A0A087X7X8_POEFO Loading...

Par-6 partitioning defective 6 homolog beta (C. elegans)

AlphaFold DB , UniProt , Accession A0A087X7X8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1R39.5Very low40.3Very low302 Ų302170.7 Ų170.7100%1.1483%0.829SS**  0102.20-134.5176.6-169.9170.42106
2N33.6Very low41Very low173 Ų173165.6 Ų165.693%0.92582%0.823SS**  trans-64.4131.8-172.9-89.4-10.1000111.4
3M37.5Very low41.7Very low185 Ų185169 Ų16991%0.91182%0.821SS**  trans-85.4124.9170.9-67177.47900109.2K5M3-K5 PolarHBondContact O-N 3.38Å
4N35.9Very low42.5Very low148 Ų148161.1 Ų161.179%0.79179%0.792SS**  trans-65.1115.8-173.6-135.118.2000110.6N6N4-N6 PolarHBondContact O-N 3.35Å
5K43.9Very low43.5Very low198 Ų198160 Ų16086%0.86179%0.789SS**  trans-77.9108.3164-78.8178.5178.11760107.5M3 H7M3-K5 PolarHBondContact O-N 3.38Å; K5-H7 PolarHBondContact O-N 3.18Å
6N37.5Very low45.5Very low145 Ų145152.9 Ų152.978%0.77576%0.76SS**  trans-65.7103.9171.8-76.6-13000109.3N4 R8N4-N6 PolarHBondContact O-N 3.35Å; N6-R8 PolarHBondContact O-N 3.02Å
7H41.3Very low47.8Very low183 Ų183146.5 Ų146.585%0.84774%0.737SS**  trans-69.1104.2163.5-116.920.4000108K5 V9K5-H7 PolarHBondContact O-N 3.18Å; H7-V9 PolarHBondContact O-N 3.43Å; H7-V9 VanDerWaalsContact O-N 3.09Å
8R45.5Very low50.3Low241 Ų241138.4 Ų138.491%0.90970%0.696SS**  trans-68.1103.8168.4-170.1176.5-176.1175.41.2107.2N6N6-R8 PolarHBondContact O-N 3.02Å
9V40.9Very low52.6Low123 Ų123135.9 Ų135.975%0.74568%0.682SS**PPolyproline II helixtrans-59.1126.6172-176.70000107.7H7 S11H7-V9 PolarHBondContact O-N 3.43Å; H7-V9 VanDerWaalsContact O-N 3.09Å; V9-S11 PolarHBondContact O-N 3.09Å
10P42.5Very low54.8Low100 Ų100129.2 Ų129.265%0.64965%0.648SS**PPolyproline II helixtrans-63.9122176.8-4.115.6000107.9
11S44.7Very low56.7Low80 Ų80126.9 Ų126.956%0.55963%0.634SS**PPolyproline II helixtrans-63.4144.2172.1630000108.7V9 R13 S14V9-S11 PolarHBondContact O-N 3.09Å; S11-R13 PolarHBondContact O-N 3.49Å; S11-S14 WeakPolarHBondContact O-CB 3.35Å; S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.1Å
12S49.6Very low59.4Low109 Ų109112.5 Ų112.576%0.76258%0.58SS**G310 helixtrans-51.9-21.5177.81680000113.9S14S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.18Å
13R50.1Low62.4Low210 Ų210107.7 Ų107.779%0.79255%0.551SS**G310 helixtrans-67.3-21171.7-73.6-175.1176.9-179-1114.8S11 L15 S16S11-R13 PolarHBondContact O-N 3.49Å; R13-L15 VanDerWaalsContact C-N 3.29Å; R13-L15 PolarHBondContact O-N 2.68Å; R13-S16 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-OG 3.38Å
14S51.9Low65Low59 Ų59100.5 Ų100.541%0.41351%0.514SS..G310 helixtrans-72.1-20.6-178.861.30000113.7S11 S12S11-S14 WeakPolarHBondContact O-CB 3.35Å; S11-S14 PolarHBondContact O-N 3.5Å; S11-S14 PolarHBondContact O-OG 3.1Å; S12-S14 VanDerWaalsContact C-N 3.3Å; S12-S14 PolarHBondContact O-N 3.18Å
15L57.5Low67.5Low144 Ų14496.2 Ų96.275%0.75451%0.505SS*.G310 helixtrans-83.5-18.3178.9-68.7168.3000112.9R13R13-L15 VanDerWaalsContact C-N 3.29Å; R13-L15 PolarHBondContact O-N 2.68Å
16S75.9Confident69.6Low47 Ų4791.3 Ų91.333%0.32950%0.502SS..THydrogen-bonded Turntrans-97.3-8.9178.271.50000113.4R13 R35R13-S16 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-OG 3.38Å; S16-R35 WeakPolarHBondContact O-CA 3.4Å; S16-R35 WeakPolarHBondContact O-CB 3.41Å; S16-R35 PolarHBondContact O-N 3.29Å
17A85.4Confident72.2Confident44 Ų4488 Ų8836%0.36448%0.482SS..EExtended strand (participates in β ladder)trans-92135.2178.400000110.9L33A17-L33 CarbonylContact C-O 3.59Å; A17-L33 WeakPolarHBondContact CA-O 3.41Å
18V91.8Very high74.8Confident0 Ų084.3 Ų84.30%046%0.463CS..EExtended strand (participates in β ladder)trans-102.8121.3169.8-176.40000108.3S32 L33 R35 V83 A86 L90V18-S32 CarbonylContact O-C 3.5Å; V18-S32 WeakPolarHBondContact O-CA 3.22Å; V18-L33 HydrophobicContact CB-CB 4.49Å; V18-L33 PolarHBondContact N-O 3.24Å; V18-L33 PolarHBondContact O-N 3.4Å; V18-R35 HydrophobicContact CG2-CB 3.82Å; V18-R35 HydrophobicContact CG2-CG 4.23Å; V18-V83 HydrophobicContact CG2-CG1 3.85Å; V18-A86 HydrophobicContact CG1-CB 3.62Å; V18-L90 HydrophobicContact CG1-CB 3.84Å
19E94.2Very high77.1Confident92 Ų9275.9 Ų75.943%0.4343%0.432SS..EExtended strand (participates in β ladder)trans-75.3134.6171-67.3-174.3-164.500109.2R30 P88 L89 L90E19-R30 IonicContact OE2-NH2 3.1Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.1Å; E19-P88 PolarHBondContact N-O 2.85Å; E19-L89 HydrophobicContact CB-CD1 3.84Å; E19-L89 CarbonylContact O-C 3.53Å; E19-L89 WeakPolarHBondContact O-CA 3.5Å; E19-L90 PolarHBondContact O-N 2.94Å
20V95.9Very high79.7Confident0 Ų078.1 Ų78.10%043%0.426CS..EExtended strand (participates in β ladder)trans-115131178-174.40000109.1R30 F31 L33 L90 L92V20-R30 WeakPolarHBondContact O-CA 3.31Å; V20-F31 WeakPolarHBondContact CA-O 3.06Å; V20-F31 HydrophobicContact CB-CD1 4.3Å; V20-F31 HydrophobicContact CB-CD2 4.13Å; V20-F31 HydrophobicContact CB-CE1 4.11Å; V20-F31 HydrophobicContact CB-CE2 3.93Å; V20-F31 HydrophobicContact CB-CG 4.31Å; V20-F31 HydrophobicContact CB-CZ 3.93Å; V20-F31 WeakPolarHBondContact CB-O 3.39Å; V20-F31 HydrophobicContact CG1-CD1 4.39Å; V20-F31 HydrophobicContact CG1-CE1 3.76Å; V20-F31 HydrophobicContact CG1-CE2 4.08Å; V20-F31 HydrophobicContact CG1-CZ 3.59Å; V20-F31 HydrophobicContact CG2-CD2 4.2Å; V20-F31 HydrophobicContact CG2-CE2 3.88Å; V20-F31 HydrophobicContact CG2-CZ 4.26Å; V20-F31 PolarHBondContact N-O 3.17Å; V20-F31 PolarHBondContact O-N 3.25Å; V20-L33 HydrophobicContact CG2-CB 4.47Å; V20-L33 HydrophobicContact CG2-CD1 3.69Å; V20-L33 HydrophobicContact CG2-CG 3.81Å; V20-L90 WeakPolarHBondContact CA-O 3.33Å; V20-L90 HydrophobicContact CG2-CB 4.3Å; V20-L90 HydrophobicContact CG2-CD2 4.29Å; V20-L92 HydrophobicContact CG1-CD1 3.37Å; V20-L92 HydrophobicContact CG1-CG 4.02Å
21K96.1Very high82.2Confident81 Ų8175.3 Ų75.335%0.35240%0.404SS..EExtended strand (participates in β ladder)trans-117.4108.3166.3177.9173.3-177.7171.90108.2F28 R30 L89 L90 R91 L92K21-F28 HydrophobicContact CD-CD1 4.39Å; K21-F28 HydrophobicContact CG-CD1 4.19Å; K21-R30 HydrophobicContact CB-CG 4.31Å; K21-R30 HydrophobicContact CG-CG 4.36Å; K21-L89 HydrophobicContact CB-CD1 3.86Å; K21-L89 HydrophobicContact CB-CD2 4.31Å; K21-L89 HydrophobicContact CB-CG 4.37Å; K21-L90 PolarHBondContact N-O 2.68Å; K21-R91 WeakPolarHBondContact O-CA 3.47Å; K21-L92 PolarHBondContact O-N 3.3Å
22S96.6Very high84.4Confident0 Ų075.7 Ų75.70%041%0.407CS..EExtended strand (participates in β ladder)trans-107.2124.8-175.7-174.70000111.1F28 R29 H52 L94S22-F28 CarbonylContact O-C 3.54Å; S22-F28 WeakPolarHBondContact O-CA 3.19Å; S22-R29 PolarHBondContact N-O 3.18Å; S22-R29 PolarHBondContact O-N 2.87Å; S22-H52 WeakPolarHBondContact CB-NE2 3.41Å; S22-H52 PolarHBondContact O-CE1 3.25Å; S22-H52 PolarHBondContact OG-NE2 2.92Å; S22-L94 WeakPolarHBondContact OG-CD1 3.4Å
23K95.3Very high86.4Confident73 Ų7371.5 Ų71.532%0.31738%0.376SS..EExtended strand (participates in β ladder)trans-107.3130.7-179.9-173.6-174.8-179.3-1800110.8G25 E27 F28 L92 F93 L94K23-G25 WeakPolarHBondContact CE-O 3.5Å; K23-E27 CarbonylContact C-O 3.58Å; K23-E27 VanDerWaalsContact CA-O 3.31Å; K23-E27 WeakPolarHBondContact CA-O 3.37Å; K23-F28 HydrophobicContact CB-CD1 3.76Å; K23-F28 HydrophobicContact CB-CE1 3.62Å; K23-F28 HydrophobicContact CB-CZ 4.4Å; K23-F28 HydrophobicContact CD-CD1 4.43Å; K23-F28 HydrophobicContact CD-CE1 3.55Å; K23-F28 HydrophobicContact CD-CE2 4.41Å; K23-F28 HydrophobicContact CD-CZ 3.54Å; K23-F28 HydrophobicContact CG-CD1 3.89Å; K23-F28 HydrophobicContact CG-CE1 3.5Å; K23-F28 VanDerWaalsContact CG-CE1 3.5Å; K23-F28 HydrophobicContact CG-CE2 4.36Å; K23-F28 HydrophobicContact CG-CZ 3.77Å; K23-L92 PolarHBondContact N-O 3.4Å; K23-F93 HydrophobicContact CB-CD1 4.42Å; K23-F93 HydrophobicContact CD-CD1 4.09Å; K23-F93 HydrophobicContact CD-CE1 4.13Å; K23-L94 WeakPolarHBondContact O-CB 3.21Å; K23-L94 PolarHBondContact O-N 2.91Å
24F92.7Very high88.3Confident33 Ų3365 Ų6515%0.14536%0.356CS..EExtended strand (participates in β ladder)trans-133.3115.1171.2179.6-113.3000109.6A26 E27 I54 L59 L94 R96F24-A26 PolarHBondContact O-N 3.19Å; F24-E27 PolarHBondContact N-O 2.75Å; F24-E27 WeakPolarHBondContact O-CB 3.36Å; F24-E27 PolarHBondContact O-N 2.79Å; F24-I54 HydrophobicContact CD1-CD1 3.89Å; F24-I54 HydrophobicContact CD1-CG2 4.46Å; F24-I54 HydrophobicContact CD2-CD1 4.04Å; F24-I54 HydrophobicContact CE1-CD1 3.76Å; F24-I54 HydrophobicContact CE1-CG2 3.83Å; F24-I54 HydrophobicContact CE2-CD1 3.92Å; F24-I54 HydrophobicContact CG-CD1 4.03Å; F24-I54 HydrophobicContact CZ-CD1 3.77Å; F24-I54 HydrophobicContact CZ-CG2 4.35Å; F24-L59 HydrophobicContact CD2-CD2 4.2Å; F24-L59 HydrophobicContact CE2-CD2 3.64Å; F24-L59 HydrophobicContact CZ-CD2 4.4Å; F24-L94 HydrophobicContact CB-CB 4.11Å; F24-L94 HydrophobicContact CB-CD1 4.37Å; F24-L94 HydrophobicContact CD2-CB 3.77Å; F24-L94 HydrophobicContact CG-CB 4.39Å; F24-R96 HydrophobicContact CE2-CG 3.83Å; F24-R96 HydrophobicContact CZ-CG 3.8Å
25G88Confident90Very high59 Ų5965.9 Ų65.961%0.60835%0.351SS*.THydrogen-bonded Turntrans59.8-118.6-171.700000111.9K23K23-G25 WeakPolarHBondContact CE-O 3.5Å
26A88.3Confident91.4Very high95 Ų9562.9 Ų62.979%0.78534%0.342SS*.THydrogen-bonded Turntrans-92.3-12.2172.800000113.3F24F24-A26 PolarHBondContact O-N 3.19Å
27E92.6Very high91.8Very high75 Ų7568.9 Ų68.935%0.3536%0.362SS..EExtended strand (participates in β ladder)trans-83.7144.1-173.1-172.8176.7-177.500112.1K23 F24 R29K23-E27 CarbonylContact C-O 3.58Å; K23-E27 VanDerWaalsContact CA-O 3.31Å; K23-E27 WeakPolarHBondContact CA-O 3.37Å; F24-E27 PolarHBondContact N-O 2.75Å; F24-E27 WeakPolarHBondContact O-CB 3.36Å; F24-E27 PolarHBondContact O-N 2.79Å; E27-R29 HydrophobicContact CG-CG 4.47Å; E27-R29 IonicContact OE1-CZ 2.71Å; E27-R29 IonicContact OE1-NE 2.69Å; E27-R29 PolarHBondContact OE1-NE 2.85Å; E27-R29 IonicContact OE1-NH2 3.31Å; E27-R29 PolarHBondContact OE1-NH2 2.82Å
28F94.5Very high91.7Very high105 Ų10568 Ų6846%0.46135%0.353SS..EExtended strand (participates in β ladder)trans-123.8136.5171.8-67-89.6000111K21 S22 K23K21-F28 HydrophobicContact CD-CD1 4.39Å; K21-F28 HydrophobicContact CG-CD1 4.19Å; S22-F28 CarbonylContact O-C 3.54Å; S22-F28 WeakPolarHBondContact O-CA 3.19Å; K23-F28 HydrophobicContact CB-CD1 3.76Å; K23-F28 HydrophobicContact CB-CE1 3.62Å; K23-F28 HydrophobicContact CB-CZ 4.4Å; K23-F28 HydrophobicContact CD-CD1 4.43Å; K23-F28 HydrophobicContact CD-CE1 3.55Å; K23-F28 HydrophobicContact CD-CE2 4.41Å; K23-F28 HydrophobicContact CD-CZ 3.54Å; K23-F28 HydrophobicContact CG-CD1 3.89Å; K23-F28 HydrophobicContact CG-CE1 3.5Å; K23-F28 VanDerWaalsContact CG-CE1 3.5Å; K23-F28 HydrophobicContact CG-CE2 4.36Å; K23-F28 HydrophobicContact CG-CZ 3.77Å
29R95.6Very high91.6Very high65 Ų6570.1 Ų70.125%0.24538%0.375CS..EExtended strand (participates in β ladder)trans-130141.3173.1-64.6-172.1178.5-116.4-2.9110.8S22 E27 V51S22-R29 PolarHBondContact N-O 3.18Å; S22-R29 PolarHBondContact O-N 2.87Å; E27-R29 HydrophobicContact CG-CG 4.47Å; E27-R29 IonicContact OE1-CZ 2.71Å; E27-R29 IonicContact OE1-NE 2.69Å; E27-R29 PolarHBondContact OE1-NE 2.85Å; E27-R29 IonicContact OE1-NH2 3.31Å; E27-R29 PolarHBondContact OE1-NH2 2.82Å; R29-V51 HydrophobicContact CB-CG1 3.72Å; R29-V51 VanDerWaalsContact CD-CG1 3.46Å; R29-V51 WeakPolarHBondContact CD-O 3.46Å; R29-V51 HydrophobicContact CG-CG1 4.23Å; R29-V51 PolarHBondContact NE-O 3.46Å; R29-V51 PolarHBondContact NH1-O 3.11Å
30R95.1Very high91.4Very high169 Ų16973 Ų7364%0.63838%0.382SS*.EExtended strand (participates in β ladder)trans-119.6138.6179.1-62.3-179.777179-0.5110.8E19 V20 K21E19-R30 IonicContact OE2-NH2 3.1Å; E19-R30 PolarHBondContact OE2-NH2 3.43Å; E19-R30 VanDerWaalsContact OE2-NH2 3.1Å; V20-R30 WeakPolarHBondContact O-CA 3.31Å; K21-R30 HydrophobicContact CB-CG 4.31Å; K21-R30 HydrophobicContact CG-CG 4.36Å
31F94.3Very high91.2Very high41 Ų4174.1 Ų74.118%0.1839%0.387CS..EExtended strand (participates in β ladder)trans-155.3171.5174.859.9-86.5000109.3V20 L33 F44 L47 L48 V51V20-F31 WeakPolarHBondContact CA-O 3.06Å; V20-F31 HydrophobicContact CB-CD1 4.3Å; V20-F31 HydrophobicContact CB-CD2 4.13Å; V20-F31 HydrophobicContact CB-CE1 4.11Å; V20-F31 HydrophobicContact CB-CE2 3.93Å; V20-F31 HydrophobicContact CB-CG 4.31Å; V20-F31 HydrophobicContact CB-CZ 3.93Å; V20-F31 WeakPolarHBondContact CB-O 3.39Å; V20-F31 HydrophobicContact CG1-CD1 4.39Å; V20-F31 HydrophobicContact CG1-CE1 3.76Å; V20-F31 HydrophobicContact CG1-CE2 4.08Å; V20-F31 HydrophobicContact CG1-CZ 3.59Å; V20-F31 HydrophobicContact CG2-CD2 4.2Å; V20-F31 HydrophobicContact CG2-CE2 3.88Å; V20-F31 HydrophobicContact CG2-CZ 4.26Å; V20-F31 PolarHBondContact N-O 3.17Å; V20-F31 PolarHBondContact O-N 3.25Å; F31-L33 HydrophobicContact CD2-CD2 4.3Å; F31-L33 HydrophobicContact CD2-CG 4.3Å; F31-L33 HydrophobicContact CE2-CD1 4.31Å; F31-L33 HydrophobicContact CE2-CD2 3.94Å; F31-L33 HydrophobicContact CE2-CG 3.94Å; F31-F44 HydrophobicContact CE2-CE2 4.13Å; F31-F44 AromaticContact CZ-CE2 4Å; F31-F44 HydrophobicContact CZ-CE2 4Å; F31-L47 HydrophobicContact CD2-CD2 4.22Å; F31-L47 HydrophobicContact CE2-CD2 3.78Å; F31-L47 HydrophobicContact CZ-CD2 4.42Å; F31-L48 HydrophobicContact CE1-CD2 4.16Å; F31-L48 HydrophobicContact CZ-CD2 3.9Å; F31-V51 HydrophobicContact CD1-CG1 4.14Å; F31-V51 HydrophobicContact CD1-CG2 4.42Å; F31-V51 HydrophobicContact CE1-CG1 4.33Å
32S91.9Very high91Very high88 Ų8876 Ų7662%0.61540%0.4SS*.EExtended strand (participates in β ladder)trans-114.4144.2179.557.30000111.7V18V18-S32 CarbonylContact O-C 3.5Å; V18-S32 WeakPolarHBondContact O-CA 3.22Å
33L91.5Very high90.8Very high22 Ų2281.6 Ų81.612%0.11543%0.427CS..EExtended strand (participates in β ladder)trans-117.5154.1172.2-68.1174.9000111.1A17 V18 V20 F31 F44 L47 Y79A17-L33 CarbonylContact C-O 3.59Å; A17-L33 WeakPolarHBondContact CA-O 3.41Å; V18-L33 HydrophobicContact CB-CB 4.49Å; V18-L33 PolarHBondContact N-O 3.24Å; V18-L33 PolarHBondContact O-N 3.4Å; V20-L33 HydrophobicContact CG2-CB 4.47Å; V20-L33 HydrophobicContact CG2-CD1 3.69Å; V20-L33 HydrophobicContact CG2-CG 3.81Å; F31-L33 HydrophobicContact CD2-CD2 4.3Å; F31-L33 HydrophobicContact CD2-CG 4.3Å; F31-L33 HydrophobicContact CE2-CD1 4.31Å; F31-L33 HydrophobicContact CE2-CD2 3.94Å; F31-L33 HydrophobicContact CE2-CG 3.94Å; L33-F44 HydrophobicContact CD1-CD2 4.04Å; L33-F44 HydrophobicContact CD1-CE2 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.49Å; L33-F44 HydrophobicContact CD2-CD2 4.47Å; L33-L47 HydrophobicContact CD2-CD2 4.06Å; L33-Y79 HydrophobicContact CD1-CE2 4.46Å
34D89.2Confident90.7Very high72 Ų7278.3 Ų78.339%0.38541%0.412SS..EExtended strand (participates in β ladder)trans-84.4121.4169.8-169.3-12.9000110.2S36 K37 P38D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 VanDerWaalsContact CG-OG 3.22Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 PolarHBondContact OD1-OG 3.17Å; D34-S36 PolarHBondContact OD2-OG 3.12Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å; D34-K37 CarbonylContact O-C 3.58Å; D34-P38 WeakPolarHBondContact O-CA 3.48Å
35R87.7Confident90.7Very high79 Ų7978.9 Ų78.930%0.29841%0.414SS..SBendtrans-67-31.1176.4-173.2171.1-70.9-156.3-5.4112.3S16 V18 V83 A86S16-R35 WeakPolarHBondContact O-CA 3.4Å; S16-R35 WeakPolarHBondContact O-CB 3.41Å; S16-R35 PolarHBondContact O-N 3.29Å; V18-R35 HydrophobicContact CG2-CB 3.82Å; V18-R35 HydrophobicContact CG2-CG 4.23Å; R35-V83 HydrophobicContact CG-CG1 4.48Å; R35-A86 PolarHBondContact NH2-O 3.14Å
36S86.3Confident90.9Very high81 Ų8177.6 Ų77.657%0.56640%0.401SS*.SBendtrans-75.4-29.7-175.770.90000112.3D34D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 VanDerWaalsContact CG-OG 3.22Å; D34-S36 PolarHBondContact O-N 2.85Å; D34-S36 WeakPolarHBondContact OD1-CB 3.48Å; D34-S36 PolarHBondContact OD1-N 3.14Å; D34-S36 PolarHBondContact OD1-OG 3.17Å; D34-S36 PolarHBondContact OD2-OG 3.12Å; D34-S36 VanDerWaalsContact OD2-OG 3.11Å
37K85.8Confident91.2Very high172 Ų17276 Ų7675%0.74838%0.379SS*.  trans-142.372.5-177.8-65.6-178-177177.40110.6D34 G39D34-K37 CarbonylContact O-C 3.58Å; K37-G39 PolarHBondContact O-N 3.1Å
38P82.6Confident91.2Very high26 Ų2672.5 Ų72.517%0.16936%0.362CS..  trans-70.6-12.7-175.325.9-32.9000114.6D34 Y79 L80 V83D34-P38 WeakPolarHBondContact O-CA 3.48Å; P38-Y79 HydrophobicContact CB-CE1 3.84Å; P38-Y79 VanDerWaalsContact O-CE1 3.26Å; P38-Y79 WeakPolarHBondContact O-CE1 3.44Å; P38-Y79 PolarHBondContact O-OH 3.1Å; P38-L80 HydrophobicContact CG-CD1 3.68Å; P38-V83 HydrophobicContact CB-CB 4.46Å; P38-V83 HydrophobicContact CB-CG1 4.15Å; P38-V83 HydrophobicContact CB-CG2 4.13Å
39G88.7Confident91.1Very high45 Ų4569.3 Ų69.346%0.46435%0.349SS..  trans80.1-166.3-177.200000113.2K37K37-G39 PolarHBondContact O-N 3.1Å
40R91.1Very high91Very high153 Ų15373.3 Ų73.358%0.57737%0.37SS*.  trans-91.2158.7174.9-67.4-167.6-178.9100-3111.8D42 E43 F44R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.03Å; R40-E43 PolarHBondContact N-OE2 2.92Å; R40-E43 PolarHBondContact O-N 3.18Å; R40-F44 PolarHBondContact O-N 3.33Å; R40-F44 VanDerWaalsContact O-N 3.16Å
41F91.5Very high91Very high23 Ų2366.7 Ų66.710%0.10135%0.348CS..Hα-helixtrans-59.4-37.9176172.9-111.2000112E43 F44 Y45 I73 D76F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 2.86Å; F41-F44 HydrophobicContact CD2-CD1 4.34Å; F41-F44 CarbonylContact O-C 3.45Å; F41-F44 PolarHBondContact O-N 2.83Å; F41-Y45 HydrophobicContact CE1-CD2 4.33Å; F41-Y45 HydrophobicContact CE2-CD2 4.41Å; F41-Y45 AromaticContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CG 4.4Å; F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.45Å; F41-Y45 PolarHBondContact O-N 2.64Å; F41-I73 HydrophobicContact CD2-CG2 3.54Å; F41-I73 HydrophobicContact CE2-CB 4.19Å; F41-I73 HydrophobicContact CE2-CG2 3.46Å; F41-I73 VanDerWaalsContact CE2-CG2 3.46Å; F41-I73 WeakPolarHBondContact CE2-O 3.36Å; F41-I73 WeakPolarHBondContact CZ-O 3.43Å; F41-D76 WeakPolarHBondContact CB-OD1 3.41Å; F41-D76 PolarHBondContact N-OD1 2.99Å
