A0A087X2J6_HUMAN Loading...

Synaptosomal-associated protein 47

AlphaFold DB , UniProt , Accession A0A087X2J6, Species HUMAN (Homo sapiens, Human), Gene SNAP47, Length 395 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M31.5Very low74.6Confident233 Ų23382.7 Ų82.7100%1.14843%0.432SS*.  092.30-66.5-7012500107.1R3M1-R3 PolarHBondContact O-N 3.45Å
2S39.5Very low76.2Confident110 Ų11076.2 Ų76.277%0.76940%0.398SS*.  trans-61.3121.7177.6-1760000107.8D4S2-D4 VanDerWaalsContact C-N 3.32Å; S2-D4 PolarHBondContact O-N 2.72Å
3R50.7Low77.5Confident235 Ų23571.9 Ų71.989%0.88738%0.377SS*.  trans-71.695.2172.5-73.3-178.3171.5-171.6-2.5106.6M1 V5M1-R3 PolarHBondContact O-N 3.45Å; R3-V5 PolarHBondContact O-N 2.81Å; R3-V5 VanDerWaalsContact O-N 3.09Å
4D68.3Low78.7Confident66 Ų6668.1 Ų68.135%0.35336%0.355SS..  trans-59.1114.6171.5-88.70.7000108.7S2 C6 T30S2-D4 VanDerWaalsContact C-N 3.32Å; S2-D4 PolarHBondContact O-N 2.72Å; D4-C6 PolarHBondContact O-N 3.49Å; D4-T30 HydrophobicContact CB-CG2 4.13Å
5V81.1Confident79.6Confident41 Ų4167 Ų6725%0.24835%0.345CS..  trans-67.4127.3-179.7179.80000108.6R3 I7 L311R3-V5 PolarHBondContact O-N 2.81Å; R3-V5 VanDerWaalsContact O-N 3.09Å; V5-I7 PolarHBondContact O-N 3.39Å; V5-L311 HydrophobicContact CB-CD1 4.39Å; V5-L311 HydrophobicContact CG1-CD1 3.55Å; V5-L311 HydrophobicContact CG2-CD1 3.88Å; V5-L311 HydrophobicContact CG2-CD2 3.63Å; V5-L311 HydrophobicContact CG2-CG 4.37Å
6C87.1Confident80.2Confident60 Ų6064.7 Ų64.741%0.40533%0.334SS..EExtended strand (participates in β ladder)trans-67.9123.7171.6-170.20000108.9D4 T9D4-C6 PolarHBondContact O-N 3.49Å; C6-T9 PolarHBondContact SG-OG1 2.9Å
7I89.4Confident80.5Confident17 Ų1767.1 Ų67.19%0.08734%0.343CS..EExtended strand (participates in β ladder)trans-84.5-48.2178.7-60.4168.6000109.3V5 L29 T30 S31 F97 Y264V5-I7 PolarHBondContact O-N 3.39Å; I7-L29 HydrophobicContact CB-CG 4.5Å; I7-L29 WeakPolarHBondContact CB-O 3.36Å; I7-L29 HydrophobicContact CD1-CG 4.29Å; I7-L29 PolarHBondContact N-O 2.85Å; I7-T30 VanDerWaalsContact CD1-C 3.43Å; I7-S31 VanDerWaalsContact CD1-N 3.33Å; I7-F97 HydrophobicContact CD1-CD1 3.66Å; I7-F97 HydrophobicContact CD1-CE1 3.28Å; I7-F97 HydrophobicContact CD1-CE2 4.36Å; I7-F97 HydrophobicContact CD1-CG 4.36Å; I7-F97 HydrophobicContact CD1-CZ 3.69Å; I7-F97 HydrophobicContact CG1-CE1 4.43Å; I7-F97 HydrophobicContact CG2-CE1 4.49Å; I7-F97 HydrophobicContact CG2-CE2 4.07Å; I7-F97 HydrophobicContact CG2-CZ 3.78Å; I7-Y264 HydrophobicContact CB-CD2 4.43Å; I7-Y264 HydrophobicContact CD1-CD2 4.19Å; I7-Y264 HydrophobicContact CD1-CE2 4.27Å; I7-Y264 HydrophobicContact CD1-CG 4.36Å; I7-Y264 HydrophobicContact CG1-CD2 3.58Å; I7-Y264 HydrophobicContact CG1-CE2 3.79Å; I7-Y264 HydrophobicContact CG1-CG 4.13Å; I7-Y264 HydrophobicContact CG2-CD2 4.38Å; I7-Y264 HydrophobicContact CG2-CG 4.42Å
8H90.7Very high80.6Confident44 Ų4469.9 Ų69.920%0.20437%0.366CS..EExtended strand (participates in β ladder)trans-154.4144.3-177.5-152.5-37000110.3W10 S28 L29H8-W10 HydrophobicContact CB-CH2 3.85Å; H8-W10 HydrophobicContact CB-CZ2 3.49Å; H8-W10 VanDerWaalsContact CB-CZ2 3.49Å; H8-W10 HydrophobicContact CB-CZ3 4.48Å; H8-W10 AromaticContact CD2-CE2 3.67Å; H8-W10 AromaticContact CD2-CZ2 3.58Å; H8-W10 AromaticContact CD2-NE1 3.42Å; H8-W10 PolarHBondContact CD2-NE1 3.24Å; H8-W10 AromaticContact CE1-CD1 3.54Å; H8-W10 AromaticContact CE1-CE2 3.93Å; H8-W10 AromaticContact CE1-NE1 3.12Å; H8-W10 PolarHBondContact CE1-NE1 3.44Å; H8-W10 AromaticContact CG-CE2 3.42Å; H8-W10 VanDerWaalsContact CG-CE2 3.42Å; H8-W10 AromaticContact CG-CZ2 3.44Å; H8-W10 VanDerWaalsContact CG-CZ2 3.44Å; H8-W10 AromaticContact CG-NE1 3.42Å; H8-W10 AromaticContact ND1-CD1 3.65Å; H8-W10 AromaticContact ND1-CE2 3.58Å; H8-W10 AromaticContact ND1-NE1 3.22Å; H8-W10 PolarHBondContact ND1-NE1 2.99Å; H8-W10 AromaticContact NE2-CE2 3.94Å; H8-W10 AromaticContact NE2-NE1 3.19Å; H8-W10 PolarHBondContact NE2-NE1 3.48Å; H8-W10 VanDerWaalsContact NE2-NE1 3.19Å; H8-S28 WeakPolarHBondContact O-CA 3.36Å; H8-L29 PolarHBondContact N-O 3.1Å; H8-L29 PolarHBondContact O-N 3.34Å
9T92.9Very high80.9Confident67 Ų6773.2 Ų73.241%0.41138%0.378SS..EExtended strand (participates in β ladder)trans-118.4135.3170-55.40000109.6C6 Q26 L27C6-T9 PolarHBondContact SG-OG1 2.9Å; T9-Q26 HydrophobicContact CG2-CB 3.66Å; T9-Q26 HydrophobicContact CG2-CG 4.2Å; T9-L27 CarbonylContact C-O 3.56Å; T9-L27 WeakPolarHBondContact CA-O 3.4Å
10W94.6Very high81.3Confident1 Ų179.4 Ų79.40%0.00440%0.396CS..EExtended strand (participates in β ladder)trans-126.9131177.4-57.1-72000111.4H8 C12 Q26 L27 L29 R84 V90 I93 I94H8-W10 HydrophobicContact CB-CH2 3.85Å; H8-W10 HydrophobicContact CB-CZ2 3.49Å; H8-W10 VanDerWaalsContact CB-CZ2 3.49Å; H8-W10 HydrophobicContact CB-CZ3 4.48Å; H8-W10 AromaticContact CD2-CE2 3.67Å; H8-W10 AromaticContact CD2-CZ2 3.58Å; H8-W10 AromaticContact CD2-NE1 3.42Å; H8-W10 PolarHBondContact CD2-NE1 3.24Å; H8-W10 AromaticContact CE1-CD1 3.54Å; H8-W10 AromaticContact CE1-CE2 3.93Å; H8-W10 AromaticContact CE1-NE1 3.12Å; H8-W10 PolarHBondContact CE1-NE1 3.44Å; H8-W10 AromaticContact CG-CE2 3.42Å; H8-W10 VanDerWaalsContact CG-CE2 3.42Å; H8-W10 AromaticContact CG-CZ2 3.44Å; H8-W10 VanDerWaalsContact CG-CZ2 3.44Å; H8-W10 AromaticContact CG-NE1 3.42Å; H8-W10 AromaticContact ND1-CD1 3.65Å; H8-W10 AromaticContact ND1-CE2 3.58Å; H8-W10 AromaticContact ND1-NE1 3.22Å; H8-W10 PolarHBondContact ND1-NE1 2.99Å; H8-W10 AromaticContact NE2-CE2 3.94Å; H8-W10 AromaticContact NE2-NE1 3.19Å; H8-W10 PolarHBondContact NE2-NE1 3.48Å; H8-W10 VanDerWaalsContact NE2-NE1 3.19Å; W10-C12 PolarHBondContact O-N 3.27Å; W10-Q26 WeakPolarHBondContact O-CA 3.47Å; W10-L27 HydrophobicContact CE3-CD2 4.3Å; W10-L27 HydrophobicContact CE3-CG 4.27Å; W10-L27 PolarHBondContact N-O 3.46Å; W10-L27 PolarHBondContact O-N 2.84Å; W10-L29 HydrophobicContact CH2-CB 3.85Å; W10-L29 HydrophobicContact CH2-CD2 3.8Å; W10-L29 HydrophobicContact CH2-CG 4.48Å; W10-L29 HydrophobicContact CZ3-CB 3.68Å; W10-L29 HydrophobicContact CZ3-CD2 4.39Å; W10-R84 VanDerWaalsContact CD1-O 3.25Å; W10-V90 HydrophobicContact CB-CG2 4.16Å; W10-V90 HydrophobicContact CD2-CB 4.34Å; W10-V90 HydrophobicContact CD2-CG1 3.74Å; W10-V90 HydrophobicContact CD2-CG2 3.86Å; W10-V90 HydrophobicContact CE3-CG1 3.63Å; W10-V90 HydrophobicContact CG-CG1 4.27Å; W10-V90 HydrophobicContact CG-CG2 3.62Å; W10-V90 HydrophobicContact CH2-CG1 4.33Å; W10-V90 HydrophobicContact CZ2-CG1 4.44Å; W10-V90 HydrophobicContact CZ3-CG1 3.93Å; W10-I93 HydrophobicContact CH2-CB 4.21Å; W10-I93 HydrophobicContact CH2-CG2 3.86Å; W10-I93 HydrophobicContact CZ2-CB 3.97Å; W10-I93 HydrophobicContact CZ2-CD1 3.85Å; W10-I93 HydrophobicContact CZ2-CG2 3.8Å; W10-I94 HydrophobicContact CH2-CG1 3.94Å; W10-I94 HydrophobicContact CZ3-CD1 4.02Å; W10-I94 HydrophobicContact CZ3-CG1 3.83Å
11P94.4Very high81.7Confident36 Ų3681.5 Ų81.523%0.23440%0.399CS..EExtended strand (participates in β ladder)trans-70.7130.6170.922-21.7000109.5Q26 R84P11-Q26 VanDerWaalsContact N-OE1 3.12Å; P11-R84 HydrophobicContact CG-CB 4.06Å; P11-R84 PolarHBondContact O-N 3.4Å
12C94Very high84.6Confident4 Ų475.7 Ų75.73%0.02737%0.365CS..EExtended strand (participates in β ladder)trans-157.7-179.7179.569.30000111.6W10 G25 L27 F36 S81 L83W10-C12 PolarHBondContact O-N 3.27Å; C12-G25 PolarHBondContact N-O 3.46Å; C12-G25 PolarHBondContact O-N 3.47Å; C12-L27 VanDerWaalsContact SG-CB 3.54Å; C12-F36 VanDerWaalsContact SG-CE2 3.57Å; C12-S81 WeakPolarHBondContact CB-O 3.48Å; C12-L83 HydrophobicContact CB-CD2 3.53Å; C12-L83 HydrophobicContact CB-CG 3.92Å
13T93.4Very high87.1Confident21 Ų2171.1 Ų71.113%0.12933%0.332CS..EExtended strand (participates in β ladder)trans-116142.3170.756.50000110.5V23 T24 F80 S81T13-V23 CarbonylContact C-O 3.5Å; T13-V23 WeakPolarHBondContact CA-O 3.39Å; T13-T24 HydrophobicContact CG2-CG2 4.48Å; T13-F80 CarbonylContact O-C 3.47Å; T13-F80 VanDerWaalsContact O-CA 3.31Å; T13-F80 WeakPolarHBondContact O-CA 3.49Å; T13-S81 PolarHBondContact N-O 2.93Å; T13-S81 PolarHBondContact O-N 3.24Å; T13-S81 PolarHBondContact OG1-O 2.89Å
14Y93.8Very high89.2Confident18 Ų1864 Ų647%0.07131%0.314CS..EExtended strand (participates in β ladder)trans-112.1135176.7176.3-109.3000110.6L16 W22 V23 F36 V46 H78 W79 F80Y14-L16 HydrophobicContact CE1-CD1 4.23Å; Y14-L16 PolarHBondContact O-N 2.66Å; Y14-W22 WeakPolarHBondContact O-CA 3.4Å; Y14-V23 PolarHBondContact N-O 2.81Å; Y14-V23 PolarHBondContact O-N 2.78Å; Y14-F36 VanDerWaalsContact CB-CE1 3.46Å; Y14-F36 VanDerWaalsContact CB-CZ 3.45Å; Y14-F36 HydrophobicContact CD1-CD1 4.37Å; Y14-F36 HydrophobicContact CG-CD1 4.14Å; Y14-F36 HydrophobicContact CG-CE1 4.29Å; Y14-F36 HydrophobicContact CG-CG 4.39Å; Y14-V46 HydrophobicContact CD1-CG2 4.2Å; Y14-V46 HydrophobicContact CE1-CG2 3.49Å; Y14-V46 VanDerWaalsContact CE1-CG2 3.49Å; Y14-V46 HydrophobicContact CE2-CG2 3.89Å; Y14-V46 WeakPolarHBondContact OH-CG2 3.34Å; Y14-H78 HydrophobicContact CE2-CB 3.97Å; Y14-H78 AromaticContact CE2-ND1 3.85Å; Y14-H78 AromaticContact CZ-ND1 3.84Å; Y14-H78 PolarHBondContact OH-ND1 3.02Å; Y14-W79 WeakPolarHBondContact CA-O 3.13Å; Y14-W79 WeakPolarHBondContact CD2-O 3.43Å; Y14-F80 AromaticContact CD2-CD1 3.88Å; Y14-F80 HydrophobicContact CD2-CD1 3.88Å; Y14-F80 AromaticContact CD2-CE1 3.45Å; Y14-F80 HydrophobicContact CD2-CE1 3.45Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.45Å; Y14-F80 AromaticContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CE2-CE1 4.17Å; Y14-F80 HydrophobicContact CE2-CZ 4.09Å; Y14-F80 HydrophobicContact CG-CE1 4.26Å
15Y92.2Very high90.5Very high52 Ų5260.8 Ų60.820%0.20430%0.298CS..EExtended strand (participates in β ladder)trans-82.8114.5174.2-170.3-111.9000110.6E17 R20 W22 W79Y15-E17 VanDerWaalsContact CE1-OE2 3.3Å; Y15-E17 WeakPolarHBondContact CE1-OE2 3.42Å; Y15-E17 PolarHBondContact O-N 3.47Å; Y15-R20 WeakPolarHBondContact OH-CA 3.11Å; Y15-W22 AromaticContact CD2-CD2 3.98Å; Y15-W22 HydrophobicContact CD2-CD2 3.98Å; Y15-W22 AromaticContact CD2-CE2 3.69Å; Y15-W22 HydrophobicContact CD2-CG 4.24Å; Y15-W22 HydrophobicContact CD2-CZ2 4.08Å; Y15-W22 AromaticContact CD2-NE1 3.76Å; Y15-W22 HydrophobicContact CG-CZ2 4.38Å; Y15-W79 PolarHBondContact N-O 3.26Å
16L89.2Confident91.1Very high30 Ų3061.7 Ų61.716%0.15730%0.299CS..EExtended strand (participates in β ladder)trans-91.496.8177.1-174.563.7000109.7Y14 P18 K19 R20 R21 V23Y14-L16 HydrophobicContact CE1-CD1 4.23Å; Y14-L16 PolarHBondContact O-N 2.66Å; L16-P18 VanDerWaalsContact C-CD 3.49Å; L16-K19 HydrophobicContact CD2-CB 3.93Å; L16-K19 HydrophobicContact CD2-CD 3.63Å; L16-K19 HydrophobicContact CD2-CG 3.75Å; L16-K19 HydrophobicContact CG-CB 4.26Å; L16-K19 HydrophobicContact CG-CG 4.36Å; L16-K19 CarbonylContact O-C 3.51Å; L16-K19 PolarHBondContact O-N 3Å; L16-K19 VanDerWaalsContact O-N 3.12Å; L16-R20 WeakPolarHBondContact O-CA 3.49Å; L16-R20 PolarHBondContact O-N 3.47Å; L16-R21 PolarHBondContact N-O 2.86Å; L16-R21 PolarHBondContact O-N 3.28Å; L16-V23 HydrophobicContact CB-CG2 4.29Å; L16-V23 HydrophobicContact CD2-CG2 4.48Å
17E85.1Confident91.5Very high105 Ų10558.9 Ų58.949%0.49128%0.28SS..G310 helixtrans-50.5-46.6-178.4-161.471.4-136.200113.5Y15 K19 R20Y15-E17 VanDerWaalsContact CE1-OE2 3.3Å; Y15-E17 WeakPolarHBondContact CE1-OE2 3.42Å; Y15-E17 PolarHBondContact O-N 3.47Å; E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 2.89Å; E17-R20 WeakPolarHBondContact O-CG 3.1Å; E17-R20 PolarHBondContact O-N 3.48Å; E17-R20 VanDerWaalsContact O-N 3.11Å
18P83.6Confident91.8Very high118 Ų11858.9 Ų58.977%0.76628%0.281SS*.G310 helixtrans-62.9-29.5-178.3-23.634.7000114.2L16L16-P18 VanDerWaalsContact C-CD 3.49Å
19K85.1Confident92Very high133 Ų13356.8 Ų56.858%0.57827%0.271SS*.G310 helixtrans-104.61.1179.4-60.6-170.7-173.6173.60112.4L16 E17 R21L16-K19 HydrophobicContact CD2-CB 3.93Å; L16-K19 HydrophobicContact CD2-CD 3.63Å; L16-K19 HydrophobicContact CD2-CG 3.75Å; L16-K19 HydrophobicContact CG-CB 4.26Å; L16-K19 HydrophobicContact CG-CG 4.36Å; L16-K19 CarbonylContact O-C 3.51Å; L16-K19 PolarHBondContact O-N 3Å; L16-K19 VanDerWaalsContact O-N 3.12Å; E17-K19 VanDerWaalsContact C-N 3.26Å; E17-K19 PolarHBondContact O-N 2.89Å; K19-R21 HydrophobicContact CB-CG 3.9Å; K19-R21 PolarHBondContact O-N 3.29Å; K19-R21 VanDerWaalsContact O-N 3.11Å
20R88.8Confident92Very high196 Ų19654 Ų5474%0.7425%0.254SS*.THydrogen-bonded Turntrans42.541.7-175.5-64-175173.8-171.5-1.8114.1Y15 L16 E17Y15-R20 WeakPolarHBondContact OH-CA 3.11Å; L16-R20 WeakPolarHBondContact O-CA 3.49Å; L16-R20 PolarHBondContact O-N 3.47Å; E17-R20 WeakPolarHBondContact O-CG 3.1Å; E17-R20 PolarHBondContact O-N 3.48Å; E17-R20 VanDerWaalsContact O-N 3.11Å
21R90.8Very high91.7Very high124 Ų12455.4 Ų55.447%0.46826%0.264SS..EExtended strand (participates in β ladder)trans-136.2151.5-17574.6-177.4-170173.75.6112L16 K19 V23L16-R21 PolarHBondContact N-O 2.86Å; L16-R21 PolarHBondContact O-N 3.28Å; K19-R21 HydrophobicContact CB-CG 3.9Å; K19-R21 PolarHBondContact O-N 3.29Å; K19-R21 VanDerWaalsContact O-N 3.11Å; R21-V23 HydrophobicContact CG-CG2 4.16Å
22W91.1Very high91.4Very high112 Ų11257.6 Ų57.642%0.42427%0.274SS..EExtended strand (participates in β ladder)trans-81.2137.2169.1-65.793.8000110.3Y14 Y15 W79 S81Y14-W22 WeakPolarHBondContact O-CA 3.4Å; Y15-W22 AromaticContact CD2-CD2 3.98Å; Y15-W22 HydrophobicContact CD2-CD2 3.98Å; Y15-W22 AromaticContact CD2-CE2 3.69Å; Y15-W22 HydrophobicContact CD2-CG 4.24Å; Y15-W22 HydrophobicContact CD2-CZ2 4.08Å; Y15-W22 AromaticContact CD2-NE1 3.76Å; Y15-W22 HydrophobicContact CG-CZ2 4.38Å; W22-W79 HydrophobicContact CH2-CB 4.04Å; W22-W79 HydrophobicContact CZ3-CB 4.41Å; W22-S81 VanDerWaalsContact CZ3-CB 3.44Å
23V93.4Very high91.4Very high13 Ų1358.1 Ų58.18%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-122.9132.2177.5-176.10000108.6T13 Y14 L16 R21 F36 T38 L45T13-V23 CarbonylContact C-O 3.5Å; T13-V23 WeakPolarHBondContact CA-O 3.39Å; Y14-V23 PolarHBondContact N-O 2.81Å; Y14-V23 PolarHBondContact O-N 2.78Å; L16-V23 HydrophobicContact CB-CG2 4.29Å; L16-V23 HydrophobicContact CD2-CG2 4.48Å; R21-V23 HydrophobicContact CG-CG2 4.16Å; V23-F36 WeakPolarHBondContact O-CZ 3.42Å; V23-T38 WeakPolarHBondContact CG1-OG1 3.45Å; V23-L45 HydrophobicContact CB-CD1 4.4Å; V23-L45 HydrophobicContact CG1-CD1 4.12Å
24T94.4Very high91.5Very high85 Ų8557.1 Ų57.152%0.52127%0.271SS..EExtended strand (participates in β ladder)trans-80.8140.3177.7-46.50000110.7T13 D39T13-T24 HydrophobicContact CG2-CG2 4.48Å; T24-D39 WeakPolarHBondContact CG2-OD2 3.44Å; T24-D39 PolarHBondContact O-N 2.88Å; T24-D39 VanDerWaalsContact O-N 3.11Å
25G94.5Very high91.5Very high0 Ų060.6 Ų60.60%028%0.284CS..EExtended strand (participates in β ladder)trans-176-163.2-178.500000113.3C12 F36 M37 D39C12-G25 PolarHBondContact N-O 3.46Å; C12-G25 PolarHBondContact O-N 3.47Å; G25-F36 VanDerWaalsContact CA-CZ 3.47Å; G25-M37 CarbonylContact C-O 3.26Å; G25-M37 WeakPolarHBondContact CA-O 3.29Å; G25-D39 WeakPolarHBondContact CA-OD1 3.31Å
26Q95.1Very high91.7Very high59 Ų5958.1 Ų58.128%0.27628%0.275SS..EExtended strand (participates in β ladder)trans-119.1124.6-178.2-57.2-58.9-34.600110.1T9 W10 P11 F36 M37T9-Q26 HydrophobicContact CG2-CB 3.66Å; T9-Q26 HydrophobicContact CG2-CG 4.2Å; W10-Q26 WeakPolarHBondContact O-CA 3.47Å; P11-Q26 VanDerWaalsContact N-OE1 3.12Å; Q26-F36 WeakPolarHBondContact O-CA 3.44Å; Q26-M37 PolarHBondContact N-O 2.91Å; Q26-M37 PolarHBondContact O-N 2.94Å
27L95.9Very high91.9Very high2 Ų260.1 Ų60.11%0.0128%0.284CS..EExtended strand (participates in β ladder)trans-89.8115.6167.6-179.364.3000108.5T9 W10 C12 L34 F36 F80 L83 V90 I94T9-L27 CarbonylContact C-O 3.56Å; T9-L27 WeakPolarHBondContact CA-O 3.4Å; W10-L27 HydrophobicContact CE3-CD2 4.3Å; W10-L27 HydrophobicContact CE3-CG 4.27Å; W10-L27 PolarHBondContact N-O 3.46Å; W10-L27 PolarHBondContact O-N 2.84Å; C12-L27 VanDerWaalsContact SG-CB 3.54Å; L27-L34 HydrophobicContact CD1-CD2 4.08Å; L27-L34 HydrophobicContact CG-CD2 4.3Å; L27-F36 HydrophobicContact CB-CD2 4.44Å; L27-F36 HydrophobicContact CD1-CB 4.49Å; L27-F80 HydrophobicContact CD1-CD1 4.42Å; L27-F80 HydrophobicContact CD1-CE1 3.92Å; L27-F80 HydrophobicContact CD1-CZ 4.17Å; L27-F80 HydrophobicContact CD2-CD1 4.39Å; L27-L83 HydrophobicContact CD2-CD2 4.24Å; L27-V90 HydrophobicContact CD2-CG1 4.35Å; L27-I94 HydrophobicContact CD2-CD1 3.88Å
28S94.8Very high92.3Very high16 Ų1655.2 Ų55.211%0.11226%0.261CS..EExtended strand (participates in β ladder)trans-106.6133177.155.60000110.4H8 R35H8-S28 WeakPolarHBondContact O-CA 3.36Å; S28-R35 PolarHBondContact N-O 2.85Å; S28-R35 PolarHBondContact O-N 2.94Å; S28-R35 WeakPolarHBondContact OG-CB 3.49Å; S28-R35 PolarHBondContact OG-O 3.18Å
29L94.9Very high92.6Very high0 Ų054.1 Ų54.10%025%0.249CC..EExtended strand (participates in β ladder)trans-104.9126173.7174.967.7000109.1I7 H8 W10 L34 L50 I93 F97I7-L29 HydrophobicContact CB-CG 4.5Å; I7-L29 WeakPolarHBondContact CB-O 3.36Å; I7-L29 HydrophobicContact CD1-CG 4.29Å; I7-L29 PolarHBondContact N-O 2.85Å; H8-L29 PolarHBondContact N-O 3.1Å; H8-L29 PolarHBondContact O-N 3.34Å; W10-L29 HydrophobicContact CH2-CB 3.85Å; W10-L29 HydrophobicContact CH2-CD2 3.8Å; W10-L29 HydrophobicContact CH2-CG 4.48Å; W10-L29 HydrophobicContact CZ3-CB 3.68Å; W10-L29 HydrophobicContact CZ3-CD2 4.39Å; L29-L34 HydrophobicContact CB-CD2 3.98Å; L29-L34 HydrophobicContact CD1-CD2 3.65Å; L29-L34 HydrophobicContact CD1-CG 4.09Å; L29-L34 HydrophobicContact CG-CD2 4.42Å; L29-L50 HydrophobicContact CD1-CD1 4.06Å; L29-L50 HydrophobicContact CD1-CD2 3.99Å; L29-L50 HydrophobicContact CD1-CG 4.48Å; L29-I93 HydrophobicContact CD2-CG2 3.91Å; L29-F97 HydrophobicContact CD2-CB 4.38Å; L29-F97 HydrophobicContact CD2-CD2 3.66Å; L29-F97 HydrophobicContact CD2-CE2 4.17Å; L29-F97 HydrophobicContact CD2-CG 4.07Å
30T92.1Very high92.5Very high8 Ų852 Ų525%0.04925%0.251CS..EExtended strand (participates in β ladder)trans-108.7171.816576.70000109.7D4 I7 L32 S33D4-T30 HydrophobicContact CB-CG2 4.13Å; I7-T30 VanDerWaalsContact CD1-C 3.43Å; T30-L32 PolarHBondContact O-N 3.2Å; T30-L32 PolarHBondContact OG1-N 3.46Å; T30-S33 PolarHBondContact N-O 3.47Å; T30-S33 PolarHBondContact OG1-N 3.03Å; T30-S33 PolarHBondContact OG1-O 3.46Å; T30-S33 PolarHBondContact OG1-OG 3.34Å
31S88.1Confident92.2Very high31 Ų3146.6 Ų46.622%0.21724%0.24CC..SBendtrans-57.9-22179.464.40000114.4I7 Y264I7-S31 VanDerWaalsContact CD1-N 3.33Å; S31-Y264 WeakPolarHBondContact CB-OH 3.39Å
32L89.4Confident91.8Very high83 Ų8343 Ų4344%0.43524%0.241SC..SBendtrans-128-9.6-174.4-62.6176.4000114.3T30 P49 L50 L101T30-L32 PolarHBondContact O-N 3.2Å; T30-L32 PolarHBondContact OG1-N 3.46Å; L32-P49 CarbonylContact O-C 3.52Å; L32-P49 VanDerWaalsContact O-CA 3.29Å; L32-P49 WeakPolarHBondContact O-CA 3.39Å; L32-L50 PolarHBondContact O-N 2.93Å; L32-L101 HydrophobicContact CD2-CD1 3.94Å
33S93.4Very high91.8Very high14 Ų1443.3 Ų43.310%0.09825%0.248CC..EExtended strand (participates in β ladder)trans-147.3156.4-173.870.90000113.8T30 F48T30-S33 PolarHBondContact N-O 3.47Å; T30-S33 PolarHBondContact OG1-N 3.03Å; T30-S33 PolarHBondContact OG1-O 3.46Å; T30-S33 PolarHBondContact OG1-OG 3.34Å; S33-F48 WeakPolarHBondContact CA-O 3.41Å; S33-F48 WeakPolarHBondContact CB-O 3.47Å
34L95Very high91.6Very high1 Ų146.3 Ų46.31%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-109.6137.9164.5-81.1170.3000109.6L27 L29 S47 F48 L50 I53 I70 I94L27-L34 HydrophobicContact CD1-CD2 4.08Å; L27-L34 HydrophobicContact CG-CD2 4.3Å; L29-L34 HydrophobicContact CB-CD2 3.98Å; L29-L34 HydrophobicContact CD1-CD2 3.65Å; L29-L34 HydrophobicContact CD1-CG 4.09Å; L29-L34 HydrophobicContact CG-CD2 4.42Å; L34-S47 WeakPolarHBondContact O-CA 3.42Å; L34-F48 HydrophobicContact CB-CD2 4.37Å; L34-F48 HydrophobicContact CB-CE2 3.83Å; L34-F48 HydrophobicContact CB-CZ 4.06Å; L34-F48 HydrophobicContact CD1-CE2 3.89Å; L34-F48 HydrophobicContact CD1-CZ 4.18Å; L34-F48 HydrophobicContact CG-CE2 4.47Å; L34-F48 PolarHBondContact N-O 3.3Å; L34-F48 PolarHBondContact O-N 3.03Å; L34-L50 HydrophobicContact CD1-CD2 3.99Å; L34-L50 HydrophobicContact CG-CD2 3.76Å; L34-I53 HydrophobicContact CD1-CD1 3.95Å; L34-I70 HydrophobicContact CD1-CD1 3.53Å; L34-I94 HydrophobicContact CD1-CD1 4.28Å; L34-I94 HydrophobicContact CD1-CG2 3.75Å; L34-I94 HydrophobicContact CD2-CD1 3.99Å; L34-I94 HydrophobicContact CD2-CG1 4.17Å
35R95.1Very high91.4Very high90 Ų9045.1 Ų45.134%0.3425%0.252SS..EExtended strand (participates in β ladder)trans-138.5130.2-178.2174.8-168.7-65.2-170.53.6110.7S28 I44 V46S28-R35 PolarHBondContact N-O 2.85Å; S28-R35 PolarHBondContact O-N 2.94Å; S28-R35 WeakPolarHBondContact OG-CB 3.49Å; S28-R35 PolarHBondContact OG-O 3.18Å; R35-I44 HydrophobicContact CG-CB 4.48Å; R35-I44 HydrophobicContact CG-CD1 4.27Å; R35-I44 HydrophobicContact CG-CG1 4.1Å; R35-I44 HydrophobicContact CG-CG2 3.66Å; R35-V46 CarbonylContact C-O 3.5Å; R35-V46 WeakPolarHBondContact CA-O 3.45Å
36F95.2Very high91.3Very high0 Ų045.9 Ų45.90%026%0.257CS..EExtended strand (participates in β ladder)trans-107.2125.3171.3-177-91.9000110.8C12 Y14 V23 G25 Q26 L27 L45 V46 F80C12-F36 VanDerWaalsContact SG-CE2 3.57Å; Y14-F36 VanDerWaalsContact CB-CE1 3.46Å; Y14-F36 VanDerWaalsContact CB-CZ 3.45Å; Y14-F36 HydrophobicContact CD1-CD1 4.37Å; Y14-F36 HydrophobicContact CG-CD1 4.14Å; Y14-F36 HydrophobicContact CG-CE1 4.29Å; Y14-F36 HydrophobicContact CG-CG 4.39Å; V23-F36 WeakPolarHBondContact O-CZ 3.42Å; G25-F36 VanDerWaalsContact CA-CZ 3.47Å; Q26-F36 WeakPolarHBondContact O-CA 3.44Å; L27-F36 HydrophobicContact CB-CD2 4.44Å; L27-F36 HydrophobicContact CD1-CB 4.49Å; F36-L45 HydrophobicContact CD1-CB 4.18Å; F36-L45 HydrophobicContact CD1-CD1 4.26Å; F36-L45 HydrophobicContact CD1-CG 4.48Å; F36-L45 HydrophobicContact CE1-CD1 4.03Å; F36-L45 PolarHBondContact O-N 2.89Å; F36-V46 HydrophobicContact CB-CB 4.31Å; F36-V46 PolarHBondContact N-O 2.72Å; F36-V46 PolarHBondContact O-N 2.9Å; F36-F80 HydrophobicContact CB-CE1 4.05Å; F36-F80 HydrophobicContact CD2-CD1 4.31Å; F36-F80 HydrophobicContact CD2-CE1 4.04Å; F36-F80 HydrophobicContact CG-CE1 4.24Å
