A0A087X0B7_HUMAN Loading...

Synaptosomal-associated protein 47

AlphaFold DB (A0A2R9A994), UniProt , Accession A0A087X0B7, Species HUMAN (Homo sapiens, Human), Gene SNAP47, Length 419 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
1M29.7Very low72.9Confident233 Ų23383 Ų83100%1.14843%0.434SS*.  096.30-65.4-55.4148.900108.1R3M1-R3 PolarHBondContact O-N 3.28Å
2S39Very low74.6Confident111 Ų11176.3 Ų76.378%0.77640%0.399SS*.  trans-66.9129.7174.8-164.30000108.2D4S2-D4 PolarHBondContact O-N 3.06Å
3R49.1Very low75.9Confident227 Ų22772 Ų7286%0.85738%0.378SS*.  trans-79.1101.8169.6-75.5-178.8170.3-177-3.8106.7M1 V5M1-R3 PolarHBondContact O-N 3.28Å; R3-V5 PolarHBondContact O-N 2.92Å; R3-V5 VanDerWaalsContact O-N 3.07Å
4D65.9Low77.2Confident76 Ų7668.3 Ų68.341%0.40636%0.357SS..  trans-57.5115.4171.3-80-19.1000108.8S2 C6 T30S2-D4 PolarHBondContact O-N 3.06Å; D4-C6 PolarHBondContact O-N 2.94Å; D4-T30 HydrophobicContact CB-CG2 4.12Å
5V77.9Confident78.1Confident41 Ų4166.9 Ų66.925%0.24835%0.346CS..  trans-70.9125.4-177179.20000108.1R3 I7 L311R3-V5 PolarHBondContact O-N 2.92Å; R3-V5 VanDerWaalsContact O-N 3.07Å; V5-I7 PolarHBondContact O-N 3.02Å; V5-L311 HydrophobicContact CG1-CD1 3.87Å; V5-L311 HydrophobicContact CG2-CD1 3.89Å; V5-L311 HydrophobicContact CG2-CD2 3.93Å
6C85.1Confident78.6Confident64 Ų6464.5 Ų64.543%0.43233%0.333SS..EExtended strand (participates in β ladder)trans-67.1122.6171.7-170.70000108.6D4 T9D4-C6 PolarHBondContact O-N 2.94Å; C6-T9 PolarHBondContact SG-OG1 3.04Å; C6-T9 VanDerWaalsContact SG-OG1 3.36Å
7I87.4Confident78.9Confident18 Ų1866.8 Ų66.89%0.09234%0.342CS..EExtended strand (participates in β ladder)trans-87.8-45.8-177.4-57.6-166.9000109.8V5 L29 F97 Y264V5-I7 PolarHBondContact O-N 3.02Å; I7-L29 PolarHBondContact N-O 3.31Å; I7-F97 HydrophobicContact CD1-CD1 3.74Å; I7-F97 HydrophobicContact CD1-CE1 3.23Å; I7-F97 HydrophobicContact CD1-CZ 3.72Å; I7-F97 HydrophobicContact CG2-CE1 4.27Å; I7-F97 HydrophobicContact CG2-CE2 3.98Å; I7-F97 HydrophobicContact CG2-CZ 3.65Å; I7-Y264 HydrophobicContact CB-CD2 4.31Å; I7-Y264 HydrophobicContact CD1-CD1 4.15Å; I7-Y264 HydrophobicContact CD1-CD2 3.6Å; I7-Y264 HydrophobicContact CD1-CE1 4.21Å; I7-Y264 HydrophobicContact CD1-CE2 3.65Å; I7-Y264 HydrophobicContact CD1-CG 3.85Å; I7-Y264 HydrophobicContact CG1-CD2 3.55Å; I7-Y264 HydrophobicContact CG1-CE2 3.7Å; I7-Y264 HydrophobicContact CG1-CG 4.21Å; I7-Y264 HydrophobicContact CG2-CD2 4.17Å; I7-Y264 HydrophobicContact CG2-CG 4.23Å
8H89Confident79Confident48 Ų4870.1 Ų70.122%0.22237%0.369CS..EExtended strand (participates in β ladder)trans-155.6144.1178-153.7-40.5000109.6W10 S28 L29H8-W10 HydrophobicContact CB-CH2 3.92Å; H8-W10 HydrophobicContact CB-CZ2 3.54Å; H8-W10 AromaticContact CD2-CE2 3.73Å; H8-W10 AromaticContact CD2-CZ2 3.67Å; H8-W10 AromaticContact CD2-NE1 3.45Å; H8-W10 PolarHBondContact CD2-NE1 2.71Å; H8-W10 AromaticContact CE1-CD1 3.46Å; H8-W10 VanDerWaalsContact CE1-CD1 3.46Å; H8-W10 AromaticContact CE1-CE2 3.9Å; H8-W10 AromaticContact CE1-NE1 3.06Å; H8-W10 PolarHBondContact CE1-NE1 3.47Å; H8-W10 AromaticContact CG-CE2 3.45Å; H8-W10 VanDerWaalsContact CG-CE2 3.45Å; H8-W10 AromaticContact CG-CZ2 3.5Å; H8-W10 VanDerWaalsContact CG-CZ2 3.5Å; H8-W10 AromaticContact CG-NE1 3.42Å; H8-W10 AromaticContact ND1-CD1 3.57Å; H8-W10 AromaticContact ND1-CE2 3.55Å; H8-W10 AromaticContact ND1-NE1 3.16Å; H8-W10 PolarHBondContact ND1-NE1 3.26Å; H8-W10 VanDerWaalsContact ND1-NE1 3.16Å; H8-W10 AromaticContact NE2-CE2 3.97Å; H8-W10 AromaticContact NE2-NE1 3.19Å; H8-W10 PolarHBondContact NE2-NE1 3.03Å; H8-W10 VanDerWaalsContact NE2-NE1 3.19Å; H8-S28 WeakPolarHBondContact O-CA 3.33Å; H8-L29 PolarHBondContact N-O 3.33Å; H8-L29 PolarHBondContact O-N 2.91Å
9T91.8Very high79.1Confident58 Ų5873.7 Ų73.736%0.35638%0.381SS..EExtended strand (participates in β ladder)trans-117.2139.5167.8-64.40000109.5C6 Q26 L27 S28C6-T9 PolarHBondContact SG-OG1 3.04Å; C6-T9 VanDerWaalsContact SG-OG1 3.36Å; T9-Q26 HydrophobicContact CG2-CB 3.65Å; T9-Q26 HydrophobicContact CG2-CG 4.23Å; T9-L27 CarbonylContact C-O 3.51Å; T9-L27 WeakPolarHBondContact CA-O 3.23Å; T9-S28 PolarHBondContact OG1-OG 2.93Å
10W93.7Very high79.5Confident2 Ų279.9 Ų79.91%0.00840%0.399CS..EExtended strand (participates in β ladder)trans-129.7131.7176.9-56-73.4000111H8 C12 L27 L29 V90 I93 I94H8-W10 HydrophobicContact CB-CH2 3.92Å; H8-W10 HydrophobicContact CB-CZ2 3.54Å; H8-W10 AromaticContact CD2-CE2 3.73Å; H8-W10 AromaticContact CD2-CZ2 3.67Å; H8-W10 AromaticContact CD2-NE1 3.45Å; H8-W10 PolarHBondContact CD2-NE1 2.71Å; H8-W10 AromaticContact CE1-CD1 3.46Å; H8-W10 VanDerWaalsContact CE1-CD1 3.46Å; H8-W10 AromaticContact CE1-CE2 3.9Å; H8-W10 AromaticContact CE1-NE1 3.06Å; H8-W10 PolarHBondContact CE1-NE1 3.47Å; H8-W10 AromaticContact CG-CE2 3.45Å; H8-W10 VanDerWaalsContact CG-CE2 3.45Å; H8-W10 AromaticContact CG-CZ2 3.5Å; H8-W10 VanDerWaalsContact CG-CZ2 3.5Å; H8-W10 AromaticContact CG-NE1 3.42Å; H8-W10 AromaticContact ND1-CD1 3.57Å; H8-W10 AromaticContact ND1-CE2 3.55Å; H8-W10 AromaticContact ND1-NE1 3.16Å; H8-W10 PolarHBondContact ND1-NE1 3.26Å; H8-W10 VanDerWaalsContact ND1-NE1 3.16Å; H8-W10 AromaticContact NE2-CE2 3.97Å; H8-W10 AromaticContact NE2-NE1 3.19Å; H8-W10 PolarHBondContact NE2-NE1 3.03Å; H8-W10 VanDerWaalsContact NE2-NE1 3.19Å; W10-C12 PolarHBondContact O-N 3.38Å; W10-L27 HydrophobicContact CE3-CD2 4.33Å; W10-L27 HydrophobicContact CE3-CG 4.36Å; W10-L27 PolarHBondContact N-O 3.34Å; W10-L27 PolarHBondContact O-N 3.25Å; W10-L29 HydrophobicContact CH2-CB 3.88Å; W10-L29 HydrophobicContact CH2-CD2 3.87Å; W10-L29 HydrophobicContact CZ3-CB 3.74Å; W10-L29 HydrophobicContact CZ3-CD2 4.46Å; W10-V90 HydrophobicContact CB-CG2 4.11Å; W10-V90 HydrophobicContact CD2-CB 4.28Å; W10-V90 HydrophobicContact CD2-CG1 3.68Å; W10-V90 HydrophobicContact CD2-CG2 3.82Å; W10-V90 HydrophobicContact CE3-CG1 3.56Å; W10-V90 HydrophobicContact CG-CG1 4.23Å; W10-V90 HydrophobicContact CG-CG2 3.59Å; W10-V90 HydrophobicContact CH2-CG1 4.25Å; W10-V90 HydrophobicContact CZ2-CG1 4.38Å; W10-V90 HydrophobicContact CZ3-CG1 3.85Å; W10-I93 HydrophobicContact CH2-CB 4.14Å; W10-I93 HydrophobicContact CH2-CG2 3.85Å; W10-I93 HydrophobicContact CZ2-CB 3.88Å; W10-I93 HydrophobicContact CZ2-CD1 3.85Å; W10-I93 HydrophobicContact CZ2-CG1 4.47Å; W10-I93 HydrophobicContact CZ2-CG2 3.78Å; W10-I94 HydrophobicContact CH2-CD1 4.44Å; W10-I94 HydrophobicContact CH2-CG1 3.82Å; W10-I94 HydrophobicContact CZ3-CD1 3.88Å; W10-I94 HydrophobicContact CZ3-CG1 3.71Å
11P93.5Very high80Confident35 Ų3582 Ų8223%0.22740%0.402CS..EExtended strand (participates in β ladder)trans-73.3129.2172.229.1-31.7000109.7G25 Q26 R84P11-G25 WeakPolarHBondContact CA-O 3.34Å; P11-Q26 VanDerWaalsContact CA-OE1 3.24Å; P11-R84 HydrophobicContact CG-CB 4.15Å; P11-R84 PolarHBondContact O-N 2.88Å
12C92.9Very high82.8Confident3 Ų376.6 Ų76.62%0.0237%0.369CS..EExtended strand (participates in β ladder)trans-153.7-177.8179.680.80000111.5W10 G25 F36 S81 L83W10-C12 PolarHBondContact O-N 3.38Å; C12-G25 PolarHBondContact N-O 3.14Å; C12-G25 PolarHBondContact O-N 3.06Å; C12-F36 VanDerWaalsContact SG-CE2 3.56Å; C12-S81 WeakPolarHBondContact CB-O 3.36Å; C12-L83 HydrophobicContact CB-CD2 3.54Å; C12-L83 HydrophobicContact CB-CG 3.89Å
13T92.3Very high85.4Confident20 Ų2072 Ų7212%0.12334%0.336CS..EExtended strand (participates in β ladder)trans-114.2144.6168.256.80000110.6V23 T24 F80 S81T13-V23 CarbonylContact C-O 3.52Å; T13-V23 VanDerWaalsContact CA-O 3.23Å; T13-V23 WeakPolarHBondContact CA-O 3.25Å; T13-T24 HydrophobicContact CG2-CG2 4.41Å; T13-F80 CarbonylContact O-C 3.42Å; T13-F80 VanDerWaalsContact O-CA 3.3Å; T13-F80 WeakPolarHBondContact O-CA 3.17Å; T13-S81 PolarHBondContact N-O 2.82Å; T13-S81 PolarHBondContact O-N 2.97Å; T13-S81 PolarHBondContact OG1-O 3.29Å
14Y92.8Very high87.5Confident20 Ų2065.2 Ų65.28%0.07832%0.32CS..EExtended strand (participates in β ladder)trans-114.9139.3175.7176.4-114.2000110.8L16 W22 V23 F36 V46 H78 W79 F80Y14-L16 HydrophobicContact CD1-CD2 4.13Å; Y14-L16 HydrophobicContact CD1-CG 4.27Å; Y14-L16 HydrophobicContact CE1-CD2 3.81Å; Y14-L16 HydrophobicContact CE1-CG 4.33Å; Y14-W22 CarbonylContact O-C 3.56Å; Y14-W22 WeakPolarHBondContact O-CA 3.36Å; Y14-V23 PolarHBondContact N-O 3.14Å; Y14-V23 PolarHBondContact O-N 3.44Å; Y14-F36 VanDerWaalsContact CB-CE1 3.44Å; Y14-F36 HydrophobicContact CD1-CD1 4.22Å; Y14-F36 HydrophobicContact CD1-CE1 4.47Å; Y14-F36 HydrophobicContact CG-CD1 4.09Å; Y14-F36 HydrophobicContact CG-CE1 4.3Å; Y14-F36 HydrophobicContact CG-CG 4.38Å; Y14-V46 HydrophobicContact CD1-CG2 4.16Å; Y14-V46 HydrophobicContact CE1-CG2 3.41Å; Y14-V46 VanDerWaalsContact CE1-CG2 3.41Å; Y14-V46 HydrophobicContact CE2-CG2 4.12Å; Y14-V46 VanDerWaalsContact CZ-CG2 3.42Å; Y14-V46 WeakPolarHBondContact OH-CG2 3.48Å; Y14-H78 HydrophobicContact CE2-CB 3.95Å; Y14-H78 AromaticContact CE2-ND1 3.9Å; Y14-H78 AromaticContact CZ-ND1 3.8Å; Y14-H78 PolarHBondContact OH-ND1 3.04Å; Y14-W79 WeakPolarHBondContact CA-O 3.37Å; Y14-W79 VanDerWaalsContact CD2-O 3.23Å; Y14-W79 WeakPolarHBondContact CD2-O 3.41Å; Y14-F80 AromaticContact CD2-CD1 3.81Å; Y14-F80 HydrophobicContact CD2-CD1 3.81Å; Y14-F80 AromaticContact CD2-CE1 3.42Å; Y14-F80 HydrophobicContact CD2-CE1 3.42Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.42Å; Y14-F80 AromaticContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CE2-CE1 4.12Å; Y14-F80 HydrophobicContact CE2-CZ 4.08Å; Y14-F80 HydrophobicContact CG-CE1 4.15Å
15Y90.9Very high88.8Confident48 Ų4861.6 Ų61.619%0.18830%0.301CS..EExtended strand (participates in β ladder)trans-86.2114.4175.2-167.3-112000111.4E17 R20 W22 W79Y15-E17 WeakPolarHBondContact CE1-OE2 3.46Å; Y15-E17 PolarHBondContact O-N 3.13Å; Y15-R20 WeakPolarHBondContact OH-CA 3.45Å; Y15-R20 WeakPolarHBondContact OH-CB 3.29Å; Y15-W22 AromaticContact CD2-CD2 3.94Å; Y15-W22 HydrophobicContact CD2-CD2 3.94Å; Y15-W22 AromaticContact CD2-CE2 3.68Å; Y15-W22 HydrophobicContact CD2-CG 4.18Å; Y15-W22 HydrophobicContact CD2-CZ2 4.09Å; Y15-W22 AromaticContact CD2-NE1 3.76Å; Y15-W22 HydrophobicContact CG-CZ2 4.42Å; Y15-W79 PolarHBondContact N-O 2.95Å
16L87.3Confident89.6Confident28 Ų2862.1 Ų62.115%0.14730%0.301CS..EExtended strand (participates in β ladder)trans-85.595.9170.4-76.4174000110.1Y14 P18 K19 R20 R21 V23 L45Y14-L16 HydrophobicContact CD1-CD2 4.13Å; Y14-L16 HydrophobicContact CD1-CG 4.27Å; Y14-L16 HydrophobicContact CE1-CD2 3.81Å; Y14-L16 HydrophobicContact CE1-CG 4.33Å; L16-P18 VanDerWaalsContact C-CD 3.44Å; L16-K19 HydrophobicContact CB-CB 4.29Å; L16-K19 HydrophobicContact CD1-CD 4.35Å; L16-K19 CarbonylContact O-C 3.42Å; L16-K19 PolarHBondContact O-N 3.29Å; L16-R20 WeakPolarHBondContact O-CA 3.42Å; L16-R20 PolarHBondContact O-N 3.08Å; L16-R21 PolarHBondContact N-O 3.04Å; L16-R21 PolarHBondContact O-N 3.07Å; L16-V23 HydrophobicContact CD1-CB 4.49Å; L16-V23 HydrophobicContact CD1-CG2 3.52Å; L16-V23 HydrophobicContact CG-CG2 4.17Å; L16-L45 HydrophobicContact CD1-CD1 4.17Å; L16-L45 HydrophobicContact CD2-CD1 4.32Å; L16-L45 HydrophobicContact CG-CD1 4.46Å
17E82.3Confident90Very high104 Ų10459.1 Ų59.149%0.48628%0.28SS..G310 helixtrans-47.7-47.6174.6-163.364.9-126.200113.3Y15 K19 R20Y15-E17 WeakPolarHBondContact CE1-OE2 3.46Å; Y15-E17 PolarHBondContact O-N 3.13Å; E17-K19 PolarHBondContact O-N 2.92Å; E17-K19 VanDerWaalsContact O-N 3.13Å; E17-R20 WeakPolarHBondContact O-CG 3.44Å; E17-R20 PolarHBondContact O-N 3.37Å; E17-R20 VanDerWaalsContact O-N 3.11Å
18P80.8Confident90.4Very high126 Ų12658.7 Ų58.782%0.81828%0.279SS*.G310 helixtrans-66.7-20.3-177.3-20.234.1000114.3L16L16-P18 VanDerWaalsContact C-CD 3.44Å
19K81.7Confident90.6Very high138 Ų13856.4 Ų56.460%0.627%0.268SS*.G310 helixtrans-112.94.5178.8-64-176.7-178.6175.40112.2L16 E17 R21L16-K19 HydrophobicContact CB-CB 4.29Å; L16-K19 HydrophobicContact CD1-CD 4.35Å; L16-K19 CarbonylContact O-C 3.42Å; L16-K19 PolarHBondContact O-N 3.29Å; E17-K19 PolarHBondContact O-N 2.92Å; E17-K19 VanDerWaalsContact O-N 3.13Å; K19-R21 HydrophobicContact CB-CG 3.92Å; K19-R21 WeakPolarHBondContact O-CB 3.19Å; K19-R21 PolarHBondContact O-N 3.31Å
20R86.9Confident90.6Very high197 Ų19754.1 Ų54.174%0.74325%0.254SS*.THydrogen-bonded Turntrans39.338.6-174.7-66.7-173.8170.9-179.2-1.6115Y15 L16 E17Y15-R20 WeakPolarHBondContact OH-CA 3.45Å; Y15-R20 WeakPolarHBondContact OH-CB 3.29Å; L16-R20 WeakPolarHBondContact O-CA 3.42Å; L16-R20 PolarHBondContact O-N 3.08Å; E17-R20 WeakPolarHBondContact O-CG 3.44Å; E17-R20 PolarHBondContact O-N 3.37Å; E17-R20 VanDerWaalsContact O-N 3.11Å
21R89.4Confident90.2Very high126 Ų12655.5 Ų55.548%0.47526%0.264SS..EExtended strand (participates in β ladder)trans-134.4148.2-172.475.3-176.3-166.51747.7112.5L16 K19 V23L16-R21 PolarHBondContact N-O 3.04Å; L16-R21 PolarHBondContact O-N 3.07Å; K19-R21 HydrophobicContact CB-CG 3.92Å; K19-R21 WeakPolarHBondContact O-CB 3.19Å; K19-R21 PolarHBondContact O-N 3.31Å; R21-V23 HydrophobicContact CG-CG2 4.15Å
22W89.8Confident89.9Confident119 Ų11958 Ų5845%0.45128%0.276SS..EExtended strand (participates in β ladder)trans-77.9140.5166.8-64.894.8000110.4Y14 Y15 W79 S81Y14-W22 CarbonylContact O-C 3.56Å; Y14-W22 WeakPolarHBondContact O-CA 3.36Å; Y15-W22 AromaticContact CD2-CD2 3.94Å; Y15-W22 HydrophobicContact CD2-CD2 3.94Å; Y15-W22 AromaticContact CD2-CE2 3.68Å; Y15-W22 HydrophobicContact CD2-CG 4.18Å; Y15-W22 HydrophobicContact CD2-CZ2 4.09Å; Y15-W22 AromaticContact CD2-NE1 3.76Å; Y15-W22 HydrophobicContact CG-CZ2 4.42Å; W22-W79 HydrophobicContact CH2-CB 4.01Å; W22-W79 HydrophobicContact CZ3-CB 4.39Å; W22-S81 VanDerWaalsContact CZ3-CB 3.45Å
23V92.2Very high89.9Confident13 Ų1358.5 Ų58.58%0.07928%0.279CS..EExtended strand (participates in β ladder)trans-127.4132175177.20000109T13 Y14 L16 R21 F36 T38 L45T13-V23 CarbonylContact C-O 3.52Å; T13-V23 VanDerWaalsContact CA-O 3.23Å; T13-V23 WeakPolarHBondContact CA-O 3.25Å; Y14-V23 PolarHBondContact N-O 3.14Å; Y14-V23 PolarHBondContact O-N 3.44Å; L16-V23 HydrophobicContact CD1-CB 4.49Å; L16-V23 HydrophobicContact CD1-CG2 3.52Å; L16-V23 HydrophobicContact CG-CG2 4.17Å; R21-V23 HydrophobicContact CG-CG2 4.15Å; V23-F36 WeakPolarHBondContact O-CZ 3.44Å; V23-T38 WeakPolarHBondContact CG1-OG1 3.39Å; V23-L45 HydrophobicContact CB-CD1 4.48Å; V23-L45 HydrophobicContact CG1-CD1 4.09Å
24T93.4Very high90Very high85 Ų8557.6 Ų57.652%0.52127%0.273SS..EExtended strand (participates in β ladder)trans-79141.7177.4-41.50000110.9T13 D39T13-T24 HydrophobicContact CG2-CG2 4.41Å; T24-D39 WeakPolarHBondContact CG2-OD2 3.34Å; T24-D39 PolarHBondContact O-N 3.11Å; T24-D39 VanDerWaalsContact O-N 3.14Å
25G93.6Very high90.1Very high0 Ų060.9 Ų60.90%029%0.285CS..EExtended strand (participates in β ladder)trans-178.6-165.2-177.400000113.1P11 C12 F36 M37 D39P11-G25 WeakPolarHBondContact CA-O 3.34Å; C12-G25 PolarHBondContact N-O 3.14Å; C12-G25 PolarHBondContact O-N 3.06Å; G25-F36 VanDerWaalsContact CA-CZ 3.43Å; G25-M37 CarbonylContact C-O 3.53Å; G25-M37 WeakPolarHBondContact CA-O 3.47Å; G25-D39 WeakPolarHBondContact CA-OD1 3.31Å; G25-D39 PolarHBondContact N-OD2 3.41Å
26Q94.3Very high90.2Very high52 Ų5258.6 Ų58.624%0.24328%0.277CS..EExtended strand (participates in β ladder)trans-116.1124.7-177.2-55-52.1-43.800110.2T9 P11 F36 M37 D39T9-Q26 HydrophobicContact CG2-CB 3.65Å; T9-Q26 HydrophobicContact CG2-CG 4.23Å; P11-Q26 VanDerWaalsContact CA-OE1 3.24Å; Q26-F36 WeakPolarHBondContact O-CA 3.39Å; Q26-M37 PolarHBondContact N-O 3.08Å; Q26-M37 PolarHBondContact O-N 3.19Å; Q26-D39 PolarHBondContact NE2-OD1 3.35Å; Q26-D39 VanDerWaalsContact NE2-OD1 3.08Å
27L94.9Very high90.5Very high2 Ų260 Ų601%0.0128%0.283CS..EExtended strand (participates in β ladder)trans-91.3110.5168.5-173.665.7000108.7T9 W10 L34 R35 F36 F80 L83 V90 I94T9-L27 CarbonylContact C-O 3.51Å; T9-L27 WeakPolarHBondContact CA-O 3.23Å; W10-L27 HydrophobicContact CE3-CD2 4.33Å; W10-L27 HydrophobicContact CE3-CG 4.36Å; W10-L27 PolarHBondContact N-O 3.34Å; W10-L27 PolarHBondContact O-N 3.25Å; L27-L34 HydrophobicContact CD1-CD1 3.98Å; L27-L34 HydrophobicContact CD1-CD2 3.93Å; L27-L34 HydrophobicContact CD1-CG 3.72Å; L27-L34 HydrophobicContact CD2-CD1 4.42Å; L27-L34 HydrophobicContact CD2-CD2 4.49Å; L27-L34 HydrophobicContact CG-CD1 4.02Å; L27-L34 HydrophobicContact CG-CG 4.32Å; L27-R35 CarbonylContact C-O 3.57Å; L27-R35 WeakPolarHBondContact CA-O 3.31Å; L27-F36 HydrophobicContact CB-CD2 4.39Å; L27-F36 HydrophobicContact CD1-CB 4.34Å; L27-F80 HydrophobicContact CD1-CD1 4.08Å; L27-F80 HydrophobicContact CD1-CE1 3.67Å; L27-F80 HydrophobicContact CD1-CZ 4.03Å; L27-F80 HydrophobicContact CD2-CD1 4.33Å; L27-F80 HydrophobicContact CD2-CG 4.43Å; L27-L83 HydrophobicContact CD2-CD2 4.12Å; L27-V90 HydrophobicContact CD2-CG1 4.29Å; L27-I94 HydrophobicContact CD2-CD1 3.93Å
28S93.9Very high91Very high9 Ų955.3 Ų55.36%0.06326%0.261CS..EExtended strand (participates in β ladder)trans-104.5127.2177.5-63.40000110.8H8 T9 R35H8-S28 WeakPolarHBondContact O-CA 3.33Å; T9-S28 PolarHBondContact OG1-OG 2.93Å; S28-R35 PolarHBondContact N-O 3.46Å; S28-R35 PolarHBondContact O-N 3.43Å
29L93.9Very high91.3Very high0 Ų053.6 Ų53.60%025%0.245CC..EExtended strand (participates in β ladder)trans-94.7131.2170.3178.265.6000109.7I7 H8 W10 L34 L50 I93 I94 F97I7-L29 PolarHBondContact N-O 3.31Å; H8-L29 PolarHBondContact N-O 3.33Å; H8-L29 PolarHBondContact O-N 2.91Å; W10-L29 HydrophobicContact CH2-CB 3.88Å; W10-L29 HydrophobicContact CH2-CD2 3.87Å; W10-L29 HydrophobicContact CZ3-CB 3.74Å; W10-L29 HydrophobicContact CZ3-CD2 4.46Å; L29-L34 HydrophobicContact CB-CD1 4.1Å; L29-L34 HydrophobicContact CD1-CD1 3.98Å; L29-L50 HydrophobicContact CD1-CD1 3.99Å; L29-L50 HydrophobicContact CD1-CD2 3.93Å; L29-L50 HydrophobicContact CD1-CG 4.46Å; L29-I93 HydrophobicContact CD2-CG2 3.92Å; L29-I94 HydrophobicContact CD2-CG1 4.49Å; L29-F97 HydrophobicContact CD2-CB 4.23Å; L29-F97 HydrophobicContact CD2-CD2 3.65Å; L29-F97 HydrophobicContact CD2-CE2 4.25Å; L29-F97 HydrophobicContact CD2-CG 3.99Å
30T91.2Very high91.2Very high10 Ų1051.3 Ų51.36%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-112.8175.2165.664.10000109.3D4 L32 S33D4-T30 HydrophobicContact CB-CG2 4.12Å; T30-L32 PolarHBondContact O-N 3.01Å; T30-S33 PolarHBondContact N-O 2.86Å; T30-S33 WeakPolarHBondContact OG1-CA 3.49Å; T30-S33 PolarHBondContact OG1-N 3.37Å; T30-S33 PolarHBondContact OG1-O 3.24Å; T30-S33 PolarHBondContact OG1-OG 2.79Å
31S86.1Confident90.8Very high31 Ų3145.9 Ų45.922%0.21724%0.236CC..SBendtrans-61.1-24176.750.10000114.5
32L87.7Confident90.4Very high88 Ų8842.7 Ų42.746%0.46124%0.242SC..SBendtrans-127-14.8-173-63.9177.1000114.6T30 P49 L50 L101T30-L32 PolarHBondContact O-N 3.01Å; L32-P49 CarbonylContact O-C 3.59Å; L32-P49 WeakPolarHBondContact O-CA 3.44Å; L32-L50 PolarHBondContact O-N 3.45Å; L32-L101 HydrophobicContact CD2-CD1 4Å
33S92.3Very high90.2Very high13 Ų1342.7 Ų42.79%0.09125%0.247CC..EExtended strand (participates in β ladder)trans-145.3154.8-175.470.80000113.6T30 F48T30-S33 PolarHBondContact N-O 2.86Å; T30-S33 WeakPolarHBondContact OG1-CA 3.49Å; T30-S33 PolarHBondContact OG1-N 3.37Å; T30-S33 PolarHBondContact OG1-O 3.24Å; T30-S33 PolarHBondContact OG1-OG 2.79Å; S33-F48 WeakPolarHBondContact CA-O 3.35Å; S33-F48 WeakPolarHBondContact CB-O 3.44Å
34L94.1Very high90Very high1 Ų145.9 Ų45.91%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-111.8134.2170.2-167.173000109.1L27 L29 S47 F48 L50 I70 I94L27-L34 HydrophobicContact CD1-CD1 3.98Å; L27-L34 HydrophobicContact CD1-CD2 3.93Å; L27-L34 HydrophobicContact CD1-CG 3.72Å; L27-L34 HydrophobicContact CD2-CD1 4.42Å; L27-L34 HydrophobicContact CD2-CD2 4.49Å; L27-L34 HydrophobicContact CG-CD1 4.02Å; L27-L34 HydrophobicContact CG-CG 4.32Å; L29-L34 HydrophobicContact CB-CD1 4.1Å; L29-L34 HydrophobicContact CD1-CD1 3.98Å; L34-S47 WeakPolarHBondContact O-CA 3.26Å; L34-F48 HydrophobicContact CB-CD2 4.22Å; L34-F48 HydrophobicContact CB-CE2 3.76Å; L34-F48 HydrophobicContact CB-CZ 4.35Å; L34-F48 HydrophobicContact CD2-CE2 3.84Å; L34-F48 HydrophobicContact CD2-CZ 3.87Å; L34-F48 HydrophobicContact CG-CE2 4.38Å; L34-F48 PolarHBondContact N-O 3.06Å; L34-F48 PolarHBondContact O-N 3.13Å; L34-L50 HydrophobicContact CB-CD2 4.17Å; L34-I70 HydrophobicContact CD2-CD1 3.29Å; L34-I94 HydrophobicContact CD1-CD1 3.93Å; L34-I94 HydrophobicContact CD1-CG1 4.23Å; L34-I94 HydrophobicContact CD2-CD1 4.18Å; L34-I94 HydrophobicContact CD2-CG2 4.5Å
35R94.6Very high89.8Confident88 Ų8844.7 Ų44.733%0.33225%0.253SS..EExtended strand (participates in β ladder)trans-134.1135.3-172-179.8-175.4-69.4-172.53.6111L27 S28 M37 I44 V46L27-R35 CarbonylContact C-O 3.57Å; L27-R35 WeakPolarHBondContact CA-O 3.31Å; S28-R35 PolarHBondContact N-O 3.46Å; S28-R35 PolarHBondContact O-N 3.43Å; R35-M37 HydrophobicContact CG-CG 4.14Å; R35-I44 HydrophobicContact CG-CD1 4.48Å; R35-I44 HydrophobicContact CG-CG1 4.24Å; R35-I44 HydrophobicContact CG-CG2 3.78Å; R35-V46 CarbonylContact C-O 3.58Å; R35-V46 WeakPolarHBondContact CA-O 3.47Å
36F94.1Very high89.6Confident1 Ų145.6 Ų45.60%0.00426%0.258CS..EExtended strand (participates in β ladder)trans-113.2123.3169.6-175.4-95.3000111.2C12 Y14 V23 G25 Q26 L27 L45 V46 F80C12-F36 VanDerWaalsContact SG-CE2 3.56Å; Y14-F36 VanDerWaalsContact CB-CE1 3.44Å; Y14-F36 HydrophobicContact CD1-CD1 4.22Å; Y14-F36 HydrophobicContact CD1-CE1 4.47Å; Y14-F36 HydrophobicContact CG-CD1 4.09Å; Y14-F36 HydrophobicContact CG-CE1 4.3Å; Y14-F36 HydrophobicContact CG-CG 4.38Å; V23-F36 WeakPolarHBondContact O-CZ 3.44Å; G25-F36 VanDerWaalsContact CA-CZ 3.43Å; Q26-F36 WeakPolarHBondContact O-CA 3.39Å; L27-F36 HydrophobicContact CB-CD2 4.39Å; L27-F36 HydrophobicContact CD1-CB 4.34Å; F36-L45 HydrophobicContact CD1-CB 4.26Å; F36-L45 HydrophobicContact CD1-CD1 4.34Å; F36-L45 HydrophobicContact CE1-CD1 4.15Å; F36-L45 PolarHBondContact O-N 2.99Å; F36-V46 HydrophobicContact CB-CB 4.39Å; F36-V46 PolarHBondContact N-O 2.99Å; F36-V46 PolarHBondContact O-N 2.85Å; F36-F80 HydrophobicContact CB-CE1 4.08Å; F36-F80 HydrophobicContact CD2-CD1 4.38Å; F36-F80 HydrophobicContact CD2-CE1 4.17Å; F36-F80 HydrophobicContact CG-CE1 4.28Å
37M93.3Very high89.5Confident58 Ų5846.2 Ų46.229%0.28627%0.268SS..EExtended strand (participates in β ladder)trans-111.1132.9176.4-62.4-177.9-6000109.5G25 Q26 R35 E43 I44G25-M37 CarbonylContact C-O 3.53Å; G25-M37 WeakPolarHBondContact CA-O 3.47Å; Q26-M37 PolarHBondContact N-O 3.08Å; Q26-M37 PolarHBondContact O-N 3.19Å; R35-M37 HydrophobicContact CG-CG 4.14Å; M37-E43 WeakPolarHBondContact CA-O 3.29Å; M37-I44 HydrophobicContact CG-CG1 3.93Å; M37-I44 HydrophobicContact SD-CG1 4.37Å
38T92.4Very high89.4Confident4 Ų446.3 Ų46.33%0.02527%0.269CS..EExtended strand (participates in β ladder)trans-82.6136.6178.61770000111.7V23 S40 T41 G42 E43 L45V23-T38 WeakPolarHBondContact CG1-OG1 3.39Å; T38-S40 PolarHBondContact O-N 3.09Å; T38-S40 PolarHBondContact OG1-N 3.28Å; T38-S40 PolarHBondContact OG1-OG 3.07Å; T38-T41 WeakPolarHBondContact CG2-OG1 3.35Å; T38-G42 WeakPolarHBondContact O-CA 3.48Å; T38-G42 PolarHBondContact O-N 3Å; T38-E43 PolarHBondContact N-O 3.36Å; T38-L45 HydrophobicContact CG2-CD1 4.01Å; T38-L45 HydrophobicContact CG2-CD2 4.1Å; T38-L45 HydrophobicContact CG2-CG 3.9Å
39D87.7Confident89.3Confident91 Ų9148.8 Ų48.849%0.48729%0.285SS..THydrogen-bonded Turntrans-64.9-22.2175.9-61-34.2000111.5T24 G25 Q26T24-D39 WeakPolarHBondContact CG2-OD2 3.34Å; T24-D39 PolarHBondContact O-N 3.11Å; T24-D39 VanDerWaalsContact O-N 3.14Å; G25-D39 WeakPolarHBondContact CA-OD1 3.31Å; G25-D39 PolarHBondContact N-OD2 3.41Å; Q26-D39 PolarHBondContact NE2-OD1 3.35Å; Q26-D39 VanDerWaalsContact NE2-OD1 3.08Å
40S80.1Confident89.2Confident90 Ų9048.8 Ų48.863%0.62929%0.285SS*.THydrogen-bonded Turntrans-79.3-31-172.568.10000115.6T38T38-S40 PolarHBondContact O-N 3.09Å; T38-S40 PolarHBondContact OG1-N 3.28Å; T38-S40 PolarHBondContact OG1-OG 3.07Å
41T77.3Confident89.1Confident83 Ų8350.5 Ų50.551%0.50930%0.297SS..THydrogen-bonded Turntrans-129.7-7.2-178.3570000113T38 E43T38-T41 WeakPolarHBondContact CG2-OG1 3.35Å; T41-E43 VanDerWaalsContact CB-OE2 3.29Å; T41-E43 WeakPolarHBondContact CB-OE2 3.48Å; T41-E43 PolarHBondContact O-N 3.19Å; T41-E43 PolarHBondContact OG1-OE2 2.94Å
42G80.6Confident89.4Confident59 Ų5949.7 Ų49.761%0.60829%0.291SS*.  trans69.52.2-173.200000114T38T38-G42 WeakPolarHBondContact O-CA 3.48Å; T38-G42 PolarHBondContact O-N 3Å
43E87.3Confident89.7Confident118 Ų11845.8 Ų45.855%0.55127%0.271SS*.  trans-81.7151.4-176.6-65169.4136.700112M37 T38 T41 L45M37-E43 WeakPolarHBondContact CA-O 3.29Å; T38-E43 PolarHBondContact N-O 3.36Å; T41-E43 VanDerWaalsContact CB-OE2 3.29Å; T41-E43 WeakPolarHBondContact CB-OE2 3.48Å; T41-E43 PolarHBondContact O-N 3.19Å; T41-E43 PolarHBondContact OG1-OE2 2.94Å; E43-L45 PolarHBondContact O-N 3.48Å
44I88.1Confident89.7Confident81 Ų8148.9 Ų48.942%0.41529%0.289SS..EExtended strand (participates in β ladder)trans-79.3109.1172.6-59.4169.7000107.9R35 M37 V46R35-I44 HydrophobicContact CG-CD1 4.48Å; R35-I44 HydrophobicContact CG-CG1 4.24Å; R35-I44 HydrophobicContact CG-CG2 3.78Å; M37-I44 HydrophobicContact CG-CG1 3.93Å; M37-I44 HydrophobicContact SD-CG1 4.37Å; I44-V46 WeakPolarHBondContact CG2-O 3.49Å
45L87.9Confident89.6Confident60 Ų6052.2 Ų52.231%0.31431%0.305SS..EExtended strand (participates in β ladder)trans-83.7-29.1177.1-62.3-176.5000112.5L16 V23 F36 T38 E43L16-L45 HydrophobicContact CD1-CD1 4.17Å; L16-L45 HydrophobicContact CD2-CD1 4.32Å; L16-L45 HydrophobicContact CG-CD1 4.46Å; V23-L45 HydrophobicContact CB-CD1 4.48Å; V23-L45 HydrophobicContact CG1-CD1 4.09Å; F36-L45 HydrophobicContact CD1-CB 4.26Å; F36-L45 HydrophobicContact CD1-CD1 4.34Å; F36-L45 HydrophobicContact CE1-CD1 4.15Å; F36-L45 PolarHBondContact O-N 2.99Å; T38-L45 HydrophobicContact CG2-CD1 4.01Å; T38-L45 HydrophobicContact CG2-CD2 4.1Å; T38-L45 HydrophobicContact CG2-CG 3.9Å; E43-L45 PolarHBondContact O-N 3.48Å
