPolarHBondContact CB-OG1 3.16Å; E424-T430 PolarHBondContact N-O 3.09Å; E424-T430 WeakPolarHBondContact OE2-CG2 3.22Å; E424-T430 PolarHBondContact OE2-OG1 3.27Å
425G89.2Confident89.6Confident17 Ų1731.9 Ų31.918%0.17517%0.168CC..THydrogen-bonded Turntrans66.6-149.2-179.600000113.1H149 G150H149-G425 WeakPolarHBondContact O-CA 3.44Å; G150-G425 VanDerWaalsContact CA-O 3.25Å; G150-G425 WeakPolarHBondContact CA-O 3.4Å
426V88.5Confident89Confident27 Ų2738 Ų3816%0.16419%0.191CC..THydrogen-bonded Turntrans-112.973.1-174.1-174.80000110.3I74 I145 T428I74-V426 HydrophobicContact CD1-CB 4.49Å; I74-V426 HydrophobicContact CD1-CG1 3.48Å; I74-V426 VanDerWaalsContact CD1-CG1 3.48Å; I74-V426 HydrophobicContact CG1-CG1 4.29Å; I145-V426 HydrophobicContact CD1-CG1 4.08Å; I145-V426 HydrophobicContact CG2-CB 4.45Å; I145-V426 HydrophobicContact CG2-CG1 4.08Å; I145-V426 HydrophobicContact CG2-CG2 4.08Å; V426-T428 VanDerWaalsContact C-N 3.3Å; V426-T428 PolarHBondContact O-N 3.03Å
427N83.2Confident88.2Confident39 Ų3942.3 Ų42.321%0.20921%0.21CC..THydrogen-bonded Turntrans60.529.4-176.5-47.5-48.7000114.6L70 Y87 I145 S152L70-N427 WeakPolarHBondContact CD2-ND2 3.1Å; Y87-N427 PolarHBondContact OH-ND2 2.85Å; I145-N427 WeakPolarHBondContact CD1-ND2 3.33Å; S152-N427 PolarHBondContact OG-OD1 3.12Å
428T83.5Confident87.5Confident60 Ų6048.9 Ų48.937%0.36825%0.25SS..THydrogen-bonded Turntrans-142.7-7.3-177.559.20000115.9V426 L451V426-T428 VanDerWaalsContact C-N 3.3Å; V426-T428 PolarHBondContact O-N 3.03Å; T428-L451 WeakPolarHBondContact O-CD2 3.49Å
429G82.8Confident86.8Confident17 Ų1751.5 Ų51.518%0.17526%0.258CS..SBendtrans-87.4-157.8-17900000113.8E424 L451E424-G429 VanDerWaalsContact O-CA 3.26Å; E424-G429 WeakPolarHBondContact O-CA 3.48Å; E424-G429 PolarHBondContact O-N 3.4Å; G429-L451 VanDerWaalsContact O-CD1 3.27Å; G429-L451 WeakPolarHBondContact O-CD1 3.37Å
430T86.8Confident86.3Confident25 Ų2554.7 Ų54.715%0.15328%0.278CS..  trans-63.7157.4174.461.90000111.6E423 E424 L451E423-T430 CarbonylContact C-O 3.53Å; E423-T430 VanDerWaalsContact CA-O 3.32Å; E423-T430 WeakPolarHBondContact CA-O 3.47Å; E424-T430 WeakPolarHBondContact CB-OG1 3.16Å; E424-T430 PolarHBondContact N-O 3.09Å; E424-T430 WeakPolarHBondContact OE2-CG2 3.22Å; E424-T430 PolarHBondContact OE2-OG1 3.27Å; T430-L451 HydrophobicContact CG2-CD1 4.43Å
431V88.1Confident85.8Confident16 Ų1661.7 Ų61.710%0.09731%0.313CS..EExtended strand (participates in β ladder)trans-100.1111.1174.1172.40000107.5E423 H434E423-V431 HydrophobicContact CG-CG2 4.08Å; V431-H434 HydrophobicContact CG1-CB 4.05Å
432L86.7Confident85.4Confident98 Ų9864.6 Ų64.651%0.51333%0.334SS..EExtended strand (participates in β ladder)trans-86.3-23.9-175.7-56.9179.8000112.7L208 I422L208-L432 HydrophobicContact CD1-CD1 4.46Å; I422-L432 HydrophobicContact CB-CB 4.32Å; I422-L432 HydrophobicContact CG2-CB 4.08Å; I422-L432 HydrophobicContact CG2-CD1 4.12Å; I422-L432 PolarHBondContact O-N 3.23Å
433Y88.7Confident84.9Confident53 Ų5368.7 Ų68.721%0.20835%0.354CS..EExtended strand (participates in β ladder)trans-157144.2177170.8-98.6000109.9H205 L419 K421 I422H205-Y433 HydrophobicContact CB-CD2 4.28Å; H205-Y433 HydrophobicContact CB-CG 4.04Å; H205-Y433 AromaticContact CE1-CD2 3.82Å; H205-Y433 AromaticContact CE1-CE2 3.62Å; H205-Y433 AromaticContact CG-CD2 3.82Å; H205-Y433 AromaticContact ND1-CD2 3.52Å; H205-Y433 AromaticContact ND1-CE2 3.83Å; H205-Y433 AromaticContact NE2-CE2 3.89Å; L419-Y433 HydrophobicContact CD2-CD1 3.86Å; L419-Y433 HydrophobicContact CD2-CE1 3.68Å; L419-Y433 HydrophobicContact CG-CD1 4.2Å; L419-Y433 HydrophobicContact CG-CE1 3.91Å; K421-Y433 CarbonylContact C-O 3.59Å; K421-Y433 WeakPolarHBondContact CA-O 3.41Å; K421-Y433 VanDerWaalsContact CB-O 3.31Å; K421-Y433 WeakPolarHBondContact CB-O 3.48Å; I422-Y433 HydrophobicContact CG1-CD1 4.32Å; I422-Y433 PolarHBondContact N-O 3.41Å
434H88.9Confident84.3Confident41 Ų4170.2 Ų70.219%0.1936%0.362CS..EExtended strand (participates in β ladder)trans-151.4119.3173.1-171-84.6000111.4I420 K421 V431 W436 Q437I420-H434 CarbonylContact O-C 3.47Å; I420-H434 VanDerWaalsContact O-CA 3.31Å; I420-H434 WeakPolarHBondContact O-CA 3.46Å; K421-H434 HydrophobicContact CB-CB 4.41Å; V431-H434 HydrophobicContact CG1-CB 4.05Å; H434-W436 AromaticContact CE1-CE3 3.89Å; H434-W436 PolarHBondContact ND1-N 2.95Å; H434-W436 PolarHBondContact O-N 3.45Å; H434-Q437 HydrophobicContact CB-CB 4.36Å; H434-Q437 WeakPolarHBondContact ND1-CB 3.4Å; H434-Q437 PolarHBondContact ND1-N 2.64Å; H434-Q437 PolarHBondContact O-N 2.88Å; H434-Q437 VanDerWaalsContact O-N 3.11Å
435R85.5Confident83.9Confident45 Ų4567.7 Ų67.717%0.1736%0.358CS..THydrogen-bonded Turntrans-52.2-34.8-171.4-173.3-178.5-176.5127.4-14.3114.7N269 D270 I420N269-R435 PolarHBondContact OD1-NH2 2.83Å; D270-R435 PolarHBondContact O-NH1 2.63Å; I420-R435 PolarHBondContact O-N 2.87Å
436W82.5Confident83.7Confident137 Ų13772.7 Ų72.752%0.51938%0.377SS..THydrogen-bonded Turntrans-111.75.7-175.9-49.9-68.1000114.3I420 H434I420-W436 HydrophobicContact CB-CZ3 4.36Å; I420-W436 HydrophobicContact CD1-CH2 4.4Å; I420-W436 HydrophobicContact CG1-CH2 3.87Å; I420-W436 HydrophobicContact CG1-CZ3 4.03Å; I420-W436 HydrophobicContact CG2-CE3 4.13Å; I420-W436 HydrophobicContact CG2-CH2 4.24Å; I420-W436 HydrophobicContact CG2-CZ3 3.53Å; H434-W436 AromaticContact CE1-CE3 3.89Å; H434-W436 PolarHBondContact ND1-N 2.95Å; H434-W436 PolarHBondContact O-N 3.45Å