37M94.3Very high91.2Very high72 Ų7246.2 Ų46.236%0.35527%0.266SS..EExtended strand (participates in β ladder)trans-113.5131.6177.3-170-175.2-52.600109.4G25 Q26 G42 E43G25-M37 CarbonylContact C-O 3.26Å; G25-M37 WeakPolarHBondContact CA-O 3.29Å; Q26-M37 PolarHBondContact N-O 2.91Å; Q26-M37 PolarHBondContact O-N 2.94Å; M37-G42 WeakPolarHBondContact CG-O 3.38Å; M37-E43 WeakPolarHBondContact CA-O 3.26Å
38T93.8Very high91.1Very high3 Ų346.3 Ų46.32%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-82.1139.6178.51780000111.5V23 S40 T41 G42 E43 L45V23-T38 WeakPolarHBondContact CG1-OG1 3.45Å; T38-S40 PolarHBondContact O-N 3.18Å; T38-S40 PolarHBondContact OG1-N 3.41Å; T38-S40 PolarHBondContact OG1-OG 3.31Å; T38-T41 WeakPolarHBondContact CG2-OG1 3.42Å; T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 2.83Å; T38-E43 HydrophobicContact CG2-CB 4.49Å; T38-E43 PolarHBondContact N-O 2.88Å; T38-L45 HydrophobicContact CG2-CD1 4.19Å; T38-L45 HydrophobicContact CG2-CD2 4.12Å; T38-L45 HydrophobicContact CG2-CG 3.97Å
39D89.9Confident91Very high94 Ų9448.3 Ų48.350%0.50328%0.279SS..THydrogen-bonded Turntrans-69-25.2177.4-64.1-26.1000111.7T24 G25T24-D39 WeakPolarHBondContact CG2-OD2 3.44Å; T24-D39 PolarHBondContact O-N 2.88Å; T24-D39 VanDerWaalsContact O-N 3.11Å; G25-D39 WeakPolarHBondContact CA-OD1 3.31Å
40S83.3Confident90.9Very high90 Ų9048.3 Ų48.363%0.62928%0.279SS*.THydrogen-bonded Turntrans-75.3-37.8-173.364.50000114.4T38T38-S40 PolarHBondContact O-N 3.18Å; T38-S40 PolarHBondContact OG1-N 3.41Å; T38-S40 PolarHBondContact OG1-OG 3.31Å
41T81.1Confident90.9Very high81 Ų8150.1 Ų50.150%0.49729%0.292SS..THydrogen-bonded Turntrans-120.5-8.4-176.6560000112.8T38 E43T38-T41 WeakPolarHBondContact CG2-OG1 3.42Å; T41-E43 PolarHBondContact O-N 3.01Å; T41-E43 VanDerWaalsContact O-N 3.16Å; T41-E43 PolarHBondContact OG1-OE2 3.28Å; T41-E43 VanDerWaalsContact OG1-OE2 3.12Å
42G83.4Confident91.2Very high48 Ų4849.2 Ų49.250%0.49529%0.285SS..  trans66.57.3-173.200000113.6M37 T38M37-G42 WeakPolarHBondContact CG-O 3.38Å; T38-G42 WeakPolarHBondContact O-CA 3.46Å; T38-G42 PolarHBondContact O-N 2.83Å
43E89.6Confident91.4Very high120 Ų12045.5 Ų45.556%0.56127%0.266SS*.  trans-86.4152.8-177.8-65.8172.9153.900111.4M37 T38 T41 L45M37-E43 WeakPolarHBondContact CA-O 3.26Å; T38-E43 HydrophobicContact CG2-CB 4.49Å; T38-E43 PolarHBondContact N-O 2.88Å; T41-E43 PolarHBondContact O-N 3.01Å; T41-E43 VanDerWaalsContact O-N 3.16Å; T41-E43 PolarHBondContact OG1-OE2 3.28Å; T41-E43 VanDerWaalsContact OG1-OE2 3.12Å; E43-L45 PolarHBondContact O-N 3.47Å
44I90.6Very high91.5Very high76 Ų7648.6 Ų48.639%0.3928%0.284SS..EExtended strand (participates in β ladder)trans-81.9109.7174.1-61.4168.9000108R35 V46R35-I44 HydrophobicContact CG-CB 4.48Å; R35-I44 HydrophobicContact CG-CD1 4.27Å; R35-I44 HydrophobicContact CG-CG1 4.1Å; R35-I44 HydrophobicContact CG-CG2 3.66Å; I44-V46 WeakPolarHBondContact CG2-O 3.41Å
45L90.4Very high91.4Very high59 Ų5952 Ų5231%0.30930%0.3SS..EExtended strand (participates in β ladder)trans-82.1-32.3177.6-62.1-174.8000112.2V23 F36 T38 E43V23-L45 HydrophobicContact CB-CD1 4.4Å; V23-L45 HydrophobicContact CG1-CD1 4.12Å; F36-L45 HydrophobicContact CD1-CB 4.18Å; F36-L45 HydrophobicContact CD1-CD1 4.26Å; F36-L45 HydrophobicContact CD1-CG 4.48Å; F36-L45 HydrophobicContact CE1-CD1 4.03Å; F36-L45 PolarHBondContact O-N 2.89Å; T38-L45 HydrophobicContact CG2-CD1 4.19Å; T38-L45 HydrophobicContact CG2-CD2 4.12Å; T38-L45 HydrophobicContact CG2-CG 3.97Å; E43-L45 PolarHBondContact O-N 3.47Å
46V91.5Very high91.4Very high16 Ų1648.3 Ų48.310%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-142.9133.3-178.4-179.80000109Y14 R35 F36 I44 F48Y14-V46 HydrophobicContact CD1-CG2 4.2Å; Y14-V46 HydrophobicContact CE1-CG2 3.49Å; Y14-V46 VanDerWaalsContact CE1-CG2 3.49Å; Y14-V46 HydrophobicContact CE2-CG2 3.89Å; Y14-V46 WeakPolarHBondContact OH-CG2 3.34Å; R35-V46 CarbonylContact C-O 3.5Å; R35-V46 WeakPolarHBondContact CA-O 3.45Å; F36-V46 HydrophobicContact CB-CB 4.31Å; F36-V46 PolarHBondContact N-O 2.72Å; F36-V46 PolarHBondContact O-N 2.9Å; I44-V46 WeakPolarHBondContact CG2-O 3.41Å; V46-F48 HydrophobicContact CG1-CD1 3.41Å; V46-F48 VanDerWaalsContact CG1-CD1 3.41Å; V46-F48 HydrophobicContact CG1-CE1 3.45Å; V46-F48 VanDerWaalsContact CG1-CE1 3.45Å
47S93.3Very high91.4Very high67 Ų6752.8 Ų52.847%0.46931%0.306SS..EExtended strand (participates in β ladder)trans-149.1118.9172.2-177.10000108.5L34L34-S47 WeakPolarHBondContact O-CA 3.42Å
48F93.3Very high91.3Very high4 Ų453.7 Ų53.72%0.01831%0.308CS..EExtended strand (participates in β ladder)trans-139.7147.9176.652.5-101000110.8S33 L34 V46 I53 I70 E72 H78S33-F48 WeakPolarHBondContact CA-O 3.41Å; S33-F48 WeakPolarHBondContact CB-O 3.47Å; L34-F48 HydrophobicContact CB-CD2 4.37Å; L34-F48 HydrophobicContact CB-CE2 3.83Å; L34-F48 HydrophobicContact CB-CZ 4.06Å; L34-F48 HydrophobicContact CD1-CE2 3.89Å; L34-F48 HydrophobicContact CD1-CZ 4.18Å; L34-F48 HydrophobicContact CG-CE2 4.47Å; L34-F48 PolarHBondContact N-O 3.3Å; L34-F48 PolarHBondContact O-N 3.03Å; V46-F48 HydrophobicContact CG1-CD1 3.41Å; V46-F48 VanDerWaalsContact CG1-CD1 3.41Å; V46-F48 HydrophobicContact CG1-CE1 3.45Å; V46-F48 VanDerWaalsContact CG1-CE1 3.45Å; F48-I53 HydrophobicContact CD2-CD1 4.46Å; F48-I53 HydrophobicContact CD2-CG1 4.03Å; F48-I53 HydrophobicContact CE2-CD1 3.9Å; F48-I53 HydrophobicContact CE2-CG1 3.76Å; F48-I70 HydrophobicContact CE2-CG2 3.81Å; F48-I70 HydrophobicContact CZ-CB 4.25Å; F48-I70 HydrophobicContact CZ-CD1 4.08Å; F48-I70 HydrophobicContact CZ-CG2 3.77Å; F48-E72 WeakPolarHBondContact CB-OE1 3.35Å; F48-H78 AromaticContact CD1-CD2 3.98Å; F48-H78 AromaticContact CD1-NE2 3.86Å; F48-H78 HydrophobicContact CE1-CB 4.47Å; F48-H78 AromaticContact CE1-CD2 3.53Å; F48-H78 AromaticContact CE1-CG 3.87Å; F48-H78 AromaticContact CE1-NE2 3.87Å
49P93.6Very high91.1Very high58 Ų5856.1 Ų56.138%0.37732%0.319SS..EExtended strand (participates in β ladder)trans-69.6146.8176.727.6-31.3000111L32 S51 S52L32-P49 CarbonylContact O-C 3.52Å; L32-P49 VanDerWaalsContact O-CA 3.29Å; L32-P49 WeakPolarHBondContact O-CA 3.39Å; P49-S51 PolarHBondContact O-N 2.75Å; P49-S51 VanDerWaalsContact O-N 3.15Å; P49-S52 WeakPolarHBondContact CD-OG 3.45Å; P49-S52 PolarHBondContact O-N 2.74Å; P49-S52 PolarHBondContact O-OG 2.56Å
50L93.2Very high90.3Very high0 Ų055.4 Ų55.40%033%0.327CS..G310 helixtrans-58.9-28.7175.3-68.7177000111.7L29 L32 L34 S52 I53 F97 L101L29-L50 HydrophobicContact CD1-CD1 4.06Å; L29-L50 HydrophobicContact CD1-CD2 3.99Å; L29-L50 HydrophobicContact CD1-CG 4.48Å; L32-L50 PolarHBondContact O-N 2.93Å; L34-L50 HydrophobicContact CD1-CD2 3.99Å; L34-L50 HydrophobicContact CG-CD2 3.76Å; L50-S52 VanDerWaalsContact C-N 3.25Å; L50-S52 PolarHBondContact O-N 3.31Å; L50-I53 HydrophobicContact CD2-CD1 3.63Å; L50-I53 WeakPolarHBondContact O-CB 3.27Å; L50-I53 PolarHBondContact O-N 2.75Å; L50-F97 HydrophobicContact CD1-CB 4.07Å; L50-L101 HydrophobicContact CB-CD2 3.56Å
51S92.4Very high89.2Confident46 Ų4654 Ų5432%0.32232%0.317SS..G310 helixtrans-72.1-12.8176.561.10000114.4P49 K73P49-S51 PolarHBondContact O-N 2.75Å; P49-S51 VanDerWaalsContact O-N 3.15Å; S51-K73 WeakPolarHBondContact O-CE 3.45Å; S51-K73 PolarHBondContact O-NZ 2.86Å
52S92.9Very high88.1Confident11 Ų1159.2 Ų59.28%0.07734%0.335CS..G310 helixtrans-88.9-8.9171.369.80000113.1P49 L50 V54 E72 K73P49-S52 WeakPolarHBondContact CD-OG 3.45Å; P49-S52 PolarHBondContact O-N 2.74Å; P49-S52 PolarHBondContact O-OG 2.56Å; L50-S52 VanDerWaalsContact C-N 3.25Å; L50-S52 PolarHBondContact O-N 3.31Å; S52-V54 PolarHBondContact O-N 2.66Å; S52-E72 WeakPolarHBondContact CB-OE1 3.23Å; S52-E72 CarbonylContact O-C 3.53Å; S52-E72 WeakPolarHBondContact O-CA 3.42Å; S52-E72 VanDerWaalsContact OG-CG 3.31Å; S52-E72 WeakPolarHBondContact OG-CG 3.36Å; S52-E72 PolarHBondContact OG-OE1 3.04Å; S52-K73 WeakPolarHBondContact O-CG 3.47Å; S52-K73 PolarHBondContact O-N 3.03Å
53I94.8Very high86.7Confident6 Ų666.2 Ų66.23%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-71.5125.3176.4-57.7174.1000109.9L34 F48 L50 I56 I70 W98L34-I53 HydrophobicContact CD1-CD1 3.95Å; F48-I53 HydrophobicContact CD2-CD1 4.46Å; F48-I53 HydrophobicContact CD2-CG1 4.03Å; F48-I53 HydrophobicContact CE2-CD1 3.9Å; F48-I53 HydrophobicContact CE2-CG1 3.76Å; L50-I53 HydrophobicContact CD2-CD1 3.63Å; L50-I53 WeakPolarHBondContact O-CB 3.27Å; L50-I53 PolarHBondContact O-N 2.75Å; I53-I56 HydrophobicContact CD1-CD1 4.41Å; I53-I56 HydrophobicContact CG2-CD1 4.14Å; I53-I56 HydrophobicContact CG2-CG1 3.59Å; I53-I70 HydrophobicContact CB-CG2 4.43Å; I53-I70 HydrophobicContact CD1-CG2 4.11Å; I53-I70 HydrophobicContact CG1-CG2 3.87Å; I53-I70 HydrophobicContact CG2-CG2 3.87Å; I53-W98 HydrophobicContact CB-CG 4.5Å; I53-W98 HydrophobicContact CG2-CD2 4.22Å; I53-W98 HydrophobicContact CG2-CG 4.47Å; I53-W98 HydrophobicContact CG2-CZ2 4.1Å; I53-W98 PolarHBondContact O-NE1 2.81Å; I53-W98 VanDerWaalsContact O-NE1 3.14Å
54V94Very high85.2Confident78 Ų7864.2 Ų64.247%0.47334%0.344SS..EExtended strand (participates in β ladder)trans-92.9-41.9174.2178.60000110.4S52 L71 K73 W98S52-V54 PolarHBondContact O-N 2.66Å; V54-L71 HydrophobicContact CB-CD2 4.32Å; V54-L71 HydrophobicContact CB-CG 4.34Å; V54-L71 HydrophobicContact CG1-CD2 4.24Å; V54-L71 PolarHBondContact N-O 3.38Å; V54-K73 HydrophobicContact CG2-CB 4.48Å; V54-K73 HydrophobicContact CG2-CG 3.78Å; V54-W98 WeakPolarHBondContact O-CZ2 3.5Å
55E94.6Very high84.2Confident72 Ų7268 Ų6834%0.33636%0.358SS..EExtended strand (participates in β ladder)trans-151.8143.4-175.5-174.1175.5-150.100111.4K57 L71E55-K57 HydrophobicContact CG-CD 4.26Å; E55-K57 HydrophobicContact CG-CG 4.08Å; E55-K57 WeakPolarHBondContact OE1-CD 3.48Å; E55-K57 WeakPolarHBondContact OE1-CE 3.18Å; E55-K57 IonicContact OE1-NZ 2.83Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CE 3.28Å; E55-K57 IonicContact OE2-NZ 3.84Å; E55-K57 PolarHBondContact OE2-NZ 3.26Å; E55-L71 HydrophobicContact CB-CB 4.08Å; E55-L71 HydrophobicContact CB-CD2 4.39Å; E55-L71 PolarHBondContact N-O 2.87Å; E55-L71 PolarHBondContact O-N 3.28Å
56I94.9Very high83.9Confident14 Ų1467.8 Ų67.87%0.07236%0.362CS..EExtended strand (participates in β ladder)trans-122.1124170.3-49.7179.2000107.8I53 I68 T69 I70 F91 I94 W98I53-I56 HydrophobicContact CD1-CD1 4.41Å; I53-I56 HydrophobicContact CG2-CD1 4.14Å; I53-I56 HydrophobicContact CG2-CG1 3.59Å; I56-I68 HydrophobicContact CG2-CG2 3.74Å; I56-T69 WeakPolarHBondContact CA-O 3.39Å; I56-I70 HydrophobicContact CG2-CG1 4.36Å; I56-F91 HydrophobicContact CB-CE2 4.09Å; I56-F91 HydrophobicContact CG2-CD2 3.65Å; I56-F91 HydrophobicContact CG2-CE2 3.56Å; I56-I94 HydrophobicContact CD1-CG2 3.66Å; I56-W98 HydrophobicContact CD1-CB 4.18Å; I56-W98 HydrophobicContact CD1-CD2 3.96Å; I56-W98 HydrophobicContact CD1-CE3 3.66Å; I56-W98 HydrophobicContact CD1-CG 4.21Å; I56-W98 HydrophobicContact CD1-CZ3 4.34Å; I56-W98 HydrophobicContact CG1-CD2 4.37Å; I56-W98 HydrophobicContact CG1-CE3 3.98Å; I56-W98 HydrophobicContact CG1-CZ3 4.18Å
57K93.9Very high83.8Confident94 Ų9467.1 Ų67.141%0.40936%0.358SS..EExtended strand (participates in β ladder)trans-123140.6-178.5-89.2169.7162.6143.50111.4E55 E59 I68 T69E55-K57 HydrophobicContact CG-CD 4.26Å; E55-K57 HydrophobicContact CG-CG 4.08Å; E55-K57 WeakPolarHBondContact OE1-CD 3.48Å; E55-K57 WeakPolarHBondContact OE1-CE 3.18Å; E55-K57 IonicContact OE1-NZ 2.83Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CE 3.28Å; E55-K57 IonicContact OE2-NZ 3.84Å; E55-K57 PolarHBondContact OE2-NZ 3.26Å; K57-E59 HydrophobicContact CB-CG 4.39Å; K57-I68 WeakPolarHBondContact O-CA 3.4Å; K57-T69 WeakPolarHBondContact CB-OG1 3.42Å; K57-T69 PolarHBondContact N-O 3.28Å; K57-T69 PolarHBondContact O-N 3.38Å
58K93.2Very high83.9Confident91 Ų9164 Ų6440%0.39634%0.336SS..EExtended strand (participates in β ladder)trans-86.3112.3165.1-77.8176.6-88.2-1590107.4F91K58-F91 HydrophobicContact CD-CB 4.05Å; K58-F91 HydrophobicContact CD-CD1 3.82Å; K58-F91 HydrophobicContact CD-CD2 4.05Å; K58-F91 HydrophobicContact CD-CE1 4.25Å; K58-F91 HydrophobicContact CD-CE2 4.46Å; K58-F91 HydrophobicContact CD-CG 3.68Å; K58-F91 HydrophobicContact CG-CB 4.08Å; K58-F91 HydrophobicContact CG-CD1 4.24Å; K58-F91 HydrophobicContact CG-CD2 3.52Å; K58-F91 HydrophobicContact CG-CE2 3.94Å; K58-F91 HydrophobicContact CG-CG 3.67Å; K58-F91 HydrophobicContact CG-CZ 4.47Å; K58-F91 VanDerWaalsContact NZ-CE1 3.27Å
59E88.3Confident83.9Confident53 Ų5364.1 Ų64.125%0.24834%0.337CS..EExtended strand (participates in β ladder)trans-103.5139.4175.1-65-160.7-148.400110K57 S67 T69 K77 W79 R87K57-E59 HydrophobicContact CB-CG 4.39Å; E59-S67 PolarHBondContact N-O 3.25Å; E59-S67 PolarHBondContact O-N 3.41Å; E59-S67 VanDerWaalsContact O-N 3.09Å; E59-S67 VanDerWaalsContact O-O 3.06Å; E59-S67 PolarHBondContact O-OG 2.96Å; E59-T69 HydrophobicContact CB-CG2 4.41Å; E59-T69 HydrophobicContact CG-CG2 3.95Å; E59-T69 VanDerWaalsContact OE1-CG2 3.26Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.37Å; E59-T69 PolarHBondContact OE1-OG1 3.22Å; E59-K77 WeakPolarHBondContact OE1-CE 3.22Å; E59-K77 IonicContact OE1-NZ 2.66Å; E59-K77 PolarHBondContact OE1-NZ 3.35Å; E59-K77 IonicContact OE2-NZ 3.79Å; E59-W79 HydrophobicContact CB-CZ3 4.48Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.25Å; E59-W79 VanDerWaalsContact OE2-CZ3 3.25Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.5Å; E59-R87 PolarHBondContact O-NH1 3.27Å
60A74Confident84Confident80 Ų8061.3 Ų61.366%0.66132%0.319SS*.  trans-142124172.200000106.3
61S60.2Low84.1Confident59 Ų5963.3 Ų63.341%0.41333%0.33SS..  trans-110.5156.3167.4175.40000108F63 I64S61-F63 PolarHBondContact O-N 2.87Å; S61-F63 PolarHBondContact OG-N 2.98Å; S61-I64 PolarHBondContact O-N 3.43Å
62H58.3Low84.2Confident191 Ų19163.1 Ų63.188%0.88432%0.324SS*.SBendtrans-58-16.4172.5-69.1-77.1000113
63F52.9Low84Confident195 Ų19569 Ų6986%0.85535%0.347SS*.SBendtrans-121.4-10179.2-64.5-81.8000114.7S61S61-F63 PolarHBondContact O-N 2.87Å; S61-F63 PolarHBondContact OG-N 2.98Å
64I57.9Low83.6Confident78 Ų7872.1 Ų72.140%0.438%0.381SS..SBendtrans-108.4126.1-176.7-51.4172.3000108.6S61S61-I64 PolarHBondContact O-N 3.43Å
65F69.9Low83.2Confident155 Ų15576.4 Ų76.468%0.6840%0.396SS*.  trans-42.1147.7168.6-53.9-81.9000111.8S67 S81F65-S67 PolarHBondContact O-N 2.9Å; F65-S81 WeakPolarHBondContact CB-OG 3.42Å
66S84.6Confident83Confident55 Ų5574.8 Ų74.839%0.38540%0.395SS..SBendtrans-51.5116.4-179.8610000111.4
67S90.6Very high82.9Confident2 Ų278.1 Ų78.11%0.01441%0.409CS..EExtended strand (participates in β ladder)trans-127.3155.6-172.251.70000112.9E59 F65 F80 R87E59-S67 PolarHBondContact N-O 3.25Å; E59-S67 PolarHBondContact O-N 3.41Å; E59-S67 VanDerWaalsContact O-N 3.09Å; E59-S67 VanDerWaalsContact O-O 3.06Å; E59-S67 PolarHBondContact O-OG 2.96Å; F65-S67 PolarHBondContact O-N 2.9Å; S67-F80 CarbonylContact C-O 3.54Å; S67-F80 WeakPolarHBondContact CA-O 3.48Å; S67-F80 WeakPolarHBondContact CB-O 3.47Å; S67-R87 WeakPolarHBondContact O-CD 3.02Å
68I94.3Very high82.9Confident2 Ų274.5 Ų74.51%0.0139%0.393CS..EExtended strand (participates in β ladder)trans-114.1132.9169.2-62.9176.4000107.2I56 K57 I70 F80 L83 R87 V90 F91I56-I68 HydrophobicContact CG2-CG2 3.74Å; K57-I68 WeakPolarHBondContact O-CA 3.4Å; I68-I70 HydrophobicContact CG2-CG1 4.09Å; I68-F80 PolarHBondContact N-O 3.49Å; I68-F80 PolarHBondContact O-N 3.3Å; I68-L83 HydrophobicContact CB-CD1 3.96Å; I68-L83 HydrophobicContact CD1-CD1 3.46Å; I68-L83 VanDerWaalsContact CD1-CD1 3.46Å; I68-L83 HydrophobicContact CG1-CD1 3.48Å; I68-L83 VanDerWaalsContact CG1-CD1 3.48Å; I68-R87 HydrophobicContact CD1-CG 4.17Å; I68-R87 HydrophobicContact CG1-CG 3.63Å; I68-V90 HydrophobicContact CD1-CB 4.21Å; I68-V90 HydrophobicContact CD1-CG1 4.21Å; I68-F91 HydrophobicContact CD1-CB 3.71Å; I68-F91 HydrophobicContact CG1-CB 4.37Å
69T94.3Very high82.9Confident6 Ų672.6 Ų72.64%0.03738%0.384CS..EExtended strand (participates in β ladder)trans-109.6134.7170.258.20000110I56 K57 E59 K77 H78 W79I56-T69 WeakPolarHBondContact CA-O 3.39Å; K57-T69 WeakPolarHBondContact CB-OG1 3.42Å; K57-T69 PolarHBondContact N-O 3.28Å; K57-T69 PolarHBondContact O-N 3.38Å; E59-T69 HydrophobicContact CB-CG2 4.41Å; E59-T69 HydrophobicContact CG-CG2 3.95Å; E59-T69 VanDerWaalsContact OE1-CG2 3.26Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.37Å; E59-T69 PolarHBondContact OE1-OG1 3.22Å; T69-K77 VanDerWaalsContact CB-CE 3.48Å; T69-H78 CarbonylContact C-O 3.45Å; T69-H78 VanDerWaalsContact CA-O 3.27Å; T69-H78 WeakPolarHBondContact CA-O 3.32Å; T69-W79 HydrophobicContact CG2-CD2 3.46Å; T69-W79 VanDerWaalsContact CG2-CD2 3.46Å; T69-W79 HydrophobicContact CG2-CE3 3.15Å; T69-W79 HydrophobicContact CG2-CG 4.12Å; T69-W79 HydrophobicContact CG2-CH2 4Å; T69-W79 HydrophobicContact CG2-CZ2 4.28Å; T69-W79 HydrophobicContact CG2-CZ3 3.43Å; T69-W79 VanDerWaalsContact CG2-CZ3 3.43Å
70I95.4Very high83.2Confident0 Ų070.1 Ų70.10%037%0.372CS..EExtended strand (participates in β ladder)trans-119.4120.6177.5-56.4-176.6000107.1L34 F48 I53 I56 I68 H78 F80L34-I70 HydrophobicContact CD1-CD1 3.53Å; F48-I70 HydrophobicContact CE2-CG2 3.81Å; F48-I70 HydrophobicContact CZ-CB 4.25Å; F48-I70 HydrophobicContact CZ-CD1 4.08Å; F48-I70 HydrophobicContact CZ-CG2 3.77Å; I53-I70 HydrophobicContact CB-CG2 4.43Å; I53-I70 HydrophobicContact CD1-CG2 4.11Å; I53-I70 HydrophobicContact CG1-CG2 3.87Å; I53-I70 HydrophobicContact CG2-CG2 3.87Å; I56-I70 HydrophobicContact CG2-CG1 4.36Å; I68-I70 HydrophobicContact CG2-CG1 4.09Å; I70-H78 HydrophobicContact CB-CB 4.38Å; I70-H78 PolarHBondContact N-O 2.87Å; I70-H78 PolarHBondContact O-N 2.8Å; I70-F80 HydrophobicContact CB-CE2 4.48Å; I70-F80 HydrophobicContact CD1-CD2 4.15Å; I70-F80 HydrophobicContact CD1-CE2 3.81Å; I70-F80 HydrophobicContact CG1-CD2 4.3Å; I70-F80 HydrophobicContact CG1-CE2 4.14Å
71L94.9Very high84.1Confident42 Ų4266.4 Ų66.422%0.2234%0.341CS..EExtended strand (participates in β ladder)trans-96118.4175.4-176.365.7000109V54 E55V54-L71 HydrophobicContact CB-CD2 4.32Å; V54-L71 HydrophobicContact CB-CG 4.34Å; V54-L71 HydrophobicContact CG1-CD2 4.24Å; V54-L71 PolarHBondContact N-O 3.38Å; E55-L71 HydrophobicContact CB-CB 4.08Å; E55-L71 HydrophobicContact CB-CD2 4.39Å; E55-L71 PolarHBondContact N-O 2.87Å; E55-L71 PolarHBondContact O-N 3.28Å
72E93.9Very high85.5Confident42 Ų4266.4 Ų66.420%0.19634%0.341CS..EExtended strand (participates in β ladder)trans-90.6154.6174.6-161.7-179.9-172.200111.5F48 S52 G74 H75 A76 H78F48-E72 WeakPolarHBondContact CB-OE1 3.35Å; S52-E72 WeakPolarHBondContact CB-OE1 3.23Å; S52-E72 CarbonylContact O-C 3.53Å; S52-E72 WeakPolarHBondContact O-CA 3.42Å; S52-E72 VanDerWaalsContact OG-CG 3.31Å; S52-E72 WeakPolarHBondContact OG-CG 3.36Å; S52-E72 PolarHBondContact OG-OE1 3.04Å; E72-G74 PolarHBondContact O-N 3.26Å; E72-H75 PolarHBondContact O-N 3.03Å; E72-A76 HydrophobicContact CB-CB 4.23Å; E72-A76 PolarHBondContact N-O 3.15Å; E72-H78 IonicContact OE2-NE2 3.35Å
73K89.9Confident87.1Confident133 Ų13357.6 Ų57.658%0.57830%0.301SS*.THydrogen-bonded Turntrans-50129.9163.2-75.7176.2-175.21650109.5S51 S52 V54S51-K73 WeakPolarHBondContact O-CE 3.45Å; S51-K73 PolarHBondContact O-NZ 2.86Å; S52-K73 WeakPolarHBondContact O-CG 3.47Å; S52-K73 PolarHBondContact O-N 3.03Å; V54-K73 HydrophobicContact CG2-CB 4.48Å; V54-K73 HydrophobicContact CG2-CG 3.78Å
74G86.5Confident88.9Confident72 Ų7256.1 Ų56.174%0.74229%0.289SS*.THydrogen-bonded Turntrans94.510.9-17000000114.1E72 A76E72-G74 PolarHBondContact O-N 3.26Å; G74-A76 PolarHBondContact O-N 3.12Å
75H85Confident90.3Very high168 Ų16855.7 Ų55.778%0.77829%0.291SS*.SBendtrans62.220.8175.8-60.4-80000114.8E72 K77E72-H75 PolarHBondContact O-N 3.03Å; H75-K77 PolarHBondContact O-N 3.06Å
76A90.2Very high91.3Very high38 Ų3849.8 Ų49.831%0.31427%0.27SS..PPolyproline II helixtrans-74.1120171.100000109.5E72 G74E72-A76 HydrophobicContact CB-CB 4.23Å; E72-A76 PolarHBondContact N-O 3.15Å; G74-A76 PolarHBondContact O-N 3.12Å
77K92.9Very high91.6Very high85 Ų8549.5 Ų49.537%0.3726%0.26SS..EExtended strand (participates in β ladder)trans-102.5116.9179-170.8177.2-176.1-177.30109.9E59 T69 H75 W79E59-K77 WeakPolarHBondContact OE1-CE 3.22Å; E59-K77 IonicContact OE1-NZ 2.66Å; E59-K77 PolarHBondContact OE1-NZ 3.35Å; E59-K77 IonicContact OE2-NZ 3.79Å; T69-K77 VanDerWaalsContact CB-CE 3.48Å; H75-K77 PolarHBondContact O-N 3.06Å; K77-W79 HydrophobicContact CD-CZ2 3.8Å; K77-W79 VanDerWaalsContact NZ-CH2 3.27Å
78H93.5Very high91.7Very high17 Ų1753 Ų538%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-100.3130.8177.6-61.1-70.7000110.4Y14 F48 T69 I70 E72 F80Y14-H78 HydrophobicContact CE2-CB 3.97Å; Y14-H78 AromaticContact CE2-ND1 3.85Å; Y14-H78 AromaticContact CZ-ND1 3.84Å; Y14-H78 PolarHBondContact OH-ND1 3.02Å; F48-H78 AromaticContact CD1-CD2 3.98Å; F48-H78 AromaticContact CD1-NE2 3.86Å; F48-H78 HydrophobicContact CE1-CB 4.47Å; F48-H78 AromaticContact CE1-CD2 3.53Å; F48-H78 AromaticContact CE1-CG 3.87Å; F48-H78 AromaticContact CE1-NE2 3.87Å; T69-H78 CarbonylContact C-O 3.45Å; T69-H78 VanDerWaalsContact CA-O 3.27Å; T69-H78 WeakPolarHBondContact CA-O 3.32Å; I70-H78 HydrophobicContact CB-CB 4.38Å; I70-H78 PolarHBondContact N-O 2.87Å; I70-H78 PolarHBondContact O-N 2.8Å; E72-H78 IonicContact OE2-NE2 3.35Å; H78-F80 HydrophobicContact CB-CE2 3.68Å; H78-F80 HydrophobicContact CB-CZ 4.13Å