46V90.2Very high89.5Confident19 Ų1948.8 Ų48.812%0.11529%0.293CS..EExtended strand (participates in β ladder)trans-145.6136.8178.71790000109.1Y14 R35 F36 I44 F48Y14-V46 HydrophobicContact CD1-CG2 4.16Å; Y14-V46 HydrophobicContact CE1-CG2 3.41Å; Y14-V46 VanDerWaalsContact CE1-CG2 3.41Å; Y14-V46 HydrophobicContact CE2-CG2 4.12Å; Y14-V46 VanDerWaalsContact CZ-CG2 3.42Å; Y14-V46 WeakPolarHBondContact OH-CG2 3.48Å; R35-V46 CarbonylContact C-O 3.58Å; R35-V46 WeakPolarHBondContact CA-O 3.47Å; F36-V46 HydrophobicContact CB-CB 4.39Å; F36-V46 PolarHBondContact N-O 2.99Å; F36-V46 PolarHBondContact O-N 2.85Å; I44-V46 WeakPolarHBondContact CG2-O 3.49Å; V46-F48 HydrophobicContact CG1-CD1 3.43Å; V46-F48 VanDerWaalsContact CG1-CD1 3.43Å; V46-F48 HydrophobicContact CG1-CE1 3.48Å; V46-F48 VanDerWaalsContact CG1-CE1 3.48Å
47S92.1Very high89.5Confident64 Ų6453.2 Ų53.245%0.44831%0.312SS..EExtended strand (participates in β ladder)trans-151.2117.7170.2-1730000108.6L34L34-S47 WeakPolarHBondContact O-CA 3.26Å
48F92.1Very high89.4Confident4 Ų455 Ų552%0.01832%0.318CS..EExtended strand (participates in β ladder)trans-133.7147.4177.748.3-108.1000111.6S33 L34 V46 I53 I70 E72 H78S33-F48 WeakPolarHBondContact CA-O 3.35Å; S33-F48 WeakPolarHBondContact CB-O 3.44Å; L34-F48 HydrophobicContact CB-CD2 4.22Å; L34-F48 HydrophobicContact CB-CE2 3.76Å; L34-F48 HydrophobicContact CB-CZ 4.35Å; L34-F48 HydrophobicContact CD2-CE2 3.84Å; L34-F48 HydrophobicContact CD2-CZ 3.87Å; L34-F48 HydrophobicContact CG-CE2 4.38Å; L34-F48 PolarHBondContact N-O 3.06Å; L34-F48 PolarHBondContact O-N 3.13Å; V46-F48 HydrophobicContact CG1-CD1 3.43Å; V46-F48 VanDerWaalsContact CG1-CD1 3.43Å; V46-F48 HydrophobicContact CG1-CE1 3.48Å; V46-F48 VanDerWaalsContact CG1-CE1 3.48Å; F48-I53 HydrophobicContact CD2-CD1 4.37Å; F48-I53 HydrophobicContact CD2-CG1 4.04Å; F48-I53 HydrophobicContact CE2-CD1 3.89Å; F48-I53 HydrophobicContact CE2-CG1 3.85Å; F48-I70 HydrophobicContact CE2-CD1 4.42Å; F48-I70 HydrophobicContact CE2-CG2 3.85Å; F48-I70 HydrophobicContact CZ-CB 4.19Å; F48-I70 HydrophobicContact CZ-CD1 4.08Å; F48-I70 HydrophobicContact CZ-CG2 3.76Å; F48-E72 WeakPolarHBondContact CB-OE1 3.21Å; F48-H78 AromaticContact CD1-CD2 3.91Å; F48-H78 AromaticContact CD1-NE2 3.82Å; F48-H78 HydrophobicContact CE1-CB 4.28Å; F48-H78 AromaticContact CE1-CD2 3.43Å; F48-H78 VanDerWaalsContact CE1-CD2 3.43Å; F48-H78 WeakPolarHBondContact CE1-CD2 3.38Å; F48-H78 AromaticContact CE1-CG 3.68Å; F48-H78 AromaticContact CE1-NE2 3.8Å
49P92.5Very high89.1Confident62 Ų6257 Ų5740%0.40333%0.327SS..EExtended strand (participates in β ladder)trans-60.8146.1171.6-21.933.6000112L32 S51 S52L32-P49 CarbonylContact O-C 3.59Å; L32-P49 WeakPolarHBondContact O-CA 3.44Å; P49-S51 WeakPolarHBondContact CB-OG 3.38Å; P49-S51 PolarHBondContact O-N 3.46Å; P49-S52 PolarHBondContact O-N 2.81Å; P49-S52 PolarHBondContact O-OG 2.87Å
50L91.4Very high88.5Confident0 Ų056.1 Ų56.10%033%0.333CS..G310 helixtrans-61.2-27.7169.8-65.4176.1000111.1L29 L32 L34 S52 I53 F97 L101L29-L50 HydrophobicContact CD1-CD1 3.99Å; L29-L50 HydrophobicContact CD1-CD2 3.93Å; L29-L50 HydrophobicContact CD1-CG 4.46Å; L32-L50 PolarHBondContact O-N 3.45Å; L34-L50 HydrophobicContact CB-CD2 4.17Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 2.92Å; L50-I53 HydrophobicContact CD2-CD1 3.72Å; L50-I53 WeakPolarHBondContact O-CB 3.48Å; L50-I53 PolarHBondContact O-N 3.48Å; L50-F97 HydrophobicContact CD1-CB 4.13Å; L50-L101 HydrophobicContact CB-CD2 3.55Å
51S90.4Very high87.4Confident45 Ų4554.5 Ų54.532%0.31532%0.321SS..G310 helixtrans-74.9-8.1175.659.50000115P49 K73P49-S51 WeakPolarHBondContact CB-OG 3.38Å; P49-S51 PolarHBondContact O-N 3.46Å; S51-K73 PolarHBondContact O-NZ 2.81Å
52S91.8Very high86.3Confident14 Ų1459.5 Ų59.510%0.09834%0.338CS..G310 helixtrans-93.4-10169.669.30000113.2P49 L50 V54 E72 K73P49-S52 PolarHBondContact O-N 2.81Å; P49-S52 PolarHBondContact O-OG 2.87Å; L50-S52 VanDerWaalsContact C-N 3.29Å; L50-S52 PolarHBondContact O-N 2.92Å; S52-V54 PolarHBondContact O-N 2.89Å; S52-E72 VanDerWaalsContact CB-OE1 3.25Å; S52-E72 WeakPolarHBondContact CB-OE1 3.48Å; S52-E72 CarbonylContact O-C 3.55Å; S52-E72 WeakPolarHBondContact O-CA 3.41Å; S52-E72 WeakPolarHBondContact OG-CG 3.26Å; S52-E72 PolarHBondContact OG-OE1 3.33Å; S52-K73 WeakPolarHBondContact O-CG 3.42Å; S52-K73 PolarHBondContact O-N 3.33Å
53I93.3Very high84.7Confident6 Ų665.7 Ų65.73%0.03135%0.349CS..EExtended strand (participates in β ladder)trans-69.5124.1174.2-57.8175.6000110F48 L50 I56 I70 W98F48-I53 HydrophobicContact CD2-CD1 4.37Å; F48-I53 HydrophobicContact CD2-CG1 4.04Å; F48-I53 HydrophobicContact CE2-CD1 3.89Å; F48-I53 HydrophobicContact CE2-CG1 3.85Å; L50-I53 HydrophobicContact CD2-CD1 3.72Å; L50-I53 WeakPolarHBondContact O-CB 3.48Å; L50-I53 PolarHBondContact O-N 3.48Å; I53-I56 HydrophobicContact CD1-CD1 4.41Å; I53-I56 HydrophobicContact CG2-CD1 4.21Å; I53-I56 HydrophobicContact CG2-CG1 3.62Å; I53-I70 HydrophobicContact CB-CG2 4.37Å; I53-I70 HydrophobicContact CD1-CG2 4Å; I53-I70 HydrophobicContact CG1-CG2 3.79Å; I53-I70 HydrophobicContact CG2-CG2 3.85Å; I53-W98 HydrophobicContact CG2-CD2 4.23Å; I53-W98 HydrophobicContact CG2-CG 4.48Å; I53-W98 HydrophobicContact CG2-CZ2 4.06Å; I53-W98 PolarHBondContact O-NE1 2.96Å; I53-W98 VanDerWaalsContact O-NE1 3.13Å
54V91.9Very high83Confident79 Ų7966.5 Ų66.548%0.47936%0.356SS..EExtended strand (participates in β ladder)trans-91.9-41.2173.41790000110.6S52 L71 K73 W98S52-V54 PolarHBondContact O-N 2.89Å; V54-L71 HydrophobicContact CB-CD2 4.35Å; V54-L71 HydrophobicContact CB-CG 4.36Å; V54-L71 HydrophobicContact CG1-CD2 4.27Å; V54-L71 PolarHBondContact N-O 3.33Å; V54-K73 HydrophobicContact CG2-CB 4.47Å; V54-K73 HydrophobicContact CG2-CG 3.75Å; V54-W98 WeakPolarHBondContact O-CZ2 3.22Å
55E92.9Very high82Confident71 Ų7168.6 Ų68.633%0.33236%0.362SS..EExtended strand (participates in β ladder)trans-151.6144.2-176.1-169.9179.3-145.400111.5K57 I70 L71E55-K57 VanDerWaalsContact CD-CE 3.42Å; E55-K57 HydrophobicContact CG-CD 4.45Å; E55-K57 HydrophobicContact CG-CG 4.23Å; E55-K57 WeakPolarHBondContact OE1-CE 3.42Å; E55-K57 IonicContact OE1-NZ 3.31Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CD 3.42Å; E55-K57 WeakPolarHBondContact OE2-CE 3.44Å; E55-K57 IonicContact OE2-NZ 2.88Å; E55-K57 PolarHBondContact OE2-NZ 3.32Å; E55-I70 WeakPolarHBondContact O-CA 3.27Å; E55-L71 HydrophobicContact CB-CB 4.09Å; E55-L71 HydrophobicContact CB-CD2 4.4Å; E55-L71 PolarHBondContact N-O 2.93Å; E55-L71 PolarHBondContact O-N 2.74Å
56I93.1Very high81.7Confident15 Ų1568.1 Ų68.18%0.07736%0.364CS..EExtended strand (participates in β ladder)trans-121.6122.7169.6-49.9179.4000107.8I53 I68 T69 I70 F91 I94 W98I53-I56 HydrophobicContact CD1-CD1 4.41Å; I53-I56 HydrophobicContact CG2-CD1 4.21Å; I53-I56 HydrophobicContact CG2-CG1 3.62Å; I56-I68 HydrophobicContact CG2-CG2 3.72Å; I56-T69 WeakPolarHBondContact CA-O 3.5Å; I56-I70 HydrophobicContact CG2-CG1 4.3Å; I56-F91 HydrophobicContact CB-CE2 4.1Å; I56-F91 HydrophobicContact CG2-CD2 3.67Å; I56-F91 HydrophobicContact CG2-CE2 3.57Å; I56-I94 HydrophobicContact CD1-CG2 3.75Å; I56-W98 HydrophobicContact CD1-CB 4.14Å; I56-W98 HydrophobicContact CD1-CD2 3.96Å; I56-W98 HydrophobicContact CD1-CE3 3.73Å; I56-W98 HydrophobicContact CD1-CG 4.16Å; I56-W98 HydrophobicContact CD1-CZ3 4.43Å; I56-W98 HydrophobicContact CG1-CD2 4.33Å; I56-W98 HydrophobicContact CG1-CE3 4.02Å; I56-W98 HydrophobicContact CG1-CZ3 4.26Å
57K92.6Very high81.6Confident94 Ų9467.7 Ų67.741%0.40936%0.361SS..EExtended strand (participates in β ladder)trans-119.3141.5-180-91.7170.8168.5139.90111.8E55 E59 I68 T69E55-K57 VanDerWaalsContact CD-CE 3.42Å; E55-K57 HydrophobicContact CG-CD 4.45Å; E55-K57 HydrophobicContact CG-CG 4.23Å; E55-K57 WeakPolarHBondContact OE1-CE 3.42Å; E55-K57 IonicContact OE1-NZ 3.31Å; E55-K57 PolarHBondContact OE1-NZ 2.82Å; E55-K57 WeakPolarHBondContact OE2-CD 3.42Å; E55-K57 WeakPolarHBondContact OE2-CE 3.44Å; E55-K57 IonicContact OE2-NZ 2.88Å; E55-K57 PolarHBondContact OE2-NZ 3.32Å; K57-E59 HydrophobicContact CB-CG 4.31Å; K57-I68 WeakPolarHBondContact O-CA 3.4Å; K57-T69 WeakPolarHBondContact CB-OG1 3.31Å; K57-T69 PolarHBondContact N-O 2.92Å; K57-T69 PolarHBondContact O-N 2.72Å
58K91.8Very high81.7Confident95 Ų9564.7 Ų64.741%0.41334%0.34SS..EExtended strand (participates in β ladder)trans-87.9103.5165.1-80.7167.6-69.9-158.40107.5F91K58-F91 HydrophobicContact CD-CB 4.03Å; K58-F91 HydrophobicContact CD-CD1 3.66Å; K58-F91 HydrophobicContact CD-CD2 3.92Å; K58-F91 HydrophobicContact CD-CE1 4.07Å; K58-F91 HydrophobicContact CD-CE2 4.29Å; K58-F91 HydrophobicContact CD-CG 3.57Å; K58-F91 HydrophobicContact CD-CZ 4.37Å; K58-F91 VanDerWaalsContact CE-CD1 3.43Å; K58-F91 HydrophobicContact CG-CB 4.05Å; K58-F91 HydrophobicContact CG-CD1 4.21Å; K58-F91 HydrophobicContact CG-CD2 3.51Å; K58-F91 HydrophobicContact CG-CE2 3.95Å; K58-F91 HydrophobicContact CG-CG 3.64Å; K58-F91 HydrophobicContact CG-CZ 4.49Å
59E86.2Confident81.7Confident48 Ų4864.7 Ų64.722%0.22434%0.341CS..EExtended strand (participates in β ladder)trans-99.6159.5175.5-71-177.6-140.500110.2K57 S67 T69 K77 W79 R87K57-E59 HydrophobicContact CB-CG 4.31Å; E59-S67 WeakPolarHBondContact CB-OG 3.32Å; E59-S67 PolarHBondContact N-O 2.95Å; E59-S67 PolarHBondContact O-N 3.32Å; E59-T69 HydrophobicContact CB-CG2 4.31Å; E59-T69 VanDerWaalsContact CD-CG2 3.46Å; E59-T69 HydrophobicContact CG-CG2 4.13Å; E59-T69 WeakPolarHBondContact OE1-CB 3.43Å; E59-T69 VanDerWaalsContact OE1-CG2 3.27Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.2Å; E59-T69 PolarHBondContact OE1-OG1 3.1Å; E59-K77 VanDerWaalsContact CD-NZ 3.33Å; E59-K77 VanDerWaalsContact OE1-CE 3.31Å; E59-K77 WeakPolarHBondContact OE1-CE 3.43Å; E59-K77 IonicContact OE1-NZ 3.54Å; E59-K77 PolarHBondContact OE1-NZ 2.94Å; E59-K77 IonicContact OE2-NZ 2.78Å; E59-K77 PolarHBondContact OE2-NZ 3.47Å; E59-K77 VanDerWaalsContact OE2-NZ 3.11Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.31Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.27Å; E59-R87 PolarHBondContact O-NH1 3.42Å
60A74.5Confident81.8Confident72 Ų7261.8 Ų61.860%0.59532%0.322SS*.EExtended strand (participates in β ladder)trans-149.5131.6174.600000108.4F65A60-F65 WeakPolarHBondContact CA-O 3.48Å
61S58.1Low81.9Confident56 Ų5663.9 Ų63.939%0.39233%0.333SS..  trans-70.4155.2164.7730000109.9F63 I64 F65S61-F63 PolarHBondContact O-N 3.48Å; S61-I64 PolarHBondContact OG-N 3.45Å; S61-F65 PolarHBondContact N-O 3.01Å; S61-F65 VanDerWaalsContact N-O 3.13Å; S61-F65 PolarHBondContact OG-N 2.9Å; S61-F65 VanDerWaalsContact OG-N 3.13Å
62H54.1Low82Confident188 Ų18863.8 Ų63.887%0.8733%0.327SS*.SBendtrans-58.5-6.5179.7-79-78.8000115.7
63F47.4Very low81.8Confident189 Ų18969.6 Ų69.683%0.82935%0.351SS*.SBendtrans-128.8-39.7-171.7-84.6-84000117.6S61S61-F63 PolarHBondContact O-N 3.48Å
64I51.8Low81.4Confident135 Ų13572.8 Ų72.869%0.69239%0.385SS*.SBendtrans-160.8-23.5-177.232.9171.8000116.8S61 S66S61-I64 PolarHBondContact OG-N 3.45Å; I64-S66 PolarHBondContact O-N 3.42Å
65F65.7Low81Confident124 Ų12476.9 Ų76.954%0.54440%0.399SS..  trans-93.6104.7-167.2-58.7-64.6000111.9A60 S61A60-F65 WeakPolarHBondContact CA-O 3.48Å; S61-F65 PolarHBondContact N-O 3.01Å; S61-F65 VanDerWaalsContact N-O 3.13Å; S61-F65 PolarHBondContact OG-N 2.9Å; S61-F65 VanDerWaalsContact OG-N 3.13Å
66S81.6Confident80.9Confident51 Ų5175.5 Ų75.536%0.35740%0.399SS..EExtended strand (participates in β ladder)trans-80.5118.2169.668.40000110.3I64I64-S66 PolarHBondContact O-N 3.42Å
67S88.5Confident80.8Confident9 Ų978.6 Ų78.66%0.06341%0.412CS..EExtended strand (participates in β ladder)trans-125.9154.8-176.453.10000112.7E59 F80 R87E59-S67 WeakPolarHBondContact CB-OG 3.32Å; E59-S67 PolarHBondContact N-O 2.95Å; E59-S67 PolarHBondContact O-N 3.32Å; S67-F80 CarbonylContact C-O 3.55Å; S67-F80 WeakPolarHBondContact CA-O 3.48Å; S67-F80 WeakPolarHBondContact CB-O 3.49Å; S67-R87 WeakPolarHBondContact O-CD 3.41Å
68I93.2Very high80.8Confident1 Ų175 Ų751%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-106.7134.6161.5-63.8173.5000106.9I56 K57 I70 F80 L83 R87 V90 F91I56-I68 HydrophobicContact CG2-CG2 3.72Å; K57-I68 WeakPolarHBondContact O-CA 3.4Å; I68-I70 HydrophobicContact CG2-CD1 4.49Å; I68-I70 HydrophobicContact CG2-CG1 4.03Å; I68-F80 PolarHBondContact N-O 3.16Å; I68-F80 PolarHBondContact O-N 3.09Å; I68-L83 HydrophobicContact CB-CD1 3.97Å; I68-L83 HydrophobicContact CD1-CD1 3.61Å; I68-L83 HydrophobicContact CG1-CD1 3.56Å; I68-R87 HydrophobicContact CD1-CG 4.3Å; I68-R87 HydrophobicContact CG1-CG 3.7Å; I68-V90 HydrophobicContact CD1-CB 4.13Å; I68-V90 HydrophobicContact CD1-CG1 4.11Å; I68-F91 HydrophobicContact CD1-CB 3.75Å; I68-F91 HydrophobicContact CG1-CB 4.32Å
69T93.2Very high80.9Confident5 Ų574 Ų743%0.03139%0.391CS..EExtended strand (participates in β ladder)trans-112.9139.4169.358.20000109.8I56 K57 E59 K77 H78 W79I56-T69 WeakPolarHBondContact CA-O 3.5Å; K57-T69 WeakPolarHBondContact CB-OG1 3.31Å; K57-T69 PolarHBondContact N-O 2.92Å; K57-T69 PolarHBondContact O-N 2.72Å; E59-T69 HydrophobicContact CB-CG2 4.31Å; E59-T69 VanDerWaalsContact CD-CG2 3.46Å; E59-T69 HydrophobicContact CG-CG2 4.13Å; E59-T69 WeakPolarHBondContact OE1-CB 3.43Å; E59-T69 VanDerWaalsContact OE1-CG2 3.27Å; E59-T69 WeakPolarHBondContact OE1-CG2 3.2Å; E59-T69 PolarHBondContact OE1-OG1 3.1Å; T69-K77 VanDerWaalsContact CB-CE 3.42Å; T69-H78 CarbonylContact C-O 3.58Å; T69-H78 VanDerWaalsContact CA-O 3.25Å; T69-H78 WeakPolarHBondContact CA-O 3.26Å; T69-W79 HydrophobicContact CG2-CD2 3.55Å; T69-W79 HydrophobicContact CG2-CE3 3.23Å; T69-W79 HydrophobicContact CG2-CG 4.14Å; T69-W79 HydrophobicContact CG2-CH2 4.27Å; T69-W79 HydrophobicContact CG2-CZ3 3.62Å
70I94.1Very high81.2Confident1 Ų171.8 Ų71.81%0.00538%0.38CS..EExtended strand (participates in β ladder)trans-124.8122.1179.6-57.2-176.3000107.2L34 F48 I53 E55 I56 I68 H78 F80L34-I70 HydrophobicContact CD2-CD1 3.29Å; F48-I70 HydrophobicContact CE2-CD1 4.42Å; F48-I70 HydrophobicContact CE2-CG2 3.85Å; F48-I70 HydrophobicContact CZ-CB 4.19Å; F48-I70 HydrophobicContact CZ-CD1 4.08Å; F48-I70 HydrophobicContact CZ-CG2 3.76Å; I53-I70 HydrophobicContact CB-CG2 4.37Å; I53-I70 HydrophobicContact CD1-CG2 4Å; I53-I70 HydrophobicContact CG1-CG2 3.79Å; I53-I70 HydrophobicContact CG2-CG2 3.85Å; E55-I70 WeakPolarHBondContact O-CA 3.27Å; I56-I70 HydrophobicContact CG2-CG1 4.3Å; I68-I70 HydrophobicContact CG2-CD1 4.49Å; I68-I70 HydrophobicContact CG2-CG1 4.03Å; I70-H78 HydrophobicContact CB-CB 4.4Å; I70-H78 PolarHBondContact N-O 3.43Å; I70-H78 PolarHBondContact O-N 3.44Å; I70-F80 HydrophobicContact CB-CE2 4.47Å; I70-F80 HydrophobicContact CD1-CD2 4.2Å; I70-F80 HydrophobicContact CD1-CE2 3.85Å; I70-F80 HydrophobicContact CG1-CD2 4.35Å; I70-F80 HydrophobicContact CG1-CE2 4.16Å
71L93.4Very high82Confident43 Ų4368.6 Ų68.623%0.22535%0.353CS..EExtended strand (participates in β ladder)trans-97117.5176.2-175.666.1000108.8V54 E55 K77V54-L71 HydrophobicContact CB-CD2 4.35Å; V54-L71 HydrophobicContact CB-CG 4.36Å; V54-L71 HydrophobicContact CG1-CD2 4.27Å; V54-L71 PolarHBondContact N-O 3.33Å; E55-L71 HydrophobicContact CB-CB 4.09Å; E55-L71 HydrophobicContact CB-CD2 4.4Å; E55-L71 PolarHBondContact N-O 2.93Å; E55-L71 PolarHBondContact O-N 2.74Å; L71-K77 HydrophobicContact CD1-CB 4.48Å
72E92.7Very high83.4Confident43 Ų4369.2 Ų69.220%0.20136%0.358CS..EExtended strand (participates in β ladder)trans-91.9153.6174.1-176.1169.4-150.100111.4F48 S52 G74 H75 A76 H78F48-E72 WeakPolarHBondContact CB-OE1 3.21Å; S52-E72 VanDerWaalsContact CB-OE1 3.25Å; S52-E72 WeakPolarHBondContact CB-OE1 3.48Å; S52-E72 CarbonylContact O-C 3.55Å; S52-E72 WeakPolarHBondContact O-CA 3.41Å; S52-E72 WeakPolarHBondContact OG-CG 3.26Å; S52-E72 PolarHBondContact OG-OE1 3.33Å; E72-G74 PolarHBondContact O-N 3.37Å; E72-H75 PolarHBondContact O-N 3.34Å; E72-A76 HydrophobicContact CB-CB 4.32Å; E72-A76 PolarHBondContact N-O 3.38Å; E72-H78 IonicContact OE2-NE2 2.85Å
73K88.3Confident85.1Confident136 Ų13660.6 Ų60.659%0.59132%0.318SS*.THydrogen-bonded Turntrans-49.2129.6166.7-75.7173.2-176164.10110.1S51 S52 V54S51-K73 PolarHBondContact O-NZ 2.81Å; S52-K73 WeakPolarHBondContact O-CG 3.42Å; S52-K73 PolarHBondContact O-N 3.33Å; V54-K73 HydrophobicContact CG2-CB 4.47Å; V54-K73 HydrophobicContact CG2-CG 3.75Å
74G84.5Confident87Confident73 Ų7359.1 Ų59.175%0.75331%0.307SS*.THydrogen-bonded Turntrans93.510.4-168.800000114.3E72 A76E72-G74 PolarHBondContact O-N 3.37Å; G74-A76 VanDerWaalsContact C-N 3.26Å; G74-A76 PolarHBondContact O-N 3.02Å
75H84.2Confident88.6Confident166 Ų16655.9 Ų55.977%0.76929%0.294SS*.THydrogen-bonded Turntrans64.419.1175.5-58-83.1000115.5E72 K77E72-H75 PolarHBondContact O-N 3.34Å; H75-K77 PolarHBondContact O-N 3.42Å
76A89.2Confident89.7Confident41 Ų4151.6 Ų51.634%0.33928%0.28SS..EExtended strand (participates in β ladder)trans-70.6118.8170.800000109.8E72 G74E72-A76 HydrophobicContact CB-CB 4.32Å; E72-A76 PolarHBondContact N-O 3.38Å; G74-A76 VanDerWaalsContact C-N 3.26Å; G74-A76 PolarHBondContact O-N 3.02Å
77K91.8Very high90.1Very high81 Ų8151.6 Ų51.635%0.35227%0.272SS..EExtended strand (participates in β ladder)trans-102112.2178.4-169.9-179.7-177-171.80110.4E59 T69 L71 H75 W79E59-K77 VanDerWaalsContact CD-NZ 3.33Å; E59-K77 VanDerWaalsContact OE1-CE 3.31Å; E59-K77 WeakPolarHBondContact OE1-CE 3.43Å; E59-K77 IonicContact OE1-NZ 3.54Å; E59-K77 PolarHBondContact OE1-NZ 2.94Å; E59-K77 IonicContact OE2-NZ 2.78Å; E59-K77 PolarHBondContact OE2-NZ 3.47Å; E59-K77 VanDerWaalsContact OE2-NZ 3.11Å; T69-K77 VanDerWaalsContact CB-CE 3.42Å; L71-K77 HydrophobicContact CD1-CB 4.48Å; H75-K77 PolarHBondContact O-N 3.42Å; K77-W79 HydrophobicContact CD-CZ2 3.83Å
78H92.4Very high90.2Very high19 Ų1955 Ų559%0.08829%0.29CS..EExtended strand (participates in β ladder)trans-93.8134.6176.7-60.8-73.5000110.5Y14 F48 T69 I70 E72 F80Y14-H78 HydrophobicContact CE2-CB 3.95Å; Y14-H78 AromaticContact CE2-ND1 3.9Å; Y14-H78 AromaticContact CZ-ND1 3.8Å; Y14-H78 PolarHBondContact OH-ND1 3.04Å; F48-H78 AromaticContact CD1-CD2 3.91Å; F48-H78 AromaticContact CD1-NE2 3.82Å; F48-H78 HydrophobicContact CE1-CB 4.28Å; F48-H78 AromaticContact CE1-CD2 3.43Å; F48-H78 VanDerWaalsContact CE1-CD2 3.43Å; F48-H78 WeakPolarHBondContact CE1-CD2 3.38Å; F48-H78 AromaticContact CE1-CG 3.68Å; F48-H78 AromaticContact CE1-NE2 3.8Å; T69-H78 CarbonylContact C-O 3.58Å; T69-H78 VanDerWaalsContact CA-O 3.25Å; T69-H78 WeakPolarHBondContact CA-O 3.26Å; I70-H78 HydrophobicContact CB-CB 4.4Å; I70-H78 PolarHBondContact N-O 3.43Å; I70-H78 PolarHBondContact O-N 3.44Å; E72-H78 IonicContact OE2-NE2 2.85Å; H78-F80 HydrophobicContact CB-CE2 3.69Å; H78-F80 HydrophobicContact CB-CZ 4.09Å
79W92.9Very high90Very high73 Ų7355.2 Ų55.228%0.27729%0.291SS..EExtended strand (participates in β ladder)trans-117.9123.6180-60.777.5000111.2Y14 Y15 W22 E59 T69 K77Y14-W79 WeakPolarHBondContact CA-O 3.37Å; Y14-W79 VanDerWaalsContact CD2-O 3.23Å; Y14-W79 WeakPolarHBondContact CD2-O 3.41Å; Y15-W79 PolarHBondContact N-O 2.95Å; W22-W79 HydrophobicContact CH2-CB 4.01Å; W22-W79 HydrophobicContact CZ3-CB 4.39Å; E59-W79 WeakPolarHBondContact OE2-CH2 3.31Å; E59-W79 WeakPolarHBondContact OE2-CZ3 3.27Å; T69-W79 HydrophobicContact CG2-CD2 3.55Å; T69-W79 HydrophobicContact CG2-CE3 3.23Å; T69-W79 HydrophobicContact CG2-CG 4.14Å; T69-W79 HydrophobicContact CG2-CH2 4.27Å; T69-W79 HydrophobicContact CG2-CZ3 3.62Å; K77-W79 HydrophobicContact CD-CZ2 3.83Å
80F92.8Very high90Very high2 Ų255 Ų551%0.00929%0.289CS..EExtended strand (participates in β ladder)trans-117.8134176.2-56.6-82.6000109.8T13 Y14 L27 F36 S67 I68 I70 H78 L83T13-F80 CarbonylContact O-C 3.42Å; T13-F80 VanDerWaalsContact O-CA 3.3Å; T13-F80 WeakPolarHBondContact O-CA 3.17Å; Y14-F80 AromaticContact CD2-CD1 3.81Å; Y14-F80 HydrophobicContact CD2-CD1 3.81Å; Y14-F80 AromaticContact CD2-CE1 3.42Å; Y14-F80 HydrophobicContact CD2-CE1 3.42Å; Y14-F80 VanDerWaalsContact CD2-CE1 3.42Å; Y14-F80 AromaticContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CD2-CZ 3.84Å; Y14-F80 HydrophobicContact CE2-CE1 4.12Å; Y14-F80 HydrophobicContact CE2-CZ 4.08Å; Y14-F80 HydrophobicContact CG-CE1 4.15Å; L27-F80 HydrophobicContact CD1-CD1 4.08Å; L27-F80 HydrophobicContact CD1-CE1 3.67Å; L27-F80 HydrophobicContact CD1-CZ 4.03Å; L27-F80 HydrophobicContact CD2-CD1 4.33Å; L27-F80 HydrophobicContact CD2-CG 4.43Å; F36-F80 HydrophobicContact CB-CE1 4.08Å; F36-F80 HydrophobicContact CD2-CD1 4.38Å; F36-F80 HydrophobicContact CD2-CE1 4.17Å; F36-F80 HydrophobicContact CG-CE1 4.28Å; S67-F80 CarbonylContact C-O 3.55Å; S67-F80 WeakPolarHBondContact CA-O 3.48Å; S67-F80 WeakPolarHBondContact CB-O 3.49Å; I68-F80 PolarHBondContact N-O 3.16Å; I68-F80 PolarHBondContact O-N 3.09Å; I70-F80 HydrophobicContact CB-CE2 4.47Å; I70-F80 HydrophobicContact CD1-CD2 4.2Å; I70-F80 HydrophobicContact CD1-CE2 3.85Å; I70-F80 HydrophobicContact CG1-CD2 4.35Å; I70-F80 HydrophobicContact CG1-CE2 4.16Å; H78-F80 HydrophobicContact CB-CE2 3.69Å; H78-F80 HydrophobicContact CB-CZ 4.09Å; F80-L83 HydrophobicContact CB-CD1 4.28Å; F80-L83 HydrophobicContact CB-CD2 4.3Å
81S91.4Very high89.9Confident4 Ų455.5 Ų55.53%0.02829%0.292CS..EExtended strand (participates in β ladder)trans-136.2174.3-179.1-168.60000110.9C12 T13 W22 L83C12-S81 WeakPolarHBondContact CB-O 3.36Å; T13-S81 PolarHBondContact N-O 2.82Å; T13-S81 PolarHBondContact O-N 2.97Å; T13-S81 PolarHBondContact OG1-O 3.29Å; W22-S81 VanDerWaalsContact CZ3-CB 3.45Å; S81-L83 PolarHBondContact O-N 2.83Å; S81-L83 VanDerWaalsContact O-N 3.1Å
82S88.8Confident89.9Confident69 Ų6954.3 Ų54.348%0.48329%0.287SS..SBendtrans53.132.4-179.9-580000114.6R84S82-R84 PolarHBondContact O-N 3.26Å
83L89.1Confident90Very high8 Ų852.3 Ų52.34%0.04228%0.277CS..  trans-70.2121-175.5-69.3147.2000111.8C12 L27 I68 F80 S81 S86 R87 V90C12-L83 HydrophobicContact CB-CD2 3.54Å; C12-L83 HydrophobicContact CB-CG 3.89Å; L27-L83 HydrophobicContact CD2-CD2 4.12Å; I68-L83 HydrophobicContact CB-CD1 3.97Å; I68-L83 HydrophobicContact CD1-CD1 3.61Å; I68-L83 HydrophobicContact CG1-CD1 3.56Å; F80-L83 HydrophobicContact CB-CD1 4.28Å; F80-L83 HydrophobicContact CB-CD2 4.3Å; S81-L83 PolarHBondContact O-N 2.83Å; S81-L83 VanDerWaalsContact O-N 3.1Å; L83-S86 CarbonylContact O-C 3.48Å; L83-S86 WeakPolarHBondContact O-CA 3.5Å; L83-R87 HydrophobicContact CD1-CG 4.23Å; L83-V90 HydrophobicContact CB-CG2 4.21Å; L83-V90 HydrophobicContact CD2-CB 4.24Å; L83-V90 HydrophobicContact CD2-CG1 3.89Å; L83-V90 HydrophobicContact CD2-CG2 4.26Å
84R87.5Confident90.3Very high158 Ų15845.8 Ų45.860%0.59625%0.249SC*.SBendtrans-107.3146.9175-62.2-174.2-76167-3.6111.3P11 S82P11-R84 HydrophobicContact CG-CB 4.15Å; P11-R84 PolarHBondContact O-N 2.88Å; S82-R84 PolarHBondContact O-N 3.26Å
85P85.6Confident90.7Very high66 Ų6644.5 Ų44.543%0.42922%0.223SC..SBendcis-73.9-28.45.529.3-35.2000113.9V89P85-V89 HydrophobicContact CG-CB 4.15Å; P85-V89 HydrophobicContact CG-CG1 3.92Å; P85-V89 HydrophobicContact CG-CG2 4.34Å
86S88.1Confident91.2Very high34 Ų3437.5 Ų37.524%0.23819%0.191CC..  trans-155.9156.1165.676.20000111.7L83 N88 V89 V90L83-S86 CarbonylContact O-C 3.48Å; L83-S86 WeakPolarHBondContact O-CA 3.5Å; S86-N88 PolarHBondContact O-N 3.01Å; S86-V89 PolarHBondContact O-N 3.18Å; S86-V89 VanDerWaalsContact O-N 3.11Å; S86-V89 WeakPolarHBondContact OG-CG2 3.4Å; S86-V89 PolarHBondContact OG-N 3.06Å; S86-V90 PolarHBondContact O-N 3.41Å; S86-V90 VanDerWaalsContact O-N 3.14Å
87R90Very high91.3Very high52 Ų5235.8 Ų35.820%0.19618%0.176CC..Hα-helixtrans-49.4-42.4172.3-173.7-156.858.7-172.3-1.9112.2E59 S67 I68 L83 F91E59-R87 PolarHBondContact O-NH1 3.42Å; S67-R87 WeakPolarHBondContact O-CD 3.41Å; I68-R87 HydrophobicContact CD1-CG 4.3Å; I68-R87 HydrophobicContact CG1-CG 3.7Å; L83-R87 HydrophobicContact CD1-CG 4.23Å; R87-F91 VanDerWaalsContact O-CB 3.22Å; R87-F91 WeakPolarHBondContact O-CB 3.24Å; R87-F91 PolarHBondContact O-N 3.24Å
88N90.3Very high91.4Very high81 Ų8133.7 Ų33.743%0.43317%0.166SC..Hα-helixtrans-70.3-34.5-175.8-64.4-14.8000111.9S86 S92S86-N88 PolarHBondContact O-N 3.01Å; N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3Å; N88-S92 VanDerWaalsContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.29Å
89V90.3Very high91.3Very high4 Ų439.4 Ų39.42%0.02419%0.187CC..Hα-helixtrans-66.6-51.8175.2172.40000110.8P85 S86 F91 S92 I93 E222 V225P85-V89 HydrophobicContact CG-CB 4.15Å; P85-V89 HydrophobicContact CG-CG1 3.92Å; P85-V89 HydrophobicContact CG-CG2 4.34Å; S86-V89 PolarHBondContact O-N 3.18Å; S86-V89 VanDerWaalsContact O-N 3.11Å; S86-V89 WeakPolarHBondContact OG-CG2 3.4Å; S86-V89 PolarHBondContact OG-N 3.06Å; V89-F91 VanDerWaalsContact C-N 3.33Å; V89-F91 PolarHBondContact O-N 3Å; V89-S92 PolarHBondContact O-N 3.38Å; V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 2.86Å; V89-I93 VanDerWaalsContact O-N 3.11Å; V89-E222 WeakPolarHBondContact CG2-O 3.4Å; V89-V225 HydrophobicContact CB-CG2 4.19Å; V89-V225 HydrophobicContact CG1-CG1 4.04Å; V89-V225 HydrophobicContact CG1-CG2 4.34Å; V89-V225 HydrophobicContact CG2-CG1 4.17Å; V89-V225 HydrophobicContact CG2-CG2 3.95Å
90V92.1Very high91.1Very high0 Ų036.9 Ų36.90%018%0.178CC..Hα-helixtrans-61.9-42.7-179.7-176.20000111.2W10 L27 I68 L83 S86 I93 I94W10-V90 HydrophobicContact CB-CG2 4.11Å; W10-V90 HydrophobicContact CD2-CB 4.28Å; W10-V90 HydrophobicContact CD2-CG1 3.68Å; W10-V90 HydrophobicContact CD2-CG2 3.82Å; W10-V90 HydrophobicContact CE3-CG1 3.56Å; W10-V90 HydrophobicContact CG-CG1 4.23Å; W10-V90 HydrophobicContact CG-CG2 3.59Å; W10-V90 HydrophobicContact CH2-CG1 4.25Å; W10-V90 HydrophobicContact CZ2-CG1 4.38Å; W10-V90 HydrophobicContact CZ3-CG1 3.85Å; L27-V90 HydrophobicContact CD2-CG1 4.29Å; I68-V90 HydrophobicContact CD1-CB 4.13Å; I68-V90 HydrophobicContact CD1-CG1 4.11Å; L83-V90 HydrophobicContact CB-CG2 4.21Å; L83-V90 HydrophobicContact CD2-CB 4.24Å; L83-V90 HydrophobicContact CD2-CG1 3.89Å; L83-V90 HydrophobicContact CD2-CG2 4.26Å; S86-V90 PolarHBondContact O-N 3.41Å; S86-V90 VanDerWaalsContact O-N 3.14Å; V90-I93 PolarHBondContact O-N 3.12Å; V90-I94 HydrophobicContact CG1-CD1 3.6Å; V90-I94 HydrophobicContact CG1-CG1 4.25Å; V90-I94 VanDerWaalsContact O-CG1 3.32Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 2.9Å