42D91.2Very high90.9Very high120 Ų12064.9 Ų64.964%0.64234%0.34SS*.Hα-helixtrans-61.8-40.8180-65-29.1000112.6R40 Y45 G46R40-D42 VanDerWaalsContact C-N 3.26Å; R40-D42 PolarHBondContact O-N 3.03Å; D42-Y45 PolarHBondContact O-N 3.11Å; D42-G46 PolarHBondContact O-N 2.92Å
43E92.4Very high90.9Very high117 Ų11770.3 Ų70.355%0.54735%0.347SS..Hα-helixtrans-66.2-44.5176.6-64.2170.6173.200110.6R40 F41 G46 L47R40-E43 PolarHBondContact N-OE2 2.92Å; R40-E43 PolarHBondContact O-N 3.18Å; F41-E43 VanDerWaalsContact C-N 3.34Å; F41-E43 PolarHBondContact O-N 2.86Å; E43-G46 PolarHBondContact O-N 3.44Å; E43-L47 PolarHBondContact O-N 2.87Å
44F93.6Very high90.8Very high4 Ų470.5 Ų70.52%0.01835%0.348CS..Hα-helixtrans-64.8-39.2177176.6-114.2000112.6F31 L33 R40 F41 L47 L48 I73 Y79 L92F31-F44 HydrophobicContact CE2-CE2 4.13Å; F31-F44 AromaticContact CZ-CE2 4Å; F31-F44 HydrophobicContact CZ-CE2 4Å; L33-F44 HydrophobicContact CD1-CD2 4.04Å; L33-F44 HydrophobicContact CD1-CE2 3.67Å; L33-F44 HydrophobicContact CD1-CZ 4.49Å; L33-F44 HydrophobicContact CD2-CD2 4.47Å; R40-F44 PolarHBondContact O-N 3.33Å; R40-F44 VanDerWaalsContact O-N 3.16Å; F41-F44 HydrophobicContact CD2-CD1 4.34Å; F41-F44 CarbonylContact O-C 3.45Å; F41-F44 PolarHBondContact O-N 2.83Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.8Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CE1-CD1 3.58Å; F44-L48 HydrophobicContact CE1-CG 4.22Å; F44-L48 HydrophobicContact CE2-CD1 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.04Å; F44-L48 WeakPolarHBondContact O-CG 3.36Å; F44-L48 PolarHBondContact O-N 3.3Å; F44-I73 HydrophobicContact CE1-CD1 4.47Å; F44-Y79 HydrophobicContact CB-CD2 4.36Å; F44-Y79 HydrophobicContact CB-CE1 4.13Å; F44-Y79 HydrophobicContact CB-CE2 3.82Å; F44-Y79 AromaticContact CD1-CD2 3.46Å; F44-Y79 HydrophobicContact CD1-CD2 3.46Å; F44-Y79 VanDerWaalsContact CD1-CD2 3.46Å; F44-Y79 AromaticContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CG 4.35Å; F44-Y79 AromaticContact CD2-CE2 3.67Å; F44-Y79 HydrophobicContact CD2-CE2 3.67Å; F44-Y79 AromaticContact CD2-CZ 3.97Å; F44-Y79 AromaticContact CE1-CD2 3.78Å; F44-Y79 HydrophobicContact CE1-CD2 3.78Å; F44-Y79 AromaticContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE2-CE2 4.02Å; F44-Y79 AromaticContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CE1 4.5Å; F44-Y79 AromaticContact CG-CE2 3.29Å; F44-Y79 HydrophobicContact CG-CE2 3.29Å; F44-Y79 AromaticContact CG-CZ 3.65Å; F44-Y79 HydrophobicContact CZ-CD2 4.48Å; F44-Y79 AromaticContact CZ-CE2 3.99Å; F44-Y79 HydrophobicContact CZ-CE2 3.99Å; F44-L92 HydrophobicContact CE1-CD1 4.33Å; F44-L92 HydrophobicContact CE2-CD1 4.44Å; F44-L92 HydrophobicContact CZ-CD1 3.54Å
45Y93Very high90.5Very high46 Ų4671.3 Ų71.318%0.1836%0.357CS..Hα-helixtrans-64.2-44.2175.9-177.1-88.2000111.1F41 D42 L47 L48 Q49 V57 E58 L59 V61F41-Y45 HydrophobicContact CE1-CD2 4.33Å; F41-Y45 HydrophobicContact CE2-CD2 4.41Å; F41-Y45 AromaticContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CD2 3.79Å; F41-Y45 HydrophobicContact CZ-CG 4.4Å; F41-Y45 VanDerWaalsContact O-CB 3.23Å; F41-Y45 WeakPolarHBondContact O-CB 3.45Å; F41-Y45 PolarHBondContact O-N 2.64Å; D42-Y45 PolarHBondContact O-N 3.11Å; Y45-L47 VanDerWaalsContact C-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.45Å; Y45-L48 PolarHBondContact O-N 2.69Å; Y45-Q49 HydrophobicContact CD1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.49Å; Y45-Q49 HydrophobicContact CE1-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.29Å; Y45-Q49 PolarHBondContact O-N 2.65Å; Y45-Q49 VanDerWaalsContact O-N 3.1Å; Y45-V57 PolarHBondContact OH-O 2.8Å; Y45-E58 WeakPolarHBondContact OH-CA 3.34Å; Y45-L59 HydrophobicContact CE2-CB 3.97Å; Y45-L59 PolarHBondContact OH-N 2.74Å; Y45-V61 HydrophobicContact CD2-CG2 3.97Å; Y45-V61 HydrophobicContact CE2-CG2 4.13Å
46G92.6Very high90.1Very high32 Ų3275.1 Ų75.133%0.3338%0.384SS..Hα-helixtrans-61.1-39.6172.100000112.7D42 E43 Q49 H50D42-G46 PolarHBondContact O-N 2.92Å; E43-G46 PolarHBondContact O-N 3.44Å; G46-Q49 PolarHBondContact O-N 2.79Å; G46-H50 WeakPolarHBondContact O-CB 2.97Å; G46-H50 PolarHBondContact O-N 2.71Å
47L93.2Very high90.1Very high62 Ų6273.1 Ų73.133%0.32537%0.368SS..Hα-helixtrans-61.2-43.6173.817865000111.6F31 L33 E43 F44 Y45 Q49 H50 V51F31-L47 HydrophobicContact CD2-CD2 4.22Å; F31-L47 HydrophobicContact CE2-CD2 3.78Å; F31-L47 HydrophobicContact CZ-CD2 4.42Å; L33-L47 HydrophobicContact CD2-CD2 4.06Å; E43-L47 PolarHBondContact O-N 2.87Å; F44-L47 WeakPolarHBondContact O-CB 3.49Å; F44-L47 PolarHBondContact O-N 2.8Å; Y45-L47 VanDerWaalsContact C-N 3.33Å; Y45-L47 PolarHBondContact O-N 3.45Å; L47-Q49 PolarHBondContact O-N 2.88Å; L47-H50 PolarHBondContact O-N 3.43Å; L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 HydrophobicContact CG-CG2 4.16Å; L47-V51 WeakPolarHBondContact O-CB 3.04Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 2.74Å
48L93.9Very high90Very high0 Ų070.5 Ų70.50%036%0.358CS..Hα-helixtrans-61.4-43.5177.5-71.3171000111.9F31 F44 Y45 H52 V61 L92 L94F31-L48 HydrophobicContact CE1-CD2 4.16Å; F31-L48 HydrophobicContact CZ-CD2 3.9Å; F44-L48 HydrophobicContact CD1-CD1 4.04Å; F44-L48 HydrophobicContact CE1-CD1 3.58Å; F44-L48 HydrophobicContact CE1-CG 4.22Å; F44-L48 HydrophobicContact CE2-CD1 4.45Å; F44-L48 HydrophobicContact CE2-CD2 4.28Å; F44-L48 HydrophobicContact CE2-CG 4.22Å; F44-L48 HydrophobicContact CZ-CD1 3.83Å; F44-L48 HydrophobicContact CZ-CD2 4.07Å; F44-L48 HydrophobicContact CZ-CG 4.04Å; F44-L48 WeakPolarHBondContact O-CG 3.36Å; F44-L48 PolarHBondContact O-N 3.3Å; Y45-L48 PolarHBondContact O-N 2.69Å; L48-H52 PolarHBondContact O-CD2 2.84Å; L48-H52 PolarHBondContact O-N 3.01Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.02Å; L48-L92 HydrophobicContact CD2-CD1 3.9Å; L48-L94 HydrophobicContact CB-CD1 4.35Å; L48-L94 HydrophobicContact CD1-CD2 3.95Å; L48-L94 HydrophobicContact CD2-CD1 4.31Å
49Q92.7Very high90.3Very high38 Ų3869.9 Ų69.918%0.17835%0.353CS..Hα-helixtrans-63.1-42.5175.8-71179.8-35.800112Y45 G46 L47 R53 I54 V57 L59Y45-Q49 HydrophobicContact CD1-CG 4.49Å; Y45-Q49 VanDerWaalsContact CE1-CD 3.49Å; Y45-Q49 HydrophobicContact CE1-CG 4.15Å; Y45-Q49 VanDerWaalsContact CE1-NE2 3.29Å; Y45-Q49 PolarHBondContact O-N 2.65Å; Y45-Q49 VanDerWaalsContact O-N 3.1Å; G46-Q49 PolarHBondContact O-N 2.79Å; L47-Q49 PolarHBondContact O-N 2.88Å; Q49-R53 PolarHBondContact O-N 3.41Å; Q49-R53 VanDerWaalsContact O-N 3.1Å; Q49-I54 PolarHBondContact O-N 2.85Å; Q49-V57 PolarHBondContact NE2-O 3.41Å; Q49-L59 HydrophobicContact CG-CD1 3.91Å
50H93.2Very high90.4Very high149 Ų14968.8 Ų68.869%0.6934%0.337SS*.Hα-helixtrans-64.9-48.9177.8-177.478.5000111.8G46 L47 H52 R53G46-H50 WeakPolarHBondContact O-CB 2.97Å; G46-H50 PolarHBondContact O-N 2.71Å; L47-H50 PolarHBondContact O-N 3.43Å; H50-H52 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 2.88Å; H50-R53 PolarHBondContact O-N 2.86Å; H50-R53 VanDerWaalsContact O-N 3.08Å
51V94.1Very high90.4Very high30 Ų3061.7 Ų61.718%0.18231%0.311CS..Hα-helixtrans-59.7-45.1-179.3166.50000110.4R29 F31 L47 R53R29-V51 HydrophobicContact CB-CG1 3.72Å; R29-V51 VanDerWaalsContact CD-CG1 3.46Å; R29-V51 WeakPolarHBondContact CD-O 3.46Å; R29-V51 HydrophobicContact CG-CG1 4.23Å; R29-V51 PolarHBondContact NE-O 3.46Å; R29-V51 PolarHBondContact NH1-O 3.11Å; F31-V51 HydrophobicContact CD1-CG1 4.14Å; F31-V51 HydrophobicContact CD1-CG2 4.42Å; F31-V51 HydrophobicContact CE1-CG1 4.33Å; L47-V51 HydrophobicContact CD1-CG2 3.83Å; L47-V51 HydrophobicContact CG-CG2 4.16Å; L47-V51 WeakPolarHBondContact O-CB 3.04Å; L47-V51 VanDerWaalsContact O-CG2 3.25Å; L47-V51 WeakPolarHBondContact O-CG2 3.47Å; L47-V51 PolarHBondContact O-N 2.74Å; V51-R53 VanDerWaalsContact C-N 3.29Å; V51-R53 PolarHBondContact O-N 2.74Å
52H93.3Very high90.4Very high4 Ų460.6 Ų60.62%0.01931%0.306CS..THydrogen-bonded Turntrans-82.42.2178.2-75.1-81.7000114.8S22 L48 H50 I54 L94S22-H52 WeakPolarHBondContact CB-NE2 3.41Å; S22-H52 PolarHBondContact O-CE1 3.25Å; S22-H52 PolarHBondContact OG-NE2 2.92Å; L48-H52 PolarHBondContact O-CD2 2.84Å; L48-H52 PolarHBondContact O-N 3.01Å; H50-H52 VanDerWaalsContact C-N 3.34Å; H50-H52 PolarHBondContact O-N 2.88Å; H52-I54 HydrophobicContact CB-CD1 3.66Å; H52-I54 HydrophobicContact CB-CG1 3.72Å; H52-I54 PolarHBondContact O-N 3.29Å; H52-L94 WeakPolarHBondContact CD2-CD1 3.38Å; H52-L94 WeakPolarHBondContact NE2-CD1 3.38Å
53R92Very high90.5Very high202 Ų20255 Ų5576%0.76228%0.276SS*.THydrogen-bonded Turntrans54.337.8-178.3-55.2-177.7178.11781.7113.4Q49 H50 V51 P55Q49-R53 PolarHBondContact O-N 3.41Å; Q49-R53 VanDerWaalsContact O-N 3.1Å; H50-R53 PolarHBondContact O-N 2.86Å; H50-R53 VanDerWaalsContact O-N 3.08Å; V51-R53 VanDerWaalsContact C-N 3.29Å; V51-R53 PolarHBondContact O-N 2.74Å; R53-P55 VanDerWaalsContact O-CD 3.25Å; R53-P55 WeakPolarHBondContact O-CD 3.25Å
54I88.9Confident90.5Very high26 Ų2650 Ų5013%0.13325%0.254CS..  trans-119.561.4-179.852.1-177.1000111.3F24 Q49 H52 V57 L59F24-I54 HydrophobicContact CD1-CD1 3.89Å; F24-I54 HydrophobicContact CD1-CG2 4.46Å; F24-I54 HydrophobicContact CD2-CD1 4.04Å; F24-I54 HydrophobicContact CE1-CD1 3.76Å; F24-I54 HydrophobicContact CE1-CG2 3.83Å; F24-I54 HydrophobicContact CE2-CD1 3.92Å; F24-I54 HydrophobicContact CG-CD1 4.03Å; F24-I54 HydrophobicContact CZ-CD1 3.77Å; F24-I54 HydrophobicContact CZ-CG2 4.35Å; Q49-I54 PolarHBondContact O-N 2.85Å; H52-I54 HydrophobicContact CB-CD1 3.66Å; H52-I54 HydrophobicContact CB-CG1 3.72Å; H52-I54 PolarHBondContact O-N 3.29Å; I54-V57 HydrophobicContact CB-CB 4.48Å; I54-V57 HydrophobicContact CB-CG2 4.21Å; I54-L59 HydrophobicContact CD1-CD1 3.72Å; I54-L59 HydrophobicContact CD1-CD2 3.9Å; I54-L59 HydrophobicContact CD1-CG 4.39Å; I54-L59 HydrophobicContact CG1-CD1 4.34Å
55P81.9Confident90.3Very high89 Ų8951.3 Ų51.358%0.57826%0.261SS*.THydrogen-bonded Turntrans-63.3142.3176.829.7-34.4000110.1R53 V57R53-P55 VanDerWaalsContact O-CD 3.25Å; R53-P55 WeakPolarHBondContact O-CD 3.25Å; P55-V57 VanDerWaalsContact C-N 3.33Å; P55-V57 PolarHBondContact O-N 3.02Å
56N80.9Confident90Very high159 Ų15953.9 Ų53.985%0.8528%0.281SS*.THydrogen-bonded Turntrans70.115.3176.1-46.6-45.7000116.7
57V84.6Confident89.6Confident38 Ų3859.2 Ų59.223%0.2330%0.298CS..  trans-96.6128.1172.4-179.10000109.8Y45 Q49 I54 P55 L59 R96Y45-V57 PolarHBondContact OH-O 2.8Å; Q49-V57 PolarHBondContact NE2-O 3.41Å; I54-V57 HydrophobicContact CB-CB 4.48Å; I54-V57 HydrophobicContact CB-CG2 4.21Å; P55-V57 VanDerWaalsContact C-N 3.33Å; P55-V57 PolarHBondContact O-N 3.02Å; V57-L59 HydrophobicContact CB-CD2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; V57-L59 HydrophobicContact CG1-CG 4.41Å; V57-L59 PolarHBondContact O-N 2.71Å; V57-R96 HydrophobicContact CG1-CB 4.44Å; V57-R96 HydrophobicContact CG1-CG 3.73Å
58E85.3Confident89.1Confident117 Ų11757 Ų5755%0.54729%0.29SS..  trans-74119.2170.2-74.1-166.6-164.100110.1Y45 K97Y45-E58 WeakPolarHBondContact OH-CA 3.34Å; E58-K97 HydrophobicContact CB-CB 3.97Å; E58-K97 HydrophobicContact CB-CD 4.06Å; E58-K97 WeakPolarHBondContact O-CB 3.47Å; E58-K97 PolarHBondContact O-N 2.87Å; E58-K97 WeakPolarHBondContact OE2-CD 3.36Å; E58-K97 WeakPolarHBondContact OE2-CE 2.9Å; E58-K97 IonicContact OE2-NZ 2.65Å; E58-K97 PolarHBondContact OE2-NZ 3.42Å
59L88.9Confident88.7Confident13 Ų1360.6 Ų60.67%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-112.1139-174.7-60.6170.4000110.7F24 Y45 Q49 I54 V57 Q95F24-L59 HydrophobicContact CD2-CD2 4.2Å; F24-L59 HydrophobicContact CE2-CD2 3.64Å; F24-L59 HydrophobicContact CZ-CD2 4.4Å; Y45-L59 HydrophobicContact CE2-CB 3.97Å; Y45-L59 PolarHBondContact OH-N 2.74Å; Q49-L59 HydrophobicContact CG-CD1 3.91Å; I54-L59 HydrophobicContact CD1-CD1 3.72Å; I54-L59 HydrophobicContact CD1-CD2 3.9Å; I54-L59 HydrophobicContact CD1-CG 4.39Å; I54-L59 HydrophobicContact CG1-CD1 4.34Å; V57-L59 HydrophobicContact CB-CD2 4.48Å; V57-L59 HydrophobicContact CG1-CD2 3.84Å; V57-L59 HydrophobicContact CG1-CG 4.41Å; V57-L59 PolarHBondContact O-N 2.71Å; L59-Q95 CarbonylContact C-O 3.58Å; L59-Q95 WeakPolarHBondContact CA-O 3.39Å
60L89.2Confident88.5Confident22 Ų2260.3 Ų60.312%0.11531%0.309CS..EExtended strand (participates in β ladder)trans-86.6125.4157.3-64-179.4000108L94 Q95 A100 F105L60-L94 WeakPolarHBondContact O-CA 3.48Å; L60-Q95 PolarHBondContact N-O 2.83Å; L60-Q95 PolarHBondContact O-N 2.77Å; L60-A100 HydrophobicContact CD1-CB 3.37Å; L60-A100 HydrophobicContact CG-CB 4.39Å; L60-F105 HydrophobicContact CB-CE2 4.41Å; L60-F105 HydrophobicContact CB-CZ 4.01Å; L60-F105 HydrophobicContact CD1-CD2 4.42Å; L60-F105 HydrophobicContact CD1-CE2 3.88Å; L60-F105 HydrophobicContact CD1-CZ 4.3Å
61V92.3Very high88.3Confident5 Ų555.9 Ų55.93%0.0329%0.29CS..EExtended strand (participates in β ladder)trans-108.4126.3177.9-172.80000107.8Y45 L48 P72 I73 L94Y45-V61 HydrophobicContact CD2-CG2 3.97Å; Y45-V61 HydrophobicContact CE2-CG2 4.13Å; L48-V61 HydrophobicContact CD1-CG1 3.9Å; L48-V61 HydrophobicContact CD1-CG2 4.02Å; V61-P72 CarbonylContact O-C 3.11Å; V61-P72 WeakPolarHBondContact O-CA 3.47Å; V61-I73 HydrophobicContact CB-CB 4.2Å; V61-I73 HydrophobicContact CG1-CB 3.98Å; V61-I73 HydrophobicContact CG1-CD1 4.11Å; V61-I73 HydrophobicContact CG1-CG1 4.28Å; V61-I73 PolarHBondContact O-N 2.94Å; V61-L94 HydrophobicContact CB-CD2 4.14Å; V61-L94 HydrophobicContact CG1-CD2 3.81Å; V61-L94 HydrophobicContact CG2-CD2 3.86Å
62A91.8Very high88.2Confident0 Ų056.3 Ų56.30%029%0.293CS..EExtended strand (participates in β ladder)trans-126.3158.3165.200000111.7L71 L92 F93 F105A62-L71 CarbonylContact C-O 3.54Å; A62-L71 WeakPolarHBondContact CA-O 3.25Å; A62-L71 VanDerWaalsContact CB-O 3.25Å; A62-L71 WeakPolarHBondContact CB-O 3.14Å; A62-L92 CarbonylContact O-C 3.59Å; A62-L92 VanDerWaalsContact O-CA 3.22Å; A62-L92 WeakPolarHBondContact O-CA 3.26Å; A62-F93 PolarHBondContact N-O 3.49Å; A62-F93 PolarHBondContact O-N 2.78Å; A62-F105 HydrophobicContact CB-CD1 4.05Å; A62-F105 HydrophobicContact CB-CE1 3.44Å; A62-F105 VanDerWaalsContact CB-CE1 3.44Å; A62-F105 HydrophobicContact CB-CZ 4.49Å
63Y93.7Very high88.1Confident3 Ų356.2 Ų56.21%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-118.2151.9166.372.5-72.8000111.5D65 L70 L71 I73 A82 L90 R91Y63-D65 HydrophobicContact CE2-CB 4.1Å; Y63-L70 WeakPolarHBondContact O-CA 3.24Å; Y63-L71 HydrophobicContact CD1-CB 3.97Å; Y63-L71 VanDerWaalsContact CD1-O 3.24Å; Y63-L71 WeakPolarHBondContact CD1-O 3.43Å; Y63-L71 HydrophobicContact CE1-CB 3.48Å; Y63-L71 VanDerWaalsContact CE1-CB 3.48Å; Y63-L71 HydrophobicContact CE1-CD1 4.3Å; Y63-L71 HydrophobicContact CE2-CD1 4.33Å; Y63-L71 PolarHBondContact N-O 3.15Å; Y63-L71 PolarHBondContact O-N 2.87Å; Y63-L71 WeakPolarHBondContact OH-CD1 3.31Å; Y63-I73 HydrophobicContact CD1-CD1 3.92Å; Y63-I73 HydrophobicContact CD1-CG1 3.52Å; Y63-I73 HydrophobicContact CE1-CG1 4.21Å; Y63-I73 HydrophobicContact CG-CD1 4.34Å; Y63-I73 HydrophobicContact CG-CG1 4.38Å; Y63-A82 HydrophobicContact CD1-CB 3.61Å; Y63-A82 HydrophobicContact CD2-CB 3.83Å; Y63-A82 HydrophobicContact CE1-CB 3.78Å; Y63-A82 HydrophobicContact CE2-CB 4.01Å; Y63-A82 HydrophobicContact CG-CB 3.62Å; Y63-L90 HydrophobicContact CD2-CD1 4.3Å; Y63-L90 HydrophobicContact CG-CD1 4.31Å; Y63-R91 CarbonylContact C-O 3.58Å; Y63-R91 WeakPolarHBondContact CA-O 3.23Å
64A92.2Very high87.9Confident11 Ų1148.3 Ų48.39%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-85.4120.1165.300000109.5D69 L70 R91 F93 L110A64-D69 WeakPolarHBondContact CA-O 3.42Å; A64-L70 HydrophobicContact CB-CD2 4.19Å; A64-R91 HydrophobicContact CB-CB 4.24Å; A64-R91 PolarHBondContact N-O 3.31Å; A64-F93 HydrophobicContact CB-CE2 4.16Å; A64-L110 HydrophobicContact CB-CD1 4.02Å
65D89.1Confident87.8Confident31 Ų3147.7 Ų47.717%0.16626%0.263CS..  trans-70172.6174-166.416.2000111.4Y63 H67 G68 D69 L71Y63-D65 HydrophobicContact CE2-CB 4.1Å; D65-H67 PolarHBondContact O-N 3.35Å; D65-H67 VanDerWaalsContact O-N 3.1Å; D65-H67 IonicContact OD2-CD2 3.63Å; D65-G68 WeakPolarHBondContact O-CA 3.4Å; D65-G68 PolarHBondContact O-N 2.75Å; D65-D69 PolarHBondContact N-O 2.88Å; D65-L71 HydrophobicContact CB-CD1 3.96Å
66V86Confident88.2Confident100 Ų10047 Ų4761%0.60625%0.254SS*.THydrogen-bonded Turntrans-55.9-25.8175.3-59.90000113S85V66-S85 WeakPolarHBondContact CG1-O 3.31Å
67H85.3Confident88.5Confident144 Ų14443.8 Ų43.867%0.66724%0.237SC*.THydrogen-bonded Turntrans-85.3-6.8176.2-58.7-61.7000113.6D65D65-H67 PolarHBondContact O-N 3.35Å; D65-H67 VanDerWaalsContact O-N 3.1Å; D65-H67 IonicContact OD2-CD2 3.63Å
68G82.2Confident88.7Confident17 Ų1743.5 Ų43.518%0.17523%0.234CC..SBendtrans858.9-17800000114.6D65D65-G68 WeakPolarHBondContact O-CA 3.4Å; D65-G68 PolarHBondContact O-N 2.75Å
69D86.1Confident89.1Confident74 Ų7438 Ų3840%0.39621%0.209SC..BIsolated β-bridgetrans-80.4137.1176.2-63.8-37.9000111.1A64 D65 L71A64-D69 WeakPolarHBondContact CA-O 3.42Å; D65-D69 PolarHBondContact N-O 2.88Å; D69-L71 PolarHBondContact O-N 3.08Å
70L88.6Confident89.2Confident32 Ų3240.2 Ų40.217%0.16822%0.22CC..EExtended strand (participates in β ladder)trans-84.5106.6176.3-70.1176.7000110.5Y63 A64 F93 L110Y63-L70 WeakPolarHBondContact O-CA 3.24Å; A64-L70 HydrophobicContact CB-CD2 4.19Å; L70-F93 HydrophobicContact CD2-CD2 3.35Å; L70-F93 HydrophobicContact CD2-CE2 3.48Å; L70-F93 VanDerWaalsContact CD2-CE2 3.48Å; L70-F93 HydrophobicContact CD2-CG 4.09Å; L70-F93 HydrophobicContact CD2-CZ 4.29Å; L70-L110 HydrophobicContact CD1-CD2 4.2Å; L70-L110 HydrophobicContact CD2-CD2 4.08Å; L70-L110 HydrophobicContact CG-CD2 4.22Å