79W94Very high91.6Very high52 Ų5253.2 Ų53.220%0.19728%0.28CS..EExtended strand (participates in β ladder)trans-112.9124.9179-60.978000110.9Y14 Y15 W22 E59 T69 K77Y14-W79 WeakPolarHBondContact CA-O 3.13Å; Y14-W79 WeakPolarHBondContact CD2-O 3.43Å; Y15-W79 PolarHBondContact N-O 3.26Å; W22-W79 HydrophobicContact CH2-CB 4.04Å; W22-W79 HydrophobicContact CZ3-CB 4.41Å; E59-W79 HydrophobicContact CB-CZ3 4.48Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.25Å; E59-W79 VanDerWaalsContact OE2-CZ3 3.25Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.5Å; T69-W79 HydrophobicContact CG2-CD2 3.46Å; T69-W79 VanDerWaalsContact CG2-CD2 3.46Å; T69-W79 HydrophobicContact CG2-CE3 3.15Å; T69-W79 HydrophobicContact CG2-CG 4.12Å; T69-W79 HydrophobicContact CG2-CH2 4Å; T69-W79 HydrophobicContact CG2-CZ2 4.28Å; T69-W79 HydrophobicContact CG2-CZ3 3.43Å; T69-W79 VanDerWaalsContact CG2-CZ3 3.43Å; K77-W79 HydrophobicContact CD-CZ2 3.8Å; K77-W79 VanDerWaalsContact NZ-CH2 3.27Å
80F94.1Very high91.6Very high1 Ų152.9 Ų52.90%0.00428%0.278CS..EExtended strand (participates in β ladder)trans-118.8134.4175.3-58.6-82.7000109.7T13 Y14 L27 F36 S67 I68 I70 H78 L83T13-F80 CarbonylContact O-C 3.47Å; T13-F80 VanDerWaalsContact O-CA 3.31Å; T13-F80 WeakPolarHBondContact O-CA 3.49Å; Y14-F80 AromaticContact CD2-CD1 3.88Å; Y14-F80 HydrophobicContact CD2-CD1 3.88Å; Y14-F80 AromaticContact CD2-CE1 3.45Å; Y14-F80 HydrophobicContact CD2-CE1 3.45Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.45Å; Y14-F80 AromaticContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CE2-CE1 4.17Å; Y14-F80 HydrophobicContact CE2-CZ 4.09Å; Y14-F80 HydrophobicContact CG-CE1 4.26Å; L27-F80 HydrophobicContact CD1-CD1 4.42Å; L27-F80 HydrophobicContact CD1-CE1 3.92Å; L27-F80 HydrophobicContact CD1-CZ 4.17Å; L27-F80 HydrophobicContact CD2-CD1 4.39Å; F36-F80 HydrophobicContact CB-CE1 4.05Å; F36-F80 HydrophobicContact CD2-CD1 4.31Å; F36-F80 HydrophobicContact CD2-CE1 4.04Å; F36-F80 HydrophobicContact CG-CE1 4.24Å; S67-F80 CarbonylContact C-O 3.54Å; S67-F80 WeakPolarHBondContact CA-O 3.48Å; S67-F80 WeakPolarHBondContact CB-O 3.47Å; I68-F80 PolarHBondContact N-O 3.49Å; I68-F80 PolarHBondContact O-N 3.3Å; I70-F80 HydrophobicContact CB-CE2 4.48Å; I70-F80 HydrophobicContact CD1-CD2 4.15Å; I70-F80 HydrophobicContact CD1-CE2 3.81Å; I70-F80 HydrophobicContact CG1-CD2 4.3Å; I70-F80 HydrophobicContact CG1-CE2 4.14Å; H78-F80 HydrophobicContact CB-CE2 3.68Å; H78-F80 HydrophobicContact CB-CZ 4.13Å; F80-L83 HydrophobicContact CB-CD1 4.28Å; F80-L83 HydrophobicContact CB-CD2 4.33Å
81S92.9Very high91.6Very high2 Ų253.7 Ų53.71%0.01428%0.282CS..EExtended strand (participates in β ladder)trans-136.5174.7-179.7-164.90000111.3C12 T13 W22 F65 L83C12-S81 WeakPolarHBondContact CB-O 3.48Å; T13-S81 PolarHBondContact N-O 2.93Å; T13-S81 PolarHBondContact O-N 3.24Å; T13-S81 PolarHBondContact OG1-O 2.89Å; W22-S81 VanDerWaalsContact CZ3-CB 3.44Å; F65-S81 WeakPolarHBondContact CB-OG 3.42Å; S81-L83 PolarHBondContact O-N 3.47Å; S81-L83 VanDerWaalsContact O-N 3.07Å
82S90.6Very high91.5Very high58 Ų5852.5 Ų52.541%0.40628%0.277SS..SBendtrans51.435.1-179.6-59.20000113.9R84S82-R84 PolarHBondContact O-N 3.35Å
83L91.3Very high91.6Very high7 Ų750.6 Ų50.64%0.03727%0.268CS..  trans-70.5123.4-176.7-70.3149.1000111.1C12 L27 I68 F80 S81 S86 R87 V90C12-L83 HydrophobicContact CB-CD2 3.53Å; C12-L83 HydrophobicContact CB-CG 3.92Å; L27-L83 HydrophobicContact CD2-CD2 4.24Å; I68-L83 HydrophobicContact CB-CD1 3.96Å; I68-L83 HydrophobicContact CD1-CD1 3.46Å; I68-L83 VanDerWaalsContact CD1-CD1 3.46Å; I68-L83 HydrophobicContact CG1-CD1 3.48Å; I68-L83 VanDerWaalsContact CG1-CD1 3.48Å; F80-L83 HydrophobicContact CB-CD1 4.28Å; F80-L83 HydrophobicContact CB-CD2 4.33Å; S81-L83 PolarHBondContact O-N 3.47Å; S81-L83 VanDerWaalsContact O-N 3.07Å; L83-S86 CarbonylContact O-C 3.47Å; L83-S86 WeakPolarHBondContact O-CA 3.46Å; L83-R87 HydrophobicContact CD1-CG 4.29Å; L83-V90 HydrophobicContact CB-CG2 4.15Å; L83-V90 HydrophobicContact CD2-CB 4.25Å; L83-V90 HydrophobicContact CD2-CG1 3.86Å; L83-V90 HydrophobicContact CD2-CG2 4.25Å
84R89.9Confident91.9Very high164 Ų16444.3 Ų44.362%0.61924%0.24SC*.SBendtrans-108.2145.1175.2-66-169.8-81.3167.9-5.1111.4W10 P11 S82W10-R84 VanDerWaalsContact CD1-O 3.25Å; P11-R84 HydrophobicContact CG-CB 4.06Å; P11-R84 PolarHBondContact O-N 3.4Å; S82-R84 PolarHBondContact O-N 3.35Å
85P88.6Confident92.3Very high68 Ų6843.1 Ų43.144%0.44222%0.216SC..SBendcis-75.8-27.16.629.8-35.1000113.8V89P85-V89 HydrophobicContact CG-CB 4.22Å; P85-V89 HydrophobicContact CG-CG1 4Å; P85-V89 HydrophobicContact CG-CG2 4.41Å
86S89.6Confident92.8Very high32 Ų3236 Ų3622%0.22418%0.183CC..  trans-156.3155.1167.775.20000111.5L83 N88 V89 V90L83-S86 CarbonylContact O-C 3.47Å; L83-S86 WeakPolarHBondContact O-CA 3.46Å; S86-N88 PolarHBondContact O-N 2.85Å; S86-V89 PolarHBondContact O-N 2.86Å; S86-V89 VanDerWaalsContact O-N 3.16Å; S86-V89 VanDerWaalsContact OG-CG2 3.23Å; S86-V89 WeakPolarHBondContact OG-CG2 3.13Å; S86-V89 PolarHBondContact OG-N 3.29Å; S86-V90 PolarHBondContact O-N 3Å; S86-V90 VanDerWaalsContact O-N 3.14Å
87R91.6Very high93Very high49 Ų4934.4 Ų34.419%0.18517%0.169CC..Hα-helixtrans-50.6-42172.6-174.9-155.659.1-166.9-2.4112.2E59 S67 I68 L83 F91E59-R87 PolarHBondContact O-NH1 3.27Å; S67-R87 WeakPolarHBondContact O-CD 3.02Å; I68-R87 HydrophobicContact CD1-CG 4.17Å; I68-R87 HydrophobicContact CG1-CG 3.63Å; L83-R87 HydrophobicContact CD1-CG 4.29Å; R87-F91 WeakPolarHBondContact O-CB 3.31Å; R87-F91 PolarHBondContact O-N 3.06Å
88N92.1Very high93.1Very high75 Ų7532 Ų3240%0.40116%0.157SC..Hα-helixtrans-69.6-36.5-175.3-65.7-25.2000111.8S86 S92S86-N88 PolarHBondContact O-N 2.85Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.85Å
89V92.1Very high93.1Very high6 Ų637.8 Ų37.84%0.03618%0.178CC..Hα-helixtrans-65.1-53176.3172.50000110.4P85 S86 F91 S92 I93 E222 V225P85-V89 HydrophobicContact CG-CB 4.22Å; P85-V89 HydrophobicContact CG-CG1 4Å; P85-V89 HydrophobicContact CG-CG2 4.41Å; S86-V89 PolarHBondContact O-N 2.86Å; S86-V89 VanDerWaalsContact O-N 3.16Å; S86-V89 VanDerWaalsContact OG-CG2 3.23Å; S86-V89 WeakPolarHBondContact OG-CG2 3.13Å; S86-V89 PolarHBondContact OG-N 3.29Å; V89-F91 VanDerWaalsContact C-N 3.33Å; V89-F91 PolarHBondContact O-N 3.49Å; V89-S92 PolarHBondContact O-N 3.15Å; V89-I93 HydrophobicContact CG1-CD1 3.81Å; V89-I93 WeakPolarHBondContact O-CG1 3.43Å; V89-I93 PolarHBondContact O-N 2.89Å; V89-E222 WeakPolarHBondContact CG2-O 3.35Å; V89-V225 HydrophobicContact CB-CG2 4.14Å; V89-V225 HydrophobicContact CG1-CG1 4.01Å; V89-V225 HydrophobicContact CG1-CG2 4.34Å; V89-V225 HydrophobicContact CG2-CB 4.48Å; V89-V225 HydrophobicContact CG2-CG1 4.06Å; V89-V225 HydrophobicContact CG2-CG2 3.9Å
90V93.9Very high93Very high0 Ų036.4 Ų36.40%017%0.174CC..Hα-helixtrans-60.7-44.7-179.6-176.70000111.1W10 L27 I68 L83 S86 S92 I93 I94W10-V90 HydrophobicContact CB-CG2 4.16Å; W10-V90 HydrophobicContact CD2-CB 4.34Å; W10-V90 HydrophobicContact CD2-CG1 3.74Å; W10-V90 HydrophobicContact CD2-CG2 3.86Å; W10-V90 HydrophobicContact CE3-CG1 3.63Å; W10-V90 HydrophobicContact CG-CG1 4.27Å; W10-V90 HydrophobicContact CG-CG2 3.62Å; W10-V90 HydrophobicContact CH2-CG1 4.33Å; W10-V90 HydrophobicContact CZ2-CG1 4.44Å; W10-V90 HydrophobicContact CZ3-CG1 3.93Å; L27-V90 HydrophobicContact CD2-CG1 4.35Å; I68-V90 HydrophobicContact CD1-CB 4.21Å; I68-V90 HydrophobicContact CD1-CG1 4.21Å; L83-V90 HydrophobicContact CB-CG2 4.15Å; L83-V90 HydrophobicContact CD2-CB 4.25Å; L83-V90 HydrophobicContact CD2-CG1 3.86Å; L83-V90 HydrophobicContact CD2-CG2 4.25Å; S86-V90 PolarHBondContact O-N 3Å; S86-V90 VanDerWaalsContact O-N 3.14Å; V90-S92 PolarHBondContact O-N 2.91Å; V90-I93 PolarHBondContact O-N 2.85Å; V90-I94 HydrophobicContact CG1-CD1 3.59Å; V90-I94 HydrophobicContact CG1-CG1 4.22Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.42Å; V90-I94 PolarHBondContact O-N 2.8Å
91F95Very high92.7Very high17 Ų1738 Ų388%0.07518%0.182CC..Hα-helixtrans-56.8-49.8175.3175.8-88.7000112I56 K58 I68 R87 V89 I93 I94 E95I56-F91 HydrophobicContact CB-CE2 4.09Å; I56-F91 HydrophobicContact CG2-CD2 3.65Å; I56-F91 HydrophobicContact CG2-CE2 3.56Å; K58-F91 HydrophobicContact CD-CB 4.05Å; K58-F91 HydrophobicContact CD-CD1 3.82Å; K58-F91 HydrophobicContact CD-CD2 4.05Å; K58-F91 HydrophobicContact CD-CE1 4.25Å; K58-F91 HydrophobicContact CD-CE2 4.46Å; K58-F91 HydrophobicContact CD-CG 3.68Å; K58-F91 HydrophobicContact CG-CB 4.08Å; K58-F91 HydrophobicContact CG-CD1 4.24Å; K58-F91 HydrophobicContact CG-CD2 3.52Å; K58-F91 HydrophobicContact CG-CE2 3.94Å; K58-F91 HydrophobicContact CG-CG 3.67Å; K58-F91 HydrophobicContact CG-CZ 4.47Å; K58-F91 VanDerWaalsContact NZ-CE1 3.27Å; I68-F91 HydrophobicContact CD1-CB 3.71Å; I68-F91 HydrophobicContact CG1-CB 4.37Å; R87-F91 WeakPolarHBondContact O-CB 3.31Å; R87-F91 PolarHBondContact O-N 3.06Å; V89-F91 VanDerWaalsContact C-N 3.33Å; V89-F91 PolarHBondContact O-N 3.49Å; F91-I93 VanDerWaalsContact C-N 3.31Å; F91-I93 PolarHBondContact O-N 2.72Å; F91-I94 PolarHBondContact O-N 3.3Å; F91-E95 HydrophobicContact CD1-CB 4.47Å; F91-E95 HydrophobicContact CE1-CB 4.22Å; F91-E95 HydrophobicContact CE1-CG 4.43Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.49Å; F91-E95 HydrophobicContact CZ-CB 4.49Å; F91-E95 WeakPolarHBondContact O-CB 3.48Å; F91-E95 PolarHBondContact O-N 2.84Å
92S94.6Very high92.4Very high17 Ų1741.7 Ų41.712%0.11920%0.202CC..Hα-helixtrans-66.7-35.8-173.9-52.90000111.8N88 V89 V90 H96N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 2.94Å; N88-S92 PolarHBondContact O-OG 2.85Å; V89-S92 PolarHBondContact O-N 3.15Å; V90-S92 PolarHBondContact O-N 2.91Å; S92-H96 WeakPolarHBondContact O-CB 3.49Å; S92-H96 PolarHBondContact O-N 3.24Å
93I95.1Very high92.1Very high2 Ų245.4 Ų45.41%0.0122%0.216CC..Hα-helixtrans-69.1-51.1175.9-62.6168.6000110.1W10 L29 V89 V90 F91 E95 H96 F97 V216 I283W10-I93 HydrophobicContact CH2-CB 4.21Å; W10-I93 HydrophobicContact CH2-CG2 3.86Å; W10-I93 HydrophobicContact CZ2-CB 3.97Å; W10-I93 HydrophobicContact CZ2-CD1 3.85Å; W10-I93 HydrophobicContact CZ2-CG2 3.8Å; L29-I93 HydrophobicContact CD2-CG2 3.91Å; V89-I93 HydrophobicContact CG1-CD1 3.81Å; V89-I93 WeakPolarHBondContact O-CG1 3.43Å; V89-I93 PolarHBondContact O-N 2.89Å; V90-I93 PolarHBondContact O-N 2.85Å; F91-I93 VanDerWaalsContact C-N 3.31Å; F91-I93 PolarHBondContact O-N 2.72Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 2.98Å; I93-H96 WeakPolarHBondContact O-CB 3.33Å; I93-H96 PolarHBondContact O-N 2.76Å; I93-F97 HydrophobicContact CG2-CD2 4.09Å; I93-F97 HydrophobicContact CG2-CE2 4.01Å; I93-F97 WeakPolarHBondContact O-CD2 3.2Å; I93-F97 PolarHBondContact O-N 3.12Å; I93-V216 HydrophobicContact CG1-CG1 4.16Å; I93-I283 HydrophobicContact CD1-CD1 3.76Å; I93-I283 HydrophobicContact CG1-CD1 4.21Å; I93-I283 HydrophobicContact CG2-CG2 4.44Å
94I95.6Very high91.2Very high0 Ų047.7 Ų47.70%023%0.233CC..Hα-helixtrans-60-44.9179.4-64.5174.2000110.8W10 L27 L34 I56 V90 F91 H96 F97 W98W10-I94 HydrophobicContact CH2-CG1 3.94Å; W10-I94 HydrophobicContact CZ3-CD1 4.02Å; W10-I94 HydrophobicContact CZ3-CG1 3.83Å; L27-I94 HydrophobicContact CD2-CD1 3.88Å; L34-I94 HydrophobicContact CD1-CD1 4.28Å; L34-I94 HydrophobicContact CD1-CG2 3.75Å; L34-I94 HydrophobicContact CD2-CD1 3.99Å; L34-I94 HydrophobicContact CD2-CG1 4.17Å; I56-I94 HydrophobicContact CD1-CG2 3.66Å; V90-I94 HydrophobicContact CG1-CD1 3.59Å; V90-I94 HydrophobicContact CG1-CG1 4.22Å; V90-I94 VanDerWaalsContact O-CG1 3.28Å; V90-I94 WeakPolarHBondContact O-CG1 3.42Å; V90-I94 PolarHBondContact O-N 2.8Å; F91-I94 PolarHBondContact O-N 3.3Å; I94-H96 VanDerWaalsContact C-N 3.29Å; I94-H96 PolarHBondContact O-N 3.36Å; I94-F97 PolarHBondContact O-N 2.98Å; I94-W98 WeakPolarHBondContact O-CB 3.25Å; I94-W98 PolarHBondContact O-N 2.88Å
95E95.2Very high89.8Confident47 Ų4744.2 Ų44.222%0.2222%0.224CC..Hα-helixtrans-57.8-43.2177.7-176.2-171.7-168.400111.1F91 I93 W98 R99F91-E95 HydrophobicContact CD1-CB 4.47Å; F91-E95 HydrophobicContact CE1-CB 4.22Å; F91-E95 HydrophobicContact CE1-CG 4.43Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.49Å; F91-E95 HydrophobicContact CZ-CB 4.49Å; F91-E95 WeakPolarHBondContact O-CB 3.48Å; F91-E95 PolarHBondContact O-N 2.84Å; I93-E95 VanDerWaalsContact C-N 3.31Å; I93-E95 PolarHBondContact O-N 2.98Å; E95-W98 PolarHBondContact O-N 3.1Å; E95-R99 VanDerWaalsContact CG-CD 3.49Å; E95-R99 HydrophobicContact CG-CG 4.09Å; E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 VanDerWaalsContact O-CG 3.26Å; E95-R99 WeakPolarHBondContact O-CG 3.49Å; E95-R99 PolarHBondContact O-N 3.46Å; E95-R99 WeakPolarHBondContact OE1-CD 3.46Å; E95-R99 IonicContact OE1-CZ 2.94Å; E95-R99 IonicContact OE1-NH1 3.54Å; E95-R99 PolarHBondContact OE1-NH1 3.11Å
96H95.4Very high87.6Confident19 Ų1946.6 Ų46.69%0.08824%0.239CC..Hα-helixtrans-56.3-53.7176.9-178.378.9000111.7S92 I93 I94 W98 R99 E100 P214 V216 S284 A285S92-H96 WeakPolarHBondContact O-CB 3.49Å; S92-H96 PolarHBondContact O-N 3.24Å; I93-H96 WeakPolarHBondContact O-CB 3.33Å; I93-H96 PolarHBondContact O-N 2.76Å; I94-H96 VanDerWaalsContact C-N 3.29Å; I94-H96 PolarHBondContact O-N 3.36Å; H96-W98 PolarHBondContact O-N 3.16Å; H96-R99 PolarHBondContact O-N 3.48Å; H96-E100 WeakPolarHBondContact O-CB 3.25Å; H96-E100 VanDerWaalsContact O-CG 3.29Å; H96-E100 WeakPolarHBondContact O-CG 3.11Å; H96-E100 PolarHBondContact O-N 3.38Å; H96-P214 VanDerWaalsContact CE1-C 3.46Å; H96-P214 PolarHBondContact CE1-O 3.28Å; H96-P214 VanDerWaalsContact CE1-O 3.24Å; H96-V216 HydrophobicContact CB-CG2 3.57Å; H96-S284 WeakPolarHBondContact NE2-CA 3.21Å; H96-S284 PolarHBondContact NE2-OG 2.83Å; H96-A285 PolarHBondContact NE2-N 3.31Å
97F95Very high85.5Confident4 Ų447.8 Ų47.82%0.01826%0.257CS..Hα-helixtrans-65.8-38.9-178.9-78.8-89.9000112.8I7 L29 L50 I93 I94 L101 Y264 I283 A285I7-F97 HydrophobicContact CD1-CD1 3.66Å; I7-F97 HydrophobicContact CD1-CE1 3.28Å; I7-F97 HydrophobicContact CD1-CE2 4.36Å; I7-F97 HydrophobicContact CD1-CG 4.36Å; I7-F97 HydrophobicContact CD1-CZ 3.69Å; I7-F97 HydrophobicContact CG1-CE1 4.43Å; I7-F97 HydrophobicContact CG2-CE1 4.49Å; I7-F97 HydrophobicContact CG2-CE2 4.07Å; I7-F97 HydrophobicContact CG2-CZ 3.78Å; L29-F97 HydrophobicContact CD2-CB 4.38Å; L29-F97 HydrophobicContact CD2-CD2 3.66Å; L29-F97 HydrophobicContact CD2-CE2 4.17Å; L29-F97 HydrophobicContact CD2-CG 4.07Å; L50-F97 HydrophobicContact CD1-CB 4.07Å; I93-F97 HydrophobicContact CG2-CD2 4.09Å; I93-F97 HydrophobicContact CG2-CE2 4.01Å; I93-F97 WeakPolarHBondContact O-CD2 3.2Å; I93-F97 PolarHBondContact O-N 3.12Å; I94-F97 PolarHBondContact O-N 2.98Å; F97-L101 WeakPolarHBondContact O-CB 3.23Å; F97-L101 PolarHBondContact O-N 3.35Å; F97-Y264 AromaticContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CE1 4.45Å; F97-Y264 HydrophobicContact CE1-CG 4.29Å; F97-Y264 HydrophobicContact CZ-CD1 4.29Å; F97-Y264 HydrophobicContact CZ-CG 4.3Å; F97-I283 HydrophobicContact CE2-CG2 3.76Å; F97-I283 HydrophobicContact CZ-CG2 4.1Å; F97-A285 HydrophobicContact CD1-CB 3.57Å; F97-A285 HydrophobicContact CE1-CB 3.62Å; F97-A285 HydrophobicContact CG-CB 4.32Å; F97-A285 HydrophobicContact CZ-CB 4.41Å
98W94.6Very high83Confident35 Ų3550.3 Ų50.313%0.13329%0.288CS..Hα-helixtrans-63.9-48.7176.417354.5000111.9I53 V54 I56 I94 E95 H96 E100 L101 L102I53-W98 HydrophobicContact CB-CG 4.5Å; I53-W98 HydrophobicContact CG2-CD2 4.22Å; I53-W98 HydrophobicContact CG2-CG 4.47Å; I53-W98 HydrophobicContact CG2-CZ2 4.1Å; I53-W98 PolarHBondContact O-NE1 2.81Å; I53-W98 VanDerWaalsContact O-NE1 3.14Å; V54-W98 WeakPolarHBondContact O-CZ2 3.5Å; I56-W98 HydrophobicContact CD1-CB 4.18Å; I56-W98 HydrophobicContact CD1-CD2 3.96Å; I56-W98 HydrophobicContact CD1-CE3 3.66Å; I56-W98 HydrophobicContact CD1-CG 4.21Å; I56-W98 HydrophobicContact CD1-CZ3 4.34Å; I56-W98 HydrophobicContact CG1-CD2 4.37Å; I56-W98 HydrophobicContact CG1-CE3 3.98Å; I56-W98 HydrophobicContact CG1-CZ3 4.18Å; I94-W98 WeakPolarHBondContact O-CB 3.25Å; I94-W98 PolarHBondContact O-N 2.88Å; E95-W98 PolarHBondContact O-N 3.1Å; H96-W98 PolarHBondContact O-N 3.16Å; W98-E100 PolarHBondContact O-N 2.65Å; W98-L101 WeakPolarHBondContact O-CB 3.4Å; W98-L101 PolarHBondContact O-N 3.19Å; W98-L102 HydrophobicContact CD2-CD1 4.22Å; W98-L102 HydrophobicContact CH2-CD1 4.48Å; W98-L102 HydrophobicContact CZ2-CD1 3.85Å; W98-L102 WeakPolarHBondContact O-CG 3.5Å; W98-L102 PolarHBondContact O-N 3.22Å
99R93.6Very high80.7Confident138 Ų13853 Ų5352%0.52131%0.307SS..Hα-helixtrans-64.6-42.2180-70.2176.178.5167.40.4111.7E95 H96 L101 L102 L103E95-R99 VanDerWaalsContact CG-CD 3.49Å; E95-R99 HydrophobicContact CG-CG 4.09Å; E95-R99 WeakPolarHBondContact O-CB 3.49Å; E95-R99 VanDerWaalsContact O-CG 3.26Å; E95-R99 WeakPolarHBondContact O-CG 3.49Å; E95-R99 PolarHBondContact O-N 3.46Å; E95-R99 WeakPolarHBondContact OE1-CD 3.46Å; E95-R99 IonicContact OE1-CZ 2.94Å; E95-R99 IonicContact OE1-NH1 3.54Å; E95-R99 PolarHBondContact OE1-NH1 3.11Å; H96-R99 PolarHBondContact O-N 3.48Å; R99-L101 VanDerWaalsContact C-N 3.28Å; R99-L101 PolarHBondContact O-N 3.44Å; R99-L102 WeakPolarHBondContact O-CB 3.41Å; R99-L102 PolarHBondContact O-N 3.38Å; R99-L103 WeakPolarHBondContact O-CG 3.46Å; R99-L103 PolarHBondContact O-N 3.07Å
100E91.6Very high78.3Confident24 Ų2456.3 Ų56.311%0.11234%0.335CS..Hα-helixtrans-63.2-35.2175.4-72.4-55.411800112.4H96 W98 L103 S104 P214 A285H96-E100 WeakPolarHBondContact O-CB 3.25Å; H96-E100 VanDerWaalsContact O-CG 3.29Å; H96-E100 WeakPolarHBondContact O-CG 3.11Å; H96-E100 PolarHBondContact O-N 3.38Å; W98-E100 PolarHBondContact O-N 2.65Å; E100-L103 PolarHBondContact O-N 3.06Å; E100-S104 VanDerWaalsContact O-CB 3.25Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.44Å; E100-S104 PolarHBondContact O-OG 2.77Å; E100-P214 HydrophobicContact CG-CG 4.19Å; E100-P214 WeakPolarHBondContact OE1-CG 3.29Å; E100-P214 WeakPolarHBondContact OE2-CG 3.39Å; E100-A285 HydrophobicContact CB-CB 3.79Å; E100-A285 HydrophobicContact CG-CB 4.05Å
101L88.5Confident75.6Confident33 Ų3364.5 Ų64.517%0.17338%0.379CS..Hα-helixtrans-66.5-41.2173.4-17468.8000111.7L32 L50 F97 W98 R99 L103 S104 Q105L32-L101 HydrophobicContact CD2-CD1 3.94Å; L50-L101 HydrophobicContact CB-CD2 3.56Å; F97-L101 WeakPolarHBondContact O-CB 3.23Å; F97-L101 PolarHBondContact O-N 3.35Å; W98-L101 WeakPolarHBondContact O-CB 3.4Å; W98-L101 PolarHBondContact O-N 3.19Å; R99-L101 VanDerWaalsContact C-N 3.28Å; R99-L101 PolarHBondContact O-N 3.44Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.42Å; L101-S104 PolarHBondContact O-N 3.22Å; L101-Q105 WeakPolarHBondContact O-CG 3.49Å; L101-Q105 PolarHBondContact O-N 3.1Å; L101-Q105 VanDerWaalsContact O-N 3.15Å
102L86.6Confident72.8Confident81 Ų8168 Ų6842%0.42441%0.411SS..Hα-helixtrans-61-39.3175-66.2177000111.8W98 R99W98-L102 HydrophobicContact CD2-CD1 4.22Å; W98-L102 HydrophobicContact CH2-CD1 4.48Å; W98-L102 HydrophobicContact CZ2-CD1 3.85Å; W98-L102 WeakPolarHBondContact O-CG 3.5Å; W98-L102 PolarHBondContact O-N 3.22Å; R99-L102 WeakPolarHBondContact O-CB 3.41Å; R99-L102 PolarHBondContact O-N 3.38Å
103L83.6Confident70.3Confident135 Ų13572.2 Ų72.271%0.70744%0.44SS*.Hα-helixtrans-73.6-27.1176.7-64.9174000112.9R99 E100 L101R99-L103 WeakPolarHBondContact O-CG 3.46Å; R99-L103 PolarHBondContact O-N 3.07Å; E100-L103 PolarHBondContact O-N 3.06Å; L101-L103 VanDerWaalsContact C-N 3.29Å; L101-L103 PolarHBondContact O-N 3.42Å
104S72.9Confident68.1Low56 Ų5677.6 Ų77.639%0.39247%0.473SS..Hα-helixtrans-88.3-5.7-179.3-58.50000113.9E100 L101 P106E100-S104 VanDerWaalsContact O-CB 3.25Å; E100-S104 WeakPolarHBondContact O-CB 3.49Å; E100-S104 PolarHBondContact O-N 3.44Å; E100-S104 PolarHBondContact O-OG 2.77Å; L101-S104 PolarHBondContact O-N 3.22Å; S104-P106 VanDerWaalsContact O-CD 3.23Å; S104-P106 WeakPolarHBondContact O-CD 3.48Å
105Q59.6Low65.6Low90 Ų9083.7 Ų83.742%0.42151%0.512SS..  trans-65.9121.4178.4-84.5-179.548.500110.9L101 G107L101-Q105 WeakPolarHBondContact O-CG 3.49Å; L101-Q105 PolarHBondContact O-N 3.1Å; L101-Q105 VanDerWaalsContact O-N 3.15Å; Q105-G107 PolarHBondContact O-N 3.33Å
106P42.9Very low63.7Low119 Ų11990.1 Ų90.177%0.77354%0.535SS*.G310 helixtrans-66.23.9174.8-20.333.8000114.8S104 A108S104-P106 VanDerWaalsContact O-CD 3.23Å; S104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-A108 PolarHBondContact O-N 3.11Å
107G45.9Very low62.4Low57 Ų5793.8 Ų93.859%0.58856%0.559SS**G310 helixtrans-90.48.8-164.800000116.7Q105 V109Q105-G107 PolarHBondContact O-N 3.33Å; G107-V109 VanDerWaalsContact C-N 3.34Å
108A39Very low60.9Low102 Ų102103.6 Ų103.684%0.84360%0.596SS**G310 helixtrans-89-2.1169.500000113.2P106P106-A108 PolarHBondContact O-N 3.11Å
109V43.6Very low59.8Low130 Ų130103.9 Ų103.979%0.78861%0.609SS**SBendtrans-137.748.5175-164.90000110G107G107-V109 VanDerWaalsContact C-N 3.34Å
110A41.9Very low58.6Low77 Ų77101.9 Ų101.964%0.63661%0.606SS**  trans-139.559.8175.300000110.5
111D38.2Very low57.8Low172 Ų172106.2 Ų106.292%0.9263%0.626SS**SBendtrans-150.872.7150.6-135.72.9000109.6
112A36.6Very low57.2Low91 Ų91109.2 Ų109.275%0.75264%0.642SS**  trans-165.2111.9155.500000109.5
113S41Very low56.8Low105 Ų105109.9 Ų109.973%0.73465%0.649SS**  trans-44.2149162.154.10000114.5
114V48.8Very low56.5Low115 Ų115105.5 Ų105.570%0.69764%0.637SS**SBendtrans79.8132.2166.7-169.40000114.6R116V114-R116 VanDerWaalsContact C-N 3.27Å; V114-R116 PolarHBondContact O-N 3.18Å