437Q80Confident83.4Confident103 Ų10372.9 Ų72.948%0.48138%0.376SS..  trans-147.594.6-177.2-65.6-172.9-20.500111.1H434 R439H434-Q437 HydrophobicContact CB-CB 4.36Å; H434-Q437 WeakPolarHBondContact ND1-CB 3.4Å; H434-Q437 PolarHBondContact ND1-N 2.64Å; H434-Q437 PolarHBondContact O-N 2.88Å; H434-Q437 VanDerWaalsContact O-N 3.11Å; Q437-R439 PolarHBondContact O-N 2.85Å
438T78.9Confident83.4Confident137 Ų13773.5 Ų73.584%0.8438%0.383SS*.PPolyproline II helixtrans-72.1119161.5-52.60000108
439R78.2Confident83.5Confident82 Ų8275.4 Ų75.431%0.30939%0.388SS..PPolyproline II helixtrans-90.8141177-67.5176.2178.5-116-27.5109.6Q437 E443 L444Q437-R439 PolarHBondContact O-N 2.85Å; R439-E443 HydrophobicContact CB-CB 4.34Å; R439-L444 HydrophobicContact CB-CD2 3.87Å; R439-L444 HydrophobicContact CB-CG 3.89Å
440T82.2Confident83.6Confident71 Ų7177.1 Ų77.144%0.43640%0.397SS..PPolyproline II helixtrans-67.8157.7171.861.10000111.3T442 E443 L444T440-T442 PolarHBondContact O-N 2.94Å; T440-T442 PolarHBondContact OG1-OG1 2.89Å; T440-E443 WeakPolarHBondContact CB-OE1 3.31Å; T440-E443 VanDerWaalsContact CG2-OE1 3.3Å; T440-E443 WeakPolarHBondContact CG2-OE1 3.07Å; T440-E443 PolarHBondContact N-OE1 2.86Å; T440-E443 VanDerWaalsContact N-OE1 3.07Å; T440-E443 WeakPolarHBondContact O-CB 3.41Å; T440-E443 PolarHBondContact O-N 3.06Å; T440-E443 VanDerWaalsContact OG1-CD 3.28Å; T440-E443 VanDerWaalsContact OG1-CG 3.25Å; T440-E443 WeakPolarHBondContact OG1-CG 3.4Å; T440-E443 PolarHBondContact OG1-N 2.92Å; T440-E443 PolarHBondContact OG1-OE1 3.5Å; T440-L444 WeakPolarHBondContact O-CG 3.44Å; T440-L444 PolarHBondContact O-N 3.16Å
441M80Confident83.5Confident157 Ų15777.3 Ų77.377%0.77340%0.397SS*.Hα-helixtrans-61.7-31.9179.7-68.9-63.6-70.900112.6L444 A445M441-L444 PolarHBondContact O-N 3.36Å; M441-L444 HydrophobicContact SD-CD1 4.18Å; M441-A445 PolarHBondContact O-N 3.49Å
442T85Confident83.3Confident108 Ų10885 Ų8566%0.66342%0.424SS*.Hα-helixtrans-70.5-41.1174.9460000112.2T440 L444 A445 H446T440-T442 PolarHBondContact O-N 2.94Å; T440-T442 PolarHBondContact OG1-OG1 2.89Å; T442-L444 VanDerWaalsContact C-N 3.34Å; T442-L444 PolarHBondContact O-N 3.15Å; T442-A445 PolarHBondContact O-N 3.24Å; T442-H446 WeakPolarHBondContact O-CB 3.4Å; T442-H446 PolarHBondContact O-N 3.25Å
443E83Confident83.4Confident87 Ų8785.9 Ų85.941%0.40743%0.425SS..Hα-helixtrans-61.6-39.8170.6-76.4164.2-107.700112.6R439 T440 H446 Q447R439-E443 HydrophobicContact CB-CB 4.34Å; T440-E443 WeakPolarHBondContact CB-OE1 3.31Å; T440-E443 VanDerWaalsContact CG2-OE1 3.3Å; T440-E443 WeakPolarHBondContact CG2-OE1 3.07Å; T440-E443 PolarHBondContact N-OE1 2.86Å; T440-E443 VanDerWaalsContact N-OE1 3.07Å; T440-E443 WeakPolarHBondContact O-CB 3.41Å; T440-E443 PolarHBondContact O-N 3.06Å; T440-E443 VanDerWaalsContact OG1-CD 3.28Å; T440-E443 VanDerWaalsContact OG1-CG 3.25Å; T440-E443 WeakPolarHBondContact OG1-CG 3.4Å; T440-E443 PolarHBondContact OG1-N 2.92Å; T440-E443 PolarHBondContact OG1-OE1 3.5Å; E443-H446 PolarHBondContact O-N 2.87Å; E443-Q447 VanDerWaalsContact O-CB 3.24Å; E443-Q447 WeakPolarHBondContact O-CB 3.46Å; E443-Q447 PolarHBondContact O-N 2.95Å
444L78.4Confident83.4Confident55 Ų5589.6 Ų89.629%0.28844%0.439SS..Hα-helixtrans-65.8-42.9177.9-71.1172.6000111.2R439 T440 M441 T442 Q447 S448R439-L444 HydrophobicContact CB-CD2 3.87Å; R439-L444 HydrophobicContact CB-CG 3.89Å; T440-L444 WeakPolarHBondContact O-CG 3.44Å; T440-L444 PolarHBondContact O-N 3.16Å; M441-L444 PolarHBondContact O-N 3.36Å; M441-L444 HydrophobicContact SD-CD1 4.18Å; T442-L444 VanDerWaalsContact C-N 3.34Å; T442-L444 PolarHBondContact O-N 3.15Å; L444-Q447 PolarHBondContact O-N 3.19Å; L444-S448 PolarHBondContact O-N 2.92Å
445A82.3Confident83.1Confident47 Ų4792.2 Ų92.239%0.38845%0.451SS..Hα-helixtrans-58.3-55.6172.100000110.9M441 T442 Q447 S448 E449M441-A445 PolarHBondContact O-N 3.49Å; T442-A445 PolarHBondContact O-N 3.24Å; A445-Q447 VanDerWaalsContact C-N 3.3Å; A445-Q447 PolarHBondContact O-N 2.93Å; A445-S448 WeakPolarHBondContact O-CA 3.11Å; A445-S448 WeakPolarHBondContact O-CB 3.24Å; A445-S448 PolarHBondContact O-N 3.35Å; A445-S448 PolarHBondContact O-OG 3.37Å; A445-E449 PolarHBondContact O-N 3.25Å
446H85.3Confident83.3Confident122 Ų12294.6 Ų94.657%0.56547%0.467SS*.Hα-helixtrans-60.9-35.1179.7-177-111.8000113T442 E443 E449 C450T442-H446 WeakPolarHBondContact O-CB 3.4Å; T442-H446 PolarHBondContact O-N 3.25Å; E443-H446 PolarHBondContact O-N 2.87Å; H446-E449 PolarHBondContact O-N 2.99Å; H446-C450 VanDerWaalsContact CE1-SG 3.56Å; H446-C450 VanDerWaalsContact O-CB 3.31Å; H446-C450 WeakPolarHBondContact O-CB 3.32Å; H446-C450 PolarHBondContact O-N 2.78Å; H446-C450 PolarHBondContact O-SG 3.38Å
447Q82.1Confident83.7Confident31 Ų3192.7 Ų92.715%0.14547%0.466CS..Hα-helixtrans-61.9-47.3170.9175.7177.6-500111.2E443 L444 A445 E449 C450 L451E443-Q447 VanDerWaalsContact O-CB 3.24Å; E443-Q447 WeakPolarHBondContact O-CB 3.46Å; E443-Q447 PolarHBondContact O-N 2.95Å; L444-Q447 PolarHBondContact O-N 3.19Å; A445-Q447 VanDerWaalsContact C-N 3.3Å; A445-Q447 PolarHBondContact O-N 2.93Å; Q447-E449 VanDerWaalsContact C-N 3.31Å; Q447-E449 PolarHBondContact O-N 2.94Å; Q447-C450 PolarHBondContact O-N 2.85Å; Q447-L451 HydrophobicContact CG-CD1 4.04Å; Q447-L451 WeakPolarHBondContact O-CB 3.25Å; Q447-L451 VanDerWaalsContact O-CG 3.26Å; Q447-L451 WeakPolarHBondContact O-CG 3.3Å; Q447-L451 PolarHBondContact O-N 2.83Å
