A0A087XZT5_POEFO Loading...

Golgi reassembly stacking protein 2

AlphaFold DB , UniProt , Accession A0A087XZT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 408 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
1M39.9Very low61.7Low250 Ų250109.5 Ų109.5100%1.23269%0.686SS**  0126.90-67.2178.4-75.400107.7
2G40.7Very low63.7Low76 Ų76103.3 Ų103.378%0.78466%0.659SS**  trans-135.6116.4172.300000108.2S4G2-S4 PolarHBondContact O-N 2.87Å
3A39.6Very low65.4Low98 Ų9898.8 Ų98.881%0.8164%0.644SS**  trans-83.5103177.900000108.9Q5A3-Q5 PolarHBondContact O-N 2.9Å; A3-Q5 VanDerWaalsContact O-N 3.14Å
4S48.1Very low67.1Low105 Ų10593.9 Ų93.973%0.73461%0.612SS**  trans-62.6110.6164.339.10000108.5G2 S6G2-S4 PolarHBondContact O-N 2.87Å; S4-S6 PolarHBondContact O-N 2.74Å
5Q47.5Very low68.7Low183 Ų18392.3 Ų92.386%0.85559%0.593SS**  trans-73.874.6175.4-69.2-176.2-12.400109.9A3A3-Q5 PolarHBondContact O-N 2.9Å; A3-Q5 VanDerWaalsContact O-N 3.14Å
6S63.3Low70.2Confident93 Ų9386.6 Ų86.665%0.6556%0.556SS**  trans-71.9132.6166.6450000109.7S4S4-S6 PolarHBondContact O-N 2.74Å
7V75.9Confident71.6Confident65 Ų6582.2 Ų82.239%0.39453%0.527SS..  trans-69.9135.1171.51610000109.4I9 Q77 V79V7-I9 PolarHBondContact O-N 2.95Å; V7-Q77 WeakPolarHBondContact CG2-O 3.38Å; V7-V79 HydrophobicContact CG1-CG2 3.99Å
8Q79.2Confident72.8Confident184 Ų18477.7 Ų77.786%0.8650%0.497SS*.  trans-69.6104.2-177.6-173.1175.28.600110.5P10Q8-P10 WeakPolarHBondContact O-CD 3.39Å
9I85.4Confident73.8Confident17 Ų1773.6 Ų73.69%0.08747%0.471CS..  trans-69.6124.5177.7-55.8-54.2000110.2V7 G11 G12 I41 Y72 V79 F105V7-I9 PolarHBondContact O-N 2.95Å; I9-G11 PolarHBondContact O-N 3.33Å; I9-G12 PolarHBondContact O-N 2.85Å; I9-I41 HydrophobicContact CG2-CD1 3.9Å; I9-Y72 HydrophobicContact CD1-CD2 3.76Å; I9-Y72 HydrophobicContact CD1-CE2 4.41Å; I9-Y72 HydrophobicContact CD1-CG 4.19Å; I9-V79 HydrophobicContact CD1-CG2 3.83Å; I9-F105 HydrophobicContact CD1-CE1 3.9Å; I9-F105 HydrophobicContact CD1-CZ 3.77Å; I9-F105 HydrophobicContact CG1-CE1 3.83Å; I9-F105 HydrophobicContact CG1-CZ 3.57Å
10P80.2Confident74.5Confident64 Ų6470.4 Ų70.442%0.41645%0.45SS..THydrogen-bonded Turntrans-56.2131171.4-26.737.3000111.1Q8 G12 R47 L70Q8-P10 WeakPolarHBondContact O-CD 3.39Å; P10-G12 PolarHBondContact O-N 2.74Å; P10-R47 VanDerWaalsContact O-CD 3.28Å; P10-R47 WeakPolarHBondContact O-CD 3.39Å; P10-R47 PolarHBondContact O-NE 2.86Å; P10-L70 HydrophobicContact CB-CD2 4.22Å; P10-L70 HydrophobicContact CG-CD2 3.92Å
11G78.8Confident75.1Confident70 Ų7070.7 Ų70.772%0.72244%0.442SS*.THydrogen-bonded Turntrans75.4-1.2-174.100000115.7I9I9-G11 PolarHBondContact O-N 3.33Å
12G85.7Confident77.7Confident35 Ų3559.8 Ų59.836%0.36139%0.39SS..  trans73.3-172.1176.200000115I9 P10 R47I9-G12 PolarHBondContact O-N 2.85Å; P10-G12 PolarHBondContact O-N 2.74Å; G12-R47 VanDerWaalsContact O-CZ 3.23Å; G12-R47 PolarHBondContact O-NE 3.44Å; G12-R47 PolarHBondContact O-NH2 2.97Å
13G86.4Confident80.1Confident45 Ų4558.5 Ų58.546%0.46436%0.363SS..  trans72.4154.5-175.300000113.8R47G13-R47 PolarHBondContact O-NH2 3.49Å
14S88.4Confident82.6Confident29 Ų2961 Ų6120%0.20336%0.359CS..SBendtrans-100.715.9177.371.60000113.9S104 F105 E106S14-S104 CarbonylContact O-C 3.49Å; S14-S104 WeakPolarHBondContact O-CA 3.12Å; S14-S104 PolarHBondContact O-OG 3.1Å; S14-S104 PolarHBondContact OG-OG 3.16Å; S14-F105 WeakPolarHBondContact O-CD1 3.27Å; S14-F105 VanDerWaalsContact O-CE1 3.26Å; S14-F105 WeakPolarHBondContact O-CE1 3.47Å; S14-F105 WeakPolarHBondContact O-CG 2.9Å; S14-F105 PolarHBondContact O-N 2.73Å; S14-E106 VanDerWaalsContact CB-OE2 3.31Å; S14-E106 WeakPolarHBondContact CB-OE2 3.33Å; S14-E106 PolarHBondContact OG-OE2 3.05Å
15E90.9Very high84.8Confident71 Ų7162.1 Ų62.133%0.33235%0.352SS..EExtended strand (participates in β ladder)trans-113.2156.3-172.4-54126.8122.600114.4R47 F102 C103E15-R47 VanDerWaalsContact O-CZ 3.28Å; E15-R47 PolarHBondContact O-NH1 3.21Å; E15-R47 PolarHBondContact O-NH2 2.79Å; E15-F102 HydrophobicContact CB-CE1 4.02Å; E15-F102 HydrophobicContact CB-CE2 4.06Å; E15-F102 HydrophobicContact CB-CZ 3.45Å; E15-F102 VanDerWaalsContact CB-CZ 3.45Å; E15-F102 HydrophobicContact CG-CE1 4.31Å; E15-F102 HydrophobicContact CG-CZ 4.14Å; E15-C103 WeakPolarHBondContact CA-O 3.3Å
16G93.9Very high87.2Confident0 Ų053.4 Ų53.40%031%0.311CS..EExtended strand (participates in β ladder)trans-176.4-174.7172.200000111.6H18 I40 F102 C103G16-H18 PolarHBondContact O-N 2.66Å; G16-I40 WeakPolarHBondContact CA-O 3.44Å; G16-F102 WeakPolarHBondContact O-CA 3.43Å; G16-C103 PolarHBondContact N-O 2.95Å; G16-C103 PolarHBondContact O-N 2.85Å; G16-C103 VanDerWaalsContact O-O 3.12Å
17Y93.9Very high88.8Confident13 Ų1349.7 Ų49.75%0.05129%0.285CS..EExtended strand (participates in β ladder)trans-86.9101.9174.7-72.5-85.6000110.6V19 F39 I40 L48 R50 D51 N52 L55 I100 R101 F102Y17-V19 PolarHBondContact O-N 2.69Å; Y17-F39 CarbonylContact O-C 3.56Å; Y17-F39 WeakPolarHBondContact O-CA 3.39Å; Y17-I40 PolarHBondContact N-O 3.11Å; Y17-I40 PolarHBondContact O-N 2.92Å; Y17-L48 HydrophobicContact CD2-CB 4.14Å; Y17-L48 HydrophobicContact CD2-CD1 4.02Å; Y17-L48 HydrophobicContact CE2-CB 4.21Å; Y17-L48 HydrophobicContact CE2-CD1 4.39Å; Y17-R50 PolarHBondContact OH-O 2.8Å; Y17-D51 WeakPolarHBondContact OH-CA 3.26Å; Y17-D51 PolarHBondContact OH-OD1 2.84Å; Y17-N52 PolarHBondContact OH-N 3.38Å; Y17-N52 PolarHBondContact OH-O 2.87Å; Y17-L55 HydrophobicContact CD1-CD2 4.22Å; Y17-L55 HydrophobicContact CD2-CB 4.42Å; Y17-L55 HydrophobicContact CD2-CD2 3.64Å; Y17-L55 HydrophobicContact CE2-CB 4.06Å; Y17-L55 HydrophobicContact CE2-CD2 4.02Å; Y17-L55 HydrophobicContact CG-CD2 3.75Å; Y17-I100 HydrophobicContact CD1-CB 4.49Å; Y17-I100 HydrophobicContact CD1-CD1 3.76Å; Y17-I100 HydrophobicContact CD1-CG1 4.18Å; Y17-I100 HydrophobicContact CE1-CD1 4.44Å; Y17-I100 HydrophobicContact CG-CD1 4.15Å; Y17-R101 CarbonylContact C-O 3.57Å; Y17-F102 HydrophobicContact CD1-CB 4.06Å; Y17-F102 HydrophobicContact CD2-CD2 4.24Å; Y17-F102 HydrophobicContact CE1-CB 3.78Å; Y17-F102 HydrophobicContact CE1-CD2 4.3Å; Y17-F102 AromaticContact CE2-CD2 4Å; Y17-F102 HydrophobicContact CE2-CD2 4Å
18H92Very high89.8Confident0 Ų046.6 Ų46.60%027%0.266CS..EExtended strand (participates in β ladder)trans-62.1123.1172.5-175-174.4000110G16 L20 F36 F39 I100 R101 C103G16-H18 PolarHBondContact O-N 2.66Å; H18-L20 PolarHBondContact O-N 2.64Å; H18-F36 PolarHBondContact CD2-O 3.06Å; H18-F36 AromaticContact NE2-CD2 3.18Å; H18-F36 WeakPolarHBondContact NE2-CD2 3.13Å; H18-F36 AromaticContact NE2-CE2 2.88Å; H18-F36 WeakPolarHBondContact NE2-CE2 3.46Å; H18-F36 AromaticContact NE2-CZ 3.95Å; H18-F39 HydrophobicContact CB-CD1 3.73Å; H18-F39 HydrophobicContact CB-CE1 3.41Å; H18-F39 VanDerWaalsContact CB-CE1 3.41Å; H18-F39 HydrophobicContact CB-CZ 4.09Å; H18-F39 AromaticContact CD2-CE1 3.72Å; H18-F39 AromaticContact CD2-CE2 3.99Å; H18-F39 AromaticContact CD2-CZ 3.42Å; H18-F39 VanDerWaalsContact CD2-CZ 3.42Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.37Å; H18-F39 AromaticContact CG-CE1 3.41Å; H18-F39 VanDerWaalsContact CG-CE1 3.41Å; H18-F39 AromaticContact CG-CZ 3.58Å; H18-F39 AromaticContact ND1-CE1 3.92Å; H18-F39 AromaticContact ND1-CZ 3.98Å; H18-I100 CarbonylContact O-C 3.58Å; H18-I100 VanDerWaalsContact O-CA 3.23Å; H18-I100 WeakPolarHBondContact O-CA 3.37Å; H18-R101 VanDerWaalsContact CB-O 3.3Å; H18-R101 WeakPolarHBondContact CB-O 3.38Å; H18-R101 PolarHBondContact CE1-NE 3.45Å; H18-R101 PolarHBondContact CE1-NH2 2.8Å; H18-R101 PolarHBondContact N-O 2.84Å; H18-R101 PolarHBondContact NE2-NH2 2.86Å; H18-R101 PolarHBondContact O-N 3.04Å; H18-C103 PolarHBondContact CE1-SG 3.2Å
19V92.8Very high90.6Very high0 Ų043.8 Ų43.80%025%0.249CC..EExtended strand (participates in β ladder)trans-78.6115.2175.5-177.20000108.9Y17 V22 L33 F36 D38 I40 L98Y17-V19 PolarHBondContact O-N 2.69Å; V19-V22 HydrophobicContact CG1-CG2 3.74Å; V19-L33 HydrophobicContact CG2-CD2 4.16Å; V19-F36 VanDerWaalsContact O-CA 3.24Å; V19-F36 WeakPolarHBondContact O-CA 3.38Å; V19-F36 PolarHBondContact O-N 2.78Å; V19-D38 HydrophobicContact CB-CB 4.44Å; V19-D38 HydrophobicContact CG2-CB 4.07Å; V19-D38 PolarHBondContact N-O 3.26Å; V19-I40 HydrophobicContact CG2-CD1 4.41Å; V19-I40 HydrophobicContact CG2-CG1 4.15Å; V19-L98 HydrophobicContact CG1-CD2 4.22Å
20L87.8Confident91.1Very high9 Ų949.1 Ų49.15%0.04727%0.273CS..EExtended strand (participates in β ladder)trans-93.4-37.6179-57.6179.6000112.1H18 S99 R101 Y164H18-L20 PolarHBondContact O-N 2.64Å; L20-S99 PolarHBondContact N-O 3.14Å; L20-R101 HydrophobicContact CD1-CB 4.05Å; L20-R101 HydrophobicContact CG-CB 4.47Å; L20-Y164 HydrophobicContact CB-CG 4.38Å; L20-Y164 HydrophobicContact CD1-CD2 4.16Å; L20-Y164 HydrophobicContact CD1-CE2 4.39Å
21R87.5Confident91.8Very high77 Ų7746.6 Ų46.629%0.29126%0.258SS..EExtended strand (participates in β ladder)trans-145.9144.7-179.7-171.9178.9178.2-170.6-1.7109.9L98 S99 Y164 E175R21-L98 WeakPolarHBondContact O-CA 3.35Å; R21-S99 PolarHBondContact N-O 2.88Å; R21-S99 PolarHBondContact O-N 2.8Å; R21-Y164 HydrophobicContact CB-CD1 4.25Å; R21-Y164 HydrophobicContact CB-CE1 4.21Å; R21-E175 IonicContact CZ-OE2 3.59Å; R21-E175 IonicContact NH1-OE1 2.87Å; R21-E175 IonicContact NH1-OE2 3.49Å; R21-E175 PolarHBondContact NH1-OE2 3.34Å
22V93.3Very high92.6Very high21 Ų2153 Ų5313%0.12726%0.26CS..EExtended strand (participates in β ladder)trans-118.5128.6167.6179.90000107V19 Y29 L33 P35 L98V19-V22 HydrophobicContact CG1-CG2 3.74Å; V22-Y29 VanDerWaalsContact CG1-N 3.33Å; V22-L33 HydrophobicContact CG2-CB 4.12Å; V22-P35 HydrophobicContact CB-CG 4.09Å; V22-P35 HydrophobicContact CG2-CG 3.81Å; V22-L98 HydrophobicContact CB-CD2 4.24Å; V22-L98 HydrophobicContact CG1-CD2 4.22Å; V22-L98 HydrophobicContact CG2-CD2 3.67Å
23Q92.1Very high93.1Very high49 Ų4951.8 Ų51.823%0.22925%0.245CC..  trans-77.5141.5173.2-72.5167.468.400109.8S26 Y29 W90 Q93 G97Q23-S26 WeakPolarHBondContact O-CB 3.12Å; Q23-S26 PolarHBondContact O-N 2.72Å; Q23-S26 PolarHBondContact O-OG 2.98Å; Q23-Y29 WeakPolarHBondContact O-CB 3.48Å; Q23-W90 HydrophobicContact CB-CH2 3.85Å; Q23-W90 HydrophobicContact CB-CZ3 4.16Å; Q23-W90 HydrophobicContact CG-CH2 4.45Å; Q23-Q93 PolarHBondContact NE2-O 3.03Å; Q23-Q93 VanDerWaalsContact NE2-O 3.1Å; Q23-G97 WeakPolarHBondContact CB-O 3.48Å; Q23-G97 WeakPolarHBondContact CG-O 3.48Å; Q23-G97 PolarHBondContact N-O 3.37Å; Q23-G97 PolarHBondContact NE2-O 2.84Å
24E92.1Very high93.4Very high152 Ų15253 Ų5371%0.7124%0.239SC*.THydrogen-bonded Turntrans-60.1147.3176.4-62-176.9155.800111.1S26E24-S26 PolarHBondContact O-N 2.88Å
25H94.4Very high93.5Very high128 Ų12853.3 Ų53.359%0.59324%0.24SC*.THydrogen-bonded Turntrans57.28.1-177.2-52-66.4000116.1H30H25-H30 PolarHBondContact O-CD2 2.87Å; H25-H30 PolarHBondContact O-NE2 2.87Å
26S96.8Very high93.4Very high0 Ų050 Ų500%022%0.224CC..SBendtrans-73.6162.9174.969.60000113.2Q23 E24 G28 Y29 H30 W90 L96Q23-S26 WeakPolarHBondContact O-CB 3.12Å; Q23-S26 PolarHBondContact O-N 2.72Å; Q23-S26 PolarHBondContact O-OG 2.98Å; E24-S26 PolarHBondContact O-N 2.88Å; S26-G28 PolarHBondContact O-N 2.79Å; S26-G28 PolarHBondContact OG-N 3.48Å; S26-Y29 WeakPolarHBondContact O-CB 3.46Å; S26-Y29 PolarHBondContact O-N 2.75Å; S26-Y29 VanDerWaalsContact O-N 3.08Å; S26-Y29 PolarHBondContact OG-N 3.21Å; S26-Y29 VanDerWaalsContact OG-N 3.08Å; S26-H30 PolarHBondContact O-CD2 2.87Å; S26-H30 PolarHBondContact O-N 2.95Å; S26-W90 VanDerWaalsContact CB-CZ3 3.45Å; S26-L96 WeakPolarHBondContact CB-O 3.47Å; S26-L96 PolarHBondContact OG-O 2.84Å
27P97.6Very high93.3Very high15 Ų1550.4 Ų50.410%0.09723%0.226CC..Hα-helixtrans-55.8-34.2169.2-28.136.9000113.6H30 A31 I84 T85 W90 L96P27-H30 PolarHBondContact O-N 3.48Å; P27-A31 VanDerWaalsContact O-CB 3.27Å; P27-A31 WeakPolarHBondContact O-CB 3.31Å; P27-A31 PolarHBondContact O-N 2.97Å; P27-I84 HydrophobicContact CB-CG1 4.13Å; P27-T85 VanDerWaalsContact CB-O 3.27Å; P27-T85 WeakPolarHBondContact CB-O 3.46Å; P27-T85 WeakPolarHBondContact CG-O 3.48Å; P27-W90 HydrophobicContact CG-CG 4.36Å; P27-L96 HydrophobicContact CB-CD2 4.24Å
28G96.7Very high93.3Very high0 Ų049.8 Ų49.80%022%0.223CC..Hα-helixtrans-64-41.1173.500000113.3S26 R32 L33 L96S26-G28 PolarHBondContact O-N 2.79Å; S26-G28 PolarHBondContact OG-N 3.48Å; G28-R32 PolarHBondContact O-N 3.49Å; G28-L33 PolarHBondContact O-N 3.19Å; G28-L33 VanDerWaalsContact O-N 3.08Å; G28-L96 PolarHBondContact N-O 2.89Å
29Y95.4Very high93.5Very high125 Ų12549.8 Ų49.849%0.4922%0.223SC..Hα-helixtrans-63.5-48.3174.2179-94000111.1V22 Q23 S26 A31 R32V22-Y29 VanDerWaalsContact CG1-N 3.33Å; Q23-Y29 WeakPolarHBondContact O-CB 3.48Å; S26-Y29 WeakPolarHBondContact O-CB 3.46Å; S26-Y29 PolarHBondContact O-N 2.75Å; S26-Y29 VanDerWaalsContact O-N 3.08Å; S26-Y29 PolarHBondContact OG-N 3.21Å; S26-Y29 VanDerWaalsContact OG-N 3.08Å; Y29-A31 VanDerWaalsContact C-N 3.34Å; Y29-A31 PolarHBondContact O-N 3.37Å; Y29-R32 PolarHBondContact O-N 3.47Å
30H95.9Very high93.7Very high128 Ų12849.8 Ų49.859%0.59322%0.224SC*.Hα-helixtrans-66-32.7179.4-73.4-65000113.5H25 S26 P27 R32H25-H30 PolarHBondContact O-CD2 2.87Å; H25-H30 PolarHBondContact O-NE2 2.87Å; S26-H30 PolarHBondContact O-CD2 2.87Å; S26-H30 PolarHBondContact O-N 2.95Å; P27-H30 PolarHBondContact O-N 3.48Å; H30-R32 PolarHBondContact O-N 3.06Å
31A96.4Very high94.1Very high12 Ų1249.4 Ų49.410%0.09922%0.222CC..THydrogen-bonded Turntrans-80.42.5173.400000114.4P27 Y29 L33 T82 I84P27-A31 VanDerWaalsContact O-CB 3.27Å; P27-A31 WeakPolarHBondContact O-CB 3.31Å; P27-A31 PolarHBondContact O-N 2.97Å; Y29-A31 VanDerWaalsContact C-N 3.34Å; Y29-A31 PolarHBondContact O-N 3.37Å; A31-L33 HydrophobicContact CB-CD1 3.84Å; A31-T82 PolarHBondContact O-OG1 3.23Å; A31-I84 HydrophobicContact CB-CB 3.74Å; A31-I84 HydrophobicContact CB-CD1 3.75Å; A31-I84 HydrophobicContact CB-CG1 3.66Å
32R95.2Very high94.4Very high205 Ų20546.4 Ų46.477%0.77421%0.212SC*.THydrogen-bonded Turntrans54.654.6179.6-55.4-176.5-175.8-175.20.1113.4G28 Y29 H30 R80G28-R32 PolarHBondContact O-N 3.49Å; Y29-R32 PolarHBondContact O-N 3.47Å; H30-R32 PolarHBondContact O-N 3.06Å; R32-R80 PolarHBondContact O-NH2 3.29Å
33L95.6Very high94.6Very high9 Ų945.4 Ų45.45%0.04721%0.206CC..  trans-77133.3163-81.962.2000108.9V19 V22 G28 A31 D38 M69 L71 T82 I84 L98V19-L33 HydrophobicContact CG2-CD2 4.16Å; V22-L33 HydrophobicContact CG2-CB 4.12Å; G28-L33 PolarHBondContact O-N 3.19Å; G28-L33 VanDerWaalsContact O-N 3.08Å; A31-L33 HydrophobicContact CB-CD1 3.84Å; L33-D38 WeakPolarHBondContact CA-OD2 3.42Å; L33-M69 HydrophobicContact CD2-SD 4.36Å; L33-L71 HydrophobicContact CD1-CD1 3.85Å; L33-L71 HydrophobicContact CG-CD1 3.87Å; L33-L71 HydrophobicContact CG-CD2 4.24Å; L33-T82 HydrophobicContact CD1-CG2 4.2Å; L33-I84 HydrophobicContact CD1-CD1 4.23Å; L33-L98 HydrophobicContact CD2-CD1 3.52Å; L33-L98 HydrophobicContact CD2-CD2 3.89Å; L33-L98 HydrophobicContact CD2-CG 4.35Å
34E92.6Very high94.5Very high71 Ų7144.8 Ų44.833%0.33221%0.207SC..  trans-93.2115.3177.7-68.7175.7-160.800109.3F37 D38 N73E34-F37 HydrophobicContact CB-CB 4.31Å; E34-F37 PolarHBondContact O-N 2.95Å; E34-D38 PolarHBondContact N-OD2 3.41Å; E34-D38 WeakPolarHBondContact O-CB 3.28Å; E34-D38 PolarHBondContact O-N 3.37Å; E34-D38 VanDerWaalsContact O-N 3.1Å; E34-N73 PolarHBondContact OE2-ND2 3.45Å
35P90.9Very high94.4Very high34 Ų3445.2 Ų45.222%0.22121%0.214CC..THydrogen-bonded Turntrans-54143.4172.4-23.833000112.2V22 F37 C173V22-P35 HydrophobicContact CB-CG 4.09Å; V22-P35 HydrophobicContact CG2-CG 3.81Å; P35-F37 WeakPolarHBondContact O-CD2 3.48Å; P35-F37 PolarHBondContact O-N 3.33Å; P35-C173 HydrophobicContact CB-CB 3.63Å; P35-C173 VanDerWaalsContact CB-SG 3.53Å
36F88.4Confident94.4Very high3 Ų341.9 Ų41.91%0.01320%0.203CC..THydrogen-bonded Turntrans60.3-30.9-174-174.3-102.4000117.1H18 V19 V112 I137 I202H18-F36 PolarHBondContact CD2-O 3.06Å; H18-F36 AromaticContact NE2-CD2 3.18Å; H18-F36 WeakPolarHBondContact NE2-CD2 3.13Å; H18-F36 AromaticContact NE2-CE2 2.88Å; H18-F36 WeakPolarHBondContact NE2-CE2 3.46Å; H18-F36 AromaticContact NE2-CZ 3.95Å; V19-F36 VanDerWaalsContact O-CA 3.24Å; V19-F36 WeakPolarHBondContact O-CA 3.38Å; V19-F36 PolarHBondContact O-N 2.78Å; F36-V112 HydrophobicContact CE2-CG2 4.01Å; F36-V112 HydrophobicContact CZ-CG2 3.57Å; F36-I137 HydrophobicContact CB-CD1 3.8Å; F36-I137 HydrophobicContact CD1-CG2 4.46Å; F36-I137 HydrophobicContact CD2-CB 3.5Å; F36-I137 HydrophobicContact CD2-CD1 3.78Å; F36-I137 HydrophobicContact CD2-CG1 4.23Å; F36-I137 HydrophobicContact CD2-CG2 3.37Å; F36-I137 HydrophobicContact CE2-CB 3.71Å; F36-I137 HydrophobicContact CE2-CG2 3.43Å; F36-I137 VanDerWaalsContact CE2-CG2 3.43Å; F36-I137 HydrophobicContact CG-CB 4.38Å; F36-I137 HydrophobicContact CG-CD1 4.09Å; F36-I137 HydrophobicContact CG-CG2 3.91Å; F36-I137 HydrophobicContact CZ-CG2 4.06Å; F36-I202 HydrophobicContact CD1-CD1 3.67Å; F36-I202 HydrophobicContact CE1-CB 4.49Å; F36-I202 HydrophobicContact CE1-CD1 3.41Å; F36-I202 VanDerWaalsContact CE1-CD1 3.41Å; F36-I202 HydrophobicContact CG-CD1 4.35Å; F36-I202 HydrophobicContact CZ-CD1 3.87Å
