A0A5K4F517_SCHMA Loading...

Putative steroid dehydrogenase

AlphaFold DB , UniProt , Accession A0A5K4F517, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 307 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
1M71.6Confident92Very high202 Ų202122.5 Ų122.5100%0.99556%0.564SS**  0123.20-151.2-174.8-70.600106.3W3M1-W3 PolarHBondContact O-N 2.8Å; M1-W3 VanDerWaalsContact O-N 3.16Å
2D88.4Confident92.4Very high101 Ų101124.1 Ų124.154%0.5456%0.563SS.*  trans-70.6109-179-176.8-2.6000109I4 Y5 L6D2-I4 PolarHBondContact O-N 3.11Å; D2-I4 VanDerWaalsContact O-N 3.14Å; D2-I4 VanDerWaalsContact OD1-CB 3.29Å; D2-I4 WeakPolarHBondContact OD1-CB 3.44Å; D2-I4 PolarHBondContact OD1-N 2.98Å; D2-Y5 WeakPolarHBondContact O-CB 3.28Å; D2-Y5 PolarHBondContact O-N 3.34Å; D2-L6 PolarHBondContact O-N 3.13Å
3W92.9Very high92.7Very high196 Ų196123 Ų12374%0.74256%0.564SS**Hα-helixtrans-56-29.1179.6-70.5105.8000112.3M1 Y5 L6 I7M1-W3 PolarHBondContact O-N 2.8Å; M1-W3 VanDerWaalsContact O-N 3.16Å; W3-Y5 VanDerWaalsContact C-N 3.34Å; W3-L6 HydrophobicContact CE3-CD2 4.09Å; W3-L6 HydrophobicContact CZ3-CD2 4.02Å; W3-L6 PolarHBondContact O-N 3.14Å; W3-I7 VanDerWaalsContact O-CG1 3.28Å; W3-I7 WeakPolarHBondContact O-CG1 3.49Å; W3-I7 PolarHBondContact O-N 3.24Å
4I93.4Very high92.7Very high96 Ų96121.6 Ų121.649%0.49256%0.556SS.*Hα-helixtrans-65-41.2176.2-61.3169000110.4D2 I7 R8D2-I4 PolarHBondContact O-N 3.11Å; D2-I4 VanDerWaalsContact O-N 3.14Å; D2-I4 VanDerWaalsContact OD1-CB 3.29Å; D2-I4 WeakPolarHBondContact OD1-CB 3.44Å; D2-I4 PolarHBondContact OD1-N 2.98Å; I4-I7 PolarHBondContact O-N 2.97Å; I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.41Å; I4-R8 PolarHBondContact O-N 3.01Å
5Y94.6Very high92.8Very high156 Ų156118.6 Ų118.661%0.61255%0.546SS*.Hα-helixtrans-62.4-45.9176.1179.9-95.8000111.3D2 W3 I7 R8 V9D2-Y5 WeakPolarHBondContact O-CB 3.28Å; D2-Y5 PolarHBondContact O-N 3.34Å; W3-Y5 VanDerWaalsContact C-N 3.34Å; Y5-I7 PolarHBondContact O-N 3.16Å; Y5-R8 WeakPolarHBondContact O-CB 3.29Å; Y5-R8 PolarHBondContact O-N 2.97Å; Y5-V9 HydrophobicContact CD1-CG2 4.11Å; Y5-V9 HydrophobicContact CE1-CG2 3.66Å; Y5-V9 HydrophobicContact CE2-CG2 4.31Å; Y5-V9 WeakPolarHBondContact O-CG2 3.35Å; Y5-V9 PolarHBondContact O-N 3Å
6L94.5Very high93Very high65 Ų65117 Ų11734%0.3454%0.542SS..Hα-helixtrans-61.8-44.9178.9-177.761.8000112.1D2 W3 R8 V9 I10D2-L6 PolarHBondContact O-N 3.13Å; W3-L6 HydrophobicContact CE3-CD2 4.09Å; W3-L6 HydrophobicContact CZ3-CD2 4.02Å; W3-L6 PolarHBondContact O-N 3.14Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 3.28Å; L6-V9 PolarHBondContact O-N 3.36Å; L6-I10 HydrophobicContact CD1-CD1 4.24Å; L6-I10 HydrophobicContact CD1-CG1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.05Å; L6-I10 WeakPolarHBondContact O-CG1 2.99Å; L6-I10 PolarHBondContact O-N 3.48Å
7I95.4Very high93.1Very high112 Ų112117.2 Ų117.257%0.57454%0.54SS*.Hα-helixtrans-59.4-43.1176.5-69.4165.8000110.8W3 I4 Y5 I10 F11W3-I7 VanDerWaalsContact O-CG1 3.28Å; W3-I7 WeakPolarHBondContact O-CG1 3.49Å; W3-I7 PolarHBondContact O-N 3.24Å; I4-I7 PolarHBondContact O-N 2.97Å; Y5-I7 PolarHBondContact O-N 3.16Å; I7-I10 PolarHBondContact O-N 3.24Å; I7-F11 WeakPolarHBondContact O-CB 3.36Å; I7-F11 PolarHBondContact O-N 3.46Å
8R95.4Very high93.2Very high152 Ų152112.9 Ų112.957%0.57452%0.52SS*.Hα-helixtrans-61-47.5176.3-74.7174.8-178.6-176.72.4111.6I4 Y5 L6 I10 F11 Y12I4-R8 VanDerWaalsContact O-CG 3.3Å; I4-R8 WeakPolarHBondContact O-CG 3.41Å; I4-R8 PolarHBondContact O-N 3.01Å; Y5-R8 WeakPolarHBondContact O-CB 3.29Å; Y5-R8 PolarHBondContact O-N 2.97Å; L6-R8 VanDerWaalsContact C-N 3.31Å; L6-R8 PolarHBondContact O-N 3.28Å; R8-I10 PolarHBondContact O-N 3.27Å; R8-F11 PolarHBondContact O-N 2.89Å; R8-Y12 HydrophobicContact CB-CD2 4.37Å; R8-Y12 HydrophobicContact CB-CE2 4.11Å; R8-Y12 WeakPolarHBondContact O-CD2 3.31Å; R8-Y12 PolarHBondContact O-N 2.96Å
9V96Very high93.4Very high51 Ų51112.2 Ų112.231%0.30952%0.52SS..Hα-helixtrans-59.2-47178.8172.30000111.2Y5 L6 F11 Y12 L13Y5-V9 HydrophobicContact CD1-CG2 4.11Å; Y5-V9 HydrophobicContact CE1-CG2 3.66Å; Y5-V9 HydrophobicContact CE2-CG2 4.31Å; Y5-V9 WeakPolarHBondContact O-CG2 3.35Å; Y5-V9 PolarHBondContact O-N 3Å; L6-V9 PolarHBondContact O-N 3.36Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.42Å; V9-Y12 PolarHBondContact O-N 3.39Å; V9-L13 HydrophobicContact CG1-CD1 4.09Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 2.94Å
10I95.3Very high93.5Very high101 Ų101110.9 Ų110.952%0.51852%0.516SS..Hα-helixtrans-60.4-43.9177.7-66.8168.2000110.9L6 I7 R8 L13 F14L6-I10 HydrophobicContact CD1-CD1 4.24Å; L6-I10 HydrophobicContact CD1-CG1 4.48Å; L6-I10 HydrophobicContact CG-CD1 4.05Å; L6-I10 WeakPolarHBondContact O-CG1 2.99Å; L6-I10 PolarHBondContact O-N 3.48Å; I7-I10 PolarHBondContact O-N 3.24Å; R8-I10 PolarHBondContact O-N 3.27Å; I10-L13 PolarHBondContact O-N 3.18Å; I10-F14 PolarHBondContact O-N 3.21Å
11F95Very high93.7Very high116 Ų116108 Ų10851%0.50951%0.505SS..Hα-helixtrans-62.6-43.2177.5-179-107.1000112.3I7 R8 V9 F14 L15I7-F11 WeakPolarHBondContact O-CB 3.36Å; I7-F11 PolarHBondContact O-N 3.46Å; R8-F11 PolarHBondContact O-N 2.89Å; V9-F11 VanDerWaalsContact C-N 3.33Å; V9-F11 PolarHBondContact O-N 3.42Å; F11-F14 WeakPolarHBondContact O-CB 3.28Å; F11-F14 PolarHBondContact O-N 3.36Å; F11-L15 HydrophobicContact CD1-CD1 3.96Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.12Å; F11-L15 HydrophobicContact CE2-CG 4.49Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 4.27Å; F11-L15 HydrophobicContact CZ-CG 4.12Å; F11-L15 WeakPolarHBondContact O-CG 3.46Å; F11-L15 PolarHBondContact O-N 2.92Å
12Y96.3Very high94.9Very high141 Ų141100.5 Ų100.555%0.55347%0.468SS*.Hα-helixtrans-64.6-42.7175.7-73.3-59.1000112.5R8 V9 F14 L15 I16R8-Y12 HydrophobicContact CB-CD2 4.37Å; R8-Y12 HydrophobicContact CB-CE2 4.11Å; R8-Y12 WeakPolarHBondContact O-CD2 3.31Å; R8-Y12 PolarHBondContact O-N 2.96Å; V9-Y12 PolarHBondContact O-N 3.39Å; Y12-F14 VanDerWaalsContact C-N 3.28Å; Y12-F14 PolarHBondContact O-N 2.87Å; Y12-L15 PolarHBondContact O-N 2.85Å; Y12-I16 WeakPolarHBondContact O-CB 3.43Å; Y12-I16 VanDerWaalsContact O-CG1 3.28Å; Y12-I16 WeakPolarHBondContact O-CG1 3.45Å; Y12-I16 PolarHBondContact O-N 3.15Å
13L96Very high95.3Very high110 Ų110100.3 Ų100.358%0.57647%0.467SS*.Hα-helixtrans-60.3-39.8175.4-70.8174.3000111.6V9 I10 K17V9-L13 HydrophobicContact CG1-CD1 4.09Å; V9-L13 HydrophobicContact CG1-CG 4.43Å; V9-L13 WeakPolarHBondContact O-CG 3.3Å; V9-L13 PolarHBondContact O-N 2.94Å; I10-L13 PolarHBondContact O-N 3.18Å; L13-K17 WeakPolarHBondContact O-CB 3.39Å; L13-K17 PolarHBondContact O-N 3.35Å
14F93.5Very high95.5Very high103 Ų10393.9 Ų93.945%0.45245%0.451SS..Hα-helixtrans-61.5-47.9173173.9-95.2000112I10 F11 Y12 K17 K18I10-F14 PolarHBondContact O-N 3.21Å; F11-F14 WeakPolarHBondContact O-CB 3.28Å; F11-F14 PolarHBondContact O-N 3.36Å; Y12-F14 VanDerWaalsContact C-N 3.28Å; Y12-F14 PolarHBondContact O-N 2.87Å; F14-K17 PolarHBondContact O-N 3.35Å; F14-K18 HydrophobicContact CD1-CG 4.49Å; F14-K18 HydrophobicContact CE1-CG 4.11Å; F14-K18 HydrophobicContact CE2-CG 4.31Å; F14-K18 HydrophobicContact CZ-CD 4.44Å; F14-K18 HydrophobicContact CZ-CG 4.01Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.21Å
15L94.4Very high95.7Very high77 Ų7790.5 Ų90.540%0.40343%0.433SS..Hα-helixtrans-62.1-43.2177.9-71.1179.7000112.5F11 Y12 K18 L19F11-L15 HydrophobicContact CD1-CD1 3.96Å; F11-L15 HydrophobicContact CD1-CG 4.48Å; F11-L15 HydrophobicContact CE1-CD1 3.42Å; F11-L15 VanDerWaalsContact CE1-CD1 3.42Å; F11-L15 HydrophobicContact CE1-CG 4.12Å; F11-L15 HydrophobicContact CE2-CG 4.49Å; F11-L15 HydrophobicContact CZ-CD1 3.79Å; F11-L15 HydrophobicContact CZ-CD2 4.27Å; F11-L15 HydrophobicContact CZ-CG 4.12Å; F11-L15 WeakPolarHBondContact O-CG 3.46Å; F11-L15 PolarHBondContact O-N 2.92Å; Y12-L15 PolarHBondContact O-N 2.85Å; L15-K18 PolarHBondContact O-N 3.25Å; L15-L19 PolarHBondContact O-N 3.3Å
16I95.9Very high95.9Very high93 Ų9386.5 Ų86.548%0.47742%0.422SS..Hα-helixtrans-61-46.6176.9-70.6166.1000110.2Y12 K18 L19 I20Y12-I16 WeakPolarHBondContact O-CB 3.43Å; Y12-I16 VanDerWaalsContact O-CG1 3.28Å; Y12-I16 WeakPolarHBondContact O-CG1 3.45Å; Y12-I16 PolarHBondContact O-N 3.15Å; I16-K18 VanDerWaalsContact C-N 3.3Å; I16-K18 PolarHBondContact O-N 2.84Å; I16-L19 PolarHBondContact O-N 3.29Å; I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.36Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.24Å
17K94.8Very high96Very high120 Ų12087.4 Ų87.452%0.52242%0.423SS..Hα-helixtrans-55.6-46.8175.9177.9178.1171.254.20111.3L13 F14 L19 I20 D21L13-K17 WeakPolarHBondContact O-CB 3.39Å; L13-K17 PolarHBondContact O-N 3.35Å; F14-K17 PolarHBondContact O-N 3.35Å; K17-L19 PolarHBondContact O-N 2.95Å; K17-I20 PolarHBondContact O-N 3.1Å; K17-D21 IonicContact NZ-OD1 3.7Å; K17-D21 IonicContact NZ-OD2 3.98Å; K17-D21 PolarHBondContact O-N 2.8Å
18K94.4Very high96.2Very high41 Ų4183.6 Ų83.618%0.17840%0.404CS..Hα-helixtrans-64.1-40.1179.6-67.6-61.7-167.7175.90112.4F14 L15 I16 D21 L22 Y280 F284F14-K18 HydrophobicContact CD1-CG 4.49Å; F14-K18 HydrophobicContact CE1-CG 4.11Å; F14-K18 HydrophobicContact CE2-CG 4.31Å; F14-K18 HydrophobicContact CZ-CD 4.44Å; F14-K18 HydrophobicContact CZ-CG 4.01Å; F14-K18 WeakPolarHBondContact O-CG 3.47Å; F14-K18 PolarHBondContact O-N 3.21Å; L15-K18 PolarHBondContact O-N 3.25Å; I16-K18 VanDerWaalsContact C-N 3.3Å; I16-K18 PolarHBondContact O-N 2.84Å; K18-D21 PolarHBondContact O-N 2.93Å; K18-L22 PolarHBondContact O-N 3.27Å; K18-Y280 WeakPolarHBondContact O-CE2 3.41Å; K18-Y280 PolarHBondContact O-OH 3.15Å; K18-F284 HydrophobicContact CB-CE1 4.24Å; K18-F284 HydrophobicContact CB-CZ 4.21Å; K18-F284 HydrophobicContact CD-CE1 3.48Å; K18-F284 VanDerWaalsContact CD-CE1 3.48Å; K18-F284 HydrophobicContact CD-CZ 3.67Å; K18-F284 HydrophobicContact CG-CE1 3.72Å; K18-F284 HydrophobicContact CG-CZ 4.09Å
19L96.1Very high96.3Very high98 Ų9876.5 Ų76.551%0.51338%0.377SS..Hα-helixtrans-62.2-44.3173.3-179.361.1000111.6L15 I16 K17 L22 L23L15-L19 PolarHBondContact O-N 3.3Å; I16-L19 PolarHBondContact O-N 3.29Å; K17-L19 PolarHBondContact O-N 2.95Å; L19-L22 PolarHBondContact O-N 3.2Å; L19-L23 HydrophobicContact CD1-CD1 4.49Å; L19-L23 HydrophobicContact CD1-CG 4.38Å; L19-L23 HydrophobicContact CG-CD1 4.19Å; L19-L23 HydrophobicContact CG-CG 4.5Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.38Å
20I97Very high96.3Very high87 Ų8777 Ų7745%0.44638%0.38SS..Hα-helixtrans-60-48.1175.4-68.4167000110.4I16 K17 L22 L23 C24I16-I20 HydrophobicContact CG2-CD1 3.75Å; I16-I20 HydrophobicContact CG2-CG1 4.36Å; I16-I20 WeakPolarHBondContact O-CG1 3.33Å; I16-I20 PolarHBondContact O-N 3.24Å; K17-I20 PolarHBondContact O-N 3.1Å; I20-L22 VanDerWaalsContact C-N 3.27Å; I20-L22 PolarHBondContact O-N 3.4Å; I20-L23 PolarHBondContact O-N 3.35Å; I20-L23 VanDerWaalsContact O-N 3.15Å; I20-C24 WeakPolarHBondContact O-CB 3.34Å; I20-C24 PolarHBondContact O-N 2.92Å; I20-C24 PolarHBondContact O-SG 3.23Å
21D95.9Very high96.3Very high51 Ų5176.5 Ų76.527%0.27338%0.378SS..Hα-helixtrans-56.2-42.3178-64.5-21.3000110.9K17 K18 C24 I25 Y280K17-D21 IonicContact NZ-OD1 3.7Å; K17-D21 IonicContact NZ-OD2 3.98Å; K17-D21 PolarHBondContact O-N 2.8Å; K18-D21 PolarHBondContact O-N 2.93Å; D21-C24 PolarHBondContact O-N 2.95Å; D21-I25 WeakPolarHBondContact O-CG1 3.32Å; D21-I25 PolarHBondContact O-N 3.48Å; D21-Y280 HydrophobicContact CB-CE2 4.17Å
22L97.4Very high96.4Very high44 Ų4471 Ų7123%0.2335%0.354CS..Hα-helixtrans-66.2-44.2175.9179.560.6000112.8K18 L19 I20 C24 I25 I26 L277 Y280K18-L22 PolarHBondContact O-N 3.27Å; L19-L22 PolarHBondContact O-N 3.2Å; I20-L22 VanDerWaalsContact C-N 3.27Å; I20-L22 PolarHBondContact O-N 3.4Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 3.28Å; L22-I25 PolarHBondContact O-N 3.34Å; L22-I26 HydrophobicContact CD1-CD1 4.34Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.85Å; L22-L277 HydrophobicContact CD1-CD1 4.06Å; L22-Y280 HydrophobicContact CB-CE1 4.11Å; L22-Y280 HydrophobicContact CB-CE2 4.13Å; L22-Y280 HydrophobicContact CD1-CD1 4.1Å; L22-Y280 HydrophobicContact CD1-CE1 4Å; L22-Y280 HydrophobicContact CD2-CE1 4.26Å; L22-Y280 HydrophobicContact CG-CE1 4.35Å