448S82.3Confident84.1Confident51 Ų5191.4 Ų91.436%0.35746%0.457SS..Hα-helixtrans-62.3-39.4179.480.40000111.6L444 A445 L451 R452L444-S448 PolarHBondContact O-N 2.92Å; A445-S448 WeakPolarHBondContact O-CA 3.11Å; A445-S448 WeakPolarHBondContact O-CB 3.24Å; A445-S448 PolarHBondContact O-N 3.35Å; A445-S448 PolarHBondContact O-OG 3.37Å; S448-L451 PolarHBondContact O-N 3.28Å; S448-R452 WeakPolarHBondContact O-CB 3.21Å; S448-R452 PolarHBondContact O-N 3.44Å
449E84.7Confident84.6Confident100 Ų10087.3 Ų87.347%0.46744%0.437SS..Hα-helixtrans-67.9-47176.2-69-175.5162.700112.3A445 H446 Q447 L451 R452 Q453A445-E449 PolarHBondContact O-N 3.25Å; H446-E449 PolarHBondContact O-N 2.99Å; Q447-E449 VanDerWaalsContact C-N 3.31Å; Q447-E449 PolarHBondContact O-N 2.94Å; E449-L451 PolarHBondContact O-N 2.85Å; E449-R452 PolarHBondContact O-N 2.87Å; E449-R452 VanDerWaalsContact O-N 3.16Å; E449-Q453 WeakPolarHBondContact O-CB 3.1Å; E449-Q453 VanDerWaalsContact O-CG 3.31Å; E449-Q453 WeakPolarHBondContact O-CG 3.47Å; E449-Q453 PolarHBondContact O-N 2.88Å
450C86.6Confident85.3Confident54 Ų5490.8 Ų90.837%0.36546%0.455SS..Hα-helixtrans-54.8-39.8173.7-77.40000111.8H446 Q447 R454H446-C450 VanDerWaalsContact CE1-SG 3.56Å; H446-C450 VanDerWaalsContact O-CB 3.31Å; H446-C450 WeakPolarHBondContact O-CB 3.32Å; H446-C450 PolarHBondContact O-N 2.78Å; H446-C450 PolarHBondContact O-SG 3.38Å; Q447-C450 PolarHBondContact O-N 2.85Å; C450-R454 WeakPolarHBondContact O-CB 3.27Å; C450-R454 PolarHBondContact O-N 3.08Å
451L83.5Confident85.6Confident28 Ų2894 Ų9415%0.14746%0.459CS..Hα-helixtrans-70.1-47.3176.1-69.7172.6000111.7T428 G429 T430 Q447 S448 E449 Q453 R454 E455T428-L451 WeakPolarHBondContact O-CD2 3.49Å; G429-L451 VanDerWaalsContact O-CD1 3.27Å; G429-L451 WeakPolarHBondContact O-CD1 3.37Å; T430-L451 HydrophobicContact CG2-CD1 4.43Å; Q447-L451 HydrophobicContact CG-CD1 4.04Å; Q447-L451 WeakPolarHBondContact O-CB 3.25Å; Q447-L451 VanDerWaalsContact O-CG 3.26Å; Q447-L451 WeakPolarHBondContact O-CG 3.3Å; Q447-L451 PolarHBondContact O-N 2.83Å; S448-L451 PolarHBondContact O-N 3.28Å; E449-L451 PolarHBondContact O-N 2.85Å; L451-Q453 PolarHBondContact O-N 2.83Å; L451-R454 CarbonylContact O-C 3.59Å; L451-R454 WeakPolarHBondContact O-CB 3.28Å; L451-R454 PolarHBondContact O-N 3.37Å; L451-E455 WeakPolarHBondContact O-CG 3.47Å; L451-E455 PolarHBondContact O-N 3.29Å
452R84.7Confident86.1Confident179 Ų17994.9 Ų94.968%0.67545%0.454SS*.Hα-helixtrans-56-49.4174.6178.7-179.7172-170.3-2.5111.9S448 E449 R454 E455 L456S448-R452 WeakPolarHBondContact O-CB 3.21Å; S448-R452 PolarHBondContact O-N 3.44Å; E449-R452 PolarHBondContact O-N 2.87Å; E449-R452 VanDerWaalsContact O-N 3.16Å; R452-R454 PolarHBondContact O-N 3.06Å; R452-E455 PolarHBondContact O-N 3.03Å; R452-L456 HydrophobicContact CG-CD1 4.2Å; R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.13Å
453Q88.6Confident86.4Confident116 Ų11692.5 Ų92.554%0.54245%0.445SS..Hα-helixtrans-58.9-45.9175.3-70.3178.917.800111.4E449 L451 E455 L456 L457E449-Q453 WeakPolarHBondContact O-CB 3.1Å; E449-Q453 VanDerWaalsContact O-CG 3.31Å; E449-Q453 WeakPolarHBondContact O-CG 3.47Å; E449-Q453 PolarHBondContact O-N 2.88Å; L451-Q453 PolarHBondContact O-N 2.83Å; Q453-E455 VanDerWaalsContact C-N 3.26Å; Q453-E455 PolarHBondContact O-N 3.45Å; Q453-L456 PolarHBondContact O-N 3.25Å; Q453-L457 WeakPolarHBondContact O-CB 3.19Å; Q453-L457 VanDerWaalsContact O-CG 3.3Å; Q453-L457 WeakPolarHBondContact O-CG 3.35Å; Q453-L457 PolarHBondContact O-N 2.75Å
454R88.3Confident86.9Confident130 Ų13092.6 Ų92.649%0.49145%0.445SS..Hα-helixtrans-62.2-33.2177.3-173.7-173.7-163.8-166.110.6112.5C450 L451 R452 R458C450-R454 WeakPolarHBondContact O-CB 3.27Å; C450-R454 PolarHBondContact O-N 3.08Å; L451-R454 CarbonylContact O-C 3.59Å; L451-R454 WeakPolarHBondContact O-CB 3.28Å; L451-R454 PolarHBondContact O-N 3.37Å; R452-R454 PolarHBondContact O-N 3.06Å; R454-R458 VanDerWaalsContact O-CD 3.3Å; R454-R458 WeakPolarHBondContact O-CD 3.48Å; R454-R458 WeakPolarHBondContact O-CG 3.23Å; R454-R458 PolarHBondContact O-N 3.39Å; R454-R458 VanDerWaalsContact O-N 3.09Å
455E83.6Confident87.4Confident96 Ų9695.4 Ų95.445%0.44946%0.457SS..Hα-helixtrans-78.5-39.7176.8-69.4-166.8157.100112.7L451 R452 Q453 L457 R458 A459L451-E455 WeakPolarHBondContact O-CG 3.47Å; L451-E455 PolarHBondContact O-N 3.29Å; R452-E455 PolarHBondContact O-N 3.03Å; Q453-E455 VanDerWaalsContact C-N 3.26Å; Q453-E455 PolarHBondContact O-N 3.45Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 2.95Å; E455-R458 CarbonylContact O-C 3.44Å; E455-R458 WeakPolarHBondContact O-CA 3.41Å; E455-R458 WeakPolarHBondContact O-CB 3.48Å; E455-R458 PolarHBondContact O-N 3.1Å; E455-R458 IonicContact OE1-NH1 3.88Å; E455-A459 WeakPolarHBondContact O-CB 3.33Å; E455-A459 PolarHBondContact O-N 2.69Å
456L89.3Confident87.8Confident96 Ų9698.3 Ų98.350%0.50346%0.463SS..Hα-helixtrans-58.7-43.7167.9-68.1169.7000111.4R452 Q453 R458 A459 K460R452-L456 HydrophobicContact CG-CD1 4.2Å; R452-L456 WeakPolarHBondContact O-CG 3.42Å; R452-L456 PolarHBondContact O-N 3.13Å; Q453-L456 PolarHBondContact O-N 3.25Å; L456-R458 PolarHBondContact O-N 3.19Å; L456-A459 PolarHBondContact O-N 2.95Å; L456-K460 WeakPolarHBondContact O-CG 3.43Å; L456-K460 PolarHBondContact O-N 2.81Å
457L90Very high88.1Confident96 Ų9695.5 Ų95.550%0.50346%0.46SS..Hα-helixtrans-67.8-17.2173.5-72.7171.2000113.7Q453 E455 R461Q453-L457 WeakPolarHBondContact O-CB 3.19Å; Q453-L457 VanDerWaalsContact O-CG 3.3Å; Q453-L457 WeakPolarHBondContact O-CG 3.35Å; Q453-L457 PolarHBondContact O-N 2.75Å; E455-L457 VanDerWaalsContact C-N 3.33Å; E455-L457 PolarHBondContact O-N 2.95Å; L457-R461 PolarHBondContact O-NE 3.33Å; L457-R461 PolarHBondContact O-NH2 3.33Å; L457-R461 VanDerWaalsContact O-NH2 3.15Å