71L88.8Confident89.3Confident56 Ų5644.9 Ų44.929%0.29324%0.24SC..EExtended strand (participates in β ladder)trans-107.6134-178.6-61.8-179.6000110.7A62 Y63 D65 D69A62-L71 CarbonylContact C-O 3.54Å; A62-L71 WeakPolarHBondContact CA-O 3.25Å; A62-L71 VanDerWaalsContact CB-O 3.25Å; A62-L71 WeakPolarHBondContact CB-O 3.14Å; Y63-L71 HydrophobicContact CD1-CB 3.97Å; Y63-L71 VanDerWaalsContact CD1-O 3.24Å; Y63-L71 WeakPolarHBondContact CD1-O 3.43Å; Y63-L71 HydrophobicContact CE1-CB 3.48Å; Y63-L71 VanDerWaalsContact CE1-CB 3.48Å; Y63-L71 HydrophobicContact CE1-CD1 4.3Å; Y63-L71 HydrophobicContact CE2-CD1 4.33Å; Y63-L71 PolarHBondContact N-O 3.15Å; Y63-L71 PolarHBondContact O-N 2.87Å; Y63-L71 WeakPolarHBondContact OH-CD1 3.31Å; D65-L71 HydrophobicContact CB-CD1 3.96Å; D69-L71 PolarHBondContact O-N 3.08Å
72P90.4Very high89.3Confident39 Ų3944.7 Ų44.725%0.25324%0.238SC..EExtended strand (participates in β ladder)trans-69.5141.4179.529-34.3000111.6V61V61-P72 CarbonylContact O-C 3.11Å; V61-P72 WeakPolarHBondContact O-CA 3.47Å
73I91.2Very high89.3Confident3 Ų344.7 Ų44.72%0.01524%0.238CC..EExtended strand (participates in β ladder)trans-104.6106.2165.2-51.2-175000107.3F41 F44 V61 Y63 Y79 A82 L92F41-I73 HydrophobicContact CD2-CG2 3.54Å; F41-I73 HydrophobicContact CE2-CB 4.19Å; F41-I73 HydrophobicContact CE2-CG2 3.46Å; F41-I73 VanDerWaalsContact CE2-CG2 3.46Å; F41-I73 WeakPolarHBondContact CE2-O 3.36Å; F41-I73 WeakPolarHBondContact CZ-O 3.43Å; F44-I73 HydrophobicContact CE1-CD1 4.47Å; V61-I73 HydrophobicContact CB-CB 4.2Å; V61-I73 HydrophobicContact CG1-CB 3.98Å; V61-I73 HydrophobicContact CG1-CD1 4.11Å; V61-I73 HydrophobicContact CG1-CG1 4.28Å; V61-I73 PolarHBondContact O-N 2.94Å; Y63-I73 HydrophobicContact CD1-CD1 3.92Å; Y63-I73 HydrophobicContact CD1-CG1 3.52Å; Y63-I73 HydrophobicContact CE1-CG1 4.21Å; Y63-I73 HydrophobicContact CG-CD1 4.34Å; Y63-I73 HydrophobicContact CG-CG1 4.38Å; I73-Y79 HydrophobicContact CG2-CD2 4.47Å; I73-A82 HydrophobicContact CD1-CB 3.64Å; I73-A82 HydrophobicContact CG1-CB 4.23Å; I73-L92 HydrophobicContact CD1-CD2 3.74Å
74N88.1Confident89.1Confident35 Ų3551.1 Ų51.119%0.18727%0.266CS..  trans-138.45.2-174.660.215.3000113.7N78 P139 K140 D141N74-N78 PolarHBondContact OD1-ND2 2.83Å; N74-P139 PolarHBondContact ND2-O 3.43Å; N74-K140 WeakPolarHBondContact ND2-CA 3.37Å; N74-D141 PolarHBondContact OD1-N 2.98Å
75N87.8Confident89Confident13 Ų1352 Ų527%0.0727%0.271CS..SBendtrans-156.3172.3175.165.711.7000110.2D77 N78 Y79 D141 F142N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.34Å; N75-D77 PolarHBondContact OD1-N 3.49Å; N75-N78 PolarHBondContact O-N 3.05Å; N75-N78 WeakPolarHBondContact OD1-CB 3.45Å; N75-N78 PolarHBondContact OD1-N 2.97Å; N75-N78 PolarHBondContact OD1-ND2 3.28Å; N75-N78 VanDerWaalsContact OD1-ND2 3.13Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 2.96Å; N75-Y79 VanDerWaalsContact O-N 3.07Å; N75-D141 HydrophobicContact CB-CB 4.34Å; N75-D141 VanDerWaalsContact CB-OD1 3.31Å; N75-D141 WeakPolarHBondContact CB-OD1 3.26Å; N75-D141 WeakPolarHBondContact ND2-CA 3.36Å; N75-D141 PolarHBondContact ND2-OD1 3.5Å; N75-F142 PolarHBondContact ND2-O 2.78Å
76D89.3Confident89Confident75 Ų7550.8 Ų50.840%0.40127%0.266SS..Hα-helixtrans-61.2-37.9-179.6-73-14.7000112.7F41 Y79 L80F41-D76 WeakPolarHBondContact CB-OD1 3.41Å; F41-D76 PolarHBondContact N-OD1 2.99Å; D76-Y79 PolarHBondContact O-N 3.48Å; D76-L80 WeakPolarHBondContact O-CB 3.4Å; D76-L80 PolarHBondContact O-N 3.23Å
77D87Confident88.8Confident92 Ų9252.5 Ų52.549%0.49227%0.272SS..Hα-helixtrans-68.2-44.5-178.5-70.6-37.6000112.1N75 Y79 L80 K81N75-D77 VanDerWaalsContact C-N 3.33Å; N75-D77 PolarHBondContact O-N 3.34Å; N75-D77 PolarHBondContact OD1-N 3.49Å; D77-Y79 VanDerWaalsContact C-N 3.32Å; D77-L80 PolarHBondContact O-N 2.93Å; D77-K81 VanDerWaalsContact O-CB 3.31Å; D77-K81 WeakPolarHBondContact O-CB 3.44Å; D77-K81 PolarHBondContact O-N 3.1Å
78N90.5Very high88.6Confident31 Ų3149.4 Ų49.417%0.16626%0.264CS..Hα-helixtrans-65.8-38.5176.6-71.1-24.5000110.7N74 N75 K81 A82N74-N78 PolarHBondContact OD1-ND2 2.83Å; N75-N78 PolarHBondContact O-N 3.05Å; N75-N78 WeakPolarHBondContact OD1-CB 3.45Å; N75-N78 PolarHBondContact OD1-N 2.97Å; N75-N78 PolarHBondContact OD1-ND2 3.28Å; N75-N78 VanDerWaalsContact OD1-ND2 3.13Å; N78-K81 PolarHBondContact O-N 2.65Å; N78-A82 WeakPolarHBondContact O-CB 3.25Å; N78-A82 PolarHBondContact O-N 3.02Å
79Y92.3Very high88.9Confident3 Ų350.1 Ų50.11%0.01226%0.264CS..Hα-helixtrans-62-49.9173.6172.1-123.2000111.4L33 P38 F44 I73 N75 D76 D77 K81 A82 V83L33-Y79 HydrophobicContact CD1-CE2 4.46Å; P38-Y79 HydrophobicContact CB-CE1 3.84Å; P38-Y79 VanDerWaalsContact O-CE1 3.26Å; P38-Y79 WeakPolarHBondContact O-CE1 3.44Å; P38-Y79 PolarHBondContact O-OH 3.1Å; F44-Y79 HydrophobicContact CB-CD2 4.36Å; F44-Y79 HydrophobicContact CB-CE1 4.13Å; F44-Y79 HydrophobicContact CB-CE2 3.82Å; F44-Y79 AromaticContact CD1-CD2 3.46Å; F44-Y79 HydrophobicContact CD1-CD2 3.46Å; F44-Y79 VanDerWaalsContact CD1-CD2 3.46Å; F44-Y79 AromaticContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CE2 3.34Å; F44-Y79 HydrophobicContact CD1-CG 4.35Å; F44-Y79 AromaticContact CD2-CE2 3.67Å; F44-Y79 HydrophobicContact CD2-CE2 3.67Å; F44-Y79 AromaticContact CD2-CZ 3.97Å; F44-Y79 AromaticContact CE1-CD2 3.78Å; F44-Y79 HydrophobicContact CE1-CD2 3.78Å; F44-Y79 AromaticContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE1-CE2 3.68Å; F44-Y79 HydrophobicContact CE2-CE2 4.02Å; F44-Y79 AromaticContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CD2 3.89Å; F44-Y79 HydrophobicContact CG-CE1 4.5Å; F44-Y79 AromaticContact CG-CE2 3.29Å; F44-Y79 HydrophobicContact CG-CE2 3.29Å; F44-Y79 AromaticContact CG-CZ 3.65Å; F44-Y79 HydrophobicContact CZ-CD2 4.48Å; F44-Y79 AromaticContact CZ-CE2 3.99Å; F44-Y79 HydrophobicContact CZ-CE2 3.99Å; I73-Y79 HydrophobicContact CG2-CD2 4.47Å; N75-Y79 WeakPolarHBondContact O-CB 3.38Å; N75-Y79 PolarHBondContact O-N 2.96Å; N75-Y79 VanDerWaalsContact O-N 3.07Å; D76-Y79 PolarHBondContact O-N 3.48Å; D77-Y79 VanDerWaalsContact C-N 3.32Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 3.36Å; Y79-A82 WeakPolarHBondContact O-CB 3.42Å; Y79-A82 PolarHBondContact O-N 2.89Å; Y79-A82 VanDerWaalsContact O-N 3.15Å; Y79-V83 HydrophobicContact CD2-CG2 4.08Å; Y79-V83 HydrophobicContact CE2-CG2 3.59Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.01Å
80L91.1Very high89.3Confident59 Ų5946.7 Ų46.731%0.30925%0.246SC..Hα-helixtrans-60.8-39.3177.9-175.163.2000111.6P38 D76 D77 V83 K84P38-L80 HydrophobicContact CG-CD1 3.68Å; D76-L80 WeakPolarHBondContact O-CB 3.4Å; D76-L80 PolarHBondContact O-N 3.23Å; D77-L80 PolarHBondContact O-N 2.93Å; L80-V83 PolarHBondContact O-N 3.08Å; L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.13Å; L80-K84 WeakPolarHBondContact O-CB 3.42Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.19Å
81K90.6Very high89.6Confident120 Ų12051.2 Ų51.252%0.52226%0.26SS..Hα-helixtrans-65.8-41.4175.8-169.5175.4-179.7-174.50111.8D77 N78 Y79 K84 S85D77-K81 VanDerWaalsContact O-CB 3.31Å; D77-K81 WeakPolarHBondContact O-CB 3.44Å; D77-K81 PolarHBondContact O-N 3.1Å; N78-K81 PolarHBondContact O-N 2.65Å; Y79-K81 VanDerWaalsContact C-N 3.27Å; Y79-K81 PolarHBondContact O-N 3.36Å; K81-K84 PolarHBondContact O-N 3.49Å; K81-S85 VanDerWaalsContact O-CB 3.31Å; K81-S85 WeakPolarHBondContact O-CB 3.34Å; K81-S85 PolarHBondContact O-N 3.23Å; K81-S85 PolarHBondContact O-OG 3.48Å
82A92.8Very high89.9Confident0 Ų048.6 Ų48.60%025%0.247CC..Hα-helixtrans-61-45.3175.800000111.6Y63 I73 N78 Y79 K84 S85 A86 L90Y63-A82 HydrophobicContact CD1-CB 3.61Å; Y63-A82 HydrophobicContact CD2-CB 3.83Å; Y63-A82 HydrophobicContact CE1-CB 3.78Å; Y63-A82 HydrophobicContact CE2-CB 4.01Å; Y63-A82 HydrophobicContact CG-CB 3.62Å; I73-A82 HydrophobicContact CD1-CB 3.64Å; I73-A82 HydrophobicContact CG1-CB 4.23Å; N78-A82 WeakPolarHBondContact O-CB 3.25Å; N78-A82 PolarHBondContact O-N 3.02Å; Y79-A82 WeakPolarHBondContact O-CB 3.42Å; Y79-A82 PolarHBondContact O-N 2.89Å; Y79-A82 VanDerWaalsContact O-N 3.15Å; A82-K84 PolarHBondContact O-N 3.48Å; A82-S85 WeakPolarHBondContact CA-OG 3.1Å; A82-S85 PolarHBondContact O-OG 2.78Å; A82-S85 VanDerWaalsContact O-OG 3.08Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.42Å; A82-A86 VanDerWaalsContact O-N 3.11Å; A82-L90 HydrophobicContact CB-CD1 4.02Å
83V92.5Very high90.1Very high1 Ų149.3 Ų49.31%0.00625%0.246CC..Hα-helixtrans-65.3-40177.3176.60000111.9V18 R35 P38 Y79 L80 L90V18-V83 HydrophobicContact CG2-CG1 3.85Å; R35-V83 HydrophobicContact CG-CG1 4.48Å; P38-V83 HydrophobicContact CB-CB 4.46Å; P38-V83 HydrophobicContact CB-CG1 4.15Å; P38-V83 HydrophobicContact CB-CG2 4.13Å; Y79-V83 HydrophobicContact CD2-CG2 4.08Å; Y79-V83 HydrophobicContact CE2-CG2 3.59Å; Y79-V83 WeakPolarHBondContact O-CG2 3.11Å; Y79-V83 PolarHBondContact O-N 3.01Å; L80-V83 PolarHBondContact O-N 3.08Å; V83-L90 HydrophobicContact CG2-CD2 4.42Å
84K90.3Very high90.1Very high138 Ų13849.7 Ų49.760%0.625%0.248SC*.Hα-helixtrans-70.3-38178.9-76.6175.5178.4175.40113.3L80 K81 A82L80-K84 HydrophobicContact CD1-CD 4.46Å; L80-K84 HydrophobicContact CG-CD 4.13Å; L80-K84 WeakPolarHBondContact O-CB 3.42Å; L80-K84 VanDerWaalsContact O-CG 3.26Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.19Å; K81-K84 PolarHBondContact O-N 3.49Å; A82-K84 PolarHBondContact O-N 3.48Å
85S89.6Confident90.1Very high28 Ų2850.5 Ų50.520%0.19625%0.25CS..Hα-helixtrans-77.3-26.3-178.853.80000113V66 K81 A82 N87V66-S85 WeakPolarHBondContact CG1-O 3.31Å; K81-S85 VanDerWaalsContact O-CB 3.31Å; K81-S85 WeakPolarHBondContact O-CB 3.34Å; K81-S85 PolarHBondContact O-N 3.23Å; K81-S85 PolarHBondContact O-OG 3.48Å; A82-S85 WeakPolarHBondContact CA-OG 3.1Å; A82-S85 PolarHBondContact O-OG 2.78Å; A82-S85 VanDerWaalsContact O-OG 3.08Å; S85-N87 PolarHBondContact O-N 3.11Å
86A88.1Confident90.1Very high6 Ų654.2 Ų54.25%0.0526%0.264CS..  trans-57.2129.2177.300000111.5V18 R35 A82 L90V18-A86 HydrophobicContact CG1-CB 3.62Å; R35-A86 PolarHBondContact NH2-O 3.14Å; A82-A86 WeakPolarHBondContact O-CB 3.39Å; A82-A86 PolarHBondContact O-N 3.42Å; A82-A86 VanDerWaalsContact O-N 3.11Å; A86-L90 HydrophobicContact CB-CB 3.7Å; A86-L90 HydrophobicContact CB-CD1 4.3Å
87N82.2Confident89.7Confident137 Ų13753.6 Ų53.673%0.73326%0.257SS*.SBendtrans-153107.9172.7-1676.9000111.9S85 L89S85-N87 PolarHBondContact O-N 3.11Å; N87-L89 VanDerWaalsContact C-N 3.31Å
88P80.5Confident89Confident78 Ų7856.9 Ų56.951%0.50627%0.27SS..SBendcis-80.2-10.8-18.734-34.6000112.8E19E19-P88 PolarHBondContact N-O 2.85Å
89L89.8Confident87.9Confident32 Ų3260.1 Ų60.117%0.16828%0.284CS..EExtended strand (participates in β ladder)trans-105.5120-167.1-174.468.2000112.2E19 K21 N87 R91E19-L89 HydrophobicContact CB-CD1 3.84Å; E19-L89 CarbonylContact O-C 3.53Å; E19-L89 WeakPolarHBondContact O-CA 3.5Å; K21-L89 HydrophobicContact CB-CD1 3.86Å; K21-L89 HydrophobicContact CB-CD2 4.31Å; K21-L89 HydrophobicContact CB-CG 4.37Å; N87-L89 VanDerWaalsContact C-N 3.31Å; L89-R91 HydrophobicContact CD2-CG 3.89Å; L89-R91 HydrophobicContact CG-CG 4.06Å
90L94.4Very high86.3Confident2 Ų260.4 Ų60.41%0.0129%0.287CS..EExtended strand (participates in β ladder)trans-84.7110.4165.9179.855.8000109.3V18 E19 V20 K21 Y63 A82 V83 A86 L92V18-L90 HydrophobicContact CG1-CB 3.84Å; E19-L90 PolarHBondContact O-N 2.94Å; V20-L90 WeakPolarHBondContact CA-O 3.33Å; V20-L90 HydrophobicContact CG2-CB 4.3Å; V20-L90 HydrophobicContact CG2-CD2 4.29Å; K21-L90 PolarHBondContact N-O 2.68Å; Y63-L90 HydrophobicContact CD2-CD1 4.3Å; Y63-L90 HydrophobicContact CG-CD1 4.31Å; A82-L90 HydrophobicContact CB-CD1 4.02Å; V83-L90 HydrophobicContact CG2-CD2 4.42Å; A86-L90 HydrophobicContact CB-CB 3.7Å; A86-L90 HydrophobicContact CB-CD1 4.3Å; L90-L92 HydrophobicContact CD1-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CD2 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.49Å; L90-L92 HydrophobicContact CG-CD2 3.8Å; L90-L92 HydrophobicContact CG-CG 4.09Å
91R94.7Very high84.8Confident127 Ų12763.1 Ų63.148%0.47930%0.302SS..EExtended strand (participates in β ladder)trans-94.2120.1177.4-63-178.5-178.695.7-0.8109.5K21 Y63 A64 L89 F93K21-R91 WeakPolarHBondContact O-CA 3.47Å; Y63-R91 CarbonylContact C-O 3.58Å; Y63-R91 WeakPolarHBondContact CA-O 3.23Å; A64-R91 HydrophobicContact CB-CB 4.24Å; A64-R91 PolarHBondContact N-O 3.31Å; L89-R91 HydrophobicContact CD2-CG 3.89Å; L89-R91 HydrophobicContact CG-CG 4.06Å; R91-F93 HydrophobicContact CB-CE2 4.35Å
92L95.3Very high83.2Confident1 Ų160.1 Ų60.11%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-114.2145.1-178.8-54.5170.2000111.9V20 K21 K23 F44 L48 A62 I73 L90V20-L92 HydrophobicContact CG1-CD1 3.37Å; V20-L92 HydrophobicContact CG1-CG 4.02Å; K21-L92 PolarHBondContact O-N 3.3Å; K23-L92 PolarHBondContact N-O 3.4Å; F44-L92 HydrophobicContact CE1-CD1 4.33Å; F44-L92 HydrophobicContact CE2-CD1 4.44Å; F44-L92 HydrophobicContact CZ-CD1 3.54Å; L48-L92 HydrophobicContact CD2-CD1 3.9Å; A62-L92 CarbonylContact O-C 3.59Å; A62-L92 VanDerWaalsContact O-CA 3.22Å; A62-L92 WeakPolarHBondContact O-CA 3.26Å; I73-L92 HydrophobicContact CD1-CD2 3.74Å; L90-L92 HydrophobicContact CD1-CD2 3.96Å; L90-L92 HydrophobicContact CD2-CD2 4.09Å; L90-L92 HydrophobicContact CD2-CG 4.49Å; L90-L92 HydrophobicContact CG-CD2 3.8Å; L90-L92 HydrophobicContact CG-CG 4.09Å
93F93.1Very high81.4Confident55 Ų5565.3 Ų65.324%0.24132%0.319CS..EExtended strand (participates in β ladder)trans-124.9119176.2-61.9-94.4000108.2K23 A62 A64 L70 R91 L110K23-F93 HydrophobicContact CB-CD1 4.42Å; K23-F93 HydrophobicContact CD-CD1 4.09Å; K23-F93 HydrophobicContact CD-CE1 4.13Å; A62-F93 PolarHBondContact N-O 3.49Å; A62-F93 PolarHBondContact O-N 2.78Å; A64-F93 HydrophobicContact CB-CE2 4.16Å; L70-F93 HydrophobicContact CD2-CD2 3.35Å; L70-F93 HydrophobicContact CD2-CE2 3.48Å; L70-F93 VanDerWaalsContact CD2-CE2 3.48Å; L70-F93 HydrophobicContact CD2-CG 4.09Å; L70-F93 HydrophobicContact CD2-CZ 4.29Å; R91-F93 HydrophobicContact CB-CE2 4.35Å; F93-L110 HydrophobicContact CE1-CD2 4.35Å; F93-L110 HydrophobicContact CE2-CD2 4.24Å; F93-L110 HydrophobicContact CZ-CD2 3.74Å
94L92.5Very high79.7Confident10 Ų1067.6 Ų67.65%0.05233%0.333CS..EExtended strand (participates in β ladder)trans-108.7130.6-179.4-52.7-176000109.2S22 K23 F24 L48 H52 L60 V61S22-L94 WeakPolarHBondContact OG-CD1 3.4Å; K23-L94 WeakPolarHBondContact O-CB 3.21Å; K23-L94 PolarHBondContact O-N 2.91Å; F24-L94 HydrophobicContact CB-CB 4.11Å; F24-L94 HydrophobicContact CB-CD1 4.37Å; F24-L94 HydrophobicContact CD2-CB 3.77Å; F24-L94 HydrophobicContact CG-CB 4.39Å; L48-L94 HydrophobicContact CB-CD1 4.35Å; L48-L94 HydrophobicContact CD1-CD2 3.95Å; L48-L94 HydrophobicContact CD2-CD1 4.31Å; H52-L94 WeakPolarHBondContact CD2-CD1 3.38Å; H52-L94 WeakPolarHBondContact NE2-CD1 3.38Å; L60-L94 WeakPolarHBondContact O-CA 3.48Å; V61-L94 HydrophobicContact CB-CD2 4.14Å; V61-L94 HydrophobicContact CG1-CD2 3.81Å; V61-L94 HydrophobicContact CG2-CD2 3.86Å
95Q88.6Confident78Confident52 Ų5262.4 Ų62.424%0.24331%0.311CS..EExtended strand (participates in β ladder)trans-133.2141.8176.2-172.4169.211.100110.2L59 L60 K97 E99L59-Q95 CarbonylContact C-O 3.58Å; L59-Q95 WeakPolarHBondContact CA-O 3.39Å; L60-Q95 PolarHBondContact N-O 2.83Å; L60-Q95 PolarHBondContact O-N 2.77Å; Q95-K97 PolarHBondContact O-N 3.42Å; Q95-E99 PolarHBondContact NE2-O 2.85Å
96R87.5Confident75.9Confident91 Ų9164.3 Ų64.334%0.34334%0.335SS..EExtended strand (participates in β ladder)trans-64.8130.3172.5-66.8-170.4-83.1-161.5-4.3109.5F24 V57 E98 E99 A100F24-R96 HydrophobicContact CE2-CG 3.83Å; F24-R96 HydrophobicContact CZ-CG 3.8Å; V57-R96 HydrophobicContact CG1-CB 4.44Å; V57-R96 HydrophobicContact CG1-CG 3.73Å; R96-E98 HydrophobicContact CB-CG 4.35Å; R96-E98 PolarHBondContact O-N 3.36Å; R96-E99 HydrophobicContact CB-CB 4.24Å; R96-E99 HydrophobicContact CB-CG 4.16Å; R96-E99 IonicContact CZ-OE1 3.63Å; R96-E99 IonicContact CZ-OE2 3.8Å; R96-E99 IonicContact NE-OE1 3.72Å; R96-E99 PolarHBondContact NE-OE1 2.84Å; R96-E99 IonicContact NE-OE2 3.84Å; R96-E99 PolarHBondContact NE-OE2 3.41Å; R96-E99 IonicContact NH1-OE1 2.82Å; R96-E99 IonicContact NH2-OE1 2.63Å; R96-E99 PolarHBondContact NH2-OE1 3.28Å; R96-E99 IonicContact NH2-OE2 2.66Å; R96-E99 PolarHBondContact NH2-OE2 3.3Å; R96-E99 CarbonylContact O-C 3.5Å; R96-E99 PolarHBondContact O-N 3.07Å; R96-E99 VanDerWaalsContact O-N 3.14Å; R96-A100 PolarHBondContact O-N 3.35Å; R96-A100 VanDerWaalsContact O-N 3.11Å
97K79.4Confident73.9Confident63 Ų6370 Ų7027%0.27437%0.369SS..G310 helixtrans-62.6-31.3-178.3-173.4-167.1175.1-164.60112.9E58 Q95 E99 A100E58-K97 HydrophobicContact CB-CB 3.97Å; E58-K97 HydrophobicContact CB-CD 4.06Å; E58-K97 WeakPolarHBondContact O-CB 3.47Å; E58-K97 PolarHBondContact O-N 2.87Å; E58-K97 WeakPolarHBondContact OE2-CD 3.36Å; E58-K97 WeakPolarHBondContact OE2-CE 2.9Å; E58-K97 IonicContact OE2-NZ 2.65Å; E58-K97 PolarHBondContact OE2-NZ 3.42Å; Q95-K97 PolarHBondContact O-N 3.42Å; K97-E99 VanDerWaalsContact C-N 3.33Å; K97-A100 WeakPolarHBondContact O-CB 3.39Å; K97-A100 PolarHBondContact O-N 3.16Å
98E72.5Confident72.3Confident160 Ų16066.1 Ų66.175%0.74835%0.349SS*.G310 helixtrans-73.8-23.7177.870.5-169.5159.200113.4R96R96-E98 HydrophobicContact CB-CG 4.35Å; R96-E98 PolarHBondContact O-N 3.36Å
99E67.6Low70.8Confident100 Ų10064.4 Ų64.447%0.46734%0.338SS..G310 helixtrans-103.79.6177.4-55.3-175.6157.100111.9Q95 R96 K97 D101Q95-E99 PolarHBondContact NE2-O 2.85Å; R96-E99 HydrophobicContact CB-CB 4.24Å; R96-E99 HydrophobicContact CB-CG 4.16Å; R96-E99 IonicContact CZ-OE1 3.63Å; R96-E99 IonicContact CZ-OE2 3.8Å; R96-E99 IonicContact NE-OE1 3.72Å; R96-E99 PolarHBondContact NE-OE1 2.84Å; R96-E99 IonicContact NE-OE2 3.84Å; R96-E99 PolarHBondContact NE-OE2 3.41Å; R96-E99 IonicContact NH1-OE1 2.82Å; R96-E99 IonicContact NH2-OE1 2.63Å; R96-E99 PolarHBondContact NH2-OE1 3.28Å; R96-E99 IonicContact NH2-OE2 2.66Å; R96-E99 PolarHBondContact NH2-OE2 3.3Å; R96-E99 CarbonylContact O-C 3.5Å; R96-E99 PolarHBondContact O-N 3.07Å; R96-E99 VanDerWaalsContact O-N 3.14Å; K97-E99 VanDerWaalsContact C-N 3.33Å; E99-D101 PolarHBondContact O-N 3.25Å