23L97.6Very high96.4Very high97 Ų9766.4 Ų66.451%0.50834%0.335SS..Hα-helixtrans-62.8-39.2177.1-70.2174.5000111.2L19 I20 I26 F27L19-L23 HydrophobicContact CD1-CD1 4.49Å; L19-L23 HydrophobicContact CD1-CG 4.38Å; L19-L23 HydrophobicContact CG-CD1 4.19Å; L19-L23 HydrophobicContact CG-CG 4.5Å; L19-L23 VanDerWaalsContact O-CG 3.32Å; L19-L23 WeakPolarHBondContact O-CG 3.3Å; L19-L23 PolarHBondContact O-N 3.38Å; I20-L23 PolarHBondContact O-N 3.35Å; I20-L23 VanDerWaalsContact O-N 3.15Å; L23-I26 PolarHBondContact O-N 2.82Å; L23-F27 VanDerWaalsContact O-CB 3.3Å; L23-F27 WeakPolarHBondContact O-CB 3.09Å; L23-F27 PolarHBondContact O-N 3.08Å
24C97.2Very high96.4Very high60 Ų6069.2 Ų69.241%0.40534%0.343SS..Hα-helixtrans-61.4-44.2173-71.70000111.7I20 D21 L22 F27 N28I20-C24 WeakPolarHBondContact O-CB 3.34Å; I20-C24 PolarHBondContact O-N 2.92Å; I20-C24 PolarHBondContact O-SG 3.23Å; D21-C24 PolarHBondContact O-N 2.95Å; L22-C24 VanDerWaalsContact C-N 3.3Å; L22-C24 PolarHBondContact O-N 3.28Å; C24-F27 PolarHBondContact O-N 3.34Å; C24-N28 VanDerWaalsContact O-CB 3.28Å; C24-N28 WeakPolarHBondContact O-CB 3.28Å; C24-N28 VanDerWaalsContact O-CG 3.26Å; C24-N28 PolarHBondContact O-N 3.33Å
25I97.5Very high96.6Very high25 Ų2569.8 Ų69.813%0.12835%0.35CS..Hα-helixtrans-59.2-49.9174.3-70166000110.4D21 L22 F27 N28 Y29 F273 A276 Y280D21-I25 WeakPolarHBondContact O-CG1 3.32Å; D21-I25 PolarHBondContact O-N 3.48Å; L22-I25 PolarHBondContact O-N 3.34Å; I25-F27 VanDerWaalsContact C-N 3.3Å; I25-F27 PolarHBondContact O-N 2.83Å; I25-N28 PolarHBondContact O-N 3.18Å; I25-Y29 HydrophobicContact CG2-CD2 4.05Å; I25-Y29 HydrophobicContact CG2-CE2 4.38Å; I25-Y29 VanDerWaalsContact O-CD2 3.26Å; I25-Y29 WeakPolarHBondContact O-CD2 3.39Å; I25-Y29 PolarHBondContact O-N 2.6Å; I25-Y29 VanDerWaalsContact O-N 3.08Å; I25-F273 HydrophobicContact CG2-CD2 4.36Å; I25-F273 HydrophobicContact CG2-CE2 4.28Å; I25-A276 HydrophobicContact CG2-CB 3.8Å; I25-Y280 HydrophobicContact CD1-CD2 4.05Å; I25-Y280 HydrophobicContact CD1-CG 4.06Å
26I97.7Very high96.7Very high72 Ų7270.8 Ų70.837%0.36935%0.351SS..Hα-helixtrans-58.4-47.2179.4-68.2164.6000110.1L22 L23 T30 F273L22-I26 HydrophobicContact CD1-CD1 4.34Å; L22-I26 HydrophobicContact CG-CD1 4.13Å; L22-I26 WeakPolarHBondContact O-CG1 3.41Å; L22-I26 PolarHBondContact O-N 2.85Å; L23-I26 PolarHBondContact O-N 2.82Å; I26-T30 WeakPolarHBondContact O-CB 3.46Å; I26-T30 VanDerWaalsContact O-CG2 3.29Å; I26-T30 WeakPolarHBondContact O-CG2 3.01Å; I26-T30 PolarHBondContact O-N 2.78Å; I26-T30 PolarHBondContact O-OG1 3.37Å; I26-F273 HydrophobicContact CG1-CE2 4.31Å
27F98.1Very high96.7Very high85 Ų8568 Ų6837%0.37334%0.34SS..Hα-helixtrans-60.1-55.2179.1176.5-102.8000111.8L23 C24 I25 Y29 T30 I31 G32 F36L23-F27 VanDerWaalsContact O-CB 3.3Å; L23-F27 WeakPolarHBondContact O-CB 3.09Å; L23-F27 PolarHBondContact O-N 3.08Å; C24-F27 PolarHBondContact O-N 3.34Å; I25-F27 VanDerWaalsContact C-N 3.3Å; I25-F27 PolarHBondContact O-N 2.83Å; F27-Y29 PolarHBondContact O-N 3.27Å; F27-T30 PolarHBondContact O-N 3.44Å; F27-T30 PolarHBondContact O-OG1 3.01Å; F27-I31 HydrophobicContact CD2-CB 4.27Å; F27-I31 HydrophobicContact CE2-CB 4.16Å; F27-I31 HydrophobicContact CE2-CG2 4.11Å; F27-I31 PolarHBondContact O-N 3.37Å; F27-G32 PolarHBondContact O-N 3Å; F27-F36 HydrophobicContact CE1-CD2 4.42Å; F27-F36 AromaticContact CE1-CE2 3.8Å; F27-F36 HydrophobicContact CE1-CE2 3.8Å; F27-F36 AromaticContact CZ-CE2 3.77Å; F27-F36 HydrophobicContact CZ-CE2 3.77Å
28N98Very high96.8Very high31 Ų3165.4 Ų65.417%0.16633%0.329CS..Iπ-helixtrans-57.2-46.9-176.4-76.2-6.4000112C24 I25 T30 R33 M262 V265 E266C24-N28 VanDerWaalsContact O-CB 3.28Å; C24-N28 WeakPolarHBondContact O-CB 3.28Å; C24-N28 VanDerWaalsContact O-CG 3.26Å; C24-N28 PolarHBondContact O-N 3.33Å; I25-N28 PolarHBondContact O-N 3.18Å; N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.28Å; N28-R33 WeakPolarHBondContact O-CB 3.29Å; N28-R33 PolarHBondContact O-N 2.81Å; N28-M262 HydrophobicContact CB-CE 4.25Å; N28-V265 HydrophobicContact CB-CG1 4.26Å; N28-E266 PolarHBondContact ND2-OE1 3.29Å
29Y97.6Very high97Very high4 Ų464.7 Ų64.72%0.01633%0.325CS..Iπ-helixtrans-81.6-1.9-176.1-73.9-94.6000114.3I25 F27 R33 M262 E266 T269 F270 G271 F273 A276I25-Y29 HydrophobicContact CG2-CD2 4.05Å; I25-Y29 HydrophobicContact CG2-CE2 4.38Å; I25-Y29 VanDerWaalsContact O-CD2 3.26Å; I25-Y29 WeakPolarHBondContact O-CD2 3.39Å; I25-Y29 PolarHBondContact O-N 2.6Å; I25-Y29 VanDerWaalsContact O-N 3.08Å; F27-Y29 PolarHBondContact O-N 3.27Å; Y29-R33 VanDerWaalsContact O-CZ 3.27Å; Y29-R33 PolarHBondContact O-NE 3.39Å; Y29-R33 PolarHBondContact O-NH1 3.23Å; Y29-M262 HydrophobicContact CD1-SD 4.07Å; Y29-M262 HydrophobicContact CD2-CE 4.36Å; Y29-M262 HydrophobicContact CE1-CE 4.24Å; Y29-M262 HydrophobicContact CE1-CG 4.17Å; Y29-M262 HydrophobicContact CE1-SD 4.13Å; Y29-M262 HydrophobicContact CE2-CE 4.04Å; Y29-M262 HydrophobicContact CG-SD 4.41Å; Y29-E266 PolarHBondContact OH-OE2 3.42Å; Y29-T269 PolarHBondContact OH-OG1 3.26Å; Y29-F270 PolarHBondContact OH-N 3Å; Y29-F270 VanDerWaalsContact OH-N 3.09Å; Y29-G271 PolarHBondContact OH-N 2.68Å; Y29-F273 HydrophobicContact CD1-CB 4.16Å; Y29-F273 HydrophobicContact CG-CB 4.26Å; Y29-F273 HydrophobicContact CG-CD2 4.35Å; Y29-A276 HydrophobicContact CD2-CB 4.14Å; Y29-A276 HydrophobicContact CE1-CB 4.19Å; Y29-A276 HydrophobicContact CE2-CB 3.51Å
30T96.1Very high97Very high60 Ų6068.8 Ų68.837%0.36834%0.339SS..Iπ-helixtrans-117.7-73.6177.959.70000112.4I26 F27 N28I26-T30 WeakPolarHBondContact O-CB 3.46Å; I26-T30 VanDerWaalsContact O-CG2 3.29Å; I26-T30 WeakPolarHBondContact O-CG2 3.01Å; I26-T30 PolarHBondContact O-N 2.78Å; I26-T30 PolarHBondContact O-OG1 3.37Å; F27-T30 PolarHBondContact O-N 3.44Å; F27-T30 PolarHBondContact O-OG1 3.01Å; N28-T30 VanDerWaalsContact C-N 3.28Å; N28-T30 PolarHBondContact O-N 3.28Å
31I96.7Very high96.9Very high92 Ų9267.8 Ų67.847%0.47233%0.334SS..Iπ-helixtrans-90.2-44.1-175.6-59.8174.2000109.9F27 R33 K34 L35F27-I31 HydrophobicContact CD2-CB 4.27Å; F27-I31 HydrophobicContact CE2-CB 4.16Å; F27-I31 HydrophobicContact CE2-CG2 4.11Å; F27-I31 PolarHBondContact O-N 3.37Å; I31-R33 PolarHBondContact O-N 2.74Å; I31-K34 WeakPolarHBondContact O-CB 3.36Å; I31-K34 PolarHBondContact O-N 3.27Å; I31-L35 HydrophobicContact CG2-CD1 3.61Å; I31-L35 HydrophobicContact CG2-CG 4.04Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-L35 VanDerWaalsContact O-N 3.11Å
32G96.7Very high97Very high0 Ų065.3 Ų65.30%032%0.321CS..Iπ-helixtrans-55-48.6-175.500000112.5F27 K34 L35 F36F27-G32 PolarHBondContact O-N 3Å; G32-K34 VanDerWaalsContact C-N 3.28Å; G32-K34 PolarHBondContact O-N 3.01Å; G32-L35 PolarHBondContact O-N 3.42Å; G32-L35 VanDerWaalsContact O-N 3.13Å; G32-F36 WeakPolarHBondContact O-CB 3.28Å; G32-F36 VanDerWaalsContact O-CD2 3.28Å; G32-F36 WeakPolarHBondContact O-CD2 3.38Å; G32-F36 PolarHBondContact O-N 3.24Å
33R96.5Very high97Very high44 Ų4468.7 Ų68.717%0.16633%0.333CS..Hα-helixtrans-60.6-3417670.1-178.4-172.2-175.48.8114N28 Y29 I31 L35 S37 N258 E261 M262 V265N28-R33 WeakPolarHBondContact O-CB 3.29Å; N28-R33 PolarHBondContact O-N 2.81Å; Y29-R33 VanDerWaalsContact O-CZ 3.27Å; Y29-R33 PolarHBondContact O-NE 3.39Å; Y29-R33 PolarHBondContact O-NH1 3.23Å; I31-R33 PolarHBondContact O-N 2.74Å; R33-L35 VanDerWaalsContact C-N 3.32Å; R33-S37 WeakPolarHBondContact O-CB 3.37Å; R33-S37 PolarHBondContact O-N 2.85Å; R33-N258 PolarHBondContact NH1-OD1 2.91Å; R33-N258 PolarHBondContact NH2-OD1 3.25Å; R33-E261 IonicContact CZ-OE2 3.49Å; R33-E261 VanDerWaalsContact CZ-OE2 3.29Å; R33-E261 IonicContact NE-OE2 3.26Å; R33-E261 PolarHBondContact NE-OE2 3.49Å; R33-E261 IonicContact NH1-OE2 2.77Å; R33-E261 IonicContact NH2-OE2 3.37Å; R33-M262 HydrophobicContact CB-SD 3.84Å; R33-V265 HydrophobicContact CB-CG2 4.26Å
34K95.8Very high97Very high170 Ų17071.4 Ų71.474%0.73934%0.344SS*.Hα-helixtrans-71.2-32178.3-64.8-178.5-178.7-178.40111.9I31 G32I31-K34 WeakPolarHBondContact O-CB 3.36Å; I31-K34 PolarHBondContact O-N 3.27Å; G32-K34 VanDerWaalsContact C-N 3.28Å; G32-K34 PolarHBondContact O-N 3.01Å
35L96.8Very high97Very high115 Ų11568.6 Ų68.660%0.60232%0.324SS*.Hα-helixtrans-88.8-37.7-177.5-63.5-178.5000113.1I31 G32 R33I31-L35 HydrophobicContact CG2-CD1 3.61Å; I31-L35 HydrophobicContact CG2-CG 4.04Å; I31-L35 PolarHBondContact O-N 3.26Å; I31-L35 VanDerWaalsContact O-N 3.11Å; G32-L35 PolarHBondContact O-N 3.42Å; G32-L35 VanDerWaalsContact O-N 3.13Å; R33-L35 VanDerWaalsContact C-N 3.32Å
36F96.5Very high97Very high98 Ų9867.8 Ų67.843%0.4332%0.323SS..Hα-helixtrans-113.1-8.6-165.6-56.2-57.4000114.6F27 G32 K38 V265F27-F36 HydrophobicContact CE1-CD2 4.42Å; F27-F36 AromaticContact CE1-CE2 3.8Å; F27-F36 HydrophobicContact CE1-CE2 3.8Å; F27-F36 AromaticContact CZ-CE2 3.77Å; F27-F36 HydrophobicContact CZ-CE2 3.77Å; G32-F36 WeakPolarHBondContact O-CB 3.28Å; G32-F36 VanDerWaalsContact O-CD2 3.28Å; G32-F36 WeakPolarHBondContact O-CD2 3.38Å; G32-F36 PolarHBondContact O-N 3.24Å; F36-K38 WeakPolarHBondContact O-CD 3.34Å; F36-K38 VanDerWaalsContact O-CE 3.31Å; F36-K38 WeakPolarHBondContact O-CE 3.37Å; F36-K38 PolarHBondContact O-N 3.04Å; F36-V265 HydrophobicContact CB-CG2 4.44Å
37S97.4Very high97Very high33 Ų3367 Ų6723%0.23132%0.321CS..  trans-56.1132.8177.7-174.60000111.9R33 R39 E261 L263R33-S37 WeakPolarHBondContact O-CB 3.37Å; R33-S37 PolarHBondContact O-N 2.85Å; S37-R39 WeakPolarHBondContact OG-CB 3.35Å; S37-R39 PolarHBondContact OG-N 2.97Å; S37-E261 WeakPolarHBondContact CB-O 3.3Å; S37-E261 PolarHBondContact OG-O 3.15Å; S37-L263 WeakPolarHBondContact CA-O 3.27Å
38K96.4Very high97Very high66 Ų6663.2 Ų63.229%0.28730%0.304SS..  trans-95.84.6177.4-53.4-55.6178.7-173.50112.5F36 K40 L41 L263F36-K38 WeakPolarHBondContact O-CD 3.34Å; F36-K38 VanDerWaalsContact O-CE 3.31Å; F36-K38 WeakPolarHBondContact O-CE 3.37Å; F36-K38 PolarHBondContact O-N 3.04Å; K38-K40 PolarHBondContact O-N 3.04Å; K38-K40 VanDerWaalsContact O-N 3.15Å; K38-L41 HydrophobicContact CB-CD1 4.1Å; K38-L41 HydrophobicContact CB-CG 4.44Å; K38-L41 HydrophobicContact CD-CD1 3.85Å; K38-L41 HydrophobicContact CG-CD1 4.41Å; K38-L41 WeakPolarHBondContact O-CB 3.31Å; K38-L41 PolarHBondContact O-N 2.8Å; K38-L263 PolarHBondContact N-O 3.44Å
39R97.4Very high97.1Very high26 Ų2661.7 Ų61.710%0.09830%0.296CS..G310 helixtrans-47.5-44.4177.4-178.8-176.6172.9164.8-7112.6S37 L41 L42 E65 D69 L260S37-R39 WeakPolarHBondContact OG-CB 3.35Å; S37-R39 PolarHBondContact OG-N 2.97Å; R39-L41 VanDerWaalsContact C-N 3.25Å; R39-L41 PolarHBondContact O-N 2.63Å; R39-L42 WeakPolarHBondContact O-CB 3.48Å; R39-L42 WeakPolarHBondContact O-CG 3.46Å; R39-L42 PolarHBondContact O-N 2.95Å; R39-E65 IonicContact CZ-OE2 3.83Å; R39-E65 VanDerWaalsContact CZ-OE2 3.29Å; R39-E65 IonicContact NH1-OE2 3.28Å; R39-E65 PolarHBondContact NH1-OE2 2.7Å; R39-E65 PolarHBondContact NH2-O 3Å; R39-E65 IonicContact NH2-OE2 3.45Å; R39-E65 PolarHBondContact NH2-OE2 3.41Å; R39-D69 WeakPolarHBondContact CG-OD2 3.46Å; R39-D69 IonicContact CZ-OD1 3.29Å; R39-D69 IonicContact CZ-OD2 3.08Å; R39-D69 IonicContact NE-OD1 3.72Å; R39-D69 PolarHBondContact NE-OD1 3.44Å; R39-D69 IonicContact NE-OD2 2.7Å; R39-D69 PolarHBondContact NE-OD2 3.38Å; R39-D69 IonicContact NH2-OD1 3.6Å; R39-D69 PolarHBondContact NH2-OD1 3.32Å; R39-D69 IonicContact NH2-OD2 3.52Å; R39-D69 PolarHBondContact NH2-OD2 3.23Å; R39-L260 HydrophobicContact CG-CD1 4.49Å; R39-L260 HydrophobicContact CG-CD2 4.33Å; R39-L260 HydrophobicContact CG-CG 4.05Å
40K96.1Very high97.1Very high185 Ų18561.5 Ų61.580%0.80430%0.295SS*.G310 helixtrans-64.9-25.5-179.1-67.5-176.6177.3-179.30114.1K38 L42K38-K40 PolarHBondContact O-N 3.04Å; K38-K40 VanDerWaalsContact O-N 3.15Å; K40-L42 PolarHBondContact O-N 3.39Å
41L96.2Very high97.3Very high65 Ų6558.7 Ų58.734%0.3428%0.278SS..G310 helixtrans-69.9-24.3179.2-57.4-175000112.1K38 R39 K43 E44 A45K38-L41 HydrophobicContact CB-CD1 4.1Å; K38-L41 HydrophobicContact CB-CG 4.44Å; K38-L41 HydrophobicContact CD-CD1 3.85Å; K38-L41 HydrophobicContact CG-CD1 4.41Å; K38-L41 WeakPolarHBondContact O-CB 3.31Å; K38-L41 PolarHBondContact O-N 2.8Å; R39-L41 VanDerWaalsContact C-N 3.25Å; R39-L41 PolarHBondContact O-N 2.63Å; L41-K43 PolarHBondContact O-N 3.13Å; L41-E44 PolarHBondContact O-N 2.98Å; L41-E44 VanDerWaalsContact O-N 3.1Å; L41-A45 WeakPolarHBondContact O-CB 3.47Å; L41-A45 PolarHBondContact O-N 3.49Å