458R88.6Confident88.6Confident76 Ų7699.8 Ų99.829%0.28748%0.475SS..Hα-helixtrans-86.7-37.6169.6-75.4158.7167178.8-4.9111R454 E455 L456 R462R454-R458 VanDerWaalsContact O-CD 3.3Å; R454-R458 WeakPolarHBondContact O-CD 3.48Å; R454-R458 WeakPolarHBondContact O-CG 3.23Å; R454-R458 PolarHBondContact O-N 3.39Å; R454-R458 VanDerWaalsContact O-N 3.09Å; E455-R458 CarbonylContact O-C 3.44Å; E455-R458 WeakPolarHBondContact O-CA 3.41Å; E455-R458 WeakPolarHBondContact O-CB 3.48Å; E455-R458 PolarHBondContact O-N 3.1Å; E455-R458 IonicContact OE1-NH1 3.88Å; L456-R458 PolarHBondContact O-N 3.19Å; R458-R462 WeakPolarHBondContact O-CG 3.34Å; R458-R462 PolarHBondContact O-N 3.44Å
459A89.6Confident89.1Confident52 Ų52104.1 Ų104.143%0.4348%0.484SS..Hα-helixtrans-65-50.4176.800000111.1E455 L456 R461 R462 A463E455-A459 WeakPolarHBondContact O-CB 3.33Å; E455-A459 PolarHBondContact O-N 2.69Å; L456-A459 PolarHBondContact O-N 2.95Å; A459-R461 PolarHBondContact O-N 3.22Å; A459-R462 WeakPolarHBondContact O-CB 3.48Å; A459-R462 PolarHBondContact O-N 3.17Å; A459-A463 PolarHBondContact O-N 3.38Å
460K92.8Very high89.5Confident154 Ų154102 Ų10267%0.6748%0.483SS*.Hα-helixtrans-51.5-51.2174.4-72.9-174.8176.2-170.80111.8L456 R462 A463 E464L456-K460 WeakPolarHBondContact O-CG 3.43Å; L456-K460 PolarHBondContact O-N 2.81Å; K460-R462 PolarHBondContact O-N 2.89Å; K460-A463 PolarHBondContact O-N 2.92Å; K460-E464 WeakPolarHBondContact O-CB 3.11Å; K460-E464 PolarHBondContact O-N 3.29Å
461R89.5Confident89.8Confident138 Ų138101.5 Ų101.552%0.52148%0.483SS..Hα-helixtrans-63.8-33.2176.5-82-179.5-73.8-163-11.7114L457 A459 H465L457-R461 PolarHBondContact O-NE 3.33Å; L457-R461 PolarHBondContact O-NH2 3.33Å; L457-R461 VanDerWaalsContact O-NH2 3.15Å; A459-R461 PolarHBondContact O-N 3.22Å; R461-H465 WeakPolarHBondContact O-CB 3.38Å; R461-H465 PolarHBondContact O-CD2 2.8Å; R461-H465 PolarHBondContact O-N 2.68Å
462R89.9Confident90.3Very high176 Ų176104.6 Ų104.666%0.66450%0.5SS*.Hα-helixtrans-67.7-48.8173.6-75.9177.1-166.3177.47.6111R458 A459 K460 E464 H465 E466R458-R462 WeakPolarHBondContact O-CG 3.34Å; R458-R462 PolarHBondContact O-N 3.44Å; A459-R462 WeakPolarHBondContact O-CB 3.48Å; A459-R462 PolarHBondContact O-N 3.17Å; K460-R462 PolarHBondContact O-N 2.89Å; R462-E464 VanDerWaalsContact C-N 3.3Å; R462-E464 PolarHBondContact O-N 3.38Å; R462-H465 CarbonylContact O-C 3.44Å; R462-H465 PolarHBondContact O-N 3.28Å; R462-H465 VanDerWaalsContact O-N 3.13Å; R462-E466 WeakPolarHBondContact O-CB 3.49Å; R462-E466 PolarHBondContact O-N 3.5Å
463A92Very high90.6Very high59 Ų59102 Ų10249%0.48850%0.495SS..Hα-helixtrans-59.4-41177.400000111.6A459 K460 E466 A467A459-A463 PolarHBondContact O-N 3.38Å; K460-A463 PolarHBondContact O-N 2.92Å; A463-E466 WeakPolarHBondContact O-CB 3.48Å; A463-E466 PolarHBondContact O-N 3.39Å; A463-E466 VanDerWaalsContact O-N 3.09Å; A463-A467 WeakPolarHBondContact O-CB 3.46Å; A463-A467 PolarHBondContact O-N 3.21Å
464E92.4Very high90.8Very high88 Ų8899.2 Ų99.241%0.41149%0.492SS..Hα-helixtrans-62.7-41.8173.5-169.6-144.1127.200112.7K460 R462 E466 R468K460-E464 WeakPolarHBondContact O-CB 3.11Å; K460-E464 PolarHBondContact O-N 3.29Å; R462-E464 VanDerWaalsContact C-N 3.3Å; R462-E464 PolarHBondContact O-N 3.38Å; E464-E466 VanDerWaalsContact C-N 3.26Å; E464-E466 PolarHBondContact O-N 3.01Å; E464-R468 VanDerWaalsContact O-CB 3.25Å; E464-R468 WeakPolarHBondContact O-CB 3.28Å; E464-R468 PolarHBondContact O-N 2.84Å; E464-R468 VanDerWaalsContact O-N 3.08Å; E464-R468 IonicContact OE1-CZ 2.71Å; E464-R468 VanDerWaalsContact OE1-CZ 3.27Å; E464-R468 IonicContact OE1-NH1 3.18Å; E464-R468 PolarHBondContact OE1-NH1 3.33Å; E464-R468 IonicContact OE1-NH2 2.64Å; E464-R468 PolarHBondContact OE1-NH2 3Å
465H89.9Confident91Very high115 Ų11599.1 Ų99.153%0.53250%0.497SS..Hα-helixtrans-73.4-11.9171.7-76.7-59.1000114.2R461 R462 R469R461-H465 WeakPolarHBondContact O-CB 3.38Å; R461-H465 PolarHBondContact O-CD2 2.8Å; R461-H465 PolarHBondContact O-N 2.68Å; R462-H465 CarbonylContact O-C 3.44Å; R462-H465 PolarHBondContact O-N 3.28Å; R462-H465 VanDerWaalsContact O-N 3.13Å; H465-R469 WeakPolarHBondContact O-CG 3.43Å; H465-R469 PolarHBondContact O-NE 3.31Å
466E90Very high91.4Very high108 Ų108104 Ų10451%0.50551%0.511SS..Hα-helixtrans-90.8-53.3176.6-165.6119.3-109.500109.9R462 A463 E464 R468 R469 A470R462-E466 WeakPolarHBondContact O-CB 3.49Å; R462-E466 PolarHBondContact O-N 3.5Å; A463-E466 WeakPolarHBondContact O-CB 3.48Å; A463-E466 PolarHBondContact O-N 3.39Å; A463-E466 VanDerWaalsContact O-N 3.09Å; E464-E466 VanDerWaalsContact C-N 3.26Å; E464-E466 PolarHBondContact O-N 3.01Å; E466-R468 VanDerWaalsContact C-N 3.28Å; E466-R468 PolarHBondContact O-N 3.2Å; E466-R469 VanDerWaalsContact CD-NH2 3.35Å; E466-R469 WeakPolarHBondContact O-CA 3.49Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.72Å; E466-R469 IonicContact OE1-CZ 2.89Å; E466-R469 IonicContact OE1-NH1 3.06Å; E466-R469 IonicContact OE1-NH2 2.99Å; E466-R469 PolarHBondContact OE1-NH2 2.88Å; E466-A470 PolarHBondContact O-N 3.38Å
467A92.9Very high91.5Very high63 Ų63105.1 Ų105.152%0.52151%0.514SS..Hα-helixtrans-53.8-43.2171.900000111.8A463 R469 A470 A471A463-A467 WeakPolarHBondContact O-CB 3.46Å; A463-A467 PolarHBondContact O-N 3.21Å; A467-R469 VanDerWaalsContact C-N 3.32Å; A467-R469 PolarHBondContact O-N 2.69Å; A467-A470 PolarHBondContact O-N 3.42Å; A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 3.15Å