115P44.2Very low56.9Low127 Ų127108.1 Ų108.183%0.82565%0.646SS**  trans-69.886.5178.129-32.9000109.7T117P115-T117 PolarHBondContact O-N 2.9Å
116R54.1Low57.8Low182 Ų182110.4 Ų110.469%0.68766%0.659SS**  trans-71.8124.9166.2-73-163.4144.6134.62.2108V114 E120V114-R116 VanDerWaalsContact C-N 3.27Å; V114-R116 PolarHBondContact O-N 3.18Å; R116-E120 HydrophobicContact CB-CB 4.17Å; R116-E120 WeakPolarHBondContact CB-OE2 3.45Å; R116-E120 WeakPolarHBondContact CD-OE2 3.42Å; R116-E120 WeakPolarHBondContact CG-OE2 3.38Å; R116-E120 IonicContact NE-OE2 2.89Å; R116-E120 PolarHBondContact NE-OE2 3.49Å
117T69.3Low59.6Low97 Ų97107.4 Ų107.460%0.59564%0.644SS**  trans-60.4143.7176.863.70000108.9P115 G119 E120P115-T117 PolarHBondContact O-N 2.9Å; T117-G119 PolarHBondContact O-N 3.49Å; T117-E120 PolarHBondContact O-N 2.8Å
118R61.8Low61.1Low209 Ų209106.2 Ų106.279%0.78963%0.632SS**Hα-helixtrans-45.2-23.6-178.6-167.4178.1-179.4-179.50.4114.8L122R118-L122 WeakPolarHBondContact O-CG 3.5Å; R118-L122 PolarHBondContact O-N 3.14Å
119G71.5Confident63.2Low41 Ų41105.1 Ų105.142%0.42362%0.618SS.*Hα-helixtrans-71.5-35.2173.900000114.7T117 T123T117-G119 PolarHBondContact O-N 3.49Å; G119-T123 WeakPolarHBondContact O-CB 3.42Å; G119-T123 PolarHBondContact O-N 3.03Å; G119-T123 PolarHBondContact O-OG1 3.48Å
120E70Confident65.3Low97 Ų97105.5 Ų105.545%0.45361%0.611SS.*Hα-helixtrans-70.3-35.8176.3-70.5-175.6-171.100111.6R116 T117 T123 G124R116-E120 HydrophobicContact CB-CB 4.17Å; R116-E120 WeakPolarHBondContact CB-OE2 3.45Å; R116-E120 WeakPolarHBondContact CD-OE2 3.42Å; R116-E120 WeakPolarHBondContact CG-OE2 3.38Å; R116-E120 IonicContact NE-OE2 2.89Å; R116-E120 PolarHBondContact NE-OE2 3.49Å; T117-E120 PolarHBondContact O-N 2.8Å; E120-T123 PolarHBondContact O-N 3.14Å; E120-G124 PolarHBondContact O-N 2.85Å
121E74.5Confident67.5Low115 Ų115108.1 Ų108.154%0.53761%0.608SS.*Hα-helixtrans-66.5-46.1175-169.4-177.4178.700111.3T123 G124 L125E121-T123 VanDerWaalsContact C-N 3.33Å; E121-T123 PolarHBondContact O-N 2.97Å; E121-G124 PolarHBondContact O-N 3.09Å; E121-L125 HydrophobicContact CG-CD1 4.41Å; E121-L125 WeakPolarHBondContact O-CB 3.26Å; E121-L125 VanDerWaalsContact O-CG 3.31Å; E121-L125 WeakPolarHBondContact O-CG 3.48Å; E121-L125 PolarHBondContact O-N 3.32Å
122L74.9Confident69.9Low96 Ų96109.1 Ų109.150%0.50360%0.599SS.*Hα-helixtrans-62.2-40.7175.7-74.9168.4000112.1R118 L125 M126R118-L122 WeakPolarHBondContact O-CG 3.5Å; R118-L122 PolarHBondContact O-N 3.14Å; L122-L125 PolarHBondContact O-N 3.35Å; L122-M126 WeakPolarHBondContact O-CB 3.49Å; L122-M126 WeakPolarHBondContact O-CG 3.4Å; L122-M126 PolarHBondContact O-N 3.49Å
123T77.9Confident72.3Confident94 Ų94110.7 Ų110.758%0.57759%0.594SS**Hα-helixtrans-67-39.7176.5-53.10000111.1G119 E120 E121 M126 A127G119-T123 WeakPolarHBondContact O-CB 3.42Å; G119-T123 PolarHBondContact O-N 3.03Å; G119-T123 PolarHBondContact O-OG1 3.48Å; E120-T123 PolarHBondContact O-N 3.14Å; E121-T123 VanDerWaalsContact C-N 3.33Å; E121-T123 PolarHBondContact O-N 2.97Å; T123-M126 PolarHBondContact O-N 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.24Å; T123-A127 PolarHBondContact O-N 3.01Å
124G78.2Confident74.7Confident44 Ų44110 Ų11045%0.45458%0.579SS.*Hα-helixtrans-63.5-41.5174.100000112.9E120 E121 G128E120-G124 PolarHBondContact O-N 2.85Å; E121-G124 PolarHBondContact O-N 3.09Å; G124-G128 PolarHBondContact O-N 2.87Å
125L80.1Confident76.9Confident111 Ų111107.5 Ų107.558%0.58156%0.562SS**Hα-helixtrans-66.4-40.8175-71.4173.7000111.9E121 L122 G128 S129E121-L125 HydrophobicContact CG-CD1 4.41Å; E121-L125 WeakPolarHBondContact O-CB 3.26Å; E121-L125 VanDerWaalsContact O-CG 3.31Å; E121-L125 WeakPolarHBondContact O-CG 3.48Å; E121-L125 PolarHBondContact O-N 3.32Å; L122-L125 PolarHBondContact O-N 3.35Å; L125-G128 PolarHBondContact O-N 3.29Å; L125-S129 VanDerWaalsContact O-CB 3.29Å; L125-S129 WeakPolarHBondContact O-CB 3.39Å; L125-S129 PolarHBondContact O-N 3.21Å
126M78.9Confident79Confident138 Ų138105 Ų10568%0.6854%0.544SS*.Hα-helixtrans-64.1-46.4175-76.3-177.317600111.8L122 T123 G128 S129 Q130L122-M126 WeakPolarHBondContact O-CB 3.49Å; L122-M126 WeakPolarHBondContact O-CG 3.4Å; L122-M126 PolarHBondContact O-N 3.49Å; T123-M126 PolarHBondContact O-N 3.26Å; M126-G128 VanDerWaalsContact C-N 3.35Å; M126-G128 PolarHBondContact O-N 2.79Å; M126-S129 PolarHBondContact O-N 2.9Å; M126-Q130 WeakPolarHBondContact O-CB 3.27Å; M126-Q130 PolarHBondContact O-N 3.45Å
127A81.6Confident80.7Confident55 Ų5599 Ų9946%0.45553%0.533SS..Hα-helixtrans-63.3-40.817700000111.9T123 Q130 K131T123-A127 WeakPolarHBondContact O-CB 3.24Å; T123-A127 PolarHBondContact O-N 3.01Å; A127-Q130 PolarHBondContact O-N 3.39Å; A127-K131 WeakPolarHBondContact O-CB 3.38Å; A127-K131 PolarHBondContact O-N 3Å
128G77.8Confident81.7Confident33 Ų33100.9 Ų100.934%0.3453%0.53SS..Hα-helixtrans-64.7-41174.800000112.8G124 L125 M126 R132G124-G128 PolarHBondContact O-N 2.87Å; L125-G128 PolarHBondContact O-N 3.29Å; M126-G128 VanDerWaalsContact C-N 3.35Å; M126-G128 PolarHBondContact O-N 2.79Å; G128-R132 WeakPolarHBondContact O-CB 3.33Å; G128-R132 VanDerWaalsContact O-CG 3.26Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.2Å
129S83.1Confident83.2Confident79 Ų7994.9 Ų94.955%0.55252%0.516SS*.Hα-helixtrans-64.4-45.8175.5-171.80000111.7L125 M126 K131 R132 L133L125-S129 VanDerWaalsContact O-CB 3.29Å; L125-S129 WeakPolarHBondContact O-CB 3.39Å; L125-S129 PolarHBondContact O-N 3.21Å; M126-S129 PolarHBondContact O-N 2.9Å; S129-K131 PolarHBondContact O-N 3.4Å; S129-R132 PolarHBondContact O-N 3.01Å; S129-L133 WeakPolarHBondContact O-CB 3.42Å; S129-L133 PolarHBondContact O-N 3.24Å
130Q86.6Confident84Confident137 Ų13797.7 Ų97.764%0.6452%0.521SS*.Hα-helixtrans-59.7-47.1176.9-179177.5-8.100111.6M126 A127 R132 L133 E134M126-Q130 WeakPolarHBondContact O-CB 3.27Å; M126-Q130 PolarHBondContact O-N 3.45Å; A127-Q130 PolarHBondContact O-N 3.39Å; Q130-R132 PolarHBondContact O-N 2.99Å; Q130-L133 PolarHBondContact O-N 3.17Å; Q130-E134 WeakPolarHBondContact O-CB 3.29Å; Q130-E134 PolarHBondContact O-N 2.91Å
131K89.3Confident84.9Confident133 Ų13399 Ų9958%0.57853%0.527SS*.Hα-helixtrans-61.4-44.1177.8-173.7-179.6178.4-1780111.9A127 S129 L133 E134 D135A127-K131 WeakPolarHBondContact O-CB 3.38Å; A127-K131 PolarHBondContact O-N 3Å; S129-K131 PolarHBondContact O-N 3.4Å; K131-L133 VanDerWaalsContact C-N 3.34Å; K131-L133 PolarHBondContact O-N 2.6Å; K131-E134 PolarHBondContact O-N 2.92Å; K131-D135 WeakPolarHBondContact O-CB 3.44Å; K131-D135 PolarHBondContact O-N 2.88Å
132R88Confident85.8Confident192 Ų19298.3 Ų98.373%0.72552%0.523SS*.Hα-helixtrans-64.2-38.1177.5-74.6176.765.8-169-0.5112.4G128 S129 Q130 T136G128-R132 WeakPolarHBondContact O-CB 3.33Å; G128-R132 VanDerWaalsContact O-CG 3.26Å; G128-R132 WeakPolarHBondContact O-CG 3.41Å; G128-R132 PolarHBondContact O-N 3.2Å; S129-R132 PolarHBondContact O-N 3.01Å; Q130-R132 PolarHBondContact O-N 2.99Å; R132-T136 WeakPolarHBondContact O-CB 3.33Å; R132-T136 PolarHBondContact O-N 2.99Å; R132-T136 PolarHBondContact O-OG1 2.74Å
133L87.4Confident86.4Confident124 Ų12498.7 Ų98.765%0.64952%0.523SS*.Hα-helixtrans-66.9-42.2175.3-17764.6000111S129 Q130 K131 T136 A137S129-L133 WeakPolarHBondContact O-CB 3.42Å; S129-L133 PolarHBondContact O-N 3.24Å; Q130-L133 PolarHBondContact O-N 3.17Å; K131-L133 VanDerWaalsContact C-N 3.34Å; K131-L133 PolarHBondContact O-N 2.6Å; L133-T136 PolarHBondContact O-N 3.09Å; L133-A137 WeakPolarHBondContact O-CB 3.46Å; L133-A137 PolarHBondContact O-N 3.05Å
134E91.4Very high86.7Confident90 Ų9095.6 Ų95.642%0.42151%0.509SS..Hα-helixtrans-64.1-44.8177.1-169-177.8174.200112Q130 K131 T136 A137 R138Q130-E134 WeakPolarHBondContact O-CB 3.29Å; Q130-E134 PolarHBondContact O-N 2.91Å; K131-E134 PolarHBondContact O-N 2.92Å; E134-T136 VanDerWaalsContact C-N 3.28Å; E134-T136 PolarHBondContact O-N 3.18Å; E134-A137 WeakPolarHBondContact O-CB 3.39Å; E134-A137 PolarHBondContact O-N 3.26Å; E134-R138 VanDerWaalsContact CD-NH2 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.46Å; E134-R138 PolarHBondContact O-N 3.26Å; E134-R138 IonicContact OE1-CZ 3.65Å; E134-R138 IonicContact OE1-NE 3.08Å; E134-R138 IonicContact OE1-NH2 2.66Å; E134-R138 PolarHBondContact OE1-NH2 2.92Å; E134-R138 IonicContact OE2-NH2 3.91Å
135D93.6Very high87.1Confident64 Ų6498 Ų9834%0.34251%0.509SS..Hα-helixtrans-63-38.7176.1-73.2-25000111K131 R138 V139K131-D135 WeakPolarHBondContact O-CB 3.44Å; K131-D135 PolarHBondContact O-N 2.88Å; D135-R138 PolarHBondContact O-N 3.48Å; D135-R138 IonicContact OD1-CZ 3.49Å; D135-R138 IonicContact OD1-NH1 3.81Å; D135-R138 PolarHBondContact OD1-NH1 3.23Å; D135-V139 WeakPolarHBondContact O-CG2 3.42Å; D135-V139 PolarHBondContact O-N 2.81Å
136T89.4Confident87.4Confident74 Ų7498 Ų9845%0.45451%0.506SS..Hα-helixtrans-65.9-40.7174.6-57.10000111.2R132 L133 E134 R138 V139 L140R132-T136 WeakPolarHBondContact O-CB 3.33Å; R132-T136 PolarHBondContact O-N 2.99Å; R132-T136 PolarHBondContact O-OG1 2.74Å; L133-T136 PolarHBondContact O-N 3.09Å; E134-T136 VanDerWaalsContact C-N 3.28Å; E134-T136 PolarHBondContact O-N 3.18Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 3.29Å; T136-V139 PolarHBondContact O-N 2.83Å; T136-L140 HydrophobicContact CG2-CD1 4.05Å; T136-L140 HydrophobicContact CG2-CG 4.35Å; T136-L140 WeakPolarHBondContact O-CB 3.41Å; T136-L140 VanDerWaalsContact O-CG 3.32Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 3.38Å
137A88.8Confident87.4Confident55 Ų5597.3 Ų97.346%0.45550%0.504SS..Hα-helixtrans-62.7-38.7175.700000111.7L133 E134 H141L133-A137 WeakPolarHBondContact O-CB 3.46Å; L133-A137 PolarHBondContact O-N 3.05Å; E134-A137 WeakPolarHBondContact O-CB 3.39Å; E134-A137 PolarHBondContact O-N 3.26Å; A137-H141 VanDerWaalsContact O-CB 3.25Å; A137-H141 WeakPolarHBondContact O-CB 3.48Å; A137-H141 PolarHBondContact O-N 3.26Å
138R90.9Very high87.6Confident138 Ų13898.5 Ų98.552%0.52150%0.503SS..Hα-helixtrans-66-43174.4-68.3175.4-167.9153.7-5.6112.1E134 D135 T136 H141 H142E134-R138 VanDerWaalsContact CD-NH2 3.28Å; E134-R138 WeakPolarHBondContact O-CG 3.46Å; E134-R138 PolarHBondContact O-N 3.26Å; E134-R138 IonicContact OE1-CZ 3.65Å; E134-R138 IonicContact OE1-NE 3.08Å; E134-R138 IonicContact OE1-NH2 2.66Å; E134-R138 PolarHBondContact OE1-NH2 2.92Å; E134-R138 IonicContact OE2-NH2 3.91Å; D135-R138 PolarHBondContact O-N 3.48Å; D135-R138 IonicContact OD1-CZ 3.49Å; D135-R138 IonicContact OD1-NH1 3.81Å; D135-R138 PolarHBondContact OD1-NH1 3.23Å; T136-R138 VanDerWaalsContact C-N 3.33Å; T136-R138 PolarHBondContact O-N 3.29Å; R138-H141 PolarHBondContact O-N 2.65Å; R138-H142 WeakPolarHBondContact O-CB 3.5Å; R138-H142 PolarHBondContact O-N 2.98Å
139V93.1Very high87.7Confident82 Ų82100.2 Ų100.250%0.49751%0.509SS..Hα-helixtrans-64.1-45.2176.3172.50000110.7D135 T136 H141 H142 Q143D135-V139 WeakPolarHBondContact O-CG2 3.42Å; D135-V139 PolarHBondContact O-N 2.81Å; T136-V139 PolarHBondContact O-N 2.83Å; V139-H141 VanDerWaalsContact C-N 3.33Å; V139-H141 PolarHBondContact O-N 2.89Å; V139-H142 PolarHBondContact O-N 3.49Å; V139-Q143 WeakPolarHBondContact O-CG 3.42Å; V139-Q143 PolarHBondContact O-N 2.94Å
140L88.4Confident87.7Confident101 Ų101100.5 Ų100.553%0.52951%0.507SS..Hα-helixtrans-62.1-40.7175.5-74.8172.5000111.8T136 H142 Q143 G144T136-L140 HydrophobicContact CG2-CD1 4.05Å; T136-L140 HydrophobicContact CG2-CG 4.35Å; T136-L140 WeakPolarHBondContact O-CB 3.41Å; T136-L140 VanDerWaalsContact O-CG 3.32Å; T136-L140 WeakPolarHBondContact O-CG 3.27Å; T136-L140 PolarHBondContact O-N 3.38Å; L140-H142 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 3.01Å; L140-Q143 PolarHBondContact O-N 2.87Å; L140-G144 PolarHBondContact O-N 2.98Å
141H89.5Confident87.4Confident125 Ų12598.8 Ų98.858%0.57950%0.501SS*.Hα-helixtrans-62.6-42.8175.9-173.664.4000111.5A137 R138 V139 G144 Q145A137-H141 VanDerWaalsContact O-CB 3.25Å; A137-H141 WeakPolarHBondContact O-CB 3.48Å; A137-H141 PolarHBondContact O-N 3.26Å; R138-H141 PolarHBondContact O-N 2.65Å; V139-H141 VanDerWaalsContact C-N 3.33Å; V139-H141 PolarHBondContact O-N 2.89Å; H141-G144 PolarHBondContact O-N 3.25Å; H141-Q145 PolarHBondContact CD2-NE2 2.83Å; H141-Q145 PolarHBondContact NE2-NE2 3.24Å; H141-Q145 WeakPolarHBondContact O-CG 3.47Å; H141-Q145 PolarHBondContact O-N 3.41Å
142H91.9Very high87.1Confident100 Ų100100 Ų10046%0.46350%0.502SS..Hα-helixtrans-64.4-40.8174.5-17366.7000112.3R138 V139 L140 G144 Q145 Q146R138-H142 WeakPolarHBondContact O-CB 3.5Å; R138-H142 PolarHBondContact O-N 2.98Å; V139-H142 PolarHBondContact O-N 3.49Å; L140-H142 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 3.01Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.26Å; H142-Q145 PolarHBondContact O-N 3.16Å; H142-Q146 PolarHBondContact NE2-NE2 2.86Å; H142-Q146 WeakPolarHBondContact O-CG 3.42Å; H142-Q146 PolarHBondContact O-N 3.34Å
143Q87.6Confident86.8Confident104 Ų10492.3 Ų92.349%0.48648%0.482SS..Hα-helixtrans-63.1-38.6174.3-75.1-179.5-15.700112.1V139 L140 Q146 L147V139-Q143 WeakPolarHBondContact O-CG 3.42Å; V139-Q143 PolarHBondContact O-N 2.94Å; L140-Q143 PolarHBondContact O-N 2.87Å; Q143-Q146 PolarHBondContact O-N 3.47Å; Q143-L147 WeakPolarHBondContact O-CG 3.23Å; Q143-L147 PolarHBondContact O-N 3.09Å
144G85.9Confident86.3Confident28 Ų2891.1 Ų91.129%0.28948%0.476SS..Hα-helixtrans-60.7-45.1172.500000112.1L140 H141 H142 Q146 L147 D148L140-G144 PolarHBondContact O-N 2.98Å; H141-G144 PolarHBondContact O-N 3.25Å; H142-G144 VanDerWaalsContact C-N 3.33Å; H142-G144 PolarHBondContact O-N 3.26Å; G144-Q146 VanDerWaalsContact C-N 3.29Å; G144-Q146 PolarHBondContact O-N 3.07Å; G144-L147 WeakPolarHBondContact O-CB 3.2Å; G144-L147 PolarHBondContact O-N 2.96Å; G144-L147 VanDerWaalsContact O-N 3.14Å; G144-D148 PolarHBondContact O-N 3.07Å
145Q85.8Confident85.8Confident96 Ų9691.6 Ų91.645%0.44948%0.481SS..Hα-helixtrans-61.9-36.3175.7-69.8176.3-6.100112.7H141 H142 D148 S149H141-Q145 PolarHBondContact CD2-NE2 2.83Å; H141-Q145 PolarHBondContact NE2-NE2 3.24Å; H141-Q145 WeakPolarHBondContact O-CG 3.47Å; H141-Q145 PolarHBondContact O-N 3.41Å; H142-Q145 PolarHBondContact O-N 3.16Å; Q145-D148 PolarHBondContact O-N 3.02Å; Q145-S149 PolarHBondContact O-N 3.11Å; Q145-S149 VanDerWaalsContact O-N 3.11Å
146Q86.9Confident85.1Confident111 Ų11195.1 Ų95.152%0.51949%0.493SS..Hα-helixtrans-67-41.9174.1-69.6-166.41.800111.6H142 Q143 G144 D148 S149 V150H142-Q146 PolarHBondContact NE2-NE2 2.86Å; H142-Q146 WeakPolarHBondContact O-CG 3.42Å; H142-Q146 PolarHBondContact O-N 3.34Å; Q143-Q146 PolarHBondContact O-N 3.47Å; G144-Q146 VanDerWaalsContact C-N 3.29Å; G144-Q146 PolarHBondContact O-N 3.07Å; Q146-D148 PolarHBondContact O-N 2.97Å; Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 3.41Å; Q146-V150 WeakPolarHBondContact O-CG2 3.26Å; Q146-V150 PolarHBondContact O-N 2.79Å
147L79.3Confident84.4Confident122 Ų12297 Ų9764%0.63950%0.498SS*.Hα-helixtrans-61.6-41.6174.3-73.8170.4000112Q143 G144 S149 V150 M151Q143-L147 WeakPolarHBondContact O-CG 3.23Å; Q143-L147 PolarHBondContact O-N 3.09Å; G144-L147 WeakPolarHBondContact O-CB 3.2Å; G144-L147 PolarHBondContact O-N 2.96Å; G144-L147 VanDerWaalsContact O-N 3.14Å; L147-S149 PolarHBondContact O-N 3.31Å; L147-V150 PolarHBondContact O-N 2.78Å; L147-V150 VanDerWaalsContact O-N 3.14Å; L147-M151 WeakPolarHBondContact O-CB 3.34Å; L147-M151 PolarHBondContact O-N 3.31Å
148D85.5Confident83.7Confident81 Ų81100.4 Ų100.443%0.43351%0.505SS..Hα-helixtrans-63-32.9175.6-72-20000112.5G144 Q145 Q146 R152G144-D148 PolarHBondContact O-N 3.07Å; Q145-D148 PolarHBondContact O-N 3.02Å; Q146-D148 PolarHBondContact O-N 2.97Å; D148-R152 PolarHBondContact O-N 3.06Å; D148-R152 VanDerWaalsContact O-N 3.1Å; D148-R152 PolarHBondContact O-NE 2.91Å
149S78.6Confident82.9Confident68 Ų6896.3 Ų96.348%0.47650%0.497SS..Hα-helixtrans-71.5-38.6174.3-1710000111.8Q145 Q146 L147 G153Q145-S149 PolarHBondContact O-N 3.11Å; Q145-S149 VanDerWaalsContact O-N 3.11Å; Q146-S149 WeakPolarHBondContact O-CB 3.45Å; Q146-S149 PolarHBondContact O-N 3.41Å; L147-S149 PolarHBondContact O-N 3.31Å; S149-G153 PolarHBondContact O-N 3.13Å
150V83.6Confident81.8Confident85 Ų8596.6 Ų96.652%0.51550%0.496SS..Hα-helixtrans-68-41.4175.3172.90000110.6Q146 L147 G153 L154Q146-V150 WeakPolarHBondContact O-CG2 3.26Å; Q146-V150 PolarHBondContact O-N 2.79Å; L147-V150 PolarHBondContact O-N 2.78Å; L147-V150 VanDerWaalsContact O-N 3.14Å; V150-G153 CarbonylContact O-C 3.43Å; V150-G153 WeakPolarHBondContact O-CA 3.38Å; V150-G153 PolarHBondContact O-N 2.66Å; V150-G153 VanDerWaalsContact O-N 3.07Å; V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.93Å
151M81.1Confident80.7Confident101 Ų10196.8 Ų96.850%0.49850%0.497SS..Hα-helixtrans-60.7-47.1176.1-174.2175.26600111.4L147 G153 L154 D155L147-M151 WeakPolarHBondContact O-CB 3.34Å; L147-M151 PolarHBondContact O-N 3.31Å; M151-G153 PolarHBondContact O-N 3.14Å; M151-L154 WeakPolarHBondContact O-CB 3.36Å; M151-L154 PolarHBondContact O-N 3.24Å; M151-L154 VanDerWaalsContact O-N 3.09Å; M151-D155 PolarHBondContact O-N 2.84Å
152R83.1Confident79.5Confident160 Ų16097.7 Ų97.760%0.60450%0.501SS*.Hα-helixtrans-61-33.6172.1-81.3179.9-78.9146.4-8.6113.2D148 K156D148-R152 PolarHBondContact O-N 3.06Å; D148-R152 VanDerWaalsContact O-N 3.1Å; D148-R152 PolarHBondContact O-NE 2.91Å; R152-K156 WeakPolarHBondContact O-CB 3.4Å; R152-K156 PolarHBondContact O-N 3.14Å; R152-K156 VanDerWaalsContact O-N 3.16Å
153G81.6Confident78.1Confident29 Ų2997.3 Ų97.330%0.29951%0.506SS..Hα-helixtrans-67.1-41.1172.600000112.5S149 V150 M151 K156 M157S149-G153 PolarHBondContact O-N 3.13Å; V150-G153 CarbonylContact O-C 3.43Å; V150-G153 WeakPolarHBondContact O-CA 3.38Å; V150-G153 PolarHBondContact O-N 2.66Å; V150-G153 VanDerWaalsContact O-N 3.07Å; M151-G153 PolarHBondContact O-N 3.14Å; G153-K156 PolarHBondContact O-N 3.5Å; G153-M157 WeakPolarHBondContact O-CG 3.33Å; G153-M157 PolarHBondContact O-N 3.43Å
154L75.9Confident76.6Confident100 Ų10094.3 Ų94.352%0.52450%0.499SS..Hα-helixtrans-65.6-45.1175.6-73.8165.4000111.5V150 M151 K156 M157 E158V150-L154 HydrophobicContact CG1-CD1 4.02Å; V150-L154 HydrophobicContact CG1-CG 4.37Å; V150-L154 WeakPolarHBondContact O-CG 3.39Å; V150-L154 PolarHBondContact O-N 2.93Å; M151-L154 WeakPolarHBondContact O-CB 3.36Å; M151-L154 PolarHBondContact O-N 3.24Å; M151-L154 VanDerWaalsContact O-N 3.09Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.97Å; L154-M157 HydrophobicContact CD2-CE 3.57Å; L154-M157 HydrophobicContact CG-CE 4.11Å; L154-M157 CarbonylContact O-C 3.56Å; L154-M157 PolarHBondContact O-N 2.87Å; L154-M157 VanDerWaalsContact O-N 3.1Å; L154-E158 WeakPolarHBondContact O-CB 3.34Å; L154-E158 PolarHBondContact O-N 3.46Å
155D81.5Confident75.3Confident100 Ų10097.3 Ų97.354%0.53551%0.508SS..Hα-helixtrans-59.5-39.6175.7-67.4-24.2000111.5M151 E158 S159M151-D155 PolarHBondContact O-N 2.84Å; D155-E158 PolarHBondContact O-N 2.9Å; D155-S159 PolarHBondContact O-N 2.81Å
156K79.8Confident74Confident138 Ų138102.5 Ų102.560%0.652%0.524SS*.Hα-helixtrans-65.8-43.8174.6-172.7-177.4175.2-170.20111.5R152 G153 L154 E158 S159 D160R152-K156 WeakPolarHBondContact O-CB 3.4Å; R152-K156 PolarHBondContact O-N 3.14Å; R152-K156 VanDerWaalsContact O-N 3.16Å; G153-K156 PolarHBondContact O-N 3.5Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 2.97Å; K156-E158 VanDerWaalsContact C-N 3.34Å; K156-S159 PolarHBondContact O-N 2.84Å; K156-S159 PolarHBondContact O-OG 2.98Å; K156-D160 VanDerWaalsContact O-CG 3.28Å; K156-D160 PolarHBondContact O-N 3.15Å
157M74.1Confident72.4Confident112 Ų112102.6 Ų102.655%0.55253%0.527SS*.Hα-helixtrans-66.3-35177.2-72.2-176.2-58.400112.5G153 L154 D160 L161G153-M157 WeakPolarHBondContact O-CG 3.33Å; G153-M157 PolarHBondContact O-N 3.43Å; L154-M157 HydrophobicContact CD2-CE 3.57Å; L154-M157 HydrophobicContact CG-CE 4.11Å; L154-M157 CarbonylContact O-C 3.56Å; L154-M157 PolarHBondContact O-N 2.87Å; L154-M157 VanDerWaalsContact O-N 3.1Å; M157-D160 PolarHBondContact O-N 3.21Å; M157-L161 WeakPolarHBondContact O-CB 3.4Å; M157-L161 PolarHBondContact O-N 2.94Å
158E74.9Confident71Confident127 Ų127102 Ų10259%0.59352%0.524SS*.Hα-helixtrans-63-44.8172.1-176.663-157.700110.6L154 D155 K156 D160 L161 E162L154-E158 WeakPolarHBondContact O-CB 3.34Å; L154-E158 PolarHBondContact O-N 3.46Å; D155-E158 PolarHBondContact O-N 2.9Å; K156-E158 VanDerWaalsContact C-N 3.34Å; E158-D160 VanDerWaalsContact C-N 3.31Å; E158-D160 PolarHBondContact O-N 2.77Å; E158-L161 PolarHBondContact O-N 3.41Å; E158-L161 VanDerWaalsContact O-N 3.14Å; E158-E162 PolarHBondContact O-N 2.86Å
159S72.7Confident69.6Low52 Ų52102.7 Ų102.736%0.36453%0.532SS..Hα-helixtrans-63.8-35.9174.873.50000112.9D155 K156 L161 E162 V163D155-S159 PolarHBondContact O-N 2.81Å; K156-S159 PolarHBondContact O-N 2.84Å; K156-S159 PolarHBondContact O-OG 2.98Å; S159-L161 VanDerWaalsContact C-N 3.32Å; S159-E162 PolarHBondContact O-N 3.48Å; S159-V163 WeakPolarHBondContact O-CG2 3.46Å; S159-V163 PolarHBondContact O-N 3.37Å
160D70.3Confident68.1Low89 Ų89107.4 Ų107.448%0.47655%0.546SS..Hα-helixtrans-70.9-30.8175.6-69.7-22.5000111.1K156 M157 E158 V163 A164K156-D160 VanDerWaalsContact O-CG 3.28Å; K156-D160 PolarHBondContact O-N 3.15Å; M157-D160 PolarHBondContact O-N 3.21Å; E158-D160 VanDerWaalsContact C-N 3.31Å; E158-D160 PolarHBondContact O-N 2.77Å; D160-V163 PolarHBondContact O-N 3.2Å; D160-A164 PolarHBondContact O-N 3.24Å; D160-A164 VanDerWaalsContact O-N 3.07Å