100A60.3Low69.1Low9 Ų967.3 Ų67.37%0.07435%0.354CS..  trans-78.9105.7-174.100000110.5L60 R96 K97 Y102L60-A100 HydrophobicContact CD1-CB 3.37Å; L60-A100 HydrophobicContact CG-CB 4.39Å; R96-A100 PolarHBondContact O-N 3.35Å; R96-A100 VanDerWaalsContact O-N 3.11Å; K97-A100 WeakPolarHBondContact O-CB 3.39Å; K97-A100 PolarHBondContact O-N 3.16Å; A100-Y102 VanDerWaalsContact C-N 3.34Å; A100-Y102 HydrophobicContact CB-CE2 4.44Å; A100-Y102 WeakPolarHBondContact O-CD2 3.43Å; A100-Y102 WeakPolarHBondContact O-CE2 3.31Å; A100-Y102 PolarHBondContact O-N 3.38Å
101D58.3Low66.9Low115 Ų11573.2 Ų73.262%0.61539%0.39SS*.  trans-6897.3157.8-78.6-25.6000108E99 T103 T104E99-D101 PolarHBondContact O-N 3.25Å; D101-T103 PolarHBondContact O-N 2.99Å; D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact O-OG1 3.26Å
102Y57.2Low64.7Low58 Ų5874.6 Ų74.623%0.22740%0.395CS..G310 helixtrans-54.3-11.6179.8-72.3-87.3000113.9A100 T104 I135 S137 L138A100-Y102 VanDerWaalsContact C-N 3.34Å; A100-Y102 HydrophobicContact CB-CE2 4.44Å; A100-Y102 WeakPolarHBondContact O-CD2 3.43Å; A100-Y102 WeakPolarHBondContact O-CE2 3.31Å; A100-Y102 PolarHBondContact O-N 3.38Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 3.45Å; Y102-I135 HydrophobicContact CD2-CG2 4.08Å; Y102-I135 HydrophobicContact CE2-CG2 3.51Å; Y102-S137 VanDerWaalsContact CE1-CA 3.41Å; Y102-L138 HydrophobicContact CD1-CB 4.48Å; Y102-L138 HydrophobicContact CD1-CD2 4.1Å; Y102-L138 HydrophobicContact CD1-CG 3.73Å; Y102-L138 HydrophobicContact CE1-CG 4.25Å
103T55.3Low62.6Low109 Ų10984.6 Ų84.667%0.66944%0.438SS*.G310 helixtrans-71.9-17.2174.152.80000114.1D101D101-T103 PolarHBondContact O-N 2.99Å
104T56Low60.5Low49 Ų4988.7 Ų88.730%0.30146%0.456SS..G310 helixtrans-78.2-21.4-174.9-38.80000113D101 Y102D101-T104 PolarHBondContact O-N 2.74Å; D101-T104 PolarHBondContact O-OG1 3.26Å; Y102-T104 VanDerWaalsContact C-N 3.29Å; Y102-T104 PolarHBondContact O-N 3.45Å
105F54.3Low58.2Low28 Ų2895.3 Ų95.312%0.12349%0.491CS..SBendtrans-10798.9-176.5-66.3-98.7000109.8L60 A62 L138L60-F105 HydrophobicContact CB-CE2 4.41Å; L60-F105 HydrophobicContact CB-CZ 4.01Å; L60-F105 HydrophobicContact CD1-CD2 4.42Å; L60-F105 HydrophobicContact CD1-CE2 3.88Å; L60-F105 HydrophobicContact CD1-CZ 4.3Å; A62-F105 HydrophobicContact CB-CD1 4.05Å; A62-F105 HydrophobicContact CB-CE1 3.44Å; A62-F105 VanDerWaalsContact CB-CE1 3.44Å; A62-F105 HydrophobicContact CB-CZ 4.49Å; F105-L138 HydrophobicContact CB-CD1 3.37Å; F105-L138 HydrophobicContact CB-CD2 4.04Å; F105-L138 HydrophobicContact CB-CG 4.33Å; F105-L138 HydrophobicContact CD1-CD1 4.18Å; F105-L138 HydrophobicContact CD2-CD1 3.87Å; F105-L138 HydrophobicContact CG-CD1 3.57Å
106G46.4Very low56.3Low68 Ų6898.2 Ų98.270%0.70151%0.513SS*.SBendtrans148.8-15170.600000116.2
107T47Very low54.4Low126 Ų12698.7 Ų98.777%0.77353%0.526SS*.SBendtrans-143.3-6.3178.8520000115.4S109T107-S109 PolarHBondContact O-N 3.24Å
108D47.3Very low52.8Low56 Ų56102.9 Ų102.930%0.29955%0.55SS.*  trans-91.895.7-177.3-66.9-35.4000110.7
109S48.5Very low51.4Low41 Ų41100 Ų10029%0.28755%0.547SS..BIsolated β-bridgetrans-57141.9150.5179.90000107.5T107 T111 R112T107-S109 PolarHBondContact O-N 3.24Å; S109-T111 PolarHBondContact O-N 2.92Å; S109-T111 PolarHBondContact OG-OG1 3.41Å; S109-R112 PolarHBondContact O-N 3.46Å
110L54.3Low50.5Low94 Ų9499.4 Ų99.449%0.49256%0.56SS.*THydrogen-bonded Turntrans-50.6-7.1179.6-69.7169.4000115.2A64 L70 F93A64-L110 HydrophobicContact CB-CD1 4.02Å; L70-L110 HydrophobicContact CD1-CD2 4.2Å; L70-L110 HydrophobicContact CD2-CD2 4.08Å; L70-L110 HydrophobicContact CG-CD2 4.22Å; F93-L110 HydrophobicContact CE1-CD2 4.35Å; F93-L110 HydrophobicContact CE2-CD2 4.24Å; F93-L110 HydrophobicContact CZ-CD2 3.74Å
111T48.6Very low50Low125 Ų125104.7 Ų104.777%0.76759%0.591SS**THydrogen-bonded Turntrans-93.8-4.3-175.458.20000115.4S109S109-T111 PolarHBondContact O-N 2.92Å; S109-T111 PolarHBondContact OG-OG1 3.41Å
112R49.4Very low49.5Very low156 Ų156106.4 Ų106.459%0.58960%0.6SS**  trans-13179.6-175.6-152.1-178.4-153.9-161.913.1115S109 K114S109-R112 PolarHBondContact O-N 3.46Å; R112-K114 HydrophobicContact CG-CG 4.45Å; R112-K114 PolarHBondContact O-N 3.38Å; R112-K114 VanDerWaalsContact O-N 3.14Å
113K49.7Very low48.9Very low212 Ų212111 Ų11192%0.92263%0.627SS**  trans-66.9107.2155.9-74.7-178.1176.6179.50108.8
114K49.8Very low48.5Very low141 Ų141117.5 Ų117.561%0.61364%0.639SS**  trans-106.7122.9165.6-107.3-175.7172.2-1750109.2R112 T116R112-K114 HydrophobicContact CG-CG 4.45Å; R112-K114 PolarHBondContact O-N 3.38Å; R112-K114 VanDerWaalsContact O-N 3.14Å; K114-T116 PolarHBondContact O-N 3.07Å; K114-T116 VanDerWaalsContact O-N 3.17Å
115N44.7Very low47.9Very low148 Ų148121 Ų12179%0.79166%0.663SS**  trans-59.4109.6177.5-79.2-11.1000111.9V117N115-V117 HydrophobicContact CB-CG2 4.45Å; N115-V117 PolarHBondContact O-N 3.42Å; N115-V117 VanDerWaalsContact O-N 3.12Å
116T48.5Very low47.4Very low113 Ų113126.2 Ų126.269%0.69369%0.692SS**  trans-83.555.7172.7-46.40000111.4K114K114-T116 PolarHBondContact O-N 3.07Å; K114-T116 VanDerWaalsContact O-N 3.17Å
117V46.7Very low47.7Very low101 Ų101128.1 Ų128.161%0.61269%0.692SS**  trans-97-12.3177-176.40000112.1N115N115-V117 HydrophobicContact CB-CG2 4.45Å; N115-V117 PolarHBondContact O-N 3.42Å; N115-V117 VanDerWaalsContact O-N 3.12Å
118L46.3Very low48.1Very low152 Ų152128.9 Ų128.980%0.79669%0.691SS**G310 helixtrans-88.8-11-173.8-62.5179000115.2
119S42.9Very low48.3Very low98 Ų98135.6 Ų135.669%0.68572%0.718SS**G310 helixtrans-83.4-12.2178.9-52.90000113.7
120A48.5Very low48.6Very low88 Ų88143 Ų14373%0.72775%0.745SS**G310 helixtrans-89.8-8.7-174.600000114.7
121V50Low49.1Very low120 Ų120147.4 Ų147.473%0.72776%0.76SS**SBendtrans-100.4-14.2-170.5-178.50000113.7
122L47.4Very low49.7Very low152 Ų152146.8 Ų146.880%0.79676%0.758SS**SBendtrans-102.34-171.5-70.9178.2000116.8
123L44.6Very low50.7Low154 Ų154144.7 Ų144.781%0.80677%0.765SS**  trans-128.592.7177.3-66.7171.1000111.1P125L123-P125 WeakPolarHBondContact O-CD 3.47Å
124R46.7Very low52Low246 Ų246141 Ų14193%0.92876%0.759SS**PPolyproline II helixtrans-59.1124161.2-90-178.5177.7177.2-0.4108.5D126R124-D126 PolarHBondContact O-N 3.03Å
125P44.6Very low53.3Low123 Ų123140.1 Ų140.180%0.79976%0.761SS**PPolyproline II helixtrans-75.3120.9177.9-7.923.8000110.2L123L123-P125 WeakPolarHBondContact O-CD 3.47Å
126D44.2Very low54.8Low136 Ų136139.9 Ų139.973%0.72776%0.758SS**PPolyproline II helixtrans-70.4125.3164.7-171.4-24.4000108.9R124 N128R124-D126 PolarHBondContact O-N 3.03Å; D126-N128 VanDerWaalsContact C-N 3.26Å; D126-N128 PolarHBondContact O-N 3.28Å; D126-N128 VanDerWaalsContact O-N 3.16Å
127P51.9Low56.1Low108 Ų108137.1 Ų137.170%0.70174%0.743SS**THydrogen-bonded Turntrans-71.4-6.4-168.325.6-34.3000115.8
128N55.5Low57.4Low142 Ų142133.8 Ų133.876%0.75972%0.721SS**THydrogen-bonded Turntrans-110.39.6-159.9-125.2-7.9000119.3D126D126-N128 VanDerWaalsContact C-N 3.26Å; D126-N128 PolarHBondContact O-N 3.28Å; D126-N128 VanDerWaalsContact O-N 3.16Å
129K52.6Low58.9Low198 Ų198130.4 Ų130.486%0.86171%0.709SS**  trans-147.677170.2-65.9-175.7-175.8169.70112.2K131K129-K131 VanDerWaalsContact C-N 3.25Å; K129-K131 PolarHBondContact O-N 3.35Å
130K54.8Low60.4Low196 Ų196131.1 Ų131.185%0.85270%0.699SS**  trans-79.772.1171.6-63.9-171-178-178.10110.8
131K63.2Low61.9Low187 Ų187129.8 Ų129.881%0.81368%0.68SS**PPolyproline II helixtrans-74.6124.1152.5-75.3-174.3179-177.30106.1K129K129-K131 VanDerWaalsContact C-N 3.25Å; K129-K131 PolarHBondContact O-N 3.35Å
132P61.7Low63.3Low111 Ų111130.1 Ų130.172%0.72167%0.672SS**PPolyproline II helixtrans-56.6140.7174.724.2-32000108.8V134P132-V134 PolarHBondContact O-N 3.13Å
133P70.8Confident65.1Low112 Ų112128.4 Ų128.473%0.72766%0.655SS**PPolyproline II helixtrans-58.9135.8177.424.9-32.5000109.3I135P133-I135 PolarHBondContact O-N 2.82Å; P133-I135 VanDerWaalsContact O-N 3.15Å
134V77.1Confident67.2Low134 Ų134124.9 Ų124.981%0.81264%0.641SS**  trans-70.5110173.5177.50000107.7P132 I136P132-V134 PolarHBondContact O-N 3.13Å; V134-I136 HydrophobicContact CG1-CG1 4.36Å
135I76.1Confident69.4Low124 Ų124116.2 Ų116.264%0.63662%0.616SS**  trans-88.1110.2178.4-55.5174.5000108.1Y102 P133Y102-I135 HydrophobicContact CD2-CG2 4.08Å; Y102-I135 HydrophobicContact CE2-CG2 3.51Å; P133-I135 PolarHBondContact O-N 2.82Å; P133-I135 VanDerWaalsContact O-N 3.15Å
136I76.5Confident71.8Confident142 Ų142112.3 Ų112.373%0.72859%0.591SS**PPolyproline II helixtrans-90.5123.6172.9-55.4177.6000107.7V134V134-I136 HydrophobicContact CG1-CG1 4.36Å
137S75.4Confident74.2Confident55 Ų55107.8 Ų107.839%0.38557%0.57SS.*PPolyproline II helixtrans-74.1166-178.369.30000112.7Y102Y102-S137 VanDerWaalsContact CE1-CA 3.41Å
138L75Confident76.3Confident31 Ų31105.7 Ų105.716%0.16255%0.553CS.*PPolyproline II helixtrans-54.1143.7164.8-63.2176.4000110Y102 F105 K140Y102-L138 HydrophobicContact CD1-CB 4.48Å; Y102-L138 HydrophobicContact CD1-CD2 4.1Å; Y102-L138 HydrophobicContact CD1-CG 3.73Å; Y102-L138 HydrophobicContact CE1-CG 4.25Å; F105-L138 HydrophobicContact CB-CD1 3.37Å; F105-L138 HydrophobicContact CB-CD2 4.04Å; F105-L138 HydrophobicContact CB-CG 4.33Å; F105-L138 HydrophobicContact CD1-CD1 4.18Å; F105-L138 HydrophobicContact CD2-CD1 3.87Å; F105-L138 HydrophobicContact CG-CD1 3.57Å; L138-K140 WeakPolarHBondContact O-CG 3.21Å; L138-K140 PolarHBondContact O-N 2.84Å
139P76.7Confident78.2Confident81 Ų81101 Ų10153%0.52653%0.527SS..PPolyproline II helixtrans-62.3135.1172.516.8-20.6000110.4N74 F142N74-P139 PolarHBondContact ND2-O 3.43Å; P139-F142 HydrophobicContact CB-CD2 4.37Å; P139-F142 HydrophobicContact CB-CE1 4.24Å; P139-F142 HydrophobicContact CB-CE2 3.32Å; P139-F142 HydrophobicContact CB-CZ 3.27Å; P139-F142 HydrophobicContact CG-CE2 3.44Å; P139-F142 VanDerWaalsContact CG-CE2 3.44Å; P139-F142 HydrophobicContact CG-CZ 3.29Å; P139-F142 WeakPolarHBondContact O-CE2 3.39Å
140K76.1Confident80.1Confident113 Ų11394.6 Ų94.649%0.49150%0.502SS..  trans-113.9153.8-172.9-63.3-173.9179.2-172.20110.2N74 L138 F142N74-K140 WeakPolarHBondContact ND2-CA 3.37Å; L138-K140 WeakPolarHBondContact O-CG 3.21Å; L138-K140 PolarHBondContact O-N 2.84Å; K140-F142 PolarHBondContact O-N 3.42Å
141D78.7Confident81.9Confident60 Ų6090 Ų9032%0.32149%0.49SS..SBendtrans55.550.6171.7-168.319.3000113.1N74 N75 R143N74-D141 PolarHBondContact OD1-N 2.98Å; N75-D141 HydrophobicContact CB-CB 4.34Å; N75-D141 VanDerWaalsContact CB-OD1 3.31Å; N75-D141 WeakPolarHBondContact CB-OD1 3.26Å; N75-D141 WeakPolarHBondContact ND2-CA 3.36Å; N75-D141 PolarHBondContact ND2-OD1 3.5Å; D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 IonicContact OD1-NH1 4Å; D141-R143 IonicContact OD2-CZ 2.61Å; D141-R143 IonicContact OD2-NH1 3.64Å; D141-R143 PolarHBondContact OD2-NH1 3.44Å; D141-R143 IonicContact OD2-NH2 3.84Å
142F80.8Confident83.3Confident127 Ų12788.7 Ų88.756%0.55749%0.492SS*.  trans-67.3124.9175.2-82-81.8000110.4N75 P139 K140N75-F142 PolarHBondContact ND2-O 2.78Å; P139-F142 HydrophobicContact CB-CD2 4.37Å; P139-F142 HydrophobicContact CB-CE1 4.24Å; P139-F142 HydrophobicContact CB-CE2 3.32Å; P139-F142 HydrophobicContact CB-CZ 3.27Å; P139-F142 HydrophobicContact CG-CE2 3.44Å; P139-F142 VanDerWaalsContact CG-CE2 3.44Å; P139-F142 HydrophobicContact CG-CZ 3.29Å; P139-F142 WeakPolarHBondContact O-CE2 3.39Å; K140-F142 PolarHBondContact O-N 3.42Å
143R83.9Confident84.8Confident116 Ų11689.5 Ų89.544%0.43849%0.489SS..  trans-147.9135.4-178.365.6-156.3-177.6-158.8-17.6111D141 V145 H166D141-R143 PolarHBondContact O-N 3.16Å; D141-R143 IonicContact OD1-NH1 4Å; D141-R143 IonicContact OD2-CZ 2.61Å; D141-R143 IonicContact OD2-NH1 3.64Å; D141-R143 PolarHBondContact OD2-NH1 3.44Å; D141-R143 IonicContact OD2-NH2 3.84Å; R143-V145 PolarHBondContact O-N 3.15Å; R143-H166 VanDerWaalsContact CB-NE2 3.34Å; R143-H166 WeakPolarHBondContact CB-NE2 3.38Å; R143-H166 WeakPolarHBondContact CD-CD2 3.49Å; R143-H166 VanDerWaalsContact CG-CD2 3.42Å; R143-H166 WeakPolarHBondContact CG-CD2 3.1Å; R143-H166 WeakPolarHBondContact CG-NE2 3.46Å
144P89.4Confident85.9Confident80 Ų8085.5 Ų85.552%0.51946%0.462SS..  trans-69.8122.8-178.428.3-32.9000109.3Y164 H166P144-Y164 HydrophobicContact CB-CD2 4.22Å; P144-Y164 HydrophobicContact CB-CE2 4.19Å; P144-Y164 HydrophobicContact CG-CD2 4.4Å; P144-Y164 HydrophobicContact CG-CE2 4.43Å; P144-Y164 HydrophobicContact CG-CG 4.46Å; P144-Y164 WeakPolarHBondContact O-CB 3.44Å; P144-Y164 VanDerWaalsContact O-CD2 3.32Å; P144-Y164 WeakPolarHBondContact O-CD2 3.43Å; P144-H166 PolarHBondContact O-CE1 2.97Å; P144-H166 PolarHBondContact O-NE2 2.97Å
145V92.1Very high86.7Confident65 Ų6582.7 Ų82.739%0.39445%0.446SS..  trans-89.8-45.8-176179.50000112.2R143 Y164 L205 T209R143-V145 PolarHBondContact O-N 3.15Å; V145-Y164 PolarHBondContact O-N 2.88Å; V145-L205 HydrophobicContact CG1-CD1 3.42Å; V145-L205 VanDerWaalsContact CG1-CD1 3.42Å; V145-T209 HydrophobicContact CG1-CG2 4.23Å
146S94.9Very high87.3Confident40 Ų4085 Ų8528%0.2845%0.454SS..EExtended strand (participates in β ladder)trans-157.3164.4178.562.40000112.2R162 T209S146-R162 CarbonylContact C-O 3.54Å; S146-R162 WeakPolarHBondContact CA-O 3.33Å; S146-R162 WeakPolarHBondContact CB-O 3.42Å; S146-T209 WeakPolarHBondContact OG-CG2 3.37Å
147S95.5Very high88Confident42 Ų4280.8 Ų80.829%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-152.6151.6170.5550000111.1R162S147-R162 PolarHBondContact N-O 3.3Å; S147-R162 PolarHBondContact O-N 3.08Å
148I95.4Very high88.9Confident64 Ų6480.3 Ų80.333%0.32843%0.427SS..EExtended strand (participates in β ladder)trans-90132.6165.1-53176.1000107.1V151 R159 R160 L211I148-V151 HydrophobicContact CB-CG2 4.47Å; I148-V151 HydrophobicContact CG2-CG2 3.56Å; I148-R159 HydrophobicContact CG2-CG 4.17Å; I148-R160 WeakPolarHBondContact CA-O 3.46Å; I148-L211 HydrophobicContact CD1-CD2 3.73Å; I148-L211 HydrophobicContact CG1-CD1 3.96Å; I148-L211 HydrophobicContact CG1-CD2 3.78Å; I148-L211 HydrophobicContact CG1-CG 4.49Å
149I95.1Very high89.9Confident42 Ų4279.6 Ų79.622%0.21542%0.422CS..EExtended strand (participates in β ladder)trans-125.1163.1-179.762172.8000110.6V151 R160 I246I149-V151 PolarHBondContact O-N 3.28Å; I149-V151 VanDerWaalsContact O-N 3.12Å; I149-R160 HydrophobicContact CD1-CG 3.79Å; I149-R160 HydrophobicContact CG1-CB 3.97Å; I149-R160 HydrophobicContact CG1-CG 3.52Å; I149-R160 PolarHBondContact N-O 3.06Å; I149-I246 HydrophobicContact CD1-CD1 4.45Å; I149-I246 HydrophobicContact CD1-CG2 3.87Å
150D93.4Very high90.9Very high65 Ų6577.8 Ų77.835%0.34841%0.405SS..  trans57.229.3171.1-60.4-28.1000115.2D152 I153 L154 R160D150-D152 PolarHBondContact O-N 3.25Å; D150-I153 HydrophobicContact CB-CD1 3.76Å; D150-I153 HydrophobicContact CB-CG1 3.58Å; D150-I153 WeakPolarHBondContact O-CG1 3.29Å; D150-I153 PolarHBondContact O-N 3.12Å; D150-L154 HydrophobicContact CB-CD1 3.92Å; D150-L154 HydrophobicContact CB-CG 4.18Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 2.66Å; D150-R160 VanDerWaalsContact OD2-CD 3.29Å; D150-R160 WeakPolarHBondContact OD2-CD 3.49Å; D150-R160 IonicContact OD2-CZ 3.44Å; D150-R160 IonicContact OD2-NE 3.75Å; D150-R160 IonicContact OD2-NH1 3.01Å; D150-R160 PolarHBondContact OD2-NH1 2.63Å
151V91.6Very high91.9Very high98 Ų9872.4 Ų72.459%0.59438%0.381SS*.THydrogen-bonded Turntrans-57.6-36.6-178.3-178.40000112.1I148 I149I148-V151 HydrophobicContact CB-CG2 4.47Å; I148-V151 HydrophobicContact CG2-CG2 3.56Å; I149-V151 PolarHBondContact O-N 3.28Å; I149-V151 VanDerWaalsContact O-N 3.12Å
152D92.3Very high92.8Very high161 Ų16173 Ų7386%0.86138%0.379SS*.THydrogen-bonded Turntrans-85.6-15.7-173.8-54.3-41.6000113.7D150D150-D152 PolarHBondContact O-N 3.25Å
153I94Very high93.5Very high127 Ų12767 Ų6765%0.65135%0.352SS*.THydrogen-bonded Turntrans-109.2-15.6-177.165.7168.9000112.8D150D150-I153 HydrophobicContact CB-CD1 3.76Å; D150-I153 HydrophobicContact CB-CG1 3.58Å; D150-I153 WeakPolarHBondContact O-CG1 3.29Å; D150-I153 PolarHBondContact O-N 3.12Å
154L93.2Very high93.9Very high29 Ų2964 Ų6415%0.15234%0.341CS..SBendtrans-89.1149.1174.9-73.1169.5000110.6D150 H158 R160 T248D150-L154 HydrophobicContact CB-CD1 3.92Å; D150-L154 HydrophobicContact CB-CG 4.18Å; D150-L154 WeakPolarHBondContact O-CB 3.45Å; D150-L154 WeakPolarHBondContact O-CG 3.37Å; D150-L154 PolarHBondContact O-N 2.66Å; L154-H158 HydrophobicContact CB-CB 4.4Å; L154-R160 HydrophobicContact CD1-CB 3.35Å; L154-R160 HydrophobicContact CD1-CG 4.44Å; L154-T248 HydrophobicContact CD2-CG2 4.45Å
155P93.6Very high94Very high75 Ų7561.1 Ų61.149%0.48732%0.321SS..  trans-59.3144.7170.2-16.227.4000110.2T157 H158P155-T157 PolarHBondContact O-N 2.97Å; P155-H158 WeakPolarHBondContact CB-ND1 3.32Å; P155-H158 WeakPolarHBondContact CD-ND1 3.38Å; P155-H158 VanDerWaalsContact CG-ND1 3.33Å; P155-H158 WeakPolarHBondContact CG-ND1 3.34Å; P155-H158 WeakPolarHBondContact O-CB 3.09Å; P155-H158 PolarHBondContact O-N 3.35Å
156E89.8Confident93.6Very high171 Ų17160.3 Ų60.380%0.79931%0.313SS*.THydrogen-bonded Turntrans-54.6-26.3-176.5-173.8179.3-178.800113.8H158 N257E156-H158 PolarHBondContact O-N 3.36Å; E156-N257 PolarHBondContact O-ND2 2.92Å
157T91.4Very high92.6Very high54 Ų5460.9 Ų60.933%0.33133%0.325SS..THydrogen-bonded Turntrans-74.7-5.2176.962.50000114P155 P251P155-T157 PolarHBondContact O-N 2.97Å; T157-P251 VanDerWaalsContact O-CD 3.23Å; T157-P251 WeakPolarHBondContact O-CD 3.42Å
158H93.8Very high91Very high46 Ų4666 Ų6621%0.21334%0.344CS..  trans-114.5154.8-177.4-59.9103.1000111.4L154 P155 E156 L219 T248 V249L154-H158 HydrophobicContact CB-CB 4.4Å; P155-H158 WeakPolarHBondContact CB-ND1 3.32Å; P155-H158 WeakPolarHBondContact CD-ND1 3.38Å; P155-H158 VanDerWaalsContact CG-ND1 3.33Å; P155-H158 WeakPolarHBondContact CG-ND1 3.34Å; P155-H158 WeakPolarHBondContact O-CB 3.09Å; P155-H158 PolarHBondContact O-N 3.35Å; E156-H158 PolarHBondContact O-N 3.36Å; H158-L219 WeakPolarHBondContact CD2-CD1 3.29Å; H158-L219 WeakPolarHBondContact NE2-CD1 3.26Å; H158-T248 HydrophobicContact CB-CG2 4.48Å; H158-V249 CarbonylContact C-O 3.59Å; H158-V249 WeakPolarHBondContact CA-O 3.26Å