37F91.4Very high94.3Very high7 Ų743.6 Ų43.63%0.03121%0.209CC..THydrogen-bonded Turntrans-89.1-28.4-176.2-55.6-70.4000113E34 P35 F39 N73 S74 R75 Y166 I202E34-F37 HydrophobicContact CB-CB 4.31Å; E34-F37 PolarHBondContact O-N 2.95Å; P35-F37 WeakPolarHBondContact O-CD2 3.48Å; P35-F37 PolarHBondContact O-N 3.33Å; F37-F39 WeakPolarHBondContact O-CD2 3.45Å; F37-F39 WeakPolarHBondContact O-CE2 3.29Å; F37-N73 WeakPolarHBondContact CB-ND2 3.36Å; F37-N73 CarbonylContact O-C 3.57Å; F37-N73 VanDerWaalsContact O-CA 3.29Å; F37-N73 WeakPolarHBondContact O-CA 3.47Å; F37-S74 PolarHBondContact O-N 3.08Å; F37-R75 HydrophobicContact CB-CB 4.19Å; F37-R75 HydrophobicContact CD1-CB 3.59Å; F37-R75 HydrophobicContact CE1-CB 4.22Å; F37-R75 HydrophobicContact CG-CB 3.93Å; F37-Y166 HydrophobicContact CE2-CD2 4.08Å; F37-Y166 AromaticContact CE2-CE2 3.57Å; F37-Y166 HydrophobicContact CE2-CE2 3.57Å; F37-Y166 HydrophobicContact CZ-CD2 4.21Å; F37-Y166 AromaticContact CZ-CE2 3.68Å; F37-Y166 HydrophobicContact CZ-CE2 3.68Å; F37-Y166 AromaticContact CZ-CZ 3.83Å; F37-I202 HydrophobicContact CE1-CG2 4.01Å; F37-I202 HydrophobicContact CZ-CG2 3.92Å
38D94.6Very high94.2Very high0 Ų043 Ų430%021%0.205CC..EExtended strand (participates in β ladder)trans-89.8143.3-178-75.2-20.6000115.4V19 L33 E34 Y72 N73 R80V19-D38 HydrophobicContact CB-CB 4.44Å; V19-D38 HydrophobicContact CG2-CB 4.07Å; V19-D38 PolarHBondContact N-O 3.26Å; L33-D38 WeakPolarHBondContact CA-OD2 3.42Å; E34-D38 PolarHBondContact N-OD2 3.41Å; E34-D38 WeakPolarHBondContact O-CB 3.28Å; E34-D38 PolarHBondContact O-N 3.37Å; E34-D38 VanDerWaalsContact O-N 3.1Å; D38-Y72 CarbonylContact C-O 3.55Å; D38-Y72 WeakPolarHBondContact CA-O 3.3Å; D38-N73 WeakPolarHBondContact OD1-CB 3.42Å; D38-N73 PolarHBondContact OD1-ND2 3.08Å; D38-R80 IonicContact OD1-CZ 2.72Å; D38-R80 IonicContact OD1-NH1 2.64Å; D38-R80 PolarHBondContact OD1-NH1 3.05Å; D38-R80 IonicContact OD1-NH2 3.45Å; D38-R80 PolarHBondContact OD1-NH2 3.48Å; D38-R80 IonicContact OD2-CZ 3.37Å; D38-R80 IonicContact OD2-NH1 2.69Å; D38-R80 PolarHBondContact OD2-NH1 3.25Å; D38-R80 IonicContact OD2-NH2 3.42Å; D38-R80 PolarHBondContact OD2-NH2 3.41Å
39F95.3Very high93.9Very high0 Ų046.5 Ų46.50%022%0.224CC..EExtended strand (participates in β ladder)trans-126.7114.8175-64.1-101.9000108.4Y17 H18 F37 I41 L71 Y72 F105 A108Y17-F39 CarbonylContact O-C 3.56Å; Y17-F39 WeakPolarHBondContact O-CA 3.39Å; H18-F39 HydrophobicContact CB-CD1 3.73Å; H18-F39 HydrophobicContact CB-CE1 3.41Å; H18-F39 VanDerWaalsContact CB-CE1 3.41Å; H18-F39 HydrophobicContact CB-CZ 4.09Å; H18-F39 AromaticContact CD2-CE1 3.72Å; H18-F39 AromaticContact CD2-CE2 3.99Å; H18-F39 AromaticContact CD2-CZ 3.42Å; H18-F39 VanDerWaalsContact CD2-CZ 3.42Å; H18-F39 WeakPolarHBondContact CD2-CZ 3.37Å; H18-F39 AromaticContact CG-CE1 3.41Å; H18-F39 VanDerWaalsContact CG-CE1 3.41Å; H18-F39 AromaticContact CG-CZ 3.58Å; H18-F39 AromaticContact ND1-CE1 3.92Å; H18-F39 AromaticContact ND1-CZ 3.98Å; F37-F39 WeakPolarHBondContact O-CD2 3.45Å; F37-F39 WeakPolarHBondContact O-CE2 3.29Å; F39-I41 HydrophobicContact CB-CG2 4.47Å; F39-I41 PolarHBondContact O-N 2.77Å; F39-I41 VanDerWaalsContact O-N 3.11Å; F39-L71 WeakPolarHBondContact O-CA 3.27Å; F39-Y72 HydrophobicContact CB-CD1 4.42Å; F39-Y72 HydrophobicContact CD2-CD1 4Å; F39-Y72 HydrophobicContact CG-CD1 4.39Å; F39-Y72 PolarHBondContact N-O 2.97Å; F39-Y72 PolarHBondContact O-N 3.21Å; F39-F105 HydrophobicContact CD1-CB 3.67Å; F39-F105 HydrophobicContact CD2-CB 3.96Å; F39-F105 HydrophobicContact CE1-CB 3.73Å; F39-F105 HydrophobicContact CE2-CB 4.09Å; F39-F105 HydrophobicContact CG-CB 3.81Å; F39-F105 HydrophobicContact CZ-CB 3.99Å; F39-A108 HydrophobicContact CE1-CB 3.54Å; F39-A108 HydrophobicContact CZ-CB 3.33Å
40I96.7Very high93.7Very high1 Ų149.2 Ų49.21%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-70.9106.5173.9-48.8173.4000107.7G16 Y17 V19 V43 L48 M69 L71 L98G16-I40 WeakPolarHBondContact CA-O 3.44Å; Y17-I40 PolarHBondContact N-O 3.11Å; Y17-I40 PolarHBondContact O-N 2.92Å; V19-I40 HydrophobicContact CG2-CD1 4.41Å; V19-I40 HydrophobicContact CG2-CG1 4.15Å; I40-V43 HydrophobicContact CG2-CG2 3.85Å; I40-L48 HydrophobicContact CG2-CD1 3.88Å; I40-M69 HydrophobicContact CD1-CE 4.07Å; I40-M69 HydrophobicContact CD1-SD 4.09Å; I40-M69 HydrophobicContact CG1-SD 4.04Å; I40-M69 HydrophobicContact CG2-CE 3.87Å; I40-M69 HydrophobicContact CG2-CG 3.74Å; I40-M69 HydrophobicContact CG2-SD 3.8Å; I40-L71 HydrophobicContact CB-CD2 4.37Å; I40-L71 HydrophobicContact CG1-CD2 3.87Å; I40-L98 HydrophobicContact CD1-CD1 3.99Å
41I96Very high93.4Very high1 Ų147 Ų471%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-98.7-29.2-176.752.9163000112.8I9 F39 R47 L48 L70 V79I9-I41 HydrophobicContact CG2-CD1 3.9Å; F39-I41 HydrophobicContact CB-CG2 4.47Å; F39-I41 PolarHBondContact O-N 2.77Å; F39-I41 VanDerWaalsContact O-N 3.11Å; I41-R47 WeakPolarHBondContact O-CD 3.44Å; I41-R47 PolarHBondContact O-NH1 3.07Å; I41-L48 PolarHBondContact O-N 2.85Å; I41-L70 HydrophobicContact CD1-CB 4.05Å; I41-L70 HydrophobicContact CG1-CB 3.8Å; I41-L70 WeakPolarHBondContact CG1-O 3.33Å; I41-L70 PolarHBondContact N-O 2.67Å; I41-V79 HydrophobicContact CD1-CG1 3.91Å; I41-V79 HydrophobicContact CD1-CG2 4.1Å
42S95.8Very high93.2Very high13 Ų1350 Ų509%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-149.3155.117075.70000112.7T46 M69 L70S42-T46 WeakPolarHBondContact CA-O 3.22Å; S42-T46 WeakPolarHBondContact CB-O 3.19Å; S42-M69 WeakPolarHBondContact O-CA 3.24Å; S42-L70 PolarHBondContact O-N 3.2Å; S42-L70 WeakPolarHBondContact OG-CB 3.2Å
43V95.8Very high93.2Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-133.1131.7173.5170.80000108.1I40 D45 T46 L48 L55 L58 V67 M69I40-V43 HydrophobicContact CG2-CG2 3.85Å; V43-D45 PolarHBondContact O-N 3.49Å; V43-T46 PolarHBondContact N-O 2.77Å; V43-T46 VanDerWaalsContact N-O 3.09Å; V43-T46 WeakPolarHBondContact O-CB 3.21Å; V43-T46 PolarHBondContact O-N 2.8Å; V43-L48 HydrophobicContact CB-CD1 4.45Å; V43-L48 HydrophobicContact CG2-CD1 3.95Å; V43-L55 HydrophobicContact CG2-CD1 3.71Å; V43-L58 HydrophobicContact CB-CD1 4.2Å; V43-L58 HydrophobicContact CG1-CB 4.03Å; V43-L58 HydrophobicContact CG1-CD1 4.27Å; V43-V67 HydrophobicContact CG1-CG1 3.6Å; V43-M69 HydrophobicContact CG2-CE 3.58Å; V43-M69 HydrophobicContact CG2-CG 4.12Å
44C90.5Very high93.1Very high37 Ų3745.3 Ų45.325%0.2523%0.232CC..THydrogen-bonded Turntrans46.7-138.7-153-54.90000109T46 K68C44-T46 VanDerWaalsContact C-N 3.28Å; C44-T46 PolarHBondContact O-N 2.81Å; C44-K68 PolarHBondContact N-O 3.33Å
45D89.4Confident93.3Very high160 Ų16042.3 Ų42.386%0.85622%0.218SC*.THydrogen-bonded Turntrans-85.87.7174.9-46.1-83.9000113.4V43V43-D45 PolarHBondContact O-N 3.49Å
46T94.3Very high93.4Very high58 Ų5844.1 Ų44.136%0.35622%0.223SC..EExtended strand (participates in β ladder)trans-94.5115-174.9-600000111.9S42 V43 C44 T54 L58S42-T46 WeakPolarHBondContact CA-O 3.22Å; S42-T46 WeakPolarHBondContact CB-O 3.19Å; V43-T46 PolarHBondContact N-O 2.77Å; V43-T46 VanDerWaalsContact N-O 3.09Å; V43-T46 WeakPolarHBondContact O-CB 3.21Å; V43-T46 PolarHBondContact O-N 2.8Å; C44-T46 VanDerWaalsContact C-N 3.28Å; C44-T46 PolarHBondContact O-N 2.81Å; T46-T54 HydrophobicContact CG2-CG2 4.01Å; T46-L58 HydrophobicContact CG2-CD1 3.97Å
47R95.2Very high93.7Very high36 Ų3649.4 Ų49.414%0.13625%0.247CC..EExtended strand (participates in β ladder)trans-69.5124.5175.6-178.869.4-179.991.44.4111.1P10 G12 G13 E15 I41 N49P10-R47 VanDerWaalsContact O-CD 3.28Å; P10-R47 WeakPolarHBondContact O-CD 3.39Å; P10-R47 PolarHBondContact O-NE 2.86Å; G12-R47 VanDerWaalsContact O-CZ 3.23Å; G12-R47 PolarHBondContact O-NE 3.44Å; G12-R47 PolarHBondContact O-NH2 2.97Å; G13-R47 PolarHBondContact O-NH2 3.49Å; E15-R47 VanDerWaalsContact O-CZ 3.28Å; E15-R47 PolarHBondContact O-NH1 3.21Å; E15-R47 PolarHBondContact O-NH2 2.79Å; I41-R47 WeakPolarHBondContact O-CD 3.44Å; I41-R47 PolarHBondContact O-NH1 3.07Å; R47-N49 HydrophobicContact CG-CB 4.12Å; R47-N49 PolarHBondContact O-N 2.91Å
48L95.1Very high93.9Very high3 Ų350.7 Ų50.72%0.01626%0.255CS..  trans-92.580.8177.7-60.2175.4000110.3Y17 I40 I41 V43 T54 L55Y17-L48 HydrophobicContact CD2-CB 4.14Å; Y17-L48 HydrophobicContact CD2-CD1 4.02Å; Y17-L48 HydrophobicContact CE2-CB 4.21Å; Y17-L48 HydrophobicContact CE2-CD1 4.39Å; I40-L48 HydrophobicContact CG2-CD1 3.88Å; I41-L48 PolarHBondContact O-N 2.85Å; V43-L48 HydrophobicContact CB-CD1 4.45Å; V43-L48 HydrophobicContact CG2-CD1 3.95Å; L48-T54 HydrophobicContact CD2-CG2 4.26Å; L48-L55 HydrophobicContact CD1-CB 4.08Å; L48-L55 HydrophobicContact CD1-CD1 3.85Å; L48-L55 HydrophobicContact CD1-CD2 4.38Å; L48-L55 HydrophobicContact CD1-CG 4.32Å; L48-L55 HydrophobicContact CD2-CB 4.13Å
49N92.3Very high94Very high74 Ų7451.3 Ų51.340%0.39626%0.258SS..  trans-110.618.3-177.664.62.2000113.8R47 F102R47-N49 HydrophobicContact CG-CB 4.12Å; R47-N49 PolarHBondContact O-N 2.91Å; N49-F102 VanDerWaalsContact C-CZ 3.49Å
50R90.7Very high94Very high182 Ų18258 Ų5869%0.68728%0.283SS*.SBendtrans-145.6152.3175.4-63.9-176.5-178.9-174.7-1.5109.8Y17 N52 F102Y17-R50 PolarHBondContact OH-O 2.8Å; R50-N52 PolarHBondContact O-N 2.93Å; R50-F102 WeakPolarHBondContact O-CE2 3.46Å
51D90Very high94Very high82 Ų8262.9 Ų62.944%0.43931%0.313SS..SBendtrans-81.9100.2168.1-162.614000109.7Y17 F102Y17-D51 WeakPolarHBondContact OH-CA 3.26Å; Y17-D51 PolarHBondContact OH-OD1 2.84Å; D51-F102 HydrophobicContact CB-CB 3.68Å; D51-F102 HydrophobicContact CB-CD1 3.75Å; D51-F102 HydrophobicContact CB-CD2 4.42Å; D51-F102 HydrophobicContact CB-CG 3.68Å
52N91.7Very high94Very high74 Ų7464.4 Ų64.440%0.39632%0.321SS..SBendtrans-157177.2179.273.6-9.7000112.3Y17 R50 T54Y17-N52 PolarHBondContact OH-N 3.38Å; Y17-N52 PolarHBondContact OH-O 2.87Å; R50-N52 PolarHBondContact O-N 2.93Å; N52-T54 PolarHBondContact ND2-OG1 3.27Å; N52-T54 PolarHBondContact O-N 2.97Å; N52-T54 VanDerWaalsContact O-N 3.15Å; N52-T54 VanDerWaalsContact OD1-CB 3.24Å; N52-T54 WeakPolarHBondContact OD1-CB 3.41Å; N52-T54 PolarHBondContact OD1-N 3.02Å; N52-T54 VanDerWaalsContact OD1-N 3.13Å; N52-T54 PolarHBondContact OD1-OG1 3.32Å
53D94.1Very high94Very high78 Ų7865.6 Ų65.642%0.41733%0.327SS..THydrogen-bonded Turntrans-70.3-0.7178-71.5-84.3000114.8L55 K56 E57D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 2.94Å; D53-K56 HydrophobicContact CB-CD 4.35Å; D53-K56 CarbonylContact O-C 3.57Å; D53-K56 WeakPolarHBondContact O-CA 3.31Å; D53-K56 VanDerWaalsContact O-CB 3.29Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-K56 WeakPolarHBondContact OD1-CD 3.38Å; D53-K56 WeakPolarHBondContact OD1-CE 3.27Å; D53-K56 IonicContact OD1-NZ 3.37Å; D53-K56 PolarHBondContact OD1-NZ 3.28Å; D53-E57 HydrophobicContact CB-CG 4.43Å; D53-E57 WeakPolarHBondContact O-CG 3.07Å; D53-E57 PolarHBondContact O-N 3.11Å
54T95.3Very high94.1Very high37 Ų3769.9 Ų69.923%0.22735%0.347CS..Hα-helixtrans-60-38-174-65.60000113.2T46 L48 N52 L58T46-T54 HydrophobicContact CG2-CG2 4.01Å; L48-T54 HydrophobicContact CD2-CG2 4.26Å; N52-T54 PolarHBondContact ND2-OG1 3.27Å; N52-T54 PolarHBondContact O-N 2.97Å; N52-T54 VanDerWaalsContact O-N 3.15Å; N52-T54 VanDerWaalsContact OD1-CB 3.24Å; N52-T54 WeakPolarHBondContact OD1-CB 3.41Å; N52-T54 PolarHBondContact OD1-N 3.02Å; N52-T54 VanDerWaalsContact OD1-N 3.13Å; N52-T54 PolarHBondContact OD1-OG1 3.32Å; T54-L58 HydrophobicContact CG2-CD1 3.91Å; T54-L58 HydrophobicContact CG2-CG 4.35Å; T54-L58 WeakPolarHBondContact O-CB 3.21Å; T54-L58 VanDerWaalsContact O-CG 3.25Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 3.09Å
55L95.1Very high94.4Very high8 Ų875.3 Ų75.34%0.04236%0.363CS..Hα-helixtrans-60-46.8172.2171.157.9000111.2Y17 V43 L48 D53 L58 L59 I100Y17-L55 HydrophobicContact CD1-CD2 4.22Å; Y17-L55 HydrophobicContact CD2-CB 4.42Å; Y17-L55 HydrophobicContact CD2-CD2 3.64Å; Y17-L55 HydrophobicContact CE2-CB 4.06Å; Y17-L55 HydrophobicContact CE2-CD2 4.02Å; Y17-L55 HydrophobicContact CG-CD2 3.75Å; V43-L55 HydrophobicContact CG2-CD1 3.71Å; L48-L55 HydrophobicContact CD1-CB 4.08Å; L48-L55 HydrophobicContact CD1-CD1 3.85Å; L48-L55 HydrophobicContact CD1-CD2 4.38Å; L48-L55 HydrophobicContact CD1-CG 4.32Å; L48-L55 HydrophobicContact CD2-CB 4.13Å; D53-L55 VanDerWaalsContact C-N 3.33Å; D53-L55 PolarHBondContact O-N 2.94Å; L55-L58 PolarHBondContact O-N 3.21Å; L55-L59 HydrophobicContact CD1-CD1 3.73Å; L55-L59 HydrophobicContact CD1-CG 4.06Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 2.82Å; L55-I100 HydrophobicContact CD2-CD1 3.49Å; L55-I100 VanDerWaalsContact CD2-CD1 3.49Å
56K93.1Very high94.7Very high72 Ų7272.3 Ų72.331%0.31335%0.352SS..Hα-helixtrans-65.5-40.4-178.5-171.1-166-1671780111.5D53 R60D53-K56 HydrophobicContact CB-CD 4.35Å; D53-K56 CarbonylContact O-C 3.57Å; D53-K56 WeakPolarHBondContact O-CA 3.31Å; D53-K56 VanDerWaalsContact O-CB 3.29Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 2.77Å; D53-K56 WeakPolarHBondContact OD1-CD 3.38Å; D53-K56 WeakPolarHBondContact OD1-CE 3.27Å; D53-K56 IonicContact OD1-NZ 3.37Å; D53-K56 PolarHBondContact OD1-NZ 3.28Å; K56-R60 WeakPolarHBondContact O-CB 3.27Å; K56-R60 VanDerWaalsContact O-CG 3.25Å; K56-R60 WeakPolarHBondContact O-CG 3.18Å; K56-R60 PolarHBondContact O-N 2.87Å
57E95.6Very high94.9Very high114 Ų11469.7 Ų69.753%0.53334%0.336SS..Hα-helixtrans-63.7-50.5174.7-70.6174.415700111.7D53 L59 R60 V61D53-E57 HydrophobicContact CB-CG 4.43Å; D53-E57 WeakPolarHBondContact O-CG 3.07Å; D53-E57 PolarHBondContact O-N 3.11Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 2.85Å; E57-R60 PolarHBondContact O-N 2.84Å; E57-R60 VanDerWaalsContact O-N 3.1Å; E57-V61 WeakPolarHBondContact O-CG2 3.46Å; E57-V61 PolarHBondContact O-N 2.84Å
58L95.6Very high94.9Very high35 Ų3572.9 Ų72.918%0.18335%0.351CS..Hα-helixtrans-58.7-39.2178.2-72.9169.2000112.2V43 T46 T54 L55 N62V43-L58 HydrophobicContact CB-CD1 4.2Å; V43-L58 HydrophobicContact CG1-CB 4.03Å; V43-L58 HydrophobicContact CG1-CD1 4.27Å; T46-L58 HydrophobicContact CG2-CD1 3.97Å; T54-L58 HydrophobicContact CG2-CD1 3.91Å; T54-L58 HydrophobicContact CG2-CG 4.35Å; T54-L58 WeakPolarHBondContact O-CB 3.21Å; T54-L58 VanDerWaalsContact O-CG 3.25Å; T54-L58 WeakPolarHBondContact O-CG 3.38Å; T54-L58 PolarHBondContact O-N 3.09Å; L55-L58 PolarHBondContact O-N 3.21Å; L58-N62 PolarHBondContact O-N 2.87Å; L58-N62 PolarHBondContact O-ND2 3.45Å
59L95.9Very high95Very high13 Ų1372.8 Ų72.87%0.06835%0.35CS..Hα-helixtrans-68.9-41.4174.7-65.6170.9000112L55 E57 V61 N62 V63 P86 L95 L96L55-L59 HydrophobicContact CD1-CD1 3.73Å; L55-L59 HydrophobicContact CD1-CG 4.06Å; L55-L59 HydrophobicContact CG-CD1 4.03Å; L55-L59 WeakPolarHBondContact O-CG 3.5Å; L55-L59 PolarHBondContact O-N 2.82Å; E57-L59 VanDerWaalsContact C-N 3.28Å; E57-L59 PolarHBondContact O-N 2.85Å; L59-V61 PolarHBondContact O-N 3.32Å; L59-N62 CarbonylContact O-C 3.6Å; L59-N62 PolarHBondContact O-N 2.95Å; L59-V63 WeakPolarHBondContact O-CG2 3.14Å; L59-V63 PolarHBondContact O-N 3.42Å; L59-P86 HydrophobicContact CB-CB 4.43Å; L59-P86 HydrophobicContact CB-CG 4.48Å; L59-P86 HydrophobicContact CD2-CB 4.14Å; L59-P86 HydrophobicContact CD2-CG 3.61Å; L59-L95 HydrophobicContact CB-CD1 3.81Å; L59-L96 HydrophobicContact CD1-CD1 3.64Å; L59-L96 HydrophobicContact CD1-CG 4.01Å; L59-L96 HydrophobicContact CD2-CD1 3.79Å; L59-L96 HydrophobicContact CD2-CD2 4.04Å; L59-L96 HydrophobicContact CD2-CG 4.09Å; L59-L96 HydrophobicContact CG-CD1 4.39Å
60R95.5Very high95.2Very high141 Ų14170.6 Ų70.653%0.53234%0.338SS..Hα-helixtrans-67.3-31.1178.1-75.2-177.483149.510.4113.6K56 E57 N62 V63 L95K56-R60 WeakPolarHBondContact O-CB 3.27Å; K56-R60 VanDerWaalsContact O-CG 3.25Å; K56-R60 WeakPolarHBondContact O-CG 3.18Å; K56-R60 PolarHBondContact O-N 2.87Å; E57-R60 PolarHBondContact O-N 2.84Å; E57-R60 VanDerWaalsContact O-N 3.1Å; R60-N62 VanDerWaalsContact C-N 3.3Å; R60-V63 WeakPolarHBondContact O-CG2 3.46Å; R60-L95 HydrophobicContact CG-CD1 3.84Å
61V96.7Very high95.5Very high103 Ų10362 Ų6262%0.62431%0.306SS*.Hα-helixtrans-74.1-21.8175.4171.80000112.3E57 L59E57-V61 WeakPolarHBondContact O-CG2 3.46Å; E57-V61 PolarHBondContact O-N 2.84Å; L59-V61 PolarHBondContact O-N 3.32Å
62N95.9Very high95.8Very high32 Ų3259 Ų5917%0.17129%0.288CS..THydrogen-bonded Turntrans-117.728.6-175.1-64.7-74.6000113.8L58 L59 R60 R65 V67 P86L58-N62 PolarHBondContact O-N 2.87Å; L58-N62 PolarHBondContact O-ND2 3.45Å; L59-N62 CarbonylContact O-C 3.6Å; L59-N62 PolarHBondContact O-N 2.95Å; R60-N62 VanDerWaalsContact C-N 3.3Å; N62-R65 HydrophobicContact CB-CB 4.37Å; N62-R65 WeakPolarHBondContact O-CB 3.42Å; N62-R65 PolarHBondContact O-N 3.09Å; N62-V67 HydrophobicContact CB-CG2 3.34Å; N62-P86 WeakPolarHBondContact O-CD 3.48Å
63V96.9Very high95.8Very high39 Ų3955.5 Ų55.524%0.23627%0.27CS..THydrogen-bonded Turntrans-60.3137.2173.8176.90000111L59 R60 R65 P86 N88 L95L59-V63 WeakPolarHBondContact O-CG2 3.14Å; L59-V63 PolarHBondContact O-N 3.42Å; R60-V63 WeakPolarHBondContact O-CG2 3.46Å; V63-R65 PolarHBondContact O-N 3.15Å; V63-P86 CarbonylContact C-O 3.58Å; V63-P86 WeakPolarHBondContact CA-O 3.45Å; V63-N88 WeakPolarHBondContact CG1-ND2 3.33Å; V63-L95 HydrophobicContact CG2-CD1 3.96Å; V63-L95 HydrophobicContact CG2-CD2 3.81Å