161L65.6Low66.7Low104 Ų104109.3 Ų109.355%0.54555%0.552SS.*Hα-helixtrans-76-33.3175.9-163.9141.6000112.1M157 E158 S159 V163 A164 D165M157-L161 WeakPolarHBondContact O-CB 3.4Å; M157-L161 PolarHBondContact O-N 2.94Å; E158-L161 PolarHBondContact O-N 3.41Å; E158-L161 VanDerWaalsContact O-N 3.14Å; S159-L161 VanDerWaalsContact C-N 3.32Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.9Å; L161-A164 CarbonylContact O-C 3.54Å; L161-A164 PolarHBondContact O-N 2.86Å; L161-A164 VanDerWaalsContact O-N 3.14Å; L161-D165 WeakPolarHBondContact O-CB 3.27Å; L161-D165 PolarHBondContact O-N 2.92Å
162E64.1Low65Low144 Ų144113.5 Ų113.567%0.67357%0.571SS**Hα-helixtrans-60.9-38.5169.3-170.1-175173.200111.4E158 S159 D165 R166E158-E162 PolarHBondContact O-N 2.86Å; S159-E162 PolarHBondContact O-N 3.48Å; E162-D165 PolarHBondContact O-N 3.31Å; E162-R166 PolarHBondContact O-N 2.81Å
163V61.7Low63Low93 Ų93110.8 Ų110.856%0.56458%0.576SS**Hα-helixtrans-68.4-36.8173.1177.10000111.5S159 D160 L161 R166 L167S159-V163 WeakPolarHBondContact O-CG2 3.46Å; S159-V163 PolarHBondContact O-N 3.37Å; D160-V163 PolarHBondContact O-N 3.2Å; L161-V163 VanDerWaalsContact C-N 3.29Å; L161-V163 PolarHBondContact O-N 2.9Å; V163-R166 PolarHBondContact O-N 2.97Å; V163-L167 PolarHBondContact O-N 2.86Å
164A57.3Low61.7Low40 Ų40113.4 Ų113.433%0.33159%0.588SS.*Hα-helixtrans-70.4-34.4175.200000112.6D160 L161 R166 L167 L168D160-A164 PolarHBondContact O-N 3.24Å; D160-A164 VanDerWaalsContact O-N 3.07Å; L161-A164 CarbonylContact O-C 3.54Å; L161-A164 PolarHBondContact O-N 2.86Å; L161-A164 VanDerWaalsContact O-N 3.14Å; A164-R166 VanDerWaalsContact C-N 3.3Å; A164-R166 PolarHBondContact O-N 2.92Å; A164-L167 CarbonylContact O-C 3.59Å; A164-L167 PolarHBondContact O-N 2.83Å; A164-L167 VanDerWaalsContact O-N 3.11Å; A164-L168 WeakPolarHBondContact O-CB 3.32Å; A164-L168 WeakPolarHBondContact O-CG 3.42Å; A164-L168 PolarHBondContact O-N 3.26Å
165D57.3Low60.4Low92 Ų92114.2 Ų114.249%0.49261%0.61SS.*Hα-helixtrans-68-32176.6-161.347.8000111.3L161 E162 L167 L168 T169L161-D165 WeakPolarHBondContact O-CB 3.27Å; L161-D165 PolarHBondContact O-N 2.92Å; E162-D165 PolarHBondContact O-N 3.31Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 2.83Å; D165-L168 PolarHBondContact O-N 3.24Å; D165-T169 WeakPolarHBondContact O-CB 3.45Å; D165-T169 PolarHBondContact O-N 3.03Å; D165-T169 PolarHBondContact O-OG1 3.05Å
166R59Low59.5Low205 Ų205118.6 Ų118.677%0.77462%0.619SS**Hα-helixtrans-67.1-25.8170.8-160.8178.3-179.9-170.60.6113.6E162 V163 A164 T169E162-R166 PolarHBondContact O-N 2.81Å; V163-R166 PolarHBondContact O-N 2.97Å; A164-R166 VanDerWaalsContact C-N 3.3Å; A164-R166 PolarHBondContact O-N 2.92Å; R166-T169 WeakPolarHBondContact CA-OG1 3.36Å
167L53.6Low57.8Low113 Ų113120.3 Ų120.359%0.59262%0.622SS**Hα-helixtrans-88.9-26.7173.6-66.8171.7000112.2V163 A164 D165V163-L167 PolarHBondContact O-N 2.86Å; A164-L167 CarbonylContact O-C 3.59Å; A164-L167 PolarHBondContact O-N 2.83Å; A164-L167 VanDerWaalsContact O-N 3.11Å; D165-L167 VanDerWaalsContact C-N 3.28Å; D165-L167 PolarHBondContact O-N 2.83Å
168L50.5Low56.9Low109 Ų109120.2 Ų120.257%0.57163%0.629SS**Hα-helixtrans-83-27.2175.8-76.9167.1000113.3A164 D165 E170 L171A164-L168 WeakPolarHBondContact O-CB 3.32Å; A164-L168 WeakPolarHBondContact O-CG 3.42Å; A164-L168 PolarHBondContact O-N 3.26Å; D165-L168 PolarHBondContact O-N 3.24Å; L168-E170 PolarHBondContact O-N 3.48Å; L168-L171 CarbonylContact O-C 3.51Å; L168-L171 VanDerWaalsContact O-C 3.26Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 PolarHBondContact O-N 2.99Å
169T54.6Low55.9Low96 Ų96123 Ų12359%0.58964%0.64SS**THydrogen-bonded Turntrans-69.8-16.8171.432.10000113D165 R166D165-T169 WeakPolarHBondContact O-CB 3.45Å; D165-T169 PolarHBondContact O-N 3.03Å; D165-T169 PolarHBondContact O-OG1 3.05Å; R166-T169 WeakPolarHBondContact CA-OG1 3.36Å
170E48.9Very low54.6Low166 Ų166125.5 Ų125.578%0.77666%0.657SS**THydrogen-bonded Turntrans-85.5-10.7167.4-112.7179.6175.800113.2L168L168-E170 PolarHBondContact O-N 3.48Å
171L52.5Low53.3Low125 Ų125126.7 Ų126.765%0.65467%0.672SS**  trans-115.458.9175.7-71.5172.6000110.6L168 S173L168-L171 CarbonylContact O-C 3.51Å; L168-L171 VanDerWaalsContact O-C 3.26Å; L168-L171 WeakPolarHBondContact O-CA 3.46Å; L168-L171 PolarHBondContact O-N 2.99Å; L171-S173 PolarHBondContact O-N 3.07Å
172E45.9Very low52.3Low190 Ų190130.6 Ų130.689%0.88869%0.685SS**  trans-62.8106.9166.7-130.1-175.6-176.400108.8
173S42Very low51.7Low102 Ų102131.3 Ų131.371%0.71369%0.692SS**  trans-106.4144.7175.938.60000110.6L171L171-S173 PolarHBondContact O-N 3.07Å
174P52.7Low50.4Low84 Ų84139.1 Ų139.155%0.54571%0.712SS.*  trans-84.7163.2-150-6.224.9000113.8W176P174-W176 PolarHBondContact O-N 3.28Å
175A49.8Very low49.3Very low118 Ų118146.6 Ų146.698%0.97574%0.737SS**THydrogen-bonded Turntrans-63.222-168.100000118.4
176W61.5Low48.5Very low191 Ų191148.5 Ų148.572%0.72375%0.752SS**THydrogen-bonded Turntrans-111.99.9-176.962.7-67.3000114.4P174P174-W176 PolarHBondContact O-N 3.28Å
177W44.8Very low47.4Very low175 Ų175144.5 Ų144.566%0.66375%0.753SS**  trans-88.7141.4174.6-125.6-93.9000112.9F179W177-F179 PolarHBondContact O-N 2.86Å
178P55.5Low46.8Very low110 Ų110145 Ų14571%0.71476%0.762SS**SBendtrans-97.414.9-161.19.811.2000115.9
179F54.5Low46Very low186 Ų186149.1 Ų149.182%0.81678%0.779SS**  trans-104.920-178-67-69.4000115W177 S181W177-F179 PolarHBondContact O-N 2.86Å; F179-S181 PolarHBondContact O-N 3.37Å
180S44.9Very low44.9Very low104 Ų104151.2 Ų151.273%0.72779%0.792SS**  trans-75.399.3173.378.20000110.6K182S180-K182 PolarHBondContact O-N 2.78Å; S180-K182 VanDerWaalsContact O-N 3.1Å
181S42.9Very low44.2Very low113 Ų113152.9 Ų152.979%0.7980%0.796SS**  trans-59.7103.7176.6520000112.3F179F179-S181 PolarHBondContact O-N 3.37Å
182K44.3Very low43.2Very low187 Ų187153.1 Ų153.181%0.81381%0.806SS**  trans-101.9105.2156.4-82-176.3179.2174.70109.5S180S180-K182 PolarHBondContact O-N 2.78Å; S180-K182 VanDerWaalsContact O-N 3.1Å
183L51Low42.5Very low158 Ų158155.9 Ų155.983%0.82781%0.808SS**  trans19.2108.2151.7-80.287.1000117.2
184W35.5Very low41.8Very low258 Ų258159.2 Ų159.298%0.97781%0.812SS**PPolyproline II helixtrans-75.8125.4157.9-73.94.8000110.1
185K33.9Very low40.5Very low196 Ų196161.8 Ų161.885%0.85282%0.821SS**PPolyproline II helixtrans-78.7137.1-177.9-67.8-176.8171.5-176.30111.3
186T39.5Very low39.5Very low133 Ų133162.2 Ų162.282%0.81681%0.812SS**PPolyproline II helixtrans-68.4137.7164.8410000111.8
187P37.2Very low37.9Very low121 Ų121158.2 Ų158.279%0.78681%0.813SS**PPolyproline II helixtrans-77154.1169.6-15.230.8000113.2
188P39.3Very low37Very low122 Ų122157.4 Ų157.479%0.79282%0.818SS**PPolyproline II helixtrans-85.8150.6-163.833.2-34.6000115.7
189E33.8Very low35.8Very low197 Ų197158.6 Ų158.692%0.92182%0.824SS**PPolyproline II helixtrans-54.5133.1172.7-143.2-178.9176.200113.8
190T31.7Very low34.6Very low140 Ų140153.9 Ų153.986%0.85981%0.813SS**  trans-120.4124.6168.513.60000110.9
191K34.6Very low34.2Very low200 Ų200154 Ų15487%0.8781%0.813SS**  trans-58.8146.8-176-65.5174.6173.6176.70114.3
192P32.2Very low33.7Very low131 Ų131154.8 Ų154.885%0.85180%0.804SS**  trans-87.9149.316034.4-27.6000111.1
193R31.5Very low33.6Very low248 Ų248152 Ų15294%0.93681%0.806SS**  trans-119.9112.7173.8-144.1-174.9-169.4-118.74.4107.8
194E26.6Very low33.5Very low171 Ų171151 Ų15180%0.79980%0.795SS**  trans-53154.3153.6-87.7167152.600109.3
195D26.2Very low33.9Very low139 Ų139142 Ų14274%0.74378%0.782SS**  cis-168.9143.419.3-138.2-6.6000105.2
196V27.5Very low35Very low127 Ų127142.8 Ų142.877%0.7779%0.785SS**  157131.298.3176.20000103
197S27.8Very low36.1Very low106 Ų106139 Ų13974%0.74176%0.758SS**  -158.1133.260.1-166.20000111.6
198M27.2Very low38.2Very low159 Ų159134.9 Ų134.978%0.78374%0.738SS**  trans-46.9132.9163.4-71.4170.1159.400112.9
199T30.3Very low40.8Very low135 Ų135134.2 Ų134.283%0.82873%0.727SS**  -135.676.8114.341.50000107.7C201T199-C201 PolarHBondContact O-N 2.83Å; T199-C201 VanDerWaalsContact O-N 3.09Å
200S29Very low43.6Very low86 Ų86128.7 Ų128.760%0.60170%0.703SS**  trans-65.3103.9157.356.80000106.6E202S200-E202 PolarHBondContact O-N 3.35Å
201C37Very low46.6Very low107 Ų107123.4 Ų123.472%0.72367%0.67SS**  trans-62.6112.4158.3-720000105.7T199T199-C201 PolarHBondContact O-N 2.83Å; T199-C201 VanDerWaalsContact O-N 3.09Å
202E32.3Very low49.5Very low129 Ų129119.4 Ų119.460%0.60365%0.652SS**  trans-47.4148.5173.1-64.1-175.7140.900109.8S200 F204S200-E202 PolarHBondContact O-N 3.35Å; E202-F204 HydrophobicContact CB-CD2 4.43Å; E202-F204 HydrophobicContact CB-CE2 4.36Å; E202-F204 WeakPolarHBondContact O-CD2 3.37Å; E202-F204 PolarHBondContact O-N 3.37Å
203P41.2Very low52.6Low130 Ų130113.3 Ų113.384%0.84461%0.612SS**  trans-67.186.8163.128.9-29.1000106.6G205P203-G205 PolarHBondContact O-N 2.78Å
204F48.4Very low55.7Low137 Ų137103.5 Ų103.560%0.60158%0.581SS**  trans-55.3111.7-179.7-83.4-81.3000108.3E202 K206E202-F204 HydrophobicContact CB-CD2 4.43Å; E202-F204 HydrophobicContact CB-CE2 4.36Å; E202-F204 WeakPolarHBondContact O-CD2 3.37Å; E202-F204 PolarHBondContact O-N 3.37Å; F204-K206 PolarHBondContact O-N 3.41Å
205G44.2Very low59Low68 Ų6895.4 Ų95.470%0.70154%0.543SS*.THydrogen-bonded Turntrans-63132.3-17100000111.4P203 E207P203-G205 PolarHBondContact O-N 2.78Å; G205-E207 VanDerWaalsContact C-N 3.29Å; G205-E207 PolarHBondContact O-N 2.79Å
206K57.6Low62.3Low213 Ų21389 Ų8993%0.92651%0.509SS*.THydrogen-bonded Turntrans48.447.2167.6-59.6-178.9-179.2179.20113.7F204 G208F204-K206 PolarHBondContact O-N 3.41Å; K206-G208 PolarHBondContact O-N 3.08Å
207E62.5Low65.6Low52 Ų5283 Ų8324%0.24347%0.473CS..  trans-62.1130.9163.5-152146-155.700108.4G205 I209 L233 S235 R249G205-E207 VanDerWaalsContact C-N 3.29Å; G205-E207 PolarHBondContact O-N 2.79Å; E207-I209 VanDerWaalsContact C-N 3.26Å; E207-I209 PolarHBondContact O-N 3.32Å; E207-L233 HydrophobicContact CB-CD2 4.17Å; E207-L233 HydrophobicContact CG-CB 4.33Å; E207-L233 HydrophobicContact CG-CD1 4.03Å; E207-L233 HydrophobicContact CG-CD2 4.02Å; E207-L233 HydrophobicContact CG-CG 4.36Å; E207-S235 VanDerWaalsContact CD-OG 3.26Å; E207-S235 WeakPolarHBondContact CG-OG 3.29Å; E207-S235 WeakPolarHBondContact OE1-CB 3.44Å; E207-S235 PolarHBondContact OE1-OG 3.09Å; E207-R249 VanDerWaalsContact CD-NH1 3.33Å; E207-R249 IonicContact OE1-CZ 2.88Å; E207-R249 IonicContact OE1-NH1 3.89Å; E207-R249 PolarHBondContact OE1-NH1 3.24Å; E207-R249 IonicContact OE1-NH2 3.1Å; E207-R249 PolarHBondContact OE1-NH2 2.97Å; E207-R249 IonicContact OE2-CZ 3.2Å; E207-R249 IonicContact OE2-NH1 3.52Å; E207-R249 PolarHBondContact OE2-NH1 2.66Å; E207-R249 IonicContact OE2-NH2 2.77Å
208G82.1Confident68.7Low36 Ų3678.5 Ų78.537%0.37144%0.441SS..  trans-65.885.6-176.600000110.4K206 L210 L233 V234K206-G208 PolarHBondContact O-N 3.08Å; G208-L210 PolarHBondContact O-N 2.9Å; G208-L233 CarbonylContact O-C 3.51Å; G208-L233 WeakPolarHBondContact O-CA 3.45Å; G208-V234 WeakPolarHBondContact O-CG2 3.32Å; G208-V234 PolarHBondContact O-N 2.77Å
209I92.7Very high71.6Confident107 Ų10774.4 Ų74.455%0.54942%0.42SS..EExtended strand (participates in β ladder)trans-67.7118174.9-60.9165.8000107.4E207 T231 L233E207-I209 VanDerWaalsContact C-N 3.26Å; E207-I209 PolarHBondContact O-N 3.32Å; I209-T231 HydrophobicContact CG1-CG2 4.28Å; I209-T231 HydrophobicContact CG2-CG2 3.89Å; I209-L233 HydrophobicContact CB-CD2 4.31Å; I209-L233 HydrophobicContact CG1-CD2 3.59Å
210L93.3Very high73.6Confident81 Ų8174 Ų7442%0.42440%0.403SS..EExtended strand (participates in β ladder)trans-82.8-46.8174.8-64.2-176.6000110.8G208 V232 V234 I293 Q297G208-L210 PolarHBondContact O-N 2.9Å; L210-V232 HydrophobicContact CB-CB 4.48Å; L210-V232 HydrophobicContact CB-CG1 4.31Å; L210-V232 HydrophobicContact CD1-CG1 4.23Å; L210-V232 PolarHBondContact N-O 3.18Å; L210-V234 HydrophobicContact CD2-CG2 3.85Å; L210-V234 HydrophobicContact CG-CG2 4.14Å; L210-I293 HydrophobicContact CB-CG2 4.17Å; L210-I293 HydrophobicContact CD1-CG2 3.58Å; L210-Q297 HydrophobicContact CD1-CG 4.37Å
211I95.4Very high75.3Confident30 Ų3074.2 Ų74.215%0.15440%0.4CS..EExtended strand (participates in β ladder)trans-159.3152.5178.6-169.1166.9000110.9I213 V232 E289 V290 I293I211-I213 HydrophobicContact CD1-CG2 4.04Å; I211-I213 HydrophobicContact CG1-CG2 3.98Å; I211-V232 HydrophobicContact CG2-CB 3.78Å; I211-V232 HydrophobicContact CG2-CG2 3.73Å; I211-V232 PolarHBondContact N-O 3.41Å; I211-V232 PolarHBondContact O-N 2.69Å; I211-E289 HydrophobicContact CD1-CB 3.89Å; I211-V290 HydrophobicContact CD1-CG2 4.05Å; I211-V290 HydrophobicContact CG1-CG2 4.5Å; I211-V290 HydrophobicContact CG2-CG2 3.89Å; I211-I293 HydrophobicContact CB-CD1 4.02Å; I211-I293 HydrophobicContact CD1-CD1 4.4Å; I211-I293 HydrophobicContact CG2-CD1 3.65Å
212K95.6Very high76.6Confident115 Ų11573.7 Ų73.750%0.539%0.387SS..EExtended strand (participates in β ladder)trans-134.1119177.5172.1167.5141.7172.20109R229 L230K212-R229 VanDerWaalsContact CE-NH1 3.28Å; K212-R229 HydrophobicContact CG-CG 3.86Å; K212-L230 WeakPolarHBondContact CA-O 3.39Å
213I96.4Very high78.2Confident4 Ų470 Ų702%0.02138%0.376CS..EExtended strand (participates in β ladder)trans-127142.8-177.562.7158.2000111.7I211 R229 L230 K286 M287 V290I211-I213 HydrophobicContact CD1-CG2 4.04Å; I211-I213 HydrophobicContact CG1-CG2 3.98Å; I213-R229 WeakPolarHBondContact O-CA 3.31Å; I213-R229 WeakPolarHBondContact O-CG 3.2Å; I213-L230 HydrophobicContact CD1-CD2 4.42Å; I213-L230 HydrophobicContact CG1-CB 4.04Å; I213-L230 HydrophobicContact CG1-CD2 4.46Å; I213-L230 PolarHBondContact N-O 2.8Å; I213-L230 PolarHBondContact O-N 3.41Å; I213-K286 HydrophobicContact CB-CB 3.87Å; I213-K286 HydrophobicContact CD1-CB 4.39Å; I213-K286 HydrophobicContact CG2-CB 3.64Å; I213-M287 HydrophobicContact CD1-CE 4.26Å; I213-M287 HydrophobicContact CD1-SD 4.17Å; I213-V290 HydrophobicContact CB-CG2 4.37Å; I213-V290 HydrophobicContact CD1-CB 4.32Å; I213-V290 HydrophobicContact CD1-CG2 3.43Å; I213-V290 VanDerWaalsContact CD1-CG2 3.43Å; I213-V290 HydrophobicContact CG1-CG2 3.78Å; I213-V290 HydrophobicContact CG2-CG2 3.68Å
214P96.3Very high80.1Confident42 Ų4270.5 Ų70.527%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-67.6145.216929-30.4000109.2H96 E100 S284H96-P214 VanDerWaalsContact CE1-C 3.46Å; H96-P214 PolarHBondContact CE1-O 3.28Å; H96-P214 VanDerWaalsContact CE1-O 3.24Å; E100-P214 HydrophobicContact CG-CG 4.19Å; E100-P214 WeakPolarHBondContact OE1-CG 3.29Å; E100-P214 WeakPolarHBondContact OE2-CG 3.39Å; P214-S284 VanDerWaalsContact O-CB 3.23Å; P214-S284 WeakPolarHBondContact O-CB 3.4Å; P214-S284 PolarHBondContact O-OG 3.49Å
215A96.4Very high82.1Confident0 Ų065.1 Ų65.10%035%0.345CS..EExtended strand (participates in β ladder)trans-149.6151.9-179.100000111.8G228 L282 I283A215-G228 PolarHBondContact N-O 3.27Å; A215-G228 CarbonylContact O-C 3.58Å; A215-G228 PolarHBondContact O-N 2.81Å; A215-L282 HydrophobicContact CB-CD2 4.33Å; A215-I283 WeakPolarHBondContact CA-O 3.43Å
216V96.1Very high84.4Confident4 Ų467.9 Ų67.92%0.02434%0.338CS..EExtended strand (participates in β ladder)trans-90.5119.6166.4-179.10000107.7I93 H96 V225 L282 I283I93-V216 HydrophobicContact CG1-CG1 4.16Å; H96-V216 HydrophobicContact CB-CG2 3.57Å; V216-V225 HydrophobicContact CG1-CB 3.53Å; V216-V225 HydrophobicContact CG1-CG1 3.92Å; V216-V225 HydrophobicContact CG1-CG2 3.92Å; V216-L282 WeakPolarHBondContact O-CA 3.36Å; V216-I283 HydrophobicContact CB-CB 4.38Å; V216-I283 PolarHBondContact N-O 3.01Å; V216-I283 PolarHBondContact O-N 2.76Å
217I95.4Very high86.1Confident3 Ų361.1 Ų61.12%0.01532%0.315CS..EExtended strand (participates in β ladder)trans-107.5130.5-170.6-54.1159000109.1V225 K226 I239 H240 M247 Y280 L282I217-V225 CarbonylContact O-C 3.56Å; I217-V225 VanDerWaalsContact O-CA 3.27Å; I217-V225 WeakPolarHBondContact O-CA 3.28Å; I217-K226 PolarHBondContact N-O 2.88Å; I217-K226 PolarHBondContact O-N 3.36Å; I217-I239 HydrophobicContact CD1-CG2 3.51Å; I217-I239 HydrophobicContact CG1-CG2 4.05Å; I217-I239 HydrophobicContact CG2-CG2 3.99Å; I217-H240 WeakPolarHBondContact CD1-O 3.19Å; I217-M247 HydrophobicContact CD1-SD 4.08Å; I217-Y280 HydrophobicContact CG2-CD1 3.62Å; I217-Y280 HydrophobicContact CG2-CE1 4.15Å; I217-L282 HydrophobicContact CB-CD2 4.17Å; I217-L282 HydrophobicContact CG1-CD2 3.62Å; I217-L282 HydrophobicContact CG2-CD2 4.08Å
218S93.1Very high87.7Confident10 Ų1059.3 Ų59.37%0.0731%0.311CS..EExtended strand (participates in β ladder)trans-121.6141.8165.554.10000110.3Y280 R281S218-Y280 WeakPolarHBondContact O-CA 3.45Å; S218-R281 PolarHBondContact N-O 3.22Å; S218-R281 PolarHBondContact O-N 3.12Å; S218-R281 WeakPolarHBondContact OG-CB 3.35Å; S218-R281 PolarHBondContact OG-O 2.83Å
219H88.4Confident88.3Confident74 Ų7459.9 Ų59.934%0.34330%0.302SS..EExtended strand (participates in β ladder)trans-114120.3178.9176.4-110.3000109T221 A279 Y280H219-T221 PolarHBondContact O-N 3.1Å; H219-A279 PolarHBondContact CD2-O 3.14Å; H219-Y280 HydrophobicContact CB-CD1 4.31Å; H219-Y280 HydrophobicContact CB-CE1 4.08Å; H219-Y280 AromaticContact CD2-CE1 3.9Å; H219-Y280 AromaticContact CD2-CZ 3.77Å
220R71.9Confident88.6Confident127 Ų12754.8 Ų54.848%0.47928%0.276SS..SBendtrans59-42.8-179.3-65-176.2175.7175.83.8118P276 D277 A279R220-P276 PolarHBondContact NH2-O 2.94Å; R220-D277 PolarHBondContact NE-O 3.39Å; R220-D277 PolarHBondContact NH2-O 3.14Å; R220-A279 PolarHBondContact N-O 3.44Å
221T65.1Low88.7Confident89 Ų8951.2 Ų51.255%0.54626%0.257SS..SBendtrans-134.9136.2-173.8-49.50000110.3H219 S223H219-T221 PolarHBondContact O-N 3.1Å; T221-S223 PolarHBondContact O-N 2.88Å
222E63.9Low88.8Confident96 Ų9649.8 Ų49.845%0.44925%0.249SC..THydrogen-bonded Turntrans-65.6-1.8-178.5-60.6176.5-168.900114.4V89 H224 R281V89-E222 WeakPolarHBondContact CG2-O 3.35Å; E222-H224 VanDerWaalsContact C-N 3.32Å; E222-H224 PolarHBondContact O-N 2.8Å; E222-R281 IonicContact OE1-CZ 3.3Å; E222-R281 IonicContact OE1-NH1 3.78Å; E222-R281 PolarHBondContact OE1-NH1 3.49Å
223S67Low88.8Confident51 Ų5144.4 Ų44.436%0.35723%0.226SC..THydrogen-bonded Turntrans-71.4-26.4-175.653.40000113.3T221T221-S223 PolarHBondContact O-N 2.88Å
224H80.5Confident88.5Confident142 Ų14248.2 Ų48.266%0.65725%0.25SC*.  trans-131.3114.1179.8-59.7-66.1000110.6E222E222-H224 VanDerWaalsContact C-N 3.32Å; E222-H224 PolarHBondContact O-N 2.8Å
225V90.4Very high88.2Confident23 Ų2348.1 Ų48.114%0.13925%0.25CC..EExtended strand (participates in β ladder)trans-105.5146.9168.7-62.90000110.1V89 V216 I217V89-V225 HydrophobicContact CB-CG2 4.14Å; V89-V225 HydrophobicContact CG1-CG1 4.01Å; V89-V225 HydrophobicContact CG1-CG2 4.34Å; V89-V225 HydrophobicContact CG2-CB 4.48Å; V89-V225 HydrophobicContact CG2-CG1 4.06Å; V89-V225 HydrophobicContact CG2-CG2 3.9Å; V216-V225 HydrophobicContact CG1-CB 3.53Å; V216-V225 HydrophobicContact CG1-CG1 3.92Å; V216-V225 HydrophobicContact CG1-CG2 3.92Å; I217-V225 CarbonylContact O-C 3.56Å; I217-V225 VanDerWaalsContact O-CA 3.27Å; I217-V225 WeakPolarHBondContact O-CA 3.28Å
226K92.1Very high88.1Confident127 Ų12748.1 Ų48.155%0.55225%0.25SS*.EExtended strand (participates in β ladder)trans-128137.7173.4-64.6-176.4-180-178.70109.3I217I217-K226 PolarHBondContact N-O 2.88Å; I217-K226 PolarHBondContact O-N 3.36Å
227P94.1Very high88.1Confident70 Ų7048 Ų4846%0.45525%0.249SC..EExtended strand (participates in β ladder)trans-66.4144.7167.728.6-32000109.6S242P227-S242 PolarHBondContact O-N 3.43Å; P227-S242 VanDerWaalsContact O-N 3.14Å
228G95.2Very high88.2Confident14 Ų1449.2 Ų49.214%0.14426%0.255CS..EExtended strand (participates in β ladder)trans-175.4-145.9177.400000111.1A215 H240A215-G228 PolarHBondContact N-O 3.27Å; A215-G228 CarbonylContact O-C 3.58Å; A215-G228 PolarHBondContact O-N 2.81Å; G228-H240 CarbonylContact C-O 3.54Å; G228-H240 VanDerWaalsContact CA-O 3.23Å; G228-H240 WeakPolarHBondContact CA-O 3.21Å
229R96.1Very high88.4Confident49 Ų4948.7 Ų48.719%0.18525%0.251CS..EExtended strand (participates in β ladder)trans-151.2136.8-168.3-167173.876.2-148.9-5.2112.5K212 I213 I239 H240 S244K212-R229 VanDerWaalsContact CE-NH1 3.28Å; K212-R229 HydrophobicContact CG-CG 3.86Å; I213-R229 WeakPolarHBondContact O-CA 3.31Å; I213-R229 WeakPolarHBondContact O-CG 3.2Å; R229-I239 WeakPolarHBondContact O-CA 3.14Å; R229-H240 HydrophobicContact CB-CB 4.32Å; R229-H240 PolarHBondContact N-O 3.05Å; R229-H240 PolarHBondContact O-N 2.98Å; R229-S244 PolarHBondContact NH1-OG 3.19Å
230L97.3Very high88.7Confident0 Ų046.2 Ų46.20%024%0.24CC..EExtended strand (participates in β ladder)trans-99.7127.8167.5176.367.1000109K212 I213 V232 I239 I266 L282 V290K212-L230 WeakPolarHBondContact CA-O 3.39Å; I213-L230 HydrophobicContact CD1-CD2 4.42Å; I213-L230 HydrophobicContact CG1-CB 4.04Å; I213-L230 HydrophobicContact CG1-CD2 4.46Å; I213-L230 PolarHBondContact N-O 2.8Å; I213-L230 PolarHBondContact O-N 3.41Å; L230-V232 HydrophobicContact CD2-CG2 4.41Å; L230-V232 HydrophobicContact CG-CG2 4.4Å; L230-I239 HydrophobicContact CD1-CG1 4.26Å; L230-I266 HydrophobicContact CD2-CD1 4.39Å; L230-L282 HydrophobicContact CD1-CD1 3.95Å; L230-L282 HydrophobicContact CD2-CD1 4.07Å; L230-L282 HydrophobicContact CG-CD1 4.4Å; L230-V290 HydrophobicContact CD2-CG1 4.13Å
231T96.8Very high89.7Confident5 Ų541.9 Ų41.93%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-112.7126.3168.6-51.20000108.3I209 L233 E238I209-T231 HydrophobicContact CG1-CG2 4.28Å; I209-T231 HydrophobicContact CG2-CG2 3.89Å; T231-L233 HydrophobicContact CG2-CD2 3.85Å; T231-L233 HydrophobicContact CG2-CG 4.28Å; T231-E238 PolarHBondContact N-O 3.4Å; T231-E238 PolarHBondContact O-N 3.39Å