159R95.7Very high89.9Confident16 Ų1671.6 Ų71.66%0.0637%0.369CS..EExtended strand (participates in β ladder)trans-138.6123.2174.9-174.5-172.6-64.9-177.1-4.7108.6I148 V161 L211 V249 P251 N256 N257I148-R159 HydrophobicContact CG2-CG 4.17Å; R159-V161 HydrophobicContact CG-CG2 3.79Å; R159-L211 WeakPolarHBondContact CD-O 3.42Å; R159-L211 PolarHBondContact NH1-O 3.4Å; R159-V249 HydrophobicContact CB-CG2 4.2Å; R159-V249 PolarHBondContact N-O 3.42Å; R159-V249 PolarHBondContact O-N 3.35Å; R159-P251 HydrophobicContact CB-CG 4.06Å; R159-N256 PolarHBondContact NH2-O 2.89Å; R159-N257 PolarHBondContact NE-OD1 3.27Å; R159-N257 PolarHBondContact NH2-OD1 2.95Å
160R97.3Very high89.3Confident43 Ų4377 Ų7716%0.16239%0.391CS..EExtended strand (participates in β ladder)trans-100.2118.1171.2-173.3178.3-73.2168.3-3.8109.6I148 I149 D150 L154 E220 I246 I247 T248I148-R160 WeakPolarHBondContact CA-O 3.46Å; I149-R160 HydrophobicContact CD1-CG 3.79Å; I149-R160 HydrophobicContact CG1-CB 3.97Å; I149-R160 HydrophobicContact CG1-CG 3.52Å; I149-R160 PolarHBondContact N-O 3.06Å; D150-R160 VanDerWaalsContact OD2-CD 3.29Å; D150-R160 WeakPolarHBondContact OD2-CD 3.49Å; D150-R160 IonicContact OD2-CZ 3.44Å; D150-R160 IonicContact OD2-NE 3.75Å; D150-R160 IonicContact OD2-NH1 3.01Å; D150-R160 PolarHBondContact OD2-NH1 2.63Å; L154-R160 HydrophobicContact CD1-CB 3.35Å; L154-R160 HydrophobicContact CD1-CG 4.44Å; R160-E220 IonicContact CZ-OE2 3.13Å; R160-E220 IonicContact NE-OE2 3.67Å; R160-E220 IonicContact NH2-OE2 2.8Å; R160-E220 PolarHBondContact NH2-OE2 2.82Å; R160-I246 HydrophobicContact CG-CG2 3.71Å; R160-I247 WeakPolarHBondContact CA-O 3.36Å; R160-T248 HydrophobicContact CB-CG2 4.49Å; R160-T248 PolarHBondContact NE-OG1 3.24Å
161V97.2Very high89.1Confident0 Ų076.7 Ų76.70%039%0.392CS..EExtended strand (participates in β ladder)trans-112.6130.3-175.2-178.20000108.5R159 L163 L211 L212 I246 I247R159-V161 HydrophobicContact CG-CG2 3.79Å; V161-L163 HydrophobicContact CG1-CD2 3.78Å; V161-L163 HydrophobicContact CG1-CG 4.07Å; V161-L211 HydrophobicContact CG1-CB 3.89Å; V161-L211 HydrophobicContact CG1-CD1 3.73Å; V161-L211 HydrophobicContact CG1-CG 4.48Å; V161-L211 HydrophobicContact CG2-CB 3.91Å; V161-L212 HydrophobicContact CB-CD2 4.45Å; V161-L212 HydrophobicContact CG2-CD2 4.12Å; V161-I246 CarbonylContact O-C 3.56Å; V161-I246 WeakPolarHBondContact O-CA 3.39Å; V161-I247 HydrophobicContact CB-CG2 4.03Å; V161-I247 PolarHBondContact N-O 2.76Å; V161-I247 PolarHBondContact O-N 2.77Å
162R97.5Very high89.2Confident72 Ų7272.1 Ų72.127%0.27237%0.365SS..EExtended strand (participates in β ladder)trans-102.8125.1169-173.3172.2-171.1-179.8-0.3109.2S146 S147 Y164 N244 L245 I246S146-R162 CarbonylContact C-O 3.54Å; S146-R162 WeakPolarHBondContact CA-O 3.33Å; S146-R162 WeakPolarHBondContact CB-O 3.42Å; S147-R162 PolarHBondContact N-O 3.3Å; S147-R162 PolarHBondContact O-N 3.08Å; R162-Y164 WeakPolarHBondContact CD-OH 3.37Å; R162-Y164 HydrophobicContact CG-CE2 3.92Å; R162-Y164 PolarHBondContact NE-OH 2.98Å; R162-Y164 VanDerWaalsContact NE-OH 3.08Å; R162-Y164 PolarHBondContact NH1-OH 2.61Å; R162-N244 PolarHBondContact NE-OD1 3.16Å; R162-N244 PolarHBondContact NH2-ND2 2.99Å; R162-N244 PolarHBondContact NH2-OD1 3.31Å; R162-N244 VanDerWaalsContact NH2-OD1 3.07Å; R162-L245 CarbonylContact C-O 3.6Å; R162-L245 VanDerWaalsContact CA-O 3.29Å; R162-L245 WeakPolarHBondContact CA-O 3.41Å; R162-I246 HydrophobicContact CB-CG1 4.28Å; R162-I246 HydrophobicContact CG-CG1 3.93Å
163L95.8Very high89.2Confident0 Ų064.6 Ų64.60%033%0.325CS..EExtended strand (participates in β ladder)trans-114.5132.5177.4-62.3-178.5000110.2V161 F174 L205 T209 L212 L245V161-L163 HydrophobicContact CG1-CD2 3.78Å; V161-L163 HydrophobicContact CG1-CG 4.07Å; L163-F174 HydrophobicContact CD1-CE1 4.32Å; L163-L205 HydrophobicContact CB-CD2 4.36Å; L163-T209 HydrophobicContact CD2-CG2 3.78Å; L163-L212 HydrophobicContact CD1-CD1 3.95Å; L163-L245 HydrophobicContact CB-CB 4.46Å; L163-L245 PolarHBondContact N-O 2.73Å; L163-L245 PolarHBondContact O-N 3.26Å
164Y93.5Very high89.4Confident53 Ų5358.8 Ų58.821%0.20830%0.295CS..EExtended strand (participates in β ladder)trans-109.1111.9175.8-63.7-88.8000109P144 V145 R162 H166P144-Y164 HydrophobicContact CB-CD2 4.22Å; P144-Y164 HydrophobicContact CB-CE2 4.19Å; P144-Y164 HydrophobicContact CG-CD2 4.4Å; P144-Y164 HydrophobicContact CG-CE2 4.43Å; P144-Y164 HydrophobicContact CG-CG 4.46Å; P144-Y164 WeakPolarHBondContact O-CB 3.44Å; P144-Y164 VanDerWaalsContact O-CD2 3.32Å; P144-Y164 WeakPolarHBondContact O-CD2 3.43Å; V145-Y164 PolarHBondContact O-N 2.88Å; R162-Y164 WeakPolarHBondContact CD-OH 3.37Å; R162-Y164 HydrophobicContact CG-CE2 3.92Å; R162-Y164 PolarHBondContact NE-OH 2.98Å; R162-Y164 VanDerWaalsContact NE-OH 3.08Å; R162-Y164 PolarHBondContact NH1-OH 2.61Å; Y164-H166 PolarHBondContact O-CE1 3.4Å; Y164-H166 PolarHBondContact O-N 3.05Å; Y164-H166 PolarHBondContact O-ND1 2.9Å
165K90.6Very high89.6Confident21 Ų2158.6 Ų58.69%0.09129%0.293CS..  trans-82.3117.4176.8174.5-179.5154.4166.60109.4G167 Q168 K170 L172 L205 S242 H243K165-G167 WeakPolarHBondContact CE-O 3.5Å; K165-Q168 VanDerWaalsContact CE-O 3.29Å; K165-Q168 WeakPolarHBondContact CE-O 3.4Å; K165-Q168 PolarHBondContact NZ-O 2.83Å; K165-K170 WeakPolarHBondContact CD-O 3.36Å; K165-K170 WeakPolarHBondContact CE-O 3.29Å; K165-K170 PolarHBondContact NZ-O 2.96Å; K165-L172 HydrophobicContact CB-CD2 4.36Å; K165-L205 HydrophobicContact CB-CD2 4.38Å; K165-S242 WeakPolarHBondContact CB-O 3.42Å; K165-H243 PolarHBondContact N-O 3.24Å
166H83.8Confident89.8Confident48 Ų4855.3 Ų55.322%0.22227%0.271CS..  trans-100.5128.2175.3-54.584.3000109.7R143 P144 Y164R143-H166 VanDerWaalsContact CB-NE2 3.34Å; R143-H166 WeakPolarHBondContact CB-NE2 3.38Å; R143-H166 WeakPolarHBondContact CD-CD2 3.49Å; R143-H166 VanDerWaalsContact CG-CD2 3.42Å; R143-H166 WeakPolarHBondContact CG-CD2 3.1Å; R143-H166 WeakPolarHBondContact CG-NE2 3.46Å; P144-H166 PolarHBondContact O-CE1 2.97Å; P144-H166 PolarHBondContact O-NE2 2.97Å; Y164-H166 PolarHBondContact O-CE1 3.4Å; Y164-H166 PolarHBondContact O-N 3.05Å; Y164-H166 PolarHBondContact O-ND1 2.9Å
167G73.4Confident90.1Very high52 Ų5251.4 Ų51.454%0.53625%0.249SC..SBendtrans83.1138.4-172.200000112.1K165 E169K165-G167 WeakPolarHBondContact CE-O 3.5Å; G167-E169 VanDerWaalsContact C-N 3.31Å; G167-E169 PolarHBondContact O-N 2.82Å
168Q62.7Low90.4Very high150 Ų15053.3 Ų53.370%0.70126%0.257SS*.SBendtrans-72.6-26.1-174.8-64.9-160.9-33.500113K165K165-Q168 VanDerWaalsContact CE-O 3.29Å; K165-Q168 WeakPolarHBondContact CE-O 3.4Å; K165-Q168 PolarHBondContact NZ-O 2.83Å
169E71.6Confident90.4Very high181 Ų18152.1 Ų52.185%0.84626%0.257SS*.SBendtrans-89.5-27.1-169.1-163.3173.8-175.600114.4G167G167-E169 VanDerWaalsContact C-N 3.31Å; G167-E169 PolarHBondContact O-N 2.82Å
170K82.8Confident90.2Very high156 Ų15655.5 Ų55.568%0.67828%0.283SS*.SBendtrans-76.6128.8-175.8-70.3-171.9177.8-174.90111.3K165K165-K170 WeakPolarHBondContact CD-O 3.36Å; K165-K170 WeakPolarHBondContact CE-O 3.29Å; K165-K170 PolarHBondContact NZ-O 2.96Å
171P89.9Confident89.9Confident58 Ų5853.8 Ų53.838%0.37728%0.278SS..  trans-68.6166.417429.7-34.9000111G173P171-G173 PolarHBondContact O-N 2.83Å; P171-G173 VanDerWaalsContact O-N 3.17Å
172L92.8Very high89.5Confident2 Ų257.9 Ų57.91%0.0130%0.302CS..  trans-62.8-18.7174.4-68.2166.1000112.9K165 F174 L205 A206 L245K165-L172 HydrophobicContact CB-CD2 4.36Å; L172-F174 HydrophobicContact CB-CD1 3.87Å; L172-F174 HydrophobicContact CB-CE1 3.64Å; L172-F174 HydrophobicContact CD1-CE1 4.03Å; L172-F174 HydrophobicContact CD1-CZ 4.38Å; L172-F174 HydrophobicContact CG-CE1 4.41Å; L172-L205 HydrophobicContact CD2-CD2 4.15Å; L172-L205 WeakPolarHBondContact O-CB 3.5Å; L172-A206 WeakPolarHBondContact O-CB 3.49Å; L172-A206 PolarHBondContact O-N 3.38Å; L172-L245 HydrophobicContact CD1-CD2 3.75Å; L172-L245 HydrophobicContact CD2-CD2 4.46Å
173G94Very high89Confident3 Ų358 Ų583%0.03130%0.303CS..SBendtrans8326.3171.300000114.6P171 V201P171-G173 PolarHBondContact O-N 2.83Å; P171-G173 VanDerWaalsContact O-N 3.17Å; G173-V201 PolarHBondContact O-N 2.69Å
174F96.8Very high88.6Confident4 Ų464 Ų642%0.01834%0.34CS..EExtended strand (participates in β ladder)trans-146.6164.6170.969.6-84.8000110.6L163 L172 I176 I197 R199 L200 A206 L212 M238 L245 I247L163-F174 HydrophobicContact CD1-CE1 4.32Å; L172-F174 HydrophobicContact CB-CD1 3.87Å; L172-F174 HydrophobicContact CB-CE1 3.64Å; L172-F174 HydrophobicContact CD1-CE1 4.03Å; L172-F174 HydrophobicContact CD1-CZ 4.38Å; L172-F174 HydrophobicContact CG-CE1 4.41Å; F174-I176 HydrophobicContact CD2-CG2 4.18Å; F174-I176 HydrophobicContact CE2-CG2 3.95Å; F174-I197 HydrophobicContact CB-CG2 4.39Å; F174-I197 HydrophobicContact CD2-CD1 4.42Å; F174-I197 HydrophobicContact CD2-CG1 4.4Å; F174-R199 WeakPolarHBondContact CA-O 3.46Å; F174-L200 HydrophobicContact CB-CD2 3.52Å; F174-A206 HydrophobicContact CB-CB 3.91Å; F174-A206 HydrophobicContact CD1-CB 3.61Å; F174-A206 HydrophobicContact CG-CB 4.15Å; F174-L212 HydrophobicContact CD1-CD1 4.32Å; F174-L212 HydrophobicContact CE1-CD1 4.28Å; F174-M238 HydrophobicContact CE2-CE 4.26Å; F174-M238 HydrophobicContact CE2-SD 3.75Å; F174-M238 HydrophobicContact CZ-CE 4.49Å; F174-M238 HydrophobicContact CZ-SD 3.79Å; F174-L245 HydrophobicContact CE1-CD2 4.2Å; F174-L245 HydrophobicContact CZ-CD2 4Å; F174-I247 HydrophobicContact CE2-CD1 4.42Å; F174-I247 HydrophobicContact CZ-CD1 4.31Å
175Y97.1Very high88.1Confident26 Ų2663 Ų6310%0.10234%0.338CS..EExtended strand (participates in β ladder)trans-129.8150.8-178.8-57.5-106.1000109I197 S198 R199 V201 T403 V404Y175-I197 CarbonylContact O-C 3.45Å; Y175-I197 WeakPolarHBondContact O-CA 3.19Å; Y175-S198 VanDerWaalsContact CB-OG 3.25Å; Y175-S198 WeakPolarHBondContact CB-OG 3.05Å; Y175-S198 PolarHBondContact O-N 2.86Å; Y175-S198 PolarHBondContact O-OG 2.99Å; Y175-R199 HydrophobicContact CD2-CB 4.49Å; Y175-R199 HydrophobicContact CD2-CG 3.18Å; Y175-R199 VanDerWaalsContact CD2-CZ 3.49Å; Y175-R199 VanDerWaalsContact CD2-NE 3.32Å; Y175-R199 HydrophobicContact CE2-CG 3.89Å; Y175-R199 HydrophobicContact CG-CG 3.62Å; Y175-R199 PolarHBondContact N-O 3.04Å; Y175-R199 PolarHBondContact OH-NH1 2.93Å; Y175-R199 PolarHBondContact OH-NH2 2.84Å; Y175-V201 HydrophobicContact CD2-CG2 4.42Å; Y175-V201 HydrophobicContact CE2-CG2 3.43Å; Y175-V201 VanDerWaalsContact CE2-CG2 3.43Å; Y175-T403 WeakPolarHBondContact CD1-O 3.08Å; Y175-V404 HydrophobicContact CD1-CB 4.43Å; Y175-V404 HydrophobicContact CD1-CG2 4.42Å; Y175-V404 VanDerWaalsContact CE1-CA 3.4Å; Y175-V404 HydrophobicContact CE1-CB 3.65Å; Y175-V404 HydrophobicContact CE1-CG1 3.58Å; Y175-V404 HydrophobicContact CE1-CG2 3.56Å
176I97.9Very high87.9Confident5 Ų568.4 Ų68.43%0.02638%0.376CS..EExtended strand (participates in β ladder)trans-114.7159.4177.555.6172.1000110.4F174 I195 F196 V218 L231 V234 M238F174-I176 HydrophobicContact CD2-CG2 4.18Å; F174-I176 HydrophobicContact CE2-CG2 3.95Å; I176-I195 HydrophobicContact CB-CG2 3.84Å; I176-I195 HydrophobicContact CD1-CG2 3.99Å; I176-I195 HydrophobicContact CG1-CG2 4.45Å; I176-I195 HydrophobicContact CG2-CG2 4.18Å; I176-F196 CarbonylContact C-O 3.46Å; I176-F196 WeakPolarHBondContact CA-O 3.23Å; I176-V218 HydrophobicContact CG2-CG2 4.35Å; I176-L231 HydrophobicContact CB-CD1 4.24Å; I176-L231 HydrophobicContact CD1-CD1 3.82Å; I176-L231 HydrophobicContact CG1-CD1 3.75Å; I176-V234 HydrophobicContact CD1-CB 4.29Å; I176-V234 HydrophobicContact CD1-CG1 3.86Å; I176-M238 HydrophobicContact CD1-CE 4.31Å; I176-M238 HydrophobicContact CD1-SD 4.17Å; I176-M238 HydrophobicContact CG2-CE 4.17Å; I176-M238 HydrophobicContact CG2-SD 4.36Å
177R97.3Very high88Confident89 Ų8974 Ų7434%0.33640%0.402SS..EExtended strand (participates in β ladder)trans-144.8159.5175.263.1175.917470.91.9110.1F196 N215R177-F196 HydrophobicContact CG-CB 4.25Å; R177-F196 PolarHBondContact N-O 2.99Å; R177-F196 PolarHBondContact O-N 3.08Å; R177-N215 PolarHBondContact NH2-OD1 2.78Å
178D96.4Very high88.8Confident95 Ų9573.2 Ų73.251%0.50839%0.394SS..EExtended strand (participates in β ladder)trans-69.4155.2164.8-69.7-45.6000111.4I195D178-I195 VanDerWaalsContact OD1-CD1 3.25Å; D178-I195 WeakPolarHBondContact OD1-CD1 3.12Å
179G94Very high90.2Very high21 Ų2172.6 Ų72.622%0.21640%0.395CS..EExtended strand (participates in β ladder)trans-168.1-175174.700000111.4G194G179-G194 CarbonylContact C-O 3.6Å; G179-G194 PolarHBondContact N-O 3.11Å; G179-G194 PolarHBondContact O-N 3.19Å
180S92.7Very high91.2Very high86 Ų8668.5 Ų68.560%0.60138%0.375SS*.EExtended strand (participates in β ladder)trans-117.9125175.8-530000109.8V192S180-V192 CarbonylContact C-O 3.59Å; S180-V192 WeakPolarHBondContact CA-O 3.22Å
181S89.6Confident91.6Very high7 Ų768.7 Ų68.75%0.04938%0.376CS..EExtended strand (participates in β ladder)trans-99.5136171.1-170.30000109.2V192 E217S181-V192 PolarHBondContact N-O 2.94Å; S181-V192 WeakPolarHBondContact O-CG2 3.49Å; S181-V192 PolarHBondContact O-N 2.91Å; S181-E217 WeakPolarHBondContact CB-OE1 2.84Å; S181-E217 VanDerWaalsContact OG-CD 3.22Å; S181-E217 PolarHBondContact OG-OE1 3.24Å; S181-E217 PolarHBondContact OG-OE2 3.33Å
182V89.1Confident91.6Very high86 Ų8667.2 Ų67.252%0.52137%0.366SS..EExtended strand (participates in β ladder)trans-89.5119173.8-179.10000107.7L189 E190 K191V182-L189 HydrophobicContact CG1-CB 4.48Å; V182-L189 HydrophobicContact CG1-CD2 3.96Å; V182-E190 WeakPolarHBondContact CA-O 3.31Å; V182-K191 HydrophobicContact CG2-CG 4.15Å
183R87.1Confident91.7Very high75 Ų7572.4 Ų72.428%0.28340%0.4SS..EExtended strand (participates in β ladder)trans-121.6150.9179.2-62.5-168.8-175.9178.3-2.5110.4T185 E190 V192 E217R183-T185 PolarHBondContact O-N 2.79Å; R183-E190 PolarHBondContact N-O 2.75Å; R183-E190 PolarHBondContact O-N 3.03Å; R183-V192 HydrophobicContact CB-CG2 4.34Å; R183-V192 HydrophobicContact CG-CG2 3.75Å; R183-E217 IonicContact CZ-OE1 2.74Å; R183-E217 IonicContact NE-OE1 3.05Å; R183-E217 IonicContact NH2-OE1 2.77Å; R183-E217 PolarHBondContact NH2-OE1 3.14Å
184V87.1Confident91.7Very high127 Ų12772.6 Ų72.677%0.7740%0.402SS*.EExtended strand (participates in β ladder)trans-85.7106.4170.7-177.40000106.8L189V184-L189 HydrophobicContact CG2-CD2 3.76Å
185T84.2Confident91.8Very high30 Ų3072.7 Ų72.718%0.18440%0.403CS..EExtended strand (participates in β ladder)trans-98163.3171.464.40000109.3R183 Q187 G188 E190R183-T185 PolarHBondContact O-N 2.79Å; T185-Q187 PolarHBondContact O-N 3.47Å; T185-Q187 VanDerWaalsContact O-N 3.1Å; T185-G188 PolarHBondContact N-O 2.8Å; T185-G188 PolarHBondContact O-N 3Å; T185-G188 VanDerWaalsContact O-O 3.07Å; T185-G188 PolarHBondContact OG1-O 2.97Å; T185-E190 HydrophobicContact CG2-CB 4.05Å
186P85.9Confident91.8Very high135 Ų13572.5 Ų72.588%0.87740%0.403SS*.THydrogen-bonded Turntrans-56.7-23.5174.3-2635.9000113.8
187Q85.1Confident91.8Very high166 Ų16672.3 Ų72.378%0.77640%0.402SS*.THydrogen-bonded Turntrans-86.1-5175.4-58.698.4-1200114.2T185T185-Q187 PolarHBondContact O-N 3.47Å; T185-Q187 VanDerWaalsContact O-N 3.1Å
188G90.9Very high91.8Very high35 Ų3569.6 Ų69.636%0.36140%0.396SS..EExtended strand (participates in β ladder)trans129.8-151.5178.100000113.7T185T185-G188 PolarHBondContact N-O 2.8Å; T185-G188 PolarHBondContact O-N 3Å; T185-G188 VanDerWaalsContact O-O 3.07Å; T185-G188 PolarHBondContact OG1-O 2.97Å
189L91.9Very high91.8Very high138 Ų13870 Ų7072%0.72339%0.391SS*.EExtended strand (participates in β ladder)trans-86.5115.8173.9-75166.3000109.4V182 V184V182-L189 HydrophobicContact CG1-CB 4.48Å; V182-L189 HydrophobicContact CG1-CD2 3.96Å; V184-L189 HydrophobicContact CG2-CD2 3.76Å
190E92.1Very high91.8Very high94 Ų9470.7 Ų70.744%0.43939%0.389SS..EExtended strand (participates in β ladder)trans-119.7142.5-178.6-169173.7-179.400111.2V182 R183 T185 V192V182-E190 WeakPolarHBondContact CA-O 3.31Å; R183-E190 PolarHBondContact N-O 2.75Å; R183-E190 PolarHBondContact O-N 3.03Å; T185-E190 HydrophobicContact CG2-CB 4.05Å; E190-V192 HydrophobicContact CG-CG1 4.3Å
191K91.2Very high92Very high160 Ų16068.4 Ų68.470%0.69637%0.372SS*.EExtended strand (participates in β ladder)trans-87.2107.5169.4-71.9-177.4-179.9-1780108.3V182V182-K191 HydrophobicContact CG2-CG 4.15Å
192V91.4Very high92.2Very high27 Ų2773.3 Ų73.316%0.16440%0.403CS..EExtended strand (participates in β ladder)trans-101.9147.9176.1-60.30000110.4S180 S181 R183 E190S180-V192 CarbonylContact C-O 3.59Å; S180-V192 WeakPolarHBondContact CA-O 3.22Å; S181-V192 PolarHBondContact N-O 2.94Å; S181-V192 WeakPolarHBondContact O-CG2 3.49Å; S181-V192 PolarHBondContact O-N 2.91Å; R183-V192 HydrophobicContact CB-CG2 4.34Å; R183-V192 HydrophobicContact CG-CG2 3.75Å; E190-V192 HydrophobicContact CG-CG1 4.3Å
193P93.3Very high92.2Very high111 Ų11172.2 Ų72.272%0.72141%0.409SS*.EExtended strand (participates in β ladder)trans-57.4138.9169.3-2333.9000111.2
194G95.1Very high92.5Very high8 Ų869.1 Ų69.18%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-148.9157.6178.400000111.8G179 F196G179-G194 CarbonylContact C-O 3.6Å; G179-G194 PolarHBondContact N-O 3.11Å; G179-G194 PolarHBondContact O-N 3.19Å; G194-F196 WeakPolarHBondContact O-CD2 3.35Å; G194-F196 WeakPolarHBondContact O-CE2 3.48Å
195I97.8Very high92.8Very high5 Ų564.6 Ų64.63%0.02637%0.372CS..EExtended strand (participates in β ladder)trans-103.3134.5180-55.1-59.3000108.9I176 D178 E217 V218 V226 L231 V234I176-I195 HydrophobicContact CB-CG2 3.84Å; I176-I195 HydrophobicContact CD1-CG2 3.99Å; I176-I195 HydrophobicContact CG1-CG2 4.45Å; I176-I195 HydrophobicContact CG2-CG2 4.18Å; D178-I195 VanDerWaalsContact OD1-CD1 3.25Å; D178-I195 WeakPolarHBondContact OD1-CD1 3.12Å; I195-E217 CarbonylContact O-C 3.53Å; I195-E217 WeakPolarHBondContact O-CA 3.21Å; I195-V218 HydrophobicContact CB-CB 4.23Å; I195-V218 HydrophobicContact CG2-CB 4.19Å; I195-V218 HydrophobicContact CG2-CG2 4.28Å; I195-V218 PolarHBondContact O-N 3.47Å; I195-V226 HydrophobicContact CB-CG2 4.45Å; I195-V226 HydrophobicContact CG1-CB 4.48Å; I195-V226 HydrophobicContact CG1-CG2 4.22Å; I195-L231 HydrophobicContact CD1-CD1 3.96Å; I195-L231 HydrophobicContact CG2-CD1 4.32Å; I195-V234 HydrophobicContact CG1-CG2 4.26Å; I195-V234 HydrophobicContact CG2-CG1 4.4Å