468R92.2Very high91.7Very high121 Ų121102.9 Ų102.946%0.45751%0.509SS..Hα-helixtrans-66.2-29.2174.9-169.2-177.6-68112.4-10.7113.4E464 E466 N472E464-R468 VanDerWaalsContact O-CB 3.25Å; E464-R468 WeakPolarHBondContact O-CB 3.28Å; E464-R468 PolarHBondContact O-N 2.84Å; E464-R468 VanDerWaalsContact O-N 3.08Å; E464-R468 IonicContact OE1-CZ 2.71Å; E464-R468 VanDerWaalsContact OE1-CZ 3.27Å; E464-R468 IonicContact OE1-NH1 3.18Å; E464-R468 PolarHBondContact OE1-NH1 3.33Å; E464-R468 IonicContact OE1-NH2 2.64Å; E464-R468 PolarHBondContact OE1-NH2 3Å; E466-R468 VanDerWaalsContact C-N 3.28Å; E466-R468 PolarHBondContact O-N 3.2Å; R468-N472 WeakPolarHBondContact O-CB 3.24Å; R468-N472 PolarHBondContact O-N 3.28Å; R468-N472 PolarHBondContact O-OD1 3.3Å
469R92.2Very high91.9Very high142 Ų142105.3 Ų105.354%0.53652%0.524SS..Hα-helixtrans-75-44.7172.4-80.3-178.8-65.9121.8-0.4111.1H465 E466 A467 A471 N472 E473H465-R469 WeakPolarHBondContact O-CG 3.43Å; H465-R469 PolarHBondContact O-NE 3.31Å; E466-R469 VanDerWaalsContact CD-NH2 3.35Å; E466-R469 WeakPolarHBondContact O-CA 3.49Å; E466-R469 WeakPolarHBondContact O-CB 3.45Å; E466-R469 PolarHBondContact O-N 2.72Å; E466-R469 IonicContact OE1-CZ 2.89Å; E466-R469 IonicContact OE1-NH1 3.06Å; E466-R469 IonicContact OE1-NH2 2.99Å; E466-R469 PolarHBondContact OE1-NH2 2.88Å; A467-R469 VanDerWaalsContact C-N 3.32Å; A467-R469 PolarHBondContact O-N 2.69Å; R469-A471 VanDerWaalsContact C-N 3.35Å; R469-A471 PolarHBondContact O-N 3.14Å; R469-N472 PolarHBondContact O-N 2.94Å; R469-E473 VanDerWaalsContact O-CB 3.31Å; R469-E473 WeakPolarHBondContact O-CB 3.43Å; R469-E473 PolarHBondContact O-N 3Å
470A93.3Very high92Very high55 Ų55110.7 Ų110.746%0.45553%0.533SS..Hα-helixtrans-62.4-39.8178.200000112.2E466 A467 E473 A474E466-A470 PolarHBondContact O-N 3.38Å; A467-A470 PolarHBondContact O-N 3.42Å; A470-E473 PolarHBondContact O-N 3.17Å; A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 3.43Å; A470-A474 PolarHBondContact O-N 2.8Å
471A93.6Very high91.9Very high43 Ų43106 Ų10636%0.35552%0.522SS..Hα-helixtrans-61.3-53.417300000111.4A467 R469 E473 A474 E475A467-A471 WeakPolarHBondContact O-CB 3.47Å; A467-A471 PolarHBondContact O-N 3.15Å; R469-A471 VanDerWaalsContact C-N 3.35Å; R469-A471 PolarHBondContact O-N 3.14Å; A471-E473 PolarHBondContact O-N 3.3Å; A471-A474 PolarHBondContact O-N 3.49Å; A471-E475 WeakPolarHBondContact O-CB 3.45Å; A471-E475 WeakPolarHBondContact O-CG 3.46Å; A471-E475 PolarHBondContact O-N 3.04Å
472N92.8Very high92Very high94 Ų94105 Ų10550%0.50353%0.526SS..Hα-helixtrans-60.6-26.8176.8-69.832.7000113.4R468 R469 R476R468-N472 WeakPolarHBondContact O-CB 3.24Å; R468-N472 PolarHBondContact O-N 3.28Å; R468-N472 PolarHBondContact O-OD1 3.3Å; R469-N472 PolarHBondContact O-N 2.94Å; N472-R476 VanDerWaalsContact O-CB 3.29Å; N472-R476 WeakPolarHBondContact O-CB 3.31Å; N472-R476 PolarHBondContact O-N 2.97Å
473E91.5Very high91.9Very high125 Ų12599.4 Ų99.458%0.58451%0.514SS*.Hα-helixtrans-78.9-45.5175.9-169150.8-137.200110.9R469 A470 A471 R476 E477R469-E473 VanDerWaalsContact O-CB 3.31Å; R469-E473 WeakPolarHBondContact O-CB 3.43Å; R469-E473 PolarHBondContact O-N 3Å; A470-E473 PolarHBondContact O-N 3.17Å; A471-E473 PolarHBondContact O-N 3.3Å; E473-R476 CarbonylContact O-C 3.57Å; E473-R476 WeakPolarHBondContact O-CB 3.46Å; E473-R476 PolarHBondContact O-N 3.21Å; E473-R476 VanDerWaalsContact O-N 3.16Å; E473-E477 WeakPolarHBondContact O-CG 3.37Å; E473-E477 PolarHBondContact O-N 3.2Å
474A93Very high91.6Very high56 Ų56100.2 Ų100.246%0.46351%0.509SS..Hα-helixtrans-63.1-41173.900000112.8A470 A471 R476 E477 A478A470-A474 VanDerWaalsContact O-CB 3.3Å; A470-A474 WeakPolarHBondContact O-CB 3.43Å; A470-A474 PolarHBondContact O-N 2.8Å; A471-A474 PolarHBondContact O-N 3.49Å; A474-R476 VanDerWaalsContact C-N 3.31Å; A474-R476 PolarHBondContact O-N 2.97Å; A474-E477 PolarHBondContact O-N 3.35Å; A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.32Å; A474-A478 PolarHBondContact O-N 3.06Å
475E91.9Very high91.4Very high128 Ų128100.4 Ų100.460%0.59851%0.51SS*.Hα-helixtrans-58.7-43.2171.4-75.5169.9-166.200111.3A471 H479A471-E475 WeakPolarHBondContact O-CB 3.45Å; A471-E475 WeakPolarHBondContact O-CG 3.46Å; A471-E475 PolarHBondContact O-N 3.04Å; E475-H479 VanDerWaalsContact O-CB 3.29Å; E475-H479 WeakPolarHBondContact O-CB 3.27Å; E475-H479 PolarHBondContact O-N 3.31Å
476R92.5Very high91.4Very high199 Ų19996.7 Ų96.775%0.75150%0.503SS*.Hα-helixtrans-68.2-36.7177.8-177.7-177.8-176.8124.46.1112N472 E473 A474 R480N472-R476 VanDerWaalsContact O-CB 3.29Å; N472-R476 WeakPolarHBondContact O-CB 3.31Å; N472-R476 PolarHBondContact O-N 2.97Å; E473-R476 CarbonylContact O-C 3.57Å; E473-R476 WeakPolarHBondContact O-CB 3.46Å; E473-R476 PolarHBondContact O-N 3.21Å; E473-R476 VanDerWaalsContact O-N 3.16Å; A474-R476 VanDerWaalsContact C-N 3.31Å; A474-R476 PolarHBondContact O-N 2.97Å; R476-R480 WeakPolarHBondContact O-CB 3.46Å; R476-R480 PolarHBondContact O-N 3.39Å
477E91Very high91.1Very high119 Ų11995.1 Ų95.156%0.55650%0.496SS*.Hα-helixtrans-74.1-39.7176.4-71.5-165.2147.200112.2E473 A474 R480 A481E473-E477 WeakPolarHBondContact O-CG 3.37Å; E473-E477 PolarHBondContact O-N 3.2Å; A474-E477 PolarHBondContact O-N 3.35Å; E477-R480 CarbonylContact O-C 3.58Å; E477-R480 WeakPolarHBondContact O-CB 3.5Å; E477-R480 PolarHBondContact O-N 3.04Å; E477-A481 WeakPolarHBondContact O-CB 3.49Å; E477-A481 PolarHBondContact O-N 2.99Å