42L98Very high97.4Very high0 Ų054.3 Ų54.30%026%0.255CS..Hα-helixtrans-56.7-38.2-177.7-65.8178.6000112.3R39 K40 E44 A45 G46 L66 L71 A125 C126 A183 L263R39-L42 WeakPolarHBondContact O-CB 3.48Å; R39-L42 WeakPolarHBondContact O-CG 3.46Å; R39-L42 PolarHBondContact O-N 2.95Å; K40-L42 PolarHBondContact O-N 3.39Å; L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.38Å; L42-A45 WeakPolarHBondContact O-CB 3.33Å; L42-A45 PolarHBondContact O-N 3.07Å; L42-A45 VanDerWaalsContact O-N 3.15Å; L42-G46 PolarHBondContact O-N 3.04Å; L42-L66 HydrophobicContact CD1-CD2 3.6Å; L42-L71 HydrophobicContact CB-CD1 4.09Å; L42-A125 HydrophobicContact CB-CB 4.37Å; L42-A125 WeakPolarHBondContact O-CB 3.36Å; L42-C126 HydrophobicContact CD1-CB 4.3Å; L42-C126 HydrophobicContact CD2-CB 4.17Å; L42-A183 HydrophobicContact CD2-CB 3.76Å; L42-L263 HydrophobicContact CD1-CD2 3.75Å; L42-L263 HydrophobicContact CD2-CD2 4.02Å; L42-L263 HydrophobicContact CG-CD2 3.96Å
43K97.3Very high97.4Very high114 Ų11454.9 Ų54.950%0.49626%0.262SS..Hα-helixtrans-63.7-32.9-178.8-177.154.4170.7171.90113L41 D69 G70 L71L41-K43 PolarHBondContact O-N 3.13Å; K43-D69 WeakPolarHBondContact CD-O 3.33Å; K43-G70 PolarHBondContact NZ-O 3.49Å; K43-L71 HydrophobicContact CD-CD2 4.49Å
44E96.6Very high97.5Very high155 Ų15552.8 Ų52.872%0.72425%0.254SS*.Hα-helixtrans-88.1-22.5176.7-63.6174-174.100111.7L41 L42L41-E44 PolarHBondContact O-N 2.98Å; L41-E44 VanDerWaalsContact O-N 3.1Å; L42-E44 VanDerWaalsContact C-N 3.27Å; L42-E44 PolarHBondContact O-N 3.38Å
45A97.3Very high97.6Very high0 Ų045.8 Ų45.80%023%0.225CC..Hα-helixtrans-73.6-30.7-177.300000113.5L41 L42 Q177 T179 T180 M182L41-A45 WeakPolarHBondContact O-CB 3.47Å; L41-A45 PolarHBondContact O-N 3.49Å; L42-A45 WeakPolarHBondContact O-CB 3.33Å; L42-A45 PolarHBondContact O-N 3.07Å; L42-A45 VanDerWaalsContact O-N 3.15Å; A45-Q177 PolarHBondContact O-NE2 2.88Å; A45-Q177 VanDerWaalsContact O-NE2 3.13Å; A45-T179 WeakPolarHBondContact O-CB 3.03Å; A45-T179 PolarHBondContact O-OG1 3.41Å; A45-T180 WeakPolarHBondContact CB-O 3.02Å; A45-M182 HydrophobicContact CB-CB 4.5Å; A45-M182 HydrophobicContact CB-CG 3.86Å
46G97.4Very high97.5Very high9 Ų943.3 Ų43.39%0.09321%0.213CC..  trans-178.3177.8179.300000113L42 L71L42-G46 PolarHBondContact O-N 3.04Å; G46-L71 VanDerWaalsContact O-CD2 3.31Å; G46-L71 WeakPolarHBondContact O-CD2 3.48Å
47V98.3Very high97.5Very high56 Ų5639.1 Ų39.134%0.33920%0.197SC..SBendtrans-93.3-36-174.4176.60000112.4K72 S123V47-K72 HydrophobicContact CG1-CB 4.4Å; V47-K72 HydrophobicContact CG1-CD 3.61Å; V47-K72 HydrophobicContact CG1-CG 3.89Å; V47-K72 PolarHBondContact O-N 3.13Å; V47-S123 WeakPolarHBondContact CG2-OG 3.37Å; V47-S123 PolarHBondContact N-O 3.04Å; V47-S123 PolarHBondContact N-OG 3.47Å
48W98.8Very high97.5Very high4 Ų438.5 Ų38.52%0.01519%0.191CC..EExtended strand (participates in β ladder)trans-108.3140.2-171.6-69.287.2000113.4K72 M74 E97 R99 L121 S123 I124 A125 C126W48-K72 CarbonylContact C-O 3.52Å; W48-K72 VanDerWaalsContact CA-O 3.31Å; W48-K72 WeakPolarHBondContact CA-O 3.36Å; W48-K72 HydrophobicContact CD2-CB 3.53Å; W48-K72 HydrophobicContact CD2-CD 4.31Å; W48-K72 HydrophobicContact CE3-CB 3.47Å; W48-K72 VanDerWaalsContact CE3-CB 3.47Å; W48-K72 HydrophobicContact CG-CB 4.2Å; W48-K72 HydrophobicContact CH2-CB 3.83Å; W48-K72 HydrophobicContact CH2-CD 4.02Å; W48-K72 HydrophobicContact CZ2-CB 3.92Å; W48-K72 HydrophobicContact CZ2-CD 3.49Å; W48-K72 VanDerWaalsContact CZ2-CD 3.49Å; W48-K72 HydrophobicContact CZ2-CG 4.35Å; W48-K72 HydrophobicContact CZ3-CB 3.62Å; W48-M74 HydrophobicContact CE3-CB 4.4Å; W48-E97 HydrophobicContact CH2-CB 4.41Å; W48-E97 HydrophobicContact CH2-CG 3.83Å; W48-E97 VanDerWaalsContact CH2-OE1 3.23Å; W48-E97 WeakPolarHBondContact CH2-OE1 3.3Å; W48-E97 HydrophobicContact CZ2-CG 4.38Å; W48-E97 VanDerWaalsContact CZ2-OE1 3.27Å; W48-E97 WeakPolarHBondContact CZ2-OE1 3.35Å; W48-R99 HydrophobicContact CH2-CB 4.31Å; W48-R99 HydrophobicContact CH2-CG 3.61Å; W48-R99 HydrophobicContact CZ3-CB 4.1Å; W48-R99 HydrophobicContact CZ3-CG 3.91Å; W48-L121 HydrophobicContact CB-CD1 3.99Å; W48-L121 HydrophobicContact CD2-CD1 4.44Å; W48-L121 HydrophobicContact CD2-CD2 3.57Å; W48-L121 HydrophobicContact CD2-CG 4.46Å; W48-L121 HydrophobicContact CE3-CD2 3.93Å; W48-L121 HydrophobicContact CG-CB 4.2Å; W48-L121 HydrophobicContact CG-CD1 4.13Å; W48-L121 HydrophobicContact CG-CD2 3.88Å; W48-L121 HydrophobicContact CG-CG 4.3Å; W48-L121 HydrophobicContact CH2-CD2 4.5Å; W48-L121 HydrophobicContact CZ2-CD2 4.17Å; W48-L121 HydrophobicContact CZ3-CD2 4.38Å; W48-S123 WeakPolarHBondContact CB-O 3.3Å; W48-S123 PolarHBondContact N-O 3.41Å; W48-I124 CarbonylContact O-C 3.57Å; W48-I124 WeakPolarHBondContact O-CA 3.04Å; W48-A125 PolarHBondContact O-N 3.06Å; W48-C126 PolarHBondContact O-N 2.95Å
49A98.9Very high97.6Very high0 Ų035.4 Ų35.40%018%0.177CC..EExtended strand (participates in β ladder)trans-107.4135159.300000110.3L66 L71 K72 I73 M74 C126A49-L66 HydrophobicContact CB-CB 4.17Å; A49-L66 HydrophobicContact CB-CD1 3.79Å; A49-L66 HydrophobicContact CB-CG 4.46Å; A49-L71 HydrophobicContact CB-CB 4.34Å; A49-L71 HydrophobicContact CB-CD1 4.17Å; A49-K72 PolarHBondContact N-O 3.47Å; A49-I73 HydrophobicContact CB-CD1 3.92Å; A49-I73 CarbonylContact O-C 3.53Å; A49-I73 WeakPolarHBondContact O-CA 3.4Å; A49-M74 PolarHBondContact O-N 3.45Å; A49-C126 CarbonylContact C-O 3.52Å; A49-C126 VanDerWaalsContact CA-O 3.25Å; A49-C126 WeakPolarHBondContact CA-O 3.44Å; A49-C126 HydrophobicContact CB-CB 4.11Å
50I98.9Very high97.6Very high0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-105.9127.8175.3-56.2163.5000108M74 I76 I118 L121 I124 C126 L127 V128 M166 V170I50-M74 HydrophobicContact CB-CB 4.48Å; I50-M74 HydrophobicContact CG1-CB 4.12Å; I50-M74 HydrophobicContact CG1-SD 4.14Å; I50-M74 HydrophobicContact CG2-CB 4.45Å; I50-M74 HydrophobicContact CG2-CG 4.33Å; I50-M74 HydrophobicContact CG2-SD 4.16Å; I50-I76 HydrophobicContact CG2-CD1 3.73Å; I50-I76 HydrophobicContact CG2-CG1 4.32Å; I50-I118 HydrophobicContact CD1-CD1 4.34Å; I50-I118 HydrophobicContact CD1-CG1 4Å; I50-I118 HydrophobicContact CD1-CG2 4.5Å; I50-L121 HydrophobicContact CD1-CD1 3.94Å; I50-L121 HydrophobicContact CG1-CD1 3.87Å; I50-I124 HydrophobicContact CD1-CD1 3.74Å; I50-I124 HydrophobicContact CD1-CG1 4.2Å; I50-I124 HydrophobicContact CD1-CG2 4.08Å; I50-I124 HydrophobicContact CG1-CG2 4.46Å; I50-C126 PolarHBondContact N-O 3.22Å; I50-L127 HydrophobicContact CB-CD1 3.89Å; I50-L127 HydrophobicContact CG2-CD1 3.88Å; I50-L127 CarbonylContact O-C 3.52Å; I50-L127 WeakPolarHBondContact O-CA 2.97Å; I50-V128 PolarHBondContact O-N 3.39Å; I50-M166 HydrophobicContact CG2-CE 4.13Å; I50-V170 HydrophobicContact CD1-CG2 3.77Å
51V98.9Very high97.7Very high0 Ų027.9 Ų27.90%015%0.146CC..EExtended strand (participates in β ladder)trans-127.5121.8-179.5-173.90000110.1A54 G59 A63 L66 I73 M74 I76 V128V51-A54 HydrophobicContact CB-CB 3.9Å; V51-A54 HydrophobicContact CG1-CB 3.75Å; V51-A54 WeakPolarHBondContact O-CB 3.33Å; V51-G59 WeakPolarHBondContact CG1-O 3.38Å; V51-A63 HydrophobicContact CB-CB 4.44Å; V51-A63 HydrophobicContact CG1-CB 4.49Å; V51-A63 HydrophobicContact CG2-CB 4.17Å; V51-L66 HydrophobicContact CG2-CD1 4.29Å; V51-I73 HydrophobicContact CG2-CG2 4.41Å; V51-M74 PolarHBondContact N-O 3.26Å; V51-I76 PolarHBondContact O-N 3.29Å; V51-V128 HydrophobicContact CB-CB 4.43Å; V51-V128 HydrophobicContact CG1-CB 4.15Å; V51-V128 HydrophobicContact CG1-CG1 4.38Å; V51-V128 HydrophobicContact CG2-CB 4.14Å; V51-V128 HydrophobicContact CG2-CG2 4.18Å
52T98.7Very high97.9Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-92.9143.1174.267.30000111.3A54 I76 F105 V128 N129 N130 V131 M166T52-A54 VanDerWaalsContact C-N 3.29Å; T52-A54 PolarHBondContact O-N 2.76Å; T52-I76 CarbonylContact C-O 3.55Å; T52-I76 HydrophobicContact CG2-CB 4.43Å; T52-I76 HydrophobicContact CG2-CD1 4.46Å; T52-F105 HydrophobicContact CG2-CE2 4.38Å; T52-F105 HydrophobicContact CG2-CZ 3.87Å; T52-V128 PolarHBondContact N-O 3.17Å; T52-V128 PolarHBondContact OG1-O 3.47Å; T52-N129 WeakPolarHBondContact OG1-CA 3.49Å; T52-N130 VanDerWaalsContact O-CB 3.29Å; T52-N130 WeakPolarHBondContact O-CB 3Å; T52-N130 PolarHBondContact O-ND2 3.22Å; T52-N130 PolarHBondContact OG1-N 2.87Å; T52-V131 PolarHBondContact O-N 3.49Å; T52-V131 WeakPolarHBondContact OG1-CG1 3.13Å; T52-V131 PolarHBondContact OG1-N 2.76Å; T52-V131 VanDerWaalsContact OG1-N 3.08Å; T52-M166 HydrophobicContact CG2-CE 4.11Å; T52-M166 HydrophobicContact CG2-CG 4.27Å
53G97.9Very high97.9Very high13 Ų1324.8 Ų24.813%0.13413%0.13CC..THydrogen-bonded Turntrans64.236.1-171.900000112.1T55 I76 N130G53-T55 VanDerWaalsContact C-N 3.27Å; G53-T55 PolarHBondContact O-N 3.31Å; G53-I76 PolarHBondContact N-O 2.97Å; G53-N130 PolarHBondContact O-ND2 3.04Å
54A97.6Very high98Very high0 Ų021.1 Ų21.10%012%0.115CC..THydrogen-bonded Turntrans-78.3-1-168.400000115.5V51 T52 K60 L75 I76V51-A54 HydrophobicContact CB-CB 3.9Å; V51-A54 HydrophobicContact CG1-CB 3.75Å; V51-A54 WeakPolarHBondContact O-CB 3.33Å; T52-A54 VanDerWaalsContact C-N 3.29Å; T52-A54 PolarHBondContact O-N 2.76Å; A54-K60 VanDerWaalsContact O-CA 3.22Å; A54-K60 WeakPolarHBondContact O-CA 3.31Å; A54-K60 WeakPolarHBondContact O-CB 3.37Å; A54-L75 HydrophobicContact CB-CB 4.13Å; A54-L75 HydrophobicContact CB-CD2 3.46Å; A54-L75 VanDerWaalsContact CB-CD2 3.46Å; A54-L75 HydrophobicContact CB-CG 4.42Å; A54-I76 PolarHBondContact N-O 3.43Å
55T97.2Very high98.1Very high22 Ų2214.9 Ų14.914%0.1359%0.086CC..THydrogen-bonded Turntrans-90-9.2-172.249.80000114.7G53 S77 K82 L83G53-T55 VanDerWaalsContact C-N 3.27Å; G53-T55 PolarHBondContact O-N 3.31Å; T55-S77 VanDerWaalsContact CG2-CB 3.47Å; T55-S77 PolarHBondContact OG1-OG 3.15Å; T55-K82 HydrophobicContact CG2-CB 3.85Å; T55-L83 HydrophobicContact CG2-CB 4.31Å; T55-L83 HydrophobicContact CG2-CD2 3.63Å; T55-L83 HydrophobicContact CG2-CG 3.66Å
56D95.1Very high98.1Very high64 Ų6414.9 Ų14.934%0.3429%0.086SC..SBendtrans-156.8166.4-178-158-6.1000111.7G59 K60 A238D56-G59 PolarHBondContact O-N 3.15Å; D56-K60 PolarHBondContact O-N 3.32Å; D56-K60 VanDerWaalsContact O-N 3.17Å; D56-A238 WeakPolarHBondContact OD2-CB 3.35Å
57G96.3Very high98.2Very high10 Ų1014.5 Ų14.510%0.1038%0.082CC..Hα-helixtrans54.8-136.1169.900000113.8G59 K60 V61G57-G59 PolarHBondContact O-N 3.32Å; G57-K60 PolarHBondContact O-N 3.21Å; G57-V61 WeakPolarHBondContact O-CG2 3.43Å; G57-V61 PolarHBondContact O-N 3.23Å
58I97.8Very high98.2Very high20 Ų2014.6 Ų14.610%0.1039%0.085CC..Hα-helixtrans-61.7-43.7-176-62.5171.4000110.8K60 V61 Y62 P232 V235 Y255I58-K60 PolarHBondContact O-N 2.83Å; I58-V61 PolarHBondContact O-N 3.12Å; I58-Y62 HydrophobicContact CG2-CD2 3.58Å; I58-Y62 HydrophobicContact CG2-CE2 3.59Å; I58-Y62 WeakPolarHBondContact O-CD2 3.38Å; I58-Y62 PolarHBondContact O-N 3.37Å; I58-P232 HydrophobicContact CD1-CG 4.14Å; I58-V235 HydrophobicContact CD1-CB 4.4Å; I58-V235 HydrophobicContact CD1-CG2 4.11Å; I58-V235 HydrophobicContact CG1-CG1 4.39Å; I58-Y255 HydrophobicContact CD1-CD1 3.77Å; I58-Y255 HydrophobicContact CD1-CE1 3.75Å; I58-Y255 HydrophobicContact CG1-CD1 3.84Å; I58-Y255 HydrophobicContact CG1-CE1 4.26Å; I58-Y255 HydrophobicContact CG2-CD1 4.29Å; I58-Y255 HydrophobicContact CG2-CE1 4.32Å
59G98.2Very high98.2Very high0 Ų016.5 Ų16.50%010%0.095CC..Hα-helixtrans-60.4-44.8-179.900000113.1V51 D56 G57 V61 Y62 A63 N130V51-G59 WeakPolarHBondContact CG1-O 3.38Å; D56-G59 PolarHBondContact O-N 3.15Å; G57-G59 PolarHBondContact O-N 3.32Å; G59-V61 VanDerWaalsContact C-N 3.32Å; G59-V61 PolarHBondContact O-N 3.44Å; G59-Y62 PolarHBondContact O-N 2.77Å; G59-A63 PolarHBondContact O-N 3.15Å; G59-N130 WeakPolarHBondContact CA-ND2 3.25Å; G59-N130 PolarHBondContact N-ND2 3.33Å; G59-N130 PolarHBondContact N-OD1 3.47Å
60K98.5Very high98.1Very high46 Ų4617.7 Ų17.720%0.211%0.107CC..Hα-helixtrans-58.6-45174.9-178.6175.6175.9172.90111.7A54 D56 G57 I58 Y62 A63 E64 V86 E89A54-K60 VanDerWaalsContact O-CA 3.22Å; A54-K60 WeakPolarHBondContact O-CA 3.31Å; A54-K60 WeakPolarHBondContact O-CB 3.37Å; D56-K60 PolarHBondContact O-N 3.32Å; D56-K60 VanDerWaalsContact O-N 3.17Å; G57-K60 PolarHBondContact O-N 3.21Å; I58-K60 PolarHBondContact O-N 2.83Å; K60-Y62 PolarHBondContact O-N 3.15Å; K60-A63 WeakPolarHBondContact O-CB 3.43Å; K60-A63 PolarHBondContact O-N 3.39Å; K60-E64 WeakPolarHBondContact CE-OE1 3.29Å; K60-E64 HydrophobicContact CG-CG 4.48Å; K60-E64 IonicContact NZ-OE1 3.74Å; K60-E64 WeakPolarHBondContact O-CG 3.26Å; K60-E64 PolarHBondContact O-N 3.4Å; K60-V86 HydrophobicContact CD-CG2 4.13Å; K60-V86 HydrophobicContact CG-CG1 4.33Å; K60-E89 WeakPolarHBondContact CE-OE2 3.4Å; K60-E89 IonicContact NZ-OE2 3.22Å; K60-E89 PolarHBondContact NZ-OE2 3.13Å