196F97.8Very high93.3Very high23 Ų2363.2 Ų63.210%0.10136%0.363CS..EExtended strand (participates in β ladder)trans-130.5149.3-176.4-62.4-94.6000111.2I176 R177 G194 S198 D216 E217I176-F196 CarbonylContact C-O 3.46Å; I176-F196 WeakPolarHBondContact CA-O 3.23Å; R177-F196 HydrophobicContact CG-CB 4.25Å; R177-F196 PolarHBondContact N-O 2.99Å; R177-F196 PolarHBondContact O-N 3.08Å; G194-F196 WeakPolarHBondContact O-CD2 3.35Å; G194-F196 WeakPolarHBondContact O-CE2 3.48Å; F196-S198 PolarHBondContact O-N 3.28Å; F196-D216 CarbonylContact C-O 3.49Å; F196-D216 VanDerWaalsContact CA-O 3.32Å; F196-D216 WeakPolarHBondContact CA-O 3.38Å; F196-E217 HydrophobicContact CD1-CB 3.88Å; F196-E217 HydrophobicContact CD1-CG 4.28Å; F196-E217 HydrophobicContact CE1-CB 3.63Å; F196-E217 HydrophobicContact CE1-CG 3.8Å; F196-E217 HydrophobicContact CZ-CB 4.37Å; F196-E217 HydrophobicContact CZ-CG 4.02Å
197I97.7Very high93.7Very high0 Ų060.8 Ų60.80%034%0.34CS..EExtended strand (participates in β ladder)trans-70.4118.5168.7-59.5-175.3000108.7F174 Y175 L200 L212 A213 N215 D216 V218F174-I197 HydrophobicContact CB-CG2 4.39Å; F174-I197 HydrophobicContact CD2-CD1 4.42Å; F174-I197 HydrophobicContact CD2-CG1 4.4Å; Y175-I197 CarbonylContact O-C 3.45Å; Y175-I197 WeakPolarHBondContact O-CA 3.19Å; I197-L200 HydrophobicContact CG2-CD2 3.99Å; I197-L212 HydrophobicContact CD1-CB 3.91Å; I197-L212 HydrophobicContact CD1-CD1 4.25Å; I197-L212 HydrophobicContact CD1-CD2 4.14Å; I197-L212 HydrophobicContact CD1-CG 4.32Å; I197-A213 WeakPolarHBondContact CB-O 3.43Å; I197-N215 PolarHBondContact O-N 2.98Å; I197-D216 HydrophobicContact CD1-CB 4.1Å; I197-D216 HydrophobicContact CG1-CB 4.36Å; I197-D216 PolarHBondContact N-O 2.86Å; I197-V218 HydrophobicContact CG1-CG2 4.24Å
198S97.2Very high94Very high32 Ų3257 Ų5722%0.22433%0.332CS..EExtended strand (participates in β ladder)trans-87.8-41-177.257.30000112.8Y175 F196 V214Y175-S198 VanDerWaalsContact CB-OG 3.25Å; Y175-S198 WeakPolarHBondContact CB-OG 3.05Å; Y175-S198 PolarHBondContact O-N 2.86Å; Y175-S198 PolarHBondContact O-OG 2.99Å; F196-S198 PolarHBondContact O-N 3.28Å; S198-V214 VanDerWaalsContact O-CG1 3.25Å; S198-V214 WeakPolarHBondContact O-CG1 3.43Å
199R96.3Very high94.1Very high105 Ų10556.5 Ų56.540%0.39632%0.322SS..EExtended strand (participates in β ladder)trans-155.4157.5178.669.9-169176.9105.9-17.6111.3F174 Y175F174-R199 WeakPolarHBondContact CA-O 3.46Å; Y175-R199 HydrophobicContact CD2-CB 4.49Å; Y175-R199 HydrophobicContact CD2-CG 3.18Å; Y175-R199 VanDerWaalsContact CD2-CZ 3.49Å; Y175-R199 VanDerWaalsContact CD2-NE 3.32Å; Y175-R199 HydrophobicContact CE2-CG 3.89Å; Y175-R199 HydrophobicContact CG-CG 3.62Å; Y175-R199 PolarHBondContact N-O 3.04Å; Y175-R199 PolarHBondContact OH-NH1 2.93Å; Y175-R199 PolarHBondContact OH-NH2 2.84Å
200L95.5Very high94.2Very high35 Ų3552.5 Ų52.518%0.18332%0.315CS..EExtended strand (participates in β ladder)trans-109146.1170.2-60.8177.7000109.3F174 I197 A206 E207 L212 V214F174-L200 HydrophobicContact CB-CD2 3.52Å; I197-L200 HydrophobicContact CG2-CD2 3.99Å; L200-A206 HydrophobicContact CD2-CB 4.1Å; L200-E207 HydrophobicContact CB-CB 4.18Å; L200-E207 HydrophobicContact CB-CG 4.45Å; L200-E207 HydrophobicContact CD1-CB 4.37Å; L200-E207 HydrophobicContact CD1-CG 4.34Å; L200-L212 WeakPolarHBondContact CD1-O 3.34Å; L200-V214 HydrophobicContact CG-CG2 4.12Å
201V95.4Very high94.3Very high38 Ų3849 Ų4923%0.2330%0.299CS..  trans-79.7125.6171.8178.90000108.4G173 Y175 G203 G204 E207G173-V201 PolarHBondContact O-N 2.69Å; Y175-V201 HydrophobicContact CD2-CG2 4.42Å; Y175-V201 HydrophobicContact CE2-CG2 3.43Å; Y175-V201 VanDerWaalsContact CE2-CG2 3.43Å; V201-G203 PolarHBondContact O-N 2.96Å; V201-G204 WeakPolarHBondContact O-CA 3.17Å; V201-G204 PolarHBondContact O-N 3.39Å; V201-E207 WeakPolarHBondContact O-CB 3.02Å
202P93.3Very high94.6Very high110 Ų11041.7 Ų41.771%0.71427%0.267SS*.THydrogen-bonded Turntrans-56.5126172.6-26.936.4000112.3G204 E207P202-G204 PolarHBondContact O-N 2.88Å; P202-E207 WeakPolarHBondContact CA-OE2 3.27Å
203G91Very high94.8Very high63 Ų6342 Ų4265%0.64927%0.273SS*.THydrogen-bonded Turntrans67.98.4-173.600000114.5V201 E207V201-G203 PolarHBondContact O-N 2.96Å; G203-E207 PolarHBondContact N-OE2 3.17Å
204G92.3Very high94.9Very high10 Ų1039.4 Ų39.410%0.10326%0.255CS..  trans-71.2167.1175.700000112.2V201 P202 A206 E207 S208V201-G204 WeakPolarHBondContact O-CA 3.17Å; V201-G204 PolarHBondContact O-N 3.39Å; P202-G204 PolarHBondContact O-N 2.88Å; G204-A206 PolarHBondContact O-N 2.72Å; G204-E207 PolarHBondContact O-N 3.34Å; G204-S208 VanDerWaalsContact O-CB 3.27Å; G204-S208 WeakPolarHBondContact O-CB 3.42Å; G204-S208 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-OG 3.38Å
205L93.3Very high94.9Very high32 Ų3243 Ų4317%0.16827%0.272CS..Hα-helixtrans-58.2-52.1-179.9174.165.9000111.3V145 L163 K165 L172 E207 S208 T209V145-L205 HydrophobicContact CG1-CD1 3.42Å; V145-L205 VanDerWaalsContact CG1-CD1 3.42Å; L163-L205 HydrophobicContact CB-CD2 4.36Å; K165-L205 HydrophobicContact CB-CD2 4.38Å; L172-L205 HydrophobicContact CD2-CD2 4.15Å; L172-L205 WeakPolarHBondContact O-CB 3.5Å; L205-E207 PolarHBondContact O-N 2.86Å; L205-S208 PolarHBondContact O-N 3.45Å; L205-T209 HydrophobicContact CD1-CG2 4.31Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 2.78Å
206A94.5Very high94.9Very high0 Ų043 Ų430%027%0.272CS..Hα-helixtrans-60-46.2-179.600000113.3L172 F174 L200 G204 T209 L212L172-A206 WeakPolarHBondContact O-CB 3.49Å; L172-A206 PolarHBondContact O-N 3.38Å; F174-A206 HydrophobicContact CB-CB 3.91Å; F174-A206 HydrophobicContact CD1-CB 3.61Å; F174-A206 HydrophobicContact CG-CB 4.15Å; L200-A206 HydrophobicContact CD2-CB 4.1Å; G204-A206 PolarHBondContact O-N 2.72Å; A206-T209 PolarHBondContact O-N 3.35Å; A206-T209 PolarHBondContact O-OG1 2.97Å; A206-L212 HydrophobicContact CB-CD1 4.08Å
207E94.1Very high94.9Very high84 Ų8442.3 Ų42.339%0.39327%0.269SS..Hα-helixtrans-63.4-45.4178-166.2-167.7-126.800111.6L200 V201 P202 G203 G204 L205 T209 G210L200-E207 HydrophobicContact CB-CB 4.18Å; L200-E207 HydrophobicContact CB-CG 4.45Å; L200-E207 HydrophobicContact CD1-CB 4.37Å; L200-E207 HydrophobicContact CD1-CG 4.34Å; V201-E207 WeakPolarHBondContact O-CB 3.02Å; P202-E207 WeakPolarHBondContact CA-OE2 3.27Å; G203-E207 PolarHBondContact N-OE2 3.17Å; G204-E207 PolarHBondContact O-N 3.34Å; L205-E207 PolarHBondContact O-N 2.86Å; E207-T209 PolarHBondContact O-N 3.17Å; E207-T209 VanDerWaalsContact O-N 3.14Å; E207-G210 PolarHBondContact O-N 2.82Å
208S92.7Very high94.9Very high86 Ų8642.4 Ų42.460%0.60127%0.27SS*.Hα-helixtrans-61.1-26.7-179-590000112.9G204 L205G204-S208 VanDerWaalsContact O-CB 3.27Å; G204-S208 WeakPolarHBondContact O-CB 3.42Å; G204-S208 PolarHBondContact O-N 3.31Å; G204-S208 PolarHBondContact O-OG 3.38Å; L205-S208 PolarHBondContact O-N 3.45Å
209T92.9Very high94.8Very high25 Ų2542.1 Ų42.115%0.15327%0.265CS..Hα-helixtrans-76.5-26.6177.771.10000112.3V145 S146 L163 L205 A206 E207 L211V145-T209 HydrophobicContact CG1-CG2 4.23Å; S146-T209 WeakPolarHBondContact OG-CG2 3.37Å; L163-T209 HydrophobicContact CD2-CG2 3.78Å; L205-T209 HydrophobicContact CD1-CG2 4.31Å; L205-T209 WeakPolarHBondContact O-CG2 3.49Å; L205-T209 PolarHBondContact O-N 2.78Å; A206-T209 PolarHBondContact O-N 3.35Å; A206-T209 PolarHBondContact O-OG1 2.97Å; E207-T209 PolarHBondContact O-N 3.17Å; E207-T209 VanDerWaalsContact O-N 3.14Å; T209-L211 PolarHBondContact O-N 3.31Å; T209-L211 VanDerWaalsContact O-N 3.08Å; T209-L211 PolarHBondContact OG1-N 3.08Å
210G93.8Very high94.9Very high55 Ų5539 Ų3957%0.56726%0.255SS*.THydrogen-bonded Turntrans62.77.6-173.100000114.6E207E207-G210 PolarHBondContact O-N 2.82Å
211L95Very high95Very high20 Ų2037.3 Ų37.311%0.10525%0.247CC..SBendtrans-89-18-176.3-62.9-176.8000113.2I148 R159 V161 T209I148-L211 HydrophobicContact CD1-CD2 3.73Å; I148-L211 HydrophobicContact CG1-CD1 3.96Å; I148-L211 HydrophobicContact CG1-CD2 3.78Å; I148-L211 HydrophobicContact CG1-CG 4.49Å; R159-L211 WeakPolarHBondContact CD-O 3.42Å; R159-L211 PolarHBondContact NH1-O 3.4Å; V161-L211 HydrophobicContact CG1-CB 3.89Å; V161-L211 HydrophobicContact CG1-CD1 3.73Å; V161-L211 HydrophobicContact CG1-CG 4.48Å; V161-L211 HydrophobicContact CG2-CB 3.91Å; T209-L211 PolarHBondContact O-N 3.31Å; T209-L211 VanDerWaalsContact O-N 3.08Å; T209-L211 PolarHBondContact OG1-N 3.08Å
212L95.8Very high95.1Very high7 Ų737.9 Ų37.94%0.03725%0.248CC..  trans-119.6143.3177.8-62178.9000109.6V161 L163 F174 I197 L200 A206 I247 V249V161-L212 HydrophobicContact CB-CD2 4.45Å; V161-L212 HydrophobicContact CG2-CD2 4.12Å; L163-L212 HydrophobicContact CD1-CD1 3.95Å; F174-L212 HydrophobicContact CD1-CD1 4.32Å; F174-L212 HydrophobicContact CE1-CD1 4.28Å; I197-L212 HydrophobicContact CD1-CB 3.91Å; I197-L212 HydrophobicContact CD1-CD1 4.25Å; I197-L212 HydrophobicContact CD1-CD2 4.14Å; I197-L212 HydrophobicContact CD1-CG 4.32Å; L200-L212 WeakPolarHBondContact CD1-O 3.34Å; A206-L212 HydrophobicContact CB-CD1 4.08Å; L212-I247 HydrophobicContact CD1-CG2 4.38Å; L212-I247 HydrophobicContact CD2-CG2 4.17Å; L212-V249 HydrophobicContact CD2-CG1 3.94Å; L212-V249 HydrophobicContact CD2-CG2 4.04Å
213A95.6Very high95.2Very high34 Ų3435.5 Ų35.528%0.28124%0.244SC..  trans-132.5158.8178.300000111.7I197 D216I197-A213 WeakPolarHBondContact CB-O 3.43Å; A213-D216 PolarHBondContact N-OD2 2.72Å; A213-D216 WeakPolarHBondContact O-CB 3.15Å; A213-D216 VanDerWaalsContact O-CG 3.23Å; A213-D216 PolarHBondContact O-N 2.83Å
214V95.9Very high95.4Very high56 Ų5636.5 Ų36.534%0.33923%0.234SC..THydrogen-bonded Turntrans-61.5139.1170.6-179.30000109.5S198 L200 D216S198-V214 VanDerWaalsContact O-CG1 3.25Å; S198-V214 WeakPolarHBondContact O-CG1 3.43Å; L200-V214 HydrophobicContact CG-CG2 4.12Å; V214-D216 VanDerWaalsContact C-N 3.3Å
215N96.1Very high95.6Very high84 Ų8441.9 Ų41.945%0.44926%0.256SS..THydrogen-bonded Turntrans74.92.3-174.2-53.2-55000116.2R177 I197 E217 A252R177-N215 PolarHBondContact NH2-OD1 2.78Å; I197-N215 PolarHBondContact O-N 2.98Å; N215-E217 PolarHBondContact O-N 3.18Å; N215-A252 HydrophobicContact CB-CB 3.82Å
216D96.9Very high95.8Very high3 Ų340.7 Ų40.72%0.01625%0.25CC..PPolyproline II helixtrans-60.3132.9168.3-69.5-7.8000109.7F196 I197 A213 V214 V249 P251 A252F196-D216 CarbonylContact C-O 3.49Å; F196-D216 VanDerWaalsContact CA-O 3.32Å; F196-D216 WeakPolarHBondContact CA-O 3.38Å; I197-D216 HydrophobicContact CD1-CB 4.1Å; I197-D216 HydrophobicContact CG1-CB 4.36Å; I197-D216 PolarHBondContact N-O 2.86Å; A213-D216 PolarHBondContact N-OD2 2.72Å; A213-D216 WeakPolarHBondContact O-CB 3.15Å; A213-D216 VanDerWaalsContact O-CG 3.23Å; A213-D216 PolarHBondContact O-N 2.83Å; V214-D216 VanDerWaalsContact C-N 3.3Å; D216-V249 HydrophobicContact CB-CB 4.26Å; D216-V249 HydrophobicContact CB-CG2 4.47Å; D216-P251 VanDerWaalsContact OD1-CA 3.26Å; D216-P251 WeakPolarHBondContact OD1-CA 3.32Å; D216-A252 PolarHBondContact OD1-N 3.36Å
217E96.9Very high95.7Very high10 Ų1044.3 Ų44.35%0.04727%0.272CS..EExtended strand (participates in β ladder)trans-84.3122.5177.2-175-176.4169.300108.7S181 R183 I195 F196 N215 L219 V249 K250S181-E217 WeakPolarHBondContact CB-OE1 2.84Å; S181-E217 VanDerWaalsContact OG-CD 3.22Å; S181-E217 PolarHBondContact OG-OE1 3.24Å; S181-E217 PolarHBondContact OG-OE2 3.33Å; R183-E217 IonicContact CZ-OE1 2.74Å; R183-E217 IonicContact NE-OE1 3.05Å; R183-E217 IonicContact NH2-OE1 2.77Å; R183-E217 PolarHBondContact NH2-OE1 3.14Å; I195-E217 CarbonylContact O-C 3.53Å; I195-E217 WeakPolarHBondContact O-CA 3.21Å; F196-E217 HydrophobicContact CD1-CB 3.88Å; F196-E217 HydrophobicContact CD1-CG 4.28Å; F196-E217 HydrophobicContact CE1-CB 3.63Å; F196-E217 HydrophobicContact CE1-CG 3.8Å; F196-E217 HydrophobicContact CZ-CB 4.37Å; F196-E217 HydrophobicContact CZ-CG 4.02Å; N215-E217 PolarHBondContact O-N 3.18Å; E217-L219 HydrophobicContact CG-CD2 3.95Å; E217-V249 CarbonylContact O-C 3.57Å; E217-V249 WeakPolarHBondContact O-CA 3.2Å; E217-V249 WeakPolarHBondContact O-CB 3.25Å; E217-K250 HydrophobicContact CB-CB 4.23Å; E217-K250 PolarHBondContact N-O 3.07Å; E217-K250 PolarHBondContact O-N 3.15Å
218V97.7Very high95.6Very high1 Ų144.4 Ų44.41%0.00630%0.295CS..EExtended strand (participates in β ladder)trans-80.2130.6175.4-176.50000108.7I176 I195 I197 V221 V226 M238 I247 V249I176-V218 HydrophobicContact CG2-CG2 4.35Å; I195-V218 HydrophobicContact CB-CB 4.23Å; I195-V218 HydrophobicContact CG2-CB 4.19Å; I195-V218 HydrophobicContact CG2-CG2 4.28Å; I195-V218 PolarHBondContact O-N 3.47Å; I197-V218 HydrophobicContact CG1-CG2 4.24Å; V218-V221 HydrophobicContact CG1-CG2 4.2Å; V218-V226 HydrophobicContact CG1-CG1 4.11Å; V218-V226 WeakPolarHBondContact O-CG2 3.17Å; V218-M238 HydrophobicContact CG1-CE 3.88Å; V218-M238 HydrophobicContact CG2-CE 4.35Å; V218-I247 HydrophobicContact CG1-CD1 3.92Å; V218-I247 HydrophobicContact CG1-CG1 3.95Å; V218-I247 HydrophobicContact CG2-CD1 3.97Å; V218-V249 HydrophobicContact CG2-CG1 4.39Å
219L96.8Very high95.7Very high26 Ų2643.1 Ų43.114%0.13628%0.279CS..EExtended strand (participates in β ladder)trans-114.6-39.2-178.4-57.6-177.4000112.5H158 E217 E225 V226 T248 K250H158-L219 WeakPolarHBondContact CD2-CD1 3.29Å; H158-L219 WeakPolarHBondContact NE2-CD1 3.26Å; E217-L219 HydrophobicContact CG-CD2 3.95Å; L219-E225 WeakPolarHBondContact O-CA 3.3Å; L219-V226 WeakPolarHBondContact O-CG2 3.37Å; L219-V226 PolarHBondContact O-N 3.36Å; L219-T248 PolarHBondContact N-O 2.93Å; L219-K250 HydrophobicContact CD1-CB 4.2Å
220E97.7Very high95.9Very high40 Ų4044.4 Ų44.419%0.18729%0.289CS..EExtended strand (participates in β ladder)trans-143.8147.9-177.4-52.2172.2152.500111R160 I224 E225 I247 T248R160-E220 IonicContact CZ-OE2 3.13Å; R160-E220 IonicContact NE-OE2 3.67Å; R160-E220 IonicContact NH2-OE2 2.8Å; R160-E220 PolarHBondContact NH2-OE2 2.82Å; E220-I224 WeakPolarHBondContact CA-O 3.47Å; E220-E225 HydrophobicContact CG-CG 4.27Å; E220-I247 WeakPolarHBondContact O-CA 3.43Å; E220-T248 PolarHBondContact N-O 2.81Å; E220-T248 PolarHBondContact O-N 2.79Å; E220-T248 WeakPolarHBondContact OE2-CB 3.35Å; E220-T248 PolarHBondContact OE2-OG1 2.87Å
221V97.9Very high96.1Very high0 Ų043.1 Ų43.10%027%0.269CS..EExtended strand (participates in β ladder)trans-128.7120.1170.5176.30000108.5V218 G223 I224 V226 V234 M237 M238 L245 I246V218-V221 HydrophobicContact CG1-CG2 4.2Å; V221-G223 PolarHBondContact O-N 2.87Å; V221-I224 PolarHBondContact N-O 3.5Å; V221-I224 WeakPolarHBondContact O-CB 3.37Å; V221-I224 PolarHBondContact O-N 2.95Å; V221-V226 HydrophobicContact CG2-CG1 4.12Å; V221-V234 HydrophobicContact CG2-CG1 4.38Å; V221-M237 HydrophobicContact CB-CE 4.05Å; V221-M237 HydrophobicContact CG1-CB 4.25Å; V221-M238 HydrophobicContact CG1-CG 4.05Å; V221-M238 HydrophobicContact CG2-CE 3.59Å; V221-M238 HydrophobicContact CG2-CG 3.96Å; V221-L245 HydrophobicContact CG1-CD1 3.72Å; V221-I246 CarbonylContact C-O 3.53Å; V221-I246 WeakPolarHBondContact CA-O 3.44Å
222N96.7Very high96.1Very high49 Ų4947 Ų4726%0.26229%0.29SS..THydrogen-bonded Turntrans48.940.3-178.5-73.641.3000113.6I224 N241 N244 I246N222-I224 VanDerWaalsContact C-N 3.34Å; N222-N241 WeakPolarHBondContact ND2-CB 3.42Å; N222-N241 PolarHBondContact ND2-OD1 2.94Å; N222-N244 PolarHBondContact ND2-O 3.28Å; N222-I246 PolarHBondContact N-O 2.71Å; N222-I246 PolarHBondContact OD1-N 2.94Å; N222-I246 PolarHBondContact OD1-O 3.33Å
223G94.9Very high96.2Very high61 Ų6151.5 Ų51.563%0.62931%0.311SS*.THydrogen-bonded Turntrans82.18.4179.900000114.7V221V221-G223 PolarHBondContact O-N 2.87Å
224I96.9Very high96.3Very high84 Ų8449.9 Ų49.943%0.43130%0.297SS..EExtended strand (participates in β ladder)trans-111.9121.4177-45.8169.9000109.3E220 V221 N222 M237E220-I224 WeakPolarHBondContact CA-O 3.47Å; V221-I224 PolarHBondContact N-O 3.5Å; V221-I224 WeakPolarHBondContact O-CB 3.37Å; V221-I224 PolarHBondContact O-N 2.95Å; N222-I224 VanDerWaalsContact C-N 3.34Å; I224-M237 HydrophobicContact CB-CE 3.6Å; I224-M237 HydrophobicContact CD1-CE 3.96Å; I224-M237 HydrophobicContact CG1-CE 4.31Å; I224-M237 HydrophobicContact CG2-CE 3.93Å
225E96.6Very high96.4Very high123 Ų12347.7 Ų47.758%0.57528%0.284SS*.EExtended strand (participates in β ladder)trans-60.3145.4176.7-64.9-177.4-174.400111.8L219 E220 K229L219-E225 WeakPolarHBondContact O-CA 3.3Å; E220-E225 HydrophobicContact CG-CG 4.27Å; E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 PolarHBondContact O-NZ 3.44Å
226V96.3Very high96.4Very high6 Ų648.7 Ų48.74%0.03629%0.289CS..  trans-95-8.1178.3-52.80000113.4I195 V218 L219 V221 G228 K229 V234I195-V226 HydrophobicContact CB-CG2 4.45Å; I195-V226 HydrophobicContact CG1-CB 4.48Å; I195-V226 HydrophobicContact CG1-CG2 4.22Å; V218-V226 HydrophobicContact CG1-CG1 4.11Å; V218-V226 WeakPolarHBondContact O-CG2 3.17Å; L219-V226 WeakPolarHBondContact O-CG2 3.37Å; L219-V226 PolarHBondContact O-N 3.36Å; V221-V226 HydrophobicContact CG2-CG1 4.12Å; V226-G228 PolarHBondContact O-N 3Å; V226-K229 WeakPolarHBondContact O-CB 3.46Å; V226-K229 PolarHBondContact O-N 3.42Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V226-V234 HydrophobicContact CB-CG2 3.83Å; V226-V234 HydrophobicContact CG1-CG1 3.93Å; V226-V234 HydrophobicContact CG1-CG2 3.96Å
227V92.8Very high96.4Very high77 Ų7749.9 Ų49.947%0.46730%0.295SS..THydrogen-bonded Turntrans-61.9129178.8-179.40000109.6K229V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 PolarHBondContact O-N 3.17Å