91F93.1Very high90.8Very high13 Ų1338.2 Ų38.26%0.05719%0.185CC..Hα-helixtrans-57.6-52.6175.2176.4-88.6000111.9I56 K58 I68 R87 V89 I93 I94 E95I56-F91 HydrophobicContact CB-CE2 4.1Å; I56-F91 HydrophobicContact CG2-CD2 3.67Å; I56-F91 HydrophobicContact CG2-CE2 3.57Å; K58-F91 HydrophobicContact CD-CB 4.03Å; K58-F91 HydrophobicContact CD-CD1 3.66Å; K58-F91 HydrophobicContact CD-CD2 3.92Å; K58-F91 HydrophobicContact CD-CE1 4.07Å; K58-F91 HydrophobicContact CD-CE2 4.29Å; K58-F91 HydrophobicContact CD-CG 3.57Å; K58-F91 HydrophobicContact CD-CZ 4.37Å; K58-F91 VanDerWaalsContact CE-CD1 3.43Å; K58-F91 HydrophobicContact CG-CB 4.05Å; K58-F91 HydrophobicContact CG-CD1 4.21Å; K58-F91 HydrophobicContact CG-CD2 3.51Å; K58-F91 HydrophobicContact CG-CE2 3.95Å; K58-F91 HydrophobicContact CG-CG 3.64Å; K58-F91 HydrophobicContact CG-CZ 4.49Å; I68-F91 HydrophobicContact CD1-CB 3.75Å; I68-F91 HydrophobicContact CG1-CB 4.32Å; R87-F91 VanDerWaalsContact O-CB 3.22Å; R87-F91 WeakPolarHBondContact O-CB 3.24Å; R87-F91 PolarHBondContact O-N 3.24Å; V89-F91 VanDerWaalsContact C-N 3.33Å; V89-F91 PolarHBondContact O-N 3Å; F91-I93 VanDerWaalsContact C-N 3.28Å; F91-I93 PolarHBondContact O-N 3.44Å; F91-I94 PolarHBondContact O-N 3.22Å; F91-E95 HydrophobicContact CD1-CB 4.45Å; F91-E95 HydrophobicContact CE1-CB 4.16Å; F91-E95 HydrophobicContact CE1-CG 4.38Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.41Å; F91-E95 HydrophobicContact CZ-CB 4.43Å; F91-E95 WeakPolarHBondContact O-CB 3.47Å; F91-E95 PolarHBondContact O-N 3.32Å
92S93Very high90.3Very high17 Ų1742.1 Ų42.112%0.11921%0.205CC..Hα-helixtrans-64.1-33.7-175.2-600000112.4N88 V89 H96N88-S92 WeakPolarHBondContact O-CB 3.39Å; N88-S92 PolarHBondContact O-N 3Å; N88-S92 VanDerWaalsContact O-N 3.07Å; N88-S92 PolarHBondContact O-OG 3.29Å; V89-S92 PolarHBondContact O-N 3.38Å; S92-H96 WeakPolarHBondContact O-CB 3.48Å; S92-H96 PolarHBondContact O-N 2.67Å
93I93.9Very high89.8Confident1 Ų145.2 Ų45.21%0.00522%0.216CC..Hα-helixtrans-71.8-50.2176.1-61.4167.4000110.4W10 L29 V89 V90 F91 E95 H96 F97 V216 I283W10-I93 HydrophobicContact CH2-CB 4.14Å; W10-I93 HydrophobicContact CH2-CG2 3.85Å; W10-I93 HydrophobicContact CZ2-CB 3.88Å; W10-I93 HydrophobicContact CZ2-CD1 3.85Å; W10-I93 HydrophobicContact CZ2-CG1 4.47Å; W10-I93 HydrophobicContact CZ2-CG2 3.78Å; L29-I93 HydrophobicContact CD2-CG2 3.92Å; V89-I93 HydrophobicContact CG1-CD1 3.85Å; V89-I93 WeakPolarHBondContact O-CG1 3.48Å; V89-I93 PolarHBondContact O-N 2.86Å; V89-I93 VanDerWaalsContact O-N 3.11Å; V90-I93 PolarHBondContact O-N 3.12Å; F91-I93 VanDerWaalsContact C-N 3.28Å; F91-I93 PolarHBondContact O-N 3.44Å; I93-E95 VanDerWaalsContact C-N 3.32Å; I93-E95 PolarHBondContact O-N 3.37Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.29Å; I93-F97 HydrophobicContact CG2-CD2 4.08Å; I93-F97 HydrophobicContact CG2-CE2 4.05Å; I93-F97 WeakPolarHBondContact O-CD2 3.47Å; I93-F97 PolarHBondContact O-N 3.43Å; I93-V216 HydrophobicContact CG1-CG1 4.06Å; I93-I283 HydrophobicContact CD1-CD1 3.76Å; I93-I283 HydrophobicContact CG1-CD1 4.25Å; I93-I283 HydrophobicContact CG2-CG2 4.46Å
94I94.3Very high88.7Confident0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-62.3-42178.9-60.3171.4000110.8W10 L27 L29 L34 I56 V90 F91 H96 F97 W98W10-I94 HydrophobicContact CH2-CD1 4.44Å; W10-I94 HydrophobicContact CH2-CG1 3.82Å; W10-I94 HydrophobicContact CZ3-CD1 3.88Å; W10-I94 HydrophobicContact CZ3-CG1 3.71Å; L27-I94 HydrophobicContact CD2-CD1 3.93Å; L29-I94 HydrophobicContact CD2-CG1 4.49Å; L34-I94 HydrophobicContact CD1-CD1 3.93Å; L34-I94 HydrophobicContact CD1-CG1 4.23Å; L34-I94 HydrophobicContact CD2-CD1 4.18Å; L34-I94 HydrophobicContact CD2-CG2 4.5Å; I56-I94 HydrophobicContact CD1-CG2 3.75Å; V90-I94 HydrophobicContact CG1-CD1 3.6Å; V90-I94 HydrophobicContact CG1-CG1 4.25Å; V90-I94 VanDerWaalsContact O-CG1 3.32Å; V90-I94 WeakPolarHBondContact O-CG1 3.41Å; V90-I94 PolarHBondContact O-N 2.9Å; F91-I94 PolarHBondContact O-N 3.22Å; I94-H96 VanDerWaalsContact C-N 3.34Å; I94-H96 PolarHBondContact O-N 2.89Å; I94-F97 PolarHBondContact O-N 3.08Å; I94-W98 VanDerWaalsContact O-CB 3.31Å; I94-W98 WeakPolarHBondContact O-CB 3.34Å; I94-W98 PolarHBondContact O-N 3.21Å
95E93.6Very high87.3Confident45 Ų4544.1 Ų44.121%0.2122%0.223CC..Hα-helixtrans-57.7-44.7175.2-177.8-173.2-163.500111.4F91 I93 W98 R99F91-E95 HydrophobicContact CD1-CB 4.45Å; F91-E95 HydrophobicContact CE1-CB 4.16Å; F91-E95 HydrophobicContact CE1-CG 4.38Å; F91-E95 WeakPolarHBondContact CE1-OE2 3.41Å; F91-E95 HydrophobicContact CZ-CB 4.43Å; F91-E95 WeakPolarHBondContact O-CB 3.47Å; F91-E95 PolarHBondContact O-N 3.32Å; I93-E95 VanDerWaalsContact C-N 3.32Å; I93-E95 PolarHBondContact O-N 3.37Å; E95-W98 PolarHBondContact O-N 3.03Å; E95-R99 VanDerWaalsContact CG-CD 3.48Å; E95-R99 HydrophobicContact CG-CG 4.15Å; E95-R99 WeakPolarHBondContact O-CB 3.26Å; E95-R99 VanDerWaalsContact O-CG 3.27Å; E95-R99 WeakPolarHBondContact O-CG 3.36Å; E95-R99 PolarHBondContact O-N 3.49Å; E95-R99 IonicContact OE1-CZ 3.35Å; E95-R99 IonicContact OE1-NH1 3.82Å; E95-R99 PolarHBondContact OE1-NH1 2.7Å
96H93.9Very high85.3Confident20 Ų2047.7 Ų47.79%0.09325%0.247CC..Hα-helixtrans-57.1-53.5177.3-177.483000111.8S92 I93 I94 W98 R99 E100 P214 V216 S284 A285S92-H96 WeakPolarHBondContact O-CB 3.48Å; S92-H96 PolarHBondContact O-N 2.67Å; I93-H96 WeakPolarHBondContact O-CB 3.39Å; I93-H96 PolarHBondContact O-N 3.29Å; I94-H96 VanDerWaalsContact C-N 3.34Å; I94-H96 PolarHBondContact O-N 2.89Å; H96-W98 PolarHBondContact O-N 3.4Å; H96-R99 PolarHBondContact O-N 3.37Å; H96-E100 WeakPolarHBondContact O-CB 3.44Å; H96-E100 WeakPolarHBondContact O-CG 3.15Å; H96-E100 PolarHBondContact O-N 2.75Å; H96-P214 VanDerWaalsContact CE1-C 3.48Å; H96-P214 PolarHBondContact CE1-O 3.21Å; H96-P214 VanDerWaalsContact CE1-O 3.28Å; H96-V216 HydrophobicContact CB-CG2 3.57Å; H96-S284 PolarHBondContact NE2-OG 2.95Å; H96-S284 VanDerWaalsContact NE2-OG 3.16Å; H96-A285 PolarHBondContact NE2-N 3.43Å
97F93.2Very high83.2Confident5 Ų548.5 Ų48.52%0.02226%0.26CS..Hα-helixtrans-66.5-37.1-179.1-79.3-90000113I7 L29 L50 I93 I94 L101 Y264 I283 A285I7-F97 HydrophobicContact CD1-CD1 3.74Å; I7-F97 HydrophobicContact CD1-CE1 3.23Å; I7-F97 HydrophobicContact CD1-CZ 3.72Å; I7-F97 HydrophobicContact CG2-CE1 4.27Å; I7-F97 HydrophobicContact CG2-CE2 3.98Å; I7-F97 HydrophobicContact CG2-CZ 3.65Å; L29-F97 HydrophobicContact CD2-CB 4.23Å; L29-F97 HydrophobicContact CD2-CD2 3.65Å; L29-F97 HydrophobicContact CD2-CE2 4.25Å; L29-F97 HydrophobicContact CD2-CG 3.99Å; L50-F97 HydrophobicContact CD1-CB 4.13Å; I93-F97 HydrophobicContact CG2-CD2 4.08Å; I93-F97 HydrophobicContact CG2-CE2 4.05Å; I93-F97 WeakPolarHBondContact O-CD2 3.47Å; I93-F97 PolarHBondContact O-N 3.43Å; I94-F97 PolarHBondContact O-N 3.08Å; F97-L101 WeakPolarHBondContact O-CB 3.5Å; F97-L101 PolarHBondContact O-N 3.23Å; F97-Y264 AromaticContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CE1 4.43Å; F97-Y264 HydrophobicContact CE1-CG 4.29Å; F97-Y264 HydrophobicContact CZ-CD1 4.26Å; F97-Y264 HydrophobicContact CZ-CG 4.27Å; F97-I283 HydrophobicContact CE2-CG2 3.75Å; F97-I283 HydrophobicContact CZ-CG2 4.12Å; F97-A285 HydrophobicContact CD1-CB 3.58Å; F97-A285 HydrophobicContact CE1-CB 3.58Å; F97-A285 HydrophobicContact CG-CB 4.34Å; F97-A285 HydrophobicContact CZ-CB 4.34Å
98W92.9Very high80.6Confident37 Ų3751.1 Ų51.114%0.1429%0.293CS..Hα-helixtrans-64.1-49175.2174.454.9000111.8I53 V54 I56 I94 E95 H96 L101 L102I53-W98 HydrophobicContact CG2-CD2 4.23Å; I53-W98 HydrophobicContact CG2-CG 4.48Å; I53-W98 HydrophobicContact CG2-CZ2 4.06Å; I53-W98 PolarHBondContact O-NE1 2.96Å; I53-W98 VanDerWaalsContact O-NE1 3.13Å; V54-W98 WeakPolarHBondContact O-CZ2 3.22Å; I56-W98 HydrophobicContact CD1-CB 4.14Å; I56-W98 HydrophobicContact CD1-CD2 3.96Å; I56-W98 HydrophobicContact CD1-CE3 3.73Å; I56-W98 HydrophobicContact CD1-CG 4.16Å; I56-W98 HydrophobicContact CD1-CZ3 4.43Å; I56-W98 HydrophobicContact CG1-CD2 4.33Å; I56-W98 HydrophobicContact CG1-CE3 4.02Å; I56-W98 HydrophobicContact CG1-CZ3 4.26Å; I94-W98 VanDerWaalsContact O-CB 3.31Å; I94-W98 WeakPolarHBondContact O-CB 3.34Å; I94-W98 PolarHBondContact O-N 3.21Å; E95-W98 PolarHBondContact O-N 3.03Å; H96-W98 PolarHBondContact O-N 3.4Å; W98-L101 PolarHBondContact O-N 2.53Å; W98-L102 HydrophobicContact CD2-CD1 4.21Å; W98-L102 HydrophobicContact CZ2-CD1 3.91Å; W98-L102 WeakPolarHBondContact O-CG 3.01Å; W98-L102 PolarHBondContact O-N 2.91Å
99R91.4Very high78.5Confident138 Ų13853.3 Ų53.352%0.52131%0.309SS..Hα-helixtrans-64.8-42.6179.4-70.4173.970.6166.3-2111.9E95 H96 L101 L102 L103E95-R99 VanDerWaalsContact CG-CD 3.48Å; E95-R99 HydrophobicContact CG-CG 4.15Å; E95-R99 WeakPolarHBondContact O-CB 3.26Å; E95-R99 VanDerWaalsContact O-CG 3.27Å; E95-R99 WeakPolarHBondContact O-CG 3.36Å; E95-R99 PolarHBondContact O-N 3.49Å; E95-R99 IonicContact OE1-CZ 3.35Å; E95-R99 IonicContact OE1-NH1 3.82Å; E95-R99 PolarHBondContact OE1-NH1 2.7Å; H96-R99 PolarHBondContact O-N 3.37Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 2.76Å; R99-L102 WeakPolarHBondContact O-CB 3.1Å; R99-L102 PolarHBondContact O-N 3.41Å; R99-L103 WeakPolarHBondContact O-CG 3.14Å; R99-L103 PolarHBondContact O-N 3.44Å
100E88.7Confident76.3Confident21 Ų2157.9 Ų57.910%0.09835%0.347CS..Hα-helixtrans-63.8-33.6175.2-72.5-58.2111.600112.4H96 L103 S104 P214 A285 K286H96-E100 WeakPolarHBondContact O-CB 3.44Å; H96-E100 WeakPolarHBondContact O-CG 3.15Å; H96-E100 PolarHBondContact O-N 2.75Å; E100-L103 PolarHBondContact O-N 2.79Å; E100-S104 WeakPolarHBondContact O-CB 3.45Å; E100-S104 PolarHBondContact O-N 2.94Å; E100-S104 PolarHBondContact O-OG 3.18Å; E100-P214 HydrophobicContact CG-CG 4.27Å; E100-P214 WeakPolarHBondContact OE1-CG 3.31Å; E100-A285 HydrophobicContact CB-CB 3.74Å; E100-A285 HydrophobicContact CG-CB 4.04Å; E100-K286 WeakPolarHBondContact OE2-CG 3.46Å
101L85.6Confident73.7Confident30 Ų3065.6 Ų65.616%0.15739%0.388CS..Hα-helixtrans-70.5-36.4173.2-175.366.1000112.5L32 L50 F97 W98 R99 S104 Q105L32-L101 HydrophobicContact CD2-CD1 4Å; L50-L101 HydrophobicContact CB-CD2 3.55Å; F97-L101 WeakPolarHBondContact O-CB 3.5Å; F97-L101 PolarHBondContact O-N 3.23Å; W98-L101 PolarHBondContact O-N 2.53Å; R99-L101 VanDerWaalsContact C-N 3.29Å; R99-L101 PolarHBondContact O-N 2.76Å; L101-S104 PolarHBondContact O-N 2.99Å; L101-Q105 WeakPolarHBondContact O-CG 3.36Å; L101-Q105 PolarHBondContact O-N 3.17Å; L101-Q105 PolarHBondContact O-NE2 2.85Å
102L80.9Confident71.4Confident85 Ų8569.7 Ų69.745%0.44542%0.424SS..Hα-helixtrans-63.8-41.6172.5-68.1176.4000111.3W98 R99W98-L102 HydrophobicContact CD2-CD1 4.21Å; W98-L102 HydrophobicContact CZ2-CD1 3.91Å; W98-L102 WeakPolarHBondContact O-CG 3.01Å; W98-L102 PolarHBondContact O-N 2.91Å; R99-L102 WeakPolarHBondContact O-CB 3.1Å; R99-L102 PolarHBondContact O-N 3.41Å
103L77.6Confident68.8Low135 Ų13572.5 Ų72.571%0.70744%0.444SS*.Hα-helixtrans-72.7-26.9176.9-66.3172.6000113.2R99 E100R99-L103 WeakPolarHBondContact O-CG 3.14Å; R99-L103 PolarHBondContact O-N 3.44Å; E100-L103 PolarHBondContact O-N 2.79Å
104S67Low66.7Low56 Ų5678.3 Ų78.339%0.39248%0.479SS..THydrogen-bonded Turntrans-90.3-2.4-178.7-59.30000114.4E100 L101 P106E100-S104 WeakPolarHBondContact O-CB 3.45Å; E100-S104 PolarHBondContact O-N 2.94Å; E100-S104 PolarHBondContact O-OG 3.18Å; L101-S104 PolarHBondContact O-N 2.99Å; S104-P106 WeakPolarHBondContact O-CD 3.35Å
105Q57.2Low64.3Low87 Ų8784.4 Ų84.441%0.40752%0.519SS..  trans-74.8111.5178-91.4172.572.100111.4L101 G107L101-Q105 WeakPolarHBondContact O-CG 3.36Å; L101-Q105 PolarHBondContact O-N 3.17Å; L101-Q105 PolarHBondContact O-NE2 2.85Å; Q105-G107 PolarHBondContact O-N 3.06Å
106P43.7Very low62.4Low141 Ų14189.4 Ų89.492%0.91654%0.536SS*.SBendtrans-85.468.5173.733.3-22.6000108.2S104S104-P106 WeakPolarHBondContact O-CD 3.35Å
107G44.3Very low61.2Low50 Ų5092 Ų9252%0.51555%0.553SS.*  trans-176.531.6-163.100000117.9Q105Q105-G107 PolarHBondContact O-N 3.06Å
108A36.3Very low60Low107 Ų107101 Ų10188%0.88459%0.587SS**SBendtrans-91.317.9160.500000112.4
109V44.5Very low59Low128 Ų12899.3 Ų99.378%0.77658%0.582SS**SBendtrans-137.785.8171.6-176.80000107.8
110A45.2Very low58.2Low99 Ų9997.1 Ų97.182%0.81858%0.577SS**  trans-177.656.9161.900000110.2
111D36.5Very low57.7Low163 Ų163100.8 Ų100.887%0.87259%0.594SS**SBendtrans-101.9137.5155-140.7-15.2000107.7S113D111-S113 PolarHBondContact O-N 3.26Å
112A46Very low57.5Low99 Ų99103.2 Ų103.282%0.81861%0.607SS**SBendtrans-72.9115.6-153.100000114
113S38Very low57.5Low75 Ų7599.7 Ų99.752%0.52459%0.589SS.*  trans-159.6117.9154.753.80000112.4D111D111-S113 PolarHBondContact O-N 3.26Å
114V49.9Very low57.8Low124 Ų12495.5 Ų95.575%0.75258%0.578SS**  trans53.7141.9157.8-172.40000117.1R116V114-R116 PolarHBondContact O-N 2.96Å
115P43Very low58.7Low128 Ų12898.9 Ų98.983%0.83159%0.591SS**  trans-66.185.3167.228.8-35.7000110.5
116R54.2Low60Low150 Ų15097.7 Ų97.757%0.56659%0.586SS**  trans-66.4142.2170.7-79.8-172.6165.9144.60.2109.9V114 E120 E121V114-R116 PolarHBondContact O-N 2.96Å; R116-E120 VanDerWaalsContact CA-OE2 3.23Å; R116-E120 WeakPolarHBondContact CA-OE2 3.48Å; R116-E120 HydrophobicContact CB-CB 4.26Å; R116-E120 HydrophobicContact CG-CB 4.41Å; R116-E121 HydrophobicContact CB-CG 4.45Å
117T68Low61.9Low75 Ų7592.9 Ų92.946%0.4656%0.558SS.*  trans-72.2152.1171.770.50000109.3G119 E120 E121T117-G119 PolarHBondContact O-N 3.34Å; T117-G119 VanDerWaalsContact O-N 3.08Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 WeakPolarHBondContact O-CB 3.5Å; T117-E120 PolarHBondContact O-N 2.83Å; T117-E120 PolarHBondContact OG1-N 3.24Å; T117-E120 PolarHBondContact OG1-OE2 2.84Å; T117-E121 PolarHBondContact O-N 3.01Å
118R68.1Low63.9Low192 Ų19292.1 Ų92.173%0.72555%0.551SS**Hα-helixtrans-59.2-22.4177.1-73.5-177.1176.4175.6-0.7113.1L122R118-L122 VanDerWaalsContact O-CG 3.31Å; R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 2.88Å; R118-L122 VanDerWaalsContact O-N 3.09Å
119G71.7Confident66.3Low3 Ų388.8 Ų88.83%0.03152%0.521CS..Hα-helixtrans-63.8-49.7170.700000111.9T117 E121 L122 T123T117-G119 PolarHBondContact O-N 3.34Å; T117-G119 VanDerWaalsContact O-N 3.08Å; G119-E121 VanDerWaalsContact C-N 3.31Å; G119-E121 PolarHBondContact O-N 3.42Å; G119-L122 PolarHBondContact O-N 2.79Å; G119-T123 WeakPolarHBondContact O-CB 3.5Å; G119-T123 PolarHBondContact O-N 3.31Å; G119-T123 PolarHBondContact O-OG1 3.08Å
120E74.7Confident68.4Low92 Ų9283.6 Ų83.643%0.4349%0.488SS..Hα-helixtrans-62.1-35.4176.5-64.8171.6118.700112.7R116 T117 G124R116-E120 VanDerWaalsContact CA-OE2 3.23Å; R116-E120 WeakPolarHBondContact CA-OE2 3.48Å; R116-E120 HydrophobicContact CB-CB 4.26Å; R116-E120 HydrophobicContact CG-CB 4.41Å; T117-E120 PolarHBondContact N-OE2 3Å; T117-E120 WeakPolarHBondContact O-CB 3.5Å; T117-E120 PolarHBondContact O-N 2.83Å; T117-E120 PolarHBondContact OG1-N 3.24Å; T117-E120 PolarHBondContact OG1-OE2 2.84Å; E120-G124 PolarHBondContact O-N 3.38Å
121E78.8Confident70.6Confident97 Ų9785 Ų8545%0.45348%0.476SS..Hα-helixtrans-64.9-47.9173.9-66-175.7147.400111.8R116 T117 G119 G124 L125R116-E121 HydrophobicContact CB-CG 4.45Å; T117-E121 PolarHBondContact O-N 3.01Å; G119-E121 VanDerWaalsContact C-N 3.31Å; G119-E121 PolarHBondContact O-N 3.42Å; E121-G124 PolarHBondContact O-N 3.32Å; E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.35Å
122L81Confident73.2Confident81 Ų8185 Ų8542%0.42446%0.464SS..Hα-helixtrans-64.2-42.3177.7-73.3170.1000111.9R118 G119 L125 M126 L361R118-L122 VanDerWaalsContact O-CG 3.31Å; R118-L122 WeakPolarHBondContact O-CG 3.37Å; R118-L122 PolarHBondContact O-N 2.88Å; R118-L122 VanDerWaalsContact O-N 3.09Å; G119-L122 PolarHBondContact O-N 2.79Å; L122-L125 PolarHBondContact O-N 3.33Å; L122-M126 WeakPolarHBondContact O-CG 3.38Å; L122-M126 PolarHBondContact O-N 3.19Å; L122-L361 HydrophobicContact CD1-CD2 4.31Å
123T82.1Confident75.3Confident12 Ų1282.2 Ų82.27%0.07444%0.435CS..Hα-helixtrans-63.2-42.8175.1-61.30000110.9G119 L125 M126 A127 E368 I372G119-T123 WeakPolarHBondContact O-CB 3.5Å; G119-T123 PolarHBondContact O-N 3.31Å; G119-T123 PolarHBondContact O-OG1 3.08Å; T123-L125 PolarHBondContact O-N 2.89Å; T123-M126 PolarHBondContact O-N 3.13Å; T123-A127 VanDerWaalsContact O-CB 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.05Å; T123-E368 VanDerWaalsContact CG2-CD 3.42Å; T123-E368 HydrophobicContact CG2-CG 3.91Å; T123-E368 WeakPolarHBondContact CG2-OE1 3.34Å; T123-I372 HydrophobicContact CG2-CD1 3.91Å
124G82.8Confident77.8Confident46 Ų4681 Ų8147%0.47442%0.421SS..Hα-helixtrans-61.4-41.6174.100000113.3E120 E121 G128E120-G124 PolarHBondContact O-N 3.38Å; E121-G124 PolarHBondContact O-N 3.32Å; G124-G128 PolarHBondContact O-N 2.98Å
125L85.6Confident79.9Confident127 Ų12778.2 Ų78.267%0.66540%0.402SS*.Hα-helixtrans-65.8-43.4174.8-72.2171.8000112.1E121 L122 T123 G128 S129E121-L125 WeakPolarHBondContact O-CG 3.49Å; E121-L125 PolarHBondContact O-N 3.35Å; L122-L125 PolarHBondContact O-N 3.33Å; T123-L125 PolarHBondContact O-N 2.89Å; L125-G128 PolarHBondContact O-N 3.26Å; L125-S129 PolarHBondContact O-N 3.44Å
126M84.6Confident82.1Confident62 Ų6275.7 Ų75.731%0.30538%0.384SS..Hα-helixtrans-67.9-42.1177.2-73.3-151.2174.800112.2L122 T123 G128 S129 Q130 L369 I372 L373L122-M126 WeakPolarHBondContact O-CG 3.38Å; L122-M126 PolarHBondContact O-N 3.19Å; T123-M126 PolarHBondContact O-N 3.13Å; M126-G128 VanDerWaalsContact C-N 3.34Å; M126-G128 PolarHBondContact O-N 3.12Å; M126-S129 CarbonylContact O-C 3.57Å; M126-S129 WeakPolarHBondContact O-CA 3.32Å; M126-S129 WeakPolarHBondContact O-CB 3.48Å; M126-S129 PolarHBondContact O-N 2.84Å; M126-Q130 PolarHBondContact O-N 3.12Å; M126-L369 HydrophobicContact CB-CD2 4.19Å; M126-L369 HydrophobicContact CE-CD2 4.49Å; M126-L369 HydrophobicContact CG-CD2 3.93Å; M126-L369 HydrophobicContact SD-CD2 3.6Å; M126-L369 VanDerWaalsContact SD-CD2 3.6Å; M126-I372 HydrophobicContact CB-CD1 4.47Å; M126-I372 HydrophobicContact CB-CG2 3.84Å; M126-L373 HydrophobicContact CE-CD1 4.48Å; M126-L373 HydrophobicContact CE-CD2 4.1Å; M126-L373 HydrophobicContact CE-CG 4.46Å; M126-L373 HydrophobicContact SD-CD1 4.39Å; M126-L373 HydrophobicContact SD-CD2 3.91Å; M126-L373 HydrophobicContact SD-CG 3.94Å
127A85.3Confident83.8Confident40 Ų4069.2 Ų69.233%0.33136%0.363SS..Hα-helixtrans-62.1-40.4174.300000111.8T123 S129 Q130 K131 I372T123-A127 VanDerWaalsContact O-CB 3.26Å; T123-A127 WeakPolarHBondContact O-CB 3.47Å; T123-A127 PolarHBondContact O-N 3.05Å; A127-S129 VanDerWaalsContact C-N 3.28Å; A127-S129 PolarHBondContact O-N 3.11Å; A127-Q130 PolarHBondContact O-N 3.2Å; A127-K131 WeakPolarHBondContact O-CB 3.38Å; A127-K131 PolarHBondContact O-N 2.94Å; A127-I372 HydrophobicContact CB-CD1 4.29Å
128G85.2Confident85Confident34 Ų3472.6 Ų72.635%0.35137%0.367SS..Hα-helixtrans-63.4-32.217100000113.2G124 L125 M126 R132G124-G128 PolarHBondContact O-N 2.98Å; L125-G128 PolarHBondContact O-N 3.26Å; M126-G128 VanDerWaalsContact C-N 3.34Å; M126-G128 PolarHBondContact O-N 3.12Å; G128-R132 VanDerWaalsContact O-CG 3.32Å; G128-R132 WeakPolarHBondContact O-CG 3.44Å; G128-R132 PolarHBondContact O-N 3.43Å; G128-R132 PolarHBondContact O-NE 2.89Å
129S87.2Confident86.2Confident37 Ų3767.5 Ų67.526%0.25936%0.357SS..Hα-helixtrans-73.1-43.4173.6-142.20000112.6L125 M126 A127 R132 L133L125-S129 PolarHBondContact O-N 3.44Å; M126-S129 CarbonylContact O-C 3.57Å; M126-S129 WeakPolarHBondContact O-CA 3.32Å; M126-S129 WeakPolarHBondContact O-CB 3.48Å; M126-S129 PolarHBondContact O-N 2.84Å; A127-S129 VanDerWaalsContact C-N 3.28Å; A127-S129 PolarHBondContact O-N 3.11Å; S129-R132 PolarHBondContact O-N 2.75Å; S129-R132 PolarHBondContact OG-NH2 2.98Å; S129-R132 VanDerWaalsContact OG-NH2 3.09Å; S129-L133 PolarHBondContact O-N 2.88Å
130Q88.9Confident87.1Confident20 Ų2068.3 Ų68.39%0.09336%0.361CS..Hα-helixtrans-57.5-50173.4-172-163.8-50.200110.6M126 A127 R132 L133 E134 I372 R375 M376 L379M126-Q130 PolarHBondContact O-N 3.12Å; A127-Q130 PolarHBondContact O-N 3.2Å; Q130-R132 PolarHBondContact O-N 3.06Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.2Å; Q130-L133 VanDerWaalsContact O-N 3.1Å; Q130-E134 PolarHBondContact NE2-OE1 3.41Å; Q130-E134 WeakPolarHBondContact O-CG 3.39Å; Q130-E134 PolarHBondContact O-N 3.17Å; Q130-I372 HydrophobicContact CB-CG2 4.08Å; Q130-R375 HydrophobicContact CG-CB 4.39Å; Q130-M376 HydrophobicContact CB-CG 3.71Å; Q130-M376 HydrophobicContact CB-SD 4.21Å; Q130-M376 HydrophobicContact CG-CG 3.92Å; Q130-L379 HydrophobicContact CG-CD1 4.03Å
131K91.8Very high87.8Confident128 Ų12868.6 Ų68.656%0.55736%0.362SS*.Hα-helixtrans-58.6-44.3179-177.2178.6176.3-177.40112.4A127 L133 E134 D135A127-K131 WeakPolarHBondContact O-CB 3.38Å; A127-K131 PolarHBondContact O-N 2.94Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.97Å; K131-E134 WeakPolarHBondContact O-CB 3.41Å; K131-E134 PolarHBondContact O-N 3.37Å; K131-D135 WeakPolarHBondContact O-CB 3.38Å; K131-D135 VanDerWaalsContact O-CG 3.28Å; K131-D135 PolarHBondContact O-N 3.45Å
132R90Very high88.6Confident162 Ų16268.6 Ų68.661%0.61136%0.362SS*.Hα-helixtrans-61.6-39.9176.1-73.3-179.4-55.8154.610.2111.8G128 S129 Q130 D135 T136G128-R132 VanDerWaalsContact O-CG 3.32Å; G128-R132 WeakPolarHBondContact O-CG 3.44Å; G128-R132 PolarHBondContact O-N 3.43Å; G128-R132 PolarHBondContact O-NE 2.89Å; S129-R132 PolarHBondContact O-N 2.75Å; S129-R132 PolarHBondContact OG-NH2 2.98Å; S129-R132 VanDerWaalsContact OG-NH2 3.09Å; Q130-R132 PolarHBondContact O-N 3.06Å; R132-D135 PolarHBondContact O-N 3.28Å; R132-T136 WeakPolarHBondContact O-CB 3.3Å; R132-T136 PolarHBondContact O-N 3.35Å; R132-T136 PolarHBondContact O-OG1 2.87Å; R132-T136 VanDerWaalsContact O-OG1 3.08Å
133L89.9Confident89.1Confident41 Ų4168.9 Ų68.922%0.21536%0.361CS..Hα-helixtrans-67.2-38.8176.9-17561000112.1S129 Q130 K131 T136 A137 M376 L379 A380S129-L133 PolarHBondContact O-N 2.88Å; Q130-L133 WeakPolarHBondContact O-CB 3.49Å; Q130-L133 PolarHBondContact O-N 3.2Å; Q130-L133 VanDerWaalsContact O-N 3.1Å; K131-L133 VanDerWaalsContact C-N 3.31Å; K131-L133 PolarHBondContact O-N 2.97Å; L133-T136 PolarHBondContact O-N 3.09Å; L133-A137 WeakPolarHBondContact O-CB 3.21Å; L133-A137 PolarHBondContact O-N 2.89Å; L133-M376 HydrophobicContact CD2-CB 4.29Å; L133-M376 HydrophobicContact CD2-CE 4.48Å; L133-M376 WeakPolarHBondContact CD2-O 3.31Å; L133-L379 HydrophobicContact CD2-CB 3.78Å; L133-L379 HydrophobicContact CG-CB 3.9Å; L133-A380 HydrophobicContact CD2-CB 4.33Å
134E91.8Very high89.4Confident51 Ų5168.3 Ų68.324%0.23836%0.357CS..Hα-helixtrans-61.5-45.8170.9-69.1175.9-162.500112.1Q130 K131 T136 A137 R138 L379Q130-E134 PolarHBondContact NE2-OE1 3.41Å; Q130-E134 WeakPolarHBondContact O-CG 3.39Å; Q130-E134 PolarHBondContact O-N 3.17Å; K131-E134 WeakPolarHBondContact O-CB 3.41Å; K131-E134 PolarHBondContact O-N 3.37Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 2.88Å; E134-A137 PolarHBondContact O-N 2.9Å; E134-R138 WeakPolarHBondContact O-CG 3.49Å; E134-R138 PolarHBondContact O-N 2.83Å; E134-R138 IonicContact OE2-NH2 3.63Å; E134-R138 PolarHBondContact OE2-NH2 2.81Å; E134-L379 HydrophobicContact CG-CD1 3.4Å; E134-L379 VanDerWaalsContact CG-CD1 3.4Å; E134-L379 HydrophobicContact CG-CD2 3.93Å; E134-L379 HydrophobicContact CG-CG 4.32Å
135D93.3Very high89.8Confident65 Ų6570.6 Ų70.635%0.34836%0.355SS..Hα-helixtrans-64.3-38.6178.4-67.7-24.1000110.6K131 R132 R138 V139K131-D135 WeakPolarHBondContact O-CB 3.38Å; K131-D135 VanDerWaalsContact O-CG 3.28Å; K131-D135 PolarHBondContact O-N 3.45Å; R132-D135 PolarHBondContact O-N 3.28Å; D135-R138 IonicContact OD1-CZ 3.67Å; D135-R138 IonicContact OD1-NH1 3.38Å; D135-R138 PolarHBondContact OD1-NH1 2.88Å; D135-V139 WeakPolarHBondContact O-CG2 3.48Å; D135-V139 PolarHBondContact O-N 2.87Å; D135-V139 VanDerWaalsContact O-N 3.17Å
136T89.9Confident90.2Very high74 Ų7469.7 Ų69.745%0.45435%0.348SS..Hα-helixtrans-64-45.2171.3-63.90000112.4R132 L133 E134 R138 V139 L140R132-T136 WeakPolarHBondContact O-CB 3.3Å; R132-T136 PolarHBondContact O-N 3.35Å; R132-T136 PolarHBondContact O-OG1 2.87Å; R132-T136 VanDerWaalsContact O-OG1 3.08Å; L133-T136 PolarHBondContact O-N 3.09Å; E134-T136 VanDerWaalsContact C-N 3.32Å; E134-T136 PolarHBondContact O-N 2.88Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 2.83Å; T136-V139 PolarHBondContact O-N 3.37Å; T136-V139 VanDerWaalsContact O-N 3.09Å; T136-L140 HydrophobicContact CG2-CD1 4.15Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 WeakPolarHBondContact O-CG 3.47Å; T136-L140 PolarHBondContact O-N 3.14Å
137A89.5Confident90.4Very high15 Ų1568.1 Ų68.112%0.12434%0.34CS..Hα-helixtrans-60.5-38.9178.300000112.1L133 E134 L140 H141L133-A137 WeakPolarHBondContact O-CB 3.21Å; L133-A137 PolarHBondContact O-N 2.89Å; E134-A137 PolarHBondContact O-N 2.9Å; A137-L140 PolarHBondContact O-N 2.79Å; A137-H141 WeakPolarHBondContact O-CB 3.44Å; A137-H141 PolarHBondContact O-N 3.42Å
138R91.8Very high90.6Very high146 Ų14668.9 Ų68.955%0.55134%0.339SS*.Hα-helixtrans-64.2-39.1172.9-67.4-177.8-154122.516112.7E134 D135 T136 H142E134-R138 WeakPolarHBondContact O-CG 3.49Å; E134-R138 PolarHBondContact O-N 2.83Å; E134-R138 IonicContact OE2-NH2 3.63Å; E134-R138 PolarHBondContact OE2-NH2 2.81Å; D135-R138 IonicContact OD1-CZ 3.67Å; D135-R138 IonicContact OD1-NH1 3.38Å; D135-R138 PolarHBondContact OD1-NH1 2.88Å; T136-R138 VanDerWaalsContact C-N 3.31Å; T136-R138 PolarHBondContact O-N 2.83Å; R138-H142 WeakPolarHBondContact O-CB 3.27Å; R138-H142 PolarHBondContact O-N 3.47Å
139V93.4Very high90.9Very high84 Ų8470.4 Ų70.451%0.50934%0.344SS..Hα-helixtrans-66.9-44.8176.3171.40000110.8D135 T136 H142 Q143D135-V139 WeakPolarHBondContact O-CG2 3.48Å; D135-V139 PolarHBondContact O-N 2.87Å; D135-V139 VanDerWaalsContact O-N 3.17Å; T136-V139 PolarHBondContact O-N 3.37Å; T136-V139 VanDerWaalsContact O-N 3.09Å; V139-H142 PolarHBondContact O-N 3.42Å; V139-Q143 HydrophobicContact CG1-CG 4.45Å; V139-Q143 WeakPolarHBondContact O-CG 3.21Å; V139-Q143 PolarHBondContact O-N 3.25Å