64E96.8Very high95.5Very high89 Ų8951.9 Ų51.942%0.41625%0.25SS..THydrogen-bonded Turntrans52.923.6-168.7-41.6-44.8147.600114.9P86 S87 N88E64-P86 PolarHBondContact N-O 3.32Å; E64-S87 VanDerWaalsContact OE1-CA 3.3Å; E64-S87 WeakPolarHBondContact OE1-CA 3.45Å; E64-S87 PolarHBondContact OE1-OG 3.44Å; E64-S87 VanDerWaalsContact OE1-OG 3.05Å; E64-S87 WeakPolarHBondContact OE2-CB 3.43Å; E64-S87 PolarHBondContact OE2-OG 3.2Å; E64-N88 PolarHBondContact OE1-N 3Å
65R97.1Very high95Very high152 Ų15252.6 Ų52.657%0.57425%0.249SC*.SBendtrans-122.1138.9176.3-60.7179.9-175.3172.91.6111.8N62 V63 V67 P86N62-R65 HydrophobicContact CB-CB 4.37Å; N62-R65 WeakPolarHBondContact O-CB 3.42Å; N62-R65 PolarHBondContact O-N 3.09Å; V63-R65 PolarHBondContact O-N 3.15Å; R65-V67 PolarHBondContact O-N 2.67Å; R65-P86 WeakPolarHBondContact O-CD 3.48Å
66P96.8Very high94.7Very high96 Ų9655.9 Ų55.962%0.62327%0.27SS*.  trans-65.5129.9173.7-20.532.8000112T83P66-T83 HydrophobicContact CB-CG2 3.66Å
67V96.8Very high94.4Very high4 Ų457.5 Ų57.52%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-122.8133.9-178.9178.50000110V43 N62 R65 T83 I84 P86V43-V67 HydrophobicContact CG1-CG1 3.6Å; N62-V67 HydrophobicContact CB-CG2 3.34Å; R65-V67 PolarHBondContact O-N 2.67Å; V67-T83 WeakPolarHBondContact O-CA 3.37Å; V67-I84 PolarHBondContact N-O 3.48Å; V67-I84 PolarHBondContact O-N 3.42Å; V67-P86 HydrophobicContact CG2-CG 4.21Å
68K97Very high94.2Very high103 Ų10355.4 Ų55.445%0.44827%0.273SS..EExtended strand (participates in β ladder)trans-69.5134.9168.7-78171.5167.1-78.80110.3C44 E81C44-K68 PolarHBondContact N-O 3.33Å; K68-E81 IonicContact NZ-OE1 3.51Å; K68-E81 PolarHBondContact NZ-OE1 2.86Å; K68-E81 IonicContact NZ-OE2 3.41Å; K68-E81 PolarHBondContact NZ-OE2 2.76Å
69M96.8Very high94.2Very high0 Ų055.8 Ų55.80%028%0.277CS..EExtended strand (participates in β ladder)trans-137.1130.8177.8179.2178.6-79.600109.2L33 I40 S42 V43 L71 E81 T82 I84 L96L33-M69 HydrophobicContact CD2-SD 4.36Å; I40-M69 HydrophobicContact CD1-CE 4.07Å; I40-M69 HydrophobicContact CD1-SD 4.09Å; I40-M69 HydrophobicContact CG1-SD 4.04Å; I40-M69 HydrophobicContact CG2-CE 3.87Å; I40-M69 HydrophobicContact CG2-CG 3.74Å; I40-M69 HydrophobicContact CG2-SD 3.8Å; S42-M69 WeakPolarHBondContact O-CA 3.24Å; V43-M69 HydrophobicContact CG2-CE 3.58Å; V43-M69 HydrophobicContact CG2-CG 4.12Å; M69-L71 HydrophobicContact CG-CD2 3.98Å; M69-L71 HydrophobicContact CG-CG 4.49Å; M69-L71 HydrophobicContact SD-CD2 3.85Å; M69-E81 WeakPolarHBondContact O-CA 3.39Å; M69-T82 HydrophobicContact CB-CG2 4.06Å; M69-T82 HydrophobicContact CG-CG2 4.49Å; M69-T82 PolarHBondContact N-O 2.85Å; M69-T82 PolarHBondContact O-N 3.45Å; M69-I84 HydrophobicContact CB-CG2 4.12Å; M69-I84 HydrophobicContact CE-CG2 3.89Å; M69-I84 HydrophobicContact SD-CG2 4.21Å; M69-L96 HydrophobicContact CE-CD1 3.98Å
70L96.8Very high94.2Very high29 Ų2958.4 Ų58.415%0.15229%0.286CS..EExtended strand (participates in β ladder)trans-98.2131.5172.3-81.665000109.7P10 I41 S42 V79 R80 E81P10-L70 HydrophobicContact CB-CD2 4.22Å; P10-L70 HydrophobicContact CG-CD2 3.92Å; I41-L70 HydrophobicContact CD1-CB 4.05Å; I41-L70 HydrophobicContact CG1-CB 3.8Å; I41-L70 WeakPolarHBondContact CG1-O 3.33Å; I41-L70 PolarHBondContact N-O 2.67Å; S42-L70 PolarHBondContact O-N 3.2Å; S42-L70 WeakPolarHBondContact OG-CB 3.2Å; L70-V79 HydrophobicContact CB-CG1 4.48Å; L70-V79 HydrophobicContact CD2-CG1 4.28Å; L70-R80 WeakPolarHBondContact CA-O 3.19Å; L70-E81 HydrophobicContact CD1-CB 4.36Å; L70-E81 HydrophobicContact CD1-CG 4.09Å
71L96.4Very high94.2Very high0 Ų056.7 Ų56.70%028%0.284CS..EExtended strand (participates in β ladder)trans-115.9125.3179-56.8175000108.7L33 F39 I40 M69 V79 R80 T82L33-L71 HydrophobicContact CD1-CD1 3.85Å; L33-L71 HydrophobicContact CG-CD1 3.87Å; L33-L71 HydrophobicContact CG-CD2 4.24Å; F39-L71 WeakPolarHBondContact O-CA 3.27Å; I40-L71 HydrophobicContact CB-CD2 4.37Å; I40-L71 HydrophobicContact CG1-CD2 3.87Å; M69-L71 HydrophobicContact CG-CD2 3.98Å; M69-L71 HydrophobicContact CG-CG 4.49Å; M69-L71 HydrophobicContact SD-CD2 3.85Å; L71-V79 CarbonylContact O-C 3.57Å; L71-V79 VanDerWaalsContact O-CA 3.31Å; L71-V79 WeakPolarHBondContact O-CA 3.42Å; L71-R80 HydrophobicContact CB-CG 4.25Å; L71-R80 PolarHBondContact N-O 2.76Å; L71-R80 PolarHBondContact O-N 3.46Å; L71-T82 HydrophobicContact CD1-CG2 3.76Å; L71-T82 HydrophobicContact CG-CG2 4.21Å
72Y95.1Very high94.2Very high20 Ų2053 Ų538%0.07826%0.262CS..EExtended strand (participates in β ladder)trans-89.3132159.9170-96.6000108.4I9 D38 F39 V79 F105I9-Y72 HydrophobicContact CD1-CD2 3.76Å; I9-Y72 HydrophobicContact CD1-CE2 4.41Å; I9-Y72 HydrophobicContact CD1-CG 4.19Å; D38-Y72 CarbonylContact C-O 3.55Å; D38-Y72 WeakPolarHBondContact CA-O 3.3Å; F39-Y72 HydrophobicContact CB-CD1 4.42Å; F39-Y72 HydrophobicContact CD2-CD1 4Å; F39-Y72 HydrophobicContact CG-CD1 4.39Å; F39-Y72 PolarHBondContact N-O 2.97Å; F39-Y72 PolarHBondContact O-N 3.21Å; Y72-V79 HydrophobicContact CD2-CG2 4.01Å; Y72-F105 HydrophobicContact CD1-CB 3.82Å; Y72-F105 AromaticContact CD1-CD1 3.73Å; Y72-F105 HydrophobicContact CD1-CD1 3.73Å; Y72-F105 HydrophobicContact CD1-CD2 4.03Å; Y72-F105 HydrophobicContact CD1-CE1 4.3Å; Y72-F105 AromaticContact CD1-CG 3.59Å; Y72-F105 HydrophobicContact CD1-CG 3.59Å; Y72-F105 HydrophobicContact CE1-CB 3.74Å; Y72-F105 HydrophobicContact CE1-CD1 4.13Å; Y72-F105 AromaticContact CE1-CD2 3.54Å; Y72-F105 HydrophobicContact CE1-CD2 3.54Å; Y72-F105 HydrophobicContact CE1-CE2 4.18Å; Y72-F105 AromaticContact CE1-CG 3.53Å; Y72-F105 HydrophobicContact CE1-CG 3.53Å; Y72-F105 HydrophobicContact CG-CD1 4.24Å; Y72-F105 HydrophobicContact CG-CE1 4.42Å; Y72-F105 HydrophobicContact CG-CG 4.46Å; Y72-F105 AromaticContact CZ-CD2 3.97Å
73N92.2Very high94.3Very high1 Ų155.2 Ų55.21%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-108.7124.2178.8-176.1-80.4000110.8E34 F37 D38 R75 T76 Q77 T78E34-N73 PolarHBondContact OE2-ND2 3.45Å; F37-N73 WeakPolarHBondContact CB-ND2 3.36Å; F37-N73 CarbonylContact O-C 3.57Å; F37-N73 VanDerWaalsContact O-CA 3.29Å; F37-N73 WeakPolarHBondContact O-CA 3.47Å; D38-N73 WeakPolarHBondContact OD1-CB 3.42Å; D38-N73 PolarHBondContact OD1-ND2 3.08Å; N73-R75 WeakPolarHBondContact OD1-CB 3.39Å; N73-R75 PolarHBondContact OD1-N 2.96Å; N73-R75 VanDerWaalsContact OD1-N 3.07Å; N73-T76 WeakPolarHBondContact CB-OG1 3.38Å; N73-T76 PolarHBondContact OD1-N 3.43Å; N73-T76 PolarHBondContact OD1-OG1 3.45Å; N73-Q77 WeakPolarHBondContact O-CA 3.25Å; N73-Q77 PolarHBondContact O-N 2.84Å; N73-T78 PolarHBondContact N-O 3.1Å; N73-T78 PolarHBondContact O-N 3.47Å
74S88.5Confident94.3Very high1 Ų153.4 Ų53.41%0.00727%0.266CS..THydrogen-bonded Turntrans-82.1-12.3-173.8780000114.6F37 N109F37-S74 PolarHBondContact O-N 3.08Å; S74-N109 WeakPolarHBondContact CB-OD1 3.41Å; S74-N109 PolarHBondContact O-ND2 2.88Å; S74-N109 PolarHBondContact OG-ND2 3.08Å; S74-N109 PolarHBondContact OG-OD1 3.46Å
75R85.2Confident94.3Very high53 Ų5351.9 Ų51.920%0.226%0.262CS..THydrogen-bonded Turntrans-81.1-52.9173.7174.7-172.9-72.3-157.1-10110.6F37 N73 Y166 D171F37-R75 HydrophobicContact CB-CB 4.19Å; F37-R75 HydrophobicContact CD1-CB 3.59Å; F37-R75 HydrophobicContact CE1-CB 4.22Å; F37-R75 HydrophobicContact CG-CB 3.93Å; N73-R75 WeakPolarHBondContact OD1-CB 3.39Å; N73-R75 PolarHBondContact OD1-N 2.96Å; N73-R75 VanDerWaalsContact OD1-N 3.07Å; R75-Y166 PolarHBondContact NH2-OH 3.25Å; R75-Y166 VanDerWaalsContact NH2-OH 3.11Å; R75-D171 IonicContact CZ-OD1 3.87Å; R75-D171 IonicContact CZ-OD2 3.45Å; R75-D171 IonicContact NH1-OD1 2.7Å; R75-D171 PolarHBondContact NH1-OD1 3.17Å; R75-D171 IonicContact NH1-OD2 3.57Å; R75-D171 PolarHBondContact NH1-OD2 3.23Å; R75-D171 IonicContact NH2-OD1 2.77Å; R75-D171 PolarHBondContact NH2-OD1 3.04Å; R75-D171 IonicContact NH2-OD2 2.67Å
76T87.7Confident94.3Very high77 Ų7744.7 Ų44.747%0.47224%0.235SC..THydrogen-bonded Turntrans-83.1-1817963.10000113.6N73 T78N73-T76 WeakPolarHBondContact CB-OG1 3.38Å; N73-T76 PolarHBondContact OD1-N 3.43Å; N73-T76 PolarHBondContact OD1-OG1 3.45Å; T76-T78 PolarHBondContact O-N 2.97Å; T76-T78 PolarHBondContact OG1-N 2.6Å; T76-T78 PolarHBondContact OG1-OG1 3.2Å
77Q88Confident94.3Very high105 Ų10540.6 Ų40.649%0.49121%0.209SC..  trans61.222.6-169.7-51.2-170.5-43.500113.8V7 N73V7-Q77 WeakPolarHBondContact CG2-O 3.38Å; N73-Q77 WeakPolarHBondContact O-CA 3.25Å; N73-Q77 PolarHBondContact O-N 2.84Å
78T91.3Very high94.3Very high70 Ų7046 Ų4643%0.42924%0.238SC..  trans-105.5154.2-178.860.20000113.2N73 T76N73-T78 PolarHBondContact N-O 3.1Å; N73-T78 PolarHBondContact O-N 3.47Å; T76-T78 PolarHBondContact O-N 2.97Å; T76-T78 PolarHBondContact OG1-N 2.6Å; T76-T78 PolarHBondContact OG1-OG1 3.2Å
79V94.4Very high94.2Very high44 Ų4446.7 Ų46.727%0.26725%0.251SS..EExtended strand (participates in β ladder)trans-97.6134.61661760000109V7 I9 I41 L70 L71 Y72V7-V79 HydrophobicContact CG1-CG2 3.99Å; I9-V79 HydrophobicContact CD1-CG2 3.83Å; I41-V79 HydrophobicContact CD1-CG1 3.91Å; I41-V79 HydrophobicContact CD1-CG2 4.1Å; L70-V79 HydrophobicContact CB-CG1 4.48Å; L70-V79 HydrophobicContact CD2-CG1 4.28Å; L71-V79 CarbonylContact O-C 3.57Å; L71-V79 VanDerWaalsContact O-CA 3.31Å; L71-V79 WeakPolarHBondContact O-CA 3.42Å; Y72-V79 HydrophobicContact CD2-CG2 4.01Å
80R95.6Very high94.1Very high68 Ų6849.4 Ų49.426%0.25726%0.261SS..EExtended strand (participates in β ladder)trans-130.4147.6171.671-174.9-169.7-72.44.6111.5R32 D38 L70 L71R32-R80 PolarHBondContact O-NH2 3.29Å; D38-R80 IonicContact OD1-CZ 2.72Å; D38-R80 IonicContact OD1-NH1 2.64Å; D38-R80 PolarHBondContact OD1-NH1 3.05Å; D38-R80 IonicContact OD1-NH2 3.45Å; D38-R80 PolarHBondContact OD1-NH2 3.48Å; D38-R80 IonicContact OD2-CZ 3.37Å; D38-R80 IonicContact OD2-NH1 2.69Å; D38-R80 PolarHBondContact OD2-NH1 3.25Å; D38-R80 IonicContact OD2-NH2 3.42Å; D38-R80 PolarHBondContact OD2-NH2 3.41Å; L70-R80 WeakPolarHBondContact CA-O 3.19Å; L71-R80 HydrophobicContact CB-CG 4.25Å; L71-R80 PolarHBondContact N-O 2.76Å; L71-R80 PolarHBondContact O-N 3.46Å
81E96.3Very high93.9Very high105 Ų10551.8 Ų51.849%0.49129%0.292SS..EExtended strand (participates in β ladder)trans-87.5138.2165.6-172.3-175.89500109K68 M69 L70K68-E81 IonicContact NZ-OE1 3.51Å; K68-E81 PolarHBondContact NZ-OE1 2.86Å; K68-E81 IonicContact NZ-OE2 3.41Å; K68-E81 PolarHBondContact NZ-OE2 2.76Å; M69-E81 WeakPolarHBondContact O-CA 3.39Å; L70-E81 HydrophobicContact CD1-CB 4.36Å; L70-E81 HydrophobicContact CD1-CG 4.09Å
82T96.6Very high93.7Very high25 Ų2553.4 Ų53.415%0.15331%0.31CS..EExtended strand (participates in β ladder)trans-126.8163.2165-166.20000109.8A31 L33 M69 L71A31-T82 PolarHBondContact O-OG1 3.23Å; L33-T82 HydrophobicContact CD1-CG2 4.2Å; M69-T82 HydrophobicContact CB-CG2 4.06Å; M69-T82 HydrophobicContact CG-CG2 4.49Å; M69-T82 PolarHBondContact N-O 2.85Å; M69-T82 PolarHBondContact O-N 3.45Å; L71-T82 HydrophobicContact CD1-CG2 3.76Å; L71-T82 HydrophobicContact CG-CG2 4.21Å
83T97.3Very high93.5Very high78 Ų7858 Ų5848%0.47933%0.331SS..EExtended strand (participates in β ladder)trans-115.8125.2172.2-62.70000108.5P66 V67P66-T83 HydrophobicContact CB-CG2 3.66Å; V67-T83 WeakPolarHBondContact O-CA 3.37Å
84I97.3Very high93.6Very high2 Ų260 Ų601%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-130.1137.6-174.8-169165.7000109.9P27 A31 L33 V67 M69 L96P27-I84 HydrophobicContact CB-CG1 4.13Å; A31-I84 HydrophobicContact CB-CB 3.74Å; A31-I84 HydrophobicContact CB-CD1 3.75Å; A31-I84 HydrophobicContact CB-CG1 3.66Å; L33-I84 HydrophobicContact CD1-CD1 4.23Å; V67-I84 PolarHBondContact N-O 3.48Å; V67-I84 PolarHBondContact O-N 3.42Å; M69-I84 HydrophobicContact CB-CG2 4.12Å; M69-I84 HydrophobicContact CE-CG2 3.89Å; M69-I84 HydrophobicContact SD-CG2 4.21Å; I84-L96 HydrophobicContact CD1-CD1 4.15Å; I84-L96 HydrophobicContact CD1-CD2 3.6Å; I84-L96 HydrophobicContact CD1-CG 4.33Å; I84-L96 HydrophobicContact CG1-CD2 3.81Å
85T97.7Very high93.9Very high57 Ų5761.3 Ų61.335%0.3536%0.36SS..  trans-106.2105179.2-59.20000108.9P27 S87P27-T85 VanDerWaalsContact CB-O 3.27Å; P27-T85 WeakPolarHBondContact CB-O 3.46Å; P27-T85 WeakPolarHBondContact CG-O 3.48Å; T85-S87 PolarHBondContact O-N 2.92Å
86P97Very high94.5Very high0 Ų059.3 Ų59.30%035%0.353CS..  trans-64.7132.2177-12.527.5000109.8L59 N62 V63 E64 R65 V67 L95 L96L59-P86 HydrophobicContact CB-CB 4.43Å; L59-P86 HydrophobicContact CB-CG 4.48Å; L59-P86 HydrophobicContact CD2-CB 4.14Å; L59-P86 HydrophobicContact CD2-CG 3.61Å; N62-P86 WeakPolarHBondContact O-CD 3.48Å; V63-P86 CarbonylContact C-O 3.58Å; V63-P86 WeakPolarHBondContact CA-O 3.45Å; E64-P86 PolarHBondContact N-O 3.32Å; R65-P86 WeakPolarHBondContact O-CD 3.48Å; V67-P86 HydrophobicContact CG2-CG 4.21Å; P86-L95 WeakPolarHBondContact CA-O 3.24Å; P86-L95 HydrophobicContact CB-CB 4.08Å; P86-L96 HydrophobicContact CB-CD2 4Å; P86-L96 HydrophobicContact CG-CD2 4.23Å
87S96.6Very high94.8Very high10 Ų1055.7 Ų55.77%0.0733%0.331CS..  trans-139147.6-173.7-170.50000113E64 T85 T89 W90 L95E64-S87 VanDerWaalsContact OE1-CA 3.3Å; E64-S87 WeakPolarHBondContact OE1-CA 3.45Å; E64-S87 PolarHBondContact OE1-OG 3.44Å; E64-S87 VanDerWaalsContact OE1-OG 3.05Å; E64-S87 WeakPolarHBondContact OE2-CB 3.43Å; E64-S87 PolarHBondContact OE2-OG 3.2Å; T85-S87 PolarHBondContact O-N 2.92Å; S87-T89 PolarHBondContact OG-N 3.23Å; S87-T89 VanDerWaalsContact OG-N 3.14Å; S87-T89 PolarHBondContact OG-OG1 3.47Å; S87-T89 VanDerWaalsContact OG-OG1 3.1Å; S87-W90 PolarHBondContact O-NE1 3.29Å; S87-L95 PolarHBondContact N-O 3.05Å; S87-L95 WeakPolarHBondContact O-CA 3.45Å
88N95.7Very high95.1Very high118 Ų11852.2 Ų52.263%0.63132%0.316SS*.SBendtrans-97.2-8.5167.6-72.2-58.1000113.1V63 E64 L95V63-N88 WeakPolarHBondContact CG1-ND2 3.33Å; E64-N88 PolarHBondContact OE1-N 3Å; N88-L95 VanDerWaalsContact OD1-CD2 3.22Å; N88-L95 WeakPolarHBondContact OD1-CD2 3.19Å
89T95.4Very high94.9Very high118 Ų11849.9 Ų49.972%0.72430%0.302SS*.SBendtrans-101.2-3.4-166.261.80000115S87 G91S87-T89 PolarHBondContact OG-N 3.23Å; S87-T89 VanDerWaalsContact OG-N 3.14Å; S87-T89 PolarHBondContact OG-OG1 3.47Å; S87-T89 VanDerWaalsContact OG-OG1 3.1Å; T89-G91 VanDerWaalsContact C-N 3.3Å; T89-G91 PolarHBondContact O-N 3.47Å
90W94.6Very high94.7Very high56 Ų5650.8 Ų50.821%0.21231%0.305CS..SBendtrans-78.7-5.6-176.971.3-82.7000114.8Q23 S26 P27 S87 G92 G94 G97Q23-W90 HydrophobicContact CB-CH2 3.85Å; Q23-W90 HydrophobicContact CB-CZ3 4.16Å; Q23-W90 HydrophobicContact CG-CH2 4.45Å; S26-W90 VanDerWaalsContact CB-CZ3 3.45Å; P27-W90 HydrophobicContact CG-CG 4.36Å; S87-W90 PolarHBondContact O-NE1 3.29Å; W90-G92 VanDerWaalsContact CH2-CA 3.43Å; W90-G92 VanDerWaalsContact CZ2-C 3.46Å; W90-G94 WeakPolarHBondContact CZ2-O 3.38Å; W90-G94 PolarHBondContact NE1-O 3.39Å; W90-G97 VanDerWaalsContact CH2-CA 3.45Å
91G93.1Very high94.4Very high79 Ų7949.3 Ų49.381%0.81430%0.299SS*.SBendtrans89.5-8.316800000117.4T89T89-G91 VanDerWaalsContact C-N 3.3Å; T89-G91 PolarHBondContact O-N 3.47Å
92G92.3Very high94Very high35 Ų3546.2 Ų46.236%0.36128%0.284SS..SBendtrans-102.9-167.8175.200000114.5W90W90-G92 VanDerWaalsContact CH2-CA 3.43Å; W90-G92 VanDerWaalsContact CZ2-C 3.46Å
93Q91.1Very high93.6Very high115 Ų11546.2 Ų46.254%0.53729%0.285SS..SBendtrans-90126.5-174.9-84.2-65.3-20.500113.6Q23 G97Q23-Q93 PolarHBondContact NE2-O 3.03Å; Q23-Q93 VanDerWaalsContact NE2-O 3.1Å; Q93-G97 WeakPolarHBondContact O-CA 3.42Å
94G93.3Very high93.1Very high45 Ų4543.9 Ų43.946%0.46427%0.272SS..SBendtrans80163.5176.500000114.6W90 L96W90-G94 WeakPolarHBondContact CZ2-O 3.38Å; W90-G94 PolarHBondContact NE1-O 3.39Å; G94-L96 PolarHBondContact O-N 2.99Å; G94-L96 VanDerWaalsContact O-N 3.14Å
95L96.1Very high92.4Very high28 Ų2844.7 Ų44.715%0.14728%0.275CS..SBendtrans-64.5-21.2-172.3-68.9178.3000115.2L59 R60 V63 P86 S87 N88L59-L95 HydrophobicContact CB-CD1 3.81Å; R60-L95 HydrophobicContact CG-CD1 3.84Å; V63-L95 HydrophobicContact CG2-CD1 3.96Å; V63-L95 HydrophobicContact CG2-CD2 3.81Å; P86-L95 WeakPolarHBondContact CA-O 3.24Å; P86-L95 HydrophobicContact CB-CB 4.08Å; S87-L95 PolarHBondContact N-O 3.05Å; S87-L95 WeakPolarHBondContact O-CA 3.45Å; N88-L95 VanDerWaalsContact OD1-CD2 3.22Å; N88-L95 WeakPolarHBondContact OD1-CD2 3.19Å
96L96.8Very high91.6Very high10 Ų1047.4 Ų47.45%0.05228%0.284CS..SBendtrans-124.4-8.6-176.6-60-174.8000114S26 P27 G28 L59 M69 I84 P86 G94 L98S26-L96 WeakPolarHBondContact CB-O 3.47Å; S26-L96 PolarHBondContact OG-O 2.84Å; P27-L96 HydrophobicContact CB-CD2 4.24Å; G28-L96 PolarHBondContact N-O 2.89Å; L59-L96 HydrophobicContact CD1-CD1 3.64Å; L59-L96 HydrophobicContact CD1-CG 4.01Å; L59-L96 HydrophobicContact CD2-CD1 3.79Å; L59-L96 HydrophobicContact CD2-CD2 4.04Å; L59-L96 HydrophobicContact CD2-CG 4.09Å; L59-L96 HydrophobicContact CG-CD1 4.39Å; M69-L96 HydrophobicContact CE-CD1 3.98Å; I84-L96 HydrophobicContact CD1-CD1 4.15Å; I84-L96 HydrophobicContact CD1-CD2 3.6Å; I84-L96 HydrophobicContact CD1-CG 4.33Å; I84-L96 HydrophobicContact CG1-CD2 3.81Å; P86-L96 HydrophobicContact CB-CD2 4Å; P86-L96 HydrophobicContact CG-CD2 4.23Å; G94-L96 PolarHBondContact O-N 2.99Å; G94-L96 VanDerWaalsContact O-N 3.14Å; L96-L98 HydrophobicContact CB-CD1 3.81Å; L96-L98 HydrophobicContact CB-CG 3.72Å; L96-L98 HydrophobicContact CD1-CD1 3.72Å; L96-L98 HydrophobicContact CG-CD1 4.45Å