61V98.5Very high98.1Very high8 Ų817.8 Ų17.85%0.04811%0.108CC..Hα-helixtrans-66.1-39.8-179.7174.80000111.6G57 I58 G59 A63 E64 E65 A252 K253G57-V61 WeakPolarHBondContact O-CG2 3.43Å; G57-V61 PolarHBondContact O-N 3.23Å; I58-V61 PolarHBondContact O-N 3.12Å; G59-V61 VanDerWaalsContact C-N 3.32Å; G59-V61 PolarHBondContact O-N 3.44Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.48Å; V61-E64 PolarHBondContact O-N 3.11Å; V61-E65 HydrophobicContact CG1-CG 4.09Å; V61-E65 WeakPolarHBondContact O-CB 3.36Å; V61-E65 VanDerWaalsContact O-CG 3.27Å; V61-E65 WeakPolarHBondContact O-CG 3.09Å; V61-E65 PolarHBondContact O-N 3.42Å; V61-A252 HydrophobicContact CG2-CB 4.03Å; V61-K253 HydrophobicContact CG2-CB 4.4Å
62Y98.8Very high98.1Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-60-42.9172.4-93.8-85.6000111.7I58 G59 K60 E65 L66 V128 I185 I187 A259 L260I58-Y62 HydrophobicContact CG2-CD2 3.58Å; I58-Y62 HydrophobicContact CG2-CE2 3.59Å; I58-Y62 WeakPolarHBondContact O-CD2 3.38Å; I58-Y62 PolarHBondContact O-N 3.37Å; G59-Y62 PolarHBondContact O-N 2.77Å; K60-Y62 PolarHBondContact O-N 3.15Å; Y62-E65 PolarHBondContact O-N 2.69Å; Y62-L66 VanDerWaalsContact O-CB 3.29Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 WeakPolarHBondContact O-CD1 3.49Å; Y62-L66 WeakPolarHBondContact O-CG 3.45Å; Y62-L66 PolarHBondContact O-N 3.36Å; Y62-V128 HydrophobicContact CD1-CG1 4.08Å; Y62-V128 HydrophobicContact CD1-CG2 3.94Å; Y62-V128 HydrophobicContact CD2-CG1 4.29Å; Y62-V128 HydrophobicContact CG-CG1 3.92Å; Y62-V128 HydrophobicContact CG-CG2 4.39Å; Y62-I185 HydrophobicContact CD1-CD1 4.47Å; Y62-I185 HydrophobicContact CE1-CD1 3.81Å; Y62-I185 HydrophobicContact CE1-CG2 4.22Å; Y62-I187 HydrophobicContact CE2-CD1 4.08Å; Y62-A259 HydrophobicContact CE2-CB 4.49Å; Y62-A259 WeakPolarHBondContact OH-CB 3.37Å; Y62-L260 HydrophobicContact CD1-CB 4.36Å; Y62-L260 HydrophobicContact CD1-CD1 4.17Å; Y62-L260 HydrophobicContact CE1-CB 3.83Å; Y62-L260 HydrophobicContact CE1-CD1 3.8Å; Y62-L260 HydrophobicContact CE1-CG 4.29Å
63A98.9Very high98.1Very high0 Ų021 Ų210%012%0.122CC..Hα-helixtrans-61.1-45.3176.800000111.9V51 G59 K60 V61 A67 I73 L75 I90V51-A63 HydrophobicContact CB-CB 4.44Å; V51-A63 HydrophobicContact CG1-CB 4.49Å; V51-A63 HydrophobicContact CG2-CB 4.17Å; G59-A63 PolarHBondContact O-N 3.15Å; K60-A63 WeakPolarHBondContact O-CB 3.43Å; K60-A63 PolarHBondContact O-N 3.39Å; V61-A63 VanDerWaalsContact C-N 3.32Å; V61-A63 PolarHBondContact O-N 3.48Å; A63-A67 VanDerWaalsContact O-CB 3.26Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 2.88Å; A63-I73 HydrophobicContact CB-CG2 4.03Å; A63-L75 HydrophobicContact CB-CD2 3.69Å; A63-I90 HydrophobicContact CB-CD1 3.86Å
64E98.8Very high98.2Very high36 Ų3620.5 Ų20.517%0.16812%0.116CC..Hα-helixtrans-64.7-45.5177.2-71174.6162.200112.6K60 V61 A67 S68 I90 Y94K60-E64 WeakPolarHBondContact CE-OE1 3.29Å; K60-E64 HydrophobicContact CG-CG 4.48Å; K60-E64 IonicContact NZ-OE1 3.74Å; K60-E64 WeakPolarHBondContact O-CG 3.26Å; K60-E64 PolarHBondContact O-N 3.4Å; V61-E64 PolarHBondContact O-N 3.11Å; E64-A67 WeakPolarHBondContact O-CB 3.44Å; E64-A67 PolarHBondContact O-N 2.79Å; E64-S68 WeakPolarHBondContact O-CB 3.46Å; E64-S68 PolarHBondContact O-N 2.87Å; E64-I90 HydrophobicContact CG-CG1 4.32Å; E64-Y94 HydrophobicContact CB-CE2 4Å; E64-Y94 HydrophobicContact CG-CE2 4.17Å
65E98.7Very high98.2Very high25 Ų2520.5 Ų20.512%0.11712%0.116CC..Hα-helixtrans-66.6-41-179.8-71-75.214300111.5R39 V61 Y62 A67 S68 D69 K257 L260R39-E65 IonicContact CZ-OE2 3.83Å; R39-E65 VanDerWaalsContact CZ-OE2 3.29Å; R39-E65 IonicContact NH1-OE2 3.28Å; R39-E65 PolarHBondContact NH1-OE2 2.7Å; R39-E65 PolarHBondContact NH2-O 3Å; R39-E65 IonicContact NH2-OE2 3.45Å; R39-E65 PolarHBondContact NH2-OE2 3.41Å; V61-E65 HydrophobicContact CG1-CG 4.09Å; V61-E65 WeakPolarHBondContact O-CB 3.36Å; V61-E65 VanDerWaalsContact O-CG 3.27Å; V61-E65 WeakPolarHBondContact O-CG 3.09Å; V61-E65 PolarHBondContact O-N 3.42Å; Y62-E65 PolarHBondContact O-N 2.69Å; E65-A67 VanDerWaalsContact C-N 3.34Å; E65-S68 WeakPolarHBondContact O-CB 3.46Å; E65-S68 PolarHBondContact O-N 3.19Å; E65-S68 PolarHBondContact O-OG 3.12Å; E65-D69 PolarHBondContact O-N 3.27Å; E65-D69 VanDerWaalsContact O-N 3.12Å; E65-K257 HydrophobicContact CG-CB 4.48Å; E65-L260 HydrophobicContact CB-CD2 3.7Å
66L98.8Very high98.3Very high0 Ų019.4 Ų19.40%011%0.109CC..Hα-helixtrans-68.4-34.4175.8-68.8167.9000111.7L42 A49 V51 Y62 S68 D69 G70 L71 I73 C126 V128 L260L42-L66 HydrophobicContact CD1-CD2 3.6Å; A49-L66 HydrophobicContact CB-CB 4.17Å; A49-L66 HydrophobicContact CB-CD1 3.79Å; A49-L66 HydrophobicContact CB-CG 4.46Å; V51-L66 HydrophobicContact CG2-CD1 4.29Å; Y62-L66 VanDerWaalsContact O-CB 3.29Å; Y62-L66 WeakPolarHBondContact O-CB 3.48Å; Y62-L66 WeakPolarHBondContact O-CD1 3.49Å; Y62-L66 WeakPolarHBondContact O-CG 3.45Å; Y62-L66 PolarHBondContact O-N 3.36Å; L66-S68 VanDerWaalsContact C-N 3.34Å; L66-D69 PolarHBondContact O-N 3.3Å; L66-G70 PolarHBondContact O-N 2.88Å; L66-L71 HydrophobicContact CB-CD1 4.18Å; L66-L71 HydrophobicContact CD2-CD1 3.84Å; L66-L71 WeakPolarHBondContact O-CB 3.22Å; L66-L71 PolarHBondContact O-N 2.73Å; L66-L71 VanDerWaalsContact O-N 3.15Å; L66-I73 HydrophobicContact CB-CD1 3.92Å; L66-C126 HydrophobicContact CD1-CB 4.47Å; L66-C126 HydrophobicContact CD2-CB 4.49Å; L66-V128 HydrophobicContact CD1-CG2 3.76Å; L66-L260 HydrophobicContact CD2-CD1 4.22Å; L66-L260 HydrophobicContact CD2-CD2 4.02Å; L66-L260 HydrophobicContact CG-CD2 4.19Å
67A98.8Very high98.5Very high1 Ų116.9 Ų16.91%0.00810%0.097CC..Hα-helixtrans-65.2-39.8171.600000111.3A63 E64 E65 D69 G70 I73 I90 Y94 V96A63-A67 VanDerWaalsContact O-CB 3.26Å; A63-A67 WeakPolarHBondContact O-CB 3.49Å; A63-A67 PolarHBondContact O-N 2.88Å; E64-A67 WeakPolarHBondContact O-CB 3.44Å; E64-A67 PolarHBondContact O-N 2.79Å; E65-A67 VanDerWaalsContact C-N 3.34Å; A67-D69 PolarHBondContact O-N 2.63Å; A67-G70 VanDerWaalsContact O-CA 3.29Å; A67-G70 WeakPolarHBondContact O-CA 3.49Å; A67-G70 PolarHBondContact O-N 2.84Å; A67-I73 HydrophobicContact CB-CD1 4.16Å; A67-I73 HydrophobicContact CB-CG1 3.85Å; A67-I90 HydrophobicContact CB-CG2 3.61Å; A67-Y94 HydrophobicContact CB-CD2 3.61Å; A67-Y94 HydrophobicContact CB-CE2 4.32Å; A67-Y94 HydrophobicContact CB-CG 3.88Å; A67-V96 HydrophobicContact CB-CG2 3.78Å
68S98.4Very high98.5Very high58 Ų5822.5 Ų22.541%0.40612%0.115SC..Hα-helixtrans-63.5-26.4175.284.10000113.2E64 E65 L66 G70E64-S68 WeakPolarHBondContact O-CB 3.46Å; E64-S68 PolarHBondContact O-N 2.87Å; E65-S68 WeakPolarHBondContact O-CB 3.46Å; E65-S68 PolarHBondContact O-N 3.19Å; E65-S68 PolarHBondContact O-OG 3.12Å; L66-S68 VanDerWaalsContact C-N 3.34Å; S68-G70 PolarHBondContact O-N 3.22Å
69D98Very high98.4Very high44 Ų4424.7 Ų24.724%0.23513%0.127CC..THydrogen-bonded Turntrans-78.6-1.5171.7-62.2-18.1000112.1R39 K43 E65 L66 A67R39-D69 WeakPolarHBondContact CG-OD2 3.46Å; R39-D69 IonicContact CZ-OD1 3.29Å; R39-D69 IonicContact CZ-OD2 3.08Å; R39-D69 IonicContact NE-OD1 3.72Å; R39-D69 PolarHBondContact NE-OD1 3.44Å; R39-D69 IonicContact NE-OD2 2.7Å; R39-D69 PolarHBondContact NE-OD2 3.38Å; R39-D69 IonicContact NH2-OD1 3.6Å; R39-D69 PolarHBondContact NH2-OD1 3.32Å; R39-D69 IonicContact NH2-OD2 3.52Å; R39-D69 PolarHBondContact NH2-OD2 3.23Å; K43-D69 WeakPolarHBondContact CD-O 3.33Å; E65-D69 PolarHBondContact O-N 3.27Å; E65-D69 VanDerWaalsContact O-N 3.12Å; L66-D69 PolarHBondContact O-N 3.3Å; A67-D69 PolarHBondContact O-N 2.63Å
70G98.2Very high98.4Very high25 Ų2529.6 Ų29.626%0.25815%0.15SC..THydrogen-bonded Turntrans87.713.8176.800000114.7K43 L66 A67 S68K43-G70 PolarHBondContact NZ-O 3.49Å; L66-G70 PolarHBondContact O-N 2.88Å; A67-G70 VanDerWaalsContact O-CA 3.29Å; A67-G70 WeakPolarHBondContact O-CA 3.49Å; A67-G70 PolarHBondContact O-N 2.84Å; S68-G70 PolarHBondContact O-N 3.22Å
71L98.8Very high98.4Very high1 Ų134.8 Ų34.81%0.00518%0.175CC..  trans-79.2144.3176.7-64.9167000110.7L42 K43 G46 A49 L66 I73 V96 A125L42-L71 HydrophobicContact CB-CD1 4.09Å; K43-L71 HydrophobicContact CD-CD2 4.49Å; G46-L71 VanDerWaalsContact O-CD2 3.31Å; G46-L71 WeakPolarHBondContact O-CD2 3.48Å; A49-L71 HydrophobicContact CB-CB 4.34Å; A49-L71 HydrophobicContact CB-CD1 4.17Å; L66-L71 HydrophobicContact CB-CD1 4.18Å; L66-L71 HydrophobicContact CD2-CD1 3.84Å; L66-L71 WeakPolarHBondContact O-CB 3.22Å; L66-L71 PolarHBondContact O-N 2.73Å; L66-L71 VanDerWaalsContact O-N 3.15Å; L71-I73 HydrophobicContact CB-CD1 4.23Å; L71-I73 WeakPolarHBondContact O-CD1 3.39Å; L71-V96 WeakPolarHBondContact O-CB 3.24Å; L71-V96 WeakPolarHBondContact O-CG2 3.41Å; L71-A125 HydrophobicContact CD1-CB 4.23Å; L71-A125 HydrophobicContact CD2-CB 3.68Å
72K98.9Very high98.4Very high69 Ų6939.2 Ų39.230%0.319%0.193SC..EExtended strand (participates in β ladder)trans-72143.3166.8-61.2-174.1176.6-167.80109.2V47 W48 A49 E97V47-K72 HydrophobicContact CG1-CB 4.4Å; V47-K72 HydrophobicContact CG1-CD 3.61Å; V47-K72 HydrophobicContact CG1-CG 3.89Å; V47-K72 PolarHBondContact O-N 3.13Å; W48-K72 CarbonylContact C-O 3.52Å; W48-K72 VanDerWaalsContact CA-O 3.31Å; W48-K72 WeakPolarHBondContact CA-O 3.36Å; W48-K72 HydrophobicContact CD2-CB 3.53Å; W48-K72 HydrophobicContact CD2-CD 4.31Å; W48-K72 HydrophobicContact CE3-CB 3.47Å; W48-K72 VanDerWaalsContact CE3-CB 3.47Å; W48-K72 HydrophobicContact CG-CB 4.2Å; W48-K72 HydrophobicContact CH2-CB 3.83Å; W48-K72 HydrophobicContact CH2-CD 4.02Å; W48-K72 HydrophobicContact CZ2-CB 3.92Å; W48-K72 HydrophobicContact CZ2-CD 3.49Å; W48-K72 VanDerWaalsContact CZ2-CD 3.49Å; W48-K72 HydrophobicContact CZ2-CG 4.35Å; W48-K72 HydrophobicContact CZ3-CB 3.62Å; A49-K72 PolarHBondContact N-O 3.47Å; K72-E97 CarbonylContact C-O 3.51Å; K72-E97 VanDerWaalsContact CA-O 3.3Å; K72-E97 WeakPolarHBondContact CA-O 3.34Å; K72-E97 HydrophobicContact CB-CB 4.48Å; K72-E97 WeakPolarHBondContact CB-O 3.41Å; K72-E97 HydrophobicContact CD-CB 3.81Å; K72-E97 HydrophobicContact CD-CG 4.45Å; K72-E97 WeakPolarHBondContact CE-OE2 3.45Å; K72-E97 HydrophobicContact CG-CB 4.01Å; K72-E97 IonicContact NZ-OE2 3.88Å; K72-E97 PolarHBondContact NZ-OE2 2.76Å
73I98.9Very high98.4Very high0 Ų039.2 Ų39.20%019%0.193CC..EExtended strand (participates in β ladder)trans-117.2121.7-171-47.8-58.8000112A49 V51 A63 L66 A67 L71 L75 I90 E97 T98 R99A49-I73 HydrophobicContact CB-CD1 3.92Å; A49-I73 CarbonylContact O-C 3.53Å; A49-I73 WeakPolarHBondContact O-CA 3.4Å; V51-I73 HydrophobicContact CG2-CG2 4.41Å; A63-I73 HydrophobicContact CB-CG2 4.03Å; L66-I73 HydrophobicContact CB-CD1 3.92Å; A67-I73 HydrophobicContact CB-CD1 4.16Å; A67-I73 HydrophobicContact CB-CG1 3.85Å; L71-I73 HydrophobicContact CB-CD1 4.23Å; L71-I73 WeakPolarHBondContact O-CD1 3.39Å; I73-L75 HydrophobicContact CG2-CD2 3.59Å; I73-L75 HydrophobicContact CG2-CG 3.92Å; I73-I90 HydrophobicContact CG1-CG2 4.26Å; I73-E97 PolarHBondContact N-O 3.49Å; I73-T98 HydrophobicContact CB-CG2 4.39Å; I73-T98 CarbonylContact O-C 3.6Å; I73-T98 WeakPolarHBondContact O-CA 3.25Å; I73-R99 PolarHBondContact O-N 3.06Å
74M98.9Very high98.4Very high1 Ų143.1 Ų43.11%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-91.4112.9162.8177.5178.5-80.400109.6W48 A49 I50 V51 I76 R99 V101 A117 I118 L121W48-M74 HydrophobicContact CE3-CB 4.4Å; A49-M74 PolarHBondContact O-N 3.45Å; I50-M74 HydrophobicContact CB-CB 4.48Å; I50-M74 HydrophobicContact CG1-CB 4.12Å; I50-M74 HydrophobicContact CG1-SD 4.14Å; I50-M74 HydrophobicContact CG2-CB 4.45Å; I50-M74 HydrophobicContact CG2-CG 4.33Å; I50-M74 HydrophobicContact CG2-SD 4.16Å; V51-M74 PolarHBondContact N-O 3.26Å; M74-I76 HydrophobicContact CG-CD1 4.4Å; M74-I76 HydrophobicContact CG-CG1 4.09Å; M74-I76 HydrophobicContact SD-CD1 4.19Å; M74-I76 HydrophobicContact SD-CG1 4.5Å; M74-R99 CarbonylContact C-O 3.17Å; M74-R99 VanDerWaalsContact CA-O 3.3Å; M74-R99 WeakPolarHBondContact CA-O 3.31Å; M74-V101 HydrophobicContact CE-CG2 4.49Å; M74-V101 HydrophobicContact CG-CG2 4.4Å; M74-V101 HydrophobicContact SD-CG2 4.33Å; M74-A117 HydrophobicContact CE-CB 3.83Å; M74-A117 WeakPolarHBondContact CE-O 3.13Å; M74-I118 HydrophobicContact SD-CG1 4.13Å; M74-L121 HydrophobicContact CB-CD1 4.48Å; M74-L121 HydrophobicContact CE-CD1 3.67Å; M74-L121 HydrophobicContact CE-CD2 3.65Å; M74-L121 HydrophobicContact CE-CG 3.78Å; M74-L121 HydrophobicContact SD-CD1 4.05Å