478A94Very high90.8Very high50 Ų5099.3 Ų99.341%0.41350%0.503SS..Hα-helixtrans-60.9-49.1171.300000111.2A474 R480 A481 I482A474-A478 VanDerWaalsContact O-CB 3.28Å; A474-A478 WeakPolarHBondContact O-CB 3.32Å; A474-A478 PolarHBondContact O-N 3.06Å; A478-R480 VanDerWaalsContact C-N 3.28Å; A478-R480 PolarHBondContact O-N 2.99Å; A478-A481 PolarHBondContact O-N 3.34Å; A478-I482 VanDerWaalsContact O-CG1 3.27Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å; A478-I482 PolarHBondContact O-N 2.9Å
479H92.9Very high90.4Very high126 Ų126103.3 Ų103.358%0.58352%0.518SS*.Hα-helixtrans-59.6-38.8173.8-173.9-51.9000111.7E475 C483E475-H479 VanDerWaalsContact O-CB 3.29Å; E475-H479 WeakPolarHBondContact O-CB 3.27Å; E475-H479 PolarHBondContact O-N 3.31Å; H479-C483 PolarHBondContact CE1-SG 3.14Å; H479-C483 PolarHBondContact ND1-SG 2.81Å; H479-C483 VanDerWaalsContact ND1-SG 3.36Å; H479-C483 WeakPolarHBondContact O-CB 3.38Å; H479-C483 PolarHBondContact O-N 2.91Å; H479-C483 PolarHBondContact O-SG 2.96Å
480R92.1Very high89.9Confident166 Ų16699.5 Ų99.563%0.62652%0.517SS*.Hα-helixtrans-66.6-40175.9-175.3-177.5-177.1-164.9-0.9112R476 E477 A478 C483 L484R476-R480 WeakPolarHBondContact O-CB 3.46Å; R476-R480 PolarHBondContact O-N 3.39Å; E477-R480 CarbonylContact O-C 3.58Å; E477-R480 WeakPolarHBondContact O-CB 3.5Å; E477-R480 PolarHBondContact O-N 3.04Å; A478-R480 VanDerWaalsContact C-N 3.28Å; A478-R480 PolarHBondContact O-N 2.99Å; R480-C483 PolarHBondContact O-N 3.38Å; R480-L484 HydrophobicContact CG-CD1 4.17Å; R480-L484 WeakPolarHBondContact O-CB 3.26Å; R480-L484 VanDerWaalsContact O-CG 3.29Å; R480-L484 WeakPolarHBondContact O-CG 3.4Å; R480-L484 PolarHBondContact O-N 3.18Å
481A91.5Very high88.8Confident54 Ų54100 Ų10045%0.44653%0.527SS..Hα-helixtrans-64.8-47.2176.500000111E477 A478 C483 L484 E485E477-A481 WeakPolarHBondContact O-CB 3.49Å; E477-A481 PolarHBondContact O-N 2.99Å; A478-A481 PolarHBondContact O-N 3.34Å; A481-C483 VanDerWaalsContact C-N 3.34Å; A481-C483 PolarHBondContact O-N 3.12Å; A481-L484 PolarHBondContact O-N 3Å; A481-L484 VanDerWaalsContact O-N 3.15Å; A481-E485 WeakPolarHBondContact O-CB 3.35Å; A481-E485 PolarHBondContact O-N 3.02Å
482I90.8Very high87.6Confident118 Ų118104.9 Ų104.961%0.60554%0.543SS*.Hα-helixtrans-59-43.7175.4-66.5163.1000110.9A478 E485 G486A478-I482 VanDerWaalsContact O-CG1 3.27Å; A478-I482 WeakPolarHBondContact O-CG1 3.41Å; A478-I482 PolarHBondContact O-N 2.9Å; I482-E485 PolarHBondContact O-N 2.83Å; I482-G486 PolarHBondContact O-N 3.45Å
483C88.6Confident86Confident59 Ų59103.1 Ų103.140%0.39953%0.533SS..Hα-helixtrans-62.7-43.8173.9-71.90000112.8H479 R480 A481 G486 M487H479-C483 PolarHBondContact CE1-SG 3.14Å; H479-C483 PolarHBondContact ND1-SG 2.81Å; H479-C483 VanDerWaalsContact ND1-SG 3.36Å; H479-C483 WeakPolarHBondContact O-CB 3.38Å; H479-C483 PolarHBondContact O-N 2.91Å; H479-C483 PolarHBondContact O-SG 2.96Å; R480-C483 PolarHBondContact O-N 3.38Å; A481-C483 VanDerWaalsContact C-N 3.34Å; A481-C483 PolarHBondContact O-N 3.12Å; C483-G486 PolarHBondContact O-N 3.19Å; C483-M487 WeakPolarHBondContact O-CG 3.26Å; C483-M487 PolarHBondContact O-N 3.33Å
484L85.7Confident84.4Confident75 Ų75103.1 Ų103.139%0.39354%0.544SS..Hα-helixtrans-65.7-38.6178.4-75.6169.5000111.9R480 A481 M487 K488 L493R480-L484 HydrophobicContact CG-CD1 4.17Å; R480-L484 WeakPolarHBondContact O-CB 3.26Å; R480-L484 VanDerWaalsContact O-CG 3.29Å; R480-L484 WeakPolarHBondContact O-CG 3.4Å; R480-L484 PolarHBondContact O-N 3.18Å; A481-L484 PolarHBondContact O-N 3Å; A481-L484 VanDerWaalsContact O-N 3.15Å; L484-M487 PolarHBondContact O-N 3.3Å; L484-K488 WeakPolarHBondContact O-CG 3.39Å; L484-K488 PolarHBondContact O-N 3.26Å; L484-L493 HydrophobicContact CD2-CD1 4.27Å
485E87.2Confident82.3Confident93 Ų93106.1 Ų106.144%0.43556%0.557SS.*Hα-helixtrans-67.8-42.5174.8-160.4-168151.100111.4A481 I482 M487 K488 R489A481-E485 WeakPolarHBondContact O-CB 3.35Å; A481-E485 PolarHBondContact O-N 3.02Å; I482-E485 PolarHBondContact O-N 2.83Å; E485-M487 VanDerWaalsContact C-N 3.32Å; E485-M487 PolarHBondContact O-N 2.64Å; E485-K488 WeakPolarHBondContact O-CB 2.96Å; E485-K488 PolarHBondContact O-N 3.17Å; E485-K488 VanDerWaalsContact O-N 3.14Å; E485-R489 WeakPolarHBondContact O-CG 3.33Å; E485-R489 PolarHBondContact O-N 3.36Å; E485-R489 IonicContact OE1-CZ 3.33Å; E485-R489 IonicContact OE1-NE 2.71Å; E485-R489 PolarHBondContact OE1-NE 3.24Å; E485-R489 IonicContact OE1-NH2 2.66Å; E485-R489 PolarHBondContact OE1-NH2 3.47Å
486G89.3Confident80.3Confident36 Ų36109.3 Ų109.337%0.37157%0.571SS.*Hα-helixtrans-56.9-43.3171.400000112.5I482 C483 K488 R489 A490I482-G486 PolarHBondContact O-N 3.45Å; C483-G486 PolarHBondContact O-N 3.19Å; G486-K488 PolarHBondContact O-N 2.75Å; G486-R489 PolarHBondContact O-N 3.22Å; G486-A490 VanDerWaalsContact O-CB 3.23Å; G486-A490 WeakPolarHBondContact O-CB 3.37Å; G486-A490 PolarHBondContact O-N 2.98Å
487M84.7Confident78Confident76 Ų76106.9 Ų106.937%0.37457%0.574SS.*Hα-helixtrans-66.5-33175.2-71.5179.873.200113.5C483 L484 E485 G491 Q492 L493C483-M487 WeakPolarHBondContact O-CG 3.26Å; C483-M487 PolarHBondContact O-N 3.33Å; L484-M487 PolarHBondContact O-N 3.3Å; E485-M487 VanDerWaalsContact C-N 3.32Å; E485-M487 PolarHBondContact O-N 2.64Å; M487-G491 PolarHBondContact O-N 3.26Å; M487-Q492 PolarHBondContact O-N 3.24Å; M487-L493 HydrophobicContact CB-CD1 3.67Å; M487-L493 HydrophobicContact CB-CG 3.94Å; M487-L493 HydrophobicContact CE-CD2 4.43Å; M487-L493 HydrophobicContact CE-CG 4.3Å; M487-L493 PolarHBondContact O-N 3.45Å