97G94.6Very high90.4Very high1 Ų152.9 Ų52.91%0.0131%0.305CS..  trans66.630.3-172.100000115.4Q23 W90 Q93Q23-G97 WeakPolarHBondContact CB-O 3.48Å; Q23-G97 WeakPolarHBondContact CG-O 3.48Å; Q23-G97 PolarHBondContact N-O 3.37Å; Q23-G97 PolarHBondContact NE2-O 2.84Å; W90-G97 VanDerWaalsContact CH2-CA 3.45Å; Q93-G97 WeakPolarHBondContact O-CA 3.42Å
98L93.3Very high89.3Confident32 Ų3252.5 Ų52.517%0.16830%0.302CS..EExtended strand (participates in β ladder)trans-109.6140-175.6-55.1177000112.5V19 R21 V22 L33 I40 L96 I100V19-L98 HydrophobicContact CG1-CD2 4.22Å; R21-L98 WeakPolarHBondContact O-CA 3.35Å; V22-L98 HydrophobicContact CB-CD2 4.24Å; V22-L98 HydrophobicContact CG1-CD2 4.22Å; V22-L98 HydrophobicContact CG2-CD2 3.67Å; L33-L98 HydrophobicContact CD2-CD1 3.52Å; L33-L98 HydrophobicContact CD2-CD2 3.89Å; L33-L98 HydrophobicContact CD2-CG 4.35Å; I40-L98 HydrophobicContact CD1-CD1 3.99Å; L96-L98 HydrophobicContact CB-CD1 3.81Å; L96-L98 HydrophobicContact CB-CG 3.72Å; L96-L98 HydrophobicContact CD1-CD1 3.72Å; L96-L98 HydrophobicContact CG-CD1 4.45Å; L98-I100 HydrophobicContact CB-CG2 3.86Å; L98-I100 HydrophobicContact CD1-CG2 4.38Å
99S88.4Confident88.3Confident21 Ų2148.7 Ų48.715%0.14728%0.282CS..EExtended strand (participates in β ladder)trans-95.5129.8155.5-55.90000108.4L20 R21L20-S99 PolarHBondContact N-O 3.14Å; R21-S99 PolarHBondContact N-O 2.88Å; R21-S99 PolarHBondContact O-N 2.8Å
100I90Very high87.5Confident63 Ų6346.9 Ų46.932%0.32327%0.265SS..EExtended strand (participates in β ladder)trans-137.5154.6-173.561.2178.4000112.8Y17 H18 L55 L98Y17-I100 HydrophobicContact CD1-CB 4.49Å; Y17-I100 HydrophobicContact CD1-CD1 3.76Å; Y17-I100 HydrophobicContact CD1-CG1 4.18Å; Y17-I100 HydrophobicContact CE1-CD1 4.44Å; Y17-I100 HydrophobicContact CG-CD1 4.15Å; H18-I100 CarbonylContact O-C 3.58Å; H18-I100 VanDerWaalsContact O-CA 3.23Å; H18-I100 WeakPolarHBondContact O-CA 3.37Å; L55-I100 HydrophobicContact CD2-CD1 3.49Å; L55-I100 VanDerWaalsContact CD2-CD1 3.49Å; L98-I100 HydrophobicContact CB-CG2 3.86Å; L98-I100 HydrophobicContact CD1-CG2 4.38Å
101R87.9Confident87Confident37 Ų3744.9 Ų44.914%0.1426%0.258CS..EExtended strand (participates in β ladder)trans-135.5134.2172.2169.4178.656.3-179.9-14.3110Y17 H18 L20 C103 I137 M143Y17-R101 CarbonylContact C-O 3.57Å; H18-R101 VanDerWaalsContact CB-O 3.3Å; H18-R101 WeakPolarHBondContact CB-O 3.38Å; H18-R101 PolarHBondContact CE1-NE 3.45Å; H18-R101 PolarHBondContact CE1-NH2 2.8Å; H18-R101 PolarHBondContact N-O 2.84Å; H18-R101 PolarHBondContact NE2-NH2 2.86Å; H18-R101 PolarHBondContact O-N 3.04Å; L20-R101 HydrophobicContact CD1-CB 4.05Å; L20-R101 HydrophobicContact CG-CB 4.47Å; R101-C103 PolarHBondContact O-N 3.37Å; R101-I137 PolarHBondContact NH2-O 2.98Å; R101-M143 PolarHBondContact NH1-O 3Å
102F89Confident86.8Confident40 Ų4041.2 Ų41.218%0.17522%0.22CC..EExtended strand (participates in β ladder)trans-73.3122.8169.1-174.1-94000110.5E15 G16 Y17 N49 R50 D51E15-F102 HydrophobicContact CB-CE1 4.02Å; E15-F102 HydrophobicContact CB-CE2 4.06Å; E15-F102 HydrophobicContact CB-CZ 3.45Å; E15-F102 VanDerWaalsContact CB-CZ 3.45Å; E15-F102 HydrophobicContact CG-CE1 4.31Å; E15-F102 HydrophobicContact CG-CZ 4.14Å; G16-F102 WeakPolarHBondContact O-CA 3.43Å; Y17-F102 HydrophobicContact CD1-CB 4.06Å; Y17-F102 HydrophobicContact CD2-CD2 4.24Å; Y17-F102 HydrophobicContact CE1-CB 3.78Å; Y17-F102 HydrophobicContact CE1-CD2 4.3Å; Y17-F102 AromaticContact CE2-CD2 4Å; Y17-F102 HydrophobicContact CE2-CD2 4Å; N49-F102 VanDerWaalsContact C-CZ 3.49Å; R50-F102 WeakPolarHBondContact O-CE2 3.46Å; D51-F102 HydrophobicContact CB-CB 3.68Å; D51-F102 HydrophobicContact CB-CD1 3.75Å; D51-F102 HydrophobicContact CB-CD2 4.42Å; D51-F102 HydrophobicContact CB-CG 3.68Å
103C87.3Confident86.8Confident26 Ų2639.5 Ų39.518%0.17620%0.203CC..EExtended strand (participates in β ladder)trans-159.9173.6171.265.80000112.9E15 G16 H18 R101E15-C103 WeakPolarHBondContact CA-O 3.3Å; G16-C103 PolarHBondContact N-O 2.95Å; G16-C103 PolarHBondContact O-N 2.85Å; G16-C103 VanDerWaalsContact O-O 3.12Å; H18-C103 PolarHBondContact CE1-SG 3.2Å; R101-C103 PolarHBondContact O-N 3.37Å
104S87.4Confident87.1Confident28 Ų2835.5 Ų35.520%0.19618%0.184CC..EExtended strand (participates in β ladder)trans-77.8128.9168.8173.10000111.1S14 E106 R107 A108S14-S104 CarbonylContact O-C 3.49Å; S14-S104 WeakPolarHBondContact O-CA 3.12Å; S14-S104 PolarHBondContact O-OG 3.1Å; S14-S104 PolarHBondContact OG-OG 3.16Å; S104-E106 PolarHBondContact O-N 3.28Å; S104-E106 PolarHBondContact OG-N 3.09Å; S104-R107 PolarHBondContact O-N 3.03Å; S104-R107 VanDerWaalsContact O-N 3.09Å; S104-A108 PolarHBondContact O-N 2.93Å
105F83.7Confident87.3Confident19 Ų1933.3 Ų33.38%0.08316%0.162CC..Hα-helixtrans-67.8-18.5177.555.9-113.7000112.8I9 S14 F39 Y72I9-F105 HydrophobicContact CD1-CE1 3.9Å; I9-F105 HydrophobicContact CD1-CZ 3.77Å; I9-F105 HydrophobicContact CG1-CE1 3.83Å; I9-F105 HydrophobicContact CG1-CZ 3.57Å; S14-F105 WeakPolarHBondContact O-CD1 3.27Å; S14-F105 VanDerWaalsContact O-CE1 3.26Å; S14-F105 WeakPolarHBondContact O-CE1 3.47Å; S14-F105 WeakPolarHBondContact O-CG 2.9Å; S14-F105 PolarHBondContact O-N 2.73Å; F39-F105 HydrophobicContact CD1-CB 3.67Å; F39-F105 HydrophobicContact CD2-CB 3.96Å; F39-F105 HydrophobicContact CE1-CB 3.73Å; F39-F105 HydrophobicContact CE2-CB 4.09Å; F39-F105 HydrophobicContact CG-CB 3.81Å; F39-F105 HydrophobicContact CZ-CB 3.99Å; Y72-F105 HydrophobicContact CD1-CB 3.82Å; Y72-F105 AromaticContact CD1-CD1 3.73Å; Y72-F105 HydrophobicContact CD1-CD1 3.73Å; Y72-F105 HydrophobicContact CD1-CD2 4.03Å; Y72-F105 HydrophobicContact CD1-CE1 4.3Å; Y72-F105 AromaticContact CD1-CG 3.59Å; Y72-F105 HydrophobicContact CD1-CG 3.59Å; Y72-F105 HydrophobicContact CE1-CB 3.74Å; Y72-F105 HydrophobicContact CE1-CD1 4.13Å; Y72-F105 AromaticContact CE1-CD2 3.54Å; Y72-F105 HydrophobicContact CE1-CD2 3.54Å; Y72-F105 HydrophobicContact CE1-CE2 4.18Å; Y72-F105 AromaticContact CE1-CG 3.53Å; Y72-F105 HydrophobicContact CE1-CG 3.53Å; Y72-F105 HydrophobicContact CG-CD1 4.24Å; Y72-F105 HydrophobicContact CG-CE1 4.42Å; Y72-F105 HydrophobicContact CG-CG 4.46Å; Y72-F105 AromaticContact CZ-CD2 3.97Å
106E79.6Confident87.3Confident114 Ų11433.7 Ų33.753%0.53316%0.164SC..Hα-helixtrans-71.6-32.5172.4-62.7175.2139.900111.6S14 S104 Q110S14-E106 VanDerWaalsContact CB-OE2 3.31Å; S14-E106 WeakPolarHBondContact CB-OE2 3.33Å; S14-E106 PolarHBondContact OG-OE2 3.05Å; S104-E106 PolarHBondContact O-N 3.28Å; S104-E106 PolarHBondContact OG-N 3.09Å; E106-Q110 PolarHBondContact O-NE2 3.34Å
107R72.3Confident87.3Confident116 Ų11638.1 Ų38.144%0.43818%0.184SC..Hα-helixtrans-89-29.7177-169.1-173.2-79-146.5-4.9112.5S104 N109 Q110 N111 R144 E145S104-R107 PolarHBondContact O-N 3.03Å; S104-R107 VanDerWaalsContact O-N 3.09Å; R107-N109 PolarHBondContact O-N 2.81Å; R107-Q110 WeakPolarHBondContact O-CA 3.37Å; R107-Q110 WeakPolarHBondContact O-CB 3.49Å; R107-Q110 WeakPolarHBondContact O-CG 3.22Å; R107-Q110 PolarHBondContact O-N 2.62Å; R107-N111 WeakPolarHBondContact CG-OD1 3.43Å; R107-N111 PolarHBondContact O-N 3.29Å; R107-R144 PolarHBondContact NH1-O 2.87Å; R107-E145 IonicContact CZ-OE1 3.56Å; R107-E145 IonicContact NH1-OE1 3.65Å; R107-E145 PolarHBondContact NH1-OE1 2.88Å; R107-E145 IonicContact NH2-OE1 3.58Å
108A73.8Confident87.5Confident2 Ų239.5 Ų39.52%0.01719%0.192CC..Hα-helixtrans-57.4-42-174.800000114.1F39 S104 Q110 N111F39-A108 HydrophobicContact CE1-CB 3.54Å; F39-A108 HydrophobicContact CZ-CB 3.33Å; S104-A108 PolarHBondContact O-N 2.93Å; A108-Q110 PolarHBondContact O-N 3.38Å; A108-N111 PolarHBondContact O-N 3.1Å
109N74.7Confident87.7Confident38 Ų3842.9 Ų42.920%0.20321%0.207CC..THydrogen-bonded Turntrans-71.87.8174.7-68.614.8000113.7S74 R107 R201S74-N109 WeakPolarHBondContact CB-OD1 3.41Å; S74-N109 PolarHBondContact O-ND2 2.88Å; S74-N109 PolarHBondContact OG-ND2 3.08Å; S74-N109 PolarHBondContact OG-OD1 3.46Å; R107-N109 PolarHBondContact O-N 2.81Å; N109-R201 VanDerWaalsContact O-CD 3.27Å; N109-R201 WeakPolarHBondContact O-CD 3.49Å; N109-R201 PolarHBondContact O-NE 2.95Å
110Q79.1Confident88Confident80 Ų8046.5 Ų46.537%0.37423%0.23SC..THydrogen-bonded Turntrans-113.1-33.6178.3-40.3-164.644.300111.7E106 R107 A108 V112 F196E106-Q110 PolarHBondContact O-NE2 3.34Å; R107-Q110 WeakPolarHBondContact O-CA 3.37Å; R107-Q110 WeakPolarHBondContact O-CB 3.49Å; R107-Q110 WeakPolarHBondContact O-CG 3.22Å; R107-Q110 PolarHBondContact O-N 2.62Å; A108-Q110 PolarHBondContact O-N 3.38Å; Q110-V112 PolarHBondContact O-N 3.32Å; Q110-F196 WeakPolarHBondContact O-CE2 3.43Å; Q110-F196 WeakPolarHBondContact O-CZ 3.25Å
111N82.2Confident88.3Confident13 Ų1349.8 Ų49.87%0.0725%0.249CC..SBendtrans-82.565.2177.6-66.727.3000110.7R107 A108 W113 R144R107-N111 WeakPolarHBondContact CG-OD1 3.43Å; R107-N111 PolarHBondContact O-N 3.29Å; A108-N111 PolarHBondContact O-N 3.1Å; N111-W113 HydrophobicContact CB-CH2 4.35Å; N111-W113 HydrophobicContact CB-CZ3 4.46Å; N111-W113 WeakPolarHBondContact O-CZ3 3.41Å; N111-R144 VanDerWaalsContact ND2-C 3.28Å; N111-R144 PolarHBondContact ND2-O 2.81Å
112V89Confident88.7Confident2 Ų248 Ų481%0.01224%0.242CC..  trans-136.2134.1-178.7-1750000108.8F36 Q110 Y135 I136 I137 F196 I202F36-V112 HydrophobicContact CE2-CG2 4.01Å; F36-V112 HydrophobicContact CZ-CG2 3.57Å; Q110-V112 PolarHBondContact O-N 3.32Å; V112-Y135 HydrophobicContact CG1-CD1 3.83Å; V112-Y135 HydrophobicContact CG1-CG 4.28Å; V112-I136 WeakPolarHBondContact CA-O 3.48Å; V112-I137 HydrophobicContact CG1-CG2 4.28Å; V112-F196 VanDerWaalsContact O-CD2 3.25Å; V112-F196 WeakPolarHBondContact O-CD2 3.48Å; V112-I202 HydrophobicContact CG1-CD1 3.98Å; V112-I202 HydrophobicContact CG1-CG1 4.08Å
113W93.6Very high89.1Confident0 Ų046.7 Ų46.70%024%0.237CC..EExtended strand (participates in β ladder)trans-119.3114-178.5-59.6-101.7000109.3N111 Y135 I136 M143 E145 S146 L149 I194 F196N111-W113 HydrophobicContact CB-CH2 4.35Å; N111-W113 HydrophobicContact CB-CZ3 4.46Å; N111-W113 WeakPolarHBondContact O-CZ3 3.41Å; W113-Y135 CarbonylContact O-C 3.5Å; W113-Y135 WeakPolarHBondContact O-CA 3.41Å; W113-I136 HydrophobicContact CB-CB 4.29Å; W113-I136 HydrophobicContact CE3-CG2 4.43Å; W113-I136 PolarHBondContact N-O 3.27Å; W113-I136 PolarHBondContact O-N 3.37Å; W113-M143 HydrophobicContact CH2-CB 4.27Å; W113-M143 HydrophobicContact CH2-CG 4.49Å; W113-M143 HydrophobicContact CH2-SD 3.67Å; W113-M143 HydrophobicContact CZ2-SD 4.47Å; W113-M143 HydrophobicContact CZ3-SD 3.86Å; W113-E145 WeakPolarHBondContact CZ2-O 3.47Å; W113-S146 WeakPolarHBondContact CZ2-O 3.47Å; W113-S146 PolarHBondContact NE1-O 2.96Å; W113-L149 HydrophobicContact CB-CD2 3.73Å; W113-L149 HydrophobicContact CD2-CB 4.12Å; W113-L149 HydrophobicContact CD2-CD2 3.72Å; W113-L149 HydrophobicContact CE3-CD2 4.42Å; W113-L149 HydrophobicContact CG-CB 4.48Å; W113-L149 HydrophobicContact CG-CD2 3.39Å; W113-L149 HydrophobicContact CH2-CB 4.46Å; W113-L149 HydrophobicContact CZ2-CB 3.76Å; W113-I194 HydrophobicContact CB-CG2 3.73Å; W113-I194 HydrophobicContact CG-CG2 4.28Å; W113-F196 AromaticContact CD1-CD2 3.72Å; W113-F196 HydrophobicContact CD2-CD2 4.48Å; W113-F196 HydrophobicContact CG-CD2 4.16Å; W113-F196 AromaticContact NE1-CD2 3.82Å
114H95.9Very high89.6Confident30 Ų3045.4 Ų45.414%0.13923%0.229CC..EExtended strand (participates in β ladder)trans-80.4123.9-177.2-175.2-173.8000109.8L116 Y132 V133 Y135 I194 G195 H200H114-L116 PolarHBondContact O-N 3.4Å; H114-Y132 WeakPolarHBondContact NE2-CA 3.49Å; H114-Y132 PolarHBondContact NE2-O 2.94Å; H114-V133 PolarHBondContact NE2-N 3.05Å; H114-Y135 HydrophobicContact CB-CD1 3.88Å; H114-Y135 HydrophobicContact CB-CE1 3.76Å; H114-Y135 AromaticContact CD2-CE1 3.6Å; H114-Y135 AromaticContact CD2-CE2 3.94Å; H114-Y135 AromaticContact CD2-CZ 3.52Å; H114-Y135 AromaticContact CG-CE1 3.51Å; H114-Y135 AromaticContact CG-CZ 3.86Å; H114-Y135 AromaticContact ND1-CE1 3.91Å; H114-Y135 AromaticContact NE2-CE2 3.86Å; H114-Y135 AromaticContact NE2-CZ 3.66Å; H114-Y135 PolarHBondContact NE2-OH 1.86Å; H114-I194 WeakPolarHBondContact O-CA 3.14Å; H114-G195 PolarHBondContact N-O 2.94Å; H114-G195 PolarHBondContact O-N 3.14Å; H114-H200 HydrophobicContact CB-CB 3.69Å; H114-H200 AromaticContact CG-ND1 3.8Å; H114-H200 AromaticContact ND1-ND1 3.09Å; H114-H200 PolarHBondContact ND1-ND1 2.92Å
115V97.6Very high90Very high0 Ų045.7 Ų45.70%024%0.236CC..EExtended strand (participates in β ladder)trans-72.7119.9171.7-177.20000108.2V118 L129 Y132 D134 I136 I194V115-V118 HydrophobicContact CG1-CG2 3.44Å; V115-V118 VanDerWaalsContact CG1-CG2 3.44Å; V115-L129 HydrophobicContact CG1-CB 4.4Å; V115-Y132 VanDerWaalsContact O-CA 3.27Å; V115-Y132 WeakPolarHBondContact O-CA 3.24Å; V115-Y132 PolarHBondContact O-N 2.95Å; V115-D134 HydrophobicContact CB-CB 4.06Å; V115-D134 WeakPolarHBondContact CB-O 3.43Å; V115-D134 HydrophobicContact CG2-CB 3.84Å; V115-D134 PolarHBondContact N-O 2.82Å; V115-I136 HydrophobicContact CG2-CD1 4.31Å; V115-I136 HydrophobicContact CG2-CG1 4.27Å; V115-I194 HydrophobicContact CG2-CD1 4.43Å
116L97Very high90.7Very high35 Ų3551.2 Ų51.218%0.18327%0.266CS..EExtended strand (participates in β ladder)trans-98.9-118.6178.4-56.9178.3000109.1H114 P131 Y132 K193H114-L116 PolarHBondContact O-N 3.4Å; L116-P131 WeakPolarHBondContact O-CA 3.45Å; L116-P131 WeakPolarHBondContact O-CB 3.45Å; L116-Y132 HydrophobicContact CB-CE1 4.26Å; L116-Y132 HydrophobicContact CD2-CD1 4.15Å; L116-Y132 HydrophobicContact CD2-CE1 4.36Å; L116-Y132 PolarHBondContact O-N 3.44Å; L116-K193 HydrophobicContact CB-CB 4.11Å; L116-K193 WeakPolarHBondContact CB-O 2.88Å; L116-K193 PolarHBondContact N-O 3.48Å
117E97.2Very high91.5Very high104 Ų10446.7 Ų46.749%0.48625%0.247SC..EExtended strand (participates in β ladder)trans-68.3141.1175.7-63.8166.9160.600110.9Y132 C192 K193E117-Y132 VanDerWaalsContact CG-OH 3.24Å; E117-Y132 WeakPolarHBondContact CG-OH 2.98Å; E117-C192 CarbonylContact O-C 3.6Å; E117-C192 WeakPolarHBondContact O-CA 3.18Å; E117-C192 WeakPolarHBondContact O-CB 3.23Å; E117-K193 HydrophobicContact CB-CB 4.4Å; E117-K193 HydrophobicContact CB-CG 4.14Å; E117-K193 PolarHBondContact O-N 3.34Å
118V98Very high92.6Very high29 Ų2944.7 Ų44.718%0.17625%0.246CC..EExtended strand (participates in β ladder)trans-129.9121.8178.5179.40000108.2V115 A124 P131 C192V115-V118 HydrophobicContact CG1-CG2 3.44Å; V115-V118 VanDerWaalsContact CG1-CG2 3.44Å; V118-A124 HydrophobicContact CG1-CB 3.88Å; V118-P131 HydrophobicContact CG2-CB 4.19Å; V118-C192 HydrophobicContact CB-CB 4.4Å; V118-C192 HydrophobicContact CG2-CB 3.92Å
119E97.6Very high93.7Very high104 Ų10444.9 Ų44.949%0.48625%0.246SC..  trans-76.8140.5-177-72.7-64.8121.300111.9N121 S122 W184 G191E119-N121 PolarHBondContact O-N 2.85Å; E119-S122 VanDerWaalsContact O-CB 3.24Å; E119-S122 WeakPolarHBondContact O-CB 3.25Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 2.83Å; E119-W184 HydrophobicContact CB-CH2 3.53Å; E119-W184 HydrophobicContact CB-CZ2 4.45Å; E119-W184 HydrophobicContact CB-CZ3 4.22Å; E119-W184 HydrophobicContact CG-CH2 4Å; E119-G191 WeakPolarHBondContact CB-O 3.42Å; E119-G191 PolarHBondContact N-O 3.08Å
120P95.6Very high94.8Very high97 Ų9748.7 Ų48.763%0.6326%0.258SS*.THydrogen-bonded Turntrans-59.7134.5175.9-23.934.4000112.8S122P120-S122 PolarHBondContact O-N 2.97Å
121N95.2Very high95.7Very high132 Ų13247.8 Ų47.871%0.70626%0.259SS*.THydrogen-bonded Turntrans63.98.7-177.4-38.9-78.1000115.5E119E119-N121 PolarHBondContact O-N 2.85Å
122S97.6Very high96.3Very high0 Ų053 Ų530%028%0.278CS..SBendtrans-65.3162.3169.2630000112.6E119 P120 A124 G125 L126 L190 G191E119-S122 VanDerWaalsContact O-CB 3.24Å; E119-S122 WeakPolarHBondContact O-CB 3.25Å; E119-S122 PolarHBondContact O-N 3.32Å; E119-S122 PolarHBondContact O-OG 2.83Å; P120-S122 PolarHBondContact O-N 2.97Å; S122-A124 PolarHBondContact O-N 3.44Å; S122-G125 PolarHBondContact O-N 3.09Å; S122-G125 VanDerWaalsContact O-N 3.08Å; S122-G125 PolarHBondContact OG-N 3.39Å; S122-L126 WeakPolarHBondContact O-CB 3.43Å; S122-L126 VanDerWaalsContact O-CG 3.29Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 3.48Å; S122-L190 WeakPolarHBondContact CB-O 3.4Å; S122-G191 PolarHBondContact OG-O 2.97Å
123P97.7Very high96.7Very high11 Ų1154.2 Ų54.27%0.07129%0.286CS..Hα-helixtrans-49.8-38.7168.2-29.736.9000113.7A127 I178 T179 N181 W184P123-A127 WeakPolarHBondContact O-CB 3.29Å; P123-A127 PolarHBondContact O-N 2.98Å; P123-I178 HydrophobicContact CB-CD1 4.46Å; P123-I178 HydrophobicContact CB-CG1 4.21Å; P123-T179 WeakPolarHBondContact CB-O 3.42Å; P123-N181 HydrophobicContact CG-CB 4.21Å; P123-W184 HydrophobicContact CG-CB 4.41Å; P123-W184 HydrophobicContact CG-CG 4.4Å
124A97.4Very high96.8Very high0 Ų054.2 Ų54.20%029%0.286CS..Hα-helixtrans-67.3-44.6175.100000113.2V118 S122 A127 L129 I178 L190 C192V118-A124 HydrophobicContact CG1-CB 3.88Å; S122-A124 PolarHBondContact O-N 3.44Å; A124-A127 PolarHBondContact O-N 3.14Å; A124-L129 HydrophobicContact CB-CB 4.26Å; A124-L129 HydrophobicContact CB-CD1 3.91Å; A124-L129 WeakPolarHBondContact O-CB 3.42Å; A124-L129 PolarHBondContact O-N 3.1Å; A124-I178 HydrophobicContact CB-CD1 4.19Å; A124-L190 WeakPolarHBondContact CB-O 3.31Å; A124-L190 PolarHBondContact N-O 2.85Å; A124-C192 HydrophobicContact CB-CB 3.66Å