75L98.9Very high98.3Very high0 Ų047.6 Ų47.60%023%0.232CC..EExtended strand (participates in β ladder)trans-97121-179.2-59163.1000109.6A54 A63 I73 L83 V86 A87 I90 R99 I100 V101A54-L75 HydrophobicContact CB-CB 4.13Å; A54-L75 HydrophobicContact CB-CD2 3.46Å; A54-L75 VanDerWaalsContact CB-CD2 3.46Å; A54-L75 HydrophobicContact CB-CG 4.42Å; A63-L75 HydrophobicContact CB-CD2 3.69Å; I73-L75 HydrophobicContact CG2-CD2 3.59Å; I73-L75 HydrophobicContact CG2-CG 3.92Å; L75-L83 HydrophobicContact CB-CD2 3.58Å; L75-V86 HydrophobicContact CD1-CG1 4.21Å; L75-V86 HydrophobicContact CD2-CG1 4.24Å; L75-A87 HydrophobicContact CD1-CB 3.81Å; L75-I90 HydrophobicContact CD1-CD1 4.38Å; L75-I90 HydrophobicContact CD2-CD1 4Å; L75-R99 PolarHBondContact N-O 3.36Å; L75-I100 HydrophobicContact CB-CG2 4.38Å; L75-I100 HydrophobicContact CD1-CG2 4.29Å; L75-I100 CarbonylContact O-C 3.56Å; L75-I100 WeakPolarHBondContact O-CA 3.43Å; L75-V101 PolarHBondContact O-N 3.34Å
76I98.8Very high98.3Very high0 Ų046.6 Ų46.60%023%0.228CC..EExtended strand (participates in β ladder)trans-119.2121.8178-46.1-176.2000109.6I50 V51 T52 G53 A54 M74 V101 A103 F105 I114 M166I50-I76 HydrophobicContact CG2-CD1 3.73Å; I50-I76 HydrophobicContact CG2-CG1 4.32Å; V51-I76 PolarHBondContact O-N 3.29Å; T52-I76 CarbonylContact C-O 3.55Å; T52-I76 HydrophobicContact CG2-CB 4.43Å; T52-I76 HydrophobicContact CG2-CD1 4.46Å; G53-I76 PolarHBondContact N-O 2.97Å; A54-I76 PolarHBondContact N-O 3.43Å; M74-I76 HydrophobicContact CG-CD1 4.4Å; M74-I76 HydrophobicContact CG-CG1 4.09Å; M74-I76 HydrophobicContact SD-CD1 4.19Å; M74-I76 HydrophobicContact SD-CG1 4.5Å; I76-V101 WeakPolarHBondContact CA-O 3.1Å; I76-V101 HydrophobicContact CG1-CB 4.15Å; I76-V101 HydrophobicContact CG2-CB 4.26Å; I76-V101 WeakPolarHBondContact CG2-O 3.49Å; I76-A103 HydrophobicContact CG2-CB 3.84Å; I76-F105 HydrophobicContact CB-CZ 4.47Å; I76-F105 HydrophobicContact CG2-CE2 3.73Å; I76-F105 HydrophobicContact CG2-CZ 3.62Å; I76-I114 HydrophobicContact CD1-CG2 4Å; I76-I114 HydrophobicContact CG2-CD1 4.35Å; I76-M166 HydrophobicContact CD1-CE 3.79Å
77S98.3Very high98.3Very high11 Ų1146.8 Ų46.88%0.07723%0.23CC..EExtended strand (participates in β ladder)trans-162.3176.4178.1-164.20000110.9T55 L83 V101 T102 A103T55-S77 VanDerWaalsContact CG2-CB 3.47Å; T55-S77 PolarHBondContact OG1-OG 3.15Å; S77-L83 WeakPolarHBondContact O-CD1 3.4Å; S77-V101 PolarHBondContact N-O 3.3Å; S77-T102 CarbonylContact O-C 3.56Å; S77-T102 VanDerWaalsContact O-CA 3.31Å; S77-T102 WeakPolarHBondContact O-CA 3.24Å; S77-A103 CarbonylContact C-O 3.43Å; S77-A103 PolarHBondContact O-N 3.18Å
78R96.4Very high98.3Very high127 Ų12751.1 Ų51.148%0.47925%0.253SS..SBendtrans-84.4-28.9-173.1-68.9-177-59.7167.82.9114.8T102 A103 D104R78-T102 WeakPolarHBondContact O-CG2 3.47Å; R78-A103 WeakPolarHBondContact CG-O 3.47Å; R78-D104 WeakPolarHBondContact CD-OD1 3.27Å; R78-D104 HydrophobicContact CG-CB 3.91Å; R78-D104 IonicContact NH1-OD1 3.07Å
79N96.8Very high98.4Very high66 Ų6651 Ų5135%0.35325%0.246SC..  trans-106.7109-171.9-177.8-53.9000109E81 K82 L83N79-E81 WeakPolarHBondContact OD1-CB 3.24Å; N79-E81 PolarHBondContact OD1-N 2.93Å; N79-K82 HydrophobicContact CB-CB 4.19Å; N79-K82 HydrophobicContact CB-CD 4.3Å; N79-K82 HydrophobicContact CB-CG 4.29Å; N79-K82 PolarHBondContact O-N 2.83Å; N79-K82 PolarHBondContact OD1-N 3.48Å; N79-L83 WeakPolarHBondContact O-CG 3.18Å; N79-L83 PolarHBondContact O-N 3.26Å
80E97.8Very high98.4Very high103 Ų10349 Ų4948%0.48124%0.235SC..Hα-helixtrans-63.3-41.1-176.8-174.2164.4-17300112.9K82 L83 L84 T102E80-K82 PolarHBondContact O-N 3.4Å; E80-L83 WeakPolarHBondContact O-CB 3.44Å; E80-L83 PolarHBondContact O-N 3.41Å; E80-L83 VanDerWaalsContact O-N 3.13Å; E80-L84 HydrophobicContact CG-CD1 4.28Å; E80-L84 WeakPolarHBondContact O-CG 3.34Å; E80-L84 PolarHBondContact O-N 3.42Å; E80-T102 HydrophobicContact CB-CG2 4.25Å
81E98.2Very high98.4Very high155 Ų15551.1 Ų51.172%0.72424%0.238SC*.Hα-helixtrans-60.5-45.4177.2-173-168.9165.900111.6N79 L83 L84 K85N79-E81 WeakPolarHBondContact OD1-CB 3.24Å; N79-E81 PolarHBondContact OD1-N 2.93Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3Å; E81-L84 PolarHBondContact O-N 2.86Å; E81-K85 PolarHBondContact O-N 2.84Å
82K98.1Very high98.4Very high102 Ų10255.3 Ų55.344%0.44327%0.267SS..Hα-helixtrans-65.9-35.4175.2-70.4-173.1179.1-173.50112.1T55 N79 E80 V86T55-K82 HydrophobicContact CG2-CB 3.85Å; N79-K82 HydrophobicContact CB-CB 4.19Å; N79-K82 HydrophobicContact CB-CD 4.3Å; N79-K82 HydrophobicContact CB-CG 4.29Å; N79-K82 PolarHBondContact O-N 2.83Å; N79-K82 PolarHBondContact OD1-N 3.48Å; E80-K82 PolarHBondContact O-N 3.4Å; K82-V86 WeakPolarHBondContact O-CB 3.42Å; K82-V86 VanDerWaalsContact O-CG2 3.32Å; K82-V86 WeakPolarHBondContact O-CG2 3.3Å; K82-V86 PolarHBondContact O-N 2.91Å
83L98.6Very high98.4Very high0 Ų057 Ų570%028%0.279CS..Hα-helixtrans-62.6-50.3175.1-81.5167.8000110.9T55 L75 S77 N79 E80 E81 K85 V86 A87 I100T55-L83 HydrophobicContact CG2-CB 4.31Å; T55-L83 HydrophobicContact CG2-CD2 3.63Å; T55-L83 HydrophobicContact CG2-CG 3.66Å; L75-L83 HydrophobicContact CB-CD2 3.58Å; S77-L83 WeakPolarHBondContact O-CD1 3.4Å; N79-L83 WeakPolarHBondContact O-CG 3.18Å; N79-L83 PolarHBondContact O-N 3.26Å; E80-L83 WeakPolarHBondContact O-CB 3.44Å; E80-L83 PolarHBondContact O-N 3.41Å; E80-L83 VanDerWaalsContact O-N 3.13Å; E81-L83 VanDerWaalsContact C-N 3.32Å; E81-L83 PolarHBondContact O-N 3Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.25Å; L83-V86 PolarHBondContact O-N 2.92Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.77Å; L83-I100 HydrophobicContact CB-CB 4.18Å; L83-I100 HydrophobicContact CB-CD1 4.31Å; L83-I100 HydrophobicContact CB-CG2 4.07Å; L83-I100 HydrophobicContact CD1-CB 4.47Å
84L98.6Very high98.4Very high81 Ų8160.5 Ų60.542%0.42429%0.293SS..Hα-helixtrans-58.7-43.2177.6-72.3167.2000111.6E80 E81 A87 N88 I100E80-L84 HydrophobicContact CG-CD1 4.28Å; E80-L84 WeakPolarHBondContact O-CG 3.34Å; E80-L84 PolarHBondContact O-N 3.42Å; E81-L84 PolarHBondContact O-N 2.86Å; L84-A87 PolarHBondContact O-N 3.25Å; L84-N88 WeakPolarHBondContact O-CB 3.46Å; L84-N88 PolarHBondContact O-N 3.01Å; L84-N88 PolarHBondContact O-ND2 2.64Å; L84-I100 HydrophobicContact CD2-CD1 3.57Å; L84-I100 HydrophobicContact CG-CD1 3.82Å
85K98.6Very high98.3Very high130 Ų13068.2 Ų68.257%0.56533%0.328SS*.Hα-helixtrans-59.6-50175.9-178.7177.5176.4175.50112.1E81 L83 N88 E89E81-K85 PolarHBondContact O-N 2.84Å; L83-K85 VanDerWaalsContact C-N 3.31Å; L83-K85 PolarHBondContact O-N 3.25Å; K85-N88 PolarHBondContact O-N 2.93Å; K85-E89 WeakPolarHBondContact CE-OE1 3.42Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 2.92Å
86V98.6Very high98.3Very high5 Ų569.1 Ų69.13%0.0333%0.334CS..Hα-helixtrans-69.1-36.9-178171.30000111.7K60 L75 K82 L83 E89 I90K60-V86 HydrophobicContact CD-CG2 4.13Å; K60-V86 HydrophobicContact CG-CG1 4.33Å; L75-V86 HydrophobicContact CD1-CG1 4.21Å; L75-V86 HydrophobicContact CD2-CG1 4.24Å; K82-V86 WeakPolarHBondContact O-CB 3.42Å; K82-V86 VanDerWaalsContact O-CG2 3.32Å; K82-V86 WeakPolarHBondContact O-CG2 3.3Å; K82-V86 PolarHBondContact O-N 2.91Å; L83-V86 PolarHBondContact O-N 2.92Å; V86-E89 PolarHBondContact O-N 3.46Å; V86-I90 HydrophobicContact CG1-CD1 3.94Å; V86-I90 WeakPolarHBondContact O-CG1 3.27Å; V86-I90 PolarHBondContact O-N 3.43Å
87A98.8Very high98.3Very high4 Ų472.5 Ų72.53%0.03335%0.35CS..Hα-helixtrans-55.2-56.7171.300000110.6L75 L83 L84 E89 I90 E91 T98 I100L75-A87 HydrophobicContact CD1-CB 3.81Å; L83-A87 VanDerWaalsContact O-CB 3.24Å; L83-A87 WeakPolarHBondContact O-CB 3.41Å; L83-A87 PolarHBondContact O-N 2.77Å; L84-A87 PolarHBondContact O-N 3.25Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 2.78Å; A87-I90 PolarHBondContact O-N 2.92Å; A87-E91 WeakPolarHBondContact O-CG 3.46Å; A87-E91 PolarHBondContact O-N 3.29Å; A87-T98 VanDerWaalsContact CB-OG1 3.32Å; A87-T98 WeakPolarHBondContact CB-OG1 3.44Å; A87-I100 HydrophobicContact CB-CG2 3.87Å
88N98.7Very high98.3Very high91 Ų9172.7 Ų72.749%0.48735%0.351SS..Hα-helixtrans-57.6-43.4178.6-68.8-20.6000112.4L84 K85 I90 E91 C92L84-N88 WeakPolarHBondContact O-CB 3.46Å; L84-N88 PolarHBondContact O-N 3.01Å; L84-N88 PolarHBondContact O-ND2 2.64Å; K85-N88 PolarHBondContact O-N 2.93Å; N88-I90 VanDerWaalsContact C-N 3.31Å; N88-I90 PolarHBondContact O-N 3.18Å; N88-E91 PolarHBondContact O-N 2.9Å; N88-C92 VanDerWaalsContact O-CB 3.3Å; N88-C92 WeakPolarHBondContact O-CB 3.38Å; N88-C92 PolarHBondContact O-N 3.35Å; N88-C92 PolarHBondContact O-SG 2.98Å
89E98.6Very high98.4Very high56 Ų5670.4 Ų70.426%0.26234%0.342SS..Hα-helixtrans-58.7-41.9176-75171.9-173.200111.9K60 K85 V86 A87 N93K60-E89 WeakPolarHBondContact CE-OE2 3.4Å; K60-E89 IonicContact NZ-OE2 3.22Å; K60-E89 PolarHBondContact NZ-OE2 3.13Å; K85-E89 WeakPolarHBondContact CE-OE1 3.42Å; K85-E89 WeakPolarHBondContact O-CG 3.29Å; K85-E89 PolarHBondContact O-N 2.92Å; V86-E89 PolarHBondContact O-N 3.46Å; A87-E89 VanDerWaalsContact C-N 3.33Å; A87-E89 PolarHBondContact O-N 2.78Å; E89-N93 VanDerWaalsContact O-CB 3.25Å; E89-N93 WeakPolarHBondContact O-CB 3.41Å; E89-N93 PolarHBondContact O-N 2.98Å; E89-N93 VanDerWaalsContact O-N 3.08Å; E89-N93 PolarHBondContact O-ND2 2.8Å
90I98.8Very high98.5Very high1 Ų169.7 Ų69.71%0.00534%0.337CS..Hα-helixtrans-69.2-46.7179-75.1171000111.4A63 E64 A67 I73 L75 V86 A87 N88 C92 N93 Y94 V96 T98A63-I90 HydrophobicContact CB-CD1 3.86Å; E64-I90 HydrophobicContact CG-CG1 4.32Å; A67-I90 HydrophobicContact CB-CG2 3.61Å; I73-I90 HydrophobicContact CG1-CG2 4.26Å; L75-I90 HydrophobicContact CD1-CD1 4.38Å; L75-I90 HydrophobicContact CD2-CD1 4Å; V86-I90 HydrophobicContact CG1-CD1 3.94Å; V86-I90 WeakPolarHBondContact O-CG1 3.27Å; V86-I90 PolarHBondContact O-N 3.43Å; A87-I90 PolarHBondContact O-N 2.92Å; N88-I90 VanDerWaalsContact C-N 3.31Å; N88-I90 PolarHBondContact O-N 3.18Å; I90-C92 VanDerWaalsContact C-N 3.34Å; I90-C92 PolarHBondContact O-N 3.38Å; I90-N93 PolarHBondContact O-N 3.37Å; I90-Y94 HydrophobicContact CB-CD2 4.41Å; I90-Y94 HydrophobicContact CG1-CD2 4.45Å; I90-Y94 HydrophobicContact CG2-CD2 4.22Å; I90-Y94 WeakPolarHBondContact O-CB 3.43Å; I90-Y94 WeakPolarHBondContact O-CD2 3.3Å; I90-Y94 PolarHBondContact O-N 3.48Å; I90-V96 HydrophobicContact CG2-CG2 3.68Å; I90-T98 HydrophobicContact CB-CG2 4.02Å; I90-T98 HydrophobicContact CG2-CG2 3.57Å
91E98.7Very high98.6Very high71 Ų7165 Ų6533%0.33232%0.316SS..Hα-helixtrans-62.3-42.4-180-64.3-171.3164.600111.4A87 N88 H95 V96 T98A87-E91 WeakPolarHBondContact O-CG 3.46Å; A87-E91 PolarHBondContact O-N 3.29Å; N88-E91 PolarHBondContact O-N 2.9Å; E91-H95 VanDerWaalsContact O-CA 3.29Å; E91-H95 WeakPolarHBondContact O-CA 3.2Å; E91-H95 PolarHBondContact O-N 2.85Å; E91-V96 WeakPolarHBondContact CG-O 3.49Å; E91-T98 VanDerWaalsContact CD-OG1 3.3Å; E91-T98 HydrophobicContact CG-CG2 3.6Å; E91-T98 WeakPolarHBondContact OE1-CB 3.38Å; E91-T98 PolarHBondContact OE1-N 3.49Å; E91-T98 PolarHBondContact OE1-OG1 2.86Å
92C98.4Very high98.6Very high89 Ų8959 Ų5960%0.60129%0.29SS*.Hα-helixtrans-67.7-42.2177.9-710000113.1N88 I90 H95N88-C92 VanDerWaalsContact O-CB 3.3Å; N88-C92 WeakPolarHBondContact O-CB 3.38Å; N88-C92 PolarHBondContact O-N 3.35Å; N88-C92 PolarHBondContact O-SG 2.98Å; I90-C92 VanDerWaalsContact C-N 3.34Å; I90-C92 PolarHBondContact O-N 3.38Å; C92-H95 PolarHBondContact O-CE1 3.26Å
93N98.5Very high98.6Very high103 Ų10354.3 Ų54.355%0.55127%0.27SS*.Hα-helixtrans-85.2-31.1-172.5-69.3-30.5000113.8E89 I90E89-N93 VanDerWaalsContact O-CB 3.25Å; E89-N93 WeakPolarHBondContact O-CB 3.41Å; E89-N93 PolarHBondContact O-N 2.98Å; E89-N93 VanDerWaalsContact O-N 3.08Å; E89-N93 PolarHBondContact O-ND2 2.8Å; I90-N93 PolarHBondContact O-N 3.37Å
94Y98.4Very high98.5Very high74 Ų7456.9 Ų56.929%0.2928%0.284SS..Hα-helixtrans-120-7-171.6-53.5-67.8000113.7E64 A67 I90 V96E64-Y94 HydrophobicContact CB-CE2 4Å; E64-Y94 HydrophobicContact CG-CE2 4.17Å; A67-Y94 HydrophobicContact CB-CD2 3.61Å; A67-Y94 HydrophobicContact CB-CE2 4.32Å; A67-Y94 HydrophobicContact CB-CG 3.88Å; I90-Y94 HydrophobicContact CB-CD2 4.41Å; I90-Y94 HydrophobicContact CG1-CD2 4.45Å; I90-Y94 HydrophobicContact CG2-CD2 4.22Å; I90-Y94 WeakPolarHBondContact O-CB 3.43Å; I90-Y94 WeakPolarHBondContact O-CD2 3.3Å; I90-Y94 PolarHBondContact O-N 3.48Å; Y94-V96 VanDerWaalsContact C-N 3.27Å; Y94-V96 PolarHBondContact O-N 3.09Å