232V96.3Very high91Very high0 Ų042 Ų420%023%0.231CC..EExtended strand (participates in β ladder)trans-98.9123171.9-175.50000108L210 I211 L230 L237 V290 I293 L294L210-V232 HydrophobicContact CB-CB 4.48Å; L210-V232 HydrophobicContact CB-CG1 4.31Å; L210-V232 HydrophobicContact CD1-CG1 4.23Å; L210-V232 PolarHBondContact N-O 3.18Å; I211-V232 HydrophobicContact CG2-CB 3.78Å; I211-V232 HydrophobicContact CG2-CG2 3.73Å; I211-V232 PolarHBondContact N-O 3.41Å; I211-V232 PolarHBondContact O-N 2.69Å; L230-V232 HydrophobicContact CD2-CG2 4.41Å; L230-V232 HydrophobicContact CG-CG2 4.4Å; V232-L237 HydrophobicContact CB-CD2 4.09Å; V232-L237 HydrophobicContact CG1-CD2 3.78Å; V232-L237 HydrophobicContact CG2-CD2 3.91Å; V232-V290 HydrophobicContact CG2-CG1 3.76Å; V232-I293 HydrophobicContact CG1-CG2 4.02Å; V232-L294 HydrophobicContact CG1-CD2 4.3Å; V232-L294 HydrophobicContact CG2-CD2 4.27Å
233L95Very high92.2Very high2 Ų241.6 Ų41.61%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-109.7164179.5-57.1168.4000109.5E207 G208 I209 T231 S235 G236 E238 Q297E207-L233 HydrophobicContact CB-CD2 4.17Å; E207-L233 HydrophobicContact CG-CB 4.33Å; E207-L233 HydrophobicContact CG-CD1 4.03Å; E207-L233 HydrophobicContact CG-CD2 4.02Å; E207-L233 HydrophobicContact CG-CG 4.36Å; G208-L233 CarbonylContact O-C 3.51Å; G208-L233 WeakPolarHBondContact O-CA 3.45Å; I209-L233 HydrophobicContact CB-CD2 4.31Å; I209-L233 HydrophobicContact CG1-CD2 3.59Å; T231-L233 HydrophobicContact CG2-CD2 3.85Å; T231-L233 HydrophobicContact CG2-CG 4.28Å; L233-S235 PolarHBondContact O-N 2.82Å; L233-G236 CarbonylContact C-O 3.38Å; L233-G236 WeakPolarHBondContact CA-O 3.32Å; L233-G236 WeakPolarHBondContact CB-O 3.5Å; L233-G236 PolarHBondContact N-O 3.05Å; L233-G236 VanDerWaalsContact O-O 3.11Å; L233-E238 HydrophobicContact CD1-CG 3.69Å; L233-Q297 PolarHBondContact O-NE2 3.44Å; L233-Q297 PolarHBondContact O-OE1 3.12Å
234V91.1Very high93.3Very high85 Ų8542.4 Ų42.452%0.51524%0.244SC..SBendtrans-62.5-34.6167.9173.90000111.4G208 L210G208-V234 WeakPolarHBondContact O-CG2 3.32Å; G208-V234 PolarHBondContact O-N 2.77Å; L210-V234 HydrophobicContact CD2-CG2 3.85Å; L210-V234 HydrophobicContact CG-CG2 4.14Å
235S90.8Very high94Very high39 Ų3941 Ų4127%0.27324%0.241SC..SBendtrans-84.6-15.4-177.149.20000114.6E207 L233 R252E207-S235 VanDerWaalsContact CD-OG 3.26Å; E207-S235 WeakPolarHBondContact CG-OG 3.29Å; E207-S235 WeakPolarHBondContact OE1-CB 3.44Å; E207-S235 PolarHBondContact OE1-OG 3.09Å; L233-S235 PolarHBondContact O-N 2.82Å; S235-R252 WeakPolarHBondContact O-CB 3.44Å; S235-R252 PolarHBondContact O-N 3.39Å
236G93.5Very high94.1Very high1 Ų143.5 Ų43.51%0.0125%0.253CS..EExtended strand (participates in β ladder)trans160.9-152.4-170.800000113.7L233 F250L233-G236 CarbonylContact C-O 3.38Å; L233-G236 WeakPolarHBondContact CA-O 3.32Å; L233-G236 WeakPolarHBondContact CB-O 3.5Å; L233-G236 PolarHBondContact N-O 3.05Å; L233-G236 VanDerWaalsContact O-O 3.11Å; G236-F250 CarbonylContact C-O 3.59Å; G236-F250 VanDerWaalsContact CA-O 3.22Å; G236-F250 WeakPolarHBondContact CA-O 3.39Å
237L96.8Very high94.2Very high0 Ų040.4 Ų40.40%024%0.241CC..EExtended strand (participates in β ladder)trans-133141.4-175.8-54.2173.6000110.5V232 R249 F250 V255 I258 I268 L294 F298V232-L237 HydrophobicContact CB-CD2 4.09Å; V232-L237 HydrophobicContact CG1-CD2 3.78Å; V232-L237 HydrophobicContact CG2-CD2 3.91Å; L237-R249 WeakPolarHBondContact O-CA 3.06Å; L237-F250 HydrophobicContact CB-CB 4.24Å; L237-F250 HydrophobicContact CB-CD2 4.25Å; L237-F250 PolarHBondContact N-O 3.38Å; L237-F250 PolarHBondContact O-N 3.41Å; L237-V255 HydrophobicContact CD1-CG2 4.44Å; L237-I258 HydrophobicContact CD1-CD1 4.13Å; L237-I268 HydrophobicContact CD1-CD1 3.73Å; L237-I268 HydrophobicContact CD1-CG2 4.28Å; L237-L294 HydrophobicContact CD1-CD2 4.29Å; L237-L294 HydrophobicContact CD2-CD2 3.68Å; L237-F298 HydrophobicContact CD1-CE2 4.15Å; L237-F298 HydrophobicContact CD1-CZ 4.14Å; L237-F298 HydrophobicContact CD2-CE2 4.03Å; L237-F298 HydrophobicContact CD2-CZ 4.4Å; L237-F298 HydrophobicContact CG-CE2 4.08Å; L237-F298 HydrophobicContact CG-CZ 3.99Å
238E96.6Very high94.2Very high29 Ų2938.6 Ų38.614%0.13623%0.227CC..EExtended strand (participates in β ladder)trans-127.4135176-65.7-179.9155.500111.4T231 L233 H240 L246 R249T231-E238 PolarHBondContact N-O 3.4Å; T231-E238 PolarHBondContact O-N 3.39Å; L233-E238 HydrophobicContact CD1-CG 3.69Å; E238-H240 IonicContact OE2-CE1 2.9Å; E238-H240 PolarHBondContact OE2-CE1 2.83Å; E238-H240 VanDerWaalsContact OE2-CE1 3.3Å; E238-H240 IonicContact OE2-NE2 3.7Å; E238-L246 HydrophobicContact CB-CD1 3.87Å; E238-L246 HydrophobicContact CG-CD1 4.07Å; E238-R249 HydrophobicContact CG-CB 4.26Å; E238-R249 HydrophobicContact CG-CG 3.99Å; E238-R249 IonicContact OE1-CZ 2.62Å; E238-R249 IonicContact OE1-NH1 3.95Å; E238-R249 PolarHBondContact OE1-NH1 2.96Å
239I96.6Very high94.3Very high0 Ų041.2 Ų41.20%023%0.232CC..EExtended strand (participates in β ladder)trans-111.3122.1175.5-60.2179000107.9I217 R229 L230 M247 H248 F250 Y280 L282I217-I239 HydrophobicContact CD1-CG2 3.51Å; I217-I239 HydrophobicContact CG1-CG2 4.05Å; I217-I239 HydrophobicContact CG2-CG2 3.99Å; R229-I239 WeakPolarHBondContact O-CA 3.14Å; L230-I239 HydrophobicContact CD1-CG1 4.26Å; I239-M247 HydrophobicContact CG2-CB 4.32Å; I239-M247 HydrophobicContact CG2-SD 4.33Å; I239-M247 WeakPolarHBondContact O-CA 3.37Å; I239-M247 WeakPolarHBondContact O-CB 3.27Å; I239-M247 PolarHBondContact O-N 2.75Å; I239-H248 PolarHBondContact N-O 3.45Å; I239-H248 PolarHBondContact O-N 2.86Å; I239-F250 HydrophobicContact CD1-CE2 3.79Å; I239-F250 HydrophobicContact CG1-CE2 4.46Å; I239-Y280 VanDerWaalsContact CD1-CB 3.48Å; I239-Y280 HydrophobicContact CD1-CD1 3.84Å; I239-Y280 HydrophobicContact CD1-CD2 3.83Å; I239-Y280 HydrophobicContact CD1-CE2 4.5Å; I239-Y280 HydrophobicContact CD1-CG 3.43Å; I239-Y280 VanDerWaalsContact CD1-CG 3.43Å; I239-Y280 HydrophobicContact CG2-CD1 4.48Å; I239-L282 HydrophobicContact CD1-CD1 4.17Å; I239-L282 HydrophobicContact CD1-CD2 4.25Å
240H95.7Very high94.2Very high21 Ų2138.9 Ų38.910%0.09722%0.224CC..EExtended strand (participates in β ladder)trans-115150.3177.2-60.675.6000110.6I217 G228 R229 E238 S244 L245I217-H240 WeakPolarHBondContact CD1-O 3.19Å; G228-H240 CarbonylContact C-O 3.54Å; G228-H240 VanDerWaalsContact CA-O 3.23Å; G228-H240 WeakPolarHBondContact CA-O 3.21Å; R229-H240 HydrophobicContact CB-CB 4.32Å; R229-H240 PolarHBondContact N-O 3.05Å; R229-H240 PolarHBondContact O-N 2.98Å; E238-H240 IonicContact OE2-CE1 2.9Å; E238-H240 PolarHBondContact OE2-CE1 2.83Å; E238-H240 VanDerWaalsContact OE2-CE1 3.3Å; E238-H240 IonicContact OE2-NE2 3.7Å; H240-S244 PolarHBondContact CD2-O 2.88Å; H240-L245 CarbonylContact C-O 3.51Å; H240-L245 VanDerWaalsContact CA-O 3.25Å; H240-L245 WeakPolarHBondContact CA-O 3.4Å
241D93.3Very high94.1Very high36 Ų3643.5 Ų43.519%0.19325%0.245CC..EExtended strand (participates in β ladder)trans-80.6-17617274.69.3000112.4S243 S244 L245 M247D241-S243 VanDerWaalsContact CG-OG 3.26Å; D241-S243 PolarHBondContact O-N 3.23Å; D241-S243 VanDerWaalsContact OD1-CA 3.27Å; D241-S243 WeakPolarHBondContact OD1-CA 3.31Å; D241-S243 WeakPolarHBondContact OD1-CB 3.46Å; D241-S243 PolarHBondContact OD1-N 2.85Å; D241-S243 PolarHBondContact OD1-OG 3.05Å; D241-S243 PolarHBondContact OD2-OG 2.94Å; D241-S243 VanDerWaalsContact OD2-OG 3.13Å; D241-S244 PolarHBondContact O-N 3.05Å; D241-S244 PolarHBondContact OD1-N 3.31Å; D241-S244 VanDerWaalsContact OD1-N 3.11Å; D241-L245 PolarHBondContact N-O 2.9Å; D241-L245 WeakPolarHBondContact OD1-CB 3.48Å; D241-L245 PolarHBondContact OD1-N 3.42Å; D241-M247 HydrophobicContact CB-CG 3.86Å; D241-M247 HydrophobicContact CB-SD 3.78Å
242S91Very high93.8Very high93 Ų9348.4 Ų48.465%0.6526%0.263SS*.THydrogen-bonded Turntrans-65.2-22.3177.957.90000114.3P227P227-S242 PolarHBondContact O-N 3.43Å; P227-S242 VanDerWaalsContact O-N 3.14Å
243S91.1Very high93.6Very high87 Ų8754.8 Ų54.861%0.60829%0.293SS*.THydrogen-bonded Turntrans-85.23.2174.272.40000113D241 L245D241-S243 VanDerWaalsContact CG-OG 3.26Å; D241-S243 PolarHBondContact O-N 3.23Å; D241-S243 VanDerWaalsContact OD1-CA 3.27Å; D241-S243 WeakPolarHBondContact OD1-CA 3.31Å; D241-S243 WeakPolarHBondContact OD1-CB 3.46Å; D241-S243 PolarHBondContact OD1-N 2.85Å; D241-S243 PolarHBondContact OD1-OG 3.05Å; D241-S243 PolarHBondContact OD2-OG 2.94Å; D241-S243 VanDerWaalsContact OD2-OG 3.13Å; S243-L245 PolarHBondContact O-N 3.32Å
244S90.1Very high93.5Very high67 Ų6757.7 Ų57.747%0.46931%0.309SS..  trans62.122.7-170.6-60.50000113.8R229 H240 D241R229-S244 PolarHBondContact NH1-OG 3.19Å; H240-S244 PolarHBondContact CD2-O 2.88Å; D241-S244 PolarHBondContact O-N 3.05Å; D241-S244 PolarHBondContact OD1-N 3.31Å; D241-S244 VanDerWaalsContact OD1-N 3.11Å
245L93.6Very high93.6Very high112 Ų11253.7 Ų53.759%0.58628%0.284SS*.  trans-78.5134.4168.6-175.569.2000109.1H240 D241 S243 M247H240-L245 CarbonylContact C-O 3.51Å; H240-L245 VanDerWaalsContact CA-O 3.25Å; H240-L245 WeakPolarHBondContact CA-O 3.4Å; D241-L245 PolarHBondContact N-O 2.9Å; D241-L245 WeakPolarHBondContact OD1-CB 3.48Å; D241-L245 PolarHBondContact OD1-N 3.42Å; S243-L245 PolarHBondContact O-N 3.32Å; L245-M247 PolarHBondContact O-N 2.62Å
246L94.2Very high93.8Very high76 Ų7655.2 Ų55.240%0.39829%0.289SS..EExtended strand (participates in β ladder)trans-66.4117.1176.6-177.667.4000109.7E238 R249E238-L246 HydrophobicContact CB-CD1 3.87Å; E238-L246 HydrophobicContact CG-CD1 4.07Å; L246-R249 HydrophobicContact CD1-CB 4.41Å; L246-R249 HydrophobicContact CD2-CB 4.25Å
247M93.7Very high93.9Very high63 Ų6355.6 Ų55.631%0.3129%0.291SS..EExtended strand (participates in β ladder)trans-85.6-45.1175.9-64.4-174.365.700111.5I217 I239 D241 L245 Y280I217-M247 HydrophobicContact CD1-SD 4.08Å; I239-M247 HydrophobicContact CG2-CB 4.32Å; I239-M247 HydrophobicContact CG2-SD 4.33Å; I239-M247 WeakPolarHBondContact O-CA 3.37Å; I239-M247 WeakPolarHBondContact O-CB 3.27Å; I239-M247 PolarHBondContact O-N 2.75Å; D241-M247 HydrophobicContact CB-CG 3.86Å; D241-M247 HydrophobicContact CB-SD 3.78Å; L245-M247 PolarHBondContact O-N 2.62Å; M247-Y280 HydrophobicContact CE-CE1 4.22Å
248H94.6Very high93.8Very high32 Ų3255.6 Ų55.615%0.14829%0.291CS..EExtended strand (participates in β ladder)trans-158.4145.1178.6-167.672000110.5I239 F250 Q270 Y280I239-H248 PolarHBondContact N-O 3.45Å; I239-H248 PolarHBondContact O-N 2.86Å; H248-F250 AromaticContact CD2-CD1 3.63Å; H248-F250 AromaticContact CD2-CD2 3.59Å; H248-F250 AromaticContact CD2-CE1 3.49Å; H248-F250 VanDerWaalsContact CD2-CE1 3.49Å; H248-F250 WeakPolarHBondContact CD2-CE1 3.28Å; H248-F250 AromaticContact CD2-CE2 3.45Å; H248-F250 VanDerWaalsContact CD2-CE2 3.45Å; H248-F250 WeakPolarHBondContact CD2-CE2 3.4Å; H248-F250 AromaticContact CD2-CG 3.7Å; H248-F250 AromaticContact CD2-CZ 3.42Å; H248-F250 VanDerWaalsContact CD2-CZ 3.42Å; H248-F250 WeakPolarHBondContact CD2-CZ 3.36Å; H248-F250 AromaticContact NE2-CD1 3.48Å; H248-F250 WeakPolarHBondContact NE2-CD1 3.39Å; H248-F250 AromaticContact NE2-CE1 3.46Å; H248-F250 WeakPolarHBondContact NE2-CE1 3.32Å; H248-F250 AromaticContact NE2-CG 3.93Å; H248-F250 AromaticContact NE2-CZ 3.89Å; H248-Q270 PolarHBondContact CE1-OE1 2.61Å; H248-Q270 PolarHBondContact NE2-OE1 2.92Å; H248-Y280 HydrophobicContact CB-CD2 4.43Å; H248-Y280 HydrophobicContact CB-CE2 3.49Å; H248-Y280 VanDerWaalsContact CB-CE2 3.49Å; H248-Y280 AromaticContact CG-CE2 3.76Å
249R95.3Very high93.7Very high69 Ų6957.3 Ų57.326%0.2630%0.298SS..EExtended strand (participates in β ladder)trans-120.6126.9172.3175.6173.4169.5117-4.1108.3E207 L237 E238 L246E207-R249 VanDerWaalsContact CD-NH1 3.33Å; E207-R249 IonicContact OE1-CZ 2.88Å; E207-R249 IonicContact OE1-NH1 3.89Å; E207-R249 PolarHBondContact OE1-NH1 3.24Å; E207-R249 IonicContact OE1-NH2 3.1Å; E207-R249 PolarHBondContact OE1-NH2 2.97Å; E207-R249 IonicContact OE2-CZ 3.2Å; E207-R249 IonicContact OE2-NH1 3.52Å; E207-R249 PolarHBondContact OE2-NH1 2.66Å; E207-R249 IonicContact OE2-NH2 2.77Å; L237-R249 WeakPolarHBondContact O-CA 3.06Å; E238-R249 HydrophobicContact CG-CB 4.26Å; E238-R249 HydrophobicContact CG-CG 3.99Å; E238-R249 IonicContact OE1-CZ 2.62Å; E238-R249 IonicContact OE1-NH1 3.95Å; E238-R249 PolarHBondContact OE1-NH1 2.96Å; L246-R249 HydrophobicContact CD1-CB 4.41Å; L246-R249 HydrophobicContact CD2-CB 4.25Å
250F95.1Very high93.6Very high0 Ų057.5 Ų57.50%030%0.299CS..EExtended strand (participates in β ladder)trans-100.8117.3170.1-60.8-84.4000108.2G236 L237 I239 H248 V255 I268 Q270 Y280G236-F250 CarbonylContact C-O 3.59Å; G236-F250 VanDerWaalsContact CA-O 3.22Å; G236-F250 WeakPolarHBondContact CA-O 3.39Å; L237-F250 HydrophobicContact CB-CB 4.24Å; L237-F250 HydrophobicContact CB-CD2 4.25Å; L237-F250 PolarHBondContact N-O 3.38Å; L237-F250 PolarHBondContact O-N 3.41Å; I239-F250 HydrophobicContact CD1-CE2 3.79Å; I239-F250 HydrophobicContact CG1-CE2 4.46Å; H248-F250 AromaticContact CD2-CD1 3.63Å; H248-F250 AromaticContact CD2-CD2 3.59Å; H248-F250 AromaticContact CD2-CE1 3.49Å; H248-F250 VanDerWaalsContact CD2-CE1 3.49Å; H248-F250 WeakPolarHBondContact CD2-CE1 3.28Å; H248-F250 AromaticContact CD2-CE2 3.45Å; H248-F250 VanDerWaalsContact CD2-CE2 3.45Å; H248-F250 WeakPolarHBondContact CD2-CE2 3.4Å; H248-F250 AromaticContact CD2-CG 3.7Å; H248-F250 AromaticContact CD2-CZ 3.42Å; H248-F250 VanDerWaalsContact CD2-CZ 3.42Å; H248-F250 WeakPolarHBondContact CD2-CZ 3.36Å; H248-F250 AromaticContact NE2-CD1 3.48Å; H248-F250 WeakPolarHBondContact NE2-CD1 3.39Å; H248-F250 AromaticContact NE2-CE1 3.46Å; H248-F250 WeakPolarHBondContact NE2-CE1 3.32Å; H248-F250 AromaticContact NE2-CG 3.93Å; H248-F250 AromaticContact NE2-CZ 3.89Å; F250-V255 HydrophobicContact CB-CG2 3.63Å; F250-V255 HydrophobicContact CD1-CG2 4.29Å; F250-V255 HydrophobicContact CG-CG2 4.17Å; F250-I268 HydrophobicContact CD1-CG2 4.32Å; F250-I268 HydrophobicContact CD2-CG2 4.06Å; F250-I268 HydrophobicContact CE1-CG2 4.07Å; F250-I268 HydrophobicContact CE2-CB 4.22Å; F250-I268 HydrophobicContact CE2-CG2 3.77Å; F250-I268 HydrophobicContact CG-CG2 4.3Å; F250-I268 HydrophobicContact CZ-CB 4.18Å; F250-I268 HydrophobicContact CZ-CG2 3.75Å; F250-Q270 HydrophobicContact CD1-CB 3.88Å; F250-Q270 HydrophobicContact CE1-CB 3.68Å; F250-Y280 HydrophobicContact CE2-CD2 4.07Å; F250-Y280 AromaticContact CZ-CD2 3.74Å; F250-Y280 HydrophobicContact CZ-CD2 3.74Å; F250-Y280 HydrophobicContact CZ-CE2 4.39Å
251E94.2Very high93.4Very high97 Ų9759.2 Ų59.245%0.45331%0.307SS..EExtended strand (participates in β ladder)trans-66.8155162.1-61.2-169.8173.600109.4E253 D254 V255E251-E253 PolarHBondContact O-N 2.84Å; E251-D254 HydrophobicContact CB-CB 4.11Å; E251-D254 WeakPolarHBondContact O-CB 3.44Å; E251-D254 PolarHBondContact O-N 3.44Å; E251-D254 VanDerWaalsContact O-N 3.16Å; E251-V255 PolarHBondContact O-N 2.85Å
252R91.9Very high93.2Very high107 Ų10758.3 Ų58.340%0.40430%0.304SS..THydrogen-bonded Turntrans-59.7-36.1-176.7-176.8179.1-176.2-171.30111.8S235 Q297 F298 K301S235-R252 WeakPolarHBondContact O-CB 3.44Å; S235-R252 PolarHBondContact O-N 3.39Å; R252-Q297 PolarHBondContact NE-O 2.84Å; R252-Q297 PolarHBondContact NH2-O 2.96Å; R252-F298 HydrophobicContact CB-CE1 4.32Å; R252-F298 HydrophobicContact CB-CZ 4.48Å; R252-F298 HydrophobicContact CG-CD1 4.49Å; R252-F298 HydrophobicContact CG-CE1 3.77Å; R252-F298 HydrophobicContact CG-CZ 4.11Å; R252-K301 PolarHBondContact O-NZ 3.42Å
253E91.3Very high93.3Very high134 Ų13455.5 Ų55.563%0.62628%0.283SS*.THydrogen-bonded Turntrans-70.9-37.7-179.5-63.966.3-143.500111E251 V255 K301E251-E253 PolarHBondContact O-N 2.84Å; E253-V255 PolarHBondContact O-N 3.22Å; E253-K301 PolarHBondContact O-NZ 2.99Å
254D92.5Very high93.4Very high64 Ų6453 Ų5334%0.34226%0.261SS..THydrogen-bonded Turntrans-73-22.2-175.4-82.8-2000115E251 D256 Q270E251-D254 HydrophobicContact CB-CB 4.11Å; E251-D254 WeakPolarHBondContact O-CB 3.44Å; E251-D254 PolarHBondContact O-N 3.44Å; E251-D254 VanDerWaalsContact O-N 3.16Å; D254-D256 PolarHBondContact O-N 3.48Å; D254-Q270 HydrophobicContact CB-CG 4.44Å; D254-Q270 VanDerWaalsContact CG-NE2 3.27Å; D254-Q270 WeakPolarHBondContact O-CB 3.47Å; D254-Q270 VanDerWaalsContact O-CG 3.26Å; D254-Q270 WeakPolarHBondContact O-CG 3.37Å; D254-Q270 PolarHBondContact OD2-NE2 3.44Å; D254-Q270 VanDerWaalsContact OD2-NE2 3.09Å
255V94.9Very high93.6Very high1 Ų150.6 Ų50.61%0.00624%0.242CC..  trans-68121.2176.4178.60000109.3L237 F250 E251 E253 I258 I268 F298 K301L237-V255 HydrophobicContact CD1-CG2 4.44Å; F250-V255 HydrophobicContact CB-CG2 3.63Å; F250-V255 HydrophobicContact CD1-CG2 4.29Å; F250-V255 HydrophobicContact CG-CG2 4.17Å; E251-V255 PolarHBondContact O-N 2.85Å; E253-V255 PolarHBondContact O-N 3.22Å; V255-I258 HydrophobicContact CG1-CD1 4.18Å; V255-I258 HydrophobicContact CG1-CG1 3.7Å; V255-I268 HydrophobicContact CG1-CG2 4.22Å; V255-I268 HydrophobicContact CG2-CG2 4.48Å; V255-F298 HydrophobicContact CB-CD1 4.27Å; V255-F298 HydrophobicContact CB-CE1 4.02Å; V255-F298 HydrophobicContact CG1-CD1 4.34Å; V255-F298 HydrophobicContact CG1-CE1 4.47Å; V255-F298 HydrophobicContact CG2-CD1 4.45Å; V255-F298 HydrophobicContact CG2-CE1 3.79Å; V255-F298 HydrophobicContact CG2-CZ 4.39Å; V255-K301 HydrophobicContact CB-CD 4.4Å; V255-K301 WeakPolarHBondContact O-CD 3.46Å; V255-K301 WeakPolarHBondContact O-CE 3.44Å; V255-K301 PolarHBondContact O-NZ 3.49Å
256D94.5Very high93.7Very high71 Ų7145.3 Ų45.338%0.3821%0.214SC..  trans-82.5-51.8173.4-75.4-88.9000111.3D254 R269 Q270 R271D254-D256 PolarHBondContact O-N 3.48Å; D256-R269 PolarHBondContact N-O 2.88Å; D256-Q270 WeakPolarHBondContact OD2-CA 3.23Å; D256-R271 HydrophobicContact CB-CG 4.14Å; D256-R271 WeakPolarHBondContact OD2-CB 3.41Å; D256-R271 PolarHBondContact OD2-N 3.45Å
257D94.4Very high93.7Very high8 Ų842.8 Ų42.84%0.04320%0.203CC..EExtended strand (participates in β ladder)trans-146.7143.8-17859.5-87.8000113.3K259 R269 R271 K301D257-K259 WeakPolarHBondContact OD2-CE 3.47Å; D257-R269 VanDerWaalsContact CG-NH2 3.31Å; D257-R269 PolarHBondContact N-O 2.67Å; D257-R269 PolarHBondContact O-N 3.5Å; D257-R269 IonicContact OD1-CZ 3.43Å; D257-R269 IonicContact OD1-NE 2.74Å; D257-R269 PolarHBondContact OD1-NE 2.99Å; D257-R269 IonicContact OD1-NH2 2.66Å; D257-R269 PolarHBondContact OD1-NH2 3.45Å; D257-R269 IonicContact OD2-CZ 2.84Å; D257-R269 IonicContact OD2-NE 3.61Å; D257-R269 PolarHBondContact OD2-NE 3.18Å; D257-R269 IonicContact OD2-NH2 2.76Å; D257-R269 PolarHBondContact OD2-NH2 3.2Å; D257-R269 VanDerWaalsContact OD2-NH2 3.08Å; D257-R271 IonicContact OD1-NE 2.74Å; D257-R271 IonicContact OD1-NH2 3.31Å; D257-K301 CarbonylContact C-O 3.48Å; D257-K301 VanDerWaalsContact CA-O 3.29Å; D257-K301 WeakPolarHBondContact CA-O 3.36Å
258I96.3Very high93.8Very high0 Ų039.9 Ų39.90%019%0.189CC..EExtended strand (participates in β ladder)trans-117.6113.2169.1-57.1-178.8000108.1L237 V255 S267 I268 L294 F298 K301 M302 E303L237-I258 HydrophobicContact CD1-CD1 4.13Å; V255-I258 HydrophobicContact CG1-CD1 4.18Å; V255-I258 HydrophobicContact CG1-CG1 3.7Å; I258-S267 CarbonylContact C-O 3.6Å; I258-S267 VanDerWaalsContact CA-O 3.27Å; I258-S267 WeakPolarHBondContact CA-O 3.41Å; I258-I268 HydrophobicContact CG1-CG2 4.33Å; I258-L294 HydrophobicContact CD1-CD2 4.4Å; I258-F298 HydrophobicContact CD1-CB 3.84Å; I258-F298 HydrophobicContact CD1-CD1 4.18Å; I258-F298 HydrophobicContact CD1-CD2 3.86Å; I258-F298 HydrophobicContact CD1-CE2 4.49Å; I258-F298 HydrophobicContact CD1-CG 3.7Å; I258-K301 PolarHBondContact N-O 3.47Å; I258-M302 CarbonylContact O-C 3.51Å; I258-M302 VanDerWaalsContact O-CA 3.31Å; I258-M302 WeakPolarHBondContact O-CA 3.2Å; I258-E303 PolarHBondContact O-N 3.02Å
259K94.6Very high93.8Very high65 Ų6541.3 Ų41.328%0.28319%0.193SC..EExtended strand (participates in β ladder)trans-99128.7176.8-57.2-176.4-176.4-104.60110.4D257 I266 S267 E303D257-K259 WeakPolarHBondContact OD2-CE 3.47Å; K259-I266 CarbonylContact O-C 3.54Å; K259-I266 WeakPolarHBondContact O-CA 3.2Å; K259-S267 PolarHBondContact N-O 2.87Å; K259-S267 PolarHBondContact O-N 3.21Å; K259-E303 WeakPolarHBondContact CA-O 3.2Å; K259-E303 WeakPolarHBondContact CE-OE2 3.48Å; K259-E303 HydrophobicContact CG-CB 4.3Å; K259-E303 IonicContact NZ-OE2 3.58Å; K259-E303 PolarHBondContact NZ-OE2 3.45Å
260V94.3Very high93.8Very high4 Ų438.6 Ų38.62%0.02418%0.183CC..EExtended strand (participates in β ladder)trans-97.8114.3170.7-176.30000109S262 I266 I291 M302 E303 L304 L305V260-S262 WeakPolarHBondContact CG1-O 2.82Å; V260-I266 HydrophobicContact CB-CG2 4.5Å; V260-I266 HydrophobicContact CG1-CG2 4.42Å; V260-I266 HydrophobicContact CG2-CG2 4.03Å; V260-I291 HydrophobicContact CG1-CD1 4.11Å; V260-M302 HydrophobicContact CG2-CE 3.25Å; V260-M302 HydrophobicContact CG2-CG 4.49Å; V260-E303 PolarHBondContact N-O 3.1Å; V260-L304 HydrophobicContact CB-CD2 3.65Å; V260-L304 HydrophobicContact CG1-CD2 4.15Å; V260-L304 HydrophobicContact CG2-CD2 3.65Å; V260-L305 WeakPolarHBondContact O-CB 3.47Å; V260-L305 PolarHBondContact O-N 3.07Å
261H90.8Very high93.7Very high58 Ų5844.8 Ų44.827%0.26921%0.206SC..EExtended strand (participates in β ladder)trans-88.8-38.1178.5-61.7-72.2000111.4E265 S267H261-E265 HydrophobicContact CB-CB 4.4Å; H261-E265 HydrophobicContact CB-CG 4.14Å; H261-E265 PolarHBondContact N-O 2.78Å; H261-S267 PolarHBondContact CD2-OG 2.87Å; H261-S267 PolarHBondContact NE2-OG 2.92Å
262S90.1Very high93.4Very high17 Ų1744 Ų4412%0.11920%0.201CC..EExtended strand (participates in β ladder)trans-150.4169.9174.879.40000109.9V260 Y264 E265V260-S262 WeakPolarHBondContact CG1-O 2.82Å; S262-Y264 PolarHBondContact O-N 3.14Å; S262-Y264 PolarHBondContact OG-N 3.47Å; S262-E265 PolarHBondContact N-O 2.76Å; S262-E265 PolarHBondContact O-N 3.45Å; S262-E265 VanDerWaalsContact O-O 3.06Å; S262-E265 WeakPolarHBondContact OG-CB 3.43Å; S262-E265 PolarHBondContact OG-N 2.87Å