228G91.7Very high96.4Very high85 Ų8549.4 Ų49.488%0.87629%0.293SS*.THydrogen-bonded Turntrans78.65.1-179.400000115.1V226V226-G228 PolarHBondContact O-N 3Å
229K95.6Very high96.2Very high59 Ų5951.8 Ų51.826%0.25731%0.305SS..  trans-97.7150.3173.4-60.2-170.1176.9-175.70111.4E225 V226 V227 Q233 V234 M237E225-K229 WeakPolarHBondContact O-CE 3.48Å; E225-K229 PolarHBondContact O-NZ 3.44Å; V226-K229 WeakPolarHBondContact O-CB 3.46Å; V226-K229 PolarHBondContact O-N 3.42Å; V226-K229 VanDerWaalsContact O-N 3.15Å; V227-K229 VanDerWaalsContact C-N 3.28Å; V227-K229 PolarHBondContact O-N 3.17Å; K229-Q233 HydrophobicContact CB-CB 4.35Å; K229-V234 HydrophobicContact CB-CG2 3.83Å; K229-V234 HydrophobicContact CD-CG2 4.47Å; K229-M237 HydrophobicContact CD-CE 4.5Å; K229-M237 HydrophobicContact CD-SD 3.69Å; K229-M237 VanDerWaalsContact NZ-CE 3.26Å; K229-M237 PolarHBondContact NZ-SD 3.3Å
230S96.4Very high96.1Very high53 Ų5354.5 Ų54.537%0.37133%0.331SS..  trans-74157.2171.969.70000111.3D232 Q233 V234S230-D232 PolarHBondContact O-N 3Å; S230-Q233 WeakPolarHBondContact O-CB 3.21Å; S230-Q233 PolarHBondContact O-N 3.09Å; S230-Q233 VanDerWaalsContact O-N 3.16Å; S230-Q233 VanDerWaalsContact OG-CG 3.28Å; S230-Q233 WeakPolarHBondContact OG-CG 3.12Å; S230-Q233 PolarHBondContact OG-N 3.46Å; S230-V234 WeakPolarHBondContact O-CG2 3.32Å; S230-V234 PolarHBondContact O-N 3.04Å; S230-V234 VanDerWaalsContact O-N 3.07Å
231L96.8Very high95.9Very high28 Ų2855.3 Ų55.315%0.14734%0.337CS..Hα-helixtrans-52-43.1173.9-174.663.2000112.3I176 I195 V234 T235I176-L231 HydrophobicContact CB-CD1 4.24Å; I176-L231 HydrophobicContact CD1-CD1 3.82Å; I176-L231 HydrophobicContact CG1-CD1 3.75Å; I195-L231 HydrophobicContact CD1-CD1 3.96Å; I195-L231 HydrophobicContact CG2-CD1 4.32Å; L231-V234 PolarHBondContact O-N 3.35Å; L231-T235 WeakPolarHBondContact O-CB 3.4Å; L231-T235 PolarHBondContact O-N 3.29Å; L231-T235 PolarHBondContact O-OG1 2.85Å
232D97.1Very high95.7Very high101 Ų10156 Ų5654%0.5434%0.342SS..Hα-helixtrans-63.8-44.6179.5-61-24.8000111.5S230 V234 T235 D236S230-D232 PolarHBondContact O-N 3Å; D232-V234 VanDerWaalsContact C-N 3.31Å; D232-V234 PolarHBondContact O-N 3.38Å; D232-T235 WeakPolarHBondContact O-CB 3.41Å; D232-T235 PolarHBondContact O-N 2.85Å; D232-T235 VanDerWaalsContact O-N 3.14Å; D232-D236 PolarHBondContact O-N 3.33Å
233Q97.3Very high95.5Very high101 Ų10158.6 Ų58.647%0.47235%0.352SS..Hα-helixtrans-60.6-41.6176.8-74171.8-16.100111.9K229 S230 T235 D236 M237K229-Q233 HydrophobicContact CB-CB 4.35Å; S230-Q233 WeakPolarHBondContact O-CB 3.21Å; S230-Q233 PolarHBondContact O-N 3.09Å; S230-Q233 VanDerWaalsContact O-N 3.16Å; S230-Q233 VanDerWaalsContact OG-CG 3.28Å; S230-Q233 WeakPolarHBondContact OG-CG 3.12Å; S230-Q233 PolarHBondContact OG-N 3.46Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; Q233-D236 PolarHBondContact O-N 3.44Å; Q233-M237 WeakPolarHBondContact O-CG 3.44Å; Q233-M237 PolarHBondContact O-N 3.08Å
234V97.6Very high95.4Very high0 Ų058.4 Ų58.40%034%0.337CS..Hα-helixtrans-67.9-37.9177.9177.90000110.6I176 I195 V221 V226 K229 S230 L231 D232 M237 M238I176-V234 HydrophobicContact CD1-CB 4.29Å; I176-V234 HydrophobicContact CD1-CG1 3.86Å; I195-V234 HydrophobicContact CG1-CG2 4.26Å; I195-V234 HydrophobicContact CG2-CG1 4.4Å; V221-V234 HydrophobicContact CG2-CG1 4.38Å; V226-V234 HydrophobicContact CB-CG2 3.83Å; V226-V234 HydrophobicContact CG1-CG1 3.93Å; V226-V234 HydrophobicContact CG1-CG2 3.96Å; K229-V234 HydrophobicContact CB-CG2 3.83Å; K229-V234 HydrophobicContact CD-CG2 4.47Å; S230-V234 WeakPolarHBondContact O-CG2 3.32Å; S230-V234 PolarHBondContact O-N 3.04Å; S230-V234 VanDerWaalsContact O-N 3.07Å; L231-V234 PolarHBondContact O-N 3.35Å; D232-V234 VanDerWaalsContact C-N 3.31Å; D232-V234 PolarHBondContact O-N 3.38Å; V234-M237 PolarHBondContact O-N 3.06Å; V234-M238 HydrophobicContact CG1-CE 3.93Å; V234-M238 WeakPolarHBondContact O-CG 3.49Å; V234-M238 PolarHBondContact O-N 3.22Å
235T96.8Very high95.4Very high11 Ų1154.4 Ų54.47%0.06732%0.316CS..Hα-helixtrans-60-50.5173.9-590000110.9L231 D232 Q233 M237 M238 I239 I405L231-T235 WeakPolarHBondContact O-CB 3.4Å; L231-T235 PolarHBondContact O-N 3.29Å; L231-T235 PolarHBondContact O-OG1 2.85Å; D232-T235 WeakPolarHBondContact O-CB 3.41Å; D232-T235 PolarHBondContact O-N 2.85Å; D232-T235 VanDerWaalsContact O-N 3.14Å; Q233-T235 VanDerWaalsContact C-N 3.33Å; T235-M237 VanDerWaalsContact C-N 3.3Å; T235-M237 PolarHBondContact O-N 3.32Å; T235-M238 PolarHBondContact O-N 3Å; T235-M238 VanDerWaalsContact O-N 3.08Å; T235-I239 HydrophobicContact CG2-CD1 3.83Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 WeakPolarHBondContact O-CG1 3.46Å; T235-I239 PolarHBondContact O-N 2.92Å; T235-I405 HydrophobicContact CG2-CG1 4.12Å
236D96.8Very high95.5Very high104 Ų10450.4 Ų50.456%0.55630%0.298SS*.Hα-helixtrans-59.2-41.7178-71-19.8000111.8D232 Q233 M238 I239 A240D232-D236 PolarHBondContact O-N 3.33Å; Q233-D236 PolarHBondContact O-N 3.44Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 PolarHBondContact O-N 3.46Å; D236-I239 PolarHBondContact O-N 3.46Å; D236-A240 VanDerWaalsContact O-CB 3.3Å; D236-A240 WeakPolarHBondContact O-CB 3.25Å; D236-A240 PolarHBondContact O-N 2.93Å
237M97Very high95.6Very high29 Ų2950.1 Ų50.114%0.14330%0.297CS..Hα-helixtrans-60.7-41.6175.4-72.3168.161.200112.3V221 I224 K229 Q233 V234 T235 N241V221-M237 HydrophobicContact CB-CE 4.05Å; V221-M237 HydrophobicContact CG1-CB 4.25Å; I224-M237 HydrophobicContact CB-CE 3.6Å; I224-M237 HydrophobicContact CD1-CE 3.96Å; I224-M237 HydrophobicContact CG1-CE 4.31Å; I224-M237 HydrophobicContact CG2-CE 3.93Å; K229-M237 HydrophobicContact CD-CE 4.5Å; K229-M237 HydrophobicContact CD-SD 3.69Å; K229-M237 VanDerWaalsContact NZ-CE 3.26Å; K229-M237 PolarHBondContact NZ-SD 3.3Å; Q233-M237 WeakPolarHBondContact O-CG 3.44Å; Q233-M237 PolarHBondContact O-N 3.08Å; V234-M237 PolarHBondContact O-N 3.06Å; T235-M237 VanDerWaalsContact C-N 3.3Å; T235-M237 PolarHBondContact O-N 3.32Å; M237-N241 PolarHBondContact O-N 3.41Å; M237-N241 PolarHBondContact O-ND2 3.05Å
238M96.4Very high95.8Very high0 Ų046.7 Ų46.70%028%0.276CS..Hα-helixtrans-68.4-39.5176.9-69.4-175.8-17900111.7F174 I176 V218 V221 V234 T235 D236 N241 S242 L245 I247 I405F174-M238 HydrophobicContact CE2-CE 4.26Å; F174-M238 HydrophobicContact CE2-SD 3.75Å; F174-M238 HydrophobicContact CZ-CE 4.49Å; F174-M238 HydrophobicContact CZ-SD 3.79Å; I176-M238 HydrophobicContact CD1-CE 4.31Å; I176-M238 HydrophobicContact CD1-SD 4.17Å; I176-M238 HydrophobicContact CG2-CE 4.17Å; I176-M238 HydrophobicContact CG2-SD 4.36Å; V218-M238 HydrophobicContact CG1-CE 3.88Å; V218-M238 HydrophobicContact CG2-CE 4.35Å; V221-M238 HydrophobicContact CG1-CG 4.05Å; V221-M238 HydrophobicContact CG2-CE 3.59Å; V221-M238 HydrophobicContact CG2-CG 3.96Å; V234-M238 HydrophobicContact CG1-CE 3.93Å; V234-M238 WeakPolarHBondContact O-CG 3.49Å; V234-M238 PolarHBondContact O-N 3.22Å; T235-M238 PolarHBondContact O-N 3Å; T235-M238 VanDerWaalsContact O-N 3.08Å; D236-M238 VanDerWaalsContact C-N 3.33Å; D236-M238 PolarHBondContact O-N 3.46Å; M238-N241 CarbonylContact O-C 3.57Å; M238-N241 PolarHBondContact O-N 3.1Å; M238-S242 VanDerWaalsContact O-CA 3.31Å; M238-S242 WeakPolarHBondContact O-CA 3.34Å; M238-S242 WeakPolarHBondContact O-CB 3.28Å; M238-S242 PolarHBondContact O-N 3.38Å; M238-L245 HydrophobicContact CB-CD1 4.29Å; M238-L245 HydrophobicContact CG-CD1 4.19Å; M238-I247 HydrophobicContact CE-CD1 3.7Å; M238-I247 HydrophobicContact CE-CG1 4.49Å; M238-I405 HydrophobicContact SD-CD1 4.05Å
239I93.9Very high96.1Very high51 Ų5142.6 Ų42.626%0.26223%0.234SC..Hα-helixtrans-64.5-48.9177.7-67.7170.3000110.5T235 D236 N241 S242 I405T235-I239 HydrophobicContact CG2-CD1 3.83Å; T235-I239 HydrophobicContact CG2-CG1 4.45Å; T235-I239 WeakPolarHBondContact O-CG1 3.46Å; T235-I239 PolarHBondContact O-N 2.92Å; D236-I239 PolarHBondContact O-N 3.46Å; I239-N241 PolarHBondContact O-N 2.79Å; I239-S242 VanDerWaalsContact O-CB 3.22Å; I239-S242 WeakPolarHBondContact O-CB 3.45Å; I239-S242 PolarHBondContact O-N 2.82Å; I239-S242 PolarHBondContact O-OG 2.85Å; I239-I405 HydrophobicContact CD1-CG2 4.03Å; I239-I405 HydrophobicContact CG1-CG2 3.44Å; I239-I405 VanDerWaalsContact CG1-CG2 3.44Å
240A94.1Very high96.1Very high82 Ų8243.5 Ų43.568%0.67824%0.238SC*.Hα-helixtrans-58.2-31179.300000112.5D236D236-A240 VanDerWaalsContact O-CB 3.3Å; D236-A240 WeakPolarHBondContact O-CB 3.25Å; D236-A240 PolarHBondContact O-N 2.93Å
241N95.1Very high96Very high58 Ų5841.4 Ų41.431%0.3122%0.223SC..THydrogen-bonded Turntrans-105.513.5179.6-66.3-79.1000113.6N222 M237 M238 I239 H243 N244 L245N222-N241 WeakPolarHBondContact ND2-CB 3.42Å; N222-N241 PolarHBondContact ND2-OD1 2.94Å; M237-N241 PolarHBondContact O-N 3.41Å; M237-N241 PolarHBondContact O-ND2 3.05Å; M238-N241 CarbonylContact O-C 3.57Å; M238-N241 PolarHBondContact O-N 3.1Å; I239-N241 PolarHBondContact O-N 2.79Å; N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 VanDerWaalsContact O-N 3.08Å; N241-N244 CarbonylContact O-C 3.44Å; N241-N244 PolarHBondContact O-N 2.8Å; N241-L245 HydrophobicContact CB-CD1 4.27Å; N241-L245 WeakPolarHBondContact O-CA 3.19Å; N241-L245 PolarHBondContact O-N 3.47Å; N241-L245 VanDerWaalsContact O-N 3.11Å
242S93.1Very high95.6Very high14 Ų1442.4 Ų42.410%0.09824%0.235CC..THydrogen-bonded Turntrans-61.7-25.6-168.459.60000114.6K165 M238 I239 N244K165-S242 WeakPolarHBondContact CB-O 3.42Å; M238-S242 VanDerWaalsContact O-CA 3.31Å; M238-S242 WeakPolarHBondContact O-CA 3.34Å; M238-S242 WeakPolarHBondContact O-CB 3.28Å; M238-S242 PolarHBondContact O-N 3.38Å; I239-S242 VanDerWaalsContact O-CB 3.22Å; I239-S242 WeakPolarHBondContact O-CB 3.45Å; I239-S242 PolarHBondContact O-N 2.82Å; I239-S242 PolarHBondContact O-OG 2.85Å; S242-N244 VanDerWaalsContact C-N 3.35Å
243H91.5Very high94.2Very high104 Ų10442.6 Ų42.648%0.48124%0.236SC..THydrogen-bonded Turntrans-67.8-32.8175.2-74.9-67.6000113.6K165 N241K165-H243 PolarHBondContact N-O 3.24Å; N241-H243 PolarHBondContact O-N 3.46Å; N241-H243 VanDerWaalsContact O-N 3.08Å
244N94.6Very high92.6Very high57 Ų5743.1 Ų43.131%0.30524%0.239SC..EExtended strand (participates in β ladder)trans-147.972-176.6177.832.6000108.9R162 N222 N241 S242R162-N244 PolarHBondContact NE-OD1 3.16Å; R162-N244 PolarHBondContact NH2-ND2 2.99Å; R162-N244 PolarHBondContact NH2-OD1 3.31Å; R162-N244 VanDerWaalsContact NH2-OD1 3.07Å; N222-N244 PolarHBondContact ND2-O 3.28Å; N241-N244 CarbonylContact O-C 3.44Å; N241-N244 PolarHBondContact O-N 2.8Å; S242-N244 VanDerWaalsContact C-N 3.35Å
245L97.1Very high90.7Very high0 Ų054.6 Ų54.60%028%0.282CS..EExtended strand (participates in β ladder)trans-83.4130.9-176-176.672.1000109.5R162 L163 L172 F174 V221 M238 N241 I247R162-L245 CarbonylContact C-O 3.6Å; R162-L245 VanDerWaalsContact CA-O 3.29Å; R162-L245 WeakPolarHBondContact CA-O 3.41Å; L163-L245 HydrophobicContact CB-CB 4.46Å; L163-L245 PolarHBondContact N-O 2.73Å; L163-L245 PolarHBondContact O-N 3.26Å; L172-L245 HydrophobicContact CD1-CD2 3.75Å; L172-L245 HydrophobicContact CD2-CD2 4.46Å; F174-L245 HydrophobicContact CE1-CD2 4.2Å; F174-L245 HydrophobicContact CZ-CD2 4Å; V221-L245 HydrophobicContact CG1-CD1 3.72Å; M238-L245 HydrophobicContact CB-CD1 4.29Å; M238-L245 HydrophobicContact CG-CD1 4.19Å; N241-L245 HydrophobicContact CB-CD1 4.27Å; N241-L245 WeakPolarHBondContact O-CA 3.19Å; N241-L245 PolarHBondContact O-N 3.47Å; N241-L245 VanDerWaalsContact O-N 3.11Å; L245-I247 HydrophobicContact CD2-CB 4.43Å; L245-I247 HydrophobicContact CG-CB 4.48Å
246I97.8Very high88.6Confident39 Ų3960.1 Ų60.120%0.231%0.311CS..EExtended strand (participates in β ladder)trans-115.4112.4168.9-62172.1000106.8I149 R160 V161 R162 V221 N222I149-I246 HydrophobicContact CD1-CD1 4.45Å; I149-I246 HydrophobicContact CD1-CG2 3.87Å; R160-I246 HydrophobicContact CG-CG2 3.71Å; V161-I246 CarbonylContact O-C 3.56Å; V161-I246 WeakPolarHBondContact O-CA 3.39Å; R162-I246 HydrophobicContact CB-CG1 4.28Å; R162-I246 HydrophobicContact CG-CG1 3.93Å; V221-I246 CarbonylContact C-O 3.53Å; V221-I246 WeakPolarHBondContact CA-O 3.44Å; N222-I246 PolarHBondContact N-O 2.71Å; N222-I246 PolarHBondContact OD1-N 2.94Å; N222-I246 PolarHBondContact OD1-O 3.33Å
247I97.9Very high86.6Confident0 Ų057.3 Ų57.30%030%0.296CS..EExtended strand (participates in β ladder)trans-118.4126-177.8-170.6177.1000109.6R160 V161 F174 L212 V218 E220 M238 L245 V249R160-I247 WeakPolarHBondContact CA-O 3.36Å; V161-I247 HydrophobicContact CB-CG2 4.03Å; V161-I247 PolarHBondContact N-O 2.76Å; V161-I247 PolarHBondContact O-N 2.77Å; F174-I247 HydrophobicContact CE2-CD1 4.42Å; F174-I247 HydrophobicContact CZ-CD1 4.31Å; L212-I247 HydrophobicContact CD1-CG2 4.38Å; L212-I247 HydrophobicContact CD2-CG2 4.17Å; V218-I247 HydrophobicContact CG1-CD1 3.92Å; V218-I247 HydrophobicContact CG1-CG1 3.95Å; V218-I247 HydrophobicContact CG2-CD1 3.97Å; E220-I247 WeakPolarHBondContact O-CA 3.43Å; M238-I247 HydrophobicContact CE-CD1 3.7Å; M238-I247 HydrophobicContact CE-CG1 4.49Å; L245-I247 HydrophobicContact CD2-CB 4.43Å; L245-I247 HydrophobicContact CG-CB 4.48Å; I247-V249 HydrophobicContact CD1-CG1 3.89Å; I247-V249 HydrophobicContact CG1-CG1 3.83Å
248T97.7Very high84.6Confident4 Ų460.7 Ų60.73%0.02532%0.318CS..EExtended strand (participates in β ladder)trans-96.6121.2170.6-51.40000108L154 H158 R160 L219 E220L154-T248 HydrophobicContact CD2-CG2 4.45Å; H158-T248 HydrophobicContact CB-CG2 4.48Å; R160-T248 HydrophobicContact CB-CG2 4.49Å; R160-T248 PolarHBondContact NE-OG1 3.24Å; L219-T248 PolarHBondContact N-O 2.93Å; E220-T248 PolarHBondContact N-O 2.81Å; E220-T248 PolarHBondContact O-N 2.79Å; E220-T248 WeakPolarHBondContact OE2-CB 3.35Å; E220-T248 PolarHBondContact OE2-OG1 2.87Å
249V97.1Very high82.3Confident0 Ų066.9 Ų66.90%036%0.355CS..EExtended strand (participates in β ladder)trans-121.9157.2178.5-57.90000111.4H158 R159 L212 D216 E217 V218 I247H158-V249 CarbonylContact C-O 3.59Å; H158-V249 WeakPolarHBondContact CA-O 3.26Å; R159-V249 HydrophobicContact CB-CG2 4.2Å; R159-V249 PolarHBondContact N-O 3.42Å; R159-V249 PolarHBondContact O-N 3.35Å; L212-V249 HydrophobicContact CD2-CG1 3.94Å; L212-V249 HydrophobicContact CD2-CG2 4.04Å; D216-V249 HydrophobicContact CB-CB 4.26Å; D216-V249 HydrophobicContact CB-CG2 4.47Å; E217-V249 CarbonylContact O-C 3.57Å; E217-V249 WeakPolarHBondContact O-CA 3.2Å; E217-V249 WeakPolarHBondContact O-CB 3.25Å; V218-V249 HydrophobicContact CG2-CG1 4.39Å; I247-V249 HydrophobicContact CD1-CG1 3.89Å; I247-V249 HydrophobicContact CG1-CG1 3.83Å
250K95.4Very high80.3Confident77 Ų7775.3 Ų75.334%0.33538%0.384SS..EExtended strand (participates in β ladder)trans-103.2107.3163.3177.2-176.7176.8-173.90107.9E217 L219 A252E217-K250 HydrophobicContact CB-CB 4.23Å; E217-K250 PolarHBondContact N-O 3.07Å; E217-K250 PolarHBondContact O-N 3.15Å; L219-K250 HydrophobicContact CD1-CB 4.2Å; K250-A252 PolarHBondContact O-N 3.32Å
251P94.6Very high77.8Confident9 Ų975 Ų756%0.05839%0.388CS..  trans-60.3134.9-176.9-26.636.4000112.8T157 R159 D216T157-P251 VanDerWaalsContact O-CD 3.23Å; T157-P251 WeakPolarHBondContact O-CD 3.42Å; R159-P251 HydrophobicContact CB-CG 4.06Å; D216-P251 VanDerWaalsContact OD1-CA 3.26Å; D216-P251 WeakPolarHBondContact OD1-CA 3.32Å
252A88.3Confident75.2Confident49 Ų4975.9 Ų75.941%0.40541%0.412SS..SBendtrans-68.3-37.5176.500000112.2N215 D216 K250N215-A252 HydrophobicContact CB-CB 3.82Å; D216-A252 PolarHBondContact OD1-N 3.36Å; K250-A252 PolarHBondContact O-N 3.32Å
253N69.3Low73.1Confident106 Ų10678.5 Ų78.557%0.56744%0.44SS*.  trans-114.892.1-179.9-72.5-43.8000110R255 N256N253-R255 PolarHBondContact O-N 3.28Å; N253-N256 PolarHBondContact O-N 3.16Å
254Q63.7Low70.9Confident112 Ų11281.2 Ų81.252%0.52346%0.464SS..G310 helixtrans-62.2-10.6176.8-66.1-175.2-6.700113.7N256 N257Q254-N256 PolarHBondContact O-N 2.82Å; Q254-N257 PolarHBondContact O-N 3.14Å
255R56.5Low68.3Low241 Ų24182 Ų8291%0.90949%0.486SS*.G310 helixtrans-62.5-25.1174.1-71.9-178.3168174.4-3.7114N253N253-R255 PolarHBondContact O-N 3.28Å
256N53.5Low65.7Low127 Ų12786.2 Ų86.268%0.67953%0.529SS*.G310 helixtrans-99.515.9177.4-753.1000112.8R159 N253 Q254 V258R159-N256 PolarHBondContact NH2-O 2.89Å; N253-N256 PolarHBondContact O-N 3.16Å; Q254-N256 PolarHBondContact O-N 2.82Å; N256-V258 PolarHBondContact O-N 3.19Å
257N54.7Low63Low45 Ų4588 Ų8824%0.24156%0.557CS.*SBendtrans-67.6127.4165.4-123.19.7000107.7E156 R159 Q254 V259E156-N257 PolarHBondContact O-ND2 2.92Å; R159-N257 PolarHBondContact NE-OD1 3.27Å; R159-N257 PolarHBondContact NH2-OD1 2.95Å; Q254-N257 PolarHBondContact O-N 3.14Å; N257-V259 PolarHBondContact O-N 2.93Å
258V54.1Low60.5Low99 Ų9993 Ų9360%0.660%0.599SS**  trans-62.789.8177.2179.60000106.9N256 R260N256-V258 PolarHBondContact O-N 3.19Å; V258-R260 VanDerWaalsContact C-N 3.25Å; V258-R260 HydrophobicContact CG1-CG 4.24Å; V258-R260 PolarHBondContact O-N 3.03Å
259V49.4Very low57.9Low130 Ų13097.9 Ų97.979%0.78864%0.639SS**  trans-69.891.9170.8-1790000105.5N257 G261N257-V259 PolarHBondContact O-N 2.93Å; V259-G261 VanDerWaalsContact C-N 3.32Å; V259-G261 PolarHBondContact O-N 2.82Å
260R51.9Low55.3Low229 Ų229104 Ų10486%0.86468%0.682SS**  trans-67.5101.7159.8-75.4-173.8171.6-177.7-1.9105.6V258 G262V258-R260 VanDerWaalsContact C-N 3.25Å; V258-R260 HydrophobicContact CG1-CG 4.24Å; V258-R260 PolarHBondContact O-N 3.03Å; R260-G262 PolarHBondContact O-N 2.84Å
261G41.1Very low52.4Low74 Ų74103.8 Ų103.876%0.76370%0.701SS**  trans-54.7101.5177.500000111V259V259-G261 VanDerWaalsContact C-N 3.32Å; V259-G261 PolarHBondContact O-N 2.82Å
262G41Very low49.8Very low78 Ų78108.8 Ų108.880%0.80474%0.736SS**  trans-78.3114.9156.300000107.4R260R260-G262 PolarHBondContact O-N 2.84Å
263G48.3Very low47Very low68 Ų68112 Ų11270%0.70176%0.756SS**  trans-66.4158.7-166.800000115.6
264V45.8Very low45.5Very low162 Ų162112.1 Ų112.198%0.98277%0.765SS**  -179.9126.8108.6172.60000106.7