95H98.3Very high98.5Very high163 Ų16353.1 Ų53.176%0.75526%0.264SS*.  trans5738.4176.1-49.9-49.9000113.7E91 C92E91-H95 VanDerWaalsContact O-CA 3.29Å; E91-H95 WeakPolarHBondContact O-CA 3.2Å; E91-H95 PolarHBondContact O-N 2.85Å; C92-H95 PolarHBondContact O-CE1 3.26Å
96V98.6Very high98.5Very high19 Ų1947.5 Ų47.512%0.11524%0.241CC..  trans-111.9154.8173.6-61.20000110A67 L71 I90 E91 Y94A67-V96 HydrophobicContact CB-CG2 3.78Å; L71-V96 WeakPolarHBondContact O-CB 3.24Å; L71-V96 WeakPolarHBondContact O-CG2 3.41Å; I90-V96 HydrophobicContact CG2-CG2 3.68Å; E91-V96 WeakPolarHBondContact CG-O 3.49Å; Y94-V96 VanDerWaalsContact C-N 3.27Å; Y94-V96 PolarHBondContact O-N 3.09Å
97E98.7Very high98.4Very high71 Ų7150.8 Ų50.833%0.33226%0.258SS..  trans-73.2141.7173.1179.3-171.2151.500110.4W48 K72 I73 R99W48-E97 HydrophobicContact CH2-CB 4.41Å; W48-E97 HydrophobicContact CH2-CG 3.83Å; W48-E97 VanDerWaalsContact CH2-OE1 3.23Å; W48-E97 WeakPolarHBondContact CH2-OE1 3.3Å; W48-E97 HydrophobicContact CZ2-CG 4.38Å; W48-E97 VanDerWaalsContact CZ2-OE1 3.27Å; W48-E97 WeakPolarHBondContact CZ2-OE1 3.35Å; K72-E97 CarbonylContact C-O 3.51Å; K72-E97 VanDerWaalsContact CA-O 3.3Å; K72-E97 WeakPolarHBondContact CA-O 3.34Å; K72-E97 HydrophobicContact CB-CB 4.48Å; K72-E97 WeakPolarHBondContact CB-O 3.41Å; K72-E97 HydrophobicContact CD-CB 3.81Å; K72-E97 HydrophobicContact CD-CG 4.45Å; K72-E97 WeakPolarHBondContact CE-OE2 3.45Å; K72-E97 HydrophobicContact CG-CB 4.01Å; K72-E97 IonicContact NZ-OE2 3.88Å; K72-E97 PolarHBondContact NZ-OE2 2.76Å; I73-E97 PolarHBondContact N-O 3.49Å; E97-R99 IonicContact OE1-CZ 2.79Å; E97-R99 IonicContact OE1-NE 2.87Å; E97-R99 PolarHBondContact OE1-NE 2.96Å; E97-R99 IonicContact OE1-NH2 3.43Å; E97-R99 PolarHBondContact OE1-NH2 3.42Å
98T98.8Very high98.3Very high16 Ų1654.6 Ų54.610%0.09828%0.277CS..EExtended strand (participates in β ladder)trans-117.2155.5169.270.20000112.7I73 A87 I90 E91I73-T98 HydrophobicContact CB-CG2 4.39Å; I73-T98 CarbonylContact O-C 3.6Å; I73-T98 WeakPolarHBondContact O-CA 3.25Å; A87-T98 VanDerWaalsContact CB-OG1 3.32Å; A87-T98 WeakPolarHBondContact CB-OG1 3.44Å; I90-T98 HydrophobicContact CB-CG2 4.02Å; I90-T98 HydrophobicContact CG2-CG2 3.57Å; E91-T98 VanDerWaalsContact CD-OG1 3.3Å; E91-T98 HydrophobicContact CG-CG2 3.6Å; E91-T98 WeakPolarHBondContact OE1-CB 3.38Å; E91-T98 PolarHBondContact OE1-N 3.49Å; E91-T98 PolarHBondContact OE1-OG1 2.86Å
99R98.6Very high98.2Very high79 Ų7956.6 Ų56.630%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-131.8142.6167.2-74.2179-170.8-168.44108.8W48 I73 M74 L75 E97 Q120W48-R99 HydrophobicContact CH2-CB 4.31Å; W48-R99 HydrophobicContact CH2-CG 3.61Å; W48-R99 HydrophobicContact CZ3-CB 4.1Å; W48-R99 HydrophobicContact CZ3-CG 3.91Å; I73-R99 PolarHBondContact O-N 3.06Å; M74-R99 CarbonylContact C-O 3.17Å; M74-R99 VanDerWaalsContact CA-O 3.3Å; M74-R99 WeakPolarHBondContact CA-O 3.31Å; L75-R99 PolarHBondContact N-O 3.36Å; E97-R99 IonicContact OE1-CZ 2.79Å; E97-R99 IonicContact OE1-NE 2.87Å; E97-R99 PolarHBondContact OE1-NE 2.96Å; E97-R99 IonicContact OE1-NH2 3.43Å; E97-R99 PolarHBondContact OE1-NH2 3.42Å; R99-Q120 PolarHBondContact NH1-O 3.5Å
100I98.7Very high98.1Very high50 Ų5055.2 Ų55.226%0.25628%0.283SS..EExtended strand (participates in β ladder)trans-113.8143.8178.567.9169.1000111L75 L83 L84 A87L75-I100 HydrophobicContact CB-CG2 4.38Å; L75-I100 HydrophobicContact CD1-CG2 4.29Å; L75-I100 CarbonylContact O-C 3.56Å; L75-I100 WeakPolarHBondContact O-CA 3.43Å; L83-I100 HydrophobicContact CB-CB 4.18Å; L83-I100 HydrophobicContact CB-CD1 4.31Å; L83-I100 HydrophobicContact CB-CG2 4.07Å; L83-I100 HydrophobicContact CD1-CB 4.47Å; L84-I100 HydrophobicContact CD2-CD1 3.57Å; L84-I100 HydrophobicContact CG-CD1 3.82Å; A87-I100 HydrophobicContact CB-CG2 3.87Å
101V98.6Very high98.1Very high4 Ų456 Ų562%0.02429%0.286CS..EExtended strand (participates in β ladder)trans-131.9113.8168.9-174.30000108.5M74 L75 I76 S77 A103 R113 I114 A117M74-V101 HydrophobicContact CE-CG2 4.49Å; M74-V101 HydrophobicContact CG-CG2 4.4Å; M74-V101 HydrophobicContact SD-CG2 4.33Å; L75-V101 PolarHBondContact O-N 3.34Å; I76-V101 WeakPolarHBondContact CA-O 3.1Å; I76-V101 HydrophobicContact CG1-CB 4.15Å; I76-V101 HydrophobicContact CG2-CB 4.26Å; I76-V101 WeakPolarHBondContact CG2-O 3.49Å; S77-V101 PolarHBondContact N-O 3.3Å; V101-A103 PolarHBondContact O-N 2.92Å; V101-R113 HydrophobicContact CG1-CG 4.43Å; V101-I114 HydrophobicContact CG1-CG1 3.95Å; V101-A117 HydrophobicContact CG2-CB 3.62Å
102T98.4Very high98Very high31 Ų3156.1 Ų56.119%0.1930%0.295CS..EExtended strand (participates in β ladder)trans-76.6115.3173.3-52.20000109.3S77 R78 E80 R113S77-T102 CarbonylContact O-C 3.56Å; S77-T102 VanDerWaalsContact O-CA 3.31Å; S77-T102 WeakPolarHBondContact O-CA 3.24Å; R78-T102 WeakPolarHBondContact O-CG2 3.47Å; E80-T102 HydrophobicContact CB-CG2 4.25Å; T102-R113 PolarHBondContact O-NH1 2.67Å
103A98.2Very high98Very high3 Ų358.1 Ų58.13%0.02529%0.29CS..  trans-147.5127.7-17800000112.4I76 S77 R78 V101 F105 V110 I114I76-A103 HydrophobicContact CG2-CB 3.84Å; S77-A103 CarbonylContact C-O 3.43Å; S77-A103 PolarHBondContact O-N 3.18Å; R78-A103 WeakPolarHBondContact CG-O 3.47Å; V101-A103 PolarHBondContact O-N 2.92Å; A103-F105 HydrophobicContact CB-CE2 4.44Å; A103-V110 HydrophobicContact CB-CB 4Å; A103-V110 HydrophobicContact CB-CG1 4.41Å; A103-V110 HydrophobicContact CB-CG2 4.25Å; A103-I114 HydrophobicContact CB-CD1 3.8Å; A103-I114 HydrophobicContact CB-CG1 4.2Å
104D97.9Very high98Very high53 Ų5353.2 Ų53.228%0.28326%0.264SS..  trans-95.9103.3167.1-165.7-5.5000112.5R78 T106 N107 V110R78-D104 WeakPolarHBondContact CD-OD1 3.27Å; R78-D104 HydrophobicContact CG-CB 3.91Å; R78-D104 IonicContact NH1-OD1 3.07Å; D104-T106 VanDerWaalsContact CG-OG1 3.29Å; D104-T106 PolarHBondContact O-N 2.87Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 PolarHBondContact OD1-N 3.23Å; D104-T106 VanDerWaalsContact OD1-N 3.08Å; D104-T106 PolarHBondContact OD1-OG1 3.32Å; D104-T106 VanDerWaalsContact OD1-OG1 3.09Å; D104-T106 PolarHBondContact OD2-OG1 2.97Å; D104-N107 WeakPolarHBondContact O-CB 3.43Å; D104-N107 PolarHBondContact O-N 2.93Å; D104-V110 WeakPolarHBondContact O-CG1 3.38Å
105F98.2Very high98Very high2 Ų252 Ų521%0.00926%0.261CS..THydrogen-bonded Turntrans-69.41.4-179.5-69.1-74.2000114.5T52 I76 A103 V110 Y111 I114 V131 F157 C158 P162 M166T52-F105 HydrophobicContact CG2-CE2 4.38Å; T52-F105 HydrophobicContact CG2-CZ 3.87Å; I76-F105 HydrophobicContact CB-CZ 4.47Å; I76-F105 HydrophobicContact CG2-CE2 3.73Å; I76-F105 HydrophobicContact CG2-CZ 3.62Å; A103-F105 HydrophobicContact CB-CE2 4.44Å; F105-V110 HydrophobicContact CD1-CG2 4.39Å; F105-Y111 AromaticContact CD1-CE1 3.96Å; F105-Y111 HydrophobicContact CD1-CE1 3.96Å; F105-Y111 AromaticContact CD1-CZ 3.94Å; F105-Y111 AromaticContact CE1-CE1 3.83Å; F105-Y111 HydrophobicContact CE1-CE1 3.83Å; F105-I114 HydrophobicContact CE1-CD1 3.65Å; F105-I114 HydrophobicContact CZ-CD1 3.9Å; F105-V131 HydrophobicContact CB-CG2 4.47Å; F105-V131 HydrophobicContact CD2-CB 4.13Å; F105-V131 HydrophobicContact CD2-CG1 3.88Å; F105-V131 HydrophobicContact CD2-CG2 3.67Å; F105-V131 HydrophobicContact CE2-CB 4.28Å; F105-V131 HydrophobicContact CE2-CG1 4.06Å; F105-V131 HydrophobicContact CE2-CG2 4.23Å; F105-V131 HydrophobicContact CG-CG1 4.11Å; F105-V131 HydrophobicContact CG-CG2 4.35Å; F105-V131 HydrophobicContact CZ-CG1 4.48Å; F105-F157 CarbonylContact O-C 3.52Å; F105-C158 WeakPolarHBondContact O-CA 3.24Å; F105-C158 PolarHBondContact O-N 3.21Å; F105-P162 HydrophobicContact CB-CG 3.68Å; F105-P162 HydrophobicContact CD1-CB 3.87Å; F105-P162 HydrophobicContact CD1-CG 3.47Å; F105-P162 VanDerWaalsContact CD1-CG 3.47Å; F105-P162 HydrophobicContact CE1-CB 4.09Å; F105-P162 HydrophobicContact CE1-CG 4.19Å; F105-P162 HydrophobicContact CG-CB 4.37Å; F105-P162 HydrophobicContact CG-CG 3.72Å; F105-M166 HydrophobicContact CE1-SD 4.34Å
106T97.7Very high98Very high13 Ų1350.2 Ų50.28%0.0825%0.252CS..THydrogen-bonded Turntrans-77.7-7.4161.967.20000112.9D104 M133 N154 F157 C158D104-T106 VanDerWaalsContact CG-OG1 3.29Å; D104-T106 PolarHBondContact O-N 2.87Å; D104-T106 VanDerWaalsContact O-N 3.1Å; D104-T106 PolarHBondContact OD1-N 3.23Å; D104-T106 VanDerWaalsContact OD1-N 3.08Å; D104-T106 PolarHBondContact OD1-OG1 3.32Å; D104-T106 VanDerWaalsContact OD1-OG1 3.09Å; D104-T106 PolarHBondContact OD2-OG1 2.97Å; T106-M133 HydrophobicContact CG2-SD 3.61Å; T106-N154 HydrophobicContact CG2-CB 3.83Å; T106-F157 WeakPolarHBondContact O-CD2 3.32Å; T106-C158 HydrophobicContact CG2-CB 4.16Å
107N97Very high98Very high74 Ų7450.1 Ų50.140%0.39625%0.254SS..SBendtrans-116.7141.4179.7-56.2-58.8000110.7D104 V110D104-N107 WeakPolarHBondContact O-CB 3.43Å; D104-N107 PolarHBondContact O-N 2.93Å; N107-V110 HydrophobicContact CB-CG1 4.3Å; N107-V110 WeakPolarHBondContact O-CG2 3.49Å
108I95.7Very high98Very high84 Ų8446.8 Ų46.843%0.43124%0.238SC..THydrogen-bonded Turntrans-78.1-26-179.8-168.867.5000112.5V110 Y111 L161 I165I108-V110 PolarHBondContact O-N 3.36Å; I108-V110 VanDerWaalsContact O-N 3.13Å; I108-Y111 HydrophobicContact CD1-CD2 4.03Å; I108-Y111 HydrophobicContact CD1-CE2 3.99Å; I108-Y111 WeakPolarHBondContact O-CD2 3.49Å; I108-L161 HydrophobicContact CD1-CD1 4.08Å; I108-I165 HydrophobicContact CD1-CD1 3.9Å
109D96.8Very high97.9Very high132 Ų13249.9 Ų49.971%0.70625%0.254SS*.THydrogen-bonded Turntrans-73.7-8.8-171.4-53.7-45.4000113.7Y111 S112D109-Y111 VanDerWaalsContact C-N 3.3Å; D109-Y111 PolarHBondContact O-N 2.94Å; D109-S112 PolarHBondContact O-OG 3.05Å
110V97.5Very high97.9Very high27 Ų2752.7 Ų52.716%0.16427%0.27CS..Hα-helixtrans-73.4-20.2-177.6-56.70000113.5A103 D104 F105 N107 I108 S112 I114A103-V110 HydrophobicContact CB-CB 4Å; A103-V110 HydrophobicContact CB-CG1 4.41Å; A103-V110 HydrophobicContact CB-CG2 4.25Å; D104-V110 WeakPolarHBondContact O-CG1 3.38Å; F105-V110 HydrophobicContact CD1-CG2 4.39Å; N107-V110 HydrophobicContact CB-CG1 4.3Å; N107-V110 WeakPolarHBondContact O-CG2 3.49Å; I108-V110 PolarHBondContact O-N 3.36Å; I108-V110 VanDerWaalsContact O-N 3.13Å; V110-S112 PolarHBondContact O-N 3.24Å; V110-I114 HydrophobicContact CB-CD1 4.42Å; V110-I114 HydrophobicContact CG2-CD1 4.03Å; V110-I114 WeakPolarHBondContact O-CG1 3.32Å; V110-I114 PolarHBondContact O-N 2.82Å
111Y98.3Very high97.9Very high17 Ų1750.4 Ų50.47%0.06726%0.259CS..Hα-helixtrans-73.5-24.9-171.3-66.4-72.8000114F105 I108 D109 I114 Q115 P162 I165 M166F105-Y111 AromaticContact CD1-CE1 3.96Å; F105-Y111 HydrophobicContact CD1-CE1 3.96Å; F105-Y111 AromaticContact CD1-CZ 3.94Å; F105-Y111 AromaticContact CE1-CE1 3.83Å; F105-Y111 HydrophobicContact CE1-CE1 3.83Å; I108-Y111 HydrophobicContact CD1-CD2 4.03Å; I108-Y111 HydrophobicContact CD1-CE2 3.99Å; I108-Y111 WeakPolarHBondContact O-CD2 3.49Å; D109-Y111 VanDerWaalsContact C-N 3.3Å; D109-Y111 PolarHBondContact O-N 2.94Å; Y111-I114 HydrophobicContact CD1-CD1 4.1Å; Y111-I114 PolarHBondContact O-N 3.4Å; Y111-Q115 WeakPolarHBondContact O-CB 3.24Å; Y111-Q115 PolarHBondContact O-N 3.4Å; Y111-P162 VanDerWaalsContact OH-CA 3.32Å; Y111-P162 WeakPolarHBondContact OH-CA 3.45Å; Y111-P162 WeakPolarHBondContact OH-CD 3.38Å; Y111-P162 WeakPolarHBondContact OH-CG 3.26Å; Y111-P162 VanDerWaalsContact OH-N 3.1Å; Y111-I165 HydrophobicContact CD1-CB 3.98Å; Y111-I165 HydrophobicContact CD1-CD1 4.44Å; Y111-I165 HydrophobicContact CD1-CG2 3.35Å; Y111-I165 HydrophobicContact CD2-CD1 3.62Å; Y111-I165 HydrophobicContact CD2-CG2 4.21Å; Y111-I165 HydrophobicContact CE1-CB 3.77Å; Y111-I165 HydrophobicContact CE1-CD1 4.19Å; Y111-I165 HydrophobicContact CE1-CG2 3.71Å; Y111-I165 HydrophobicContact CE2-CD1 3.38Å; Y111-I165 HydrophobicContact CG-CB 4.42Å; Y111-I165 HydrophobicContact CG-CD1 4.18Å; Y111-I165 HydrophobicContact CG-CG2 3.63Å; Y111-M166 HydrophobicContact CD1-SD 4.4Å; Y111-M166 HydrophobicContact CE1-CG 4.5Å; Y111-M166 HydrophobicContact CE1-SD 4.34Å