263P91.3Very high93.2Very high33 Ų3347.4 Ų47.421%0.21423%0.226CC..THydrogen-bonded Turntrans-56.8-14.5174-25.235.1000114.6P288 I291 L311P263-P288 WeakPolarHBondContact O-CD 3.48Å; P263-P288 WeakPolarHBondContact O-CG 3.31Å; P263-I291 WeakPolarHBondContact O-CD1 3.47Å; P263-L311 HydrophobicContact CG-CD1 4Å
264Y93.8Very high93.1Very high35 Ų3545.1 Ų45.114%0.13724%0.239CC..THydrogen-bonded Turntrans-113.6-2.1-177.7-56.7-77.8000113.4I7 S31 F97 S262 I283 S284 P288I7-Y264 HydrophobicContact CB-CD2 4.43Å; I7-Y264 HydrophobicContact CD1-CD2 4.19Å; I7-Y264 HydrophobicContact CD1-CE2 4.27Å; I7-Y264 HydrophobicContact CD1-CG 4.36Å; I7-Y264 HydrophobicContact CG1-CD2 3.58Å; I7-Y264 HydrophobicContact CG1-CE2 3.79Å; I7-Y264 HydrophobicContact CG1-CG 4.13Å; I7-Y264 HydrophobicContact CG2-CD2 4.38Å; I7-Y264 HydrophobicContact CG2-CG 4.42Å; S31-Y264 WeakPolarHBondContact CB-OH 3.39Å; F97-Y264 AromaticContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CE1 4.45Å; F97-Y264 HydrophobicContact CE1-CG 4.29Å; F97-Y264 HydrophobicContact CZ-CD1 4.29Å; F97-Y264 HydrophobicContact CZ-CG 4.3Å; S262-Y264 PolarHBondContact O-N 3.14Å; S262-Y264 PolarHBondContact OG-N 3.47Å; Y264-I283 CarbonylContact O-C 3.56Å; Y264-I283 WeakPolarHBondContact O-CA 3.26Å; Y264-S284 PolarHBondContact O-N 2.8Å; Y264-P288 HydrophobicContact CD1-CG 3.92Å; Y264-P288 HydrophobicContact CE1-CG 3.65Å
265E94Very high92.9Very high17 Ų1749.2 Ų49.28%0.07925%0.253CS..EExtended strand (participates in β ladder)trans-142.4127.3-168.7-177.4168.6-132.600113.1H261 S262 R281 L282 I283H261-E265 HydrophobicContact CB-CB 4.4Å; H261-E265 HydrophobicContact CB-CG 4.14Å; H261-E265 PolarHBondContact N-O 2.78Å; S262-E265 PolarHBondContact N-O 2.76Å; S262-E265 PolarHBondContact O-N 3.45Å; S262-E265 VanDerWaalsContact O-O 3.06Å; S262-E265 WeakPolarHBondContact OG-CB 3.43Å; S262-E265 PolarHBondContact OG-N 2.87Å; E265-R281 HydrophobicContact CG-CG 4.38Å; E265-R281 IonicContact OE1-CZ 2.72Å; E265-R281 IonicContact OE1-NE 2.76Å; E265-R281 PolarHBondContact OE1-NE 2.74Å; E265-R281 IonicContact OE1-NH2 3.56Å; E265-R281 PolarHBondContact OE1-NH2 3.03Å; E265-R281 IonicContact OE2-CZ 3.92Å; E265-R281 IonicContact OE2-NE 2.98Å; E265-R281 IonicContact OE2-NH2 3.46Å; E265-R281 PolarHBondContact OE2-NH2 2.99Å; E265-L282 WeakPolarHBondContact CA-O 3.45Å; E265-I283 HydrophobicContact CB-CG1 4.23Å; E265-I283 HydrophobicContact CG-CG1 3.87Å; E265-I283 VanDerWaalsContact OE1-CD1 3.32Å; E265-I283 WeakPolarHBondContact OE1-CD1 3.35Å; E265-I283 VanDerWaalsContact OE1-CG1 3.28Å; E265-I283 WeakPolarHBondContact OE1-CG1 3.27Å
266I95.4Very high92.5Very high0 Ų053.3 Ų53.30%028%0.28CS..EExtended strand (participates in β ladder)trans-130.9161176.768.9174.3000111.3L230 K259 V260 I268 R281 L282 M287 I291 L294L230-I266 HydrophobicContact CD2-CD1 4.39Å; K259-I266 CarbonylContact O-C 3.54Å; K259-I266 WeakPolarHBondContact O-CA 3.2Å; V260-I266 HydrophobicContact CB-CG2 4.5Å; V260-I266 HydrophobicContact CG1-CG2 4.42Å; V260-I266 HydrophobicContact CG2-CG2 4.03Å; I266-I268 HydrophobicContact CD1-CD1 4.01Å; I266-I268 HydrophobicContact CD1-CG1 4.17Å; I266-I268 HydrophobicContact CG1-CG1 4.48Å; I266-R281 WeakPolarHBondContact O-CA 3.44Å; I266-L282 HydrophobicContact CD1-CD1 4.22Å; I266-L282 HydrophobicContact CG1-CB 3.97Å; I266-L282 HydrophobicContact CG1-CD1 4.27Å; I266-L282 PolarHBondContact N-O 2.94Å; I266-L282 PolarHBondContact O-N 3.38Å; I266-M287 HydrophobicContact CD1-CE 4.1Å; I266-M287 HydrophobicContact CD1-SD 3.76Å; I266-M287 HydrophobicContact CG1-CE 3.83Å; I266-M287 HydrophobicContact CG1-SD 3.97Å; I266-M287 HydrophobicContact CG2-CG 4.13Å; I266-M287 HydrophobicContact CG2-SD 4.06Å; I266-I291 HydrophobicContact CG2-CG1 4.34Å; I266-L294 HydrophobicContact CD1-CD1 3.67Å
267S95.4Very high92.3Very high24 Ų2452.5 Ų52.517%0.16828%0.275CS..EExtended strand (participates in β ladder)trans-127.1138.5167.3-63.30000110.2I258 K259 H261 Y280I258-S267 CarbonylContact C-O 3.6Å; I258-S267 VanDerWaalsContact CA-O 3.27Å; I258-S267 WeakPolarHBondContact CA-O 3.41Å; K259-S267 PolarHBondContact N-O 2.87Å; K259-S267 PolarHBondContact O-N 3.21Å; H261-S267 PolarHBondContact CD2-OG 2.87Å; H261-S267 PolarHBondContact NE2-OG 2.92Å; S267-Y280 CarbonylContact C-O 3.5Å; S267-Y280 VanDerWaalsContact CA-O 3.27Å; S267-Y280 WeakPolarHBondContact CA-O 3.44Å
268I95.7Very high92.2Very high1 Ų154 Ų541%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-123.5127.2-177.3-47.2-173000107.4L237 F250 V255 I258 I266 A279 Y280 L282L237-I268 HydrophobicContact CD1-CD1 3.73Å; L237-I268 HydrophobicContact CD1-CG2 4.28Å; F250-I268 HydrophobicContact CD1-CG2 4.32Å; F250-I268 HydrophobicContact CD2-CG2 4.06Å; F250-I268 HydrophobicContact CE1-CG2 4.07Å; F250-I268 HydrophobicContact CE2-CB 4.22Å; F250-I268 HydrophobicContact CE2-CG2 3.77Å; F250-I268 HydrophobicContact CG-CG2 4.3Å; F250-I268 HydrophobicContact CZ-CB 4.18Å; F250-I268 HydrophobicContact CZ-CG2 3.75Å; V255-I268 HydrophobicContact CG1-CG2 4.22Å; V255-I268 HydrophobicContact CG2-CG2 4.48Å; I258-I268 HydrophobicContact CG1-CG2 4.33Å; I266-I268 HydrophobicContact CD1-CD1 4.01Å; I266-I268 HydrophobicContact CD1-CG1 4.17Å; I266-I268 HydrophobicContact CG1-CG1 4.48Å; I268-A279 WeakPolarHBondContact O-CA 3.38Å; I268-Y280 PolarHBondContact N-O 2.76Å; I268-Y280 PolarHBondContact O-N 3Å; I268-L282 HydrophobicContact CD1-CD1 3.69Å; I268-L282 HydrophobicContact CG1-CD1 4.23Å
269R94.4Very high92Very high62 Ų6255.4 Ų55.423%0.23430%0.295CS..EExtended strand (participates in β ladder)trans-128.4140.1-177.1-175.2167.455.4166.6-7.3112.1D256 D257 R271 D277 M278 A279D256-R269 PolarHBondContact N-O 2.88Å; D257-R269 VanDerWaalsContact CG-NH2 3.31Å; D257-R269 PolarHBondContact N-O 2.67Å; D257-R269 PolarHBondContact O-N 3.5Å; D257-R269 IonicContact OD1-CZ 3.43Å; D257-R269 IonicContact OD1-NE 2.74Å; D257-R269 PolarHBondContact OD1-NE 2.99Å; D257-R269 IonicContact OD1-NH2 2.66Å; D257-R269 PolarHBondContact OD1-NH2 3.45Å; D257-R269 IonicContact OD2-CZ 2.84Å; D257-R269 IonicContact OD2-NE 3.61Å; D257-R269 PolarHBondContact OD2-NE 3.18Å; D257-R269 IonicContact OD2-NH2 2.76Å; D257-R269 PolarHBondContact OD2-NH2 3.2Å; D257-R269 VanDerWaalsContact OD2-NH2 3.08Å; R269-R271 HydrophobicContact CG-CG 4.43Å; R269-D277 HydrophobicContact CG-CB 4.47Å; R269-M278 CarbonylContact C-O 3.48Å; R269-M278 VanDerWaalsContact CA-O 3.32Å; R269-M278 WeakPolarHBondContact CA-O 3.47Å; R269-A279 HydrophobicContact CG-CB 4.34Å
270Q94.6Very high92Very high12 Ų1253.1 Ų53.16%0.05628%0.284CS..EExtended strand (participates in β ladder)trans-127.8125.3168.4171.9179.119.300108H248 F250 D254 D256 F272 D277 M278H248-Q270 PolarHBondContact CE1-OE1 2.61Å; H248-Q270 PolarHBondContact NE2-OE1 2.92Å; F250-Q270 HydrophobicContact CD1-CB 3.88Å; F250-Q270 HydrophobicContact CE1-CB 3.68Å; D254-Q270 HydrophobicContact CB-CG 4.44Å; D254-Q270 VanDerWaalsContact CG-NE2 3.27Å; D254-Q270 WeakPolarHBondContact O-CB 3.47Å; D254-Q270 VanDerWaalsContact O-CG 3.26Å; D254-Q270 WeakPolarHBondContact O-CG 3.37Å; D254-Q270 PolarHBondContact OD2-NE2 3.44Å; D254-Q270 VanDerWaalsContact OD2-NE2 3.09Å; D256-Q270 WeakPolarHBondContact OD2-CA 3.23Å; Q270-F272 HydrophobicContact CB-CE2 4.3Å; Q270-F272 HydrophobicContact CG-CD2 4.32Å; Q270-F272 HydrophobicContact CG-CE2 3.54Å; Q270-F272 HydrophobicContact CG-CZ 3.71Å; Q270-F272 VanDerWaalsContact NE2-CZ 3.28Å; Q270-D277 WeakPolarHBondContact O-CA 3.34Å; Q270-M278 HydrophobicContact CB-CB 4.34Å; Q270-M278 PolarHBondContact N-O 3.24Å; Q270-M278 PolarHBondContact O-N 3.16Å
271R92.7Very high92Very high130 Ų13055.7 Ų55.749%0.49129%0.293SS..  trans-94.8142.1-175.6-61.9-179.1-172.6-175.87.2109.8D256 D257 R269 D277D256-R271 HydrophobicContact CB-CG 4.14Å; D256-R271 WeakPolarHBondContact OD2-CB 3.41Å; D256-R271 PolarHBondContact OD2-N 3.45Å; D257-R271 IonicContact OD1-NE 2.74Å; D257-R271 IonicContact OD1-NH2 3.31Å; R269-R271 HydrophobicContact CG-CG 4.43Å; R271-D277 VanDerWaalsContact CA-OD1 3.31Å; R271-D277 WeakPolarHBondContact CA-OD1 3.39Å
272F88.8Confident92.3Very high80 Ų8052.9 Ų52.935%0.35128%0.281SS..  trans-126.3141.8176.1-68.3-88.3000110.6Q270 K275 D277 M278Q270-F272 HydrophobicContact CB-CE2 4.3Å; Q270-F272 HydrophobicContact CG-CD2 4.32Å; Q270-F272 HydrophobicContact CG-CE2 3.54Å; Q270-F272 HydrophobicContact CG-CZ 3.71Å; Q270-F272 VanDerWaalsContact NE2-CZ 3.28Å; F272-K275 HydrophobicContact CB-CB 3.84Å; F272-K275 VanDerWaalsContact O-O 3.1Å; F272-D277 PolarHBondContact N-OD1 2.84Å; F272-M278 HydrophobicContact CD2-CG 4.21Å; F272-M278 HydrophobicContact CE2-CB 4Å; F272-M278 HydrophobicContact CE2-CG 3.46Å; F272-M278 VanDerWaalsContact CE2-CG 3.46Å; F272-M278 HydrophobicContact CZ-CG 4.3Å
273I88.4Confident92.5Very high180 Ų18052.7 Ų52.792%0.92328%0.278SS*.SBendtrans-82.2123.5172.1-58.5174.3000108.1K275I273-K275 PolarHBondContact O-N 2.92Å
274G87.5Confident92.7Very high86 Ų8651.1 Ų51.189%0.88727%0.268SS*.SBendtrans74.91.2177.400000115.5
275K88.5Confident92.8Very high150 Ų15050.7 Ų50.765%0.65227%0.271SS*.SBendtrans-128.2152.4171.4-66.6179.4-176.7176.20109F272 I273F272-K275 HydrophobicContact CB-CB 3.84Å; F272-K275 VanDerWaalsContact O-O 3.1Å; I273-K275 PolarHBondContact O-N 2.92Å
276P87.5Confident92.8Very high86 Ų8652.4 Ų52.456%0.55828%0.279SS*.  trans-71.2136.317930.5-36.3000110.9R220R220-P276 PolarHBondContact NH2-O 2.94Å
277D90.2Very high92.8Very high54 Ų5452.4 Ų52.429%0.28928%0.279SS..  trans-49.5147.8-178.9-63.5-7.5000113.4R220 R269 Q270 R271 F272R220-D277 PolarHBondContact NE-O 3.39Å; R220-D277 PolarHBondContact NH2-O 3.14Å; R269-D277 HydrophobicContact CG-CB 4.47Å; Q270-D277 WeakPolarHBondContact O-CA 3.34Å; R271-D277 VanDerWaalsContact CA-OD1 3.31Å; R271-D277 WeakPolarHBondContact CA-OD1 3.39Å; F272-D277 PolarHBondContact N-OD1 2.84Å
278M91.5Very high92.7Very high39 Ų3953.6 Ų53.619%0.19229%0.286CS..EExtended strand (participates in β ladder)trans-91.7111.5168.8-66.9-69.782.100108.9R269 Q270 F272R269-M278 CarbonylContact C-O 3.48Å; R269-M278 VanDerWaalsContact CA-O 3.32Å; R269-M278 WeakPolarHBondContact CA-O 3.47Å; Q270-M278 HydrophobicContact CB-CB 4.34Å; Q270-M278 PolarHBondContact N-O 3.24Å; Q270-M278 PolarHBondContact O-N 3.16Å; F272-M278 HydrophobicContact CD2-CG 4.21Å; F272-M278 HydrophobicContact CE2-CB 4Å; F272-M278 HydrophobicContact CE2-CG 3.46Å; F272-M278 VanDerWaalsContact CE2-CG 3.46Å; F272-M278 HydrophobicContact CZ-CG 4.3Å
279A92.9Very high92.6Very high31 Ų3158.3 Ų58.326%0.25631%0.308SS..EExtended strand (participates in β ladder)trans-133122-177.700000110.5H219 R220 I268 R269H219-A279 PolarHBondContact CD2-O 3.14Å; R220-A279 PolarHBondContact N-O 3.44Å; I268-A279 WeakPolarHBondContact O-CA 3.38Å; R269-A279 HydrophobicContact CG-CB 4.34Å
280Y94.8Very high92.6Very high16 Ų1655.4 Ų55.46%0.06330%0.297CS..EExtended strand (participates in β ladder)trans-119.9134.1178.3-74.1-88.8000110.3I217 S218 H219 I239 M247 H248 F250 S267 I268I217-Y280 HydrophobicContact CG2-CD1 3.62Å; I217-Y280 HydrophobicContact CG2-CE1 4.15Å; S218-Y280 WeakPolarHBondContact O-CA 3.45Å; H219-Y280 HydrophobicContact CB-CD1 4.31Å; H219-Y280 HydrophobicContact CB-CE1 4.08Å; H219-Y280 AromaticContact CD2-CE1 3.9Å; H219-Y280 AromaticContact CD2-CZ 3.77Å; I239-Y280 VanDerWaalsContact CD1-CB 3.48Å; I239-Y280 HydrophobicContact CD1-CD1 3.84Å; I239-Y280 HydrophobicContact CD1-CD2 3.83Å; I239-Y280 HydrophobicContact CD1-CE2 4.5Å; I239-Y280 HydrophobicContact CD1-CG 3.43Å; I239-Y280 VanDerWaalsContact CD1-CG 3.43Å; I239-Y280 HydrophobicContact CG2-CD1 4.48Å; M247-Y280 HydrophobicContact CE-CE1 4.22Å; H248-Y280 HydrophobicContact CB-CD2 4.43Å; H248-Y280 HydrophobicContact CB-CE2 3.49Å; H248-Y280 VanDerWaalsContact CB-CE2 3.49Å; H248-Y280 AromaticContact CG-CE2 3.76Å; F250-Y280 HydrophobicContact CE2-CD2 4.07Å; F250-Y280 AromaticContact CZ-CD2 3.74Å; F250-Y280 HydrophobicContact CZ-CD2 3.74Å; F250-Y280 HydrophobicContact CZ-CE2 4.39Å; S267-Y280 CarbonylContact C-O 3.5Å; S267-Y280 VanDerWaalsContact CA-O 3.27Å; S267-Y280 WeakPolarHBondContact CA-O 3.44Å; I268-Y280 PolarHBondContact N-O 2.76Å; I268-Y280 PolarHBondContact O-N 3Å
281R94.6Very high92.7Very high58 Ų5855.7 Ų55.722%0.21930%0.299CS..EExtended strand (participates in β ladder)trans-112.1129.8171.6176175.1-172.2-179.2-4.8109.2S218 E222 E265 I266S218-R281 PolarHBondContact N-O 3.22Å; S218-R281 PolarHBondContact O-N 3.12Å; S218-R281 WeakPolarHBondContact OG-CB 3.35Å; S218-R281 PolarHBondContact OG-O 2.83Å; E222-R281 IonicContact OE1-CZ 3.3Å; E222-R281 IonicContact OE1-NH1 3.78Å; E222-R281 PolarHBondContact OE1-NH1 3.49Å; E265-R281 HydrophobicContact CG-CG 4.38Å; E265-R281 IonicContact OE1-CZ 2.72Å; E265-R281 IonicContact OE1-NE 2.76Å; E265-R281 PolarHBondContact OE1-NE 2.74Å; E265-R281 IonicContact OE1-NH2 3.56Å; E265-R281 PolarHBondContact OE1-NH2 3.03Å; E265-R281 IonicContact OE2-CZ 3.92Å; E265-R281 IonicContact OE2-NE 2.98Å; E265-R281 IonicContact OE2-NH2 3.46Å; E265-R281 PolarHBondContact OE2-NH2 2.99Å; I266-R281 WeakPolarHBondContact O-CA 3.44Å
282L95.8Very high92.7Very high0 Ų052.7 Ų52.70%030%0.296CS..EExtended strand (participates in β ladder)trans-125.9125.7-166.9-63.2167.2000109.3A215 V216 I217 L230 I239 E265 I266 I268 M287A215-L282 HydrophobicContact CB-CD2 4.33Å; V216-L282 WeakPolarHBondContact O-CA 3.36Å; I217-L282 HydrophobicContact CB-CD2 4.17Å; I217-L282 HydrophobicContact CG1-CD2 3.62Å; I217-L282 HydrophobicContact CG2-CD2 4.08Å; L230-L282 HydrophobicContact CD1-CD1 3.95Å; L230-L282 HydrophobicContact CD2-CD1 4.07Å; L230-L282 HydrophobicContact CG-CD1 4.4Å; I239-L282 HydrophobicContact CD1-CD1 4.17Å; I239-L282 HydrophobicContact CD1-CD2 4.25Å; E265-L282 WeakPolarHBondContact CA-O 3.45Å; I266-L282 HydrophobicContact CD1-CD1 4.22Å; I266-L282 HydrophobicContact CG1-CB 3.97Å; I266-L282 HydrophobicContact CG1-CD1 4.27Å; I266-L282 PolarHBondContact N-O 2.94Å; I266-L282 PolarHBondContact O-N 3.38Å; I268-L282 HydrophobicContact CD1-CD1 3.69Å; I268-L282 HydrophobicContact CG1-CD1 4.23Å; L282-M287 HydrophobicContact CB-CE 3.93Å
283I95.3Very high93Very high12 Ų1251 Ų516%0.06229%0.29CS..EExtended strand (participates in β ladder)trans-115.8130.7174.2-59.1171.4000108.6I93 F97 A215 V216 Y264 E265I93-I283 HydrophobicContact CD1-CD1 3.76Å; I93-I283 HydrophobicContact CG1-CD1 4.21Å; I93-I283 HydrophobicContact CG2-CG2 4.44Å; F97-I283 HydrophobicContact CE2-CG2 3.76Å; F97-I283 HydrophobicContact CZ-CG2 4.1Å; A215-I283 WeakPolarHBondContact CA-O 3.43Å; V216-I283 HydrophobicContact CB-CB 4.38Å; V216-I283 PolarHBondContact N-O 3.01Å; V216-I283 PolarHBondContact O-N 2.76Å; Y264-I283 CarbonylContact O-C 3.56Å; Y264-I283 WeakPolarHBondContact O-CA 3.26Å; E265-I283 HydrophobicContact CB-CG1 4.23Å; E265-I283 HydrophobicContact CG-CG1 3.87Å; E265-I283 VanDerWaalsContact OE1-CD1 3.32Å; E265-I283 WeakPolarHBondContact OE1-CD1 3.35Å; E265-I283 VanDerWaalsContact OE1-CG1 3.28Å; E265-I283 WeakPolarHBondContact OE1-CG1 3.27Å
284S95.9Very high93.3Very high0 Ų042.5 Ų42.50%025%0.247CC..  trans-152.8141.3173.6-176.10000114H96 P214 Y264 K286 M287H96-S284 WeakPolarHBondContact NE2-CA 3.21Å; H96-S284 PolarHBondContact NE2-OG 2.83Å; P214-S284 VanDerWaalsContact O-CB 3.23Å; P214-S284 WeakPolarHBondContact O-CB 3.4Å; P214-S284 PolarHBondContact O-OG 3.49Å; Y264-S284 PolarHBondContact O-N 2.8Å; S284-K286 PolarHBondContact O-N 3.44Å; S284-K286 PolarHBondContact OG-N 3.39Å; S284-M287 VanDerWaalsContact O-CB 3.24Å; S284-M287 WeakPolarHBondContact O-CB 3.14Å; S284-M287 PolarHBondContact O-N 2.63Å
285A94.1Very high93.5Very high26 Ų2641.3 Ų41.322%0.21522%0.218CC..THydrogen-bonded Turntrans-57.6-27.2165.900000113.8H96 F97 E100 P288H96-A285 PolarHBondContact NE2-N 3.31Å; F97-A285 HydrophobicContact CD1-CB 3.57Å; F97-A285 HydrophobicContact CE1-CB 3.62Å; F97-A285 HydrophobicContact CG-CB 4.32Å; F97-A285 HydrophobicContact CZ-CB 4.41Å; E100-A285 HydrophobicContact CB-CB 3.79Å; E100-A285 HydrophobicContact CG-CB 4.05Å; A285-P288 WeakPolarHBondContact O-CD 3.11Å
286K94.5Very high93.7Very high53 Ų5340 Ų4023%0.2322%0.222CC..THydrogen-bonded Turntrans-962.3-179.7-66-69.9-175.71780113.6I213 S284 P288 E289I213-K286 HydrophobicContact CB-CB 3.87Å; I213-K286 HydrophobicContact CD1-CB 4.39Å; I213-K286 HydrophobicContact CG2-CB 3.64Å; S284-K286 PolarHBondContact O-N 3.44Å; S284-K286 PolarHBondContact OG-N 3.39Å; K286-P288 VanDerWaalsContact C-N 3.32Å; K286-E289 WeakPolarHBondContact CD-OE1 3.45Å; K286-E289 IonicContact NZ-OE1 2.61Å; K286-E289 PolarHBondContact NZ-OE1 3.3Å; K286-E289 WeakPolarHBondContact O-CB 3.32Å; K286-E289 PolarHBondContact O-N 3.37Å; K286-E289 VanDerWaalsContact O-N 3.1Å
287M95.4Very high93.8Very high0 Ų037 Ų370%020%0.201CC..Hα-helixtrans-57.2-35177.9-16264.273.100114.2I213 I266 L282 S284 E289 V290 I291I213-M287 HydrophobicContact CD1-CE 4.26Å; I213-M287 HydrophobicContact CD1-SD 4.17Å; I266-M287 HydrophobicContact CD1-CE 4.1Å; I266-M287 HydrophobicContact CD1-SD 3.76Å; I266-M287 HydrophobicContact CG1-CE 3.83Å; I266-M287 HydrophobicContact CG1-SD 3.97Å; I266-M287 HydrophobicContact CG2-CG 4.13Å; I266-M287 HydrophobicContact CG2-SD 4.06Å; L282-M287 HydrophobicContact CB-CE 3.93Å; S284-M287 VanDerWaalsContact O-CB 3.24Å; S284-M287 WeakPolarHBondContact O-CB 3.14Å; S284-M287 PolarHBondContact O-N 2.63Å; M287-E289 PolarHBondContact O-N 2.8Å; M287-E289 VanDerWaalsContact O-N 3.12Å; M287-V290 WeakPolarHBondContact O-CA 3.37Å; M287-V290 WeakPolarHBondContact O-CB 3.33Å; M287-V290 PolarHBondContact O-N 2.85Å; M287-V290 HydrophobicContact SD-CB 4.26Å; M287-V290 HydrophobicContact SD-CG1 4.4Å; M287-I291 HydrophobicContact CG-CD1 4Å; M287-I291 HydrophobicContact CG-CG1 4.02Å; M287-I291 PolarHBondContact O-N 3.41Å
288P93Very high93.9Very high50 Ų5034.6 Ų34.633%0.32519%0.188SC..Hα-helixtrans-59.3-23.5175.9-26.635.5000114.7P263 Y264 A285 K286 P292P263-P288 WeakPolarHBondContact O-CD 3.48Å; P263-P288 WeakPolarHBondContact O-CG 3.31Å; Y264-P288 HydrophobicContact CD1-CG 3.92Å; Y264-P288 HydrophobicContact CE1-CG 3.65Å; A285-P288 WeakPolarHBondContact O-CD 3.11Å; K286-P288 VanDerWaalsContact C-N 3.32Å; P288-P292 VanDerWaalsContact O-CD 3.27Å; P288-P292 WeakPolarHBondContact O-CD 3.1Å
289E93.6Very high93.7Very high100 Ų10036.6 Ų36.647%0.46721%0.206SC..Hα-helixtrans-79.4-23.3174.9-58174.9-158.600111.6I211 K286 M287I211-E289 HydrophobicContact CD1-CB 3.89Å; K286-E289 WeakPolarHBondContact CD-OE1 3.45Å; K286-E289 IonicContact NZ-OE1 2.61Å; K286-E289 PolarHBondContact NZ-OE1 3.3Å; K286-E289 WeakPolarHBondContact O-CB 3.32Å; K286-E289 PolarHBondContact O-N 3.37Å; K286-E289 VanDerWaalsContact O-N 3.1Å; M287-E289 PolarHBondContact O-N 2.8Å; M287-E289 VanDerWaalsContact O-N 3.12Å
290V95.8Very high93.6Very high0 Ų045 Ų450%024%0.237CC..Hα-helixtrans-92.3-39.6-175.9176.40000112.7I211 I213 L230 V232 M287 P292 I293 L294I211-V290 HydrophobicContact CD1-CG2 4.05Å; I211-V290 HydrophobicContact CG1-CG2 4.5Å; I211-V290 HydrophobicContact CG2-CG2 3.89Å; I213-V290 HydrophobicContact CB-CG2 4.37Å; I213-V290 HydrophobicContact CD1-CB 4.32Å; I213-V290 HydrophobicContact CD1-CG2 3.43Å; I213-V290 VanDerWaalsContact CD1-CG2 3.43Å; I213-V290 HydrophobicContact CG1-CG2 3.78Å; I213-V290 HydrophobicContact CG2-CG2 3.68Å; L230-V290 HydrophobicContact CD2-CG1 4.13Å; V232-V290 HydrophobicContact CG2-CG1 3.76Å; M287-V290 WeakPolarHBondContact O-CA 3.37Å; M287-V290 WeakPolarHBondContact O-CB 3.33Å; M287-V290 PolarHBondContact O-N 2.85Å; M287-V290 HydrophobicContact SD-CB 4.26Å; M287-V290 HydrophobicContact SD-CG1 4.4Å; V290-P292 VanDerWaalsContact C-CD 3.5Å; V290-I293 WeakPolarHBondContact O-CA 3.48Å; V290-I293 WeakPolarHBondContact O-CB 3.49Å; V290-I293 PolarHBondContact O-N 3.11Å; V290-L294 HydrophobicContact CG1-CD1 3.78Å; V290-L294 HydrophobicContact CG1-CD2 4.42Å; V290-L294 HydrophobicContact CG1-CG 3.81Å; V290-L294 PolarHBondContact O-N 2.78Å
291I95.3Very high93.4Very high19 Ų1947 Ų4710%0.09725%0.246CC..Hα-helixtrans-51-47.4-176.3-71.9168000112.4V260 P263 I266 M287 I293 L294 E295 M302V260-I291 HydrophobicContact CG1-CD1 4.11Å; P263-I291 WeakPolarHBondContact O-CD1 3.47Å; I266-I291 HydrophobicContact CG2-CG1 4.34Å; M287-I291 HydrophobicContact CG-CD1 4Å; M287-I291 HydrophobicContact CG-CG1 4.02Å; M287-I291 PolarHBondContact O-N 3.41Å; I291-I293 VanDerWaalsContact C-N 3.26Å; I291-I293 PolarHBondContact O-N 3.39Å; I291-L294 PolarHBondContact O-N 2.91Å; I291-L294 VanDerWaalsContact O-N 3.15Å; I291-E295 HydrophobicContact CG2-CG 4.37Å; I291-E295 WeakPolarHBondContact O-CG 3.49Å; I291-E295 PolarHBondContact O-N 2.82Å; I291-M302 HydrophobicContact CG2-CE 3.88Å
292P93.9Very high93.2Very high67 Ų6745.6 Ų45.644%0.43524%0.242SC..Hα-helixtrans-61.3-32.3178.5-23.534.7000113.8P288 V290 V296P288-P292 VanDerWaalsContact O-CD 3.27Å; P288-P292 WeakPolarHBondContact O-CD 3.1Å; V290-P292 VanDerWaalsContact C-CD 3.5Å; P292-V296 WeakPolarHBondContact O-CG2 3.3Å; P292-V296 PolarHBondContact O-N 2.99Å
293I94.4Very high92.9Very high44 Ų4450 Ų5023%0.22626%0.263CS..Hα-helixtrans-71.6-42.1177.9-56.1175.8000109.6L210 I211 V232 V290 I291 E295 V296 Q297L210-I293 HydrophobicContact CB-CG2 4.17Å; L210-I293 HydrophobicContact CD1-CG2 3.58Å; I211-I293 HydrophobicContact CB-CD1 4.02Å; I211-I293 HydrophobicContact CD1-CD1 4.4Å; I211-I293 HydrophobicContact CG2-CD1 3.65Å; V232-I293 HydrophobicContact CG1-CG2 4.02Å; V290-I293 WeakPolarHBondContact O-CA 3.48Å; V290-I293 WeakPolarHBondContact O-CB 3.49Å; V290-I293 PolarHBondContact O-N 3.11Å; I291-I293 VanDerWaalsContact C-N 3.26Å; I291-I293 PolarHBondContact O-N 3.39Å; I293-E295 VanDerWaalsContact C-N 3.34Å; I293-V296 PolarHBondContact O-N 3.24Å; I293-Q297 PolarHBondContact O-N 2.76Å