125G96.3Very high96.8Very high34 Ų3453.3 Ų53.335%0.35128%0.281SS..Hα-helixtrans-66.6-36.9177.200000113S122 A127 D128S122-G125 PolarHBondContact O-N 3.09Å; S122-G125 VanDerWaalsContact O-N 3.08Å; S122-G125 PolarHBondContact OG-N 3.39Å; G125-A127 PolarHBondContact O-N 2.83Å; G125-D128 PolarHBondContact O-N 2.96Å
126L96.9Very high96.6Very high135 Ų13553.3 Ų53.371%0.70728%0.281SS*.Hα-helixtrans-68.4-23.8174.6-68171.3000112.7S122S122-L126 WeakPolarHBondContact O-CB 3.43Å; S122-L126 VanDerWaalsContact O-CG 3.29Å; S122-L126 WeakPolarHBondContact O-CG 3.25Å; S122-L126 PolarHBondContact O-N 3.48Å
127A96.7Very high96.3Very high18 Ų1851.6 Ų51.615%0.14927%0.273CS..THydrogen-bonded Turntrans-90.78.4177.500000114.2P123 A124 G125 L129 V176 I177 I178P123-A127 WeakPolarHBondContact O-CB 3.29Å; P123-A127 PolarHBondContact O-N 2.98Å; A124-A127 PolarHBondContact O-N 3.14Å; G125-A127 PolarHBondContact O-N 2.83Å; A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 PolarHBondContact O-N 3.38Å; A127-V176 HydrophobicContact CB-CG1 3.73Å; A127-V176 WeakPolarHBondContact O-CG1 3.18Å; A127-I177 WeakPolarHBondContact CB-O 3.34Å; A127-I178 HydrophobicContact CB-CB 3.92Å; A127-I178 HydrophobicContact CB-CD1 4.16Å; A127-I178 HydrophobicContact CB-CG1 4.02Å
128D96.1Very high95.8Very high75 Ų7546.7 Ų46.740%0.40125%0.25SC..THydrogen-bonded Turntrans50.341.9-170.6-173.433.4000112.6G125 R130 R174G125-D128 PolarHBondContact O-N 2.96Å; D128-R130 IonicContact OD1-CZ 2.78Å; D128-R130 IonicContact OD1-NE 3.49Å; D128-R130 PolarHBondContact OD1-NE 3Å; D128-R130 IonicContact OD1-NH2 3.33Å; D128-R130 PolarHBondContact OD1-NH2 3.43Å; D128-R130 IonicContact OD2-CZ 2.67Å; D128-R130 IonicContact OD2-NE 2.67Å; D128-R130 PolarHBondContact OD2-NE 3.04Å; D128-R130 IonicContact OD2-NH2 3.44Å; D128-R130 PolarHBondContact OD2-NH2 3.05Å; D128-R174 PolarHBondContact O-NH2 3.25Å
129L96.9Very high95.3Very high6 Ų645.8 Ų45.83%0.03125%0.245CC..  trans-76.5126.6162.7-69.2-177.8000109.3V115 A124 A127 V165 V176 I178V115-L129 HydrophobicContact CG1-CB 4.4Å; A124-L129 HydrophobicContact CB-CB 4.26Å; A124-L129 HydrophobicContact CB-CD1 3.91Å; A124-L129 WeakPolarHBondContact O-CB 3.42Å; A124-L129 PolarHBondContact O-N 3.1Å; A127-L129 VanDerWaalsContact C-N 3.26Å; A127-L129 PolarHBondContact O-N 3.38Å; L129-V165 HydrophobicContact CD2-CG1 4.36Å; L129-V165 HydrophobicContact CD2-CG2 3.94Å; L129-V176 HydrophobicContact CD2-CB 4.42Å; L129-V176 HydrophobicContact CD2-CG1 3.94Å; L129-V176 HydrophobicContact CD2-CG2 4.19Å; L129-V176 HydrophobicContact CG-CG1 4.28Å; L129-I178 HydrophobicContact CD1-CD1 3.83Å
130R97.4Very high94.5Very high117 Ų11743.2 Ų43.244%0.44224%0.235SC..  trans-105127.6-170-62.2-174-177.8179.37.1111.5D128 V133 D134D128-R130 IonicContact OD1-CZ 2.78Å; D128-R130 IonicContact OD1-NE 3.49Å; D128-R130 PolarHBondContact OD1-NE 3Å; D128-R130 IonicContact OD1-NH2 3.33Å; D128-R130 PolarHBondContact OD1-NH2 3.43Å; D128-R130 IonicContact OD2-CZ 2.67Å; D128-R130 IonicContact OD2-NE 2.67Å; D128-R130 PolarHBondContact OD2-NE 3.04Å; D128-R130 IonicContact OD2-NH2 3.44Å; D128-R130 PolarHBondContact OD2-NH2 3.05Å; R130-V133 HydrophobicContact CB-CG2 3.58Å; R130-D134 PolarHBondContact N-OD2 3.48Å; R130-D134 WeakPolarHBondContact O-CB 3.48Å; R130-D134 PolarHBondContact O-N 3.23Å
131P97.3Very high93.6Very high62 Ų6241.6 Ų41.640%0.40322%0.223SC..THydrogen-bonded Turntrans-66139.4-173.428.1-36.2000111.9L116 V118 V133L116-P131 WeakPolarHBondContact O-CA 3.45Å; L116-P131 WeakPolarHBondContact O-CB 3.45Å; V118-P131 HydrophobicContact CG2-CB 4.19Å; P131-V133 PolarHBondContact O-N 3.46Å
132Y96.5Very high92.3Very high121 Ų12137 Ų3748%0.47520%0.203SC..THydrogen-bonded Turntrans64-10.7176.9-49.4-72.7000117.7H114 V115 L116 E117H114-Y132 WeakPolarHBondContact NE2-CA 3.49Å; H114-Y132 PolarHBondContact NE2-O 2.94Å; V115-Y132 VanDerWaalsContact O-CA 3.27Å; V115-Y132 WeakPolarHBondContact O-CA 3.24Å; V115-Y132 PolarHBondContact O-N 2.95Å; L116-Y132 HydrophobicContact CB-CE1 4.26Å; L116-Y132 HydrophobicContact CD2-CD1 4.15Å; L116-Y132 HydrophobicContact CD2-CE1 4.36Å; L116-Y132 PolarHBondContact O-N 3.44Å; E117-Y132 VanDerWaalsContact CG-OH 3.24Å; E117-Y132 WeakPolarHBondContact CG-OH 2.98Å
133V96.3Very high90.9Very high28 Ų2837.3 Ų37.317%0.1721%0.205CC..THydrogen-bonded Turntrans-115.2-16.5-176.3-61.40000114H114 R130 P131 N167 T168H114-V133 PolarHBondContact NE2-N 3.05Å; R130-V133 HydrophobicContact CB-CG2 3.58Å; P131-V133 PolarHBondContact O-N 3.46Å; V133-N167 WeakPolarHBondContact CG2-ND2 3.29Å; V133-N167 WeakPolarHBondContact O-CA 3.24Å; V133-T168 WeakPolarHBondContact CA-OG1 3.37Å; V133-T168 WeakPolarHBondContact CB-OG1 3.05Å; V133-T168 PolarHBondContact O-N 2.89Å; V133-T168 PolarHBondContact O-OG1 3.23Å
134D96.8Very high89.2Confident0 Ų043.5 Ų43.50%023%0.227CC..EExtended strand (participates in β ladder)trans-95.5141.2175.5-80.4-20000113.1V115 R130 V165 Y166 N167 R174V115-D134 HydrophobicContact CB-CB 4.06Å; V115-D134 WeakPolarHBondContact CB-O 3.43Å; V115-D134 HydrophobicContact CG2-CB 3.84Å; V115-D134 PolarHBondContact N-O 2.82Å; R130-D134 PolarHBondContact N-OD2 3.48Å; R130-D134 WeakPolarHBondContact O-CB 3.48Å; R130-D134 PolarHBondContact O-N 3.23Å; D134-V165 HydrophobicContact CB-CG1 3.63Å; D134-Y166 WeakPolarHBondContact CA-O 3.47Å; D134-N167 WeakPolarHBondContact OD1-CB 3.45Å; D134-N167 PolarHBondContact OD1-ND2 3.22Å; D134-R174 IonicContact OD1-CZ 3.55Å; D134-R174 IonicContact OD1-NH1 2.7Å; D134-R174 PolarHBondContact OD1-NH1 2.91Å; D134-R174 IonicContact OD1-NH2 3.5Å; D134-R174 PolarHBondContact OD1-NH2 2.7Å; D134-R174 IonicContact OD2-CZ 3.77Å; D134-R174 IonicContact OD2-NH1 3.25Å; D134-R174 PolarHBondContact OD2-NH1 2.79Å; D134-R174 IonicContact OD2-NH2 2.66Å; D134-R174 PolarHBondContact OD2-NH2 3.35Å
135Y94.9Very high87.8Confident11 Ų1148.1 Ų48.14%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-130.1113177.6-66.6-99.8000108.1V112 W113 H114 I137 V165 Y166 T168 H200 I202V112-Y135 HydrophobicContact CG1-CD1 3.83Å; V112-Y135 HydrophobicContact CG1-CG 4.28Å; W113-Y135 CarbonylContact O-C 3.5Å; W113-Y135 WeakPolarHBondContact O-CA 3.41Å; H114-Y135 HydrophobicContact CB-CD1 3.88Å; H114-Y135 HydrophobicContact CB-CE1 3.76Å; H114-Y135 AromaticContact CD2-CE1 3.6Å; H114-Y135 AromaticContact CD2-CE2 3.94Å; H114-Y135 AromaticContact CD2-CZ 3.52Å; H114-Y135 AromaticContact CG-CE1 3.51Å; H114-Y135 AromaticContact CG-CZ 3.86Å; H114-Y135 AromaticContact ND1-CE1 3.91Å; H114-Y135 AromaticContact NE2-CE2 3.86Å; H114-Y135 AromaticContact NE2-CZ 3.66Å; H114-Y135 PolarHBondContact NE2-OH 1.86Å; Y135-I137 PolarHBondContact O-N 3.01Å; Y135-V165 CarbonylContact O-C 3.51Å; Y135-V165 WeakPolarHBondContact O-CA 3.19Å; Y135-Y166 HydrophobicContact CD2-CD1 4.22Å; Y135-Y166 PolarHBondContact N-O 2.95Å; Y135-Y166 PolarHBondContact O-N 2.98Å; Y135-T168 HydrophobicContact CD2-CG2 4.04Å; Y135-T168 HydrophobicContact CE2-CG2 3.5Å; Y135-T168 VanDerWaalsContact CE2-CG2 3.5Å; Y135-H200 WeakPolarHBondContact CE1-O 3.48Å; Y135-I202 HydrophobicContact CD1-CG1 3.66Å; Y135-I202 HydrophobicContact CD2-CG1 3.99Å; Y135-I202 HydrophobicContact CE1-CG1 4.28Å; Y135-I202 HydrophobicContact CG-CD1 4.25Å; Y135-I202 HydrophobicContact CG-CG1 3.49Å; Y135-I202 VanDerWaalsContact CG-CG1 3.49Å
136I93.8Very high86.2Confident0 Ų047.8 Ų47.80%024%0.241CC..EExtended strand (participates in β ladder)trans-69.3125.3170.7-58.1161.3000106.9V112 W113 V115 L149 L163 V165 I194V112-I136 WeakPolarHBondContact CA-O 3.48Å; W113-I136 HydrophobicContact CB-CB 4.29Å; W113-I136 HydrophobicContact CE3-CG2 4.43Å; W113-I136 PolarHBondContact N-O 3.27Å; W113-I136 PolarHBondContact O-N 3.37Å; V115-I136 HydrophobicContact CG2-CD1 4.31Å; V115-I136 HydrophobicContact CG2-CG1 4.27Å; I136-L149 HydrophobicContact CD1-CD2 4.2Å; I136-L149 HydrophobicContact CG2-CD1 4.49Å; I136-L163 HydrophobicContact CD1-CD1 3.99Å; I136-L163 HydrophobicContact CG1-CD1 4.27Å; I136-L163 HydrophobicContact CG2-CD1 4.41Å; I136-L163 HydrophobicContact CG2-CD2 4.39Å; I136-V165 HydrophobicContact CG1-CG2 4.21Å; I136-I194 HydrophobicContact CD1-CD1 4.2Å
137I89.3Confident84.6Confident0 Ų047 Ų470%023%0.233CC..EExtended strand (participates in β ladder)trans-114.8-7.6-173.952166.4000112.9F36 R101 V112 Y135 Y164 C173 I202F36-I137 HydrophobicContact CB-CD1 3.8Å; F36-I137 HydrophobicContact CD1-CG2 4.46Å; F36-I137 HydrophobicContact CD2-CB 3.5Å; F36-I137 HydrophobicContact CD2-CD1 3.78Å; F36-I137 HydrophobicContact CD2-CG1 4.23Å; F36-I137 HydrophobicContact CD2-CG2 3.37Å; F36-I137 HydrophobicContact CE2-CB 3.71Å; F36-I137 HydrophobicContact CE2-CG2 3.43Å; F36-I137 VanDerWaalsContact CE2-CG2 3.43Å; F36-I137 HydrophobicContact CG-CB 4.38Å; F36-I137 HydrophobicContact CG-CD1 4.09Å; F36-I137 HydrophobicContact CG-CG2 3.91Å; F36-I137 HydrophobicContact CZ-CG2 4.06Å; R101-I137 PolarHBondContact NH2-O 2.98Å; V112-I137 HydrophobicContact CG1-CG2 4.28Å; Y135-I137 PolarHBondContact O-N 3.01Å; I137-Y164 WeakPolarHBondContact CG1-O 3.44Å; I137-Y164 PolarHBondContact N-O 3.34Å; I137-C173 HydrophobicContact CD1-CB 4.33Å; I137-I202 HydrophobicContact CG2-CD1 3.71Å
138G87.9Confident83.8Confident1 Ų148.9 Ų48.91%0.0124%0.241CC..EExtended strand (participates in β ladder)trans167.8-174.317500000111.6Y164G138-Y164 PolarHBondContact O-N 3.3Å
139A87.4Confident83.4Confident9 Ų945.4 Ų45.47%0.07422%0.222CC..EExtended strand (participates in β ladder)trans-138.2177.8172.600000110.2T141 M143 L152 L161 K162 L163A139-T141 PolarHBondContact O-N 3.15Å; A139-M143 HydrophobicContact CB-CE 3.44Å; A139-M143 VanDerWaalsContact CB-CE 3.44Å; A139-M143 HydrophobicContact CB-SD 4.2Å; A139-L152 HydrophobicContact CB-CD2 3.71Å; A139-L161 HydrophobicContact CB-CD1 4.4Å; A139-K162 WeakPolarHBondContact CA-O 3.26Å; A139-K162 WeakPolarHBondContact CB-O 3.49Å; A139-L163 HydrophobicContact CB-CD2 3.74Å
140D80.8Confident83.1Confident50 Ų5050 Ų5027%0.26724%0.242SC..SBendtrans-70.6-16.5175.3-146.655.8000113.4K162 Y164 A398 N400D140-K162 HydrophobicContact CB-CB 3.89Å; D140-K162 HydrophobicContact CB-CD 4Å; D140-K162 HydrophobicContact CB-CG 4.11Å; D140-K162 PolarHBondContact N-O 2.94Å; D140-Y164 PolarHBondContact OD1-OH 3.42Å; D140-A398 WeakPolarHBondContact O-CB 3.4Å; D140-N400 PolarHBondContact OD1-ND2 3.13Å; D140-N400 PolarHBondContact OD2-ND2 2.63Å
141T77.1Confident82.7Confident64 Ų6447.7 Ų47.739%0.39324%0.244SC..SBendtrans-96.4144.7166.1-61.20000110.5A139 M143 L152A139-T141 PolarHBondContact O-N 3.15Å; T141-M143 PolarHBondContact O-N 2.7Å; T141-L152 HydrophobicContact CG2-CD1 3.67Å
142A66.5Low82.4Confident34 Ų3445.7 Ų45.728%0.28123%0.23SC..  trans-68.7100.6-173.800000113.5A398A142-A398 HydrophobicContact CB-CB 3.9Å
143M68.8Low82.2Confident7 Ų740.6 Ų40.63%0.03421%0.211CC..  trans-83.8133.2167.2-62.8169.4176.300111.7R101 W113 A139 T141 D148 L149 L152R101-M143 PolarHBondContact NH1-O 3Å; W113-M143 HydrophobicContact CH2-CB 4.27Å; W113-M143 HydrophobicContact CH2-CG 4.49Å; W113-M143 HydrophobicContact CH2-SD 3.67Å; W113-M143 HydrophobicContact CZ2-SD 4.47Å; W113-M143 HydrophobicContact CZ3-SD 3.86Å; A139-M143 HydrophobicContact CB-CE 3.44Å; A139-M143 VanDerWaalsContact CB-CE 3.44Å; A139-M143 HydrophobicContact CB-SD 4.2Å; T141-M143 PolarHBondContact O-N 2.7Å; M143-D148 HydrophobicContact CB-CB 4.16Å; M143-D148 HydrophobicContact CG-CB 4.05Å; M143-L149 HydrophobicContact CE-CB 4.16Å; M143-L149 HydrophobicContact CE-CD1 3.58Å; M143-L149 HydrophobicContact CE-CG 4.48Å; M143-L152 HydrophobicContact CE-CB 4.42Å; M143-L152 HydrophobicContact CE-CD2 3.45Å; M143-L152 VanDerWaalsContact CE-CD2 3.45Å
144R63.3Low82Confident142 Ų14244.7 Ų44.754%0.53623%0.228SC..  trans-114.3-33.1179.1-59.6-179-174.4-105.1-5.2112.4R107 N111 D148 S396R107-R144 PolarHBondContact NH1-O 2.87Å; N111-R144 VanDerWaalsContact ND2-C 3.28Å; N111-R144 PolarHBondContact ND2-O 2.81Å; R144-D148 WeakPolarHBondContact CA-OD2 3.42Å; R144-D148 PolarHBondContact N-OD2 2.97Å; R144-S396 PolarHBondContact NH2-O 3.01Å; R144-S396 PolarHBondContact NH2-OG 2.72Å
145E66.8Low81.8Confident97 Ų9747.3 Ų47.345%0.45325%0.251SS..SBendtrans-139.6178.4-174-54.2-158146.700112.6R107 W113 D148R107-E145 IonicContact CZ-OE1 3.56Å; R107-E145 IonicContact NH1-OE1 3.65Å; R107-E145 PolarHBondContact NH1-OE1 2.88Å; R107-E145 IonicContact NH2-OE1 3.58Å; W113-E145 WeakPolarHBondContact CZ2-O 3.47Å; E145-D148 PolarHBondContact N-OD2 2.76Å
146S63.5Low81.7Confident27 Ų2748.8 Ų48.819%0.18926%0.258CS..SBendtrans-66.2-39.6-171.47.40000114W113 D148W113-S146 WeakPolarHBondContact CZ2-O 3.47Å; W113-S146 PolarHBondContact NE1-O 2.96Å; S146-D148 VanDerWaalsContact C-N 3.28Å; S146-D148 PolarHBondContact O-N 3.37Å
147E62.9Low81.8Confident118 Ų11851.6 Ų51.655%0.55127%0.271SS*.THydrogen-bonded Turntrans-71.6-26.7-174-69.660.1-142.100111L149 F150 S151E147-L149 PolarHBondContact O-N 2.67Å; E147-F150 PolarHBondContact O-N 2.68Å; E147-F150 VanDerWaalsContact O-N 3.1Å; E147-S151 PolarHBondContact O-N 2.77Å; E147-S151 VanDerWaalsContact O-N 3.16Å
148D80.4Confident82Confident57 Ų5754.5 Ų54.531%0.30530%0.301SS..Hα-helixtrans-59-30.6-178.4-66.6-23000113M143 R144 E145 S146 L152M143-D148 HydrophobicContact CB-CB 4.16Å; M143-D148 HydrophobicContact CG-CB 4.05Å; R144-D148 WeakPolarHBondContact CA-OD2 3.42Å; R144-D148 PolarHBondContact N-OD2 2.97Å; E145-D148 PolarHBondContact N-OD2 2.76Å; S146-D148 VanDerWaalsContact C-N 3.28Å; S146-D148 PolarHBondContact O-N 3.37Å; D148-L152 WeakPolarHBondContact O-CB 3.35Å; D148-L152 PolarHBondContact O-N 3.41Å
149L87.6Confident82.4Confident2 Ų259.9 Ų59.91%0.0132%0.324CS..Hα-helixtrans-64.8-46.6176.2177.364.1000111.4W113 I136 M143 E147 L152 V153 L163W113-L149 HydrophobicContact CB-CD2 3.73Å; W113-L149 HydrophobicContact CD2-CB 4.12Å; W113-L149 HydrophobicContact CD2-CD2 3.72Å; W113-L149 HydrophobicContact CE3-CD2 4.42Å; W113-L149 HydrophobicContact CG-CB 4.48Å; W113-L149 HydrophobicContact CG-CD2 3.39Å; W113-L149 HydrophobicContact CH2-CB 4.46Å; W113-L149 HydrophobicContact CZ2-CB 3.76Å; I136-L149 HydrophobicContact CD1-CD2 4.2Å; I136-L149 HydrophobicContact CG2-CD1 4.49Å; M143-L149 HydrophobicContact CE-CB 4.16Å; M143-L149 HydrophobicContact CE-CD1 3.58Å; M143-L149 HydrophobicContact CE-CG 4.48Å; E147-L149 PolarHBondContact O-N 2.67Å; L149-L152 PolarHBondContact O-N 3.45Å; L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 WeakPolarHBondContact O-CB 2.95Å; L149-V153 VanDerWaalsContact O-CG2 3.26Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.42Å; L149-L163 HydrophobicContact CD1-CD2 4.31Å
150F89.6Confident82.7Confident103 Ų10366.4 Ų66.445%0.45235%0.353SS..Hα-helixtrans-67.7-47.8-177.1-58.4-75.1000110.6E147 L152 V153 E154 I194E147-F150 PolarHBondContact O-N 2.68Å; E147-F150 VanDerWaalsContact O-N 3.1Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 2.85Å; F150-V153 PolarHBondContact O-N 2.85Å; F150-E154 WeakPolarHBondContact O-CG 3.44Å; F150-E154 PolarHBondContact O-N 3.1Å; F150-I194 HydrophobicContact CZ-CG2 4.25Å
151S90.1Very high83.3Confident69 Ų6964.2 Ų64.248%0.48334%0.341SS..Hα-helixtrans-67.1-28176.3-62.20000113.7E147 A155E147-S151 PolarHBondContact O-N 2.77Å; E147-S151 VanDerWaalsContact O-N 3.16Å; S151-A155 WeakPolarHBondContact O-CB 3.38Å; S151-A155 PolarHBondContact O-N 2.77Å
152L90.1Very high84.1Confident20 Ų2064 Ų6411%0.10534%0.335CS..Hα-helixtrans-71.9-39.4173.1-171.770.6000111.8A139 T141 M143 D148 L149 F150 A155 H156 L161A139-L152 HydrophobicContact CB-CD2 3.71Å; T141-L152 HydrophobicContact CG2-CD1 3.67Å; M143-L152 HydrophobicContact CE-CB 4.42Å; M143-L152 HydrophobicContact CE-CD2 3.45Å; M143-L152 VanDerWaalsContact CE-CD2 3.45Å; D148-L152 WeakPolarHBondContact O-CB 3.35Å; D148-L152 PolarHBondContact O-N 3.41Å; L149-L152 PolarHBondContact O-N 3.45Å; F150-L152 VanDerWaalsContact C-N 3.31Å; F150-L152 PolarHBondContact O-N 2.85Å; L152-A155 PolarHBondContact O-N 2.7Å; L152-H156 WeakPolarHBondContact CD1-CE1 3.11Å; L152-H156 WeakPolarHBondContact O-CB 3.18Å; L152-H156 PolarHBondContact O-N 3.47Å; L152-H156 PolarHBondContact O-ND1 2.85Å; L152-L161 HydrophobicContact CD2-CD1 3.69Å; L152-L161 HydrophobicContact CD2-CD2 4.38Å; L152-L161 HydrophobicContact CG-CD1 4.02Å; L152-L161 HydrophobicContact CG-CD2 4.34Å
153V92.6Very high85.3Confident13 Ų1362.4 Ų62.48%0.07932%0.321CS..Hα-helixtrans-60.9-49.2173.9165.60000110.3L149 F150 A155 H156 E157 L161 P180 L190L149-V153 HydrophobicContact CD1-CG2 4.23Å; L149-V153 WeakPolarHBondContact O-CB 2.95Å; L149-V153 VanDerWaalsContact O-CG2 3.26Å; L149-V153 WeakPolarHBondContact O-CG2 3.42Å; L149-V153 PolarHBondContact O-N 3.42Å; F150-V153 PolarHBondContact O-N 2.85Å; V153-A155 VanDerWaalsContact C-N 3.3Å; V153-A155 PolarHBondContact O-N 2.87Å; V153-H156 CarbonylContact O-C 3.56Å; V153-H156 PolarHBondContact O-N 2.93Å; V153-E157 PolarHBondContact O-N 2.85Å; V153-L161 HydrophobicContact CG2-CD2 3.97Å; V153-P180 HydrophobicContact CG1-CB 3.96Å; V153-P180 HydrophobicContact CG1-CG 4.05Å; V153-L190 HydrophobicContact CG1-CD1 4.32Å; V153-L190 HydrophobicContact CG1-CD2 3.88Å; V153-L190 HydrophobicContact CG1-CG 3.92Å; V153-L190 HydrophobicContact CG2-CD1 4.02Å; V153-L190 HydrophobicContact CG2-CD2 4.3Å; V153-L190 HydrophobicContact CG2-CG 4.44Å