265G39.1Very low44Very low74 Ų74114.6 Ų114.676%0.76378%0.782SS**  trans134.2112.616800000113.3
266G42.4Very low43Very low87 Ų87111.6 Ų111.690%0.89778%0.784SS**  trans-74.5170.1-169.500000115.9
267G40.6Very low41.9Very low77 Ų77109.2 Ų109.279%0.79479%0.79SS**  trans130.796.2164.300000114.2
268A45.8Very low40.9Very low106 Ų106111.2 Ų111.288%0.87681%0.812SS**  trans49.7110.6144.100000119.7
269A42.8Very low39.9Very low105 Ų105111.3 Ų111.387%0.86882%0.818SS**  -166.994.9127.600000109.9
270S42.6Very low39Very low129 Ų129115.2 Ų115.290%0.90282%0.82SS**  trans-73.5127159.548.70000109.9
271G35.9Very low38.2Very low72 Ų72113 Ų11374%0.74282%0.819SS**  trans-158.273.9166.900000108.6
272S38.2Very low37.7Very low114 Ų114112.7 Ų112.780%0.79782%0.816SS**  68.480.695.3176.80000112.2S274S272-S274 PolarHBondContact O-N 2.92Å
273S31.4Very low37.3Very low117 Ų117119.7 Ų119.782%0.81882%0.82SS**  trans-65.3114.8154.950.60000109.2D275S273-D275 PolarHBondContact O-N 2.86Å
274S36Very low36.6Very low109 Ų109124 Ų12476%0.76283%0.826SS**  trans-77.9104.717043.40000109.9S272S272-S274 PolarHBondContact O-N 2.92Å
275D33.8Very low37Very low164 Ų164120.9 Ų120.988%0.87781%0.809SS**  trans-138.5112.4153-87.5-30000107.7S273S273-D275 PolarHBondContact O-N 2.86Å
276N34.5Very low36.7Very low177 Ų177126.6 Ų126.695%0.94782%0.815SS**  trans-122.9118.6177.1-138.954.5000108.3
277G31.2Very low36.1Very low78 Ų78125.5 Ų125.580%0.80480%0.804SS**  trans-159.787.7173.700000109.5
278A33.8Very low35.6Very low86 Ų86127 Ų12771%0.71181%0.81SS**  trans-44.1152.1177.700000113.2
279S33.3Very low34.9Very low102 Ų102126.7 Ų126.771%0.71381%0.807SS**  175.4138.468.231.60000113.7
280Y30.3Very low34.4Very low212 Ų212126 Ų12683%0.83180%0.801SS**  trans83.5136.1134.8-88.5-97.9000124.1
281H34.8Very low33.9Very low181 Ų181127.7 Ų127.784%0.83880%0.798SS**  trans81.4122.4172-75.853.9000116
282G30.2Very low33.6Very low69 Ų69128.7 Ų128.771%0.71180%0.799SS**  cis142.4114.714.700000107.8
283Y32Very low33.2Very low224 Ų224126.7 Ų126.788%0.87880%0.797SS**  trans-41.2160176.3-64.1-92.9000115.8
284L34.7Very low33.6Very low160 Ų160127.3 Ų127.384%0.83880%0.798SS**  cis-167178.931.8-112.3127.5000110
285P53.4Low33.5Very low96 Ų96127.3 Ų127.362%0.62379%0.794SS**  trans-116.1169.9-158.243.2-33.6000116.2
286H32.4Very low33.2Very low193 Ų193127.5 Ų127.589%0.89479%0.789SS**  trans175.2143.6150.2-105.862.4000107
287G29.7Very low33Very low64 Ų64126 Ų12666%0.6678%0.779SS**  cis126.4111.618.300000109.4
288A31Very low33Very low110 Ų110129.8 Ų129.891%0.90978%0.78SS**  trans68.3148.9168.900000117.5
289A30.3Very low32.7Very low99 Ų99133.9 Ų133.982%0.81878%0.784SS**  cis-155.8168.419.600000111.8
290A33.3Very low32.5Very low90 Ų90135.4 Ų135.474%0.74478%0.784SS**  trans-64162.7179.300000115.7
291I31.3Very low32.3Very low165 Ų165134.6 Ų134.685%0.84679%0.785SS**  trans-176103.3141.1-86.1144.6000105.2
292A30.4Very low31.9Very low92 Ų92130.5 Ų130.576%0.7678%0.777SS**  65126.798.500000115.1
293G30.3Very low31.9Very low73 Ų73134.5 Ų134.575%0.75379%0.787SS**  trans-67.8-169.8-177.300000115.2
294P39.1Very low31.6Very low129 Ų129127.2 Ų127.284%0.83878%0.78SS**  -144.3174.266.435.6-15.4000116.7
295T34Very low31.7Very low110 Ų110128.5 Ų128.568%0.67578%0.782SS**  trans-69.1177.3168.342.80000113.9
296H27.6Very low30.8Very low167 Ų167131.8 Ų131.877%0.77379%0.794SS**  trans105.3135.8170.8-58.5-58.5000113.4
297I29.9Very low30.9Very low146 Ų146131.6 Ų131.675%0.74979%0.793SS**  cis-162.5154.120.3-105.1148.2000109
298I30.9Very low30.9Very low158 Ų158133.7 Ų133.781%0.8180%0.798SS**  trans-67.5132.4170.3-66.9163.4000110.7
299Q28.4Very low31.2Very low172 Ų172135.8 Ų135.880%0.80479%0.793SS**  trans-134.4126.4159.2-100.3179.6-11.100111.7
300N27.6Very low31.8Very low134 Ų134139.3 Ų139.372%0.71779%0.793SS**  trans-86.6128.9-176.3-16467.6000109.1
301F26.5Very low32.2Very low195 Ų195142.4 Ų142.486%0.85580%0.797SS**  trans-140.7131.6158.3-85.1-76.6000110.1
302S27.8Very low32.7Very low95 Ų95141.6 Ų141.666%0.66479%0.794SS**  trans-99.7170174.9-61.50000111
303V28.5Very low33.3Very low153 Ų153146.1 Ų146.193%0.92780%0.8SS**  trans102.1121.8159.2-169.30000115.7
304G27.1Very low33.6Very low71 Ų71150.2 Ų150.273%0.73280%0.804SS**  trans160.667.3165.900000112.4
305E35.3Very low33.9Very low186 Ų186150.3 Ų150.387%0.86980%0.802SS**  trans-57.2131.4162.3-72.9176.1146.900109.5
306L34.8Very low34.1Very low166 Ų166150.5 Ų150.587%0.86980%0.803SS**  trans-132.9100.7155.8-75.9175.3000106.7
307E34.2Very low34.8Very low188 Ų188149.9 Ų149.988%0.87980%0.804SS**  trans-59.4133.1152.4-69.1177.5149.200108.5
308S31.6Very low35.3Very low109 Ų109151.5 Ų151.576%0.76281%0.809SS**  trans-149.799.5156.957.90000107.6
309D36.4Very low35.8Very low153 Ų153153.5 Ų153.582%0.81882%0.817SS**  trans-59.8125.6162.8-70.8-36.8000109.5
310E42.3Very low36Very low174 Ų174149.1 Ų149.181%0.81382%0.818SS**  trans-136.8101.4155.5-70.6-170.3160.100107.6D312E310-D312 PolarHBondContact O-N 3.29Å
311D42.1Very low36.1Very low154 Ų154146.8 Ų146.882%0.82483%0.825SS**  trans-64.2114.4164.4-68.1-60.5000109.1
312D42.4Very low36.2Very low148 Ų148146.7 Ų146.779%0.79183%0.827SS**  trans-117.5111168-85.4-37.7000109.8E310 D314E310-D312 PolarHBondContact O-N 3.29Å; D312-D314 PolarHBondContact O-N 2.84Å
313E42.2Very low36.3Very low187 Ų187146.9 Ų146.987%0.87484%0.835SS**  trans-66.1121.3-179.4-67.6-104.4133.700112.3V315E313-V315 PolarHBondContact O-N 2.84Å
314D36.6Very low36.3Very low159 Ų159148 Ų14885%0.8583%0.83SS**  trans-72.8117.3173-85.8-36.4000111.6D312 V316D312-D314 PolarHBondContact O-N 2.84Å; D314-V316 PolarHBondContact O-N 2.95Å
315V46.2Very low36.4Very low131 Ų131149.6 Ų149.679%0.79483%0.826SS**  trans-87.2103170.9-177.10000110.6E313 I317E313-V315 PolarHBondContact O-N 2.84Å; V315-I317 HydrophobicContact CG1-CG1 4.31Å
316V37.2Very low36Very low114 Ų114147.9 Ų147.969%0.69182%0.821SS**  trans-87.3120.5168.3-177.90000108.9D314 E318D314-V316 PolarHBondContact O-N 2.95Å; V316-E318 HydrophobicContact CG1-CG 4.02Å
317I43.7Very low35.6Very low155 Ų155151.3 Ų151.380%0.79582%0.822SS**  trans-95.999.8169.7-55.9176.2000107.9V315V315-I317 HydrophobicContact CG1-CG1 4.31Å
318E38.9Very low35.3Very low180 Ų180153.9 Ų153.984%0.84182%0.824SS**  trans-84.7130.6165.3-69.6-166.1153.800109.6V316V316-E318 HydrophobicContact CG1-CG 4.02Å
319M41.6Very low35.1Very low199 Ų199155.2 Ų155.298%0.9883%0.828SS**  trans-108.5114.7174.2-174.7151-167.700110
320G32.5Very low35Very low80 Ų80153.8 Ų153.883%0.82583%0.827SS**  trans164.6128.9163.500000114.8
321G30.4Very low34.5Very low85 Ų85151 Ų15188%0.87683%0.827SS**  trans132.7129.215800000116.5
322E29.6Very low34Very low193 Ų193150.9 Ų150.990%0.90283%0.826SS**  trans-93.7160.8-162.4-61.7166.2130.500116.5
323A29.3Very low33.5Very low100 Ų100155.1 Ų155.183%0.82683%0.832SS**  trans55.7144.8149.900000119.9
324E27.2Very low33Very low177 Ų177152.1 Ų152.183%0.82783%0.832SS**  cis-167.8158.823.7-136.2-159.3-165.500111.2
325T29.2Very low32.9Very low103 Ų103152.9 Ų152.963%0.63283%0.833SS**  trans36.9129.9150-3.60000124.8
326I27Very low32.5Very low150 Ų150152.5 Ų152.577%0.76983%0.833SS**  -178.3127.4117.9-89.7157.5000113.9
327R26.8Very low32.4Very low238 Ų238152.7 Ų152.790%0.89884%0.84SS**  trans60.4127.9147-69177.6179.8-169.9-0.6124.5
328R27.4Very low32Very low242 Ų242153.3 Ų153.391%0.91384%0.843SS**  trans-75.8147.5169.1-63.1177.6170-147.6-2.9113.2
329T29Very low32Very low137 Ų137150.6 Ų150.684%0.8484%0.842SS**  trans-145154.3135.346.50000109.5
330P32.7Very low31.5Very low124 Ų124151.9 Ų151.981%0.80584%0.835SS**  trans-96.3143.4-15635.8-30.3000113
331S31.9Very low31.4Very low115 Ų115158.4 Ų158.480%0.80484%0.837SS**  trans-129108.1161.958.10000109.2Y333S331-Y333 PolarHBondContact O-N 3.22Å
332N32.1Very low31.7Very low151 Ų151159.7 Ų159.781%0.80782%0.82SS**  trans-58114.9165.1-78.2-22.1000109.1
333Y32.8Very low31.9Very low237 Ų237155.6 Ų155.693%0.92981%0.81SS**  trans-158121.3142-91.6-70.6000108.5S331S331-Y333 PolarHBondContact O-N 3.22Å
334S30.6Very low32Very low124 Ų124158.8 Ų158.887%0.86781%0.808SS**PPolyproline II helixtrans-84.5127.1-174.1-157.20000110.1
335M35.3Very low32.4Very low175 Ų175158.3 Ų158.386%0.86281%0.81SS**PPolyproline II helixtrans-98.4134.7171-81.2-71.8-131.300109.7
336P36.9Very low32.5Very low124 Ų124161.1 Ų161.181%0.80582%0.821SS**PPolyproline II helixtrans-77.6130.6172.10.915.4000110.7
337S36.3Very low32.6Very low118 Ų118162.7 Ų162.783%0.82583%0.83SS**PPolyproline II helixtrans-73.9133.917748.80000112.7
338L34.8Very low32.7Very low167 Ų167162 Ų16287%0.87483%0.827SS**PPolyproline II helixtrans-66.7142.6172.1-73.7163.9000111.9
339P38.2Very low32.8Very low124 Ų124156.3 Ų156.381%0.80582%0.82SS**PPolyproline II helixtrans-78.5139.3-176.629.4-31.5000113.1
340R30.9Very low32.8Very low225 Ų225153.5 Ų153.585%0.84981%0.811SS**PPolyproline II helixtrans-72127.5176.6-168178.2-171.4160.61.9110.1
341Y31.6Very low32.7Very low217 Ų217154.2 Ų154.285%0.85181%0.813SS**PPolyproline II helixtrans-87.4120.5173.9-170.7-97.9000109.7
342E36.5Very low32.6Very low112 Ų112153.5 Ų153.552%0.52381%0.814SS.*  trans-116.3136.1172.5-85.4-79.8154.800107.5H344E342-H344 PolarHBondContact O-CE1 2.87Å; E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 2.91Å; E342-H344 PolarHBondContact O-NE2 3.19Å
343P33.1Very low32.7Very low108 Ų108150.1 Ų150.170%0.70181%0.807SS**  trans-85.6103.5178.732.3-28.1000109.9
344H31.6Very low32.6Very low167 Ų167146.2 Ų146.277%0.77380%0.802SS**  trans-97.7105.8172.23.3-84.3000110.3E342E342-H344 PolarHBondContact O-CE1 2.87Å; E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 2.91Å; E342-H344 PolarHBondContact O-NE2 3.19Å
345L36.6Very low32.7Very low166 Ų166145.3 Ų145.387%0.86980%0.796SS**  trans-97.1103.4164.4-159.580.5000107.8
346N29.6Very low32.4Very low162 Ų162140.2 Ų140.287%0.86679%0.788SS**  trans-164.2108.6161.2-90.8-37.2000110.2
347L30.1Very low32.1Very low183 Ų183140.4 Ų140.496%0.95879%0.793SS**  trans-124.794.3161.7-146.677.1000108.5
348R29.6Very low31.9Very low223 Ų223138.4 Ų138.484%0.84278%0.783SS**  trans-99147.5151.4-103-169.6170.8-179.8-2.1104.5
349T28.5Very low31.7Very low123 Ų123139.8 Ų139.876%0.75578%0.782SS**  cis-177.5152.59.35.60000105.3
350A28.8Very low31.3Very low79 Ų79138.2 Ų138.265%0.65377%0.774SS**  171.8103.4124.800000109.7
351T30.4Very low31.3Very low139 Ų139135 Ų13585%0.85377%0.772SS**  80.5133.6103.860.50000112.5
352A30.9Very low31.3Very low99 Ų99131.5 Ų131.582%0.81877%0.768SS**  cis-158.7175.312.500000106.1
353A33.2Very low31Very low81 Ų81130.1 Ų130.167%0.66978%0.776SS**  cis-166.6170.913.100000108.3
354N30.5Very low30.9Very low155 Ų155133.1 Ų133.183%0.82979%0.786SS**  trans80.1126.5154.1-84.912.1000118.1
355S32.7Very low30.9Very low105 Ų105128.8 Ų128.873%0.73479%0.787SS**  cis-165.7151.711-64.20000111.5
356G29.3Very low30.7Very low68 Ų68128.4 Ų128.470%0.70179%0.785SS**  trans85.587.1144.400000117.2
357S31.1Very low30.7Very low128 Ų128129 Ų12990%0.89579%0.788SS**  85.6122.270.473.50000114.4
358A32.8Very low30.7Very low75 Ų75132 Ų13262%0.6279%0.786SS**  trans-119.1-165-163.400000112.7
359F30.8Very low30.8Very low197 Ų197125 Ų12586%0.86478%0.783SS**  trans88.9146.9156.4-52.5-72.4000115.9
360S28.8Very low31Very low90 Ų90125.6 Ų125.663%0.62979%0.793SS**  cis178.3171.5-13.6-930000104.8
361I30.2Very low31.1Very low159 Ų159125.2 Ų125.282%0.81580%0.797SS**  trans177126.5131.9-86.6151.6000111.7
362N31.2Very low31.1Very low142 Ų142122.3 Ų122.376%0.75979%0.794SS**  trans33.7129146.4-63.3-10.7000125.9
363A31.1Very low31.4Very low84 Ų84123.5 Ų123.569%0.69480%0.796SS**  11.3142.1111.900000118
364N32Very low31.4Very low171 Ų171125.6 Ų125.691%0.91481%0.806SS**  cis-169.7159.529.1-112.4-10.8000108.3
365G30.4Very low31.3Very low76 Ų76121.6 Ų121.678%0.78480%0.802SS**  trans139.2106.6148.700000117.6
366N31.7Very low31.2Very low157 Ų157121.7 Ų121.784%0.8480%0.803SS**  trans-43.9145.9167.7-78.2-16.9000114.6
367L30.4Very low31.4Very low176 Ų176125.7 Ų125.792%0.92181%0.807SS**  175.4158.5113.3-94.2147.4000112.7
368R30.9Very low31.5Very low244 Ų244125.8 Ų125.892%0.92180%0.803SS**  trans-93.3150.4-168.9-173.3-177.3179.9-1313109.4
369G31.2Very low31.4Very low76 Ų76129.5 Ų129.578%0.78481%0.812SS**  trans140.1105153.100000117.9
370S33.1Very low31.4Very low137 Ų137126.1 Ų126.196%0.95881%0.808SS**  trans-23.6147.7155.3-168.50000118.9
371G29.6Very low31.6Very low71 Ų71129.9 Ų129.973%0.73282%0.821SS**  trans146.9120.413800000118
372G30.4Very low31.7Very low77 Ų77126.6 Ų126.679%0.79482%0.817SS**  trans78.3111.7144.900000118
373S37Very low31.7Very low124 Ų124124.9 Ų124.987%0.86782%0.816SS**  71.4101.775.6169.30000115.3
374S33.4Very low31.8Very low125 Ų125125.9 Ų125.987%0.87482%0.818SS**  trans177142.6137.749.90000106.1
375G29.6Very low31.8Very low72 Ų72124 Ų12474%0.74281%0.813SS**  cis129.8111.620.400000107.9
376S31.2Very low32.1Very low107 Ų107126.4 Ų126.475%0.74881%0.813SS**  trans100.6136.6141-133.80000121.9
377L31.7Very low32.6Very low151 Ų151124.8 Ų124.879%0.79181%0.811SS**  trans75.7128.3153.9-44.3175.6000116.8
378T34.1Very low32.6Very low131 Ų131121.8 Ų121.880%0.80480%0.804SS**  cis-163.7129.944.738.40000108
379N30.6Very low33.4Very low152 Ų152115.7 Ų115.781%0.81380%0.796SS**  97.7109.784.7-149.940.1000112.9
380T30.7Very low33.4Very low127 Ų127120 Ų12078%0.77980%0.802SS**  trans-80142173.545.60000111.1
381N32.7Very low33.5Very low169 Ų169124.8 Ų124.890%0.90480%0.799SS**  trans-126.9135.4155.9-117.7-2.6000109.7
382A32.5Very low33.5Very low89 Ų89125.8 Ų125.874%0.73680%0.8SS**  trans-79.2156.2-17200000113
383S32.4Very low33.9Very low106 Ų106131.8 Ų131.874%0.74180%0.804SS**  161.9127.7110.149.80000113.2
384S32.2Very low33.6Very low105 Ų105134.8 Ų134.873%0.73481%0.805SS**  trans41.4128.1143.558.10000121.5
385T31.8Very low33.8Very low131 Ų131140.1 Ų140.180%0.80481%0.806SS**  160.5123105.5-58.10000111.1
386T37.3Very low34.1Very low127 Ų127148 Ų14878%0.77981%0.813SS**  trans-88.6157.7162.549.50000109.6
387P41.9Very low34.2Very low123 Ų123149.6 Ų149.680%0.79981%0.813SS**  cis-148.4-179.140.335.6-10.5000117.5
388S31.3Very low34.7Very low113 Ų113150.2 Ų150.279%0.7982%0.816SS**  trans-55-173.9-179.5-350000117.1
389P47.6Very low35.1Very low116 Ų116152.7 Ų152.775%0.75382%0.818SS**  cis-135.3161.9-6.438.6-21000114.9
390D31.4Very low36.1Very low168 Ų168153.9 Ų153.990%0.89882%0.819SS**  trans-164.1153.1142-115.4-28.5000115.5
391R34Very low36.7Very low237 Ų237157.1 Ų157.189%0.89483%0.826SS**  trans-92.1124.8-158.5167.2-172174.2-176.2-0.8113.3
392A30.8Very low37.5Very low91 Ų91150.8 Ų150.875%0.75280%0.8SS**  trans-169.412514800000114.7
393K37Very low38.9Very low204 Ų204150.3 Ų150.389%0.88779%0.788SS**  trans34.4117.1141.8-66.1173.8176.8174.30119.5
394E32Very low39.7Very low187 Ų187148 Ų14887%0.87477%0.769SS**  trans-152.9124.6131.2-142.6159.9-16400112.3R396E394-R396 PolarHBondContact O-N 3.4Å
395R37.7Very low40.8Very low237 Ų237143.6 Ų143.689%0.89474%0.738SS**  trans-68.8116.1169.9-75.3174.4163.3-179.4-6.3107.1N397R395-N397 PolarHBondContact O-N 3.27Å
396R35.9Very low41.7Very low238 Ų238141.4 Ų141.490%0.89872%0.724SS**  trans-77.3111.6169.8-61.7-172.2-147.9158.15.8108.5E394 L398E394-R396 PolarHBondContact O-N 3.4Å; R396-L398 PolarHBondContact O-N 3.03Å
397N31.8Very low41.5Very low140 Ų140144.1 Ų144.175%0.74973%0.733SS**  trans-64.4122161.6-77.6-31000108R395 E399R395-N397 PolarHBondContact O-N 3.27Å; N397-E399 PolarHBondContact O-N 3.39Å
398L42.4Very low41.5Very low163 Ų163145.2 Ų145.285%0.85373%0.729SS**  trans-88.989.2164.3-78.7158.5000106.6R396 E400R396-L398 PolarHBondContact O-N 3.03Å; L398-E400 PolarHBondContact O-N 3.46Å
399E43.1Very low42Very low183 Ų183146.8 Ų146.886%0.85573%0.726SS**  trans-83.494.3161-72.2176.717300106.4N397N397-E399 PolarHBondContact O-N 3.39Å
400E52Low41.7Very low178 Ų178148.6 Ų148.683%0.83273%0.725SS**  trans-105.8115.2171-159.7171.6-16300107.3L398 G402L398-E400 PolarHBondContact O-N 3.46Å; E400-G402 PolarHBondContact O-N 3.31Å
401E43.5Very low42.3Very low195 Ų195147.4 Ų147.491%0.91171%0.714SS**PPolyproline II helixtrans-62.8118-173.7-64.1-159.7154.500111.3
402G48.1Very low42.9Very low36 Ų36141.8 Ų141.837%0.37170%0.703SS.*PPolyproline II helixtrans-92.9123.4171.100000111.4E400 V404E400-G402 PolarHBondContact O-N 3.31Å; G402-V404 PolarHBondContact O-N 3.47Å
403T62.1Low43.7Very low78 Ų78145.2 Ų145.248%0.47970%0.7SS.*PPolyproline II helixtrans-60.7125.8178.6-51.50000111.6Y175Y175-T403 WeakPolarHBondContact CD1-O 3.08Å
404V50.5Low44.1Very low58 Ų58141 Ų14135%0.35269%0.687SS.*PPolyproline II helixtrans-80.1128.2179.2-175.60000110.8Y175 G402 T406Y175-V404 HydrophobicContact CD1-CB 4.43Å; Y175-V404 HydrophobicContact CD1-CG2 4.42Å; Y175-V404 VanDerWaalsContact CE1-CA 3.4Å; Y175-V404 HydrophobicContact CE1-CB 3.65Å; Y175-V404 HydrophobicContact CE1-CG1 3.58Å; Y175-V404 HydrophobicContact CE1-CG2 3.56Å; G402-V404 PolarHBondContact O-N 3.47Å; V404-T406 HydrophobicContact CB-CG2 4.48Å; V404-T406 HydrophobicContact CG1-CG2 3.35Å; V404-T406 WeakPolarHBondContact CG1-OG1 3.25Å; V404-T406 PolarHBondContact O-N 3.4Å
405I55Low45.1Very low13 Ų13137.5 Ų137.57%0.06767%0.672CS.*  trans-76.278.1164.7-48.5-170.4000107.9T235 M238 I239T235-I405 HydrophobicContact CG2-CG1 4.12Å; M238-I405 HydrophobicContact SD-CD1 4.05Å; I239-I405 HydrophobicContact CD1-CG2 4.03Å; I239-I405 HydrophobicContact CG1-CG2 3.44Å; I239-I405 VanDerWaalsContact CG1-CG2 3.44Å
406T49.7Very low45.7Very low84 Ų84129.2 Ų129.252%0.51565%0.654SS.*  trans-115.8158.4169.835.20000109.2V404V404-T406 HydrophobicContact CB-CG2 4.48Å; V404-T406 HydrophobicContact CG1-CG2 3.35Å; V404-T406 WeakPolarHBondContact CG1-OG1 3.25Å; V404-T406 PolarHBondContact O-N 3.4Å
407L34.1Very low46.6Very low184 Ų184119.3 Ų119.396%0.96363%0.632SS**  trans-640173.7-70.9167.2000111.8

Retrieved 407 of 407 residues in 581.9 ms (Link to these results)