112S97.4Very high97.8Very high74 Ų7454.6 Ų54.652%0.51729%0.288SS..Hα-helixtrans-62.1-51.5174.353.40000111D109 V110 I114 Q115 E116D109-S112 PolarHBondContact O-OG 3.05Å; V110-S112 PolarHBondContact O-N 3.24Å; S112-I114 VanDerWaalsContact C-N 3.31Å; S112-I114 PolarHBondContact O-N 3.26Å; S112-Q115 WeakPolarHBondContact O-CB 3.4Å; S112-Q115 PolarHBondContact O-N 3.15Å; S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 2.97Å
113R97.6Very high97.8Very high132 Ų13254.1 Ų54.150%0.49829%0.286SS..Hα-helixtrans-61.3-38.9175.2-177.5-177.5178.9-175.63.4112.3V101 T102 A117V101-R113 HydrophobicContact CG1-CG 4.43Å; T102-R113 PolarHBondContact O-NH1 2.67Å; R113-A117 PolarHBondContact O-N 3.49Å; R113-A117 VanDerWaalsContact O-N 3.12Å
114I98.5Very high97.9Very high0 Ų054 Ų540%029%0.285CS..Hα-helixtrans-64.6-45176.4-67.5166.5000110.5I76 V101 A103 F105 V110 Y111 S112 A117 I118 M166 L169I76-I114 HydrophobicContact CD1-CG2 4Å; I76-I114 HydrophobicContact CG2-CD1 4.35Å; V101-I114 HydrophobicContact CG1-CG1 3.95Å; A103-I114 HydrophobicContact CB-CD1 3.8Å; A103-I114 HydrophobicContact CB-CG1 4.2Å; F105-I114 HydrophobicContact CE1-CD1 3.65Å; F105-I114 HydrophobicContact CZ-CD1 3.9Å; V110-I114 HydrophobicContact CB-CD1 4.42Å; V110-I114 HydrophobicContact CG2-CD1 4.03Å; V110-I114 WeakPolarHBondContact O-CG1 3.32Å; V110-I114 PolarHBondContact O-N 2.82Å; Y111-I114 HydrophobicContact CD1-CD1 4.1Å; Y111-I114 PolarHBondContact O-N 3.4Å; S112-I114 VanDerWaalsContact C-N 3.31Å; S112-I114 PolarHBondContact O-N 3.26Å; I114-A117 PolarHBondContact O-N 3.34Å; I114-I118 HydrophobicContact CG2-CD1 3.57Å; I114-I118 HydrophobicContact CG2-CG1 4.19Å; I114-I118 VanDerWaalsContact O-CG1 3.27Å; I114-I118 WeakPolarHBondContact O-CG1 3.3Å; I114-I118 PolarHBondContact O-N 2.86Å; I114-M166 HydrophobicContact CD1-SD 4.35Å; I114-M166 HydrophobicContact CG2-CE 3.75Å; I114-M166 HydrophobicContact CG2-SD 3.61Å; I114-L169 HydrophobicContact CG2-CD1 4.45Å
115Q98.5Very high97.9Very high49 Ų4951.5 Ų51.523%0.22927%0.272CS..Hα-helixtrans-58.6-48.6177.3179.160.249.500111.1Y111 S112 A117 I118 D119 L169Y111-Q115 WeakPolarHBondContact O-CB 3.24Å; Y111-Q115 PolarHBondContact O-N 3.4Å; S112-Q115 WeakPolarHBondContact O-CB 3.4Å; S112-Q115 PolarHBondContact O-N 3.15Å; Q115-A117 VanDerWaalsContact C-N 3.28Å; Q115-A117 PolarHBondContact O-N 3.46Å; Q115-I118 PolarHBondContact O-N 3.33Å; Q115-I118 VanDerWaalsContact O-N 3.13Å; Q115-D119 PolarHBondContact NE2-OD1 3.16Å; Q115-D119 PolarHBondContact NE2-OD2 2.82Å; Q115-D119 PolarHBondContact O-N 3.29Å; Q115-L169 HydrophobicContact CB-CD1 4.15Å; Q115-L169 VanDerWaalsContact OE1-CG 3.25Å
116E98.4Very high97.9Very high125 Ų12551.4 Ų51.458%0.58427%0.271SS*.Hα-helixtrans-55.3-43.7176.3-72.1172.1-172.200112S112 D119 Q120S112-E116 WeakPolarHBondContact O-CG 3.49Å; S112-E116 PolarHBondContact O-N 2.97Å; E116-D119 PolarHBondContact O-N 2.6Å; E116-Q120 WeakPolarHBondContact O-CG 3.45Å; E116-Q120 PolarHBondContact O-N 2.97Å
117A98.5Very high98Very high17 Ų1750.8 Ų50.814%0.1427%0.267CS..Hα-helixtrans-67.2-40.917800000112.4M74 V101 R113 I114 Q115 D119 Q120M74-A117 HydrophobicContact CE-CB 3.83Å; M74-A117 WeakPolarHBondContact CE-O 3.13Å; V101-A117 HydrophobicContact CG2-CB 3.62Å; R113-A117 PolarHBondContact O-N 3.49Å; R113-A117 VanDerWaalsContact O-N 3.12Å; I114-A117 PolarHBondContact O-N 3.34Å; Q115-A117 VanDerWaalsContact C-N 3.28Å; Q115-A117 PolarHBondContact O-N 3.46Å; A117-D119 VanDerWaalsContact C-N 3.33Å; A117-Q120 PolarHBondContact O-N 3.42Å
118I98.5Very high98.1Very high0 Ų047.2 Ų47.20%025%0.249CC..Hα-helixtrans-64-38.4176.7-71.4171000111.2I50 M74 I114 Q115 Q120 L121 I124 M166 L169 V170 K173I50-I118 HydrophobicContact CD1-CD1 4.34Å; I50-I118 HydrophobicContact CD1-CG1 4Å; I50-I118 HydrophobicContact CD1-CG2 4.5Å; M74-I118 HydrophobicContact SD-CG1 4.13Å; I114-I118 HydrophobicContact CG2-CD1 3.57Å; I114-I118 HydrophobicContact CG2-CG1 4.19Å; I114-I118 VanDerWaalsContact O-CG1 3.27Å; I114-I118 WeakPolarHBondContact O-CG1 3.3Å; I114-I118 PolarHBondContact O-N 2.86Å; Q115-I118 PolarHBondContact O-N 3.33Å; Q115-I118 VanDerWaalsContact O-N 3.13Å; I118-Q120 PolarHBondContact O-N 2.95Å; I118-L121 VanDerWaalsContact O-CB 3.31Å; I118-L121 WeakPolarHBondContact O-CB 3.49Å; I118-L121 WeakPolarHBondContact O-CG 3.29Å; I118-L121 PolarHBondContact O-N 2.86Å; I118-I124 HydrophobicContact CG2-CD1 3.98Å; I118-M166 HydrophobicContact CD1-CE 3.79Å; I118-L169 HydrophobicContact CD1-CB 4.32Å; I118-L169 HydrophobicContact CD1-CD1 4.4Å; I118-V170 HydrophobicContact CD1-CG2 3.91Å; I118-V170 HydrophobicContact CG2-CG2 4.33Å; I118-K173 HydrophobicContact CG2-CD 4.12Å; I118-K173 WeakPolarHBondContact O-CE 3.4Å
119D98.1Very high98.2Very high82 Ų8243.3 Ų43.344%0.43923%0.228SC..Hα-helixtrans-63.9-32.1-179-77.2-31.7000112.5Q115 E116 A117 L121 K173Q115-D119 PolarHBondContact NE2-OD1 3.16Å; Q115-D119 PolarHBondContact NE2-OD2 2.82Å; Q115-D119 PolarHBondContact O-N 3.29Å; E116-D119 PolarHBondContact O-N 2.6Å; A117-D119 VanDerWaalsContact C-N 3.33Å; D119-L121 PolarHBondContact O-N 2.94Å; D119-K173 PolarHBondContact O-NZ 3.24Å
120Q98.1Very high98.3Very high137 Ų13738.1 Ų38.164%0.6420%0.201SC*.THydrogen-bonded Turntrans-72.6-5.3175-63.31755.200114.5R99 E116 A117 I118R99-Q120 PolarHBondContact NH1-O 3.5Å; E116-Q120 WeakPolarHBondContact O-CG 3.45Å; E116-Q120 PolarHBondContact O-N 2.97Å; A117-Q120 PolarHBondContact O-N 3.42Å; I118-Q120 PolarHBondContact O-N 2.95Å
121L98.5Very high98.3Very high3 Ų337.5 Ų37.52%0.01620%0.197CC..  trans-82.8133176.7-56.3-173.6000110.8W48 I50 M74 I118 D119 I124 K173W48-L121 HydrophobicContact CB-CD1 3.99Å; W48-L121 HydrophobicContact CD2-CD1 4.44Å; W48-L121 HydrophobicContact CD2-CD2 3.57Å; W48-L121 HydrophobicContact CD2-CG 4.46Å; W48-L121 HydrophobicContact CE3-CD2 3.93Å; W48-L121 HydrophobicContact CG-CB 4.2Å; W48-L121 HydrophobicContact CG-CD1 4.13Å; W48-L121 HydrophobicContact CG-CD2 3.88Å; W48-L121 HydrophobicContact CG-CG 4.3Å; W48-L121 HydrophobicContact CH2-CD2 4.5Å; W48-L121 HydrophobicContact CZ2-CD2 4.17Å; W48-L121 HydrophobicContact CZ3-CD2 4.38Å; I50-L121 HydrophobicContact CD1-CD1 3.94Å; I50-L121 HydrophobicContact CG1-CD1 3.87Å; M74-L121 HydrophobicContact CB-CD1 4.48Å; M74-L121 HydrophobicContact CE-CD1 3.67Å; M74-L121 HydrophobicContact CE-CD2 3.65Å; M74-L121 HydrophobicContact CE-CG 3.78Å; M74-L121 HydrophobicContact SD-CD1 4.05Å; I118-L121 VanDerWaalsContact O-CB 3.31Å; I118-L121 WeakPolarHBondContact O-CB 3.49Å; I118-L121 WeakPolarHBondContact O-CG 3.29Å; I118-L121 PolarHBondContact O-N 2.86Å; D119-L121 PolarHBondContact O-N 2.94Å; L121-I124 HydrophobicContact CB-CG1 4.41Å; L121-I124 HydrophobicContact CD1-CG1 4.25Å; L121-K173 WeakPolarHBondContact O-CE 3.33Å; L121-K173 PolarHBondContact O-NZ 3.02Å
122S97.3Very high98.3Very high91 Ų9137.6 Ų37.664%0.63620%0.203SC*.SBendtrans-67.5-45.2-177.254.10000113.2
123S98.1Very high98.2Very high22 Ų2235.8 Ų35.815%0.15419%0.187CC..  trans-157.1149.5174.2560000109.9V47 W48V47-S123 WeakPolarHBondContact CG2-OG 3.37Å; V47-S123 PolarHBondContact N-O 3.04Å; V47-S123 PolarHBondContact N-OG 3.47Å; W48-S123 WeakPolarHBondContact CB-O 3.3Å; W48-S123 PolarHBondContact N-O 3.41Å
124I98.7Very high98Very high0 Ų030.6 Ų30.60%018%0.175CC..EExtended strand (participates in β ladder)trans-115.5120.1-176.6-56.6167.5000108.1W48 I50 I118 L121 V170 K173 M174 Q177W48-I124 CarbonylContact O-C 3.57Å; W48-I124 WeakPolarHBondContact O-CA 3.04Å; I50-I124 HydrophobicContact CD1-CD1 3.74Å; I50-I124 HydrophobicContact CD1-CG1 4.2Å; I50-I124 HydrophobicContact CD1-CG2 4.08Å; I50-I124 HydrophobicContact CG1-CG2 4.46Å; I118-I124 HydrophobicContact CG2-CD1 3.98Å; L121-I124 HydrophobicContact CB-CG1 4.41Å; L121-I124 HydrophobicContact CD1-CG1 4.25Å; I124-V170 HydrophobicContact CD1-CG1 3.89Å; I124-V170 HydrophobicContact CD1-CG2 4.41Å; I124-V170 HydrophobicContact CG2-CG1 4Å; I124-K173 HydrophobicContact CD1-CD 3.74Å; I124-K173 HydrophobicContact CD1-CG 4.34Å; I124-M174 HydrophobicContact CB-CG 4.28Å; I124-M174 HydrophobicContact CG2-CE 4.05Å; I124-M174 HydrophobicContact CG2-CG 4.46Å; I124-Q177 PolarHBondContact O-NE2 2.98Å; I124-Q177 PolarHBondContact O-OE1 3.08Å
125A98.5Very high97.8Very high0 Ų031.7 Ų31.70%018%0.182CC..EExtended strand (participates in β ladder)trans-83.7-43.8172.700000111.4L42 W48 L71 M174 M182 A183L42-A125 HydrophobicContact CB-CB 4.37Å; L42-A125 WeakPolarHBondContact O-CB 3.36Å; W48-A125 PolarHBondContact O-N 3.06Å; L71-A125 HydrophobicContact CD1-CB 4.23Å; L71-A125 HydrophobicContact CD2-CB 3.68Å; A125-M174 WeakPolarHBondContact O-CE 3.38Å; A125-M182 CarbonylContact O-C 3.55Å; A125-M182 VanDerWaalsContact O-CA 3.31Å; A125-M182 WeakPolarHBondContact O-CA 3.25Å; A125-A183 PolarHBondContact O-N 2.92Å
126C98.7Very high97.5Very high0 Ų032.8 Ų32.80%019%0.193CC..EExtended strand (participates in β ladder)trans-143.2136.4-170.4-166.20000112.2L42 W48 A49 I50 L66 A183L42-C126 HydrophobicContact CD1-CB 4.3Å; L42-C126 HydrophobicContact CD2-CB 4.17Å; W48-C126 PolarHBondContact O-N 2.95Å; A49-C126 CarbonylContact C-O 3.52Å; A49-C126 VanDerWaalsContact CA-O 3.25Å; A49-C126 WeakPolarHBondContact CA-O 3.44Å; A49-C126 HydrophobicContact CB-CB 4.11Å; I50-C126 PolarHBondContact N-O 3.22Å; L66-C126 HydrophobicContact CD1-CB 4.47Å; L66-C126 HydrophobicContact CD2-CB 4.49Å; C126-A183 CarbonylContact C-O 3.55Å; C126-A183 VanDerWaalsContact CA-O 3.24Å; C126-A183 WeakPolarHBondContact CA-O 3.42Å
127L98.9Very high97.1Very high0 Ų030 Ų300%018%0.179CC..EExtended strand (participates in β ladder)trans-111.3126.2161.7170.563.5000108.8I50 N129 M166 V170 A183 I184 I185I50-L127 HydrophobicContact CB-CD1 3.89Å; I50-L127 HydrophobicContact CG2-CD1 3.88Å; I50-L127 CarbonylContact O-C 3.52Å; I50-L127 WeakPolarHBondContact O-CA 2.97Å; L127-N129 WeakPolarHBondContact CD2-ND2 3.41Å; L127-M166 HydrophobicContact CD1-CB 4.44Å; L127-M166 HydrophobicContact CD1-CE 4.23Å; L127-M166 HydrophobicContact CD2-CB 4.03Å; L127-V170 HydrophobicContact CB-CG1 4.16Å; L127-V170 HydrophobicContact CD1-CG2 4.46Å; L127-V170 HydrophobicContact CD2-CB 3.94Å; L127-V170 HydrophobicContact CD2-CG1 4.29Å; L127-V170 HydrophobicContact CD2-CG2 3.99Å; L127-A183 PolarHBondContact N-O 3.42Å; L127-I184 HydrophobicContact CB-CG1 4.29Å; L127-I184 HydrophobicContact CB-CG2 4.36Å; L127-I184 HydrophobicContact CD2-CG2 4.07Å; L127-I184 HydrophobicContact CG-CG2 4.33Å; L127-I184 CarbonylContact O-C 3.6Å; L127-I184 WeakPolarHBondContact O-CA 3.49Å; L127-I185 PolarHBondContact O-N 3.26Å
128V98.9Very high96.9Very high0 Ų030 Ų300%018%0.176CC..EExtended strand (participates in β ladder)trans-11199.5172.7-173.90000108.7I50 V51 T52 Y62 L66 N130 I185I50-V128 PolarHBondContact O-N 3.39Å; V51-V128 HydrophobicContact CB-CB 4.43Å; V51-V128 HydrophobicContact CG1-CB 4.15Å; V51-V128 HydrophobicContact CG1-CG1 4.38Å; V51-V128 HydrophobicContact CG2-CB 4.14Å; V51-V128 HydrophobicContact CG2-CG2 4.18Å; T52-V128 PolarHBondContact N-O 3.17Å; T52-V128 PolarHBondContact OG1-O 3.47Å; Y62-V128 HydrophobicContact CD1-CG1 4.08Å; Y62-V128 HydrophobicContact CD1-CG2 3.94Å; Y62-V128 HydrophobicContact CD2-CG1 4.29Å; Y62-V128 HydrophobicContact CG-CG1 3.92Å; Y62-V128 HydrophobicContact CG-CG2 4.39Å; L66-V128 HydrophobicContact CD1-CG2 3.76Å; V128-N130 HydrophobicContact CG1-CB 3.99Å; V128-N130 PolarHBondContact O-N 2.72Å; V128-N130 VanDerWaalsContact O-N 3.11Å; V128-I185 CarbonylContact C-O 3.55Å; V128-I185 WeakPolarHBondContact CA-O 3.49Å; V128-I185 HydrophobicContact CG2-CB 4.43Å; V128-I185 HydrophobicContact CG2-CD1 4.46Å
129N98.9Very high96.7Very high1 Ų131 Ų311%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-81.185.2172.6-69.4-47.8000109.8T52 L127 I163 M166 T167 I185 N186 I187T52-N129 WeakPolarHBondContact OG1-CA 3.49Å; L127-N129 WeakPolarHBondContact CD2-ND2 3.41Å; N129-I163 HydrophobicContact CB-CG1 3.66Å; N129-M166 VanDerWaalsContact OD1-CB 3.25Å; N129-M166 WeakPolarHBondContact OD1-CB 3.31Å; N129-T167 PolarHBondContact ND2-OG1 3.29Å; N129-I185 PolarHBondContact N-O 3.02Å; N129-N186 WeakPolarHBondContact CB-OD1 3.34Å; N129-N186 PolarHBondContact ND2-OD1 2.9Å; N129-I187 PolarHBondContact O-N 3.05Å