154E92Very high86.4Confident114 Ų11462.4 Ų62.453%0.53332%0.321SS..Hα-helixtrans-57.4-39.9174.5-69.9171.917300112.3F150 H156 E157F150-E154 WeakPolarHBondContact O-CG 3.44Å; F150-E154 PolarHBondContact O-N 3.1Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 3.47Å; E154-E157 WeakPolarHBondContact O-CB 3.32Å; E154-E157 PolarHBondContact O-N 2.81Å
155A91.8Very high87.9Confident56 Ų5655.7 Ų55.746%0.46330%0.296SS..Hα-helixtrans-70.4-20.2176.700000114S151 L152 V153 K159S151-A155 WeakPolarHBondContact O-CB 3.38Å; S151-A155 PolarHBondContact O-N 2.77Å; L152-A155 PolarHBondContact O-N 2.7Å; V153-A155 VanDerWaalsContact C-N 3.3Å; V153-A155 PolarHBondContact O-N 2.87Å; A155-K159 PolarHBondContact O-NZ 2.87Å
156H93.6Very high89.1Confident42 Ų4251.6 Ų51.619%0.19428%0.276CS..THydrogen-bonded Turntrans-104.814.1179.2-70.174.5000113.6L152 V153 E154 G158 K159 L161 P180L152-H156 WeakPolarHBondContact CD1-CE1 3.11Å; L152-H156 WeakPolarHBondContact O-CB 3.18Å; L152-H156 PolarHBondContact O-N 3.47Å; L152-H156 PolarHBondContact O-ND1 2.85Å; V153-H156 CarbonylContact O-C 3.56Å; V153-H156 PolarHBondContact O-N 2.93Å; E154-H156 VanDerWaalsContact C-N 3.26Å; E154-H156 PolarHBondContact O-N 3.47Å; H156-G158 PolarHBondContact O-N 3.41Å; H156-K159 WeakPolarHBondContact O-CB 3.36Å; H156-K159 PolarHBondContact O-N 2.93Å; H156-L161 HydrophobicContact CB-CB 3.93Å; H156-L161 HydrophobicContact CB-CD2 4.29Å; H156-P180 HydrophobicContact CB-CG 4.22Å
157E95.6Very high90.6Very high58 Ų5850.5 Ų50.527%0.27127%0.268SS..THydrogen-bonded Turntrans-48122.2168.9-16867.4-161.900111.1V153 E154 K159 N181 S182 S189V153-E157 PolarHBondContact O-N 2.85Å; E154-E157 WeakPolarHBondContact O-CB 3.32Å; E154-E157 PolarHBondContact O-N 2.81Å; E157-K159 PolarHBondContact O-N 2.95Å; E157-N181 WeakPolarHBondContact OE1-CA 3.04Å; E157-S182 VanDerWaalsContact OE1-CB 3.32Å; E157-S182 WeakPolarHBondContact OE1-CB 3.34Å; E157-S182 PolarHBondContact OE1-N 3.1Å; E157-S182 PolarHBondContact OE1-OG 2.9Å; E157-S189 WeakPolarHBondContact OE2-CB 3.49Å; E157-S189 PolarHBondContact OE2-OG 3.45Å
158G94.2Very high92Very high61 Ų6146.9 Ų46.963%0.62925%0.254SS*.THydrogen-bonded Turntrans73.613-176.300000116.2H156 P180H156-G158 PolarHBondContact O-N 3.41Å; G158-P180 PolarHBondContact N-O 3.3Å
159K95.6Very high92.5Very high115 Ų11550.2 Ų50.250%0.527%0.272SS..SBendtrans-132.8152.3-174.8-55.5168.6-153.6149.50111.9A155 H156 E157 L161 T179 P180A155-K159 PolarHBondContact O-NZ 2.87Å; H156-K159 WeakPolarHBondContact O-CB 3.36Å; H156-K159 PolarHBondContact O-N 2.93Å; E157-K159 PolarHBondContact O-N 2.95Å; K159-L161 PolarHBondContact O-N 2.88Å; K159-T179 WeakPolarHBondContact O-CA 3.4Å; K159-P180 VanDerWaalsContact O-CD 3.25Å; K159-P180 WeakPolarHBondContact O-CD 3.5Å
160E94.7Very high92.6Very high146 Ų14652.9 Ų52.968%0.68229%0.294SS*.  trans-64121.3170.7-66.9-177.8161.800110.8I177E160-I177 HydrophobicContact CB-CG2 3.87Å; E160-I177 HydrophobicContact CG-CG2 4Å
161L93.6Very high92.5Very high3 Ų352.1 Ų52.12%0.01630%0.295CS..EExtended strand (participates in β ladder)trans-112.2122.3171173.757.4000108.7A139 L152 V153 H156 K159 L163 I178 P180A139-L161 HydrophobicContact CB-CD1 4.4Å; L152-L161 HydrophobicContact CD2-CD1 3.69Å; L152-L161 HydrophobicContact CD2-CD2 4.38Å; L152-L161 HydrophobicContact CG-CD1 4.02Å; L152-L161 HydrophobicContact CG-CD2 4.34Å; V153-L161 HydrophobicContact CG2-CD2 3.97Å; H156-L161 HydrophobicContact CB-CB 3.93Å; H156-L161 HydrophobicContact CB-CD2 4.29Å; K159-L161 PolarHBondContact O-N 2.88Å; L161-L163 HydrophobicContact CD1-CD2 4.49Å; L161-L163 HydrophobicContact CD2-CD2 4.06Å; L161-L163 HydrophobicContact CG-CD2 3.98Å; L161-L163 HydrophobicContact CG-CG 4.44Å; L161-I178 HydrophobicContact CB-CG2 4.28Å; L161-I178 PolarHBondContact N-O 3.03Å; L161-I178 WeakPolarHBondContact O-CG2 3.46Å; L161-I178 PolarHBondContact O-N 3.39Å; L161-P180 HydrophobicContact CB-CG 4.5Å; L161-P180 HydrophobicContact CD2-CG 4.46Å
162K92.6Very high92.4Very high60 Ų6052.3 Ų52.326%0.26129%0.291SS..EExtended strand (participates in β ladder)trans-89.8118.4176.2174.5-175.8-61-150.80110.7A139 D140 E175A139-K162 WeakPolarHBondContact CA-O 3.26Å; A139-K162 WeakPolarHBondContact CB-O 3.49Å; D140-K162 HydrophobicContact CB-CB 3.89Å; D140-K162 HydrophobicContact CB-CD 4Å; D140-K162 HydrophobicContact CB-CG 4.11Å; D140-K162 PolarHBondContact N-O 2.94Å; K162-E175 VanDerWaalsContact CD-CD 3.41Å; K162-E175 HydrophobicContact CD-CG 3.8Å; K162-E175 VanDerWaalsContact CE-CD 3.44Å; K162-E175 WeakPolarHBondContact CE-OE1 3.49Å; K162-E175 HydrophobicContact CG-CG 3.67Å; K162-E175 IonicContact NZ-OE1 2.59Å; K162-E175 PolarHBondContact NZ-OE1 2.95Å; K162-E175 IonicContact NZ-OE2 2.7Å; K162-E175 PolarHBondContact NZ-OE2 2.77Å
163L93Very high92.4Very high0 Ų052.3 Ų52.30%029%0.292CS..EExtended strand (participates in β ladder)trans-105.9150.2175-59.4-176.8000111.2I136 A139 L149 L161 V165 V176 I178I136-L163 HydrophobicContact CD1-CD1 3.99Å; I136-L163 HydrophobicContact CG1-CD1 4.27Å; I136-L163 HydrophobicContact CG2-CD1 4.41Å; I136-L163 HydrophobicContact CG2-CD2 4.39Å; A139-L163 HydrophobicContact CB-CD2 3.74Å; L149-L163 HydrophobicContact CD1-CD2 4.31Å; L161-L163 HydrophobicContact CD1-CD2 4.49Å; L161-L163 HydrophobicContact CD2-CD2 4.06Å; L161-L163 HydrophobicContact CG-CD2 3.98Å; L161-L163 HydrophobicContact CG-CG 4.44Å; L163-V165 HydrophobicContact CB-CG2 4.19Å; L163-V176 PolarHBondContact N-O 2.99Å; L163-V176 PolarHBondContact O-N 2.79Å; L163-I178 HydrophobicContact CD1-CG2 3.74Å; L163-I178 HydrophobicContact CG-CG2 3.97Å
164Y91.2Very high92.3Very high8 Ų854.1 Ų54.13%0.03130%0.297CS..EExtended strand (participates in β ladder)trans-103.9124.9167-62.7-75.5000108.1L20 R21 I137 G138 D140L20-Y164 HydrophobicContact CB-CG 4.38Å; L20-Y164 HydrophobicContact CD1-CD2 4.16Å; L20-Y164 HydrophobicContact CD1-CE2 4.39Å; R21-Y164 HydrophobicContact CB-CD1 4.25Å; R21-Y164 HydrophobicContact CB-CE1 4.21Å; I137-Y164 WeakPolarHBondContact CG1-O 3.44Å; I137-Y164 PolarHBondContact N-O 3.34Å; G138-Y164 PolarHBondContact O-N 3.3Å; D140-Y164 PolarHBondContact OD1-OH 3.42Å
165V94.3Very high92.3Very high0 Ų051.4 Ų51.40%028%0.284CS..EExtended strand (participates in β ladder)trans-129.5121.7-170.5-176.70000110L129 D134 Y135 I136 L163 C173 R174 V176L129-V165 HydrophobicContact CD2-CG1 4.36Å; L129-V165 HydrophobicContact CD2-CG2 3.94Å; D134-V165 HydrophobicContact CB-CG1 3.63Å; Y135-V165 CarbonylContact O-C 3.51Å; Y135-V165 WeakPolarHBondContact O-CA 3.19Å; I136-V165 HydrophobicContact CG1-CG2 4.21Å; L163-V165 HydrophobicContact CB-CG2 4.19Å; V165-C173 CarbonylContact O-C 3.47Å; V165-C173 WeakPolarHBondContact O-CA 3.33Å; V165-R174 PolarHBondContact N-O 2.8Å; V165-R174 PolarHBondContact O-N 2.82Å; V165-V176 HydrophobicContact CB-CG2 4.04Å; V165-V176 HydrophobicContact CG2-CB 3.96Å; V165-V176 HydrophobicContact CG2-CG2 3.65Å
166Y92.8Very high92.4Very high11 Ų1149 Ų494%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-87.3136.7168.9170.1-95000110.2F37 R75 D134 Y135 T168 D171 N172 I202F37-Y166 HydrophobicContact CE2-CD2 4.08Å; F37-Y166 AromaticContact CE2-CE2 3.57Å; F37-Y166 HydrophobicContact CE2-CE2 3.57Å; F37-Y166 HydrophobicContact CZ-CD2 4.21Å; F37-Y166 AromaticContact CZ-CE2 3.68Å; F37-Y166 HydrophobicContact CZ-CE2 3.68Å; F37-Y166 AromaticContact CZ-CZ 3.83Å; R75-Y166 PolarHBondContact NH2-OH 3.25Å; R75-Y166 VanDerWaalsContact NH2-OH 3.11Å; D134-Y166 WeakPolarHBondContact CA-O 3.47Å; Y135-Y166 HydrophobicContact CD2-CD1 4.22Å; Y135-Y166 PolarHBondContact N-O 2.95Å; Y135-Y166 PolarHBondContact O-N 2.98Å; Y166-T168 HydrophobicContact CE1-CG2 3.73Å; Y166-D171 PolarHBondContact OH-OD1 3.34Å; Y166-N172 CarbonylContact C-O 3.53Å; Y166-N172 WeakPolarHBondContact CA-O 3.49Å; Y166-N172 WeakPolarHBondContact CD2-O 3.21Å; Y166-I202 HydrophobicContact CD1-CD1 3.5Å; Y166-I202 HydrophobicContact CD1-CG1 3.63Å; Y166-I202 HydrophobicContact CD1-CG2 4.06Å; Y166-I202 HydrophobicContact CE1-CB 4.42Å; Y166-I202 HydrophobicContact CE1-CD1 4.19Å; Y166-I202 HydrophobicContact CE1-CG1 3.99Å; Y166-I202 HydrophobicContact CE1-CG2 3.57Å; Y166-I202 HydrophobicContact CG-CD1 3.87Å; Y166-I202 HydrophobicContact CG-CG1 4.48Å
167N93.6Very high92.6Very high5 Ų551 Ų513%0.02728%0.276CS..EExtended strand (participates in β ladder)trans-113.8129.2176.1-176.2-94.6000110.9V133 D134 D169 A170 D171 N172V133-N167 WeakPolarHBondContact CG2-ND2 3.29Å; V133-N167 WeakPolarHBondContact O-CA 3.24Å; D134-N167 WeakPolarHBondContact OD1-CB 3.45Å; D134-N167 PolarHBondContact OD1-ND2 3.22Å; N167-D169 PolarHBondContact OD1-N 3.48Å; N167-D169 VanDerWaalsContact OD1-N 3.09Å; N167-A170 HydrophobicContact CB-CB 4.47Å; N167-A170 PolarHBondContact OD1-N 2.84Å; N167-D171 PolarHBondContact O-N 3.32Å; N167-N172 PolarHBondContact N-O 3.35Å; N167-N172 PolarHBondContact O-N 2.66Å
168T92.4Very high92.6Very high42 Ų4248.4 Ų48.426%0.25826%0.263SS..THydrogen-bonded Turntrans-71.5-32-178.645.80000114.6V133 Y135 Y166 P203V133-T168 WeakPolarHBondContact CA-OG1 3.37Å; V133-T168 WeakPolarHBondContact CB-OG1 3.05Å; V133-T168 PolarHBondContact O-N 2.89Å; V133-T168 PolarHBondContact O-OG1 3.23Å; Y135-T168 HydrophobicContact CD2-CG2 4.04Å; Y135-T168 HydrophobicContact CE2-CG2 3.5Å; Y135-T168 VanDerWaalsContact CE2-CG2 3.5Å; Y166-T168 HydrophobicContact CE1-CG2 3.73Å; T168-P203 HydrophobicContact CG2-CG 4.39Å
169D92.4Very high92.7Very high127 Ų12748.5 Ų48.568%0.67925%0.252SS*.THydrogen-bonded Turntrans-78.3-35.1-174.2-61.6-8.8000111.5N167N167-D169 PolarHBondContact OD1-N 3.48Å; N167-D169 VanDerWaalsContact OD1-N 3.09Å
170A89.2Confident92.8Very high57 Ų5743 Ų4347%0.47123%0.228SC..THydrogen-bonded Turntrans-94.1-3.8179.800000114.2N167 N172N167-A170 HydrophobicContact CB-CB 4.47Å; N167-A170 PolarHBondContact OD1-N 2.84Å; A170-N172 PolarHBondContact O-N 2.7Å
171D87.2Confident92.9Very high88 Ų8839 Ų3947%0.47121%0.211SC..THydrogen-bonded Turntrans41.747.3-172.3-161.57.3000113.4R75 Y166 N167R75-D171 IonicContact CZ-OD1 3.87Å; R75-D171 IonicContact CZ-OD2 3.45Å; R75-D171 IonicContact NH1-OD1 2.7Å; R75-D171 PolarHBondContact NH1-OD1 3.17Å; R75-D171 IonicContact NH1-OD2 3.57Å; R75-D171 PolarHBondContact NH1-OD2 3.23Å; R75-D171 IonicContact NH2-OD1 2.77Å; R75-D171 PolarHBondContact NH2-OD1 3.04Å; R75-D171 IonicContact NH2-OD2 2.67Å; Y166-D171 PolarHBondContact OH-OD1 3.34Å; N167-D171 PolarHBondContact O-N 3.32Å
172N87.3Confident93Very high73 Ų7341.7 Ų41.739%0.3923%0.23SC..EExtended strand (participates in β ladder)trans-141164.6-174.574.920000113.2Y166 N167 A170Y166-N172 CarbonylContact C-O 3.53Å; Y166-N172 WeakPolarHBondContact CA-O 3.49Å; Y166-N172 WeakPolarHBondContact CD2-O 3.21Å; N167-N172 PolarHBondContact N-O 3.35Å; N167-N172 PolarHBondContact O-N 2.66Å; A170-N172 PolarHBondContact O-N 2.7Å
173C89.9Confident93.2Very high19 Ų1946.1 Ų46.113%0.12826%0.257CS..EExtended strand (participates in β ladder)trans-112.4129.9170.2-64.20000110.1P35 I137 V165P35-C173 HydrophobicContact CB-CB 3.63Å; P35-C173 VanDerWaalsContact CB-SG 3.53Å; I137-C173 HydrophobicContact CD1-CB 4.33Å; V165-C173 CarbonylContact O-C 3.47Å; V165-C173 WeakPolarHBondContact O-CA 3.33Å
174R91.4Very high93.3Very high52 Ų5248.8 Ų48.820%0.19627%0.267CS..EExtended strand (participates in β ladder)trans-119.4162.2174.172.9-172.1-172.8-726.7111.7D128 D134 V165 V176D128-R174 PolarHBondContact O-NH2 3.25Å; D134-R174 IonicContact OD1-CZ 3.55Å; D134-R174 IonicContact OD1-NH1 2.7Å; D134-R174 PolarHBondContact OD1-NH1 2.91Å; D134-R174 IonicContact OD1-NH2 3.5Å; D134-R174 PolarHBondContact OD1-NH2 2.7Å; D134-R174 IonicContact OD2-CZ 3.77Å; D134-R174 IonicContact OD2-NH1 3.25Å; D134-R174 PolarHBondContact OD2-NH1 2.79Å; D134-R174 IonicContact OD2-NH2 2.66Å; D134-R174 PolarHBondContact OD2-NH2 3.35Å; V165-R174 PolarHBondContact N-O 2.8Å; V165-R174 PolarHBondContact O-N 2.82Å; R174-V176 HydrophobicContact CG-CG2 4.07Å
175E91.3Very high93.4Very high56 Ų5652.2 Ų52.226%0.26230%0.304SS..EExtended strand (participates in β ladder)trans-91.6132170.2-174.9172.9115.200108.3R21 K162R21-E175 IonicContact CZ-OE2 3.59Å; R21-E175 IonicContact NH1-OE1 2.87Å; R21-E175 IonicContact NH1-OE2 3.49Å; R21-E175 PolarHBondContact NH1-OE2 3.34Å; K162-E175 VanDerWaalsContact CD-CD 3.41Å; K162-E175 HydrophobicContact CD-CG 3.8Å; K162-E175 VanDerWaalsContact CE-CD 3.44Å; K162-E175 WeakPolarHBondContact CE-OE1 3.49Å; K162-E175 HydrophobicContact CG-CG 3.67Å; K162-E175 IonicContact NZ-OE1 2.59Å; K162-E175 PolarHBondContact NZ-OE1 2.95Å; K162-E175 IonicContact NZ-OE2 2.7Å; K162-E175 PolarHBondContact NZ-OE2 2.77Å
176V95.2Very high93.4Very high6 Ų654.1 Ų54.14%0.03632%0.324CS..EExtended strand (participates in β ladder)trans-122.4126.7177.2174.20000107.9A127 L129 L163 V165 R174A127-V176 HydrophobicContact CB-CG1 3.73Å; A127-V176 WeakPolarHBondContact O-CG1 3.18Å; L129-V176 HydrophobicContact CD2-CB 4.42Å; L129-V176 HydrophobicContact CD2-CG1 3.94Å; L129-V176 HydrophobicContact CD2-CG2 4.19Å; L129-V176 HydrophobicContact CG-CG1 4.28Å; L163-V176 PolarHBondContact N-O 2.99Å; L163-V176 PolarHBondContact O-N 2.79Å; V165-V176 HydrophobicContact CB-CG2 4.04Å; V165-V176 HydrophobicContact CG2-CB 3.96Å; V165-V176 HydrophobicContact CG2-CG2 3.65Å; R174-V176 HydrophobicContact CG-CG2 4.07Å
177I96Very high93.5Very high85 Ų8558.9 Ų58.944%0.43635%0.351SS..EExtended strand (participates in β ladder)trans-101.2120.6171.9-58.2175.8000106.8A127 E160A127-I177 WeakPolarHBondContact CB-O 3.34Å; E160-I177 HydrophobicContact CB-CG2 3.87Å; E160-I177 HydrophobicContact CG-CG2 4Å
178I96.4Very high93.5Very high2 Ų260.7 Ų60.71%0.0137%0.37CS..EExtended strand (participates in β ladder)trans-126.1142.8-179.5-172.4161000108.9P123 A124 A127 L129 L161 L163 P180 L190P123-I178 HydrophobicContact CB-CD1 4.46Å; P123-I178 HydrophobicContact CB-CG1 4.21Å; A124-I178 HydrophobicContact CB-CD1 4.19Å; A127-I178 HydrophobicContact CB-CB 3.92Å; A127-I178 HydrophobicContact CB-CD1 4.16Å; A127-I178 HydrophobicContact CB-CG1 4.02Å; L129-I178 HydrophobicContact CD1-CD1 3.83Å; L161-I178 HydrophobicContact CB-CG2 4.28Å; L161-I178 PolarHBondContact N-O 3.03Å; L161-I178 WeakPolarHBondContact O-CG2 3.46Å; L161-I178 PolarHBondContact O-N 3.39Å; L163-I178 HydrophobicContact CD1-CG2 3.74Å; L163-I178 HydrophobicContact CG-CG2 3.97Å; I178-P180 WeakPolarHBondContact O-CD 3.46Å; I178-L190 HydrophobicContact CD1-CD2 3.79Å; I178-L190 HydrophobicContact CG1-CD2 4.2Å
179T97.1Very high93.7Very high64 Ų6459.9 Ų59.939%0.39337%0.366SS..  trans-113.898.9178.1-61.20000108.7P123 K159 N181P123-T179 WeakPolarHBondContact CB-O 3.42Å; K159-T179 WeakPolarHBondContact O-CA 3.4Å; T179-N181 PolarHBondContact O-N 3.39Å
180P96.7Very high93.9Very high0 Ų054.7 Ų54.70%034%0.338CS..  trans-55.2132.2176.8-25.535.2000111.5V153 H156 G158 K159 L161 I178 S189 L190V153-P180 HydrophobicContact CG1-CB 3.96Å; V153-P180 HydrophobicContact CG1-CG 4.05Å; H156-P180 HydrophobicContact CB-CG 4.22Å; G158-P180 PolarHBondContact N-O 3.3Å; K159-P180 VanDerWaalsContact O-CD 3.25Å; K159-P180 WeakPolarHBondContact O-CD 3.5Å; L161-P180 HydrophobicContact CB-CG 4.5Å; L161-P180 HydrophobicContact CD2-CG 4.46Å; I178-P180 WeakPolarHBondContact O-CD 3.46Å; P180-S189 CarbonylContact C-O 3.58Å; P180-S189 VanDerWaalsContact CA-O 3.31Å; P180-S189 WeakPolarHBondContact CA-O 3.45Å; P180-L190 HydrophobicContact CB-CD2 4.18Å; P180-L190 HydrophobicContact CG-CD2 4.04Å
181N97.2Very high94.2Very high61 Ų6152.2 Ų52.233%0.32632%0.318SS..  trans-152.1119.3179.917617.6000108.3P123 E157 T179 D183 W184 S189P123-N181 HydrophobicContact CG-CB 4.21Å; E157-N181 WeakPolarHBondContact OE1-CA 3.04Å; T179-N181 PolarHBondContact O-N 3.39Å; N181-D183 PolarHBondContact OD1-N 3.16Å; N181-W184 HydrophobicContact CB-CB 4.49Å; N181-S189 PolarHBondContact N-O 3.22Å; N181-S189 CarbonylContact O-C 3.43Å; N181-S189 WeakPolarHBondContact O-CA 3.42Å
182S96.1Very high94.6Very high59 Ų5949 Ų4941%0.41330%0.303SS..SBendtrans-85.9-26.9177.350.80000113E157 W184E157-S182 VanDerWaalsContact OE1-CB 3.32Å; E157-S182 WeakPolarHBondContact OE1-CB 3.34Å; E157-S182 PolarHBondContact OE1-N 3.1Å; E157-S182 PolarHBondContact OE1-OG 2.9Å; S182-W184 PolarHBondContact O-N 3.19Å
183D95.6Very high95.1Very high153 Ų15350.1 Ų50.182%0.81830%0.304SS*.THydrogen-bonded Turntrans-81.314.3175.8-73.1-42.4000113N181 G185N181-D183 PolarHBondContact OD1-N 3.16Å; D183-G185 PolarHBondContact O-N 3.04Å
184W95.8Very high95.3Very high56 Ų5651.1 Ų51.121%0.21231%0.307CS..THydrogen-bonded Turntrans-69.9-12.5-179.577.2-75.5000114.7E119 P123 N181 S182 G186 G188E119-W184 HydrophobicContact CB-CH2 3.53Å; E119-W184 HydrophobicContact CB-CZ2 4.45Å; E119-W184 HydrophobicContact CB-CZ3 4.22Å; E119-W184 HydrophobicContact CG-CH2 4Å; P123-W184 HydrophobicContact CG-CB 4.41Å; P123-W184 HydrophobicContact CG-CG 4.4Å; N181-W184 HydrophobicContact CB-CB 4.49Å; S182-W184 PolarHBondContact O-N 3.19Å; W184-G186 VanDerWaalsContact CE2-CA 3.5Å; W184-G188 PolarHBondContact NE1-O 3.21Å
185G94.4Very high95.4Very high80 Ų8048.8 Ų48.883%0.82530%0.3SS*.SBendtrans101.47.8176.300000116D183D183-G185 PolarHBondContact O-N 3.04Å
186G94.3Very high95.5Very high40 Ų4050 Ų5041%0.41231%0.305SS..SBendtrans-136.9-156.7174.700000113.3W184W184-G186 VanDerWaalsContact CE2-CA 3.5Å