140L90.8Very high91.1Very high21 Ų2172.1 Ų72.111%0.1135%0.353CS..Hα-helixtrans-56.9-53.2174.7-72.3173.3000110.6T136 A137 H142 Q143 G144 A383 E386 L387 Q390T136-L140 HydrophobicContact CG2-CD1 4.15Å; T136-L140 HydrophobicContact CG2-CG 4.34Å; T136-L140 WeakPolarHBondContact O-CG 3.47Å; T136-L140 PolarHBondContact O-N 3.14Å; A137-L140 PolarHBondContact O-N 2.79Å; L140-H142 PolarHBondContact O-N 2.75Å; L140-Q143 WeakPolarHBondContact O-CA 3.39Å; L140-Q143 WeakPolarHBondContact O-CB 3.33Å; L140-Q143 PolarHBondContact O-N 3.26Å; L140-G144 PolarHBondContact O-N 2.66Å; L140-A383 HydrophobicContact CD1-CB 3.78Å; L140-E386 HydrophobicContact CB-CG 4.4Å; L140-L387 HydrophobicContact CD1-CD1 4.41Å; L140-L387 HydrophobicContact CD1-CG 4.22Å; L140-L387 HydrophobicContact CD2-CD2 3.67Å; L140-L387 HydrophobicContact CD2-CG 4.21Å; L140-Q390 PolarHBondContact O-NE2 2.86Å
141H91.2Very high91.1Very high98 Ų9873.3 Ų73.345%0.45436%0.359SS..Hα-helixtrans-58.1-36.1178.6-172.468.3000112.8A137 G144 Q145A137-H141 WeakPolarHBondContact O-CB 3.44Å; A137-H141 PolarHBondContact O-N 3.42Å; H141-G144 PolarHBondContact O-N 2.86Å; H141-Q145 PolarHBondContact CD2-NE2 2.92Å; H141-Q145 VanDerWaalsContact CD2-NE2 3.26Å; H141-Q145 PolarHBondContact NE2-NE2 3.17Å; H141-Q145 WeakPolarHBondContact O-CG 3.5Å; H141-Q145 PolarHBondContact O-N 2.94Å; H141-Q145 VanDerWaalsContact O-N 3.12Å
142H94.1Very high91.1Very high97 Ų9774.7 Ų74.745%0.44936%0.361SS..Hα-helixtrans-68.9-37.4173.6-173.860000113.2R138 V139 L140 G144 Q145 Q146R138-H142 WeakPolarHBondContact O-CB 3.27Å; R138-H142 PolarHBondContact O-N 3.47Å; V139-H142 PolarHBondContact O-N 3.42Å; L140-H142 PolarHBondContact O-N 2.75Å; H142-G144 VanDerWaalsContact C-N 3.32Å; H142-Q145 PolarHBondContact O-N 2.75Å; H142-Q146 PolarHBondContact CD2-NE2 2.71Å; H142-Q146 PolarHBondContact NE2-NE2 2.77Å; H142-Q146 WeakPolarHBondContact O-CG 3.29Å; H142-Q146 PolarHBondContact O-N 3.08Å
143Q91.4Very high91.1Very high87 Ų8768.8 Ų68.841%0.40735%0.351SS..Hα-helixtrans-63.5-39173.4-71.8175.4-58.500111.5V139 L140 Q146 L147V139-Q143 HydrophobicContact CG1-CG 4.45Å; V139-Q143 WeakPolarHBondContact O-CG 3.21Å; V139-Q143 PolarHBondContact O-N 3.25Å; L140-Q143 WeakPolarHBondContact O-CA 3.39Å; L140-Q143 WeakPolarHBondContact O-CB 3.33Å; L140-Q143 PolarHBondContact O-N 3.26Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 2.96Å; Q143-Q146 VanDerWaalsContact O-N 3.12Å; Q143-L147 PolarHBondContact O-N 3.11Å
144G89.4Confident91.2Very high0 Ų067.8 Ų67.80%035%0.345CS..Hα-helixtrans-58-49.117200000112.2L140 H141 H142 Q146 L147 D148 E386 R389 Q390L140-G144 PolarHBondContact O-N 2.66Å; H141-G144 PolarHBondContact O-N 2.86Å; H142-G144 VanDerWaalsContact C-N 3.32Å; G144-Q146 PolarHBondContact O-N 3.13Å; G144-L147 WeakPolarHBondContact O-CB 3.5Å; G144-L147 PolarHBondContact O-N 2.75Å; G144-L147 VanDerWaalsContact O-N 3.1Å; G144-D148 PolarHBondContact O-N 3.36Å; G144-E386 WeakPolarHBondContact CA-OE1 3.45Å; G144-R389 VanDerWaalsContact CA-NH2 3.32Å; G144-Q390 VanDerWaalsContact N-NE2 3.1Å
145Q90.9Very high91Very high93 Ų9369.2 Ų69.244%0.43535%0.354SS..Hα-helixtrans-60-31.6174.8-67.7174.14.600113.3H141 H142 S149H141-Q145 PolarHBondContact CD2-NE2 2.92Å; H141-Q145 VanDerWaalsContact CD2-NE2 3.26Å; H141-Q145 PolarHBondContact NE2-NE2 3.17Å; H141-Q145 WeakPolarHBondContact O-CG 3.5Å; H141-Q145 PolarHBondContact O-N 2.94Å; H141-Q145 VanDerWaalsContact O-N 3.12Å; H142-Q145 PolarHBondContact O-N 2.75Å; Q145-S149 PolarHBondContact O-N 3.12Å; Q145-S149 VanDerWaalsContact O-N 3.15Å
146Q93.4Very high90.9Very high108 Ų10872.5 Ų72.551%0.50537%0.366SS..Hα-helixtrans-69.9-43.8173.4-70.5-176.35.100111.4H142 Q143 G144 D148 S149 V150H142-Q146 PolarHBondContact CD2-NE2 2.71Å; H142-Q146 PolarHBondContact NE2-NE2 2.77Å; H142-Q146 WeakPolarHBondContact O-CG 3.29Å; H142-Q146 PolarHBondContact O-N 3.08Å; Q143-Q146 WeakPolarHBondContact O-CB 3.43Å; Q143-Q146 PolarHBondContact O-N 2.96Å; Q143-Q146 VanDerWaalsContact O-N 3.12Å; G144-Q146 PolarHBondContact O-N 3.13Å; Q146-D148 PolarHBondContact O-N 3.36Å; Q146-S149 CarbonylContact O-C 3.59Å; Q146-S149 WeakPolarHBondContact O-CA 3.33Å; Q146-S149 WeakPolarHBondContact O-CB 3.39Å; Q146-S149 PolarHBondContact O-N 2.95Å; Q146-V150 WeakPolarHBondContact O-CG2 3.36Å; Q146-V150 PolarHBondContact O-N 3.47Å
147L89.3Confident91Very high29 Ų2972.9 Ų72.915%0.15236%0.363CS..Hα-helixtrans-60.5-43.6173.6-71.3169.6000111.7Q143 G144 S149 V150 M151 Q390 L394Q143-L147 PolarHBondContact O-N 3.11Å; G144-L147 WeakPolarHBondContact O-CB 3.5Å; G144-L147 PolarHBondContact O-N 2.75Å; G144-L147 VanDerWaalsContact O-N 3.1Å; L147-S149 PolarHBondContact O-N 2.97Å; L147-V150 PolarHBondContact O-N 3.47Å; L147-M151 PolarHBondContact O-N 3.37Å; L147-Q390 HydrophobicContact CD1-CB 3.9Å; L147-Q390 HydrophobicContact CD1-CG 3.83Å; L147-L394 HydrophobicContact CD1-CD2 4.39Å; L147-L394 HydrophobicContact CD1-CG 4.14Å; L147-L394 HydrophobicContact CD2-CD2 3.64Å; L147-L394 HydrophobicContact CD2-CG 4.22Å
148D89.4Confident91Very high57 Ų5774.9 Ų74.931%0.30537%0.37SS..Hα-helixtrans-60.8-26.7174.1-58-39.1000112.1G144 Q146 R152 R389G144-D148 PolarHBondContact O-N 3.36Å; Q146-D148 PolarHBondContact O-N 3.36Å; D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-NE 2.89Å; D148-R389 IonicContact OD1-CZ 2.75Å; D148-R389 IonicContact OD1-NH1 3.51Å; D148-R389 PolarHBondContact OD1-NH1 3.35Å; D148-R389 IonicContact OD1-NH2 2.66Å; D148-R389 IonicContact OD2-CZ 3.8Å; D148-R389 IonicContact OD2-NH1 3.73Å; D148-R389 PolarHBondContact OD2-NH1 3.09Å; D148-R389 IonicContact OD2-NH2 3.57Å; D148-R389 PolarHBondContact OD2-NH2 3.42Å
149S90.8Very high90.8Very high65 Ų6571 Ų7146%0.45537%0.365SS..Hα-helixtrans-81.6-32.3172.6-165.80000113.4Q145 Q146 L147 G153Q145-S149 PolarHBondContact O-N 3.12Å; Q145-S149 VanDerWaalsContact O-N 3.15Å; Q146-S149 CarbonylContact O-C 3.59Å; Q146-S149 WeakPolarHBondContact O-CA 3.33Å; Q146-S149 WeakPolarHBondContact O-CB 3.39Å; Q146-S149 PolarHBondContact O-N 2.95Å; L147-S149 PolarHBondContact O-N 2.97Å; S149-G153 PolarHBondContact O-N 3.01Å
150V91.5Very high90.7Very high73 Ų7371.3 Ų71.344%0.44236%0.364SS..Hα-helixtrans-68-45.6174.1171.20000110Q146 L147 R152 G153 L154 V397Q146-V150 WeakPolarHBondContact O-CG2 3.36Å; Q146-V150 PolarHBondContact O-N 3.47Å; L147-V150 PolarHBondContact O-N 3.47Å; V150-R152 PolarHBondContact O-N 2.88Å; V150-G153 CarbonylContact O-C 3.55Å; V150-G153 WeakPolarHBondContact O-CA 3.34Å; V150-G153 PolarHBondContact O-N 3.19Å; V150-L154 HydrophobicContact CG1-CD1 4.01Å; V150-L154 HydrophobicContact CG1-CG 4.47Å; V150-L154 PolarHBondContact O-N 2.96Å; V150-V397 HydrophobicContact CG1-CG1 4.25Å; V150-V397 HydrophobicContact CG1-CG2 4.21Å
151M89.7Confident90.6Very high46 Ų4671.3 Ų71.323%0.22736%0.364CS..Hα-helixtrans-55-52.9177.1-166.373.579.300111.5L147 G153 L154 D155 A393 V397L147-M151 PolarHBondContact O-N 3.37Å; M151-G153 PolarHBondContact O-N 3.19Å; M151-G153 VanDerWaalsContact O-N 3.16Å; M151-L154 CarbonylContact O-C 3.49Å; M151-L154 WeakPolarHBondContact O-CA 3.26Å; M151-L154 WeakPolarHBondContact O-CB 3.49Å; M151-L154 PolarHBondContact O-N 3.5Å; M151-D155 PolarHBondContact O-N 3.48Å; M151-A393 VanDerWaalsContact CE-O 3.32Å; M151-A393 WeakPolarHBondContact CE-O 3.49Å; M151-V397 HydrophobicContact CE-CG2 3.8Å; M151-V397 HydrophobicContact SD-CG2 4.02Å
152R90.9Very high90.5Very high157 Ų15772.9 Ų72.959%0.59237%0.372SS*.Hα-helixtrans-59.4-29176-73.3177.9-71153-2.4113.6D148 V150 K156D148-R152 WeakPolarHBondContact O-CG 3.4Å; D148-R152 PolarHBondContact O-NE 2.89Å; V150-R152 PolarHBondContact O-N 2.88Å; R152-K156 WeakPolarHBondContact O-CB 3.24Å; R152-K156 PolarHBondContact O-N 2.88Å
153G91.4Very high90.2Very high38 Ų3872.2 Ų72.239%0.39237%0.374SS..Hα-helixtrans-70.8-36.9172.800000112.9S149 V150 M151 M157S149-G153 PolarHBondContact O-N 3.01Å; V150-G153 CarbonylContact O-C 3.55Å; V150-G153 WeakPolarHBondContact O-CA 3.34Å; V150-G153 PolarHBondContact O-N 3.19Å; M151-G153 PolarHBondContact O-N 3.19Å; M151-G153 VanDerWaalsContact O-N 3.16Å; G153-M157 WeakPolarHBondContact O-CB 3.49Å; G153-M157 PolarHBondContact O-N 2.87Å
154L90.5Very high89.9Confident20 Ų2069.6 Ų69.611%0.10537%0.368CS..Hα-helixtrans-73.4-42.6175.6-67.4167.8000111.9V150 M151 K156 M157 E158 V397 A400 V401V150-L154 HydrophobicContact CG1-CD1 4.01Å; V150-L154 HydrophobicContact CG1-CG 4.47Å; V150-L154 PolarHBondContact O-N 2.96Å; M151-L154 CarbonylContact O-C 3.49Å; M151-L154 WeakPolarHBondContact O-CA 3.26Å; M151-L154 WeakPolarHBondContact O-CB 3.49Å; M151-L154 PolarHBondContact O-N 3.5Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.43Å; L154-M157 HydrophobicContact CD2-CE 4.44Å; L154-M157 CarbonylContact O-C 3.56Å; L154-M157 WeakPolarHBondContact O-CA 3.26Å; L154-M157 WeakPolarHBondContact O-CB 3.3Å; L154-M157 PolarHBondContact O-N 3.04Å; L154-E158 PolarHBondContact O-N 3.26Å; L154-V397 HydrophobicContact CD1-CB 4.32Å; L154-V397 HydrophobicContact CD1-CG1 3.89Å; L154-V397 HydrophobicContact CD1-CG2 4.24Å; L154-A400 HydrophobicContact CB-CB 4.1Å; L154-A400 HydrophobicContact CD1-CB 4.07Å; L154-V401 HydrophobicContact CD1-CG2 3.83Å; L154-V401 HydrophobicContact CD2-CG2 3.81Å
155D88.9Confident89.8Confident80 Ų8071.4 Ų71.443%0.42838%0.377SS..Hα-helixtrans-57.4-42.3173.4-61.6-33.1000111M151 E158 S159M151-D155 PolarHBondContact O-N 3.48Å; D155-E158 PolarHBondContact O-N 3.21Å; D155-S159 PolarHBondContact O-N 3.1Å
156K91.8Very high89.5Confident135 Ų13575 Ų7559%0.58739%0.387SS*.Hα-helixtrans-64-43.9173.7-171.9-169.7170-1660111.5R152 L154 E158 S159 D160R152-K156 WeakPolarHBondContact O-CB 3.24Å; R152-K156 PolarHBondContact O-N 2.88Å; L154-K156 VanDerWaalsContact C-N 3.26Å; L154-K156 PolarHBondContact O-N 3.43Å; K156-E158 VanDerWaalsContact C-N 3.31Å; K156-E158 PolarHBondContact O-N 3.49Å; K156-S159 PolarHBondContact O-N 2.94Å; K156-D160 WeakPolarHBondContact CE-OD2 3.29Å; K156-D160 PolarHBondContact O-N 3.34Å
157M90.7Very high89Confident82 Ų8274.4 Ų74.440%0.40439%0.387SS..Hα-helixtrans-62-38.8177.7-170.3-174.6-56.100111.8G153 L154 D160 L161 A404G153-M157 WeakPolarHBondContact O-CB 3.49Å; G153-M157 PolarHBondContact O-N 2.87Å; L154-M157 HydrophobicContact CD2-CE 4.44Å; L154-M157 CarbonylContact O-C 3.56Å; L154-M157 WeakPolarHBondContact O-CA 3.26Å; L154-M157 WeakPolarHBondContact O-CB 3.3Å; L154-M157 PolarHBondContact O-N 3.04Å; M157-D160 PolarHBondContact O-N 3.45Å; M157-L161 HydrophobicContact CG-CD1 4.26Å; M157-L161 WeakPolarHBondContact O-CB 3.43Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 3.47Å; M157-A404 HydrophobicContact SD-CB 4.32Å
158E88.9Confident88.4Confident57 Ų5774.1 Ų74.127%0.26639%0.385SS..Hα-helixtrans-61.9-45.3173.8-174.6162.9-138.900111L154 D155 K156 L161 E162 R403L154-E158 PolarHBondContact O-N 3.26Å; D155-E158 PolarHBondContact O-N 3.21Å; K156-E158 VanDerWaalsContact C-N 3.31Å; K156-E158 PolarHBondContact O-N 3.49Å; E158-L161 CarbonylContact O-C 3.42Å; E158-L161 WeakPolarHBondContact O-CB 3.32Å; E158-L161 PolarHBondContact O-N 3.12Å; E158-E162 PolarHBondContact O-N 3.05Å; E158-R403 IonicContact OE1-CZ 2.75Å; E158-R403 IonicContact OE1-NH1 3.19Å; E158-R403 PolarHBondContact OE1-NH1 3.28Å; E158-R403 IonicContact OE2-CZ 3.57Å; E158-R403 IonicContact OE2-NH1 3.68Å; E158-R403 PolarHBondContact OE2-NH1 3.33Å; E158-R403 IonicContact OE2-NH2 3.85Å
159S88.9Confident87.9Confident63 Ų6374.4 Ų74.444%0.44139%0.389SS..Hα-helixtrans-63.2-42.3174.5-168.50000113.3D155 K156 L161 E162 V163D155-S159 PolarHBondContact O-N 3.1Å; K156-S159 PolarHBondContact O-N 2.94Å; S159-L161 PolarHBondContact O-N 2.94Å; S159-E162 PolarHBondContact O-N 2.96Å; S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.42Å; S159-V163 VanDerWaalsContact O-N 3.09Å
160D90.9Very high87.2Confident91 Ų9176.2 Ų76.249%0.48739%0.39SS..Hα-helixtrans-62.2-34174.7-72.8-25.6000110.9K156 M157 A164K156-D160 WeakPolarHBondContact CE-OD2 3.29Å; K156-D160 PolarHBondContact O-N 3.34Å; M157-D160 PolarHBondContact O-N 3.45Å; D160-A164 PolarHBondContact O-N 3.3Å; D160-A164 VanDerWaalsContact O-N 3.09Å
161L89.5Confident86Confident22 Ų2278 Ų7812%0.11540%0.397CS..Hα-helixtrans-72.6-36.4173.4-71.5168.3000112.9M157 E158 S159 V163 A164 D165 A404 T407 I408 H411M157-L161 HydrophobicContact CG-CD1 4.26Å; M157-L161 WeakPolarHBondContact O-CB 3.43Å; M157-L161 WeakPolarHBondContact O-CG 3.44Å; M157-L161 PolarHBondContact O-N 3.47Å; E158-L161 CarbonylContact O-C 3.42Å; E158-L161 WeakPolarHBondContact O-CB 3.32Å; E158-L161 PolarHBondContact O-N 3.12Å; S159-L161 PolarHBondContact O-N 2.94Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.78Å; L161-A164 CarbonylContact O-C 3.58Å; L161-A164 WeakPolarHBondContact O-CB 3.45Å; L161-A164 PolarHBondContact O-N 3.02Å; L161-A164 VanDerWaalsContact O-N 3.17Å; L161-D165 PolarHBondContact O-N 3.24Å; L161-A404 HydrophobicContact CD1-CB 4.14Å; L161-T407 HydrophobicContact CB-CG2 3.97Å; L161-T407 HydrophobicContact CD1-CG2 4.27Å; L161-I408 HydrophobicContact CD1-CD1 4.24Å; L161-I408 HydrophobicContact CD1-CG1 3.87Å; L161-I408 HydrophobicContact CD2-CG1 3.61Å; L161-I408 HydrophobicContact CG-CG1 4.4Å; L161-H411 WeakPolarHBondContact CA-CE1 3.41Å; L161-H411 WeakPolarHBondContact CB-CE1 3.35Å; L161-H411 PolarHBondContact O-CE1 3.38Å
162E88.2Confident84.8Confident131 Ų13179.9 Ų79.961%0.61241%0.405SS*.Hα-helixtrans-60.8-41.8172-71-173.1151.900111.6E158 S159 A164 D165 R166E158-E162 PolarHBondContact O-N 3.05Å; S159-E162 PolarHBondContact O-N 2.96Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 2.63Å; E162-D165 PolarHBondContact O-N 3.3Å; E162-R166 PolarHBondContact O-N 3.13Å
163V88.5Confident83Confident82 Ų8276 Ų7650%0.49740%0.402SS..Hα-helixtrans-61.3-41.9173.1176.30000110.8S159 L161 R166 L167S159-V163 WeakPolarHBondContact O-CG2 3.31Å; S159-V163 PolarHBondContact O-N 3.42Å; S159-V163 VanDerWaalsContact O-N 3.09Å; L161-V163 VanDerWaalsContact C-N 3.31Å; L161-V163 PolarHBondContact O-N 2.78Å; V163-R166 PolarHBondContact O-N 2.85Å; V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 WeakPolarHBondContact O-CG 3.45Å; V163-L167 PolarHBondContact O-N 2.98Å
164A85.3Confident81.2Confident33 Ų3376.5 Ų76.527%0.27340%0.398SS..Hα-helixtrans-64.2-39.1174.900000113D160 L161 E162 R166 L167 L168D160-A164 PolarHBondContact O-N 3.3Å; D160-A164 VanDerWaalsContact O-N 3.09Å; L161-A164 CarbonylContact O-C 3.58Å; L161-A164 WeakPolarHBondContact O-CB 3.45Å; L161-A164 PolarHBondContact O-N 3.02Å; L161-A164 VanDerWaalsContact O-N 3.17Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 2.63Å; A164-R166 VanDerWaalsContact C-N 3.31Å; A164-R166 PolarHBondContact O-N 2.79Å; A164-L167 PolarHBondContact O-N 2.9Å; A164-L168 WeakPolarHBondContact O-CB 3.29Å; A164-L168 WeakPolarHBondContact O-CG 3.46Å; A164-L168 PolarHBondContact O-N 2.8Å
165D86Confident79.1Confident38 Ų3881 Ų8120%0.20344%0.438CS..Hα-helixtrans-64.8-36.9177-154.663.5000111.7L161 E162 T169 K410 H411 R414L161-D165 PolarHBondContact O-N 3.24Å; E162-D165 PolarHBondContact O-N 3.3Å; D165-T169 WeakPolarHBondContact O-CB 3.33Å; D165-T169 PolarHBondContact O-N 3.19Å; D165-T169 PolarHBondContact O-OG1 3.22Å; D165-K410 WeakPolarHBondContact OD1-CE 3.44Å; D165-K410 IonicContact OD1-NZ 2.8Å; D165-K410 PolarHBondContact OD1-NZ 3.13Å; D165-K410 IonicContact OD2-NZ 3.65Å; D165-K410 PolarHBondContact OD2-NZ 2.91Å; D165-H411 WeakPolarHBondContact CA-NE2 3.42Å; D165-H411 WeakPolarHBondContact CB-NE2 3.38Å; D165-H411 IonicContact OD1-CD2 2.8Å; D165-H411 PolarHBondContact OD1-CD2 3.28Å; D165-H411 VanDerWaalsContact OD1-CD2 3.24Å; D165-H411 IonicContact OD1-NE2 3.25Å; D165-H411 PolarHBondContact OD1-NE2 2.88Å; D165-H411 IonicContact OD2-NE2 2.84Å; D165-R414 PolarHBondContact O-NH1 3.05Å; D165-R414 VanDerWaalsContact O-NH1 3.12Å; D165-R414 IonicContact OD1-CZ 3.1Å; D165-R414 IonicContact OD1-NH1 3.44Å; D165-R414 PolarHBondContact OD1-NH1 3.21Å; D165-R414 IonicContact OD2-NH1 3.27Å
166R85.2Confident77.7Confident169 Ų16986.6 Ų86.664%0.63845%0.453SS*.Hα-helixtrans-64.7-50.4172.9179.8178.9171.4166.90.6111.7E162 V163 A164 L168 T169 E170E162-R166 PolarHBondContact O-N 3.13Å; V163-R166 PolarHBondContact O-N 2.85Å; A164-R166 VanDerWaalsContact C-N 3.31Å; A164-R166 PolarHBondContact O-N 2.79Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 2.88Å; R166-T169 WeakPolarHBondContact O-CA 3.44Å; R166-T169 WeakPolarHBondContact O-CB 3.36Å; R166-T169 PolarHBondContact O-N 3.26Å; R166-E170 IonicContact CZ-OE1 3.73Å; R166-E170 IonicContact NE-OE1 2.72Å; R166-E170 PolarHBondContact NE-OE1 2.94Å; R166-E170 IonicContact NH2-OE1 3.11Å; R166-E170 PolarHBondContact NH2-OE1 3.47Å; R166-E170 PolarHBondContact O-N 2.9Å
167L82.6Confident75.6Confident95 Ų9587.1 Ų87.150%0.49745%0.452SS..Hα-helixtrans-61-41.5178.7-69.9173.9000112V163 A164 T169 E170 L171V163-L167 HydrophobicContact CG1-CD1 4.28Å; V163-L167 WeakPolarHBondContact O-CG 3.45Å; V163-L167 PolarHBondContact O-N 2.98Å; A164-L167 PolarHBondContact O-N 2.9Å; L167-T169 PolarHBondContact O-N 2.97Å; L167-E170 PolarHBondContact O-N 3.02Å; L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.5Å; L167-L171 PolarHBondContact O-N 3.38Å
168L77.5Confident73.6Confident22 Ų2288.3 Ų88.312%0.11547%0.465CS..Hα-helixtrans-62.4-31.1172.9-74.8171.1000112.5A164 R166 E172 H411 R414 L418A164-L168 WeakPolarHBondContact O-CB 3.29Å; A164-L168 WeakPolarHBondContact O-CG 3.46Å; A164-L168 PolarHBondContact O-N 2.8Å; R166-L168 VanDerWaalsContact C-N 3.34Å; R166-L168 PolarHBondContact O-N 2.88Å; L168-E172 WeakPolarHBondContact O-CB 3.35Å; L168-E172 WeakPolarHBondContact O-CG 3.44Å; L168-E172 PolarHBondContact O-N 2.63Å; L168-H411 HydrophobicContact CD1-CB 3.71Å; L168-R414 HydrophobicContact CD1-CB 4.39Å; L168-L418 HydrophobicContact CD2-CD1 4.09Å
169T78.3Confident71.9Confident64 Ų6493.8 Ų93.839%0.39349%0.489SS..Hα-helixtrans-75.2-39.9176.9-54.80000111.9D165 R166 L167 L171 E172 S173 R414D165-T169 WeakPolarHBondContact O-CB 3.33Å; D165-T169 PolarHBondContact O-N 3.19Å; D165-T169 PolarHBondContact O-OG1 3.22Å; R166-T169 WeakPolarHBondContact O-CA 3.44Å; R166-T169 WeakPolarHBondContact O-CB 3.36Å; R166-T169 PolarHBondContact O-N 3.26Å; L167-T169 PolarHBondContact O-N 2.97Å; T169-L171 VanDerWaalsContact C-N 3.31Å; T169-E172 PolarHBondContact O-N 3.4Å; T169-S173 PolarHBondContact O-N 3.16Å; T169-S173 PolarHBondContact O-OG 3.28Å; T169-R414 VanDerWaalsContact CA-NH2 3.34Å; T169-R414 PolarHBondContact OG1-NH1 2.98Å; T169-R414 PolarHBondContact OG1-NH2 3.23Å
170E75.5Confident69.8Low102 Ų10296.4 Ų96.448%0.47751%0.507SS..Hα-helixtrans-63.9-36.7171.9-68176.5-167.600111R166 L167 S173R166-E170 IonicContact CZ-OE1 3.73Å; R166-E170 IonicContact NE-OE1 2.72Å; R166-E170 PolarHBondContact NE-OE1 2.94Å; R166-E170 IonicContact NH2-OE1 3.11Å; R166-E170 PolarHBondContact NH2-OE1 3.47Å; R166-E170 PolarHBondContact O-N 2.9Å; L167-E170 PolarHBondContact O-N 3.02Å; E170-S173 PolarHBondContact O-N 3.43Å
171L66.7Low67.6Low112 Ų11296.5 Ų96.559%0.58652%0.515SS*.Hα-helixtrans-73.3-33.5174.1-71.7171000114.4L167 T169 S173 P174 L418L167-L171 WeakPolarHBondContact O-CB 3.48Å; L167-L171 VanDerWaalsContact O-CG 3.3Å; L167-L171 WeakPolarHBondContact O-CG 3.5Å; L167-L171 PolarHBondContact O-N 3.38Å; T169-L171 VanDerWaalsContact C-N 3.31Å; L171-S173 PolarHBondContact O-N 3.06Å; L171-P174 WeakPolarHBondContact O-CD 3.18Å; L171-L418 HydrophobicContact CB-CD1 4.26Å
172E64.8Low65.7Low84 Ų84104.8 Ų104.839%0.39355%0.55SS..Hα-helixtrans-73-9.3173.7-81.7175.1-173.900113L168 T169 R414 L418L168-E172 WeakPolarHBondContact O-CB 3.35Å; L168-E172 WeakPolarHBondContact O-CG 3.44Å; L168-E172 PolarHBondContact O-N 2.63Å; T169-E172 PolarHBondContact O-N 3.4Å; E172-R414 VanDerWaalsContact CD-NE 3.34Å; E172-R414 VanDerWaalsContact CD-NH2 3.26Å; E172-R414 WeakPolarHBondContact OE1-CB 3.27Å; E172-R414 WeakPolarHBondContact OE1-CG 3.1Å; E172-R414 IonicContact OE1-CZ 3.84Å; E172-R414 IonicContact OE1-NE 3.08Å; E172-R414 PolarHBondContact OE1-NE 3.26Å; E172-R414 IonicContact OE1-NH2 2.76Å; E172-R414 IonicContact OE2-CZ 2.95Å; E172-R414 IonicContact OE2-NE 2.57Å; E172-R414 PolarHBondContact OE2-NE 2.8Å; E172-R414 IonicContact OE2-NH2 3.53Å; E172-R414 PolarHBondContact OE2-NH2 2.99Å; E172-L418 HydrophobicContact CG-CD1 4.17Å; E172-L418 HydrophobicContact CG-CD2 3.89Å; E172-L418 HydrophobicContact CG-CG 4.31Å
173S53.3Low63.6Low75 Ų75105.7 Ų105.752%0.52456%0.558SS.*  trans-134.957.8-175.760.20000117.1T169 E170 L171 A175T169-S173 PolarHBondContact O-N 3.16Å; T169-S173 PolarHBondContact O-OG 3.28Å; E170-S173 PolarHBondContact O-N 3.43Å; L171-S173 PolarHBondContact O-N 3.06Å; S173-A175 PolarHBondContact O-N 3.35Å
174P52.6Low61.1Low50 Ų50113.2 Ų113.233%0.32558%0.578SS.*  trans-71.1102.5161.1-0.418.2000109.1L171 W176 W177L171-P174 WeakPolarHBondContact O-CD 3.18Å; P174-W176 PolarHBondContact O-N 2.85Å; P174-W177 HydrophobicContact CB-CB 4.42Å; P174-W177 HydrophobicContact CB-CE3 4.43Å; P174-W177 PolarHBondContact O-N 2.9Å
175A48.1Very low58.5Low113 Ų113120.9 Ų120.993%0.93461%0.605SS**THydrogen-bonded Turntrans-6411.1179.400000115.3S173S173-A175 PolarHBondContact O-N 3.35Å
176W58.3Low56Low199 Ų199125.1 Ų125.175%0.75463%0.632SS**THydrogen-bonded Turntrans-125.23.4-176.561.6-81.5000113.6P174P174-W176 PolarHBondContact O-N 2.85Å
177W47.1Very low53.6Low146 Ų146122.6 Ų122.655%0.55364%0.638SS**  trans-96.5124.3-178.1-138.7-86.7000112.6P174 F179P174-W177 HydrophobicContact CB-CB 4.42Å; P174-W177 HydrophobicContact CB-CE3 4.43Å; P174-W177 PolarHBondContact O-N 2.9Å; W177-F179 PolarHBondContact O-N 2.71Å
178P48.8Very low51.7Low106 Ų106123 Ų12369%0.68865%0.646SS**THydrogen-bonded Turntrans-88.715-165.134.6-37.3000116.1
179F54Low49.4Very low173 Ų173130.2 Ų130.276%0.75968%0.679SS**THydrogen-bonded Turntrans-120.7-3-169.6-68.2-66000116.5W177 S181W177-F179 PolarHBondContact O-N 2.71Å; F179-S181 VanDerWaalsContact C-N 3.33Å; F179-S181 PolarHBondContact O-N 3.29Å
180S44.9Very low47Very low117 Ų117134.1 Ų134.182%0.81870%0.703SS**  trans-83.164.3-176.754.90000113.8
181S45.3Very low45Very low94 Ų94138.8 Ų138.866%0.65772%0.722SS**  trans-143.8132.5163.180.80000114.6F179F179-S181 VanDerWaalsContact C-N 3.33Å; F179-S181 PolarHBondContact O-N 3.29Å
182K49.8Very low43.6Very low196 Ų196138.6 Ų138.685%0.85273%0.727SS**  trans79.4154.1176.8-52.7171.1-176.5173.20115
183L42.9Very low41.8Very low149 Ų149144.3 Ų144.378%0.7875%0.745SS**  trans77.6105.2-166.5-47.1166.6000112.9
184W35.4Very low40.4Very low240 Ų240146.7 Ų146.791%0.90975%0.748SS**  cis-146.4151.5-5.8-85.5-45.8000110.5
185K31.1Very low39Very low194 Ų194150.6 Ų150.684%0.84377%0.766SS**  trans-105.8112.3168.3-81.4-171.4173.7-173.80110.4
186T33.3Very low38Very low128 Ų128151 Ų15179%0.78576%0.757SS**  trans53.1175.8133.265.40000119.8
187P36.4Very low36.5Very low116 Ų116146.1 Ų146.175%0.75375%0.753SS**  cis-126.9-136-5.730.7-3.7000112
188P40.8Very low35.6Very low103 Ų103147.7 Ų147.767%0.66977%0.768SS**  -131.3-176.9-102.844.3-25.8000116.5
189E30.4Very low34.5Very low174 Ų174148.8 Ų148.881%0.81377%0.774SS**  trans39.9129.4153-71.8-171.8131.800122.9
190T27Very low33.3Very low145 Ų145145.4 Ų145.489%0.8977%0.771SS**  -166.9129.5112.513.80000113.7
191K34.9Very low32.7Very low201 Ų201145.8 Ų145.887%0.87477%0.773SS**  trans-122.9148.9152.2-97.5-171.2178.9-176.50104.7
192P37Very low32Very low107 Ų107148 Ų14870%0.69577%0.773SS**  -158.51658140.7-20.9000118.3
193R27.2Very low31.4Very low205 Ų205144.9 Ų144.977%0.77477%0.772SS**  trans61.2166.7145.2-74.7175.8152.9-128.5-2.7117.3
194E24Very low31.4Very low124 Ų124146.4 Ų146.458%0.57977%0.773SS**  cis-167.4162.1-13.9-108.4164.6167.500107.3
195D23.1Very low31.6Very low132 Ų132138 Ų13871%0.70676%0.761SS**  cis-163.3-178.8-14.3-157.1-1.6000109.7
196V25.3Very low32.6Very low122 Ų122139.1 Ų139.174%0.73977%0.765SS**  trans69.9140.7155167.20000115.7
197S27.8Very low33.8Very low96 Ų96136.3 Ų136.367%0.67174%0.744SS**  cis-144.6136.725.2-158.90000114.2
198M27.6Very low35.6Very low179 Ų179132.6 Ų132.688%0.88273%0.726SS**  trans-84.4125.2151.4-90.3-176.1164.300108.8
199T27.2Very low37.8Very low130 Ų130132.6 Ų132.680%0.79872%0.72SS**  trans-94.290.3158.6500000109.3C201T199-C201 PolarHBondContact O-N 3.21Å
200S28.6Very low40.6Very low102 Ų102128.2 Ų128.271%0.71370%0.701SS**  trans-70.1115.816251.30000109.3
201C30.6Very low43.7Very low125 Ų125122.9 Ų122.985%0.84567%0.667SS**  trans-83.5116.7163.8-70.60000108.6T199T199-C201 PolarHBondContact O-N 3.21Å
202E31.1Very low46.5Very low140 Ų140119 Ų11965%0.65465%0.65SS**  trans-63.5151.6175.6-66.8-171.9137.600111.8F204E202-F204 HydrophobicContact CB-CD2 4.48Å; E202-F204 HydrophobicContact CB-CE2 4.12Å; E202-F204 WeakPolarHBondContact O-CD2 3.35Å; E202-F204 PolarHBondContact O-N 2.83Å
203P36.7Very low49.2Very low130 Ų130114.1 Ų114.184%0.84462%0.618SS**  trans-75.987.5177.531.6-34.5000110.8G205P203-G205 PolarHBondContact O-N 2.82Å
204F42.8Very low52.4Low181 Ų181106.4 Ų106.479%0.79460%0.595SS**  trans-62.9131.7175.7-80.8-84.9000111.6E202E202-F204 HydrophobicContact CB-CD2 4.48Å; E202-F204 HydrophobicContact CB-CE2 4.12Å; E202-F204 WeakPolarHBondContact O-CD2 3.35Å; E202-F204 PolarHBondContact O-N 2.83Å
205G39.6Very low55.8Low63 Ų63100.6 Ų100.665%0.64957%0.568SS**  trans-88.8151.6-154.500000116.2P203 E207P203-G205 PolarHBondContact O-N 2.82Å; G205-E207 PolarHBondContact O-N 2.85Å
206K52.9Low59.2Low218 Ų21894.4 Ų94.495%0.94854%0.535SS*.  trans41.643.8159-64.9-174.7179.5177.40115.7
207E58.9Low62.5Low70 Ų7088.9 Ų88.933%0.32750%0.501SS..  trans-67.5147.9169.2-158.6158.5-149.500110.1G205 I209 L233 S235 R249G205-E207 PolarHBondContact O-N 2.85Å; E207-I209 VanDerWaalsContact C-N 3.34Å; E207-I209 PolarHBondContact O-N 2.95Å; E207-L233 HydrophobicContact CB-CD2 4.22Å; E207-L233 HydrophobicContact CG-CB 4.48Å; E207-L233 HydrophobicContact CG-CD1 4.47Å; E207-L233 HydrophobicContact CG-CD2 4.22Å; E207-L233 WeakPolarHBondContact OE2-CD1 3.48Å; E207-S235 VanDerWaalsContact OE1-CB 3.26Å; E207-S235 WeakPolarHBondContact OE1-CB 3.44Å; E207-S235 PolarHBondContact OE1-OG 3.19Å; E207-R249 IonicContact OE1-CZ 3.42Å; E207-R249 IonicContact OE1-NH1 2.7Å; E207-R249 IonicContact OE1-NH2 2.71Å; E207-R249 PolarHBondContact OE1-NH2 2.87Å; E207-R249 IonicContact OE2-CZ 2.67Å; E207-R249 IonicContact OE2-NH1 3.81Å; E207-R249 PolarHBondContact OE2-NH1 2.88Å; E207-R249 IonicContact OE2-NH2 3.14Å; E207-R249 PolarHBondContact OE2-NH2 3.07Å