488K86.3Confident75.5Confident151 Ų151109.4 Ų109.466%0.65759%0.585SS**Hα-helixtrans-66.6-51.2171.2-73.8-177.6178.4-173.40110.9L484 E485 G486 A490 G491 L493L484-K488 WeakPolarHBondContact O-CG 3.39Å; L484-K488 PolarHBondContact O-N 3.26Å; E485-K488 WeakPolarHBondContact O-CB 2.96Å; E485-K488 PolarHBondContact O-N 3.17Å; E485-K488 VanDerWaalsContact O-N 3.14Å; G486-K488 PolarHBondContact O-N 2.75Å; K488-A490 PolarHBondContact O-N 3.21Å; K488-G491 PolarHBondContact O-N 2.87Å; K488-L493 HydrophobicContact CG-CD1 3.77Å
489R82.9Confident72.9Confident204 Ų204112.5 Ų112.577%0.7760%0.599SS**Hα-helixtrans-59.6-31.2178-68.7176.4-178.1-143.97.2112.3E485 G486E485-R489 WeakPolarHBondContact O-CG 3.33Å; E485-R489 PolarHBondContact O-N 3.36Å; E485-R489 IonicContact OE1-CZ 3.33Å; E485-R489 IonicContact OE1-NE 2.71Å; E485-R489 PolarHBondContact OE1-NE 3.24Å; E485-R489 IonicContact OE1-NH2 2.66Å; E485-R489 PolarHBondContact OE1-NH2 3.47Å; G486-R489 PolarHBondContact O-N 3.22Å
490A83Confident70.1Confident62 Ų62113.2 Ų113.251%0.51261%0.607SS.*THydrogen-bonded Turntrans-86.84.3177.100000114.9G486 K488 Q492G486-A490 VanDerWaalsContact O-CB 3.23Å; G486-A490 WeakPolarHBondContact O-CB 3.37Å; G486-A490 PolarHBondContact O-N 2.98Å; K488-A490 PolarHBondContact O-N 3.21Å; A490-Q492 HydrophobicContact CB-CG 4.42Å; A490-Q492 PolarHBondContact O-N 3.13Å
491G69.6Low67.2Low66 Ų66111.9 Ų111.968%0.6862%0.618SS**THydrogen-bonded Turntrans66.114.6178.600000115.5M487 K488M487-G491 PolarHBondContact O-N 3.26Å; K488-G491 PolarHBondContact O-N 2.87Å
492Q67.6Low64.9Low146 Ų146116.2 Ų116.268%0.68263%0.633SS**  trans-92.2-6.4-176.8-65.8-174.38.500113.7M487 A490M487-Q492 PolarHBondContact O-N 3.24Å; A490-Q492 HydrophobicContact CB-CG 4.42Å; A490-Q492 PolarHBondContact O-N 3.13Å
493L60.4Low62.5Low57 Ų57118.6 Ų118.630%0.29864%0.642SS.*SBendtrans-101.1132165.7-77.8164.2000108.3L484 M487 K488 T495L484-L493 HydrophobicContact CD2-CD1 4.27Å; M487-L493 HydrophobicContact CB-CD1 3.67Å; M487-L493 HydrophobicContact CB-CG 3.94Å; M487-L493 HydrophobicContact CE-CD2 4.43Å; M487-L493 HydrophobicContact CE-CG 4.3Å; M487-L493 PolarHBondContact O-N 3.45Å; K488-L493 HydrophobicContact CG-CD1 3.77Å; L493-T495 PolarHBondContact O-N 2.91Å
494P58.2Low60.3Low124 Ų124124.7 Ų124.781%0.80566%0.661SS**  trans-64.3109.3174.726.7-32.9000109.2
495T49.4Very low58Low120 Ų120128.8 Ų128.874%0.73668%0.683SS**PPolyproline II helixtrans-57.5141.1157.334.50000108.5L493 D497L493-T495 PolarHBondContact O-N 2.91Å; T495-D497 PolarHBondContact O-N 3.03Å
496Q48.5Very low55.9Low194 Ų194132 Ų13291%0.90770%0.702SS**PPolyproline II helixtrans-76.9119.7173.9-62.8178.3-78.200107.5E498Q496-E498 PolarHBondContact O-N 3.15Å
497D43.8Very low53.3Low149 Ų149136.8 Ų136.880%0.79772%0.719SS**PPolyproline II helixtrans-65.1119.5172.8-57-58.2000109.4T495T495-D497 PolarHBondContact O-N 3.03Å
498E38.5Very low51Low171 Ų171139.8 Ų139.880%0.79974%0.741SS**  trans36.3167.8131.3-68-65.8128.700121.9Q496Q496-E498 PolarHBondContact O-N 3.15Å
499V39.6Very low48.8Very low116 Ų116141.4 Ų141.470%0.70375%0.748SS**  trans71.775.2167.1-163.50000115.8
500N34Very low46.7Very low141 Ų141141 Ų14175%0.75476%0.757SS**  -172.9129.491.7-101.1-27.9000113
501T31.9Very low44.7Very low138 Ų138142.9 Ų142.985%0.84776%0.763SS**  trans-97.4112168-57.90000108.2
502D43.9Very low42.9Very low145 Ų145148.7 Ų148.778%0.77577%0.769SS**  trans-142.1126.2170.4-115.4-40.6000109.7
503E40.5Very low41.3Very low167 Ų167149.9 Ų149.978%0.7877%0.772SS**  trans-79.6137.5-176.8-55.5-177.5132.900111.8
504K41.7Very low40.1Very low187 Ų187155 Ų15581%0.81379%0.794SS**  trans-172.395.6130.6-98.2139.5-155.5133.10114.2I506K504-I506 PolarHBondContact O-N 2.99Å; K504-I506 VanDerWaalsContact O-N 3.16Å
505L36.8Very low39.3Very low162 Ų162157 Ų15785%0.84880%0.798SS**  trans5.492.1132.8-169.482.2000116.6
506I43.2Very low38.6Very low161 Ų161158 Ų15883%0.82680%0.798SS**  trans-130116.9154.8-60.4-175.7000109.8K504K504-I506 PolarHBondContact O-N 2.99Å; K504-I506 VanDerWaalsContact O-N 3.16Å
507N34.1Very low38.1Very low136 Ų136157.1 Ų157.173%0.72779%0.794SS**  trans-56.2141.5179.2-54.6-65.3000113.4
508T37.5Very low37.8Very low138 Ų138158 Ų15885%0.84779%0.791SS**  trans-157.4136.7133.1-78.80000110.9M510T508-M510 PolarHBondContact O-N 3.32Å
509K39.4Very low37.5Very low185 Ų185156.2 Ų156.280%0.80479%0.792SS**  trans-58.6125.3-179.7-59.5162.9-178.8175.30111.3V511K509-V511 VanDerWaalsContact C-N 3.34Å; K509-V511 HydrophobicContact CB-CG2 4.29Å; K509-V511 PolarHBondContact O-N 2.64Å
510M38.8Very low37.4Very low195 Ų195159.7 Ų159.796%0.96180%0.801SS**  trans-72.191.9159.6-83.3-170.269.700109.3T508 K512T508-M510 PolarHBondContact O-N 3.32Å; M510-K512 PolarHBondContact O-N 3.2Å
511V40.9Very low37.6Very low103 Ų103162.3 Ų162.362%0.62481%0.805SS**  trans-72.3124.5170.21770000108.7K509 F513K509-V511 VanDerWaalsContact C-N 3.34Å; K509-V511 HydrophobicContact CB-CG2 4.29Å; K509-V511 PolarHBondContact O-N 2.64Å; V511-F513 HydrophobicContact CG1-CD2 4.36Å; V511-F513 PolarHBondContact O-N 3.42Å
512K32.7Very low37.7Very low187 Ų187164.2 Ų164.281%0.81380%0.802SS**  trans-55107.5167.8177.5-168.3176.8-166.50108.9M510M510-K512 PolarHBondContact O-N 3.2Å
513F33.7Very low37.4Very low172 Ų172166.5 Ų166.575%0.75481%0.807SS**  trans-114.7109.1-176.5-140.4-86.7000110.8V511V511-F513 HydrophobicContact CG1-CD2 4.36Å; V511-F513 PolarHBondContact O-N 3.42Å
514E36Very low37.1Very low163 Ų163167.1 Ų167.176%0.76281%0.808SS**  trans-66.8130.2165.9-79.8162.6107.600109.2D516E514-D516 PolarHBondContact O-N 2.76Å