187D94.1Very high95.1Very high112 Ų11250.6 Ų50.660%0.59931%0.312SS*.SBendtrans-88.2129.3-173.3-179.540.2000113.7K193D187-K193 IonicContact OD2-NZ 2.77Å; D187-K193 PolarHBondContact OD2-NZ 3.2Å
188G93.8Very high94.7Very high42 Ų4255.6 Ų55.643%0.43333%0.326SS..THydrogen-bonded Turntrans64.8167.1179.900000115.2W184 L190W184-G188 PolarHBondContact NE1-O 3.21Å; G188-L190 PolarHBondContact O-N 2.63Å; G188-L190 VanDerWaalsContact O-N 3.15Å
189S95.5Very high94.5Very high26 Ų2662.5 Ų62.518%0.18236%0.363CS..THydrogen-bonded Turntrans-70.9-5.2-177.7-57.80000115.7E157 P180 N181E157-S189 WeakPolarHBondContact OE2-CB 3.49Å; E157-S189 PolarHBondContact OE2-OG 3.45Å; P180-S189 CarbonylContact C-O 3.58Å; P180-S189 VanDerWaalsContact CA-O 3.31Å; P180-S189 WeakPolarHBondContact CA-O 3.45Å; N181-S189 PolarHBondContact N-O 3.22Å; N181-S189 CarbonylContact O-C 3.43Å; N181-S189 WeakPolarHBondContact O-CA 3.42Å
190L96.6Very high94.3Very high18 Ų1861.7 Ų61.79%0.09435%0.354CS..THydrogen-bonded Turntrans-116.4-24.7-179.3-60.7-173.7000114.1S122 A124 V153 I178 P180 G188 C192S122-L190 WeakPolarHBondContact CB-O 3.4Å; A124-L190 WeakPolarHBondContact CB-O 3.31Å; A124-L190 PolarHBondContact N-O 2.85Å; V153-L190 HydrophobicContact CG1-CD1 4.32Å; V153-L190 HydrophobicContact CG1-CD2 3.88Å; V153-L190 HydrophobicContact CG1-CG 3.92Å; V153-L190 HydrophobicContact CG2-CD1 4.02Å; V153-L190 HydrophobicContact CG2-CD2 4.3Å; V153-L190 HydrophobicContact CG2-CG 4.44Å; I178-L190 HydrophobicContact CD1-CD2 3.79Å; I178-L190 HydrophobicContact CG1-CD2 4.2Å; P180-L190 HydrophobicContact CB-CD2 4.18Å; P180-L190 HydrophobicContact CG-CD2 4.04Å; G188-L190 PolarHBondContact O-N 2.63Å; G188-L190 VanDerWaalsContact O-N 3.15Å; L190-C192 VanDerWaalsContact C-N 3.28Å; L190-C192 PolarHBondContact O-N 3.42Å
191G96.2Very high94Very high5 Ų565.7 Ų65.75%0.05237%0.369CS..SBendtrans60.132.4-170.400000115E119 S122E119-G191 WeakPolarHBondContact CB-O 3.42Å; E119-G191 PolarHBondContact N-O 3.08Å; S122-G191 PolarHBondContact OG-O 2.97Å
192C96.6Very high93.7Very high20 Ų2063.3 Ų63.314%0.13536%0.357CS..EExtended strand (participates in β ladder)trans-135.8151.5168.5640000111.5E117 V118 A124 L190E117-C192 CarbonylContact O-C 3.6Å; E117-C192 WeakPolarHBondContact O-CA 3.18Å; E117-C192 WeakPolarHBondContact O-CB 3.23Å; V118-C192 HydrophobicContact CB-CB 4.4Å; V118-C192 HydrophobicContact CG2-CB 3.92Å; A124-C192 HydrophobicContact CB-CB 3.66Å; L190-C192 VanDerWaalsContact C-N 3.28Å; L190-C192 PolarHBondContact O-N 3.42Å
193K95.9Very high93.1Very high96 Ų9664.1 Ų64.142%0.41736%0.361SS..EExtended strand (participates in β ladder)trans-88.1137.8172.2-56.3-56.5-178.81770109.5L116 E117 D187L116-K193 HydrophobicContact CB-CB 4.11Å; L116-K193 WeakPolarHBondContact CB-O 2.88Å; L116-K193 PolarHBondContact N-O 3.48Å; E117-K193 HydrophobicContact CB-CB 4.4Å; E117-K193 HydrophobicContact CB-CG 4.14Å; E117-K193 PolarHBondContact O-N 3.34Å; D187-K193 IonicContact OD2-NZ 2.77Å; D187-K193 PolarHBondContact OD2-NZ 3.2Å
194I95.3Very high92.1Very high40 Ų4060.4 Ų60.421%0.20534%0.343CS..EExtended strand (participates in β ladder)trans-118.3125.7-176.1-63.1-61.5000109.8W113 H114 V115 I136 F150W113-I194 HydrophobicContact CB-CG2 3.73Å; W113-I194 HydrophobicContact CG-CG2 4.28Å; H114-I194 WeakPolarHBondContact O-CA 3.14Å; V115-I194 HydrophobicContact CG2-CD1 4.43Å; I136-I194 HydrophobicContact CD1-CD1 4.2Å; F150-I194 HydrophobicContact CZ-CG2 4.25Å
195G94.4Very high90.6Very high4 Ų464.7 Ų64.74%0.04137%0.37CS..EExtended strand (participates in β ladder)trans-95.7140.3171.100000111.8H114 H200H114-G195 PolarHBondContact N-O 2.94Å; H114-G195 PolarHBondContact O-N 3.14Å; G195-H200 VanDerWaalsContact C-CG 3.49Å
196F91.5Very high88.7Confident81 Ų8169 Ų6936%0.35537%0.366SS..EExtended strand (participates in β ladder)trans-135.4158.7177.1-175.3-99.2000111.6Q110 V112 W113 H200Q110-F196 WeakPolarHBondContact O-CE2 3.43Å; Q110-F196 WeakPolarHBondContact O-CZ 3.25Å; V112-F196 VanDerWaalsContact O-CD2 3.25Å; V112-F196 WeakPolarHBondContact O-CD2 3.48Å; W113-F196 AromaticContact CD1-CD2 3.72Å; W113-F196 HydrophobicContact CD2-CD2 4.48Å; W113-F196 HydrophobicContact CG-CD2 4.16Å; W113-F196 AromaticContact NE1-CD2 3.82Å; F196-H200 PolarHBondContact O-CD2 2.95Å
197G88.6Confident86.4Confident18 Ų1875.2 Ų75.219%0.18638%0.384CS..SBendtrans89.1-163.5176.900000113.8L199 H200 R201G197-L199 PolarHBondContact O-N 3.18Å; G197-H200 CarbonylContact O-C 3.59Å; G197-H200 PolarHBondContact O-N 3.41Å; G197-R201 PolarHBondContact O-N 3.43Å
198Y87.4Confident84.1Confident190 Ų19078.7 Ų78.775%0.74540%0.397SS*.G310 helixtrans-58.1-40.4-161.5-175.2-101.3000115.1H200Y198-H200 VanDerWaalsContact C-N 3.26Å; Y198-H200 PolarHBondContact O-N 2.88Å
199L91.9Very high81.6Confident148 Ų14885.7 Ų85.778%0.77542%0.415SS*.G310 helixtrans-78.3-9.1-179.7-60.4177.9000113.8G197G197-L199 PolarHBondContact O-N 3.18Å
200H93.1Very high78.9Confident47 Ų4788.8 Ų88.822%0.21843%0.43CS..G310 helixtrans-115.518.7-175.1-66.3-68.9000112.4H114 Y135 G195 F196 G197 Y198H114-H200 HydrophobicContact CB-CB 3.69Å; H114-H200 AromaticContact CG-ND1 3.8Å; H114-H200 AromaticContact ND1-ND1 3.09Å; H114-H200 PolarHBondContact ND1-ND1 2.92Å; Y135-H200 WeakPolarHBondContact CE1-O 3.48Å; G195-H200 VanDerWaalsContact C-CG 3.49Å; F196-H200 PolarHBondContact O-CD2 2.95Å; G197-H200 CarbonylContact O-C 3.59Å; G197-H200 PolarHBondContact O-N 3.41Å; Y198-H200 VanDerWaalsContact C-N 3.26Å; Y198-H200 PolarHBondContact O-N 2.88Å
201R90.3Very high76.1Confident83 Ų8392.8 Ų92.831%0.31346%0.459SS..SBendtrans-81.8150.1171.5-64.9178.9179.7-167.4-2.7110.1N109 G197N109-R201 VanDerWaalsContact O-CD 3.27Å; N109-R201 WeakPolarHBondContact O-CD 3.49Å; N109-R201 PolarHBondContact O-NE 2.95Å; G197-R201 PolarHBondContact O-N 3.43Å
202I89.4Confident73.4Confident12 Ų12102.1 Ų102.16%0.06249%0.493CS..PPolyproline II helixtrans-54.4130.7172-74.6159.7000109.7F36 F37 V112 Y135 I137 Y166 T204F36-I202 HydrophobicContact CD1-CD1 3.67Å; F36-I202 HydrophobicContact CE1-CB 4.49Å; F36-I202 HydrophobicContact CE1-CD1 3.41Å; F36-I202 VanDerWaalsContact CE1-CD1 3.41Å; F36-I202 HydrophobicContact CG-CD1 4.35Å; F36-I202 HydrophobicContact CZ-CD1 3.87Å; F37-I202 HydrophobicContact CE1-CG2 4.01Å; F37-I202 HydrophobicContact CZ-CG2 3.92Å; V112-I202 HydrophobicContact CG1-CD1 3.98Å; V112-I202 HydrophobicContact CG1-CG1 4.08Å; Y135-I202 HydrophobicContact CD1-CG1 3.66Å; Y135-I202 HydrophobicContact CD2-CG1 3.99Å; Y135-I202 HydrophobicContact CE1-CG1 4.28Å; Y135-I202 HydrophobicContact CG-CD1 4.25Å; Y135-I202 HydrophobicContact CG-CG1 3.49Å; Y135-I202 VanDerWaalsContact CG-CG1 3.49Å; I137-I202 HydrophobicContact CG2-CD1 3.71Å; Y166-I202 HydrophobicContact CD1-CD1 3.5Å; Y166-I202 HydrophobicContact CD1-CG1 3.63Å; Y166-I202 HydrophobicContact CD1-CG2 4.06Å; Y166-I202 HydrophobicContact CE1-CB 4.42Å; Y166-I202 HydrophobicContact CE1-CD1 4.19Å; Y166-I202 HydrophobicContact CE1-CG1 3.99Å; Y166-I202 HydrophobicContact CE1-CG2 3.57Å; Y166-I202 HydrophobicContact CG-CD1 3.87Å; Y166-I202 HydrophobicContact CG-CG1 4.48Å; I202-T204 PolarHBondContact O-N 2.78Å
203P84.9Confident70.6Confident76 Ų76109.4 Ų109.449%0.49452%0.523SS..PPolyproline II helixtrans-55.6122.1179.7-28.235.6000112.3T168 L205T168-P203 HydrophobicContact CG2-CG 4.39Å; P203-L205 PolarHBondContact O-N 2.96Å
204T75.1Confident67.7Low74 Ų74110.6 Ų110.645%0.45454%0.54SS..  trans-90.5104.5170.540.60000108.9I202 K206I202-T204 PolarHBondContact O-N 2.78Å; T204-K206 PolarHBondContact O-N 2.59Å
205L64.4Low64.9Low147 Ų147113.8 Ų113.877%0.7757%0.566SS**  trans-64.382.2164.6-83.4168.2000109.1P203 E207P203-L205 PolarHBondContact O-N 2.96Å; L205-E207 PolarHBondContact O-N 3.15Å
206K53.3Low62.3Low170 Ų170120.9 Ų120.974%0.73960%0.598SS**  trans-61.9116.8158.2-71.7-176.9177.1179.50106.5T204 E208T204-K206 PolarHBondContact O-N 2.59Å; K206-E208 PolarHBondContact O-N 3.27Å
207E46.9Very low59.6Low170 Ų170124.6 Ų124.679%0.79462%0.621SS**  trans-51.4118.9161-69.8-171.4135.700107.6L205 K209L205-E207 PolarHBondContact O-N 3.15Å; E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.99Å
208E44.3Very low57.2Low185 Ų185130.9 Ų130.986%0.86465%0.646SS**  trans-61.1101.4161.1-69-166.7165.800106.2K206 N210K206-E208 PolarHBondContact O-N 3.27Å; E208-N210 PolarHBondContact O-N 3.24Å
209K41.7Very low54.8Low190 Ų190131.7 Ų131.783%0.82665%0.653SS**  trans-64.382.3168.7-92.3-174.5175.5172.90107.8E207 S211E207-K209 VanDerWaalsContact C-N 3.27Å; E207-K209 PolarHBondContact O-N 2.99Å; K209-S211 PolarHBondContact O-N 2.82Å
210N38.3Very low52Low91 Ų91129.5 Ų129.549%0.48766%0.657SS.*  trans-35.295.7-172.2163.491000110.5E208 R212E208-N210 PolarHBondContact O-N 3.24Å; N210-R212 VanDerWaalsContact CG-NE 3.35Å; N210-R212 WeakPolarHBondContact ND2-CD 3.48Å; N210-R212 WeakPolarHBondContact ND2-CG 3.2Å; N210-R212 PolarHBondContact ND2-NE 3.31Å; N210-R212 VanDerWaalsContact ND2-NE 3.16Å; N210-R212 PolarHBondContact O-N 3.06Å; N210-R212 VanDerWaalsContact OD1-CZ 3.29Å; N210-R212 PolarHBondContact OD1-NE 3.38Å; N210-R212 PolarHBondContact OD1-NH2 3.05Å; N210-R212 VanDerWaalsContact OD1-NH2 3.1Å
211S38.7Very low49Very low102 Ų102131.9 Ų131.971%0.71368%0.678SS**  trans-77.247.1177.5460000110.7K209 F213K209-S211 PolarHBondContact O-N 2.82Å; S211-F213 WeakPolarHBondContact O-CD2 3.32Å; S211-F213 PolarHBondContact O-N 3.37Å
212R38.9Very low46.3Very low200 Ų200136.2 Ų136.276%0.75570%0.702SS**  trans-59.896.4151.2-75.3177.2-135.4172.78106.2N210N210-R212 VanDerWaalsContact CG-NE 3.35Å; N210-R212 WeakPolarHBondContact ND2-CD 3.48Å; N210-R212 WeakPolarHBondContact ND2-CG 3.2Å; N210-R212 PolarHBondContact ND2-NE 3.31Å; N210-R212 VanDerWaalsContact ND2-NE 3.16Å; N210-R212 PolarHBondContact O-N 3.06Å; N210-R212 VanDerWaalsContact OD1-CZ 3.29Å; N210-R212 PolarHBondContact OD1-NE 3.38Å; N210-R212 PolarHBondContact OD1-NH2 3.05Å; N210-R212 VanDerWaalsContact OD1-NH2 3.1Å
213F38Very low43.7Very low174 Ų174143 Ų14376%0.76374%0.736SS**  trans-38.6130.7154.3-64.7-94.1000107.8S211 S215S211-F213 WeakPolarHBondContact O-CD2 3.32Å; S211-F213 PolarHBondContact O-N 3.37Å; F213-S215 PolarHBondContact O-N 2.81Å
214P36.4Very low41.8Very low121 Ų121144.2 Ų144.279%0.78675%0.745SS**  trans-70.584.2-178.127.8-34000109.8Q216P214-Q216 VanDerWaalsContact C-N 3.3Å; P214-Q216 PolarHBondContact O-N 2.88Å
215S35Very low39.8Very low106 Ų106149 Ų14974%0.74176%0.759SS**  trans-62.592.6171.4-640000108.7F213 N217F213-S215 PolarHBondContact O-N 2.81Å; S215-N217 PolarHBondContact O-N 2.81Å
216Q39.8Very low38.3Very low154 Ų154149.2 Ų149.272%0.7276%0.761SS**  trans-73.790.6-167.1-148.5-177.2-28.700110.4P214 H218P214-Q216 VanDerWaalsContact C-N 3.3Å; P214-Q216 PolarHBondContact O-N 2.88Å; Q216-H218 VanDerWaalsContact C-N 3.33Å; Q216-H218 PolarHBondContact NE2-CD2 3.5Å; Q216-H218 VanDerWaalsContact NE2-CD2 3.33Å; Q216-H218 PolarHBondContact NE2-NE2 3.18Å; Q216-H218 PolarHBondContact O-N 2.87Å
217N34.9Very low37.4Very low158 Ų158143.6 Ų143.685%0.84575%0.751SS**  trans-6984179.9-103.3-28000111.4S215S215-N217 PolarHBondContact O-N 2.81Å
218H39.2Very low36.9Very low150 Ų150146.4 Ų146.469%0.69476%0.756SS**  trans-111109.9166.5-70.2-65.4000110.5Q216Q216-H218 VanDerWaalsContact C-N 3.33Å; Q216-H218 PolarHBondContact NE2-CD2 3.5Å; Q216-H218 VanDerWaalsContact NE2-CD2 3.33Å; Q216-H218 PolarHBondContact NE2-NE2 3.18Å; Q216-H218 PolarHBondContact O-N 2.87Å
219K36.4Very low36.8Very low207 Ų207143.1 Ų143.190%0.975%0.749SS**  trans-103.2107.3166.9-79.7-172.2175.2-177.40110.1
220A32.3Very low36.8Very low103 Ų103141 Ų14185%0.85174%0.742SS**  trans-157.6133.7155.500000111.2
221S31.4Very low36.7Very low96 Ų96143 Ų14367%0.67176%0.757SS**  trans-48.8137.9-179.9-177.20000115.7
222H34.2Very low36.7Very low175 Ų175145.4 Ų145.481%0.8176%0.757SS**  -176.8169.8105.4-101-79.9000113.2
223I33.3Very low36.9Very low153 Ų153144.3 Ų144.379%0.78577%0.765SS**  trans-141.1155.7-168.1-74.4172.3000106.7
224P46.1Very low36.8Very low103 Ų103141.7 Ų141.767%0.66977%0.769SS**  cis-131.7-166925.30.7000115.6
225K33.1Very low36.8Very low174 Ų174140.8 Ų140.876%0.75777%0.771SS**  trans82.6140.4157.6-59.4-165-178.8-172.80117.7
226D33.2Very low36.7Very low151 Ų151142.3 Ų142.381%0.80778%0.776SS**  cis-142.1155.7-20.8-72.5-45000103.5
227G32.9Very low36.7Very low52 Ų52142.6 Ų142.654%0.53678%0.781SS.*  cis155152.518.800000106.2
228Y36.2Very low37Very low230 Ų230140.2 Ų140.290%0.90277%0.774SS**  trans68.1142.2-178.7-42.7-71.8000116.5
229T43Very low36.8Very low116 Ų116139.2 Ų139.271%0.71278%0.778SS**  cis-152.2139.7-23.4-76.90000107.1V231T229-V231 HydrophobicContact CG2-CG2 4.5Å
230E41.6Very low36.9Very low146 Ų146134.9 Ų134.968%0.68277%0.769SS**  trans-86.2138.9175.8-173.8-178.7179.300111.7Q232E230-Q232 HydrophobicContact CG-CG 4.43Å; E230-Q232 PolarHBondContact OE1-NE2 2.66Å
231V36.4Very low37.3Very low132 Ų132135.8 Ų135.880%0.877%0.766SS**  trans-139.7111.8166.8-173.50000109.2T229T229-V231 HydrophobicContact CG2-CG2 4.5Å
232Q38.2Very low37.4Very low152 Ų152136.6 Ų136.671%0.7177%0.767SS**  trans-89159.4171.9-62-171.519.300111.3E230E230-Q232 HydrophobicContact CG-CG 4.43Å; E230-Q232 PolarHBondContact OE1-NE2 2.66Å
233L42.9Very low37.4Very low178 Ų178134.4 Ų134.493%0.93277%0.766SS**  trans-69.4147.9-179-75.572.7000112.1
234S35.6Very low37.4Very low119 Ų119133 Ų13383%0.83276%0.764SS**  trans-132.7140.1157.258.90000109.8
235A38.1Very low36.8Very low101 Ų101133.5 Ų133.584%0.83577%0.769SS**  trans-99.6147.5-173.500000112
236V32.2Very low36.8Very low139 Ų139130.6 Ų130.684%0.84277%0.771SS**  trans-138.1129.3169.9-179.70000111
237I39.3Very low36.9Very low160 Ų160129.3 Ų129.382%0.82177%0.774SS**  trans-139134.8164.1-44169.9000101.7
238P42.4Very low37Very low108 Ų108131.3 Ų131.370%0.70179%0.785SS**  -154.2-171.352.436.7-12.1000118.1
239T33.4Very low37.5Very low129 Ų129125.5 Ų125.579%0.79178%0.776SS**  trans117.4144.1142.9-40.20000117.1
240V39.5Very low37Very low115 Ų115126.5 Ų126.570%0.69778%0.782SS**  trans-109.8159-174-1560000110.4
241P39.7Very low36.4Very low123 Ų123123.4 Ų123.480%0.79979%0.79SS**  -150110.5122.533.8-14.8000117.1
242V33.7Very low36.6Very low113 Ų113124.6 Ų124.669%0.68579%0.791SS**  41.4103.5111.6172.60000120.8
243V35.5Very low36.4Very low129 Ų129126.1 Ų126.178%0.78280%0.798SS**  trans60.6162.3143-48.20000121.9
244V33.2Very low36.1Very low123 Ų123125.7 Ų125.775%0.74579%0.791SS**  cis-146.4165.95.8-145.10000112.4
245S31.8Very low36.6Very low113 Ų113125 Ų12579%0.7978%0.783SS**  trans83.8150.7147.6-64.50000120.7
246S33.8Very low36.4Very low113 Ų113127.6 Ų127.679%0.7978%0.782SS**  cis-178.4124.7-24.2178.40000110.4
247S34.8Very low36.4Very low124 Ų124125.5 Ų125.587%0.86777%0.774SS**  trans-171.1150.7153.454.90000112.4
248A34.7Very low35.9Very low94 Ų94123.2 Ų123.278%0.77777%0.773SS**  trans-126.9-169.8-178.400000108.7
249P48.2Very low35.4Very low108 Ų108126.3 Ų126.370%0.70178%0.782SS**  cis-144.3176.5644.6-25.3000118.1
250T31.9Very low35.2Very low137 Ų137125.7 Ų125.784%0.8478%0.783SS**  trans31137.5144.957.50000123.2
251G29.5Very low34.8Very low82 Ų82127.2 Ų127.285%0.84579%0.792SS**  trans165.4101.1148.100000114.6
252L39.7Very low34.3Very low157 Ų157126.1 Ų126.182%0.82279%0.788SS**  trans-150.5114.4171.8-159.8179.7000109.2
253E34.8Very low34.3Very low183 Ų183125.4 Ų125.486%0.85579%0.788SS**  trans-144.1161.2171.6-85.3-72.472.600109.8
254Q37.1Very low34.2Very low170 Ų170128.6 Ų128.679%0.79479%0.794SS**  trans-99.8-161.2178-54.3-174.7-17.500109.5
255P45.5Very low34.8Very low103 Ų103127.9 Ų127.967%0.66979%0.792SS**  cis-142.8-176.2-7.543.9-25.1000116.9
256L34.7Very low34.6Very low156 Ų156129.5 Ų129.582%0.81780%0.797SS**  trans66.6130.4146.1-78.7171000124.1
257S30.6Very low34.3Very low96 Ų96128.5 Ų128.567%0.67180%0.796SS**  trans92.7129.9130.4-72.60000123.4
258S29.8Very low34.2Very low112 Ų112129.7 Ų129.778%0.78380%0.798SS**  trans59.9124.4151.162.90000120.7
259L31.1Very low34.1Very low172 Ų172132.9 Ų132.990%0.90180%0.801SS**  -162.9135.9118.1-103.9172.5000110.1
260S30.5Very low33.2Very low116 Ų116133.1 Ų133.181%0.81180%0.8SS**  trans-110.3137.3175.3-560000110.3
261V30.4Very low33.1Very low147 Ų147134 Ų13489%0.89180%0.8SS**  trans-139.3153164.3-175.50000109
262S30Very low33.1Very low101 Ų101135.8 Ų135.871%0.70679%0.794SS**  trans-120175-167.9176.30000112.2
263S32.9Very low33.3Very low98 Ų98133.5 Ų133.569%0.68579%0.789SS**  trans90.399.6148.1-50.40000119.1
264E32.2Very low33.2Very low195 Ų195131.9 Ų131.991%0.91179%0.792SS**  45.5157.1120.8-78.4-1609800123.8
265P46.7Very low32.9Very low108 Ų108127.3 Ų127.370%0.70179%0.79SS**  trans-100.4172.6-155.539.5-37.1000115.7
266T28.1Very low32.3Very low147 Ų147132.4 Ų132.490%0.90280%0.802SS**  trans-147.1152.4165.1-73.50000111.7
267A28.1Very low32.7Very low92 Ų92130 Ų13076%0.7680%0.796SS**  trans-70.6168.8-166.100000116.6
268V32.8Very low32.8Very low149 Ų149132.1 Ų132.190%0.90380%0.798SS**  trans-122.2153.6159.6-178.20000109
269L31.7Very low33.3Very low161 Ų161134.1 Ų134.184%0.84380%0.798SS**  trans-86.1163.3-157.7-158.666.6000115.4
270V29.3Very low34Very low114 Ų114131.1 Ų131.169%0.69179%0.789SS**  trans-89.7141.3176.5172.70000112.2T272V270-T272 HydrophobicContact CG1-CG2 4.32Å