208G73.8Confident65.5Low38 Ų3884.8 Ų84.839%0.39247%0.473SS..  trans-69.286.1-175.700000112L210 L233 V234G208-L210 PolarHBondContact O-N 3.44Å; G208-L233 CarbonylContact O-C 3.56Å; G208-L233 WeakPolarHBondContact O-CA 3.43Å; G208-V234 WeakPolarHBondContact O-CG2 3.38Å; G208-V234 PolarHBondContact O-N 3.44Å
209I87.1Confident68.3Low103 Ų10379.6 Ų79.653%0.52845%0.446SS..EExtended strand (participates in β ladder)trans-67.6117173.6-61.1163.7000108.5E207 K212 T231 L233E207-I209 VanDerWaalsContact C-N 3.34Å; E207-I209 PolarHBondContact O-N 2.95Å; I209-K212 HydrophobicContact CG2-CB 4.45Å; I209-T231 HydrophobicContact CG1-CG2 4.23Å; I209-T231 HydrophobicContact CG2-CG2 3.91Å; I209-L233 HydrophobicContact CB-CD2 4.39Å; I209-L233 HydrophobicContact CG1-CD2 3.64Å
210L88.4Confident70.4Confident81 Ų8180.1 Ų80.142%0.42443%0.433SS..EExtended strand (participates in β ladder)trans-83.1-46.6174.4-62.9-177.7000110.9G208 V232 V234 I293 Q297G208-L210 PolarHBondContact O-N 3.44Å; L210-V232 HydrophobicContact CB-CG1 4.35Å; L210-V232 HydrophobicContact CD1-CG1 4.3Å; L210-V232 PolarHBondContact N-O 3.01Å; L210-V234 HydrophobicContact CD2-CG2 3.82Å; L210-V234 HydrophobicContact CG-CG2 4.15Å; L210-I293 HydrophobicContact CB-CG2 4.25Å; L210-I293 HydrophobicContact CD1-CG2 3.69Å; L210-Q297 HydrophobicContact CD1-CG 4.43Å
211I92.4Very high72.2Confident33 Ų3379.2 Ų79.217%0.16942%0.424CS..EExtended strand (participates in β ladder)trans-158.8153.6178.6-170.5165.7000110.9I213 V232 E289 V290 I293I211-I213 HydrophobicContact CD1-CG2 4.15Å; I211-I213 HydrophobicContact CG1-CG2 4.03Å; I211-V232 HydrophobicContact CG2-CB 3.74Å; I211-V232 HydrophobicContact CG2-CG2 3.72Å; I211-V232 PolarHBondContact N-O 3.15Å; I211-V232 PolarHBondContact O-N 3.07Å; I211-E289 HydrophobicContact CD1-CB 3.87Å; I211-V290 HydrophobicContact CD1-CG2 4.02Å; I211-V290 HydrophobicContact CG1-CG2 4.39Å; I211-V290 HydrophobicContact CG2-CG2 3.87Å; I211-I293 HydrophobicContact CB-CD1 4.01Å; I211-I293 HydrophobicContact CD1-CD1 4.32Å; I211-I293 HydrophobicContact CG2-CD1 3.58Å
212K93.8Very high73.8Confident119 Ų11977.8 Ų77.852%0.51740%0.404SS..EExtended strand (participates in β ladder)trans-138.5111.2-176.2179.8-179.4-176.1176.50108.5I209 R229 T231I209-K212 HydrophobicContact CG2-CB 4.45Å; K212-R229 VanDerWaalsContact CE-CZ 3.42Å; K212-R229 HydrophobicContact CG-CG 4.11Å; K212-T231 HydrophobicContact CB-CG2 4.39Å
213I94.7Very high75.4Confident5 Ų573.4 Ų73.43%0.02639%0.389CS..EExtended strand (participates in β ladder)trans-121.6142.4-176.964.4160.5000112I211 R229 L230 K286 M287 V290I211-I213 HydrophobicContact CD1-CG2 4.15Å; I211-I213 HydrophobicContact CG1-CG2 4.03Å; I213-R229 CarbonylContact O-C 3.51Å; I213-R229 WeakPolarHBondContact O-CA 3.42Å; I213-R229 VanDerWaalsContact O-CG 3.26Å; I213-R229 WeakPolarHBondContact O-CG 3.35Å; I213-L230 HydrophobicContact CD1-CD2 4.47Å; I213-L230 HydrophobicContact CG1-CB 4.02Å; I213-L230 HydrophobicContact CG1-CD2 4.48Å; I213-L230 PolarHBondContact N-O 2.99Å; I213-L230 PolarHBondContact O-N 3.33Å; I213-K286 HydrophobicContact CB-CB 3.87Å; I213-K286 HydrophobicContact CD1-CB 4.33Å; I213-K286 HydrophobicContact CG2-CB 3.64Å; I213-M287 HydrophobicContact CD1-CE 4.23Å; I213-M287 HydrophobicContact CD1-SD 4.16Å; I213-V290 HydrophobicContact CB-CG2 4.41Å; I213-V290 HydrophobicContact CD1-CB 4.35Å; I213-V290 HydrophobicContact CD1-CG2 3.54Å; I213-V290 HydrophobicContact CG1-CG2 3.85Å; I213-V290 HydrophobicContact CG2-CG2 3.67Å
214P94.7Very high77.3Confident44 Ų4474.2 Ų74.229%0.28638%0.381SS..EExtended strand (participates in β ladder)trans-67.2145.9166.730-31.5000109H96 E100 G228 S284H96-P214 VanDerWaalsContact CE1-C 3.48Å; H96-P214 PolarHBondContact CE1-O 3.21Å; H96-P214 VanDerWaalsContact CE1-O 3.28Å; E100-P214 HydrophobicContact CG-CG 4.27Å; E100-P214 WeakPolarHBondContact OE1-CG 3.31Å; P214-G228 WeakPolarHBondContact CA-O 3.45Å; P214-S284 VanDerWaalsContact O-CB 3.26Å; P214-S284 WeakPolarHBondContact O-CB 3.43Å; P214-S284 PolarHBondContact O-OG 3.01Å
215A94.9Very high79.3Confident1 Ų166.7 Ų66.71%0.00835%0.351CS..EExtended strand (participates in β ladder)trans-150.1151.1-178.800000111.9G228 L282 I283A215-G228 PolarHBondContact N-O 3.35Å; A215-G228 CarbonylContact O-C 3.5Å; A215-G228 PolarHBondContact O-N 2.89Å; A215-G228 VanDerWaalsContact O-O 3.14Å; A215-L282 HydrophobicContact CB-CD2 4.36Å; A215-I283 WeakPolarHBondContact CA-O 3.35Å
216V94.6Very high81.7Confident3 Ų369.6 Ų69.62%0.01835%0.345CS..EExtended strand (participates in β ladder)trans-90.2119.2166.4-179.80000107.7I93 H96 V225 L282 I283I93-V216 HydrophobicContact CG1-CG1 4.06Å; H96-V216 HydrophobicContact CB-CG2 3.57Å; V216-V225 HydrophobicContact CG1-CB 3.54Å; V216-V225 HydrophobicContact CG1-CG1 3.87Å; V216-V225 HydrophobicContact CG1-CG2 3.88Å; V216-L282 WeakPolarHBondContact O-CA 3.44Å; V216-I283 HydrophobicContact CB-CB 4.39Å; V216-I283 PolarHBondContact N-O 2.92Å; V216-I283 PolarHBondContact O-N 3.01Å
217I94.4Very high83.6Confident5 Ų562.3 Ų62.33%0.02632%0.32CS..EExtended strand (participates in β ladder)trans-108.3128.1-170.6-53.2157.8000109.2V225 K226 I239 H240 M247 Y280 L282I217-V225 CarbonylContact O-C 3.46Å; I217-V225 VanDerWaalsContact O-CA 3.25Å; I217-V225 WeakPolarHBondContact O-CA 3.34Å; I217-K226 PolarHBondContact N-O 3.23Å; I217-K226 PolarHBondContact O-N 3.16Å; I217-I239 HydrophobicContact CD1-CG2 3.58Å; I217-I239 HydrophobicContact CG1-CG2 4.07Å; I217-I239 HydrophobicContact CG2-CG2 3.98Å; I217-H240 WeakPolarHBondContact CD1-O 3.25Å; I217-M247 HydrophobicContact CD1-SD 4.03Å; I217-Y280 HydrophobicContact CG2-CD1 3.67Å; I217-Y280 HydrophobicContact CG2-CE1 4.22Å; I217-L282 HydrophobicContact CB-CD2 4.13Å; I217-L282 HydrophobicContact CG1-CD2 3.63Å; I217-L282 HydrophobicContact CG2-CD2 4.04Å
218S91.6Very high85.3Confident11 Ų1159.6 Ų59.68%0.07731%0.311CS..EExtended strand (participates in β ladder)trans-116.8146.416153.50000111Y280 R281S218-Y280 WeakPolarHBondContact O-CA 3.43Å; S218-R281 PolarHBondContact N-O 2.66Å; S218-R281 PolarHBondContact O-N 2.7Å
219H86.3Confident86.3Confident70 Ų7060.1 Ų60.132%0.32430%0.301SS..EExtended strand (participates in β ladder)trans-121.2121.3179.3172.6-112.1000108.8T221 M278 A279 Y280H219-T221 PolarHBondContact O-N 3.2Å; H219-M278 VanDerWaalsContact NE2-CE 3.35Å; H219-M278 WeakPolarHBondContact NE2-CE 3.39Å; H219-A279 PolarHBondContact CD2-O 3.2Å; H219-Y280 HydrophobicContact CB-CD1 4.13Å; H219-Y280 HydrophobicContact CB-CE1 3.92Å; H219-Y280 AromaticContact CD2-CE1 3.92Å; H219-Y280 AromaticContact CD2-CZ 3.77Å
220R70.4Confident86.7Confident140 Ų14055.3 Ų55.353%0.52828%0.276SS..SBendtrans59.6-37.6-176.1-63-179.9179.9172.53.5117.8P276 D277 A279R220-P276 PolarHBondContact NH2-O 2.83Å; R220-D277 PolarHBondContact NH2-O 2.86Å; R220-A279 PolarHBondContact N-O 3.35Å
221T66.3Low87Confident83 Ų8351.7 Ų51.751%0.50926%0.258SS..  trans-139.6135.8-174.1-45.30000111.5H219 S223H219-T221 PolarHBondContact O-N 3.2Å; T221-S223 WeakPolarHBondContact CG2-OG 3.3Å; T221-S223 PolarHBondContact O-N 3.45Å; T221-S223 VanDerWaalsContact O-N 3.11Å
222E64.9Low87.1Confident95 Ų9550.1 Ų50.144%0.44425%0.25SC..THydrogen-bonded Turntrans-65-11.2179.9-62.9176.6-170.100114.5V89 H224 R281V89-E222 WeakPolarHBondContact CG2-O 3.4Å; E222-H224 VanDerWaalsContact C-N 3.27Å; E222-H224 PolarHBondContact O-N 2.93Å; E222-R281 IonicContact OE1-CZ 2.96Å; E222-R281 IonicContact OE1-NH1 3.38Å; E222-R281 PolarHBondContact OE1-NH1 2.82Å
223S63.6Low87.1Confident48 Ų4844.6 Ų44.634%0.33623%0.226SC..THydrogen-bonded Turntrans-67.4-24.9-17855.80000113.8T221T221-S223 WeakPolarHBondContact CG2-OG 3.3Å; T221-S223 PolarHBondContact O-N 3.45Å; T221-S223 VanDerWaalsContact O-N 3.11Å
224H76.6Confident86.7Confident147 Ų14748.5 Ų48.568%0.68125%0.25SC*.  trans-127.5102.6-179.3-59.6-69.5000110.7E222E222-H224 VanDerWaalsContact C-N 3.27Å; E222-H224 PolarHBondContact O-N 2.93Å
225V86.4Confident86.4Confident24 Ų2448.1 Ų48.115%0.14525%0.248CC..EExtended strand (participates in β ladder)trans-98.2148.3165.8-60.50000110.9V89 V216 I217V89-V225 HydrophobicContact CB-CG2 4.19Å; V89-V225 HydrophobicContact CG1-CG1 4.04Å; V89-V225 HydrophobicContact CG1-CG2 4.34Å; V89-V225 HydrophobicContact CG2-CG1 4.17Å; V89-V225 HydrophobicContact CG2-CG2 3.95Å; V216-V225 HydrophobicContact CG1-CB 3.54Å; V216-V225 HydrophobicContact CG1-CG1 3.87Å; V216-V225 HydrophobicContact CG1-CG2 3.88Å; I217-V225 CarbonylContact O-C 3.46Å; I217-V225 VanDerWaalsContact O-CA 3.25Å; I217-V225 WeakPolarHBondContact O-CA 3.34Å
226K89.8Confident86.2Confident124 Ų12448 Ų4854%0.53925%0.248SC..EExtended strand (participates in β ladder)trans-127140.1169.2-65.8-175.3177.2-174.80109.6I217I217-K226 PolarHBondContact N-O 3.23Å; I217-K226 PolarHBondContact O-N 3.16Å
227P92.2Very high86.2Confident65 Ų6547.9 Ų47.942%0.42225%0.247SC..EExtended strand (participates in β ladder)trans-66.7145.3165.829.4-32.5000109.8S242P227-S242 WeakPolarHBondContact O-CB 3.41Å; P227-S242 PolarHBondContact O-N 3.33Å; P227-S242 VanDerWaalsContact O-N 3.13Å
228G93.6Very high86.3Confident13 Ų1349.2 Ų49.213%0.13425%0.253CS..EExtended strand (participates in β ladder)trans-176.7-145.9178.300000110.9P214 A215 H240P214-G228 WeakPolarHBondContact CA-O 3.45Å; A215-G228 PolarHBondContact N-O 3.35Å; A215-G228 CarbonylContact O-C 3.5Å; A215-G228 PolarHBondContact O-N 2.89Å; A215-G228 VanDerWaalsContact O-O 3.14Å; G228-H240 CarbonylContact C-O 3.5Å; G228-H240 VanDerWaalsContact CA-O 3.27Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å
229R95.1Very high86.4Confident49 Ų4948.7 Ų48.719%0.18525%0.249CC..EExtended strand (participates in β ladder)trans-152.6132.1-166.6-170.5178.171.8-146.3-2112.5K212 I213 H240 S244K212-R229 VanDerWaalsContact CE-CZ 3.42Å; K212-R229 HydrophobicContact CG-CG 4.11Å; I213-R229 CarbonylContact O-C 3.51Å; I213-R229 WeakPolarHBondContact O-CA 3.42Å; I213-R229 VanDerWaalsContact O-CG 3.26Å; I213-R229 WeakPolarHBondContact O-CG 3.35Å; R229-H240 HydrophobicContact CB-CB 4.34Å; R229-H240 PolarHBondContact N-O 2.89Å; R229-H240 PolarHBondContact NH2-CD2 3.26Å; R229-H240 VanDerWaalsContact NH2-CD2 3.28Å; R229-H240 PolarHBondContact NH2-NE2 3.28Å; R229-H240 PolarHBondContact O-N 2.96Å; R229-S244 PolarHBondContact NH1-OG 3.38Å
230L96.1Very high86.8Confident1 Ų146.3 Ų46.31%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-94.1130.7166.4176.666.8000109I213 V232 L237 I239 I266 I268 L282 V290I213-L230 HydrophobicContact CD1-CD2 4.47Å; I213-L230 HydrophobicContact CG1-CB 4.02Å; I213-L230 HydrophobicContact CG1-CD2 4.48Å; I213-L230 PolarHBondContact N-O 2.99Å; I213-L230 PolarHBondContact O-N 3.33Å; L230-V232 HydrophobicContact CD2-CG2 4.36Å; L230-V232 HydrophobicContact CG-CG2 4.36Å; L230-L237 HydrophobicContact CD1-CB 4.5Å; L230-I239 HydrophobicContact CD1-CG1 4.27Å; L230-I266 HydrophobicContact CD2-CD1 4.43Å; L230-I268 HydrophobicContact CD1-CD1 4.44Å; L230-L282 HydrophobicContact CD1-CD1 3.97Å; L230-L282 HydrophobicContact CD2-CD1 4.11Å; L230-L282 HydrophobicContact CG-CD1 4.42Å; L230-V290 HydrophobicContact CD2-CG1 4.07Å
231T95.5Very high87.8Confident5 Ų541.3 Ų41.33%0.03122%0.222CC..EExtended strand (participates in β ladder)trans-118.5126.6170.3-46.70000108.1I209 K212 L233 E238I209-T231 HydrophobicContact CG1-CG2 4.23Å; I209-T231 HydrophobicContact CG2-CG2 3.91Å; K212-T231 HydrophobicContact CB-CG2 4.39Å; T231-L233 HydrophobicContact CG2-CD2 4.21Å; T231-E238 PolarHBondContact N-O 3.06Å; T231-E238 PolarHBondContact O-N 2.97Å
232V93.9Very high88.8Confident1 Ų141.6 Ų41.61%0.00623%0.227CC..EExtended strand (participates in β ladder)trans-101.6124.4176.9-176.20000107.8L210 I211 L230 L237 V290 I293 L294L210-V232 HydrophobicContact CB-CG1 4.35Å; L210-V232 HydrophobicContact CD1-CG1 4.3Å; L210-V232 PolarHBondContact N-O 3.01Å; I211-V232 HydrophobicContact CG2-CB 3.74Å; I211-V232 HydrophobicContact CG2-CG2 3.72Å; I211-V232 PolarHBondContact N-O 3.15Å; I211-V232 PolarHBondContact O-N 3.07Å; L230-V232 HydrophobicContact CD2-CG2 4.36Å; L230-V232 HydrophobicContact CG-CG2 4.36Å; V232-L237 HydrophobicContact CB-CD2 4.15Å; V232-L237 HydrophobicContact CG1-CD2 3.82Å; V232-L237 HydrophobicContact CG2-CD2 3.94Å; V232-V290 HydrophobicContact CG2-CG1 3.88Å; V232-I293 HydrophobicContact CG1-CG2 3.92Å; V232-L294 HydrophobicContact CG1-CD2 4.38Å; V232-L294 HydrophobicContact CG2-CD2 4.36Å
233L92.8Very high89.9Confident3 Ų341.1 Ų41.12%0.01623%0.234CC..EExtended strand (participates in β ladder)trans-113.8160.7-177.3-57.8164.5000109.2E207 G208 I209 T231 S235 G236 E238 Q297E207-L233 HydrophobicContact CB-CD2 4.22Å; E207-L233 HydrophobicContact CG-CB 4.48Å; E207-L233 HydrophobicContact CG-CD1 4.47Å; E207-L233 HydrophobicContact CG-CD2 4.22Å; E207-L233 WeakPolarHBondContact OE2-CD1 3.48Å; G208-L233 CarbonylContact O-C 3.56Å; G208-L233 WeakPolarHBondContact O-CA 3.43Å; I209-L233 HydrophobicContact CB-CD2 4.39Å; I209-L233 HydrophobicContact CG1-CD2 3.64Å; T231-L233 HydrophobicContact CG2-CD2 4.21Å; L233-S235 PolarHBondContact O-N 2.88Å; L233-G236 WeakPolarHBondContact CB-O 3.24Å; L233-G236 PolarHBondContact N-O 3.05Å; L233-G236 PolarHBondContact O-N 3.27Å; L233-G236 VanDerWaalsContact O-O 3.14Å; L233-E238 HydrophobicContact CD1-CG 3.72Å; L233-Q297 PolarHBondContact O-NE2 2.92Å
234V87.3Confident91Very high86 Ų8641.8 Ų41.852%0.52124%0.239SC..THydrogen-bonded Turntrans-57.8-32.7169.6171.10000112G208 L210 Q297G208-V234 WeakPolarHBondContact O-CG2 3.38Å; G208-V234 PolarHBondContact O-N 3.44Å; L210-V234 HydrophobicContact CD2-CG2 3.82Å; L210-V234 HydrophobicContact CG-CG2 4.15Å; V234-Q297 PolarHBondContact O-NE2 2.96Å
235S87.5Confident91.6Very high36 Ų3640.3 Ų40.325%0.25224%0.236SC..THydrogen-bonded Turntrans-92.8-12.2-175.3510000115.5E207 L233 R252E207-S235 VanDerWaalsContact OE1-CB 3.26Å; E207-S235 WeakPolarHBondContact OE1-CB 3.44Å; E207-S235 PolarHBondContact OE1-OG 3.19Å; L233-S235 PolarHBondContact O-N 2.88Å; S235-R252 VanDerWaalsContact O-CB 3.31Å; S235-R252 WeakPolarHBondContact O-CB 3.43Å; S235-R252 PolarHBondContact O-N 3.06Å
236G91.3Very high91.9Very high0 Ų043 Ų430%025%0.249CC..EExtended strand (participates in β ladder)trans164-160.4-16800000114.7L233 F250L233-G236 WeakPolarHBondContact CB-O 3.24Å; L233-G236 PolarHBondContact N-O 3.05Å; L233-G236 PolarHBondContact O-N 3.27Å; L233-G236 VanDerWaalsContact O-O 3.14Å; G236-F250 CarbonylContact C-O 3.59Å; G236-F250 WeakPolarHBondContact CA-O 3.43Å
237L94.9Very high92Very high0 Ų040 Ų400%024%0.237CC..EExtended strand (participates in β ladder)trans-132.7135.1-176.7-55.6174000110.2L230 V232 R249 F250 V255 I258 I268 L294 F298L230-L237 HydrophobicContact CD1-CB 4.5Å; V232-L237 HydrophobicContact CB-CD2 4.15Å; V232-L237 HydrophobicContact CG1-CD2 3.82Å; V232-L237 HydrophobicContact CG2-CD2 3.94Å; L237-R249 WeakPolarHBondContact O-CA 3.44Å; L237-F250 HydrophobicContact CB-CB 4.32Å; L237-F250 HydrophobicContact CB-CD2 4.24Å; L237-F250 PolarHBondContact N-O 3.43Å; L237-F250 PolarHBondContact O-N 2.88Å; L237-V255 HydrophobicContact CD1-CG2 4.42Å; L237-I258 HydrophobicContact CD1-CD1 4.03Å; L237-I268 HydrophobicContact CD1-CD1 3.77Å; L237-I268 HydrophobicContact CD1-CG1 4.4Å; L237-I268 HydrophobicContact CD1-CG2 4.36Å; L237-L294 HydrophobicContact CD1-CD2 4.16Å; L237-L294 HydrophobicContact CD2-CD2 3.6Å; L237-F298 HydrophobicContact CD1-CE2 4.06Å; L237-F298 HydrophobicContact CD1-CZ 4.07Å; L237-F298 HydrophobicContact CD2-CE2 4Å; L237-F298 HydrophobicContact CD2-CZ 4.4Å; L237-F298 HydrophobicContact CG-CE2 4.02Å; L237-F298 HydrophobicContact CG-CZ 3.95Å
238E95.5Very high92Very high32 Ų3238.6 Ų38.615%0.1523%0.225CC..EExtended strand (participates in β ladder)trans-122.6129.3177.5-71.3-177.7156.200112.1T231 L233 H240 L246 R249T231-E238 PolarHBondContact N-O 3.06Å; T231-E238 PolarHBondContact O-N 2.97Å; L233-E238 HydrophobicContact CD1-CG 3.72Å; E238-H240 IonicContact OE2-CE1 2.89Å; E238-H240 PolarHBondContact OE2-CE1 2.86Å; E238-H240 IonicContact OE2-NE2 3.33Å; E238-L246 HydrophobicContact CB-CD1 3.88Å; E238-L246 HydrophobicContact CG-CD1 3.96Å; E238-R249 HydrophobicContact CG-CB 4.16Å; E238-R249 HydrophobicContact CG-CG 3.93Å; E238-R249 IonicContact OE1-CZ 3.7Å; E238-R249 IonicContact OE1-NH1 3.73Å; E238-R249 PolarHBondContact OE1-NH1 2.85Å
239I95.1Very high92Very high0 Ų041.3 Ų41.30%023%0.231CC..EExtended strand (participates in β ladder)trans-106119.9175.2-60.8179000107.8I217 L230 M247 H248 F250 Y280 L282I217-I239 HydrophobicContact CD1-CG2 3.58Å; I217-I239 HydrophobicContact CG1-CG2 4.07Å; I217-I239 HydrophobicContact CG2-CG2 3.98Å; L230-I239 HydrophobicContact CD1-CG1 4.27Å; I239-M247 HydrophobicContact CG2-CB 4.32Å; I239-M247 HydrophobicContact CG2-SD 4.31Å; I239-M247 WeakPolarHBondContact O-CA 3.34Å; I239-M247 WeakPolarHBondContact O-CB 3.3Å; I239-M247 PolarHBondContact O-N 2.95Å; I239-H248 PolarHBondContact N-O 2.84Å; I239-H248 PolarHBondContact O-N 2.84Å; I239-F250 HydrophobicContact CD1-CE2 3.84Å; I239-Y280 VanDerWaalsContact CD1-CB 3.48Å; I239-Y280 HydrophobicContact CD1-CD1 3.86Å; I239-Y280 HydrophobicContact CD1-CD2 3.88Å; I239-Y280 HydrophobicContact CD1-CG 3.46Å; I239-Y280 VanDerWaalsContact CD1-CG 3.46Å; I239-Y280 HydrophobicContact CG2-CD1 4.43Å; I239-L282 HydrophobicContact CD1-CD1 4.12Å; I239-L282 HydrophobicContact CD1-CD2 4.24Å; I239-L282 HydrophobicContact CG1-CD1 4.49Å
240H94Very high91.9Very high21 Ų2139 Ų3910%0.09722%0.222CC..EExtended strand (participates in β ladder)trans-113.8152.3176.1-59.571.7000110.6I217 G228 R229 E238 S244 L245I217-H240 WeakPolarHBondContact CD1-O 3.25Å; G228-H240 CarbonylContact C-O 3.5Å; G228-H240 VanDerWaalsContact CA-O 3.27Å; G228-H240 WeakPolarHBondContact CA-O 3.5Å; R229-H240 HydrophobicContact CB-CB 4.34Å; R229-H240 PolarHBondContact N-O 2.89Å; R229-H240 PolarHBondContact NH2-CD2 3.26Å; R229-H240 VanDerWaalsContact NH2-CD2 3.28Å; R229-H240 PolarHBondContact NH2-NE2 3.28Å; R229-H240 PolarHBondContact O-N 2.96Å; E238-H240 IonicContact OE2-CE1 2.89Å; E238-H240 PolarHBondContact OE2-CE1 2.86Å; E238-H240 IonicContact OE2-NE2 3.33Å; H240-S244 PolarHBondContact CD2-O 2.93Å; H240-L245 CarbonylContact C-O 3.59Å; H240-L245 WeakPolarHBondContact CA-O 3.37Å
241D91.4Very high91.7Very high34 Ų3443.6 Ų43.618%0.18224%0.244CC..EExtended strand (participates in β ladder)trans-81.8-175.8172.1785.9000112.7S243 S244 L245 M247D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CA 3.3Å; D241-S243 WeakPolarHBondContact OD1-CA 3.43Å; D241-S243 WeakPolarHBondContact OD1-CB 3.22Å; D241-S243 PolarHBondContact OD1-N 3.39Å; D241-S243 PolarHBondContact OD1-OG 3.13Å; D241-S243 PolarHBondContact OD2-OG 2.8Å; D241-S244 PolarHBondContact O-N 3.29Å; D241-S244 PolarHBondContact OD1-N 3.4Å; D241-L245 PolarHBondContact N-O 3.2Å; D241-L245 PolarHBondContact OD1-N 3.18Å; D241-M247 HydrophobicContact CB-CG 3.87Å; D241-M247 HydrophobicContact CB-SD 3.78Å
242S87.9Confident91.4Very high90 Ų9048.4 Ų48.463%0.62926%0.262SS*.THydrogen-bonded Turntrans-63.5-22.1177.552.30000114.8P227 S244P227-S242 WeakPolarHBondContact O-CB 3.41Å; P227-S242 PolarHBondContact O-N 3.33Å; P227-S242 VanDerWaalsContact O-N 3.13Å; S242-S244 VanDerWaalsContact C-N 3.27Å
243S87.1Confident91.1Very high84 Ų8454.7 Ų54.759%0.58729%0.291SS*.THydrogen-bonded Turntrans-85.71.3174.172.60000112.9D241 L245D241-S243 PolarHBondContact O-N 2.86Å; D241-S243 VanDerWaalsContact OD1-CA 3.3Å; D241-S243 WeakPolarHBondContact OD1-CA 3.43Å; D241-S243 WeakPolarHBondContact OD1-CB 3.22Å; D241-S243 PolarHBondContact OD1-N 3.39Å; D241-S243 PolarHBondContact OD1-OG 3.13Å; D241-S243 PolarHBondContact OD2-OG 2.8Å; S243-L245 PolarHBondContact O-N 3.44Å; S243-L245 WeakPolarHBondContact OG-CB 3.35Å
244S86.1Confident91Very high63 Ų6357.8 Ų57.844%0.44131%0.307SS..  trans62.822.5-168.1-57.60000114.3R229 H240 D241 S242R229-S244 PolarHBondContact NH1-OG 3.38Å; H240-S244 PolarHBondContact CD2-O 2.93Å; D241-S244 PolarHBondContact O-N 3.29Å; D241-S244 PolarHBondContact OD1-N 3.4Å; S242-S244 VanDerWaalsContact C-N 3.27Å
245L90.8Very high91.2Very high116 Ų11653.7 Ų53.761%0.60728%0.283SS*.  trans-76.5135.2167.5-176.166.6000109.4H240 D241 S243 M247H240-L245 CarbonylContact C-O 3.59Å; H240-L245 WeakPolarHBondContact CA-O 3.37Å; D241-L245 PolarHBondContact N-O 3.2Å; D241-L245 PolarHBondContact OD1-N 3.18Å; S243-L245 PolarHBondContact O-N 3.44Å; S243-L245 WeakPolarHBondContact OG-CB 3.35Å; L245-M247 PolarHBondContact O-N 3.41Å
246L91.7Very high91.5Very high80 Ų8055.3 Ų55.342%0.41929%0.288SS..EExtended strand (participates in β ladder)trans-67.2117.6176.3-177.666.9000109.9E238 R249E238-L246 HydrophobicContact CB-CD1 3.88Å; E238-L246 HydrophobicContact CG-CD1 3.96Å; L246-R249 HydrophobicContact CD1-CB 4.41Å; L246-R249 HydrophobicContact CD2-CB 4.26Å
247M91.6Very high91.5Very high61 Ų6155.6 Ų55.630%0.329%0.29SS..EExtended strand (participates in β ladder)trans-86.4-43.1176-63.9-175.26700112.1I217 I239 D241 L245 Y280I217-M247 HydrophobicContact CD1-SD 4.03Å; I239-M247 HydrophobicContact CG2-CB 4.32Å; I239-M247 HydrophobicContact CG2-SD 4.31Å; I239-M247 WeakPolarHBondContact O-CA 3.34Å; I239-M247 WeakPolarHBondContact O-CB 3.3Å; I239-M247 PolarHBondContact O-N 2.95Å; D241-M247 HydrophobicContact CB-CG 3.87Å; D241-M247 HydrophobicContact CB-SD 3.78Å; L245-M247 PolarHBondContact O-N 3.41Å; M247-Y280 HydrophobicContact CE-CE1 4.25Å
248H92.8Very high91.5Very high35 Ų3555.6 Ų55.616%0.16229%0.29CS..EExtended strand (participates in β ladder)trans-159.2145.1177.3-166.675.3000110.1I239 F250 Q270 Y280I239-H248 PolarHBondContact N-O 2.84Å; I239-H248 PolarHBondContact O-N 2.84Å; H248-F250 AromaticContact CD2-CD1 3.69Å; H248-F250 AromaticContact CD2-CD2 3.71Å; H248-F250 AromaticContact CD2-CE1 3.62Å; H248-F250 AromaticContact CD2-CE2 3.64Å; H248-F250 AromaticContact CD2-CG 3.76Å; H248-F250 AromaticContact CD2-CZ 3.62Å; H248-F250 AromaticContact NE2-CD1 3.58Å; H248-F250 AromaticContact NE2-CE1 3.62Å; H248-Q270 PolarHBondContact NE2-OE1 2.99Å; H248-Y280 HydrophobicContact CB-CD2 4.44Å; H248-Y280 HydrophobicContact CB-CE2 3.52Å; H248-Y280 AromaticContact CG-CE2 3.8Å
249R93.8Very high91.4Very high70 Ų7057 Ų5726%0.26430%0.296SS..EExtended strand (participates in β ladder)trans-119.2127.7170.6175.3176.9171.6106-2.6108.1E207 L237 E238 L246E207-R249 IonicContact OE1-CZ 3.42Å; E207-R249 IonicContact OE1-NH1 2.7Å; E207-R249 IonicContact OE1-NH2 2.71Å; E207-R249 PolarHBondContact OE1-NH2 2.87Å; E207-R249 IonicContact OE2-CZ 2.67Å; E207-R249 IonicContact OE2-NH1 3.81Å; E207-R249 PolarHBondContact OE2-NH1 2.88Å; E207-R249 IonicContact OE2-NH2 3.14Å; E207-R249 PolarHBondContact OE2-NH2 3.07Å; L237-R249 WeakPolarHBondContact O-CA 3.44Å; E238-R249 HydrophobicContact CG-CB 4.16Å; E238-R249 HydrophobicContact CG-CG 3.93Å; E238-R249 IonicContact OE1-CZ 3.7Å; E238-R249 IonicContact OE1-NH1 3.73Å; E238-R249 PolarHBondContact OE1-NH1 2.85Å; L246-R249 HydrophobicContact CD1-CB 4.41Å; L246-R249 HydrophobicContact CD2-CB 4.26Å
250F92.9Very high91.3Very high0 Ų057.1 Ų57.10%030%0.297CS..EExtended strand (participates in β ladder)trans-100.6120.2168-60-84.8000108.3G236 L237 I239 H248 V255 I268 Q270 Y280G236-F250 CarbonylContact C-O 3.59Å; G236-F250 WeakPolarHBondContact CA-O 3.43Å; L237-F250 HydrophobicContact CB-CB 4.32Å; L237-F250 HydrophobicContact CB-CD2 4.24Å; L237-F250 PolarHBondContact N-O 3.43Å; L237-F250 PolarHBondContact O-N 2.88Å; I239-F250 HydrophobicContact CD1-CE2 3.84Å; H248-F250 AromaticContact CD2-CD1 3.69Å; H248-F250 AromaticContact CD2-CD2 3.71Å; H248-F250 AromaticContact CD2-CE1 3.62Å; H248-F250 AromaticContact CD2-CE2 3.64Å; H248-F250 AromaticContact CD2-CG 3.76Å; H248-F250 AromaticContact CD2-CZ 3.62Å; H248-F250 AromaticContact NE2-CD1 3.58Å; H248-F250 AromaticContact NE2-CE1 3.62Å; F250-V255 HydrophobicContact CB-CG2 3.63Å; F250-V255 HydrophobicContact CD1-CG2 4.26Å; F250-V255 HydrophobicContact CG-CG2 4.11Å; F250-I268 HydrophobicContact CD1-CG2 4.18Å; F250-I268 HydrophobicContact CD2-CG2 3.9Å; F250-I268 HydrophobicContact CE1-CG2 3.88Å; F250-I268 HydrophobicContact CE2-CB 4.04Å; F250-I268 HydrophobicContact CE2-CD1 4.42Å; F250-I268 HydrophobicContact CE2-CG2 3.58Å; F250-I268 HydrophobicContact CG-CG2 4.16Å; F250-I268 HydrophobicContact CZ-CB 4.03Å; F250-I268 HydrophobicContact CZ-CG2 3.55Å; F250-Q270 HydrophobicContact CD1-CB 3.84Å; F250-Q270 HydrophobicContact CE1-CB 3.65Å; F250-Y280 HydrophobicContact CE2-CD2 4.18Å; F250-Y280 AromaticContact CZ-CD2 3.84Å; F250-Y280 HydrophobicContact CZ-CD2 3.84Å
251E92.1Very high91.1Very high99 Ų9958.5 Ų58.546%0.46330%0.303SS..EExtended strand (participates in β ladder)trans-68.4155.5161.8-57.7-165.9165.400109.4E253 D254 V255E251-E253 PolarHBondContact O-N 2.92Å; E251-D254 HydrophobicContact CB-CB 4.14Å; E251-D254 WeakPolarHBondContact O-CB 3.48Å; E251-D254 PolarHBondContact O-N 2.9Å; E251-D254 VanDerWaalsContact O-N 3.14Å; E251-V255 PolarHBondContact O-N 2.59Å
252R88.9Confident91Very high105 Ų10557.8 Ų57.840%0.39630%0.301SS..THydrogen-bonded Turntrans-61.6-33.6-175.7-177.2-179.5-174-1651.2112.1S235 Q297 F298 K301S235-R252 VanDerWaalsContact O-CB 3.31Å; S235-R252 WeakPolarHBondContact O-CB 3.43Å; S235-R252 PolarHBondContact O-N 3.06Å; R252-Q297 PolarHBondContact NE-O 2.82Å; R252-Q297 PolarHBondContact NH2-O 2.9Å; R252-F298 HydrophobicContact CB-CE1 4.3Å; R252-F298 HydrophobicContact CB-CZ 4.4Å; R252-F298 HydrophobicContact CG-CD1 4.49Å; R252-F298 HydrophobicContact CG-CE1 3.79Å; R252-F298 HydrophobicContact CG-CZ 4.05Å; R252-K301 PolarHBondContact O-NZ 3.22Å
253E87.6Confident91.1Very high134 Ų13455.4 Ų55.463%0.62628%0.283SS*.THydrogen-bonded Turntrans-69.7-40.4178.5-67.759.6-13300110.5E251 K301E251-E253 PolarHBondContact O-N 2.92Å; E253-K301 PolarHBondContact O-NZ 3.28Å