515L39.6Very low36.9Very low167 Ų167167.5 Ų167.587%0.87481%0.809SS**  trans-104.880.2-170.1-128.6169.8000110.6
516D35.8Very low36.9Very low140 Ų140166.4 Ų166.475%0.74980%0.798SS**  trans-61.3138.8178.6-127.7-16000112.2E514 K518E514-D516 PolarHBondContact O-N 2.76Å; D516-K518 PolarHBondContact O-N 2.68Å; D516-K518 VanDerWaalsContact O-N 3.09Å
517E37.8Very low36.6Very low176 Ų176165 Ų16582%0.82279%0.791SS**  trans-68.6106.1175.1-80.2-162.1113.900111.7
518K37.2Very low36.9Very low168 Ų168165.2 Ų165.273%0.7379%0.788SS**  trans-153.9124.2145.2-93.1113.5-147.8152.80114.8D516D516-K518 PolarHBondContact O-N 2.68Å; D516-K518 VanDerWaalsContact O-N 3.09Å
519T32.4Very low37Very low134 Ų134164.7 Ų164.782%0.82278%0.784SS**  trans56100.4145.560.30000119.9
520E38.5Very low36.8Very low188 Ų188161.7 Ų161.788%0.87978%0.777SS**  trans-114.8136.3145.8-87.8-125.5116.200111.4
521K37.8Very low36.7Very low196 Ų196161.1 Ų161.185%0.85277%0.769SS**  trans-138.1107.3169.4-97.1-178.9-179.5166.30110.4
522K34Very low36.5Very low179 Ų179165.3 Ų165.378%0.77878%0.779SS**  trans73123.7167.5-45.3162.9179.6178.60114.4
523H36.7Very low36.9Very low192 Ų192161.2 Ų161.289%0.88977%0.774SS**  -142.2166.7108-120-94.8000111.3
524K34.3Very low37.1Very low181 Ų181161.9 Ų161.979%0.78778%0.776SS**  trans-157.6151.5-169.5-170.2172-173.8170.20110.6
525K37.8Very low37.3Very low194 Ų194162.8 Ų162.884%0.84378%0.778SS**  trans84.3154.9-175.3-47159.2-179.3165.70112.1
526K35.9Very low37.2Very low140 Ų140160.1 Ų160.161%0.60977%0.773SS**  cis-162.7172.93.2-142.8-176.2159.4-72.60111.1E528K526-E528 IonicContact NZ-OE1 3.38Å; K526-E528 PolarHBondContact NZ-OE1 3.05Å; K526-E528 IonicContact NZ-OE2 2.78Å; K526-E528 PolarHBondContact NZ-OE2 2.82Å
527L38.6Very low37.7Very low131 Ų131159.3 Ų159.369%0.68678%0.776SS**  trans72.8158.8160.9-58.8140.7000115.2
528E39.9Very low37.9Very low141 Ų141156.8 Ų156.866%0.65977%0.772SS**  -154.7-166.9-73.5-95.5134.6-112.500102.6K526K526-E528 IonicContact NZ-OE1 3.38Å; K526-E528 PolarHBondContact NZ-OE1 3.05Å; K526-E528 IonicContact NZ-OE2 2.78Å; K526-E528 PolarHBondContact NZ-OE2 2.82Å
529V38.6Very low38.2Very low127 Ų127157.7 Ų157.777%0.7778%0.776SS**  cis-164.1131.718.673.50000110.7
530N35.2Very low38.4Very low122 Ų122161.6 Ų161.665%0.65278%0.781SS**  trans47.8113.9140.3-164.818.7000123.7
531K38.1Very low38.8Very low182 Ų182156.4 Ų156.479%0.79177%0.771SS**  172.9124.9112.8-92.9166.2-173174.60116
532K37Very low38.9Very low191 Ų191156.3 Ų156.383%0.8377%0.771SS**  trans20.3134.6139.2-56.4177.6-177.2-177.60118.7
533S39.9Very low39.2Very low102 Ų102157.7 Ų157.771%0.71378%0.777SS**  cis-159-142.316.244.90000110.5
534K39.1Very low39.5Very low185 Ų185152.7 Ų152.780%0.80476%0.763SS**  cis-164.2165.48.7-138167-169.91750110.4
535K38.3Very low40Very low182 Ų182152.1 Ų152.179%0.79177%0.769SS**  trans44.892.9160.3-72.5-172.1176.7-174.50122.4
536S39.5Very low40.2Very low112 Ų112150.1 Ų150.178%0.78377%0.767SS**  60.4157.2114.256.90000123.7
537P45.3Very low41Very low123 Ų123151 Ų15180%0.79978%0.776SS**  trans-113.4173.7-157.642.9-34.5000115.9
538V41.1Very low41.7Very low123 Ų123149.8 Ų149.875%0.74577%0.774SS**  trans-159.8144155.6117.50000115.5
539K43.9Very low41.9Very low186 Ų186154.7 Ų154.781%0.80979%0.787SS**  trans37.5121157.4-60.2162-169.3175.70121.5
540K37.7Very low42.6Very low216 Ų216158.2 Ų158.294%0.93979%0.791SS**  trans-78.1147.6141.2-67.8178179.1176.30109
541A45.3Very low42.8Very low79 Ų79161.9 Ų161.965%0.65380%0.802SS**  trans-148.1166.4174.300000112.4
542F40.9Very low43.5Very low194 Ų194163 Ų16385%0.85181%0.806SS**  trans60113.9172.1-70.1-78.6000119.4
543K40Very low44Very low209 Ų209166.9 Ų166.991%0.90982%0.824SS**  trans-15276165.2-170.3-168.7-179.7-171.40109.4
544S42.7Very low44.2Very low86 Ų86170.2 Ų170.260%0.60183%0.829SS**  trans-160.291.6-176.853.50000112.4
545N45.5Very low44.5Very low169 Ų169169.4 Ų169.490%0.90483%0.83SS**  trans-101.1103.5161.3-81.311.6000108.3
546L42.3Very low44.9Very low153 Ų153168.7 Ų168.780%0.80183%0.833SS**  trans-89112177.2-179.967.9000109.1V548L546-V548 HydrophobicContact CD2-CG2 4.41Å; L546-V548 HydrophobicContact CG-CG2 4.37Å; L546-V548 PolarHBondContact O-N 2.82Å
547I53.2Low45.2Very low157 Ų157172 Ų17281%0.80584%0.835SS**  trans-80.8104.7176.4-62.5178.1000108.9R549I547-R549 PolarHBondContact O-N 3.35Å
548V51.6Low45.2Very low107 Ų107175.1 Ų175.165%0.64884%0.838SS**  trans-81.8109.6178.9177.90000110.3L546 K550L546-V548 HydrophobicContact CD2-CG2 4.41Å; L546-V548 HydrophobicContact CG-CG2 4.37Å; L546-V548 PolarHBondContact O-N 2.82Å; V548-K550 HydrophobicContact CG1-CG 4.34Å; V548-K550 PolarHBondContact O-N 3.36Å
549R44Very low45.4Very low243 Ų243178.5 Ų178.592%0.91784%0.844SS**  trans-77.2105.1160.1-83.5-178.7164.9174.2-6.2108.9I547I547-R549 PolarHBondContact O-N 3.35Å
550K53.5Low45.5Very low201 Ų201178 Ų17887%0.87485%0.846SS**  trans-77.8136.8164.8-94.4-176.8174.3177.50109.8V548V548-K550 HydrophobicContact CG1-CG 4.34Å; V548-K550 PolarHBondContact O-N 3.36Å
551K39.3Very low46.1Very low199 Ų199175.1 Ų175.187%0.86584%0.839SS**  trans-118.9121.5168.7-158.6-173.9-174.8-167.30107.6
552K54.1Low46.2Very low205 Ų205183.1 Ų183.189%0.89186%0.855SS**  trans172141.7171.2-103.8177.6-178-172.60106.7
553K47.7Very low46.7Very low274 Ų274182.1 Ų182.1100%1.19186%0.855SS**  cis-71.90-11-71.6177.8176178.20111.5

Retrieved 553 of 553 residues in 225.7 ms (Link to these results)

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