271N30Very low34.8Very low156 Ų156131.3 Ų131.383%0.83479%0.788SS**  trans-128.5123.9160.9-89.191.9000111.4
272T29Very low35.7Very low119 Ų119130.5 Ų130.573%0.7379%0.785SS**  trans-117.4-179.1167.443.30000107.9V270V270-T272 HydrophobicContact CG1-CG2 4.32Å
273P43.6Very low35.8Very low109 Ų109134.8 Ų134.871%0.70879%0.792SS**  cis-139.71719.643.6-26.6000117.2
274T33.2Very low35.8Very low149 Ų149137.4 Ų137.491%0.91480%0.798SS**  -177.9152.5128.316.30000111.9
275G31.4Very low36Very low74 Ų74133.7 Ų133.776%0.76379%0.788SS**  trans98.6115162.700000117.4
276F32.2Very low35.7Very low210 Ų210136 Ų13692%0.92179%0.793SS**  trans-131.2173.3166.9-86.5-70.4000107.4
277P42.7Very low36.2Very low105 Ų105134.6 Ų134.668%0.68279%0.786SS**  cis-134.3-163.8-1.921.85.1000114.3
278I33.6Very low36.3Very low141 Ų141139 Ų13972%0.72379%0.788SS**  trans116.3114.7143.3-59.6-175.3000118.4
279I40Very low36.3Very low153 Ų153140.6 Ų140.679%0.78579%0.786SS**  trans68.2121.9157-67.7164000120.8
280P45.2Very low36.2Very low109 Ų109138.4 Ų138.471%0.70878%0.779SS**  trans-104.3164159.839.5-32000113.5
281P47.5Very low36.5Very low121 Ų121140.4 Ų140.479%0.78679%0.785SS**PPolyproline II helixtrans-81.6151.7170.433.8-34.6000112.9
282P49Very low37.1Very low129 Ų129137.8 Ų137.884%0.83878%0.777SS**PPolyproline II helixtrans-85.4159.2-176.634.4-36.2000114.5
283K32.6Very low37.1Very low192 Ų192138.4 Ų138.484%0.83578%0.78SS**PPolyproline II helixtrans-101.7170.4155.2-67.1178.5178.7176.90109.1
284D34.1Very low36.4Very low153 Ų153138.8 Ų138.882%0.81878%0.781SS**  trans121.7153.3162.5-68.6-5.6000112.8
285V34.9Very low36.4Very low116 Ų116137.1 Ų137.170%0.70377%0.77SS**  cis-159.5157.3-20.4131.80000105.9
286I40.3Very low36.3Very low158 Ų158141 Ų14181%0.8177%0.773SS**  trans-96.4129.7176.7-60.2166.3000111.7
287P39.7Very low36.2Very low117 Ų117134.8 Ų134.876%0.7677%0.768SS**  trans-112.2157.3157.219.8-0.7000113.3
288K29.8Very low35.5Very low183 Ų183134.8 Ų134.880%0.79678%0.777SS**  trans-115.8147.7175.1-63.9176.3177.3177.40111.3
289Q31.8Very low35.5Very low183 Ų183132.6 Ų132.686%0.85578%0.78SS**  176.9126.2128.9-93.9152.881.600110.5
290T29.9Very low35.2Very low115 Ų115131.9 Ų131.971%0.70678%0.783SS**  57.7113.783-3.60000113.9
291L35.8Very low34.8Very low157 Ų157135.1 Ų135.182%0.82279%0.789SS**  177.5-172.174.4-87.9164.1000109.1
292P42.6Very low34.5Very low100 Ų100135.7 Ų135.765%0.64979%0.793SS**  -138.7-170.8-7142.6-23.3000115.8
293V30.1Very low33.6Very low132 Ų132133.2 Ų133.280%0.879%0.79SS**  trans73.4147.1145.8147.80000119.7
294T28.1Very low33.8Very low118 Ų118132.1 Ų132.172%0.72479%0.793SS**  cis-177150.4-24.1-115.30000114.2
295V32.3Very low34.4Very low114 Ų114132.8 Ų132.869%0.69180%0.795SS**  trans76.6129.9152.9154.50000125.7
296N30.5Very low34.9Very low155 Ų155132.7 Ų132.783%0.82980%0.796SS**  trans16.4150.7146.8-41.4-12.8000125.2
297G29Very low34.8Very low79 Ų79132.9 Ų132.981%0.81480%0.798SS**  trans-175.4140.1151.400000112.9
298A29.7Very low34.4Very low106 Ų106133 Ų13388%0.87680%0.801SS**  trans-151.6176.1-179.100000112.8
299A32.4Very low34.4Very low95 Ų95127.9 Ų127.979%0.78580%0.801SS**  trans77.2155.2-168.900000114
300T33.5Very low34.4Very low137 Ų137124.3 Ų124.384%0.8480%0.803SS**  cis-149154.922.3-34.20000112.5
301Q37.7Very low35Very low178 Ų178126.5 Ų126.583%0.83281%0.808SS**  trans-80.2169.7161-61.6-175.3-63.600111.1
302P40.8Very low35.2Very low133 Ų133125 Ų12586%0.86481%0.808SS**  -151.616994.239.6-23000116
303G30.8Very low34.7Very low76 Ų76124.9 Ų124.978%0.78482%0.816SS**  trans125.2120.3152.800000117.3
304L35.1Very low35.2Very low170 Ų170128.7 Ų128.789%0.8982%0.822SS**  trans-125.8160.1168.9-76.3164.5000109.3
305I47.3Very low36.3Very low167 Ų167128.2 Ų128.286%0.85682%0.821SS**  trans160.4172.3138.569.4168.8000109.4
306P46.1Very low36.3Very low114 Ų114130.6 Ų130.674%0.7483%0.83SS**  -136.3169.7-107.532.2-6.6000118.5
307L38.2Very low36.7Very low162 Ų162131.1 Ų131.185%0.84883%0.832SS**  trans15.9124.7146.7-166.878000120.7
308S31.7Very low37.7Very low118 Ų118133.4 Ų133.483%0.82583%0.832SS**  -179.7131.5128.1-83.40000115.6
309G29.9Very low37.9Very low77 Ų77135.5 Ų135.579%0.79483%0.829SS**  92.2130.6121.900000122.5
310A30.7Very low38.1Very low108 Ų108138.5 Ų138.589%0.89383%0.831SS**  trans86.6144.214600000121.6
311I42.1Very low38Very low160 Ų160138.9 Ų138.982%0.82183%0.828SS**  trans-124.9141.1-179.2-63.1159.4000107.9
312P41.4Very low37.9Very low125 Ų125134.5 Ų134.581%0.81282%0.822SS**  trans-94.7146.8160.435-29.6000112
313A31.6Very low37.4Very low99 Ų99132.8 Ų132.882%0.81882%0.819SS**  trans-104.2164.9-168.700000115.3
314F40.8Very low37.6Very low211 Ų211136.3 Ų136.393%0.92582%0.819SS**  trans-72.9158173.2-64.6-90.4000113.7
315P50.3Low38.1Very low108 Ų108133.8 Ų133.870%0.70181%0.813SS**  trans-110.9129.9163.635.6-26.2000115.1
316N33.8Very low37.3Very low165 Ų165133.3 Ų133.388%0.88281%0.807SS**  trans72.4140.3149.6-61.5-28.9000123
317L38.8Very low36.7Very low166 Ų166133.3 Ų133.387%0.86981%0.805SS**  trans-114.9159.3170.3-66.1168.7000109.7
318P48.9Very low36.3Very low126 Ų126128.5 Ų128.582%0.81879%0.794SS**  -147.3174.998.136-19.4000114.1
319N33.7Very low36.5Very low151 Ų151130.6 Ų130.681%0.80779%0.79SS**  cis-172.9-176-30.4-169.910000107.3
320L37Very low36.6Very low158 Ų158133.7 Ų133.783%0.82779%0.794SS**  trans81.8146.8-178.8-60.5169.2000116.2
321N32.1Very low36.9Very low145 Ų145136 Ų13678%0.77579%0.79SS**  -179.6155.4-56.7173.644.8000108.4
322A34.3Very low37.2Very low85 Ų85133.9 Ų133.970%0.70279%0.787SS**  trans70.3145.6174.300000117.3
323A29.7Very low37.6Very low98 Ų98133.7 Ų133.781%0.8179%0.785SS**  cis-160.3155.9-20.900000110.6
324L35.6Very low37.6Very low149 Ų149132.5 Ų132.578%0.7878%0.783SS**  trans-105.6159.9173.9-99.2169.8000110.8
325P45.3Very low37Very low117 Ų117131.3 Ų131.376%0.7679%0.785SS**  -132.9158.582.234.4-20.3000113.6
326E32.1Very low36Very low158 Ų158128.8 Ų128.874%0.73878%0.779SS**  cis110.5146.216.5-156-166.4142.600113.7
327V31.8Very low35.9Very low114 Ų114127.1 Ų127.169%0.69178%0.775SS**  trans74.4140.1177.4-164.40000114.4
328G31.4Very low35.6Very low60 Ų60126.6 Ų126.662%0.61977%0.768SS**  cis137.5150.1-0.700000111.4
329H34Very low35Very low163 Ų163127.3 Ų127.376%0.75576%0.76SS**  cis-157.4142-1-70.4-85.5000111.8
330V33.9Very low34.9Very low142 Ų142127.1 Ų127.186%0.86176%0.759SS**  trans51.2142.9142.3-166.80000121.8
331L35.6Very low34.6Very low155 Ų155123.9 Ų123.981%0.81276%0.755SS**  trans-64.9-174.9170.6-70.1165000113
332P49.5Very low34.9Very low117 Ų117124.9 Ų124.976%0.7676%0.76SS**  cis-136.9-119.916.230.7-0.5000116.1
333P50.1Low35.8Very low120 Ų120126.3 Ų126.378%0.77976%0.762SS**  -135.8163.2-120.442.9-23.1000119.2
334G30.3Very low36.9Very low74 Ų74126.8 Ų126.876%0.76376%0.756SS**  107.6141.812800000121.6
335L29.6Very low36.8Very low186 Ų186127.5 Ų127.597%0.97476%0.76SS**  trans78.3120.3147.6-156.475.1000121.5
336G28.1Very low36.2Very low56 Ų56129.1 Ų129.158%0.57776%0.763SS**  trans121.3118.813800000119.2
337T31.1Very low36.4Very low129 Ų129128.4 Ų128.479%0.79176%0.763SS**  trans46.2140.5131.253.40000121.1
338Q34.1Very low36.9Very low155 Ų155128.9 Ų128.972%0.72477%0.769SS**  cis-171.9173.12.4-131.3173.5-19.600110.4
339H34.7Very low37Very low142 Ų142130.4 Ų130.466%0.65778%0.775SS**  trans64.5111.2150.6-78-64.6000123.3
340D31.9Very low37Very low146 Ų146126.8 Ų126.878%0.78177%0.773SS**  87.3157.3121.4-92.9-67.5000126.2
341A30.4Very low36.9Very low91 Ų91126.2 Ų126.275%0.75277%0.77SS**  trans80.2112.7163.200000121.9
342L38.7Very low36.6Very low166 Ų166124.1 Ų124.187%0.86977%0.768SS**  trans-87.7-173.2150.2-58.6168.7000108.9
343P53.1Low35.8Very low115 Ų115124.4 Ų124.475%0.74777%0.773SS**  cis-133.1-143.3-2.345.5-25.5000110.5
344P54.6Low34.9Very low107 Ų107125.2 Ų125.270%0.69578%0.775SS**  cis-133.3175.2-19.339.4-21.1000117.1
345L32.1Very low35.3Very low164 Ų164127.8 Ų127.886%0.85978%0.777SS**  trans1.4143.6153-86.664.7000121.7
346N32.8Very low35.9Very low152 Ų152124.4 Ų124.481%0.81377%0.766SS**  -157.1161.2102.4-144.6-2.9000114.9
347L37.2Very low36.2Very low142 Ų142126.7 Ų126.774%0.74377%0.773SS**  trans-119.9167.6170.7-119.586.2000110.3
348P42.7Very low36.2Very low125 Ų125127.3 Ų127.381%0.81277%0.772SS**  -147.4166.9107.937.5-21.6000115.8
349A32.1Very low36.3Very low91 Ų91130.1 Ų130.175%0.75278%0.782SS**  trans-101.8-178.4169.500000110.6
350A35Very low36.3Very low87 Ų87129.2 Ų129.272%0.71978%0.781SS**  cis-143.7-135.16.600000110.3
351V31.9Very low36.4Very low130 Ų130132.2 Ų132.279%0.78878%0.782SS**  cis-155.9153.111.7-1370000111.9
352S29.6Very low37.1Very low111 Ų111133.2 Ų133.278%0.77678%0.781SS**  trans31.9125.1149-57.60000124.1
353S31.5Very low37.2Very low124 Ų124130.8 Ų130.887%0.86778%0.776SS**  -157.9169.2121.252.10000111.2
354V32.5Very low36.2Very low136 Ų136131.7 Ų131.782%0.82478%0.778SS**  trans-143.9140.3-162176.50000112.7
355T37.8Very low35.1Very low129 Ų129131.1 Ų131.179%0.79178%0.783SS**  trans168.1170.3156.222.10000108.7
356P42Very low35Very low114 Ų114129 Ų12974%0.7478%0.777SS**  cis-115.3144.6-2.341.1-28.4000113.4
357S35Very low35Very low105 Ų105128.9 Ų128.973%0.73478%0.776SS**  78.7108.887.7-48.40000116.9
358D30.9Very low34.7Very low142 Ų142126.9 Ų126.976%0.75977%0.774SS**  trans-76.1152.6169.4-54.8-88.7000114
359F36.6Very low34.3Very low214 Ų214129.7 Ų129.794%0.93978%0.775SS**  trans-151140153.7-100.1-77.5000110.4
360I33.9Very low34.1Very low123 Ų123131.4 Ų131.463%0.63178%0.777SS**  trans-143.1136.3-166.2-79-177.7000112.7
361Y34.1Very low34Very low208 Ų208132.9 Ų132.982%0.81678%0.777SS**  trans64.9161.3166.3-67.4-37.5000119.3
362P46Very low33.8Very low113 Ų113134 Ų13473%0.73478%0.777SS**  cis-119.7168.93.539.8-26.3000115.8
363P40.5Very low34Very low115 Ų115138.1 Ų138.175%0.74778%0.777SS**  trans-82151.3176.133.7-35.6000113.4
364V32.1Very low34Very low133 Ų133137.9 Ų137.981%0.80677%0.773SS**  trans-114.1123.2167.4176.50000108.8
365A31.8Very low33.8Very low95 Ų95136.6 Ų136.679%0.78577%0.77SS**  trans-85.3135.8174.600000110.9
366V30.2Very low33.4Very low121 Ų121136.2 Ų136.273%0.73377%0.772SS**  trans-126.2114.3169.61790000108.1S368V366-S368 PolarHBondContact O-N 3.45Å
367N30.8Very low32.9Very low149 Ų149136.3 Ų136.380%0.79777%0.771SS**  trans-75.8120.7171.7-77.2-2.6000109.7
368S32.2Very low33Very low100 Ų100139 Ų13970%0.69978%0.775SS**  trans-122.3119.3161.850.40000109.2V366 T370V366-S368 PolarHBondContact O-N 3.45Å; S368-T370 PolarHBondContact O-N 3.18Å
369H33Very low33.1Very low183 Ų183140 Ų14085%0.84778%0.775SS**  trans-78.7107.3176.5-72.7-84.1000109.8
370T29.7Very low32.9Very low127 Ų127137.2 Ų137.278%0.77977%0.767SS**PPolyproline II helixtrans-85.5117.9170.2270000111.1S368 I372S368-T370 PolarHBondContact O-N 3.18Å; T370-I372 PolarHBondContact O-N 3.38Å
371T31.3Very low32.7Very low118 Ų118139 Ų13972%0.72478%0.778SS**PPolyproline II helixtrans-68.9122.5170.4-54.50000109.8Y373T371-Y373 HydrophobicContact CG2-CD2 4.3Å; T371-Y373 HydrophobicContact CG2-CE2 3.97Å; T371-Y373 PolarHBondContact O-N 3.34Å
372I29.5Very low32.7Very low154 Ų154135 Ų13579%0.7978%0.78SS**PPolyproline II helixtrans-80.3120.1-179.1-59.6172.9000110.1T370T370-I372 PolarHBondContact O-N 3.38Å
373Y32.5Very low32Very low198 Ų198135 Ų13578%0.77678%0.783SS**  trans-119.9139.4155.3-77.1-82.2000108.4T371 S375T371-Y373 HydrophobicContact CG2-CD2 4.3Å; T371-Y373 HydrophobicContact CG2-CE2 3.97Å; T371-Y373 PolarHBondContact O-N 3.34Å; Y373-S375 PolarHBondContact O-N 3.01Å
374P32.7Very low31.7Very low119 Ų119137.8 Ų137.877%0.77379%0.791SS**  trans-79.8104.7-173.930.5-33.9000112
375S28.3Very low31.6Very low109 Ų109138.6 Ų138.676%0.76280%0.796SS**  trans-78.8129.3158-66.40000109.6Y373 T377Y373-S375 PolarHBondContact O-N 3.01Å; S375-T377 VanDerWaalsContact C-N 3.25Å; S375-T377 PolarHBondContact O-N 2.8Å
376S28.7Very low31.5Very low121 Ų121143.2 Ų143.285%0.84680%0.798SS**  trans-77.666.1-178.1-59.50000113I378S376-I378 PolarHBondContact O-N 3.26Å
377T32Very low31.4Very low116 Ų116141.6 Ų141.671%0.71280%0.797SS**  trans-72107169.4-56.50000109.4S375 H379S375-T377 VanDerWaalsContact C-N 3.25Å; S375-T377 PolarHBondContact O-N 2.8Å; T377-H379 PolarHBondContact O-N 3.22Å
378I37Very low31.9Very low160 Ų160139.8 Ų139.882%0.82179%0.794SS**  trans-77.2110.5171-61.5179.8000108.1S376S376-I378 PolarHBondContact O-N 3.26Å
379H31.8Very low31.8Very low163 Ų163142.1 Ų142.176%0.75580%0.799SS**  trans-102.3119.7176.2-155-79.6000108.3T377T377-H379 PolarHBondContact O-N 3.22Å
380M33Very low31.7Very low157 Ų157142.2 Ų142.277%0.77380%0.799SS**  trans-71.9143.5178.5-75.3-141.1-174.500111.3
381N29Very low31.6Very low161 Ų161141.1 Ų141.186%0.86180%0.797SS**  trans-136124174.9-136.917.1000107.1
382S35.6Very low31.8Very low124 Ų124141.3 Ų141.387%0.86780%0.802SS**  trans-91.2129.3-168.851.60000112.9
383S30.2Very low31.9Very low112 Ų112140.3 Ų140.378%0.78380%0.803SS**  trans-153.6130.1169.156.50000111.8
384L35.3Very low31.9Very low174 Ų174136.8 Ų136.891%0.91181%0.805SS**  trans-77135.1-176.4-90.165000113.4
385T30.1Very low31.9Very low150 Ų150138.6 Ų138.692%0.9281%0.808SS**  trans-144.5160.5148.3-17.20000110.4
386K28.1Very low32.3Very low192 Ų192136.5 Ų136.584%0.83579%0.793SS**  trans-133.7128.2-156.3174.8178.1175.6178.80114.8
387A28.6Very low32.4Very low86 Ų86132.6 Ų132.671%0.71177%0.772SS**  trans68166.8158.300000118.2
388P41.7Very low32.5Very low112 Ų112129.5 Ų129.573%0.72776%0.758SS**  cis-128.7163.2-12.329.4-9.2000116.4
389N29.6Very low32.6Very low149 Ų149126.6 Ų126.680%0.79774%0.743SS**  trans27.6132.4149.4-57.9-4.2000122.1
390H30.3Very low32.8Very low185 Ų185123.2 Ų123.286%0.85673%0.731SS**  -162.3147.8124.5-116.8-80.8000115
391S28.7Very low33.2Very low104 Ų104121.8 Ų121.873%0.72772%0.721SS**  trans47.6118.7160.552.70000121.4
392S34.1Very low33.3Very low121 Ų121118.5 Ų118.585%0.84671%0.706SS**  trans-86.7145.1167.649.20000113.6
393V33Very low33Very low133 Ų133116.5 Ų116.581%0.80669%0.689SS**  trans-134.9139.5168.5177.70000106.7
394P33.1Very low32.8Very low125 Ų125117.3 Ų117.381%0.81269%0.689SS**  trans-68.8147.4-164.624.8-34.9000114.7
395N31.2Very low32.9Very low156 Ų156114.4 Ų114.483%0.83468%0.678SS**  trans-71.4136.3-174.6-168.36.8000112.5
396S36.3Very low32.8Very low66 Ų66114.5 Ų114.546%0.46267%0.673SS.*  trans-124.585.8173.6164.90000107.1R144R144-S396 PolarHBondContact NH2-O 3.01Å; R144-S396 PolarHBondContact NH2-OG 2.72Å
397G32.2Very low33Very low39 Ų39110.1 Ų110.140%0.40267%0.667SS.*  trans-84.7168.2-175.500000113.5
398A34.3Very low33.2Very low50 Ų50115.4 Ų115.441%0.41370%0.698SS.*  trans-67.9149.3171.100000110.6D140 A142D140-A398 WeakPolarHBondContact O-CB 3.4Å; A142-A398 HydrophobicContact CB-CB 3.9Å
399I39.2Very low32.8Very low99 Ų99115.6 Ų115.651%0.50870%0.697SS.*  trans-111.3101.8-169-73.1173000110.4F401I399-F401 HydrophobicContact CB-CD2 4.44Å; I399-F401 HydrophobicContact CB-CE2 4.35Å; I399-F401 HydrophobicContact CD1-CE2 4.05Å; I399-F401 HydrophobicContact CG1-CE2 4.03Å; I399-F401 HydrophobicContact CG1-CZ 4.22Å; I399-F401 HydrophobicContact CG2-CB 4.2Å; I399-F401 HydrophobicContact CG2-CD1 4.31Å; I399-F401 HydrophobicContact CG2-CD2 3.16Å; I399-F401 HydrophobicContact CG2-CE2 3.44Å; I399-F401 VanDerWaalsContact CG2-CE2 3.44Å; I399-F401 HydrophobicContact CG2-CG 3.64Å; I399-F401 HydrophobicContact CG2-CZ 4.13Å
400N34.9Very low33Very low93 Ų93113.8 Ų113.850%0.49769%0.692SS.*  trans-101.3100.2157.6-83.2-22.7000108.4D140D140-N400 PolarHBondContact OD1-ND2 3.13Å; D140-N400 PolarHBondContact OD2-ND2 2.63Å
401F42Very low33.1Very low127 Ų127109.8 Ų109.856%0.55768%0.682SS**  trans-115.292.6177.5-72.3-29.2000112.4I399I399-F401 HydrophobicContact CB-CD2 4.44Å; I399-F401 HydrophobicContact CB-CE2 4.35Å; I399-F401 HydrophobicContact CD1-CE2 4.05Å; I399-F401 HydrophobicContact CG1-CE2 4.03Å; I399-F401 HydrophobicContact CG1-CZ 4.22Å; I399-F401 HydrophobicContact CG2-CB 4.2Å; I399-F401 HydrophobicContact CG2-CD1 4.31Å; I399-F401 HydrophobicContact CG2-CD2 3.16Å; I399-F401 HydrophobicContact CG2-CE2 3.44Å; I399-F401 VanDerWaalsContact CG2-CE2 3.44Å; I399-F401 HydrophobicContact CG2-CG 3.64Å; I399-F401 HydrophobicContact CG2-CZ 4.13Å
402T30.6Very low33.4Very low92 Ų92110.2 Ų110.256%0.56468%0.68SS**  trans-55.3137.8155.1-47.60000109.8T404T402-T404 HydrophobicContact CG2-CG2 4.28Å
403V28.9Very low33.3Very low81 Ų81109.5 Ų109.549%0.49167%0.669SS.*  trans-125.587.7171.5-177.70000109.1V405V403-V405 HydrophobicContact CG1-CG2 4.47Å
404T27.7Very low33.3Very low129 Ų129107.9 Ų107.979%0.79166%0.66SS**  trans-80.2121.3164.444.30000109.2T402T402-T404 HydrophobicContact CG2-CG2 4.28Å
405V36Very low33.4Very low113 Ų113106.7 Ų106.769%0.68565%0.649SS**  trans-90.8113.1168.2174.10000107.7V403V403-V405 HydrophobicContact CG1-CG2 4.47Å
406D28.5Very low33.5Very low153 Ų153102.9 Ų102.982%0.81864%0.635SS**  trans-69.1151.2169.5-153.7-20.9000110
407S32.4Very low33.3Very low100 Ų100106 Ų10670%0.69965%0.65SS**  trans-125.6111.2-171-65.10000111.3
408S33Very low33.4Very low196 Ų196112.1 Ų112.1100%1.37167%0.672SS**  trans-156.20169.8-72.60000110

Retrieved 408 of 408 residues in 579.1 ms (Link to these results)

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