254D89.9Confident91.3Very high67 Ų6753.1 Ų53.136%0.35826%0.262SS..THydrogen-bonded Turntrans-72.2-23.8-174.8-91.74.7000115.7E251 D256 Q270E251-D254 HydrophobicContact CB-CB 4.14Å; E251-D254 WeakPolarHBondContact O-CB 3.48Å; E251-D254 PolarHBondContact O-N 2.9Å; E251-D254 VanDerWaalsContact O-N 3.14Å; D254-D256 PolarHBondContact O-N 3.09Å; D254-Q270 HydrophobicContact CB-CG 4.49Å; D254-Q270 WeakPolarHBondContact O-CB 3.43Å; D254-Q270 VanDerWaalsContact O-CG 3.29Å; D254-Q270 WeakPolarHBondContact O-CG 3.25Å; D254-Q270 PolarHBondContact OD2-NE2 3.24Å
255V92.7Very high91.7Very high1 Ų151 Ų511%0.00625%0.245CC..  trans-66.8120.6175.9177.90000109.7L237 F250 E251 I258 I268 F298 K301L237-V255 HydrophobicContact CD1-CG2 4.42Å; F250-V255 HydrophobicContact CB-CG2 3.63Å; F250-V255 HydrophobicContact CD1-CG2 4.26Å; F250-V255 HydrophobicContact CG-CG2 4.11Å; E251-V255 PolarHBondContact O-N 2.59Å; V255-I258 HydrophobicContact CG1-CD1 4.15Å; V255-I258 HydrophobicContact CG1-CG1 3.64Å; V255-I268 HydrophobicContact CG1-CG2 4.11Å; V255-I268 HydrophobicContact CG2-CG2 4.3Å; V255-F298 HydrophobicContact CB-CD1 4.24Å; V255-F298 HydrophobicContact CB-CE1 3.97Å; V255-F298 HydrophobicContact CG1-CD1 4.32Å; V255-F298 HydrophobicContact CG1-CE1 4.44Å; V255-F298 HydrophobicContact CG2-CD1 4.4Å; V255-F298 HydrophobicContact CG2-CE1 3.72Å; V255-F298 HydrophobicContact CG2-CZ 4.34Å; V255-K301 HydrophobicContact CB-CD 4.46Å; V255-K301 WeakPolarHBondContact O-CD 3.43Å; V255-K301 WeakPolarHBondContact O-CE 3.38Å; V255-K301 PolarHBondContact O-NZ 3.37Å
256D92.4Very high91.8Very high69 Ų6945.5 Ų45.537%0.36922%0.216SC..  trans-79.9-54.3172.2-78.9-92.1000111.3D254 R269 Q270 R271D254-D256 PolarHBondContact O-N 3.09Å; D256-R269 PolarHBondContact N-O 2.57Å; D256-Q270 WeakPolarHBondContact OD2-CA 3.44Å; D256-R271 HydrophobicContact CB-CG 4.06Å; D256-R271 WeakPolarHBondContact OD2-CB 3.32Å; D256-R271 WeakPolarHBondContact OD2-CG 3.43Å; D256-R271 PolarHBondContact OD2-N 2.77Å
257D92.9Very high92Very high7 Ų742.8 Ų42.84%0.03720%0.204CC..EExtended strand (participates in β ladder)trans-144.9141.3-177.154.4-89.8000113.4K259 R269 R271 K301D257-K259 VanDerWaalsContact OD2-CE 3.22Å; D257-K259 WeakPolarHBondContact OD2-CE 3.42Å; D257-K259 IonicContact OD2-NZ 2.87Å; D257-R269 PolarHBondContact N-O 3.08Å; D257-R269 PolarHBondContact O-N 3.15Å; D257-R269 IonicContact OD1-CZ 3.76Å; D257-R269 VanDerWaalsContact OD1-CZ 3.25Å; D257-R269 IonicContact OD1-NE 2.7Å; D257-R269 PolarHBondContact OD1-NE 3.39Å; D257-R269 IonicContact OD1-NH2 2.66Å; D257-R269 PolarHBondContact OD1-NH2 3.03Å; D257-R269 IonicContact OD2-CZ 3.97Å; D257-R269 IonicContact OD2-NE 3.63Å; D257-R269 PolarHBondContact OD2-NE 3.25Å; D257-R269 VanDerWaalsContact OD2-NE 3.1Å; D257-R269 IonicContact OD2-NH2 3.53Å; D257-R269 PolarHBondContact OD2-NH2 3.19Å; D257-R271 IonicContact OD1-CZ 2.09Å; D257-R271 IonicContact OD1-NE 3.24Å; D257-R271 PolarHBondContact OD1-NE 3.22Å; D257-R271 IonicContact OD1-NH2 2.74Å; D257-R271 PolarHBondContact OD1-NH2 2.97Å; D257-K301 CarbonylContact C-O 3.37Å; D257-K301 VanDerWaalsContact CA-O 3.32Å; D257-K301 WeakPolarHBondContact CA-O 3.41Å
258I95.1Very high92.2Very high0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-115.3112.7169.1-54.6-176000107.9L237 V255 S267 I268 L294 F298 K301 M302 E303L237-I258 HydrophobicContact CD1-CD1 4.03Å; V255-I258 HydrophobicContact CG1-CD1 4.15Å; V255-I258 HydrophobicContact CG1-CG1 3.64Å; I258-S267 CarbonylContact C-O 3.53Å; I258-S267 VanDerWaalsContact CA-O 3.29Å; I258-S267 WeakPolarHBondContact CA-O 3.5Å; I258-I268 HydrophobicContact CG1-CG1 4.41Å; I258-I268 HydrophobicContact CG1-CG2 4.41Å; I258-I268 HydrophobicContact CG2-CG1 4.41Å; I258-L294 HydrophobicContact CD1-CD2 4.43Å; I258-F298 HydrophobicContact CD1-CB 3.82Å; I258-F298 HydrophobicContact CD1-CD1 4.11Å; I258-F298 HydrophobicContact CD1-CD2 3.89Å; I258-F298 HydrophobicContact CD1-CG 3.68Å; I258-K301 PolarHBondContact N-O 3Å; I258-M302 CarbonylContact O-C 3.53Å; I258-M302 VanDerWaalsContact O-CA 3.3Å; I258-M302 WeakPolarHBondContact O-CA 3.49Å; I258-E303 PolarHBondContact O-N 3.43Å
259K93.4Very high92.2Very high60 Ų6041.4 Ų41.426%0.26119%0.194SC..EExtended strand (participates in β ladder)trans-98.5127.8176.4-60.1-178.9-172.3-74.50109.8D257 I266 S267 E303D257-K259 VanDerWaalsContact OD2-CE 3.22Å; D257-K259 WeakPolarHBondContact OD2-CE 3.42Å; D257-K259 IonicContact OD2-NZ 2.87Å; K259-I266 CarbonylContact O-C 3.59Å; K259-I266 VanDerWaalsContact O-CA 3.24Å; K259-I266 WeakPolarHBondContact O-CA 2.96Å; K259-S267 PolarHBondContact N-O 3.31Å; K259-S267 PolarHBondContact O-N 3.21Å; K259-E303 WeakPolarHBondContact CA-O 3.39Å; K259-E303 HydrophobicContact CG-CB 4.33Å; K259-E303 IonicContact NZ-OE1 3.54Å; K259-E303 PolarHBondContact NZ-OE1 3.46Å; K259-E303 VanDerWaalsContact NZ-OE1 3.08Å; K259-E303 IonicContact NZ-OE2 2.72Å; K259-E303 PolarHBondContact NZ-OE2 3.11Å
260V93.1Very high92.1Very high4 Ų438.6 Ų38.62%0.02418%0.184CC..EExtended strand (participates in β ladder)trans-100.1113.5172.6179.80000108.6S262 I266 I291 M302 E303 L304 L305V260-S262 WeakPolarHBondContact CG1-O 3.41Å; V260-I266 HydrophobicContact CB-CG2 4.43Å; V260-I266 HydrophobicContact CG1-CG2 4.39Å; V260-I266 HydrophobicContact CG2-CG2 3.9Å; V260-I291 HydrophobicContact CG1-CD1 4.07Å; V260-M302 HydrophobicContact CG2-CE 3.59Å; V260-M302 HydrophobicContact CG2-CG 4.32Å; V260-M302 HydrophobicContact CG2-SD 4.08Å; V260-E303 PolarHBondContact N-O 3.02Å; V260-L304 HydrophobicContact CB-CD2 3.94Å; V260-L304 HydrophobicContact CG1-CD2 4.1Å; V260-L304 HydrophobicContact CG2-CD2 4.39Å; V260-L305 WeakPolarHBondContact O-CB 3.48Å; V260-L305 PolarHBondContact O-N 2.87Å; V260-L305 VanDerWaalsContact O-N 3.15Å
261H89.7Confident92Very high50 Ų5044.6 Ų44.623%0.23121%0.206CC..EExtended strand (participates in β ladder)trans-90.7-36.3-178.6-58.7-71.9000111.6E265 S267H261-E265 HydrophobicContact CB-CB 4.48Å; H261-E265 HydrophobicContact CB-CG 4.27Å; H261-E265 PolarHBondContact N-O 3.44Å; H261-S267 PolarHBondContact CD2-OG 2.8Å; H261-S267 PolarHBondContact NE2-OG 2.81Å
262S88.6Confident91.7Very high19 Ų1943.7 Ų43.713%0.13320%0.201CC..EExtended strand (participates in β ladder)trans-150.5170.1174.181.20000110.2V260 Y264 E265V260-S262 WeakPolarHBondContact CG1-O 3.41Å; S262-Y264 PolarHBondContact O-N 2.88Å; S262-Y264 PolarHBondContact OG-N 3.1Å; S262-E265 PolarHBondContact N-O 2.85Å; S262-E265 PolarHBondContact O-N 2.95Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 VanDerWaalsContact O-O 3.09Å; S262-E265 WeakPolarHBondContact OG-CB 3.31Å; S262-E265 PolarHBondContact OG-N 2.76Å
263P89.6Confident91.6Very high40 Ų4047.3 Ų47.326%0.2623%0.226SC..THydrogen-bonded Turntrans-56.7-15.3173.4-25.135.5000114.5P288 I291 L311P263-P288 WeakPolarHBondContact O-CD 3.37Å; P263-P288 WeakPolarHBondContact O-CG 3.5Å; P263-I291 WeakPolarHBondContact O-CD1 3.5Å; P263-L311 HydrophobicContact CG-CD1 4.22Å
264Y92.4Very high91.2Very high35 Ų3545 Ų4514%0.13724%0.239CC..THydrogen-bonded Turntrans-112.9-3.4-177.8-57.9-73.6000113.6I7 F97 S262 I283 S284 P288I7-Y264 HydrophobicContact CB-CD2 4.31Å; I7-Y264 HydrophobicContact CD1-CD1 4.15Å; I7-Y264 HydrophobicContact CD1-CD2 3.6Å; I7-Y264 HydrophobicContact CD1-CE1 4.21Å; I7-Y264 HydrophobicContact CD1-CE2 3.65Å; I7-Y264 HydrophobicContact CD1-CG 3.85Å; I7-Y264 HydrophobicContact CG1-CD2 3.55Å; I7-Y264 HydrophobicContact CG1-CE2 3.7Å; I7-Y264 HydrophobicContact CG1-CG 4.21Å; I7-Y264 HydrophobicContact CG2-CD2 4.17Å; I7-Y264 HydrophobicContact CG2-CG 4.23Å; F97-Y264 AromaticContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CD1 3.94Å; F97-Y264 HydrophobicContact CE1-CE1 4.43Å; F97-Y264 HydrophobicContact CE1-CG 4.29Å; F97-Y264 HydrophobicContact CZ-CD1 4.26Å; F97-Y264 HydrophobicContact CZ-CG 4.27Å; S262-Y264 PolarHBondContact O-N 2.88Å; S262-Y264 PolarHBondContact OG-N 3.1Å; Y264-I283 CarbonylContact O-C 3.58Å; Y264-I283 WeakPolarHBondContact O-CA 3.12Å; Y264-S284 PolarHBondContact O-N 3.04Å; Y264-P288 HydrophobicContact CD1-CG 3.98Å; Y264-P288 HydrophobicContact CE1-CG 3.71Å
265E93Very high91Very high20 Ų2049 Ų499%0.09325%0.253CS..EExtended strand (participates in β ladder)trans-142127.5-169.1-177173.6-128.800113.4H261 S262 R281 L282 I283H261-E265 HydrophobicContact CB-CB 4.48Å; H261-E265 HydrophobicContact CB-CG 4.27Å; H261-E265 PolarHBondContact N-O 3.44Å; S262-E265 PolarHBondContact N-O 2.85Å; S262-E265 PolarHBondContact O-N 2.95Å; S262-E265 VanDerWaalsContact O-N 3.09Å; S262-E265 VanDerWaalsContact O-O 3.09Å; S262-E265 WeakPolarHBondContact OG-CB 3.31Å; S262-E265 PolarHBondContact OG-N 2.76Å; E265-R281 HydrophobicContact CG-CG 4.34Å; E265-R281 IonicContact OE1-CZ 2.71Å; E265-R281 VanDerWaalsContact OE1-CZ 3.3Å; E265-R281 IonicContact OE1-NE 2.78Å; E265-R281 PolarHBondContact OE1-NE 2.75Å; E265-R281 IonicContact OE1-NH2 3.61Å; E265-R281 PolarHBondContact OE1-NH2 2.91Å; E265-R281 VanDerWaalsContact OE1-NH2 3.14Å; E265-R281 IonicContact OE2-CZ 3.97Å; E265-R281 IonicContact OE2-NE 3.65Å; E265-R281 IonicContact OE2-NH2 3.4Å; E265-R281 PolarHBondContact OE2-NH2 2.92Å; E265-L282 WeakPolarHBondContact CA-O 3.49Å; E265-I283 HydrophobicContact CB-CG1 4.21Å; E265-I283 HydrophobicContact CG-CG1 3.84Å; E265-I283 WeakPolarHBondContact OE1-CD1 3.27Å; E265-I283 VanDerWaalsContact OE1-CG1 3.3Å; E265-I283 WeakPolarHBondContact OE1-CG1 3.17Å
266I94.6Very high90.6Very high0 Ų053 Ų530%028%0.279CS..EExtended strand (participates in β ladder)trans-128.9164.8175.670.6175000111.5L230 K259 V260 I268 R281 L282 M287 I291 L294L230-I266 HydrophobicContact CD2-CD1 4.43Å; K259-I266 CarbonylContact O-C 3.59Å; K259-I266 VanDerWaalsContact O-CA 3.24Å; K259-I266 WeakPolarHBondContact O-CA 2.96Å; V260-I266 HydrophobicContact CB-CG2 4.43Å; V260-I266 HydrophobicContact CG1-CG2 4.39Å; V260-I266 HydrophobicContact CG2-CG2 3.9Å; I266-I268 HydrophobicContact CD1-CD1 4.22Å; I266-I268 HydrophobicContact CD1-CG1 4.22Å; I266-R281 WeakPolarHBondContact O-CA 3.42Å; I266-L282 HydrophobicContact CD1-CD1 4.24Å; I266-L282 HydrophobicContact CG1-CB 3.94Å; I266-L282 HydrophobicContact CG1-CD1 4.27Å; I266-L282 PolarHBondContact N-O 3.08Å; I266-L282 PolarHBondContact O-N 2.82Å; I266-M287 HydrophobicContact CD1-CE 4.17Å; I266-M287 HydrophobicContact CD1-SD 3.78Å; I266-M287 HydrophobicContact CG1-CE 3.89Å; I266-M287 HydrophobicContact CG1-SD 3.98Å; I266-M287 HydrophobicContact CG2-CG 4.06Å; I266-M287 HydrophobicContact CG2-SD 4.02Å; I266-I291 HydrophobicContact CG2-CG1 4.3Å; I266-L294 HydrophobicContact CD1-CD1 3.62Å
267S94.7Very high90.4Very high22 Ų2252.4 Ų52.415%0.15428%0.276CS..EExtended strand (participates in β ladder)trans-131.8135.9165.2-60.40000110.1I258 K259 H261 Y280 R281I258-S267 CarbonylContact C-O 3.53Å; I258-S267 VanDerWaalsContact CA-O 3.29Å; I258-S267 WeakPolarHBondContact CA-O 3.5Å; K259-S267 PolarHBondContact N-O 3.31Å; K259-S267 PolarHBondContact O-N 3.21Å; H261-S267 PolarHBondContact CD2-OG 2.8Å; H261-S267 PolarHBondContact NE2-OG 2.81Å; S267-Y280 CarbonylContact C-O 3.56Å; S267-Y280 VanDerWaalsContact CA-O 3.24Å; S267-Y280 WeakPolarHBondContact CA-O 3.42Å; S267-R281 WeakPolarHBondContact OG-CG 3.44Å
268I95Very high90.3Very high1 Ų153.7 Ų53.71%0.00528%0.282CS..EExtended strand (participates in β ladder)trans-116.3131.2179.1-54.1162.9000107.3L230 L237 F250 V255 I258 I266 A279 Y280 L282L230-I268 HydrophobicContact CD1-CD1 4.44Å; L237-I268 HydrophobicContact CD1-CD1 3.77Å; L237-I268 HydrophobicContact CD1-CG1 4.4Å; L237-I268 HydrophobicContact CD1-CG2 4.36Å; F250-I268 HydrophobicContact CD1-CG2 4.18Å; F250-I268 HydrophobicContact CD2-CG2 3.9Å; F250-I268 HydrophobicContact CE1-CG2 3.88Å; F250-I268 HydrophobicContact CE2-CB 4.04Å; F250-I268 HydrophobicContact CE2-CD1 4.42Å; F250-I268 HydrophobicContact CE2-CG2 3.58Å; F250-I268 HydrophobicContact CG-CG2 4.16Å; F250-I268 HydrophobicContact CZ-CB 4.03Å; F250-I268 HydrophobicContact CZ-CG2 3.55Å; V255-I268 HydrophobicContact CG1-CG2 4.11Å; V255-I268 HydrophobicContact CG2-CG2 4.3Å; I258-I268 HydrophobicContact CG1-CG1 4.41Å; I258-I268 HydrophobicContact CG1-CG2 4.41Å; I258-I268 HydrophobicContact CG2-CG1 4.41Å; I266-I268 HydrophobicContact CD1-CD1 4.22Å; I266-I268 HydrophobicContact CD1-CG1 4.22Å; I268-A279 WeakPolarHBondContact O-CA 3.16Å; I268-Y280 PolarHBondContact N-O 3.17Å; I268-Y280 PolarHBondContact O-N 3.42Å; I268-L282 HydrophobicContact CD1-CD1 3.61Å; I268-L282 HydrophobicContact CG1-CD1 4.46Å
269R93.2Very high90.1Very high67 Ų6755.2 Ų55.225%0.25330%0.295SS..EExtended strand (participates in β ladder)trans-129139.8179.5179167.253.4166.8-6.6112.2D256 D257 R271 M278 A279D256-R269 PolarHBondContact N-O 2.57Å; D257-R269 PolarHBondContact N-O 3.08Å; D257-R269 PolarHBondContact O-N 3.15Å; D257-R269 IonicContact OD1-CZ 3.76Å; D257-R269 VanDerWaalsContact OD1-CZ 3.25Å; D257-R269 IonicContact OD1-NE 2.7Å; D257-R269 PolarHBondContact OD1-NE 3.39Å; D257-R269 IonicContact OD1-NH2 2.66Å; D257-R269 PolarHBondContact OD1-NH2 3.03Å; D257-R269 IonicContact OD2-CZ 3.97Å; D257-R269 IonicContact OD2-NE 3.63Å; D257-R269 PolarHBondContact OD2-NE 3.25Å; D257-R269 VanDerWaalsContact OD2-NE 3.1Å; D257-R269 IonicContact OD2-NH2 3.53Å; D257-R269 PolarHBondContact OD2-NH2 3.19Å; R269-R271 HydrophobicContact CG-CG 4.22Å; R269-M278 WeakPolarHBondContact CA-O 3.41Å; R269-A279 HydrophobicContact CG-CB 4.45Å
270Q93.3Very high90.1Very high11 Ų1153 Ų535%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-126.1128.7167171.7178.420.200107.9H248 F250 D254 D256 F272 M278H248-Q270 PolarHBondContact NE2-OE1 2.99Å; F250-Q270 HydrophobicContact CD1-CB 3.84Å; F250-Q270 HydrophobicContact CE1-CB 3.65Å; D254-Q270 HydrophobicContact CB-CG 4.49Å; D254-Q270 WeakPolarHBondContact O-CB 3.43Å; D254-Q270 VanDerWaalsContact O-CG 3.29Å; D254-Q270 WeakPolarHBondContact O-CG 3.25Å; D254-Q270 PolarHBondContact OD2-NE2 3.24Å; D256-Q270 WeakPolarHBondContact OD2-CA 3.44Å; Q270-F272 HydrophobicContact CB-CE2 4.36Å; Q270-F272 VanDerWaalsContact CD-CZ 3.42Å; Q270-F272 HydrophobicContact CG-CD2 4.36Å; Q270-F272 HydrophobicContact CG-CE2 3.58Å; Q270-F272 HydrophobicContact CG-CZ 3.76Å; Q270-F272 VanDerWaalsContact NE2-CZ 3.35Å; Q270-M278 HydrophobicContact CB-CB 4.46Å; Q270-M278 PolarHBondContact N-O 3.45Å; Q270-M278 PolarHBondContact O-N 2.85Å
271R90.4Very high90.1Very high125 Ų12555.8 Ų55.847%0.47230%0.295SS..  trans-99145.9-174.2-58.5177.3-167.3-176.89.3110.4D256 D257 R269 D277D256-R271 HydrophobicContact CB-CG 4.06Å; D256-R271 WeakPolarHBondContact OD2-CB 3.32Å; D256-R271 WeakPolarHBondContact OD2-CG 3.43Å; D256-R271 PolarHBondContact OD2-N 2.77Å; D257-R271 IonicContact OD1-CZ 2.09Å; D257-R271 IonicContact OD1-NE 3.24Å; D257-R271 PolarHBondContact OD1-NE 3.22Å; D257-R271 IonicContact OD1-NH2 2.74Å; D257-R271 PolarHBondContact OD1-NH2 2.97Å; R269-R271 HydrophobicContact CG-CG 4.22Å; R271-D277 VanDerWaalsContact CA-OD1 3.3Å; R271-D277 WeakPolarHBondContact CA-OD1 3.32Å
272F86.2Confident90.4Very high81 Ų8153.4 Ų53.436%0.35528%0.284SS..  trans-129.1138.5178.4-69.7-87.4000111.6Q270 G274 K275 D277 M278Q270-F272 HydrophobicContact CB-CE2 4.36Å; Q270-F272 VanDerWaalsContact CD-CZ 3.42Å; Q270-F272 HydrophobicContact CG-CD2 4.36Å; Q270-F272 HydrophobicContact CG-CE2 3.58Å; Q270-F272 HydrophobicContact CG-CZ 3.76Å; Q270-F272 VanDerWaalsContact NE2-CZ 3.35Å; F272-G274 PolarHBondContact O-N 3.06Å; F272-K275 HydrophobicContact CB-CB 3.83Å; F272-K275 VanDerWaalsContact O-O 3.05Å; F272-D277 PolarHBondContact N-OD1 3.11Å; F272-M278 HydrophobicContact CD2-CG 4.26Å; F272-M278 HydrophobicContact CE2-CB 4.05Å; F272-M278 HydrophobicContact CE2-CG 3.6Å; F272-M278 HydrophobicContact CZ-CG 4.49Å
273I84.9Confident90.7Very high180 Ų18053.2 Ų53.292%0.92328%0.281SS*.SBendtrans-79122.2172.1-58.4175.6000108.2K275I273-K275 PolarHBondContact O-N 3.22Å
274G80.6Confident90.9Very high86 Ų8651.3 Ų51.389%0.88727%0.269SS*.SBendtrans74.52.9177.800000115.8F272F272-G274 PolarHBondContact O-N 3.06Å
275K85.3Confident90.9Very high152 Ų15250.9 Ų50.966%0.66127%0.272SS*.SBendtrans-129.3153.4171.5-66.4178.8-178.1176.20109.1F272 I273F272-K275 HydrophobicContact CB-CB 3.83Å; F272-K275 VanDerWaalsContact O-O 3.05Å; I273-K275 PolarHBondContact O-N 3.22Å
276P84.8Confident90.9Very high85 Ų8552.2 Ų52.255%0.55228%0.278SS*.  trans-66.9136.3175.427.8-35.3000111.5R220R220-P276 PolarHBondContact NH2-O 2.83Å
277D87.9Confident90.9Very high56 Ų5652.2 Ų52.230%0.29928%0.278SS..  trans-48147.6176.3-66.2-3.7000113.1R220 R271 F272R220-D277 PolarHBondContact NH2-O 2.86Å; R271-D277 VanDerWaalsContact CA-OD1 3.3Å; R271-D277 WeakPolarHBondContact CA-OD1 3.32Å; F272-D277 PolarHBondContact N-OD1 3.11Å
278M89.9Confident90.7Very high33 Ų3353.9 Ų53.916%0.16329%0.288CS..EExtended strand (participates in β ladder)trans-95108.2168.8-68.8-52.8-54.600108.8H219 R269 Q270 F272 Y280H219-M278 VanDerWaalsContact NE2-CE 3.35Å; H219-M278 WeakPolarHBondContact NE2-CE 3.39Å; R269-M278 WeakPolarHBondContact CA-O 3.41Å; Q270-M278 HydrophobicContact CB-CB 4.46Å; Q270-M278 PolarHBondContact N-O 3.45Å; Q270-M278 PolarHBondContact O-N 2.85Å; F272-M278 HydrophobicContact CD2-CG 4.26Å; F272-M278 HydrophobicContact CE2-CB 4.05Å; F272-M278 HydrophobicContact CE2-CG 3.6Å; F272-M278 HydrophobicContact CZ-CG 4.49Å; M278-Y280 HydrophobicContact CE-CE2 3.6Å
279A91.6Very high90.5Very high33 Ų3358.5 Ų58.527%0.27331%0.31SS..EExtended strand (participates in β ladder)trans-129.6122.1-177.400000110.6H219 R220 I268 R269H219-A279 PolarHBondContact CD2-O 3.2Å; R220-A279 PolarHBondContact N-O 3.35Å; I268-A279 WeakPolarHBondContact O-CA 3.16Å; R269-A279 HydrophobicContact CG-CB 4.45Å
280Y93.8Very high90.5Very high14 Ų1455.3 Ų55.36%0.05530%0.298CS..EExtended strand (participates in β ladder)trans-120135.4178.4-73.7-90.1000110.2I217 S218 H219 I239 M247 H248 F250 S267 I268 M278I217-Y280 HydrophobicContact CG2-CD1 3.67Å; I217-Y280 HydrophobicContact CG2-CE1 4.22Å; S218-Y280 WeakPolarHBondContact O-CA 3.43Å; H219-Y280 HydrophobicContact CB-CD1 4.13Å; H219-Y280 HydrophobicContact CB-CE1 3.92Å; H219-Y280 AromaticContact CD2-CE1 3.92Å; H219-Y280 AromaticContact CD2-CZ 3.77Å; I239-Y280 VanDerWaalsContact CD1-CB 3.48Å; I239-Y280 HydrophobicContact CD1-CD1 3.86Å; I239-Y280 HydrophobicContact CD1-CD2 3.88Å; I239-Y280 HydrophobicContact CD1-CG 3.46Å; I239-Y280 VanDerWaalsContact CD1-CG 3.46Å; I239-Y280 HydrophobicContact CG2-CD1 4.43Å; M247-Y280 HydrophobicContact CE-CE1 4.25Å; H248-Y280 HydrophobicContact CB-CD2 4.44Å; H248-Y280 HydrophobicContact CB-CE2 3.52Å; H248-Y280 AromaticContact CG-CE2 3.8Å; F250-Y280 HydrophobicContact CE2-CD2 4.18Å; F250-Y280 AromaticContact CZ-CD2 3.84Å; F250-Y280 HydrophobicContact CZ-CD2 3.84Å; S267-Y280 CarbonylContact C-O 3.56Å; S267-Y280 VanDerWaalsContact CA-O 3.24Å; S267-Y280 WeakPolarHBondContact CA-O 3.42Å; I268-Y280 PolarHBondContact N-O 3.17Å; I268-Y280 PolarHBondContact O-N 3.42Å; M278-Y280 HydrophobicContact CE-CE2 3.6Å
281R93.6Very high90.5Very high62 Ų6255.7 Ų55.723%0.23430%0.3CS..EExtended strand (participates in β ladder)trans-112.2134.8172-179.9168.7-174.9177.9-4.6108.9S218 E222 E265 I266 S267S218-R281 PolarHBondContact N-O 2.66Å; S218-R281 PolarHBondContact O-N 2.7Å; E222-R281 IonicContact OE1-CZ 2.96Å; E222-R281 IonicContact OE1-NH1 3.38Å; E222-R281 PolarHBondContact OE1-NH1 2.82Å; E265-R281 HydrophobicContact CG-CG 4.34Å; E265-R281 IonicContact OE1-CZ 2.71Å; E265-R281 VanDerWaalsContact OE1-CZ 3.3Å; E265-R281 IonicContact OE1-NE 2.78Å; E265-R281 PolarHBondContact OE1-NE 2.75Å; E265-R281 IonicContact OE1-NH2 3.61Å; E265-R281 PolarHBondContact OE1-NH2 2.91Å; E265-R281 VanDerWaalsContact OE1-NH2 3.14Å; E265-R281 IonicContact OE2-CZ 3.97Å; E265-R281 IonicContact OE2-NE 3.65Å; E265-R281 IonicContact OE2-NH2 3.4Å; E265-R281 PolarHBondContact OE2-NH2 2.92Å; I266-R281 WeakPolarHBondContact O-CA 3.42Å; S267-R281 WeakPolarHBondContact OG-CG 3.44Å
282L94.9Very high90.5Very high0 Ų053 Ų530%030%0.298CS..EExtended strand (participates in β ladder)trans-131.7122-165.4-65170.8000109.2A215 V216 I217 L230 I239 E265 I266 I268 M287A215-L282 HydrophobicContact CB-CD2 4.36Å; V216-L282 WeakPolarHBondContact O-CA 3.44Å; I217-L282 HydrophobicContact CB-CD2 4.13Å; I217-L282 HydrophobicContact CG1-CD2 3.63Å; I217-L282 HydrophobicContact CG2-CD2 4.04Å; L230-L282 HydrophobicContact CD1-CD1 3.97Å; L230-L282 HydrophobicContact CD2-CD1 4.11Å; L230-L282 HydrophobicContact CG-CD1 4.42Å; I239-L282 HydrophobicContact CD1-CD1 4.12Å; I239-L282 HydrophobicContact CD1-CD2 4.24Å; I239-L282 HydrophobicContact CG1-CD1 4.49Å; E265-L282 WeakPolarHBondContact CA-O 3.49Å; I266-L282 HydrophobicContact CD1-CD1 4.24Å; I266-L282 HydrophobicContact CG1-CB 3.94Å; I266-L282 HydrophobicContact CG1-CD1 4.27Å; I266-L282 PolarHBondContact N-O 3.08Å; I266-L282 PolarHBondContact O-N 2.82Å; I268-L282 HydrophobicContact CD1-CD1 3.61Å; I268-L282 HydrophobicContact CG1-CD1 4.46Å; L282-M287 HydrophobicContact CB-CE 3.89Å; L282-M287 WeakPolarHBondContact O-CE 3.47Å
283I94.4Very high90.8Very high14 Ų1451.3 Ų51.37%0.07229%0.293CS..EExtended strand (participates in β ladder)trans-113.1131.8174.7-58.5170.3000108.6I93 F97 A215 V216 Y264 E265I93-I283 HydrophobicContact CD1-CD1 3.76Å; I93-I283 HydrophobicContact CG1-CD1 4.25Å; I93-I283 HydrophobicContact CG2-CG2 4.46Å; F97-I283 HydrophobicContact CE2-CG2 3.75Å; F97-I283 HydrophobicContact CZ-CG2 4.12Å; A215-I283 WeakPolarHBondContact CA-O 3.35Å; V216-I283 HydrophobicContact CB-CB 4.39Å; V216-I283 PolarHBondContact N-O 2.92Å; V216-I283 PolarHBondContact O-N 3.01Å; Y264-I283 CarbonylContact O-C 3.58Å; Y264-I283 WeakPolarHBondContact O-CA 3.12Å; E265-I283 HydrophobicContact CB-CG1 4.21Å; E265-I283 HydrophobicContact CG-CG1 3.84Å; E265-I283 WeakPolarHBondContact OE1-CD1 3.27Å; E265-I283 VanDerWaalsContact OE1-CG1 3.3Å; E265-I283 WeakPolarHBondContact OE1-CG1 3.17Å
284S94.7Very high91.1Very high0 Ų042.7 Ų42.70%025%0.249CC..  trans-155.3141.9171.3-1750000114H96 P214 Y264 K286 M287H96-S284 PolarHBondContact NE2-OG 2.95Å; H96-S284 VanDerWaalsContact NE2-OG 3.16Å; P214-S284 VanDerWaalsContact O-CB 3.26Å; P214-S284 WeakPolarHBondContact O-CB 3.43Å; P214-S284 PolarHBondContact O-OG 3.01Å; Y264-S284 PolarHBondContact O-N 3.04Å; S284-K286 PolarHBondContact O-N 2.93Å; S284-K286 PolarHBondContact OG-N 3.2Å; S284-M287 VanDerWaalsContact O-CB 3.26Å; S284-M287 WeakPolarHBondContact O-CB 3.46Å; S284-M287 PolarHBondContact O-N 2.74Å; S284-M287 VanDerWaalsContact O-N 3.13Å
285A92.3Very high91.5Very high26 Ų2642.1 Ų42.122%0.21522%0.223CC..THydrogen-bonded Turntrans-54.6-28.6165.100000113.8H96 F97 E100 P288H96-A285 PolarHBondContact NE2-N 3.43Å; F97-A285 HydrophobicContact CD1-CB 3.58Å; F97-A285 HydrophobicContact CE1-CB 3.58Å; F97-A285 HydrophobicContact CG-CB 4.34Å; F97-A285 HydrophobicContact CZ-CB 4.34Å; E100-A285 HydrophobicContact CB-CB 3.74Å; E100-A285 HydrophobicContact CG-CB 4.04Å; A285-P288 WeakPolarHBondContact O-CD 3.48Å
286K92.6Very high91.6Very high48 Ų4840.4 Ų40.421%0.20923%0.225CC..THydrogen-bonded Turntrans-94.40.7-179.1-67.4-74.5173.4175.90114E100 I213 S284 P288 E289E100-K286 WeakPolarHBondContact OE2-CG 3.46Å; I213-K286 HydrophobicContact CB-CB 3.87Å; I213-K286 HydrophobicContact CD1-CB 4.33Å; I213-K286 HydrophobicContact CG2-CB 3.64Å; S284-K286 PolarHBondContact O-N 2.93Å; S284-K286 PolarHBondContact OG-N 3.2Å; K286-P288 VanDerWaalsContact C-N 3.33Å; K286-E289 WeakPolarHBondContact CD-OE1 2.52Å; K286-E289 IonicContact NZ-OE1 3.98Å; K286-E289 PolarHBondContact NZ-OE1 3.39Å; K286-E289 IonicContact NZ-OE2 2.88Å; K286-E289 WeakPolarHBondContact O-CB 3.2Å; K286-E289 PolarHBondContact O-N 2.96Å; K286-E289 VanDerWaalsContact O-N 3.08Å
287M94.1Very high91.6Very high0 Ų037.4 Ų37.40%020%0.203CC..Hα-helixtrans-57.5-33.5177.5-160.365.272.200114.6I213 I266 L282 S284 E289 V290 I291I213-M287 HydrophobicContact CD1-CE 4.23Å; I213-M287 HydrophobicContact CD1-SD 4.16Å; I266-M287 HydrophobicContact CD1-CE 4.17Å; I266-M287 HydrophobicContact CD1-SD 3.78Å; I266-M287 HydrophobicContact CG1-CE 3.89Å; I266-M287 HydrophobicContact CG1-SD 3.98Å; I266-M287 HydrophobicContact CG2-CG 4.06Å; I266-M287 HydrophobicContact CG2-SD 4.02Å; L282-M287 HydrophobicContact CB-CE 3.89Å; L282-M287 WeakPolarHBondContact O-CE 3.47Å; S284-M287 VanDerWaalsContact O-CB 3.26Å; S284-M287 WeakPolarHBondContact O-CB 3.46Å; S284-M287 PolarHBondContact O-N 2.74Å; S284-M287 VanDerWaalsContact O-N 3.13Å; M287-E289 PolarHBondContact O-N 3.33Å; M287-V290 WeakPolarHBondContact O-CA 3.4Å; M287-V290 PolarHBondContact O-N 2.73Å; M287-V290 HydrophobicContact SD-CB 4.29Å; M287-V290 HydrophobicContact SD-CG1 4.32Å; M287-I291 HydrophobicContact CG-CD1 3.95Å; M287-I291 HydrophobicContact CG-CG1 4.02Å; M287-I291 WeakPolarHBondContact O-CG1 3.09Å; M287-I291 PolarHBondContact O-N 2.88Å
288P91.1Very high91.6Very high57 Ų5735 Ų3537%0.3719%0.19SC..Hα-helixtrans-60.2-23.8174.4-25.935.1000114.7P263 Y264 A285 K286 P292P263-P288 WeakPolarHBondContact O-CD 3.37Å; P263-P288 WeakPolarHBondContact O-CG 3.5Å; Y264-P288 HydrophobicContact CD1-CG 3.98Å; Y264-P288 HydrophobicContact CE1-CG 3.71Å; A285-P288 WeakPolarHBondContact O-CD 3.48Å; K286-P288 VanDerWaalsContact C-N 3.33Å; P288-P292 VanDerWaalsContact O-CD 3.31Å; P288-P292 WeakPolarHBondContact O-CD 3.43Å
289E91.4Very high91.4Very high98 Ų9837.2 Ų37.246%0.45821%0.209SC..Hα-helixtrans-79.5-21.8175-57.9173.7-160.800111.4I211 K286 M287I211-E289 HydrophobicContact CD1-CB 3.87Å; K286-E289 WeakPolarHBondContact CD-OE1 2.52Å; K286-E289 IonicContact NZ-OE1 3.98Å; K286-E289 PolarHBondContact NZ-OE1 3.39Å; K286-E289 IonicContact NZ-OE2 2.88Å; K286-E289 WeakPolarHBondContact O-CB 3.2Å; K286-E289 PolarHBondContact O-N 2.96Å; K286-E289 VanDerWaalsContact O-N 3.08Å; M287-E289 PolarHBondContact O-N 3.33Å