294L94.6Very high92.2Very high1 Ų152.5 Ų52.51%0.00528%0.276CS..Hα-helixtrans-64-39.4174.6-63179.5000111.7V232 L237 I258 I266 V290 I291 V296 Q297 F298 M302V232-L294 HydrophobicContact CG1-CD2 4.3Å; V232-L294 HydrophobicContact CG2-CD2 4.27Å; L237-L294 HydrophobicContact CD1-CD2 4.29Å; L237-L294 HydrophobicContact CD2-CD2 3.68Å; I258-L294 HydrophobicContact CD1-CD2 4.4Å; I266-L294 HydrophobicContact CD1-CD1 3.67Å; V290-L294 HydrophobicContact CG1-CD1 3.78Å; V290-L294 HydrophobicContact CG1-CD2 4.42Å; V290-L294 HydrophobicContact CG1-CG 3.81Å; V290-L294 PolarHBondContact O-N 2.78Å; I291-L294 PolarHBondContact O-N 2.91Å; I291-L294 VanDerWaalsContact O-N 3.15Å; L294-V296 VanDerWaalsContact C-N 3.29Å; L294-V296 PolarHBondContact O-N 3.46Å; L294-Q297 PolarHBondContact O-N 2.92Å; L294-F298 HydrophobicContact CD2-CD2 4.02Å; L294-F298 HydrophobicContact CD2-CE2 4.12Å; L294-F298 WeakPolarHBondContact O-CA 3.02Å; L294-F298 WeakPolarHBondContact O-CB 3.32Å; L294-F298 PolarHBondContact O-N 3.2Å; L294-M302 HydrophobicContact CB-SD 4.5Å
295E92.4Very high91Very high61 Ų6156.7 Ų56.729%0.28530%0.298SS..Hα-helixtrans-56.9-43.8174.5-75.4-177.3-174.700111.1I291 I293 S299 M302 R312I291-E295 HydrophobicContact CG2-CG 4.37Å; I291-E295 WeakPolarHBondContact O-CG 3.49Å; I291-E295 PolarHBondContact O-N 2.82Å; I293-E295 VanDerWaalsContact C-N 3.34Å; E295-S299 VanDerWaalsContact O-CA 3.28Å; E295-S299 WeakPolarHBondContact O-CA 3.47Å; E295-S299 WeakPolarHBondContact O-CB 3.25Å; E295-S299 PolarHBondContact O-N 2.88Å; E295-S299 VanDerWaalsContact O-N 3.12Å; E295-M302 HydrophobicContact CB-SD 4.19Å; E295-M302 HydrophobicContact CG-CE 3.48Å; E295-M302 VanDerWaalsContact CG-CE 3.48Å; E295-M302 HydrophobicContact CG-SD 3.48Å; E295-M302 WeakPolarHBondContact CG-SD 3.18Å; E295-R312 IonicContact OE1-NH1 3.76Å; E295-R312 PolarHBondContact OE1-NH1 3.02Å; E295-R312 IonicContact OE2-NH1 3.7Å
296V91.7Very high88.9Confident122 Ų12263 Ų6374%0.73932%0.322SS*.Hα-helixtrans-68.7-42.7178.9174.10000111.8P292 I293 L294P292-V296 WeakPolarHBondContact O-CG2 3.3Å; P292-V296 PolarHBondContact O-N 2.99Å; I293-V296 PolarHBondContact O-N 3.24Å; L294-V296 VanDerWaalsContact C-N 3.29Å; L294-V296 PolarHBondContact O-N 3.46Å
297Q90.1Very high86.8Confident23 Ų2366.1 Ų66.111%0.10734%0.342CS..Hα-helixtrans-80.3-34.6-174.8-73.9-167.2-39.500114.3L210 L233 R252 I293 L294L210-Q297 HydrophobicContact CD1-CG 4.37Å; L233-Q297 PolarHBondContact O-NE2 3.44Å; L233-Q297 PolarHBondContact O-OE1 3.12Å; R252-Q297 PolarHBondContact NE-O 2.84Å; R252-Q297 PolarHBondContact NH2-O 2.96Å; I293-Q297 PolarHBondContact O-N 2.76Å; L294-Q297 PolarHBondContact O-N 2.92Å
298F91.6Very high84.5Confident4 Ų466.9 Ų66.92%0.01835%0.348CS..Hα-helixtrans-125.721.4-167.8-61.8-85.7000112.9L237 R252 V255 I258 L294 K300 K301 M302L237-F298 HydrophobicContact CD1-CE2 4.15Å; L237-F298 HydrophobicContact CD1-CZ 4.14Å; L237-F298 HydrophobicContact CD2-CE2 4.03Å; L237-F298 HydrophobicContact CD2-CZ 4.4Å; L237-F298 HydrophobicContact CG-CE2 4.08Å; L237-F298 HydrophobicContact CG-CZ 3.99Å; R252-F298 HydrophobicContact CB-CE1 4.32Å; R252-F298 HydrophobicContact CB-CZ 4.48Å; R252-F298 HydrophobicContact CG-CD1 4.49Å; R252-F298 HydrophobicContact CG-CE1 3.77Å; R252-F298 HydrophobicContact CG-CZ 4.11Å; V255-F298 HydrophobicContact CB-CD1 4.27Å; V255-F298 HydrophobicContact CB-CE1 4.02Å; V255-F298 HydrophobicContact CG1-CD1 4.34Å; V255-F298 HydrophobicContact CG1-CE1 4.47Å; V255-F298 HydrophobicContact CG2-CD1 4.45Å; V255-F298 HydrophobicContact CG2-CE1 3.79Å; V255-F298 HydrophobicContact CG2-CZ 4.39Å; I258-F298 HydrophobicContact CD1-CB 3.84Å; I258-F298 HydrophobicContact CD1-CD1 4.18Å; I258-F298 HydrophobicContact CD1-CD2 3.86Å; I258-F298 HydrophobicContact CD1-CE2 4.49Å; I258-F298 HydrophobicContact CD1-CG 3.7Å; L294-F298 HydrophobicContact CD2-CD2 4.02Å; L294-F298 HydrophobicContact CD2-CE2 4.12Å; L294-F298 WeakPolarHBondContact O-CA 3.02Å; L294-F298 WeakPolarHBondContact O-CB 3.32Å; L294-F298 PolarHBondContact O-N 3.2Å; F298-K300 VanDerWaalsContact C-N 3.25Å; F298-K300 PolarHBondContact O-N 3.36Å; F298-K301 HydrophobicContact CB-CB 4.4Å; F298-K301 HydrophobicContact CD1-CD 4.13Å; F298-K301 CarbonylContact O-C 3.55Å; F298-K301 WeakPolarHBondContact O-CA 3.38Å; F298-K301 PolarHBondContact O-N 3.02Å; F298-M302 PolarHBondContact O-N 3.01Å; F298-M302 VanDerWaalsContact O-N 3.11Å
299S88.4Confident82.3Confident82 Ų8268.2 Ų68.257%0.57335%0.352SS*.G310 helixtrans-42.4-46-176.353.70000115E295 K301 M302E295-S299 VanDerWaalsContact O-CA 3.28Å; E295-S299 WeakPolarHBondContact O-CA 3.47Å; E295-S299 WeakPolarHBondContact O-CB 3.25Å; E295-S299 PolarHBondContact O-N 2.88Å; E295-S299 VanDerWaalsContact O-N 3.12Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.16Å; S299-M302 PolarHBondContact O-N 2.99Å
300K89.8Confident80.1Confident207 Ų20768.2 Ų68.290%0.936%0.359SS*.G310 helixtrans-70.9-19.6-179.8-63.8-177.3-179.9179.50114.5F298F298-K300 VanDerWaalsContact C-N 3.25Å; F298-K300 PolarHBondContact O-N 3.36Å
301K90.7Very high78Confident58 Ų5871.7 Ų71.725%0.25238%0.377SS..G310 helixtrans-105.1-0.6-176.3-63.6173.1165-162.30111.7R252 E253 V255 D257 I258 F298 S299R252-K301 PolarHBondContact O-NZ 3.42Å; E253-K301 PolarHBondContact O-NZ 2.99Å; V255-K301 HydrophobicContact CB-CD 4.4Å; V255-K301 WeakPolarHBondContact O-CD 3.46Å; V255-K301 WeakPolarHBondContact O-CE 3.44Å; V255-K301 PolarHBondContact O-NZ 3.49Å; D257-K301 CarbonylContact C-O 3.48Å; D257-K301 VanDerWaalsContact CA-O 3.29Å; D257-K301 WeakPolarHBondContact CA-O 3.36Å; I258-K301 PolarHBondContact N-O 3.47Å; F298-K301 HydrophobicContact CB-CB 4.4Å; F298-K301 HydrophobicContact CD1-CD 4.13Å; F298-K301 CarbonylContact O-C 3.55Å; F298-K301 WeakPolarHBondContact O-CA 3.38Å; F298-K301 PolarHBondContact O-N 3.02Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.16Å
302M91.7Very high75.8Confident28 Ų2877.6 Ų77.614%0.13840%0.398CS..EExtended strand (participates in β ladder)trans-101.6126.5-172.1-169.3170.4163.900111.4I258 V260 I291 L294 E295 F298 S299 L304I258-M302 CarbonylContact O-C 3.51Å; I258-M302 VanDerWaalsContact O-CA 3.31Å; I258-M302 WeakPolarHBondContact O-CA 3.2Å; V260-M302 HydrophobicContact CG2-CE 3.25Å; V260-M302 HydrophobicContact CG2-CG 4.49Å; I291-M302 HydrophobicContact CG2-CE 3.88Å; L294-M302 HydrophobicContact CB-SD 4.5Å; E295-M302 HydrophobicContact CB-SD 4.19Å; E295-M302 HydrophobicContact CG-CE 3.48Å; E295-M302 VanDerWaalsContact CG-CE 3.48Å; E295-M302 HydrophobicContact CG-SD 3.48Å; E295-M302 WeakPolarHBondContact CG-SD 3.18Å; F298-M302 PolarHBondContact O-N 3.01Å; F298-M302 VanDerWaalsContact O-N 3.11Å; S299-M302 PolarHBondContact O-N 2.99Å; M302-L304 HydrophobicContact CE-CD2 3.62Å; M302-L304 HydrophobicContact CE-CG 4.4Å
303E89.2Confident73.4Confident94 Ų9477.9 Ų77.944%0.43940%0.401SS..EExtended strand (participates in β ladder)trans-111.1118.8176.7-63.6178.2-176.500109I258 K259 V260I258-E303 PolarHBondContact O-N 3.02Å; K259-E303 WeakPolarHBondContact CA-O 3.2Å; K259-E303 WeakPolarHBondContact CE-OE2 3.48Å; K259-E303 HydrophobicContact CG-CB 4.3Å; K259-E303 IonicContact NZ-OE2 3.58Å; K259-E303 PolarHBondContact NZ-OE2 3.45Å; V260-E303 PolarHBondContact N-O 3.1Å
304L79.4Confident71Confident64 Ų6479.2 Ų79.234%0.33542%0.419SS..EExtended strand (participates in β ladder)trans-95.5125.1174.2-68.9176000109.4V260 M302 L309V260-L304 HydrophobicContact CB-CD2 3.65Å; V260-L304 HydrophobicContact CG1-CD2 4.15Å; V260-L304 HydrophobicContact CG2-CD2 3.65Å; M302-L304 HydrophobicContact CE-CD2 3.62Å; M302-L304 HydrophobicContact CE-CG 4.4Å; L304-L309 HydrophobicContact CB-CD2 4.36Å; L304-L309 HydrophobicContact CD1-CD2 3.98Å
305L71Confident68.6Low88 Ų8890.3 Ų90.346%0.46146%0.461SS..  trans-70.8138170.5-156.588.1000109.9V260 D307 A308V260-L305 WeakPolarHBondContact O-CB 3.47Å; V260-L305 PolarHBondContact O-N 3.07Å; L305-D307 PolarHBondContact O-N 3.38Å; L305-A308 WeakPolarHBondContact O-CB 3.45Å; L305-A308 PolarHBondContact O-N 3.37Å
306E51Low66.2Low158 Ų15892.7 Ų92.774%0.73848%0.48SS*.Hα-helixtrans-55.2-29.4-172.8-75.3-168.5147.200114.4A308 L309E306-A308 PolarHBondContact O-N 3.05Å; E306-L309 HydrophobicContact CG-CD1 4.34Å; E306-L309 WeakPolarHBondContact O-CB 3.47Å; E306-L309 PolarHBondContact O-N 2.86Å
307D50.3Low63.2Low119 Ų11991.5 Ų91.564%0.63648%0.477SS*.Hα-helixtrans-64.5-26177.7-66.9-27.4000113.4L305L305-D307 PolarHBondContact O-N 3.38Å
308A47.7Very low60.3Low16 Ų1695.2 Ų95.213%0.13251%0.506CS..Hα-helixtrans-77.2-25.1173.800000112.5L305 E306 L311 R312L305-A308 WeakPolarHBondContact O-CB 3.45Å; L305-A308 PolarHBondContact O-N 3.37Å; E306-A308 PolarHBondContact O-N 3.05Å; A308-L311 PolarHBondContact O-N 3.09Å; A308-R312 PolarHBondContact O-N 3.19Å
309L46.8Very low57.7Low77 Ų77101.6 Ų101.640%0.40355%0.547SS..Hα-helixtrans-71.5-34.7179.6-60.2174.2000111.8L304 E306 L311 R312 S313L304-L309 HydrophobicContact CB-CD2 4.36Å; L304-L309 HydrophobicContact CD1-CD2 3.98Å; E306-L309 HydrophobicContact CG-CD1 4.34Å; E306-L309 WeakPolarHBondContact O-CB 3.47Å; E306-L309 PolarHBondContact O-N 2.86Å; L309-L311 VanDerWaalsContact C-N 3.29Å; L309-L311 PolarHBondContact O-N 3.11Å; L309-R312 PolarHBondContact O-N 3.4Å; L309-S313 PolarHBondContact O-N 2.86Å
310V47.1Very low54.9Low101 Ų101102 Ų10261%0.61256%0.556SS**Hα-helixtrans-65.6-32.2177.8-1760000111.8S313V310-S313 PolarHBondContact O-OG 3.12Å; V310-S313 VanDerWaalsContact O-OG 3.07Å
311L51.5Low52.3Low72 Ų7299.8 Ų99.838%0.37755%0.549SS..Hα-helixtrans-76.1-29.9175.2-68.4172.8000112.7V5 P263 A308 L309V5-L311 HydrophobicContact CB-CD1 4.39Å; V5-L311 HydrophobicContact CG1-CD1 3.55Å; V5-L311 HydrophobicContact CG2-CD1 3.88Å; V5-L311 HydrophobicContact CG2-CD2 3.63Å; V5-L311 HydrophobicContact CG2-CG 4.37Å; P263-L311 HydrophobicContact CG-CD1 4Å; A308-L311 PolarHBondContact O-N 3.09Å; L309-L311 VanDerWaalsContact C-N 3.29Å; L309-L311 PolarHBondContact O-N 3.11Å
312R48.2Very low49.6Very low143 Ų143105.1 Ų105.154%0.5457%0.572SS.*Hα-helixtrans-73.1-40177.3-176.9173.3158.5157.3-4.2111.7E295 A308 L309 A314 R315 T316E295-R312 IonicContact OE1-NH1 3.76Å; E295-R312 PolarHBondContact OE1-NH1 3.02Å; E295-R312 IonicContact OE2-NH1 3.7Å; A308-R312 PolarHBondContact O-N 3.19Å; L309-R312 PolarHBondContact O-N 3.4Å; R312-A314 VanDerWaalsContact C-N 3.28Å; R312-A314 PolarHBondContact O-N 3.42Å; R312-R315 PolarHBondContact O-N 2.88Å; R312-T316 PolarHBondContact O-OG1 2.87Å; R312-T316 VanDerWaalsContact O-OG1 3.06Å
313S43.9Very low46.7Very low73 Ų73109.5 Ų109.551%0.5161%0.605SS.*Hα-helixtrans-67.1-26.817864.30000113.5L309 V310 R315L309-S313 PolarHBondContact O-N 2.86Å; V310-S313 PolarHBondContact O-OG 3.12Å; V310-S313 VanDerWaalsContact O-OG 3.07Å; S313-R315 VanDerWaalsContact C-N 3.3Å; S313-R315 PolarHBondContact O-N 3.48Å
314A43.5Very low44Very low73 Ų73110 Ų11060%0.60362%0.618SS**THydrogen-bonded Turntrans-73.3-16.9175.800000114.1R312R312-A314 VanDerWaalsContact C-N 3.28Å; R312-A314 PolarHBondContact O-N 3.42Å
315R45.8Very low42.1Very low233 Ų233112.4 Ų112.488%0.87964%0.64SS**THydrogen-bonded Turntrans-94.9-15.5-178.8-150.7178.9-145.71727.4113.5R312 S313R312-R315 PolarHBondContact O-N 2.88Å; S313-R315 VanDerWaalsContact C-N 3.3Å; S313-R315 PolarHBondContact O-N 3.48Å
316T40Very low40.4Very low112 Ų112112.9 Ų112.969%0.68765%0.647SS**SBendtrans-112.75.8-175.723.10000114.8R312 S318R312-T316 PolarHBondContact O-OG1 2.87Å; R312-T316 VanDerWaalsContact O-OG1 3.06Å; T316-S318 PolarHBondContact O-N 2.84Å; T316-S318 VanDerWaalsContact O-N 3.1Å
317S29.4Very low39.7Very low97 Ų97117 Ų11768%0.67866%0.656SS**  trans-84.681.3177.153.10000112.8
318S30.2Very low39Very low101 Ų101120.7 Ų120.771%0.70667%0.669SS**  trans-93.7130.9146.659.70000108.3T316 A320T316-S318 PolarHBondContact O-N 2.84Å; T316-S318 VanDerWaalsContact O-N 3.1Å; S318-A320 PolarHBondContact O-N 3.3Å
319P36.4Very low38.3Very low137 Ų137124.9 Ų124.989%0.8970%0.703SS**  trans-82.2105.5-171.932.4-30.4000110.1
320A30.2Very low37.5Very low92 Ų92126.1 Ų126.176%0.7673%0.725SS**  trans-149.598.3156.600000108.8S318S318-A320 PolarHBondContact O-N 3.3Å
321E35.1Very low37Very low159 Ų159127.6 Ų127.674%0.74374%0.739SS**  trans30.4124.4152.8-72.5-174.4109.500122
322K33.2Very low36.1Very low171 Ų171128 Ų12874%0.74376%0.761SS**  trans80.597.4138.5-69.3165.6178.5147.40118.2
323S31.8Very low35.2Very low119 Ų119129.5 Ų129.583%0.83278%0.779SS**  32.7114.3128.6-168.20000118.3
324C31Very low34.7Very low105 Ų105135.2 Ų135.271%0.70980%0.8SS**  -164.4126.4122.6-148.90000112.1V326C324-V326 HydrophobicContact CB-CG2 4.12Å; C324-V326 PolarHBondContact O-N 3.07Å
325S39.8Very low33.9Very low115 Ų115135 Ų13580%0.80480%0.804SS**  trans-68.4110.3160.446.60000110.1
326V35.1Very low33.1Very low98 Ų98134.9 Ų134.959%0.59480%0.804SS**  trans-139.994.1173.1-175.80000109.8C324C324-V326 HydrophobicContact CB-CG2 4.12Å; C324-V326 PolarHBondContact O-N 3.07Å
327W36.1Very low32.6Very low245 Ų245135.1 Ų135.193%0.92881%0.805SS**  trans-143.164.9157.9-72.5113.1000110.6
328H35.7Very low32.8Very low196 Ų196138.9 Ų138.991%0.90782%0.817SS**  trans-152.485157-76.7-58000109.2
329A33.3Very low32.7Very low104 Ų104142.7 Ų142.786%0.8682%0.823SS**  trans-173.480.3157.300000110.9
330A31.1Very low32.2Very low103 Ų103146.2 Ų146.285%0.85182%0.819SS**  trans-162.958.4154.600000110.7
331S35.7Very low32Very low131 Ų131150.2 Ų150.292%0.91682%0.822SS**SBendtrans-144.4111.8160.3-86.70000107.8
332G32.8Very low32.1Very low81 Ų81147 Ų14784%0.83582%0.815SS**  trans125.469.2166.900000115.1
333L29.7Very low32Very low175 Ų175144.8 Ų144.892%0.91682%0.817SS**  trans-130.479.2153.3-16868.8000108.9
334M33.7Very low31.8Very low192 Ų192144 Ų14495%0.94682%0.818SS**  trans-105.9126.5152.4-91.5-128.5170.700107.1
335G26.6Very low31.6Very low68 Ų68142.9 Ų142.970%0.70183%0.825SS**  trans-70159.6-169.300000114.3
336R29.1Very low30.9Very low232 Ų232143.9 Ų143.988%0.87582%0.821SS**  trans-159.1118.1142.8-116.8168.9100.5153.81.2111.1
337T29.8Very low30.6Very low117 Ų117146.2 Ų146.272%0.71883%0.826SS**  trans49.1104.8135.848.50000118.6H339T337-H339 PolarHBondContact O-N 2.87Å
338L33.1Very low30.2Very low175 Ų175142.9 Ų142.992%0.91682%0.82SS**  trans-17.2119.7142.5-69.5154.7000114
339H27.5Very low29.7Very low181 Ų181136.7 Ų136.784%0.83881%0.81SS**  trans-137.3114.5135.7-155.8-29.8000108.5T337T337-H339 PolarHBondContact O-N 2.87Å
340R25.7Very low29.4Very low212 Ų212138.7 Ų138.780%0.881%0.811SS**  trans-94.8127.6171.2174.2170.4-176.692.3-0.8106.8
341E26.3Very low29.3Very low176 Ų176137.6 Ų137.682%0.82280%0.802SS**  trans-165.7136.6134.1-154156.9160.600110.8
342P37.7Very low28.9Very low92 Ų92139 Ų13960%0.59780%0.799SS**  trans-101.3170.8179.938.8-29.9000112.6
343P30.4Very low28.7Very low123 Ų123143.3 Ų143.380%0.79980%0.797SS**  -135.6129.5114.918.91.5000111.2
344A27.2Very low28.7Very low102 Ų102142.7 Ų142.784%0.84379%0.793SS**  76117.786.600000112.9
345G26.4Very low28.4Very low83 Ų83140.9 Ų140.986%0.85678%0.783SS**  trans144.171.416900000113.3
346D26Very low28.4Very low136 Ų136144 Ų14473%0.72779%0.789SS**  trans-72.3139.5168.5-128.516.4000109.9
347Q28.8Very low28.4Very low147 Ų147137.8 Ų137.869%0.68778%0.78SS**  trans57.8137.8145.3-55.3-175.181.700117.2
348E27.6Very low28.5Very low174 Ų174140 Ų14081%0.81379%0.787SS**  cis-176.5147.837-152.8152.6157.900108.7
349G24.9Very low28.8Very low67 Ų67137.5 Ų137.569%0.69178%0.781SS**  trans71.1111.9147.600000118.6
350T26.8Very low29.1Very low145 Ų145133.4 Ų133.489%0.8978%0.779SS**  -170.7123.2114.7-71.60000110.9
351A29.1Very low29.6Very low80 Ų80131.7 Ų131.766%0.66179%0.785SS**  trans3.9126157.400000120.8
352L28.5Very low30.4Very low162 Ų162127.8 Ų127.885%0.84878%0.777SS**  33.4101.3121.7-63.6166.1000117.3
353H28.2Very low31Very low171 Ų171131.5 Ų131.579%0.79279%0.786SS**  trans-138.5104.2142.5-158.6-178.6000108.5
354L29.3Very low32.1Very low161 Ų161128.4 Ų128.484%0.84377%0.77SS**  trans-9596.9-176.4-153.6138.1000107.5
355Q27Very low33Very low154 Ų154129.4 Ų129.472%0.7276%0.762SS**  trans-158.993.8174.3-127-178.13.600111.9
356T26.5Very low34.2Very low135 Ų135130 Ų13083%0.82875%0.749SS**  trans-173.3100.1148.8-2.60000107.2
357S29.6Very low35.5Very low100 Ų100130.2 Ų130.270%0.69975%0.746SS**  82102100.267.70000114
358L31.8Very low36.7Very low165 Ų165130.4 Ų130.486%0.86475%0.746SS**  trans-52.5137.8153.5-103.487.5000109.7A360L358-A360 PolarHBondContact O-N 2.96Å
359P39.4Very low37.8Very low122 Ų122127.9 Ų127.979%0.79274%0.738SS**  trans-75.5111.3155.2-9.526.6000108.5L361P359-L361 PolarHBondContact O-N 3.11Å
360A34.5Very low39.1Very low94 Ų94129 Ų12978%0.77773%0.732SS**PPolyproline II helixtrans-62.6124.7164.900000109L358L358-A360 PolarHBondContact O-N 2.96Å
361L36.2Very low40.4Very low177 Ų177128.5 Ų128.593%0.92772%0.719SS**PPolyproline II helixtrans-66.3127.3166.7-75.5157.8000108.1P359P359-L361 PolarHBondContact O-N 3.11Å
362S41.7Very low41.4Very low94 Ų94132.2 Ų132.266%0.65772%0.723SS**PPolyproline II helixtrans-72.4132.7-175.8-173.80000110.9A364S362-A364 PolarHBondContact O-N 2.95Å
363E51.3Low42.5Very low170 Ų170130.4 Ų130.479%0.79471%0.713SS**THydrogen-bonded Turntrans-70.718.4-175.3-145.1168-171.100114.1
364A53.5Low43.7Very low57 Ų57129 Ų12947%0.47171%0.707SS.*THydrogen-bonded Turntrans-98.9-23.2-176.300000114S362S362-A364 PolarHBondContact O-N 2.95Å
365D47Very low44.6Very low123 Ų123127.9 Ų127.966%0.65870%0.702SS**THydrogen-bonded Turntrans-94.8-3.1-174.3-61.8-14.6000113.3
366T51Low45.5Very low96 Ų96124.7 Ų124.759%0.58970%0.702SS**THydrogen-bonded Turntrans-93-7.4176.746.50000113.8T370T366-T370 PolarHBondContact O-OG1 3.34Å
367Q52.3Low46.5Very low141 Ų141124.8 Ų124.866%0.65970%0.697SS**SBendtrans-92.2-24179.4-73.5-176.6-10.200113.8T370Q367-T370 PolarHBondContact O-OG1 2.75Å
368E53.7Low46.9Very low150 Ų150127.1 Ų127.170%0.70170%0.696SS**Hα-helixtrans-74.3-33.4175.6-69.5-170.1160.200112.4T370 Q371 E372E368-T370 PolarHBondContact O-N 3.48Å; E368-Q371 PolarHBondContact O-N 3.47Å; E368-E372 PolarHBondContact O-N 3.03Å
369L52.7Low47.2Very low122 Ų122126.5 Ų126.564%0.63969%0.693SS**Hα-helixtrans-76.5-20.7-178.2-70171.1000114.2
370T51.1Low47.6Very low91 Ų91126 Ų12656%0.55869%0.69SS**Hα-helixtrans-83.8-24.9172.939.20000112.9T366 Q367 E368 E374T366-T370 PolarHBondContact O-OG1 3.34Å; Q367-T370 PolarHBondContact O-OG1 2.75Å; E368-T370 PolarHBondContact O-N 3.48Å; T370-E374 PolarHBondContact O-N 3.3Å
371Q55Low47.6Very low134 Ų134131 Ų13163%0.62670%0.697SS**Hα-helixtrans-84.7-26.9-176.2-156.4154.152.700112.9E368E368-Q371 PolarHBondContact O-N 3.47Å
372E50Low47.3Very low157 Ų157126 Ų12673%0.73469%0.688SS**Hα-helixtrans-74.3-29.2168.7-76-161.9148.600113.1E368E368-E372 PolarHBondContact O-N 3.03Å
373L50.7Low47.3Very low124 Ų124127.2 Ų127.265%0.64969%0.694SS**Hα-helixtrans-78.2-26.3179.8-119.2137.6000113.1
374E53Low47.2Very low142 Ų142123.7 Ų123.766%0.66469%0.686SS**Hα-helixtrans-80.4-29.6177.4-160.1175.8-174.400112.7T370 A376T370-E374 PolarHBondContact O-N 3.3Å; E374-A376 VanDerWaalsContact C-N 3.35Å; E374-A376 PolarHBondContact O-N 3.11Å
375N49.2Very low46Very low138 Ų138129.6 Ų129.674%0.73870%0.701SS**THydrogen-bonded Turntrans-78.4-13177.3-83.4-29.1000114.4
376A45.7Very low45.3Very low87 Ų87130.3 Ų130.372%0.71970%0.704SS**THydrogen-bonded Turntrans-89.8-4176.300000114E374E374-A376 VanDerWaalsContact C-N 3.35Å; E374-A376 PolarHBondContact O-N 3.11Å
377L46.4Very low44.6Very low136 Ų136131.9 Ų131.971%0.71271%0.713SS**SBendtrans-117.910.1-170.5-98159.1000116.2
378H39.7Very low43.6Very low150 Ų150136.7 Ų136.769%0.69473%0.726SS**  trans-133.6112.1169.9-80.271.1000108
379L37.6Very low42.6Very low151 Ų151137.2 Ų137.279%0.79173%0.733SS**  173.2177.974.4-144.383000108.8
380P46.6Very low42.2Very low112 Ų112136.1 Ų136.173%0.72773%0.732SS**  -112.2169.8-74.931.4-14.5000113.8
381Q35.2Very low41.4Very low198 Ų198136.7 Ų136.793%0.92574%0.74SS**  trans-71.2147.1164.1-66.2-161.4-8.200113.2
382G30.7Very low40.8Very low72 Ų72137.6 Ų137.674%0.74275%0.749SS**  trans176.3115.5156.400000113.2
383P40.3Very low41Very low121 Ų121136 Ų13679%0.78675%0.752SS**  trans-106.2-168.616341.4-30.6000109.6
384P50.5Low40.3Very low96 Ų96139.9 Ų139.962%0.62376%0.759SS**  cis-126.2178.9-10.832.3-12.3000112.2
385F28.7Very low40.7Very low181 Ų181141.8 Ų141.879%0.79478%0.784SS**  trans159.6136.4130.9-90.3-69.9000114
386L31.9Very low40.2Very low138 Ų138142 Ų14272%0.72379%0.786SS**  trans7992.8144.4-70.3160.5000121.5
387V35.2Very low40Very low128 Ų128144.8 Ų144.878%0.77679%0.79SS**  16.6110.3116.1-176.90000116
388W31.5Very low39.6Very low243 Ų243145.3 Ų145.392%0.9279%0.794SS**  trans-154.3103.8150.4-97.883.3000111.5
389L32.5Very low39.6Very low161 Ų161145.1 Ų145.184%0.84380%0.8SS**  trans-124.2148.1140.7-97.1159.7000103.6
390P45.1Very low39.7Very low98 Ų98144.7 Ų144.764%0.63680%0.801SS**  cis-136.717539.229.4-3.9000112.2
391S34.1Very low39.3Very low104 Ų104146.9 Ų146.973%0.72781%0.806SS**  170.6149.979.3-75.10000110.7
392L41.5Very low39.6Very low152 Ų152143.2 Ų143.280%0.79680%0.797SS**  trans-52.7165162.7-75147.9000113.1
393P55.3Low40.2Very low125 Ų125148.7 Ų148.781%0.81280%0.801SS**  -142.114796.432.5-14.8000115.4
394Y36.2Very low40.2Very low204 Ų204151 Ų15180%0.880%0.803SS**  trans-77.2159150.7-111.7-96.7000108.1
395P60.3Low39.3Very low182 Ų182156 Ų156100%1.18282%0.819SS**  -120.3055.517.53.6000116

Retrieved 395 of 395 residues in 188.1 ms (Link to these results)

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