290V93.5Very high91.2Very high0 Ų045.5 Ų45.50%024%0.239CC..Hα-helixtrans-95.1-39.5-176.2172.20000113.1I211 I213 L230 V232 M287 I293 L294I211-V290 HydrophobicContact CD1-CG2 4.02Å; I211-V290 HydrophobicContact CG1-CG2 4.39Å; I211-V290 HydrophobicContact CG2-CG2 3.87Å; I213-V290 HydrophobicContact CB-CG2 4.41Å; I213-V290 HydrophobicContact CD1-CB 4.35Å; I213-V290 HydrophobicContact CD1-CG2 3.54Å; I213-V290 HydrophobicContact CG1-CG2 3.85Å; I213-V290 HydrophobicContact CG2-CG2 3.67Å; L230-V290 HydrophobicContact CD2-CG1 4.07Å; V232-V290 HydrophobicContact CG2-CG1 3.88Å; M287-V290 WeakPolarHBondContact O-CA 3.4Å; M287-V290 PolarHBondContact O-N 2.73Å; M287-V290 HydrophobicContact SD-CB 4.29Å; M287-V290 HydrophobicContact SD-CG1 4.32Å; V290-I293 WeakPolarHBondContact O-CB 3.41Å; V290-I293 PolarHBondContact O-N 3.45Å; V290-L294 HydrophobicContact CG1-CD1 3.75Å; V290-L294 HydrophobicContact CG1-CD2 4.43Å; V290-L294 HydrophobicContact CG1-CG 3.8Å; V290-L294 PolarHBondContact O-N 2.81Å
291I93.1Very high91Very high19 Ų1947.7 Ų47.710%0.09725%0.249CC..Hα-helixtrans-51.2-46.1-176.3-72.5165000112.7V260 P263 I266 M287 I293 L294 E295 M302V260-I291 HydrophobicContact CG1-CD1 4.07Å; P263-I291 WeakPolarHBondContact O-CD1 3.5Å; I266-I291 HydrophobicContact CG2-CG1 4.3Å; M287-I291 HydrophobicContact CG-CD1 3.95Å; M287-I291 HydrophobicContact CG-CG1 4.02Å; M287-I291 WeakPolarHBondContact O-CG1 3.09Å; M287-I291 PolarHBondContact O-N 2.88Å; I291-I293 VanDerWaalsContact C-N 3.26Å; I291-I293 PolarHBondContact O-N 2.89Å; I291-L294 PolarHBondContact O-N 3.33Å; I291-E295 HydrophobicContact CG2-CG 4.41Å; I291-E295 WeakPolarHBondContact O-CG 3.3Å; I291-E295 PolarHBondContact O-N 3.07Å; I291-M302 HydrophobicContact CG2-CE 4.25Å
292P90.6Very high90.8Very high68 Ų6846.2 Ų46.244%0.44225%0.245SC..Hα-helixtrans-62.1-30.6178.1-23.735.2000114P288 V296P288-P292 VanDerWaalsContact O-CD 3.31Å; P288-P292 WeakPolarHBondContact O-CD 3.43Å; P292-V296 WeakPolarHBondContact O-CG2 3.22Å; P292-V296 PolarHBondContact O-N 3.22Å
293I91.6Very high90.4Very high46 Ų4650.8 Ų50.824%0.23627%0.266CS..Hα-helixtrans-73.7-41.4177.7-59.8167000109.6L210 I211 V232 V290 I291 V296 Q297L210-I293 HydrophobicContact CB-CG2 4.25Å; L210-I293 HydrophobicContact CD1-CG2 3.69Å; I211-I293 HydrophobicContact CB-CD1 4.01Å; I211-I293 HydrophobicContact CD1-CD1 4.32Å; I211-I293 HydrophobicContact CG2-CD1 3.58Å; V232-I293 HydrophobicContact CG1-CG2 3.92Å; V290-I293 WeakPolarHBondContact O-CB 3.41Å; V290-I293 PolarHBondContact O-N 3.45Å; I291-I293 VanDerWaalsContact C-N 3.26Å; I291-I293 PolarHBondContact O-N 2.89Å; I293-V296 PolarHBondContact O-N 3.43Å; I293-Q297 PolarHBondContact O-N 2.83Å
294L91.6Very high89.5Confident0 Ų053.3 Ų53.30%028%0.28CS..Hα-helixtrans-64.1-39.7173.8-62.5-179.8000111.9V232 L237 I258 I266 V290 I291 V296 Q297 F298V232-L294 HydrophobicContact CG1-CD2 4.38Å; V232-L294 HydrophobicContact CG2-CD2 4.36Å; L237-L294 HydrophobicContact CD1-CD2 4.16Å; L237-L294 HydrophobicContact CD2-CD2 3.6Å; I258-L294 HydrophobicContact CD1-CD2 4.43Å; I266-L294 HydrophobicContact CD1-CD1 3.62Å; V290-L294 HydrophobicContact CG1-CD1 3.75Å; V290-L294 HydrophobicContact CG1-CD2 4.43Å; V290-L294 HydrophobicContact CG1-CG 3.8Å; V290-L294 PolarHBondContact O-N 2.81Å; I291-L294 PolarHBondContact O-N 3.33Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 3.33Å; L294-Q297 PolarHBondContact O-N 2.93Å; L294-F298 HydrophobicContact CD2-CD2 4.04Å; L294-F298 HydrophobicContact CD2-CE2 4.16Å; L294-F298 WeakPolarHBondContact O-CA 3.5Å; L294-F298 WeakPolarHBondContact O-CB 3.33Å; L294-F298 PolarHBondContact O-N 2.88Å
295E88.5Confident88.4Confident73 Ų7357.7 Ų57.734%0.34130%0.303SS..Hα-helixtrans-56.7-45.4173.6-76.7-178.217500111.4I291 S299 M302I291-E295 HydrophobicContact CG2-CG 4.41Å; I291-E295 WeakPolarHBondContact O-CG 3.3Å; I291-E295 PolarHBondContact O-N 3.07Å; E295-S299 VanDerWaalsContact O-CA 3.27Å; E295-S299 WeakPolarHBondContact O-CA 3.37Å; E295-S299 WeakPolarHBondContact O-CB 3.25Å; E295-S299 PolarHBondContact O-N 3.28Å; E295-M302 HydrophobicContact CB-SD 4.48Å; E295-M302 HydrophobicContact CG-CE 3.33Å; E295-M302 HydrophobicContact CG-SD 3.61Å; E295-M302 WeakPolarHBondContact OE1-CE 3.37Å
296V87.7Confident86.2Confident117 Ų11764 Ų6471%0.70933%0.327SS*.Hα-helixtrans-66.5-44.9178.2172.50000112P292 I293 L294P292-V296 WeakPolarHBondContact O-CG2 3.22Å; P292-V296 PolarHBondContact O-N 3.22Å; I293-V296 PolarHBondContact O-N 3.43Å; L294-V296 VanDerWaalsContact C-N 3.32Å; L294-V296 PolarHBondContact O-N 3.33Å
297Q85.3Confident84.1Confident21 Ų2167.7 Ų67.710%0.09835%0.349CS..Hα-helixtrans-77.8-35.3-175.9-72.3-171.6-55.800114.2L210 L233 V234 R252 I293 L294L210-Q297 HydrophobicContact CD1-CG 4.43Å; L233-Q297 PolarHBondContact O-NE2 2.92Å; V234-Q297 PolarHBondContact O-NE2 2.96Å; R252-Q297 PolarHBondContact NE-O 2.82Å; R252-Q297 PolarHBondContact NH2-O 2.9Å; I293-Q297 PolarHBondContact O-N 2.83Å; L294-Q297 PolarHBondContact O-N 2.93Å
298F87.9Confident81.8Confident5 Ų568.5 Ų68.52%0.02236%0.356CS..Hα-helixtrans-125.515-166.8-62.3-86.9000113.9L237 R252 V255 I258 L294 K300 K301 M302L237-F298 HydrophobicContact CD1-CE2 4.06Å; L237-F298 HydrophobicContact CD1-CZ 4.07Å; L237-F298 HydrophobicContact CD2-CE2 4Å; L237-F298 HydrophobicContact CD2-CZ 4.4Å; L237-F298 HydrophobicContact CG-CE2 4.02Å; L237-F298 HydrophobicContact CG-CZ 3.95Å; R252-F298 HydrophobicContact CB-CE1 4.3Å; R252-F298 HydrophobicContact CB-CZ 4.4Å; R252-F298 HydrophobicContact CG-CD1 4.49Å; R252-F298 HydrophobicContact CG-CE1 3.79Å; R252-F298 HydrophobicContact CG-CZ 4.05Å; V255-F298 HydrophobicContact CB-CD1 4.24Å; V255-F298 HydrophobicContact CB-CE1 3.97Å; V255-F298 HydrophobicContact CG1-CD1 4.32Å; V255-F298 HydrophobicContact CG1-CE1 4.44Å; V255-F298 HydrophobicContact CG2-CD1 4.4Å; V255-F298 HydrophobicContact CG2-CE1 3.72Å; V255-F298 HydrophobicContact CG2-CZ 4.34Å; I258-F298 HydrophobicContact CD1-CB 3.82Å; I258-F298 HydrophobicContact CD1-CD1 4.11Å; I258-F298 HydrophobicContact CD1-CD2 3.89Å; I258-F298 HydrophobicContact CD1-CG 3.68Å; L294-F298 HydrophobicContact CD2-CD2 4.04Å; L294-F298 HydrophobicContact CD2-CE2 4.16Å; L294-F298 WeakPolarHBondContact O-CA 3.5Å; L294-F298 WeakPolarHBondContact O-CB 3.33Å; L294-F298 PolarHBondContact O-N 2.88Å; F298-K300 VanDerWaalsContact C-N 3.27Å; F298-K300 PolarHBondContact O-N 3.29Å; F298-K301 HydrophobicContact CB-CB 4.48Å; F298-K301 HydrophobicContact CD1-CD 4.19Å; F298-K301 CarbonylContact O-C 3.52Å; F298-K301 WeakPolarHBondContact O-CA 3.33Å; F298-K301 WeakPolarHBondContact O-CB 3.35Å; F298-K301 PolarHBondContact O-N 3.42Å; F298-M302 PolarHBondContact O-N 2.8Å; F298-M302 VanDerWaalsContact O-N 3.11Å
299S85.7Confident79.5Confident80 Ų8069.2 Ų69.256%0.55936%0.357SS*.G310 helixtrans-35.1-47.9179.846.40000116.4E295 K301 M302E295-S299 VanDerWaalsContact O-CA 3.27Å; E295-S299 WeakPolarHBondContact O-CA 3.37Å; E295-S299 WeakPolarHBondContact O-CB 3.25Å; E295-S299 PolarHBondContact O-N 3.28Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.48Å; S299-M302 PolarHBondContact O-N 2.89Å
300K86.9Confident77.3Confident208 Ų20869.3 Ų69.390%0.90436%0.364SS*.G310 helixtrans-70.8-17.9-179.6-64-176.2180179.90114.9F298F298-K300 VanDerWaalsContact C-N 3.27Å; F298-K300 PolarHBondContact O-N 3.29Å
301K88.6Confident75.1Confident60 Ų6073.1 Ų73.126%0.26138%0.384SS..G310 helixtrans-109-1.2-176.8-64171.8163.4-162.30111.7R252 E253 V255 D257 I258 F298 S299R252-K301 PolarHBondContact O-NZ 3.22Å; E253-K301 PolarHBondContact O-NZ 3.28Å; V255-K301 HydrophobicContact CB-CD 4.46Å; V255-K301 WeakPolarHBondContact O-CD 3.43Å; V255-K301 WeakPolarHBondContact O-CE 3.38Å; V255-K301 PolarHBondContact O-NZ 3.37Å; D257-K301 CarbonylContact C-O 3.37Å; D257-K301 VanDerWaalsContact CA-O 3.32Å; D257-K301 WeakPolarHBondContact CA-O 3.41Å; I258-K301 PolarHBondContact N-O 3Å; F298-K301 HydrophobicContact CB-CB 4.48Å; F298-K301 HydrophobicContact CD1-CD 4.19Å; F298-K301 CarbonylContact O-C 3.52Å; F298-K301 WeakPolarHBondContact O-CA 3.33Å; F298-K301 WeakPolarHBondContact O-CB 3.35Å; F298-K301 PolarHBondContact O-N 3.42Å; S299-K301 VanDerWaalsContact C-N 3.27Å; S299-K301 PolarHBondContact O-N 3.48Å
302M89.5Confident72.8Confident30 Ų3080 Ų8015%0.14841%0.409CS..EExtended strand (participates in β ladder)trans-100.6127.4-175-173.8169.1134.900112I258 V260 I291 E295 F298 S299 L304I258-M302 CarbonylContact O-C 3.53Å; I258-M302 VanDerWaalsContact O-CA 3.3Å; I258-M302 WeakPolarHBondContact O-CA 3.49Å; V260-M302 HydrophobicContact CG2-CE 3.59Å; V260-M302 HydrophobicContact CG2-CG 4.32Å; V260-M302 HydrophobicContact CG2-SD 4.08Å; I291-M302 HydrophobicContact CG2-CE 4.25Å; E295-M302 HydrophobicContact CB-SD 4.48Å; E295-M302 HydrophobicContact CG-CE 3.33Å; E295-M302 HydrophobicContact CG-SD 3.61Å; E295-M302 WeakPolarHBondContact OE1-CE 3.37Å; F298-M302 PolarHBondContact O-N 2.8Å; F298-M302 VanDerWaalsContact O-N 3.11Å; S299-M302 PolarHBondContact O-N 2.89Å; M302-L304 HydrophobicContact CE-CD1 4.26Å; M302-L304 HydrophobicContact CE-CD2 3.83Å; M302-L304 HydrophobicContact CE-CG 3.86Å
303E86.8Confident70.3Confident96 Ų9680.4 Ų80.445%0.44941%0.412SS..EExtended strand (participates in β ladder)trans-111.7127.5175-63.5178.3-15300110I258 K259 V260I258-E303 PolarHBondContact O-N 3.43Å; K259-E303 WeakPolarHBondContact CA-O 3.39Å; K259-E303 HydrophobicContact CG-CB 4.33Å; K259-E303 IonicContact NZ-OE1 3.54Å; K259-E303 PolarHBondContact NZ-OE1 3.46Å; K259-E303 VanDerWaalsContact NZ-OE1 3.08Å; K259-E303 IonicContact NZ-OE2 2.72Å; K259-E303 PolarHBondContact NZ-OE2 3.11Å; V260-E303 PolarHBondContact N-O 3.02Å
304L77.1Confident67.7Low68 Ų6882.3 Ų82.336%0.35644%0.435SS..EExtended strand (participates in β ladder)trans-99.2124.8173.1-77.1158.1000109.5V260 M302V260-L304 HydrophobicContact CB-CD2 3.94Å; V260-L304 HydrophobicContact CG1-CD2 4.1Å; V260-L304 HydrophobicContact CG2-CD2 4.39Å; M302-L304 HydrophobicContact CE-CD1 4.26Å; M302-L304 HydrophobicContact CE-CD2 3.83Å; M302-L304 HydrophobicContact CE-CG 3.86Å
305L69.8Low65.3Low92 Ų9293.4 Ų93.448%0.48248%0.477SS..  trans-74.4140.5173.8-156.873.2000110.6V260 D307 A308V260-L305 WeakPolarHBondContact O-CB 3.48Å; V260-L305 PolarHBondContact O-N 2.87Å; V260-L305 VanDerWaalsContact O-N 3.15Å; L305-D307 VanDerWaalsContact C-N 3.26Å; L305-D307 PolarHBondContact O-N 3.41Å; L305-D307 VanDerWaalsContact O-N 3.11Å; L305-A308 WeakPolarHBondContact O-CB 3.42Å; L305-A308 PolarHBondContact O-N 2.78Å
306E47.6Very low62.9Low157 Ų15795.5 Ų95.573%0.73450%0.495SS*.Hα-helixtrans-58.1-29.7-168.3-83.3-178.8121.800115A308 L309E306-A308 PolarHBondContact O-N 3.14Å; E306-L309 HydrophobicContact CG-CD1 4.12Å; E306-L309 VanDerWaalsContact O-CB 3.31Å; E306-L309 WeakPolarHBondContact O-CB 3.39Å; E306-L309 PolarHBondContact O-N 3.19Å
307D48.2Very low60.1Low126 Ų12695.4 Ų95.467%0.67450%0.5SS*.Hα-helixtrans-61.2-26.3177.4-69.2-35.8000113.1L305L305-D307 VanDerWaalsContact C-N 3.26Å; L305-D307 PolarHBondContact O-N 3.41Å; L305-D307 VanDerWaalsContact O-N 3.11Å
308A44.6Very low57.3Low17 Ų1799.8 Ų99.814%0.1453%0.532CS..Hα-helixtrans-74.9-24.2173.400000112.9L305 E306 L311L305-A308 WeakPolarHBondContact O-CB 3.42Å; L305-A308 PolarHBondContact O-N 2.78Å; E306-A308 PolarHBondContact O-N 3.14Å; A308-L311 PolarHBondContact O-N 2.71Å
309L42.9Very low54.9Low72 Ų72106 Ų10638%0.37757%0.574SS.*Hα-helixtrans-72.7-29.7-178.6-58.6177.8000112.2E306 L311 R312 S313E306-L309 HydrophobicContact CG-CD1 4.12Å; E306-L309 VanDerWaalsContact O-CB 3.31Å; E306-L309 WeakPolarHBondContact O-CB 3.39Å; E306-L309 PolarHBondContact O-N 3.19Å; L309-L311 PolarHBondContact O-N 2.66Å; L309-R312 PolarHBondContact O-N 2.92Å; L309-R312 VanDerWaalsContact O-N 3.07Å; L309-S313 PolarHBondContact O-N 3.47Å
310V45.2Very low52.1Low100 Ų100107.1 Ų107.161%0.60659%0.587SS**Hα-helixtrans-63.8-29.2177.2-173.90000112S313V310-S313 PolarHBondContact O-OG 3.45Å
311L48.2Very low49.5Very low80 Ų80104.5 Ų104.542%0.41958%0.578SS.*Hα-helixtrans-78.4-28173.9-70.3169.5000112.8V5 P263 A308 L309V5-L311 HydrophobicContact CG1-CD1 3.87Å; V5-L311 HydrophobicContact CG2-CD1 3.89Å; V5-L311 HydrophobicContact CG2-CD2 3.93Å; P263-L311 HydrophobicContact CG-CD1 4.22Å; A308-L311 PolarHBondContact O-N 2.71Å; L309-L311 PolarHBondContact O-N 2.66Å
312R44.5Very low46.7Very low165 Ų165109.2 Ų109.262%0.62360%0.599SS**Hα-helixtrans-78.8-38179.4179.5170.9157.1164.6-7.7112.2L309 A314 R315L309-R312 PolarHBondContact O-N 2.92Å; L309-R312 VanDerWaalsContact O-N 3.07Å; R312-A314 VanDerWaalsContact C-N 3.27Å; R312-A314 PolarHBondContact O-N 3.05Å; R312-R315 PolarHBondContact O-N 2.93Å
313S37.8Very low43.9Very low75 Ų75113.6 Ų113.652%0.52463%0.632SS.*Hα-helixtrans-66-27.4178.761.20000113.5L309 V310 R315 T316L309-S313 PolarHBondContact O-N 3.47Å; V310-S313 PolarHBondContact O-OG 3.45Å; S313-R315 PolarHBondContact O-N 2.84Å; S313-R315 VanDerWaalsContact O-N 3.12Å; S313-T316 PolarHBondContact O-N 3.36Å
314A36.8Very low41.1Very low86 Ų86114.1 Ų114.171%0.71165%0.646SS**THydrogen-bonded Turntrans-66.4-9.1178.200000115R312R312-A314 VanDerWaalsContact C-N 3.27Å; R312-A314 PolarHBondContact O-N 3.05Å
315R42.1Very low39.3Very low233 Ų233116.1 Ų116.188%0.87967%0.665SS**THydrogen-bonded Turntrans-105.5-8.5-178.7-138.8178.1-160.2167.46114.9R312 S313R312-R315 PolarHBondContact O-N 2.93Å; S313-R315 PolarHBondContact O-N 2.84Å; S313-R315 VanDerWaalsContact O-N 3.12Å
316T38.4Very low37.6Very low117 Ų117117.1 Ų117.172%0.71868%0.675SS**  trans-144.184.4178.747.90000110.7S313S313-T316 PolarHBondContact O-N 3.36Å
317S27.5Very low36.9Very low116 Ų116121.3 Ų121.381%0.81168%0.684SS**  trans-105.5100.7172.560.70000111.5
318S27.2Very low36.1Very low112 Ų112124.3 Ų124.378%0.78369%0.694SS**  trans-148.4118.5155.459.50000108.5
319P36.9Very low35.5Very low137 Ų137128.1 Ų128.189%0.8973%0.725SS**  trans-90.4122-17233.2-31.9000112.1
320A28.4Very low34.9Very low102 Ų102129.4 Ų129.484%0.84375%0.746SS**  trans-152.7139.7157.400000110.4
321E30.5Very low34.3Very low153 Ų153130.1 Ų130.172%0.71576%0.756SS**  trans-64.6168.8-167.6-52.5173.6101.200117.1
322K30.9Very low33.4Very low159 Ų159130 Ų13069%0.69177%0.774SS**  trans74.298.3150.3-70.8146.9-170.11570118.5
323S31.1Very low32.7Very low122 Ų122131 Ų13185%0.85379%0.79SS**  26.699.5127.5175.20000118
324C26.7Very low32.3Very low108 Ų108136.5 Ų136.573%0.7381%0.81SS**  trans-156153.2134.9-148.20000112.9
325S39.7Very low31.7Very low110 Ų110135.9 Ų135.977%0.76981%0.813SS**  trans-66.5125172.851.20000112.3
326V33.7Very low30.9Very low112 Ų112136.6 Ų136.668%0.67982%0.815SS**  trans-13884.1172.1-173.80000110.9
327W32.6Very low30.4Very low245 Ų245137.3 Ų137.393%0.92882%0.819SS**  trans-150.452.9155.3-75.3119.5000111.4
328H31.8Very low30.5Very low190 Ų190140.1 Ų140.188%0.8883%0.825SS**  trans-126.475.1162.6-79.4-48000109.4
329A33.3Very low30.4Very low96 Ų96143.1 Ų143.179%0.79383%0.826SS**  trans-144.225.6176.700000112.9
330A29.1Very low29.8Very low99 Ų99148 Ų14882%0.81883%0.826SS**  trans-148.451.2178.700000112.1
331S33.3Very low29.5Very low116 Ų116150.3 Ų150.381%0.81182%0.82SS**  trans-126.1123.4167.8-72.80000110.3
332G29.4Very low30.3Very low78 Ų78147.5 Ų147.580%0.80482%0.815SS**  trans92.394.3156.900000117.2
333L28.4Very low30.4Very low184 Ų184145.8 Ų145.896%0.96382%0.82SS**  trans-150.789.1134-166.266000110.5
334M29.5Very low30.2Very low191 Ų191144.7 Ų144.794%0.94182%0.819SS**  trans-109.3124.9166.2-147.8-170.4-166.300109.4
335G24.4Very low30.2Very low74 Ų74143.2 Ų143.276%0.76382%0.822SS**  trans79.3107.6154.500000118.5
336R26.2Very low29.5Very low247 Ų247145.2 Ų145.293%0.93282%0.823SS**  -152.9122.3123.5-163158.9170.9169.8-6111.9
337T27.3Very low29.3Very low132 Ų132148.3 Ų148.381%0.8183%0.831SS**  trans-69.3149.8172.837.10000112.5
338L29.9Very low29.1Very low176 Ų176145 Ų14592%0.92183%0.826SS**  trans-153.4140.4141-105.2178000111.8
339H25.9Very low28.9Very low175 Ų175139.3 Ų139.381%0.8182%0.818SS**  trans-59.5144.8179-108.7-72.8000114.8
340R22.9Very low28.7Very low238 Ų238141.7 Ų141.790%0.89882%0.823SS**  -164.2139.6122.4-160.767.9-172.6167.23.4111.5
341E23.5Very low28.8Very low152 Ų152141.3 Ų141.371%0.7182%0.82SS**  trans-126-178.3175.8-143.4-154.5135.100109.4
342P46.7Very low29Very low93 Ų93144.2 Ų144.260%0.60483%0.825SS**  -106.4-168.3-110.940.1-23.7000113.6
343P32.4Very low29.1Very low124 Ų124147.9 Ų147.981%0.80582%0.821SS**  -134.9137.6100.831-16.2000112.3
344A28.5Very low29.3Very low99 Ų99146.5 Ų146.582%0.81881%0.814SS**  82.3120.263.700000113.5
345G24.8Very low29.4Very low77 Ų77145.1 Ų145.179%0.79481%0.805SS**  trans169.395.7-177.400000110.9
346D26Very low29.8Very low151 Ų151147.4 Ų147.481%0.80781%0.805SS**  trans-79.6156.6-166.4-64.8-55.8000116.4
347Q30Very low30.1Very low178 Ų178141.1 Ų141.183%0.83280%0.798SS**  trans127.4145.7148.2-74.7162.5100.300113.1
348E28.1Very low30.7Very low176 Ų176141.2 Ų141.282%0.82279%0.793SS**  cis-157165.8-31.1-160.8155.317800106.1
349G27.9Very low31.6Very low70 Ų70137.4 Ų137.472%0.72278%0.779SS**  trans-65.4148.1-160.100000116.6
350T29.3Very low33Very low146 Ų146134.2 Ų134.290%0.89678%0.783SS**  trans-145.7140.8151.2-70.90000109.4
351A29.8Very low34.8Very low91 Ų91125.7 Ų125.775%0.75276%0.755SS**  trans-75.1162.1-163.100000115.2H353A351-H353 PolarHBondContact O-N 2.87Å
352L38.3Very low37.3Very low176 Ų176121.6 Ų121.692%0.92174%0.743SS**  trans-44.6119.2167.5-68152.3000112.2
353H31.3Very low38.6Very low155 Ų155124 Ų12472%0.71875%0.746SS**  trans-133.6102.5155.7-157.1148.1000109.3A351 Q355A351-H353 PolarHBondContact O-N 2.87Å; H353-Q355 VanDerWaalsContact C-N 3.27Å; H353-Q355 PolarHBondContact O-N 3.09Å
354L33.4Very low40.6Very low155 Ų155121 Ų12181%0.81273%0.732SS**  trans-67.685.4167.1-109.8140000108.6T356L354-T356 PolarHBondContact O-N 3.36Å
355Q30.3Very low42.9Very low162 Ų162117.6 Ų117.676%0.75770%0.7SS**  trans-73.797.1170.8-79.3-170.3-11.800109.5H353 S357H353-Q355 VanDerWaalsContact C-N 3.27Å; H353-Q355 PolarHBondContact O-N 3.09Å; Q355-S357 PolarHBondContact O-N 2.28Å
356T33.9Very low45.5Very low123 Ų123116.7 Ų116.776%0.75568%0.679SS**  trans-63.3100.2165-51.70000108.8L354 L358L354-T356 PolarHBondContact O-N 3.36Å; T356-L358 VanDerWaalsContact C-N 3.34Å; T356-L358 PolarHBondContact O-N 3.2Å
357S33Very low48.2Very low114 Ų114115.2 Ų115.280%0.79767%0.667SS**  trans-73.685.2176.442.20000111Q355Q355-S357 PolarHBondContact O-N 2.28Å
358L39.6Very low50.8Low135 Ų135111.4 Ų111.471%0.70765%0.65SS**  trans-67.7134168.4-154.279.8000109.4T356 L361T356-L358 VanDerWaalsContact C-N 3.34Å; T356-L358 PolarHBondContact O-N 3.2Å; L358-L361 HydrophobicContact CD2-CD1 4.42Å
359P49Very low53.4Low95 Ų95104 Ų10462%0.61762%0.615SS**  trans-63143.1175.4-21.333.3000111.4L361P359-L361 PolarHBondContact O-N 3.47Å
360A55.3Low56.1Low109 Ų109104.1 Ų104.190%0.90160%0.602SS**  trans-59.7110.6-174.700000112.7
361L60.7Low59Low58 Ų58101.8 Ų101.830%0.30458%0.581SS.*  trans-87.9155.3164.8-65.7170.4000109.3L122 L358 P359 T366L122-L361 HydrophobicContact CD1-CD2 4.31Å; L358-L361 HydrophobicContact CD2-CD1 4.42Å; P359-L361 PolarHBondContact O-N 3.47Å; L361-T366 HydrophobicContact CB-CG2 3.89Å; L361-T366 HydrophobicContact CD1-CG2 4.24Å
362S74.4Confident61.7Low66 Ų6697.7 Ų97.746%0.46255%0.547SS..  trans-69.2149172.7-170.60000110.6A364 D365 T366S362-A364 PolarHBondContact O-N 3.47Å; S362-D365 VanDerWaalsContact CB-CG 3.49Å; S362-D365 VanDerWaalsContact CB-OD2 3.25Å; S362-D365 WeakPolarHBondContact CB-OD2 3.38Å; S362-D365 PolarHBondContact N-OD2 3.17Å; S362-D365 VanDerWaalsContact N-OD2 3.08Å; S362-D365 PolarHBondContact O-N 2.84Å; S362-D365 VanDerWaalsContact O-N 3.13Å; S362-T366 PolarHBondContact O-N 2.09Å; S362-T366 VanDerWaalsContact O-N 3.14Å
363E75.3Confident64.1Low145 Ų14593.6 Ų93.668%0.67853%0.525SS*.Hα-helixtrans-62.1-30.1175.7-170.2177.2173.900111.9T366 Q367E363-T366 PolarHBondContact O-OG1 3.25Å; E363-T366 VanDerWaalsContact O-OG1 3.14Å; E363-Q367 WeakPolarHBondContact O-CG 3.45Å; E363-Q367 PolarHBondContact O-N 3.24Å
364A74.1Confident66.7Low61 Ų6194.8 Ų94.850%0.50452%0.523SS..Hα-helixtrans-63.8-47.5171.900000111.9S362 T366 Q367 E368S362-A364 PolarHBondContact O-N 3.47Å; A364-T366 VanDerWaalsContact C-N 3.32Å; A364-T366 PolarHBondContact O-N 2.88Å; A364-Q367 PolarHBondContact O-N 3.4Å; A364-E368 PolarHBondContact O-N 2.94Å
365D76.6Confident69.3Low26 Ų2693.5 Ų93.514%0.13951%0.508CS..Hα-helixtrans-60.6-42.3-179.4-46.2-19.7000111S362 Q367 E368 L369S362-D365 VanDerWaalsContact CB-CG 3.49Å; S362-D365 VanDerWaalsContact CB-OD2 3.25Å; S362-D365 WeakPolarHBondContact CB-OD2 3.38Å; S362-D365 PolarHBondContact N-OD2 3.17Å; S362-D365 VanDerWaalsContact N-OD2 3.08Å; S362-D365 PolarHBondContact O-N 2.84Å; S362-D365 VanDerWaalsContact O-N 3.13Å; D365-Q367 VanDerWaalsContact C-N 3.34Å; D365-Q367 PolarHBondContact O-N 2.92Å; D365-E368 PolarHBondContact O-N 3.24Å; D365-L369 WeakPolarHBondContact O-CB 3.44Å; D365-L369 WeakPolarHBondContact O-CD1 3.42Å; D365-L369 WeakPolarHBondContact O-CG 3.38Å; D365-L369 PolarHBondContact O-N 3.23Å
366T78.5Confident72.1Confident59 Ų5987.6 Ų87.636%0.36248%0.48SS..Hα-helixtrans-68.9-32.8-178.7650000112.4L361 S362 E363 A364 T370L361-T366 HydrophobicContact CB-CG2 3.89Å; L361-T366 HydrophobicContact CD1-CG2 4.24Å; S362-T366 PolarHBondContact O-N 2.09Å; S362-T366 VanDerWaalsContact O-N 3.14Å; E363-T366 PolarHBondContact O-OG1 3.25Å; E363-T366 VanDerWaalsContact O-OG1 3.14Å; A364-T366 VanDerWaalsContact C-N 3.32Å; A364-T366 PolarHBondContact O-N 2.88Å; T366-T370 WeakPolarHBondContact O-CB 3.41Å; T366-T370 PolarHBondContact O-N 2.74Å; T366-T370 PolarHBondContact O-OG1 3.33Å
367Q83Confident74.7Confident120 Ų12088.6 Ų88.656%0.56148%0.475SS*.Hα-helixtrans-68.3-43.9172.3-70.1179.620.500111.9E363 A364 D365 T370 Q371E363-Q367 WeakPolarHBondContact O-CG 3.45Å; E363-Q367 PolarHBondContact O-N 3.24Å; A364-Q367 PolarHBondContact O-N 3.4Å; D365-Q367 VanDerWaalsContact C-N 3.34Å; D365-Q367 PolarHBondContact O-N 2.92Å; Q367-T370 PolarHBondContact O-N 2.87Å; Q367-Q371 PolarHBondContact O-N 3.35Å
368E84.5Confident77.2Confident98 Ų9885 Ų8546%0.45846%0.455SS..Hα-helixtrans-64.5-47.1177.7-171.5173.2-179.300111.8T123 A364 D365 T370 Q371 I372T123-E368 VanDerWaalsContact CG2-CD 3.42Å; T123-E368 HydrophobicContact CG2-CG 3.91Å; T123-E368 WeakPolarHBondContact CG2-OE1 3.34Å; A364-E368 PolarHBondContact O-N 2.94Å; D365-E368 PolarHBondContact O-N 3.24Å; E368-T370 VanDerWaalsContact C-N 3.28Å; E368-T370 PolarHBondContact O-N 3.41Å; E368-Q371 WeakPolarHBondContact O-CB 3.42Å; E368-Q371 PolarHBondContact O-N 2.98Å; E368-I372 HydrophobicContact CG-CD1 4.1Å; E368-I372 WeakPolarHBondContact O-CG1 3.44Å; E368-I372 PolarHBondContact O-N 2.59Å
369L84.1Confident79.6Confident19 Ų1979.8 Ų79.810%0.09943%0.428CS..Hα-helixtrans-56.9-41.5174.1-70.6166.9000111.5M126 D365 Q371 I372 L373M126-L369 HydrophobicContact CB-CD2 4.19Å; M126-L369 HydrophobicContact CE-CD2 4.49Å; M126-L369 HydrophobicContact CG-CD2 3.93Å; M126-L369 HydrophobicContact SD-CD2 3.6Å; M126-L369 VanDerWaalsContact SD-CD2 3.6Å; D365-L369 WeakPolarHBondContact O-CB 3.44Å; D365-L369 WeakPolarHBondContact O-CD1 3.42Å; D365-L369 WeakPolarHBondContact O-CG 3.38Å; D365-L369 PolarHBondContact O-N 3.23Å; L369-Q371 VanDerWaalsContact C-N 3.32Å; L369-Q371 PolarHBondContact O-N 3.47Å; L369-I372 PolarHBondContact O-N 2.88Å; L369-L373 WeakPolarHBondContact O-CB 3.41Å; L369-L373 VanDerWaalsContact O-CG 3.29Å; L369-L373 WeakPolarHBondContact O-CG 3.23Å; L369-L373 PolarHBondContact O-N 2.92Å
370T84.7Confident81.4Confident74 Ų7477.4 Ų77.445%0.45442%0.416SS..Hα-helixtrans-63.6-37175.9-60.80000112.2T366 Q367 E368 R374T366-T370 WeakPolarHBondContact O-CB 3.41Å; T366-T370 PolarHBondContact O-N 2.74Å; T366-T370 PolarHBondContact O-OG1 3.33Å; Q367-T370 PolarHBondContact O-N 2.87Å; E368-T370 VanDerWaalsContact C-N 3.28Å; E368-T370 PolarHBondContact O-N 3.41Å; T370-R374 WeakPolarHBondContact O-CB 3.08Å; T370-R374 PolarHBondContact O-N 2.93Å; T370-R374 VanDerWaalsContact O-N 3.11Å
371Q88.8Confident82.9Confident96 Ų9676.7 Ų76.745%0.44940%0.396SS..Hα-helixtrans-69.4-43.3176.1-169.9178.320.500111.9Q367 E368 L369 R374 R375Q367-Q371 PolarHBondContact O-N 3.35Å; E368-Q371 WeakPolarHBondContact O-CB 3.42Å; E368-Q371 PolarHBondContact O-N 2.98Å; L369-Q371 VanDerWaalsContact C-N 3.32Å; L369-Q371 PolarHBondContact O-N 3.47Å; Q371-R374 PolarHBondContact O-N 2.72Å; Q371-R375 PolarHBondContact O-N 3.11Å
372I87.9Confident84.1Confident5 Ų579.7 Ų79.73%0.02641%0.409CS..Hα-helixtrans-61.4-47.4176.4-66.7166.7000110.3T123 M126 A127 Q130 E368 L369 R374 R375 M376T123-I372 HydrophobicContact CG2-CD1 3.91Å; M126-I372 HydrophobicContact CB-CD1 4.47Å; M126-I372 HydrophobicContact CB-CG2 3.84Å; A127-I372 HydrophobicContact CB-CD1 4.29Å; Q130-I372 HydrophobicContact CB-CG2 4.08Å; E368-I372 HydrophobicContact CG-CD1 4.1Å; E368-I372 WeakPolarHBondContact O-CG1 3.44Å; E368-I372 PolarHBondContact O-N 2.59Å; L369-I372 PolarHBondContact O-N 2.88Å; I372-R374 VanDerWaalsContact C-N 3.31Å; I372-R374 PolarHBondContact O-N 3.25Å; I372-R375 PolarHBondContact O-N 3.19Å; I372-R375 VanDerWaalsContact O-N 3.13Å; I372-M376 HydrophobicContact CG2-CG 4.3Å; I372-M376 HydrophobicContact CG2-SD 4.13Å; I372-M376 WeakPolarHBondContact O-CG 3.44Å; I372-M376 PolarHBondContact O-N 3.11Å
373L86.9Confident84.9Confident90 Ų9077 Ų7747%0.47139%0.391SS..Hα-helixtrans-59.6-39176.8-73.7170.5000112.5M126 L369 M376 K377M126-L373 HydrophobicContact CE-CD1 4.48Å; M126-L373 HydrophobicContact CE-CD2 4.1Å; M126-L373 HydrophobicContact CE-CG 4.46Å; M126-L373 HydrophobicContact SD-CD1 4.39Å; M126-L373 HydrophobicContact SD-CD2 3.91Å; M126-L373 HydrophobicContact SD-CG 3.94Å; L369-L373 WeakPolarHBondContact O-CB 3.41Å; L369-L373 VanDerWaalsContact O-CG 3.29Å; L369-L373 WeakPolarHBondContact O-CG 3.23Å; L369-L373 PolarHBondContact O-N 2.92Å; L373-M376 PolarHBondContact O-N 3.31Å; L373-K377 WeakPolarHBondContact O-CB 3.18Å; L373-K377 PolarHBondContact O-N 3.14Å
374R87.3Confident85.2Confident181 Ų18175.4 Ų75.468%0.68338%0.383SS*.Hα-helixtrans-64.5-40.2175.5-169.5-178.7-62.2154.73.8112.1T370 Q371 I372 G378T370-R374 WeakPolarHBondContact O-CB 3.08Å; T370-R374 PolarHBondContact O-N 2.93Å; T370-R374 VanDerWaalsContact O-N 3.11Å; Q371-R374 PolarHBondContact O-N 2.72Å; I372-R374 VanDerWaalsContact C-N 3.31Å; I372-R374 PolarHBondContact O-N 3.25Å; R374-G378 PolarHBondContact O-N 3.06Å
375R88Confident85.7Confident128 Ų12875.6 Ų75.648%0.48338%0.381SS..Hα-helixtrans-66.8-47175-72.4177.8174.9155.5-3.7111.8Q130 Q371 I372 K377 G378 L379Q130-R375 HydrophobicContact CG-CB 4.39Å; Q371-R375 PolarHBondContact O-N 3.11Å; I372-R375 PolarHBondContact O-N 3.19Å; I372-R375 VanDerWaalsContact O-N 3.13Å; R375-K377 VanDerWaalsContact C-N 3.29Å; R375-K377 PolarHBondContact O-N 2.95Å; R375-G378 PolarHBondContact O-N 2.84Å; R375-L379 WeakPolarHBondContact O-CG 3.11Å; R375-L379 PolarHBondContact O-N 3.35Å
376M89.5Confident86.3Confident37 Ų3775.6 Ų75.618%0.18238%0.38CS..Hα-helixtrans-57.8-40.6175.8-73-173.368.900112Q130 L133 I372 L373 L379 A380Q130-M376 HydrophobicContact CB-CG 3.71Å; Q130-M376 HydrophobicContact CB-SD 4.21Å; Q130-M376 HydrophobicContact CG-CG 3.92Å; L133-M376 HydrophobicContact CD2-CB 4.29Å; L133-M376 HydrophobicContact CD2-CE 4.48Å; L133-M376 WeakPolarHBondContact CD2-O 3.31Å; I372-M376 HydrophobicContact CG2-CG 4.3Å; I372-M376 HydrophobicContact CG2-SD 4.13Å; I372-M376 WeakPolarHBondContact O-CG 3.44Å; I372-M376 PolarHBondContact O-N 3.11Å; L373-M376 PolarHBondContact O-N 3.31Å; M376-L379 PolarHBondContact O-N 2.94Å; M376-A380 VanDerWaalsContact O-CB 3.31Å; M376-A380 WeakPolarHBondContact O-CB 3.27Å; M376-A380 PolarHBondContact O-N 2.84Å
377K86.7Confident86.9Confident145 Ų14577.1 Ų77.163%0.6339%0.386SS*.Hα-helixtrans-61.4-42.8173.8-177.7177.2177.2179.20112.2L373 R375 A380 L381L373-K377 WeakPolarHBondContact O-CB 3.18Å; L373-K377 PolarHBondContact O-N 3.14Å; R375-K377 VanDerWaalsContact C-N 3.29Å; R375-K377 PolarHBondContact O-N 2.95Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-L381 HydrophobicContact CG-CD1 4.23Å; K377-L381 WeakPolarHBondContact O-CG 3.42Å; K377-L381 PolarHBondContact O-N 2.97Å; K377-L381 VanDerWaalsContact O-N 3.16Å
378G86.2Confident87Confident37 Ų3777.4 Ų77.438%0.38139%0.387SS..Hα-helixtrans-60.6-49.9176.600000112.2R374 R375 A380 L381 E382R374-G378 PolarHBondContact O-N 3.06Å; R375-G378 PolarHBondContact O-N 2.84Å; G378-A380 VanDerWaalsContact C-N 3.32Å; G378-A380 PolarHBondContact O-N 3.49Å; G378-L381 PolarHBondContact O-N 2.84Å; G378-E382 PolarHBondContact O-N 2.94Å
379L89.7Confident87.3Confident27 Ų2776.5 Ų76.514%0.14138%0.379CS..Hα-helixtrans-63.6-34.7178.6-66.7161.5000113.1Q130 L133 E134 R375 M376 A383Q130-L379 HydrophobicContact CG-CD1 4.03Å; L133-L379 HydrophobicContact CD2-CB 3.78Å; L133-L379 HydrophobicContact CG-CB 3.9Å; E134-L379 HydrophobicContact CG-CD1 3.4Å; E134-L379 VanDerWaalsContact CG-CD1 3.4Å; E134-L379 HydrophobicContact CG-CD2 3.93Å; E134-L379 HydrophobicContact CG-CG 4.32Å; R375-L379 WeakPolarHBondContact O-CG 3.11Å; R375-L379 PolarHBondContact O-N 3.35Å; M376-L379 PolarHBondContact O-N 2.94Å; L379-A383 VanDerWaalsContact O-CB 3.29Å; L379-A383 WeakPolarHBondContact O-CB 3.19Å; L379-A383 PolarHBondContact O-N 2.79Å
380A87Confident87.6Confident44 Ų4476.4 Ų76.436%0.36438%0.378SS..Hα-helixtrans-66.3-43.3176.200000111.7L133 M376 K377 G378 A383 E384L133-A380 HydrophobicContact CD2-CB 4.33Å; M376-A380 VanDerWaalsContact O-CB 3.31Å; M376-A380 WeakPolarHBondContact O-CB 3.27Å; M376-A380 PolarHBondContact O-N 2.84Å; K377-A380 PolarHBondContact O-N 3.16Å; G378-A380 VanDerWaalsContact C-N 3.32Å; G378-A380 PolarHBondContact O-N 3.49Å; A380-A383 PolarHBondContact O-N 2.87Å; A380-E384 WeakPolarHBondContact O-CB 3.12Å; A380-E384 PolarHBondContact O-N 3.31Å
381L87.4Confident87.8Confident94 Ų9478.1 Ų78.149%0.49239%0.385SS..Hα-helixtrans-67-38.1176.3-67.9168.8000112K377 G378 E384 S385K377-L381 HydrophobicContact CG-CD1 4.23Å; K377-L381 WeakPolarHBondContact O-CG 3.42Å; K377-L381 PolarHBondContact O-N 2.97Å; K377-L381 VanDerWaalsContact O-N 3.16Å; G378-L381 PolarHBondContact O-N 2.84Å; L381-E384 PolarHBondContact O-N 2.85Å; L381-S385 PolarHBondContact O-N 3.02Å; L381-S385 PolarHBondContact O-OG 2.99Å
382E86.8Confident87.6Confident121 Ų12180.7 Ų80.757%0.56540%0.397SS*.Hα-helixtrans-63.4-46.7174.2-173.6176.2-174.500111.1G378 E384 S385 E386G378-E382 PolarHBondContact O-N 2.94Å; E382-E384 PolarHBondContact O-N 3.35Å; E382-S385 PolarHBondContact O-N 2.92Å; E382-S385 PolarHBondContact O-OG 3.45Å; E382-E386 PolarHBondContact O-N 3.37Å
383A89.4Confident87.4Confident11 Ų1181.1 Ų81.19%0.09140%0.401CS..Hα-helixtrans-63.6-37.5175.900000113.2L140 L379 A380 L387L140-A383 HydrophobicContact CD1-CB 3.78Å; L379-A383 VanDerWaalsContact O-CB 3.29Å; L379-A383 WeakPolarHBondContact O-CB 3.19Å; L379-A383 PolarHBondContact O-N 2.79Å; A380-A383 PolarHBondContact O-N 2.87Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 VanDerWaalsContact O-CG 3.27Å; A383-L387 WeakPolarHBondContact O-CG 3.47Å; A383-L387 PolarHBondContact O-N 2.71Å
384E82.2Confident87.6Confident110 Ų11080.8 Ų80.851%0.51440%0.4SS..Hα-helixtrans-61.4-49.5173.4-174.1169.3-152.600110.6A380 L381 E382 E386 L387 E388A380-E384 WeakPolarHBondContact O-CB 3.12Å; A380-E384 PolarHBondContact O-N 3.31Å; L381-E384 PolarHBondContact O-N 2.85Å; E382-E384 PolarHBondContact O-N 3.35Å; E384-E386 PolarHBondContact O-N 3.06Å; E384-L387 WeakPolarHBondContact O-CB 3.23Å; E384-L387 PolarHBondContact O-N 3.36Å; E384-E388 PolarHBondContact O-N 3.12Å
385S85.4Confident87.6Confident65 Ų6577.8 Ų77.846%0.45540%0.397SS..Hα-helixtrans-65.5-34178.766.90000114.5L381 E382 R389L381-S385 PolarHBondContact O-N 3.02Å; L381-S385 PolarHBondContact O-OG 2.99Å; E382-S385 PolarHBondContact O-N 2.92Å; E382-S385 PolarHBondContact O-OG 3.45Å; S385-R389 PolarHBondContact O-N 3.43Å; S385-R389 VanDerWaalsContact O-N 3.12Å
386E89.1Confident87.4Confident27 Ų2773 Ų7313%0.12639%0.387CS..Hα-helixtrans-75.6-28.5175178.759.2-156.200111.7L140 G144 E382 E384 R389 Q390L140-E386 HydrophobicContact CB-CG 4.4Å; G144-E386 WeakPolarHBondContact CA-OE1 3.45Å; E382-E386 PolarHBondContact O-N 3.37Å; E384-E386 PolarHBondContact O-N 3.06Å; E386-R389 IonicContact OE1-CZ 3.23Å; E386-R389 IonicContact OE1-NE 3.72Å; E386-R389 PolarHBondContact OE1-NE 2.65Å; E386-R389 IonicContact OE1-NH2 3.35Å; E386-R389 PolarHBondContact OE1-NH2 2.99Å; E386-R389 IonicContact OE2-CZ 2.76Å; E386-R389 IonicContact OE2-NE 2.84Å; E386-R389 PolarHBondContact OE2-NE 3.06Å; E386-R389 IonicContact OE2-NH2 3.3Å; E386-Q390 VanDerWaalsContact O-CG 3.26Å; E386-Q390 WeakPolarHBondContact O-CG 3.32Å; E386-Q390 PolarHBondContact O-N 2.9Å; E386-Q390 PolarHBondContact OE1-NE2 3.26Å
387L89.9Confident87.4Confident90 Ų9072.2 Ų72.247%0.47138%0.384SS..Hα-helixtrans-68.3-45.2171.2-78.6168.4000111.7L140 A383 E384 R389 Q390 D391L140-L387 HydrophobicContact CD1-CD1 4.41Å; L140-L387 HydrophobicContact CD1-CG 4.22Å; L140-L387 HydrophobicContact CD2-CD2 3.67Å; L140-L387 HydrophobicContact CD2-CG 4.21Å; A383-L387 WeakPolarHBondContact O-CB 3.3Å; A383-L387 VanDerWaalsContact O-CG 3.27Å; A383-L387 WeakPolarHBondContact O-CG 3.47Å; A383-L387 PolarHBondContact O-N 2.71Å; E384-L387 WeakPolarHBondContact O-CB 3.23Å; E384-L387 PolarHBondContact O-N 3.36Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 2.84Å; L387-Q390 PolarHBondContact O-N 3.26Å; L387-Q390 VanDerWaalsContact O-N 3.12Å; L387-D391 PolarHBondContact O-N 3.29Å
388E85.3Confident87.5Confident126 Ų12667.8 Ų67.859%0.58938%0.375SS*.Hα-helixtrans-57-45.9173.6-70.4-179.3156.900111.1E384 Q390 D391 E392E384-E388 PolarHBondContact O-N 3.12Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 2.78Å; E388-D391 PolarHBondContact O-N 3.27Å; E388-E392 PolarHBondContact O-N 2.8Å; E388-E392 VanDerWaalsContact O-N 3.13Å
389R91.6Very high87.5Confident79 Ų7968.4 Ų68.430%0.29838%0.377SS..Hα-helixtrans-59.7-36.7175.6-165.8-169.676.486.3-6113G144 D148 S385 E386 L387 A393G144-R389 VanDerWaalsContact CA-NH2 3.32Å; D148-R389 IonicContact OD1-CZ 2.75Å; D148-R389 IonicContact OD1-NH1 3.51Å; D148-R389 PolarHBondContact OD1-NH1 3.35Å; D148-R389 IonicContact OD1-NH2 2.66Å; D148-R389 IonicContact OD2-CZ 3.8Å; D148-R389 IonicContact OD2-NH1 3.73Å; D148-R389 PolarHBondContact OD2-NH1 3.09Å; D148-R389 IonicContact OD2-NH2 3.57Å; D148-R389 PolarHBondContact OD2-NH2 3.42Å; S385-R389 PolarHBondContact O-N 3.43Å; S385-R389 VanDerWaalsContact O-N 3.12Å; E386-R389 IonicContact OE1-CZ 3.23Å; E386-R389 IonicContact OE1-NE 3.72Å; E386-R389 PolarHBondContact OE1-NE 2.65Å; E386-R389 IonicContact OE1-NH2 3.35Å; E386-R389 PolarHBondContact OE1-NH2 2.99Å; E386-R389 IonicContact OE2-CZ 2.76Å; E386-R389 IonicContact OE2-NE 2.84Å; E386-R389 PolarHBondContact OE2-NE 3.06Å; E386-R389 IonicContact OE2-NH2 3.3Å; L387-R389 VanDerWaalsContact C-N 3.32Å; L387-R389 PolarHBondContact O-N 2.84Å; R389-A393 WeakPolarHBondContact O-CB 3.49Å; R389-A393 PolarHBondContact O-N 3.11Å; R389-A393 VanDerWaalsContact O-N 3.08Å
390Q90.8Very high87.4Confident17 Ų1767.4 Ų67.48%0.07937%0.372CS..Hα-helixtrans-74.7-32.5178.9-74.7179.436.200112.8L140 G144 L147 E386 L387 E388 A393 L394L140-Q390 PolarHBondContact O-NE2 2.86Å; G144-Q390 VanDerWaalsContact N-NE2 3.1Å; L147-Q390 HydrophobicContact CD1-CB 3.9Å; L147-Q390 HydrophobicContact CD1-CG 3.83Å; E386-Q390 VanDerWaalsContact O-CG 3.26Å; E386-Q390 WeakPolarHBondContact O-CG 3.32Å; E386-Q390 PolarHBondContact O-N 2.9Å; E386-Q390 PolarHBondContact OE1-NE2 3.26Å; L387-Q390 PolarHBondContact O-N 3.26Å; L387-Q390 VanDerWaalsContact O-N 3.12Å; E388-Q390 VanDerWaalsContact C-N 3.29Å; E388-Q390 PolarHBondContact O-N 2.78Å; Q390-A393 PolarHBondContact O-N 2.72Å; Q390-L394 WeakPolarHBondContact O-CB 3.46Å; Q390-L394 VanDerWaalsContact O-CG 3.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.13Å; Q390-L394 PolarHBondContact O-N 3.03Å
391D87.1Confident87.6Confident110 Ų11068.2 Ų68.259%0.58837%0.372SS*.Hα-helixtrans-64.3-49.3174.1-151.850.1000110.3L387 E388 A393 L394 D395L387-D391 PolarHBondContact O-N 3.29Å; E388-D391 PolarHBondContact O-N 3.27Å; D391-A393 VanDerWaalsContact C-N 3.3Å; D391-A393 PolarHBondContact O-N 2.84Å; D391-L394 WeakPolarHBondContact O-CB 3.5Å; D391-L394 PolarHBondContact O-N 3.08Å; D391-L394 VanDerWaalsContact O-N 3.11Å; D391-D395 PolarHBondContact O-N 2.95Å
392E84.4Confident87.7Confident151 Ų15168.8 Ų68.871%0.70638%0.376SS*.Hα-helixtrans-57.7-40.3173-68.1-174.9170.100112.5E388 G396E388-E392 PolarHBondContact O-N 2.8Å; E388-E392 VanDerWaalsContact O-N 3.13Å; E392-G396 PolarHBondContact O-N 3.01Å
393A85.1Confident87.8Confident14 Ų1468.3 Ų68.312%0.11637%0.369CS..Hα-helixtrans-69-34.8177.300000112.8M151 R389 Q390 D391 G396 V397M151-A393 VanDerWaalsContact CE-O 3.32Å; M151-A393 WeakPolarHBondContact CE-O 3.49Å; R389-A393 WeakPolarHBondContact O-CB 3.49Å; R389-A393 PolarHBondContact O-N 3.11Å; R389-A393 VanDerWaalsContact O-N 3.08Å; Q390-A393 PolarHBondContact O-N 2.72Å; D391-A393 VanDerWaalsContact C-N 3.3Å; D391-A393 PolarHBondContact O-N 2.84Å; A393-G396 PolarHBondContact O-N 2.93Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.31Å
394L91Very high87.8Confident83 Ų8368.1 Ų68.144%0.43537%0.367SS..Hα-helixtrans-67.8-41.2176.6-79.9167.1000111.8L147 Q390 D391 G396 V397 A398L147-L394 HydrophobicContact CD1-CD2 4.39Å; L147-L394 HydrophobicContact CD1-CG 4.14Å; L147-L394 HydrophobicContact CD2-CD2 3.64Å; L147-L394 HydrophobicContact CD2-CG 4.22Å; Q390-L394 WeakPolarHBondContact O-CB 3.46Å; Q390-L394 VanDerWaalsContact O-CG 3.24Å; Q390-L394 WeakPolarHBondContact O-CG 3.13Å; Q390-L394 PolarHBondContact O-N 3.03Å; D391-L394 WeakPolarHBondContact O-CB 3.5Å; D391-L394 PolarHBondContact O-N 3.08Å; D391-L394 VanDerWaalsContact O-N 3.11Å; L394-G396 VanDerWaalsContact C-N 3.33Å; L394-G396 PolarHBondContact O-N 3.03Å; L394-V397 PolarHBondContact O-N 3.46Å; L394-A398 PolarHBondContact O-N 2.88Å
395D86.9Confident88.2Confident117 Ų11766.5 Ų66.563%0.62637%0.365SS*.Hα-helixtrans-60-43.6172.7-89.7-8.6000111.5D391 V397 A398 A399D391-D395 PolarHBondContact O-N 2.95Å; D395-V397 PolarHBondContact O-N 3.33Å; D395-A398 PolarHBondContact O-N 2.86Å; D395-A399 WeakPolarHBondContact O-CB 3.29Å; D395-A399 PolarHBondContact O-N 3.48Å
396G84.1Confident88.4Confident27 Ų2769.5 Ų69.528%0.27838%0.375SS..Hα-helixtrans-61.4-41.5173.700000113.1E392 A393 L394 A399 A400E392-G396 PolarHBondContact O-N 3.01Å; A393-G396 PolarHBondContact O-N 2.93Å; L394-G396 VanDerWaalsContact C-N 3.33Å; L394-G396 PolarHBondContact O-N 3.03Å; G396-A399 PolarHBondContact O-N 3.1Å; G396-A400 WeakPolarHBondContact O-CB 3.11Å; G396-A400 PolarHBondContact O-N 2.85Å
397V89Confident88.3Confident21 Ų2170.2 Ų70.213%0.12738%0.382CS..Hα-helixtrans-63.3-44.8175.5161.70000110.9V150 M151 L154 A393 L394 D395 A400 V401V150-V397 HydrophobicContact CG1-CG1 4.25Å; V150-V397 HydrophobicContact CG1-CG2 4.21Å; M151-V397 HydrophobicContact CE-CG2 3.8Å; M151-V397 HydrophobicContact SD-CG2 4.02Å; L154-V397 HydrophobicContact CD1-CB 4.32Å; L154-V397 HydrophobicContact CD1-CG1 3.89Å; L154-V397 HydrophobicContact CD1-CG2 4.24Å; A393-V397 WeakPolarHBondContact O-CG2 3.34Å; A393-V397 PolarHBondContact O-N 3.31Å; L394-V397 PolarHBondContact O-N 3.46Å; D395-V397 PolarHBondContact O-N 3.33Å; V397-A400 PolarHBondContact O-N 2.84Å; V397-V401 HydrophobicContact CG1-CG2 4.41Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.08Å
398A88.2Confident88.3Confident52 Ų5269 Ų6943%0.4338%0.375SS..Hα-helixtrans-60.3-48.5177.400000111.3L394 D395 A400 V401 D402L394-A398 PolarHBondContact O-N 2.88Å; D395-A398 PolarHBondContact O-N 2.86Å; A398-A400 VanDerWaalsContact C-N 3.3Å; A398-A400 PolarHBondContact O-N 2.84Å; A398-V401 PolarHBondContact O-N 3.36Å; A398-D402 PolarHBondContact O-N 3.34Å
399A87.4Confident88.5Confident51 Ų5166.4 Ų66.442%0.42137%0.365SS..Hα-helixtrans-63.1-32.617700000113.3D395 G396 R403D395-A399 WeakPolarHBondContact O-CB 3.29Å; D395-A399 PolarHBondContact O-N 3.48Å; G396-A399 PolarHBondContact O-N 3.1Å; A399-R403 VanDerWaalsContact O-CG 3.29Å; A399-R403 WeakPolarHBondContact O-CG 3.33Å; A399-R403 PolarHBondContact O-N 2.95Å; A399-R403 PolarHBondContact O-NE 2.72Å
400A87Confident88.4Confident5 Ų567.2 Ų67.24%0.04137%0.371CS..Hα-helixtrans-72.2-41.6173.700000112.5L154 G396 V397 A398 R403 A404L154-A400 HydrophobicContact CB-CB 4.1Å; L154-A400 HydrophobicContact CD1-CB 4.07Å; G396-A400 WeakPolarHBondContact O-CB 3.11Å; G396-A400 PolarHBondContact O-N 2.85Å; V397-A400 PolarHBondContact O-N 2.84Å; A398-A400 VanDerWaalsContact C-N 3.3Å; A398-A400 PolarHBondContact O-N 2.84Å; A400-R403 PolarHBondContact O-N 3.19Å; A400-A404 WeakPolarHBondContact O-CB 3.33Å; A400-A404 PolarHBondContact O-N 3.38Å
401V91.8Very high88.2Confident61 Ų6167.1 Ų67.137%0.3737%0.371SS..Hα-helixtrans-63.1-42.1176.2169.30000111.6L154 V397 A398 A404 T405L154-V401 HydrophobicContact CD1-CG2 3.83Å; L154-V401 HydrophobicContact CD2-CG2 3.81Å; V397-V401 HydrophobicContact CG1-CG2 4.41Å; V397-V401 WeakPolarHBondContact O-CG2 3.38Å; V397-V401 PolarHBondContact O-N 3.08Å; A398-V401 PolarHBondContact O-N 3.36Å; V401-A404 PolarHBondContact O-N 3.39Å; V401-T405 VanDerWaalsContact O-CB 3.31Å; V401-T405 WeakPolarHBondContact O-CB 3.3Å; V401-T405 PolarHBondContact O-N 3.02Å; V401-T405 PolarHBondContact O-OG1 3.22Å
402D90.1Very high88.1Confident107 Ų10765 Ų6557%0.57236%0.359SS*.Hα-helixtrans-63.6-44.9176.6-82.1-13.9000111.7A398 T405 L406A398-D402 PolarHBondContact O-N 3.34Å; D402-T405 PolarHBondContact O-N 2.99Å; D402-L406 WeakPolarHBondContact O-CG 3.38Å; D402-L406 PolarHBondContact O-N 2.71Å
403R88.3Confident88.2Confident110 Ų11065.4 Ų65.442%0.41535%0.354SS..Hα-helixtrans-60.2-46.1174.9-75.8-177.3-64.8137.3-3112.4E158 A399 A400 T407E158-R403 IonicContact OE1-CZ 2.75Å; E158-R403 IonicContact OE1-NH1 3.19Å; E158-R403 PolarHBondContact OE1-NH1 3.28Å; E158-R403 IonicContact OE2-CZ 3.57Å; E158-R403 IonicContact OE2-NH1 3.68Å; E158-R403 PolarHBondContact OE2-NH1 3.33Å; E158-R403 IonicContact OE2-NH2 3.85Å; A399-R403 VanDerWaalsContact O-CG 3.29Å; A399-R403 WeakPolarHBondContact O-CG 3.33Å; A399-R403 PolarHBondContact O-N 2.95Å; A399-R403 PolarHBondContact O-NE 2.72Å; A400-R403 PolarHBondContact O-N 3.19Å; R403-T407 WeakPolarHBondContact O-CB 3.44Å; R403-T407 PolarHBondContact O-N 3.43Å; R403-T407 VanDerWaalsContact O-N 3.08Å; R403-T407 PolarHBondContact O-OG1 3.34Å
404A88.4Confident88.1Confident7 Ų765.8 Ų65.86%0.05835%0.353CS..Hα-helixtrans-62.4-44.2177.100000111.3M157 L161 A400 V401 T407 I408M157-A404 HydrophobicContact SD-CB 4.32Å; L161-A404 HydrophobicContact CD1-CB 4.14Å; A400-A404 WeakPolarHBondContact O-CB 3.33Å; A400-A404 PolarHBondContact O-N 3.38Å; V401-A404 PolarHBondContact O-N 3.39Å; A404-T407 PolarHBondContact O-N 2.9Å; A404-I408 WeakPolarHBondContact O-CB 3.4Å; A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 3.14Å
405T90.3Very high87.7Confident77 Ų7766.5 Ų66.547%0.47236%0.355SS..Hα-helixtrans-61.4-49.4179.1-58.80000111.6V401 D402 T407 I408 D409V401-T405 VanDerWaalsContact O-CB 3.31Å; V401-T405 WeakPolarHBondContact O-CB 3.3Å; V401-T405 PolarHBondContact O-N 3.02Å; V401-T405 PolarHBondContact O-OG1 3.22Å; D402-T405 PolarHBondContact O-N 2.99Å; T405-T407 VanDerWaalsContact C-N 3.26Å; T405-T407 PolarHBondContact O-N 2.89Å; T405-I408 PolarHBondContact O-N 3.35Å; T405-D409 WeakPolarHBondContact O-CB 3.46Å; T405-D409 PolarHBondContact O-N 2.88Å
406L90Very high87.3Confident127 Ų12768.8 Ų68.867%0.66536%0.359SS*.Hα-helixtrans-59.2-37.4176.3-70.9171.6000112.5D402 D409 K410D402-L406 WeakPolarHBondContact O-CG 3.38Å; D402-L406 PolarHBondContact O-N 2.71Å; L406-D409 PolarHBondContact O-N 2.92Å; L406-K410 WeakPolarHBondContact O-CB 3.29Å; L406-K410 PolarHBondContact O-N 3.33Å
407T88.1Confident86.9Confident42 Ų4277.2 Ų77.226%0.25838%0.383SS..Hα-helixtrans-71.9-43.5179.6-58.60000111.9L161 R403 A404 T405 D409 K410 H411L161-T407 HydrophobicContact CB-CG2 3.97Å; L161-T407 HydrophobicContact CD1-CG2 4.27Å; R403-T407 WeakPolarHBondContact O-CB 3.44Å; R403-T407 PolarHBondContact O-N 3.43Å; R403-T407 VanDerWaalsContact O-N 3.08Å; R403-T407 PolarHBondContact O-OG1 3.34Å; A404-T407 PolarHBondContact O-N 2.9Å; T405-T407 VanDerWaalsContact C-N 3.26Å; T405-T407 PolarHBondContact O-N 2.89Å; T407-D409 VanDerWaalsContact C-N 3.29Å; T407-D409 PolarHBondContact O-N 2.87Å; T407-K410 WeakPolarHBondContact O-CB 3.41Å; T407-K410 PolarHBondContact O-N 3.39Å; T407-H411 WeakPolarHBondContact CG2-CE1 3.38Å; T407-H411 VanDerWaalsContact O-CG 3.28Å; T407-H411 PolarHBondContact O-N 2.9Å
408I89.5Confident85.7Confident65 Ų6580.1 Ų80.133%0.33340%0.397SS..Hα-helixtrans-58.9-42.4171.7-71.2163.1000110.7L161 A404 T405 H411 N412L161-I408 HydrophobicContact CD1-CD1 4.24Å; L161-I408 HydrophobicContact CD1-CG1 3.87Å; L161-I408 HydrophobicContact CD2-CG1 3.61Å; L161-I408 HydrophobicContact CG-CG1 4.4Å; A404-I408 WeakPolarHBondContact O-CB 3.4Å; A404-I408 VanDerWaalsContact O-CG1 3.3Å; A404-I408 WeakPolarHBondContact O-CG1 3.49Å; A404-I408 PolarHBondContact O-N 3.14Å; T405-I408 PolarHBondContact O-N 3.35Å; I408-H411 PolarHBondContact O-N 2.83Å; I408-N412 WeakPolarHBondContact O-CB 3.37Å; I408-N412 PolarHBondContact O-N 2.87Å; I408-N412 PolarHBondContact O-ND2 3.12Å
409D88.9Confident84Confident71 Ų7185.5 Ų85.538%0.3843%0.425SS..Hα-helixtrans-66.2-38.6178.8-128.439.1000112.2T405 L406 T407 R413T405-D409 WeakPolarHBondContact O-CB 3.46Å; T405-D409 PolarHBondContact O-N 2.88Å; L406-D409 PolarHBondContact O-N 2.92Å; T407-D409 VanDerWaalsContact C-N 3.29Å; T407-D409 PolarHBondContact O-N 2.87Å; D409-R413 VanDerWaalsContact O-CG 3.23Å; D409-R413 WeakPolarHBondContact O-CG 3.39Å; D409-R413 PolarHBondContact O-N 3.13Å; D409-R413 VanDerWaalsContact O-N 3.08Å; D409-R413 IonicContact OD2-CZ 2.73Å; D409-R413 IonicContact OD2-NE 3.58Å; D409-R413 IonicContact OD2-NH2 3.64Å; D409-R413 PolarHBondContact OD2-NH2 2.86Å
410K89Confident83.9Confident97 Ų9787.2 Ų87.242%0.42243%0.425SS..Hα-helixtrans-59.1-49.4170179-158.9178.5-156.90110.6D165 L406 T407 R413 R414D165-K410 WeakPolarHBondContact OD1-CE 3.44Å; D165-K410 IonicContact OD1-NZ 2.8Å; D165-K410 PolarHBondContact OD1-NZ 3.13Å; D165-K410 IonicContact OD2-NZ 3.65Å; D165-K410 PolarHBondContact OD2-NZ 2.91Å; L406-K410 WeakPolarHBondContact O-CB 3.29Å; L406-K410 PolarHBondContact O-N 3.33Å; T407-K410 WeakPolarHBondContact O-CB 3.41Å; T407-K410 PolarHBondContact O-N 3.39Å; K410-R413 PolarHBondContact O-N 3.38Å; K410-R414 WeakPolarHBondContact O-CG 3.5Å; K410-R414 PolarHBondContact O-N 3.11Å
411H86.8Confident83.7Confident15 Ų1591.5 Ų91.57%0.06945%0.445CS..Hα-helixtrans-63.3-44.3179.8-64.9164.7000112.7L161 D165 L168 T407 I408 R413 R414 M415L161-H411 WeakPolarHBondContact CA-CE1 3.41Å; L161-H411 WeakPolarHBondContact CB-CE1 3.35Å; L161-H411 PolarHBondContact O-CE1 3.38Å; D165-H411 WeakPolarHBondContact CA-NE2 3.42Å; D165-H411 WeakPolarHBondContact CB-NE2 3.38Å; D165-H411 IonicContact OD1-CD2 2.8Å; D165-H411 PolarHBondContact OD1-CD2 3.28Å; D165-H411 VanDerWaalsContact OD1-CD2 3.24Å; D165-H411 IonicContact OD1-NE2 3.25Å; D165-H411 PolarHBondContact OD1-NE2 2.88Å; D165-H411 IonicContact OD2-NE2 2.84Å; L168-H411 HydrophobicContact CD1-CB 3.71Å; T407-H411 WeakPolarHBondContact CG2-CE1 3.38Å; T407-H411 VanDerWaalsContact O-CG 3.28Å; T407-H411 PolarHBondContact O-N 2.9Å; I408-H411 PolarHBondContact O-N 2.83Å; H411-R413 VanDerWaalsContact C-N 3.29Å; H411-R413 PolarHBondContact O-N 3.06Å; H411-R414 PolarHBondContact O-N 2.99Å; H411-R414 VanDerWaalsContact O-N 3.14Å; H411-M415 WeakPolarHBondContact O-CB 3.39Å; H411-M415 PolarHBondContact O-N 3.07Å
412N86.3Confident83.3Confident65 Ų6593.2 Ų93.235%0.34845%0.449SS..Hα-helixtrans-59.1-38.5174.7-82-38.9000112.4I408 K416I408-N412 WeakPolarHBondContact O-CB 3.37Å; I408-N412 PolarHBondContact O-N 2.87Å; I408-N412 PolarHBondContact O-ND2 3.12Å; N412-K416 WeakPolarHBondContact O-CB 3.23Å; N412-K416 VanDerWaalsContact O-CG 3.29Å; N412-K416 WeakPolarHBondContact O-CG 3.18Å; N412-K416 PolarHBondContact O-N 3.13Å; N412-K416 VanDerWaalsContact O-N 3.12Å
413R85.9Confident82.9Confident159 Ų15992.4 Ų92.460%0.644%0.442SS*.Hα-helixtrans-70.8-34.9175.1-69170.3-160.5-170.38.8112.9D409 K410 H411 R417D409-R413 VanDerWaalsContact O-CG 3.23Å; D409-R413 WeakPolarHBondContact O-CG 3.39Å; D409-R413 PolarHBondContact O-N 3.13Å; D409-R413 VanDerWaalsContact O-N 3.08Å; D409-R413 IonicContact OD2-CZ 2.73Å; D409-R413 IonicContact OD2-NE 3.58Å; D409-R413 IonicContact OD2-NH2 3.64Å; D409-R413 PolarHBondContact OD2-NH2 2.86Å; K410-R413 PolarHBondContact O-N 3.38Å; H411-R413 VanDerWaalsContact C-N 3.29Å; H411-R413 PolarHBondContact O-N 3.06Å; R413-R417 WeakPolarHBondContact O-CG 3.42Å
414R83.8Confident82.5Confident23 Ų2391.3 Ų91.39%0.08744%0.444CS..Hα-helixtrans-66.5-50.8173.9-72177.578.6-175.96.3111.1D165 L168 T169 E172 K410 H411 K416 R417 L418D165-R414 PolarHBondContact O-NH1 3.05Å; D165-R414 VanDerWaalsContact O-NH1 3.12Å; D165-R414 IonicContact OD1-CZ 3.1Å; D165-R414 IonicContact OD1-NH1 3.44Å; D165-R414 PolarHBondContact OD1-NH1 3.21Å; D165-R414 IonicContact OD2-NH1 3.27Å; L168-R414 HydrophobicContact CD1-CB 4.39Å; T169-R414 VanDerWaalsContact CA-NH2 3.34Å; T169-R414 PolarHBondContact OG1-NH1 2.98Å; T169-R414 PolarHBondContact OG1-NH2 3.23Å; E172-R414 VanDerWaalsContact CD-NE 3.34Å; E172-R414 VanDerWaalsContact CD-NH2 3.26Å; E172-R414 WeakPolarHBondContact OE1-CB 3.27Å; E172-R414 WeakPolarHBondContact OE1-CG 3.1Å; E172-R414 IonicContact OE1-CZ 3.84Å; E172-R414 IonicContact OE1-NE 3.08Å; E172-R414 PolarHBondContact OE1-NE 3.26Å; E172-R414 IonicContact OE1-NH2 2.76Å; E172-R414 IonicContact OE2-CZ 2.95Å; E172-R414 IonicContact OE2-NE 2.57Å; E172-R414 PolarHBondContact OE2-NE 2.8Å; E172-R414 IonicContact OE2-NH2 3.53Å; E172-R414 PolarHBondContact OE2-NH2 2.99Å; K410-R414 WeakPolarHBondContact O-CG 3.5Å; K410-R414 PolarHBondContact O-N 3.11Å; H411-R414 PolarHBondContact O-N 2.99Å; H411-R414 VanDerWaalsContact O-N 3.14Å; R414-K416 VanDerWaalsContact C-N 3.34Å; R414-K416 PolarHBondContact O-N 3.39Å; R414-R417 WeakPolarHBondContact O-CA 3.47Å; R414-R417 WeakPolarHBondContact O-CB 3.47Å; R414-R417 PolarHBondContact O-N 3.14Å; R414-L418 PolarHBondContact O-N 2.88Å
415M80.9Confident82.1Confident97 Ų9796.9 Ų96.948%0.47847%0.469SS..Hα-helixtrans-57.3-42.7178-179.6162.443.600112.5H411 R417 L418 T419H411-M415 WeakPolarHBondContact O-CB 3.39Å; H411-M415 PolarHBondContact O-N 3.07Å; M415-R417 PolarHBondContact O-N 3.5Å; M415-R417 VanDerWaalsContact O-N 3.07Å; M415-L418 PolarHBondContact O-N 3.03Å; M415-T419 PolarHBondContact O-N 3.28Å; M415-T419 PolarHBondContact O-OG1 2.89Å
416K79.6Confident81.5Confident165 Ų16598.4 Ų98.472%0.71747%0.469SS*.Hα-helixtrans-64.9-2.1172-75.6178.1178.5179.10116N412 R414N412-K416 WeakPolarHBondContact O-CB 3.23Å; N412-K416 VanDerWaalsContact O-CG 3.29Å; N412-K416 WeakPolarHBondContact O-CG 3.18Å; N412-K416 PolarHBondContact O-N 3.13Å; N412-K416 VanDerWaalsContact O-N 3.12Å; R414-K416 VanDerWaalsContact C-N 3.34Å; R414-K416 PolarHBondContact O-N 3.39Å
417R74.8Confident80.9Confident205 Ų20596.2 Ų96.277%0.77445%0.454SS*.Hα-helixtrans-105.1-15.2169.9-64.5169.8177.2179.6-1.4112.7R413 R414 M415R413-R417 WeakPolarHBondContact O-CG 3.42Å; R414-R417 WeakPolarHBondContact O-CA 3.47Å; R414-R417 WeakPolarHBondContact O-CB 3.47Å; R414-R417 PolarHBondContact O-N 3.14Å; M415-R417 PolarHBondContact O-N 3.5Å; M415-R417 VanDerWaalsContact O-N 3.07Å
418L65.6Low80.3Confident81 Ų81100.7 Ų100.742%0.42447%0.47SS..Hα-helixtrans-93.9-6.9175.5-64.8174.1000112.5L168 L171 E172 R414 M415L168-L418 HydrophobicContact CD2-CD1 4.09Å; L171-L418 HydrophobicContact CB-CD1 4.26Å; E172-L418 HydrophobicContact CG-CD1 4.17Å; E172-L418 HydrophobicContact CG-CD2 3.89Å; E172-L418 HydrophobicContact CG-CG 4.31Å; R414-L418 PolarHBondContact O-N 2.88Å; M415-L418 PolarHBondContact O-N 3.03Å
419T52.4Low79.5Confident165 Ų165103.9 Ų103.9100%1.01248%0.483SS*.  trans-117.60172.220.50000109.7M415M415-T419 PolarHBondContact O-N 3.28Å; M415-T419 PolarHBondContact O-OG1 2.89Å

Retrieved 419 of 419 residues in 802 ms (Link to these results)

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