130N98.7Very high96.6Very high24 Ų2432.7 Ų32.713%0.12818%0.183CC..  trans-106.7-22.7-176.7160.888.9000113.9T52 G53 G59 V128 G132 I187T52-N130 VanDerWaalsContact O-CB 3.29Å; T52-N130 WeakPolarHBondContact O-CB 3Å; T52-N130 PolarHBondContact O-ND2 3.22Å; T52-N130 PolarHBondContact OG1-N 2.87Å; G53-N130 PolarHBondContact O-ND2 3.04Å; G59-N130 WeakPolarHBondContact CA-ND2 3.25Å; G59-N130 PolarHBondContact N-ND2 3.33Å; G59-N130 PolarHBondContact N-OD1 3.47Å; V128-N130 HydrophobicContact CG1-CB 3.99Å; V128-N130 PolarHBondContact O-N 2.72Å; V128-N130 VanDerWaalsContact O-N 3.11Å; N130-G132 PolarHBondContact O-N 3.46Å; N130-I187 HydrophobicContact CB-CB 4.4Å; N130-I187 HydrophobicContact CB-CG1 3.61Å
131V98.2Very high96.6Very high13 Ų1331.9 Ų31.98%0.07917%0.174CC..  trans-54.1141.1-176.468.80000112.1T52 F105 P162T52-V131 PolarHBondContact O-N 3.49Å; T52-V131 WeakPolarHBondContact OG1-CG1 3.13Å; T52-V131 PolarHBondContact OG1-N 2.76Å; T52-V131 VanDerWaalsContact OG1-N 3.08Å; F105-V131 HydrophobicContact CB-CG2 4.47Å; F105-V131 HydrophobicContact CD2-CB 4.13Å; F105-V131 HydrophobicContact CD2-CG1 3.88Å; F105-V131 HydrophobicContact CD2-CG2 3.67Å; F105-V131 HydrophobicContact CE2-CB 4.28Å; F105-V131 HydrophobicContact CE2-CG1 4.06Å; F105-V131 HydrophobicContact CE2-CG2 4.23Å; F105-V131 HydrophobicContact CG-CG1 4.11Å; F105-V131 HydrophobicContact CG-CG2 4.35Å; F105-V131 HydrophobicContact CZ-CG1 4.48Å; V131-P162 HydrophobicContact CG1-CB 3.48Å; V131-P162 VanDerWaalsContact CG1-CB 3.48Å; V131-P162 HydrophobicContact CG1-CG 3.69Å
132G96.7Very high96.5Very high20 Ų2036.2 Ų36.221%0.20621%0.211CC..  trans-178.3164.8173.400000113.1N130 N159 M239N130-G132 PolarHBondContact O-N 3.46Å; G132-N159 WeakPolarHBondContact CA-OD1 3.39Å; G132-M239 VanDerWaalsContact O-CE 3.27Å; G132-M239 WeakPolarHBondContact O-CE 3.5Å
133M95.8Very high96.4Very high35 Ų3537.1 Ų37.117%0.17221%0.213CC..  trans-112.5131.5175.4-70.717361.900109.7T106 N154 I155 C158 N159 Y202T106-M133 HydrophobicContact CG2-SD 3.61Å; M133-N154 HydrophobicContact CE-CB 4.04Å; M133-N154 HydrophobicContact SD-CB 4.29Å; M133-I155 HydrophobicContact CB-CG1 4.22Å; M133-C158 HydrophobicContact CG-CB 3.9Å; M133-C158 HydrophobicContact SD-CB 3.56Å; M133-C158 VanDerWaalsContact SD-CB 3.56Å; M133-N159 PolarHBondContact N-OD1 2.83Å; M133-N159 PolarHBondContact O-ND2 2.88Å; M133-N159 PolarHBondContact O-OD1 2.99Å; M133-Y202 VanDerWaalsContact O-CD2 3.27Å; M133-Y202 WeakPolarHBondContact O-CD2 3.46Å; M133-Y202 WeakPolarHBondContact O-CE2 3.31Å
134G94.3Very high96.3Very high23 Ų2336.7 Ų36.724%0.23721%0.209CC..  trans-85.8-171.7167.800000112
135V94Very high96.1Very high24 Ų2442.5 Ų42.515%0.14524%0.24CC..  trans-103149.1169.9-61.20000111K137 Y146 F151 I155 L199V135-K137 VanDerWaalsContact C-N 3.31Å; V135-K137 WeakPolarHBondContact CG2-O 3.41Å; V135-K137 PolarHBondContact O-N 2.94Å; V135-Y146 HydrophobicContact CB-CE2 4.03Å; V135-Y146 HydrophobicContact CG1-CE2 4.11Å; V135-F151 HydrophobicContact CG1-CE1 4.49Å; V135-F151 HydrophobicContact CG1-CZ 4.17Å; V135-I155 HydrophobicContact CG1-CD1 4.25Å; V135-L199 HydrophobicContact CG2-CD2 3.42Å; V135-L199 VanDerWaalsContact CG2-CD2 3.42Å
136P91.3Very high96Very high71 Ų7143.9 Ų43.946%0.46125%0.246SC..SBendtrans-63.5-34.8178.1-22.334.1000113.3Y146 K305P136-Y146 VanDerWaalsContact CD-CD2 3.46Å; P136-Y146 HydrophobicContact CG-CD1 4.42Å; P136-Y146 HydrophobicContact CG-CD2 3.92Å; P136-Y146 HydrophobicContact CG-CG 3.88Å; P136-K305 PolarHBondContact O-NZ 2.76Å
137K91.2Very high95.9Very high67 Ų6745.3 Ų45.329%0.29125%0.253SS..SBendtrans-154.2157.1-17953.9175.8172.8176.70111.5V135 D139 T144 D145 Y146V135-K137 VanDerWaalsContact C-N 3.31Å; V135-K137 WeakPolarHBondContact CG2-O 3.41Å; V135-K137 PolarHBondContact O-N 2.94Å; K137-D139 HydrophobicContact CD-CB 4.26Å; K137-D139 VanDerWaalsContact CE-OD2 3.32Å; K137-D139 WeakPolarHBondContact CE-OD2 3.33Å; K137-D139 HydrophobicContact CG-CB 4.14Å; K137-D139 IonicContact NZ-OD2 2.76Å; K137-D139 PolarHBondContact NZ-OD2 3.04Å; K137-D139 PolarHBondContact O-N 3.45Å; K137-T144 VanDerWaalsContact CE-OG1 3.28Å; K137-T144 WeakPolarHBondContact CE-OG1 3.31Å; K137-D145 WeakPolarHBondContact CE-OD1 3.42Å; K137-D145 IonicContact NZ-OD1 3.8Å; K137-D145 PolarHBondContact NZ-OD1 3.37Å; K137-D145 IonicContact NZ-OD2 3.33Å; K137-Y146 HydrophobicContact CG-CD1 4.01Å; K137-Y146 HydrophobicContact CG-CE1 3.8Å; K137-Y146 PolarHBondContact O-OH 2.8Å
138L93.3Very high95.8Very high16 Ų1648.7 Ų48.78%0.08427%0.274CS..  trans-75.2108.6169-62.6-163.9000108.4F198 L199 K298 F301L138-F198 HydrophobicContact CB-CB 3.88Å; L138-L199 HydrophobicContact CD2-CD1 3.95Å; L138-L199 HydrophobicContact CD2-CD2 3.28Å; L138-L199 HydrophobicContact CD2-CG 3.42Å; L138-L199 VanDerWaalsContact CD2-CG 3.42Å; L138-K298 HydrophobicContact CB-CB 4.48Å; L138-K298 HydrophobicContact CB-CG 4.15Å; L138-K298 VanDerWaalsContact O-CE 3.32Å; L138-K298 WeakPolarHBondContact O-CE 3.19Å; L138-K298 WeakPolarHBondContact O-CG 3.38Å; L138-F301 HydrophobicContact CD1-CB 4.45Å; L138-F301 HydrophobicContact CD1-CD2 3.34Å; L138-F301 HydrophobicContact CD1-CE2 3.83Å; L138-F301 HydrophobicContact CD1-CG 4.11Å; L138-F301 HydrophobicContact CG-CD2 4.04Å; L138-F301 HydrophobicContact CG-CG 4.38Å
139D95.1Very high95.8Very high23 Ų2355.7 Ų55.712%0.12331%0.31CS..  trans-150.3163.7-176.2-150.10.5000114.4K137 Y141 T144 Y146 F198 K298K137-D139 HydrophobicContact CD-CB 4.26Å; K137-D139 VanDerWaalsContact CE-OD2 3.32Å; K137-D139 WeakPolarHBondContact CE-OD2 3.33Å; K137-D139 HydrophobicContact CG-CB 4.14Å; K137-D139 IonicContact NZ-OD2 2.76Å; K137-D139 PolarHBondContact NZ-OD2 3.04Å; K137-D139 PolarHBondContact O-N 3.45Å; D139-Y141 PolarHBondContact O-N 2.86Å; D139-T144 WeakPolarHBondContact CB-OG1 3.42Å; D139-T144 VanDerWaalsContact CG-OG1 3.32Å; D139-T144 WeakPolarHBondContact OD2-CB 3.47Å; D139-T144 PolarHBondContact OD2-OG1 3.33Å; D139-Y146 HydrophobicContact CB-CE1 4.21Å; D139-F198 PolarHBondContact N-O 2.96Å; D139-F198 VanDerWaalsContact O-CA 3.28Å; D139-F198 WeakPolarHBondContact O-CA 3.48Å; D139-K298 IonicContact OD1-NZ 2.72Å
140Y96.1Very high95.7Very high116 Ų11660 Ų6046%0.45533%0.333SS..  trans-65.4129.5-180-69.2-90.1000111A142 T143 T144 F198 K298Y140-A142 VanDerWaalsContact C-N 3.26Å; Y140-A142 PolarHBondContact O-N 3.03Å; Y140-T143 WeakPolarHBondContact CB-OG1 3.37Å; Y140-T143 PolarHBondContact O-N 3.08Å; Y140-T144 VanDerWaalsContact O-CB 3.26Å; Y140-T144 WeakPolarHBondContact O-CB 3.34Å; Y140-T144 WeakPolarHBondContact O-CG2 3.17Å; Y140-T144 PolarHBondContact O-N 2.7Å; Y140-F198 HydrophobicContact CD1-CD1 4.44Å; Y140-F198 AromaticContact CD1-CE1 3.85Å; Y140-F198 HydrophobicContact CD1-CE1 3.85Å; Y140-F198 HydrophobicContact CD2-CE1 4.3Å; Y140-F198 AromaticContact CE1-CE1 3.59Å; Y140-F198 HydrophobicContact CE1-CE1 3.59Å; Y140-F198 HydrophobicContact CE1-CZ 4.34Å; Y140-F198 HydrophobicContact CE2-CE1 4.06Å; Y140-F198 HydrophobicContact CG-CD1 4.45Å; Y140-F198 HydrophobicContact CG-CE1 4.2Å; Y140-F198 AromaticContact CZ-CE1 3.69Å; Y140-K298 HydrophobicContact CE2-CD 4.3Å
141Y96.6Very high95.7Very high120 Ų12060.2 Ų60.247%0.47133%0.333SS..THydrogen-bonded Turntrans-55.8-40.1-177.8-176.3-94.7000113.1D139 I147 S200 L201D139-Y141 PolarHBondContact O-N 2.86Å; Y141-I147 HydrophobicContact CD2-CD1 3.62Å; Y141-I147 HydrophobicContact CD2-CG2 4.43Å; Y141-I147 HydrophobicContact CE2-CD1 4.14Å; Y141-I147 HydrophobicContact CE2-CG2 4.02Å; Y141-I147 HydrophobicContact CG-CD1 4.32Å; Y141-S200 VanDerWaalsContact CD2-OG 3.3Å; Y141-S200 WeakPolarHBondContact CD2-OG 3.5Å; Y141-L201 HydrophobicContact CE2-CB 4.42Å
142A96.6Very high95.7Very high95 Ų9562.2 Ų62.279%0.78534%0.342SS*.THydrogen-bonded Turntrans-79.4-24.3-173.600000114.5Y140Y140-A142 VanDerWaalsContact C-N 3.26Å; Y140-A142 PolarHBondContact O-N 3.03Å
143T95.6Very high95.8Very high110 Ų11065.6 Ų65.668%0.67535%0.351SS*.THydrogen-bonded Turntrans-121.8-5.5-168.361.70000113.7Y140Y140-T143 WeakPolarHBondContact CB-OG1 3.37Å; Y140-T143 PolarHBondContact O-N 3.08Å
144T95.6Very high95.9Very high13 Ų1365.9 Ų65.98%0.0835%0.354CS..  trans-77.6145.1179.1-1580000111.2K137 D139 Y140 Y146 I147K137-T144 VanDerWaalsContact CE-OG1 3.28Å; K137-T144 WeakPolarHBondContact CE-OG1 3.31Å; D139-T144 WeakPolarHBondContact CB-OG1 3.42Å; D139-T144 VanDerWaalsContact CG-OG1 3.32Å; D139-T144 WeakPolarHBondContact OD2-CB 3.47Å; D139-T144 PolarHBondContact OD2-OG1 3.33Å; Y140-T144 VanDerWaalsContact O-CB 3.26Å; Y140-T144 WeakPolarHBondContact O-CB 3.34Å; Y140-T144 WeakPolarHBondContact O-CG2 3.17Å; Y140-T144 PolarHBondContact O-N 2.7Å; T144-Y146 HydrophobicContact CG2-CD1 3.77Å; T144-Y146 HydrophobicContact CG2-CE1 3.54Å; T144-Y146 HydrophobicContact CG2-CG 4.42Å; T144-Y146 WeakPolarHBondContact OG1-CD1 3.35Å; T144-Y146 WeakPolarHBondContact OG1-CE1 3.45Å; T144-I147 HydrophobicContact CG2-CB 3.82Å; T144-I147 HydrophobicContact CG2-CD1 3.44Å; T144-I147 VanDerWaalsContact CG2-CD1 3.44Å; T144-I147 HydrophobicContact CG2-CG1 3.41Å; T144-I147 VanDerWaalsContact CG2-CG1 3.41Å
145D95.8Very high96.1Very high122 Ų12264.8 Ų64.865%0.65234%0.342SS*.SBendtrans-77.3-29-175.353.2-13.6000113.7K137K137-D145 WeakPolarHBondContact CE-OD1 3.42Å; K137-D145 IonicContact NZ-OD1 3.8Å; K137-D145 PolarHBondContact NZ-OD1 3.37Å; K137-D145 IonicContact NZ-OD2 3.33Å
146Y95.5Very high96.3Very high29 Ų2966 Ų6611%0.11435%0.35CS..SBendtrans-80.2-16.7-175.776.3-94000114.1V135 P136 K137 D139 T144 T148 F151V135-Y146 HydrophobicContact CB-CE2 4.03Å; V135-Y146 HydrophobicContact CG1-CE2 4.11Å; P136-Y146 VanDerWaalsContact CD-CD2 3.46Å; P136-Y146 HydrophobicContact CG-CD1 4.42Å; P136-Y146 HydrophobicContact CG-CD2 3.92Å; P136-Y146 HydrophobicContact CG-CG 3.88Å; K137-Y146 HydrophobicContact CG-CD1 4.01Å; K137-Y146 HydrophobicContact CG-CE1 3.8Å; K137-Y146 PolarHBondContact O-OH 2.8Å; D139-Y146 HydrophobicContact CB-CE1 4.21Å; T144-Y146 HydrophobicContact CG2-CD1 3.77Å; T144-Y146 HydrophobicContact CG2-CE1 3.54Å; T144-Y146 HydrophobicContact CG2-CG 4.42Å; T144-Y146 WeakPolarHBondContact OG1-CD1 3.35Å; T144-Y146 WeakPolarHBondContact OG1-CE1 3.45Å; Y146-T148 VanDerWaalsContact C-N 3.31Å; Y146-T148 PolarHBondContact O-N 2.86Å; Y146-F151 AromaticContact CD2-CD1 3.97Å; Y146-F151 HydrophobicContact CD2-CD1 3.97Å; Y146-F151 HydrophobicContact CD2-CD2 4.22Å; Y146-F151 AromaticContact CD2-CE1 3.72Å; Y146-F151 HydrophobicContact CD2-CE1 3.72Å; Y146-F151 AromaticContact CD2-CE2 3.98Å; Y146-F151 HydrophobicContact CD2-CE2 3.98Å; Y146-F151 HydrophobicContact CD2-CG 4.22Å; Y146-F151 AromaticContact CD2-CZ 3.72Å; Y146-F151 HydrophobicContact CD2-CZ 3.72Å; Y146-F151 HydrophobicContact CE2-CD1 4.15Å; Y146-F151 AromaticContact CE2-CE1 3.52Å; Y146-F151 HydrophobicContact CE2-CE1 3.52Å; Y146-F151 HydrophobicContact CE2-CE2 4.36Å; Y146-F151 AromaticContact CE2-CZ 3.65Å; Y146-F151 HydrophobicContact CE2-CZ 3.65Å; Y146-F151 WeakPolarHBondContact O-CB 3.43Å; Y146-F151 VanDerWaalsContact O-CG 3.31Å; Y146-F151 WeakPolarHBondContact O-CG 3.13Å
147I96.8Very high96.6Very high29 Ų2965.7 Ų65.715%0.14934%0.341CS..  trans-83.281.5179.2-64.4179000108.7Y141 T144 F151 I152Y141-I147 HydrophobicContact CD2-CD1 3.62Å; Y141-I147 HydrophobicContact CD2-CG2 4.43Å; Y141-I147 HydrophobicContact CE2-CD1 4.14Å; Y141-I147 HydrophobicContact CE2-CG2 4.02Å; Y141-I147 HydrophobicContact CG-CD1 4.32Å; T144-I147 HydrophobicContact CG2-CB 3.82Å; T144-I147 HydrophobicContact CG2-CD1 3.44Å; T144-I147 VanDerWaalsContact CG2-CD1 3.44Å; T144-I147 HydrophobicContact CG2-CG1 3.41Å; T144-I147 VanDerWaalsContact CG2-CG1 3.41Å; I147-F151 HydrophobicContact CG1-CD1 4.32Å; I147-F151 HydrophobicContact CG1-CE1 4.48Å; I147-I152 HydrophobicContact CG2-CD1 3.93Å; I147-I152 HydrophobicContact CG2-CG1 3.95Å
148T97.4Very high97Very high72 Ų7262.6 Ų62.644%0.44233%0.328SS..  trans-97.6168.5171.467.40000110.9Y146 D150 F151 I152Y146-T148 VanDerWaalsContact C-N 3.31Å; Y146-T148 PolarHBondContact O-N 2.86Å; T148-D150 VanDerWaalsContact C-N 3.25Å; T148-D150 PolarHBondContact O-N 2.77Å; T148-F151 PolarHBondContact O-N 3.24Å; T148-F151 PolarHBondContact OG1-N 3.26Å; T148-F151 VanDerWaalsContact OG1-N 3.15Å; T148-I152 WeakPolarHBondContact O-CG1 3.45Å; T148-I152 PolarHBondContact O-N 2.9Å
149I97.9Very high97.2Very high147 Ų14761.8 Ų61.875%0.75432%0.324SS*.Hα-helixtrans-55.1-43.7173.9-66175.1000110.8I152 K153I149-I152 PolarHBondContact O-N 2.81Å; I149-K153 PolarHBondContact O-N 2.77Å
150D98.1Very high97.4Very high92 Ų9261.5 Ų61.549%0.49232%0.322SS..Hα-helixtrans-66.8-39178.1-79-45.8000112.9T148 I152 K153 N154T148-D150 VanDerWaalsContact C-N 3.25Å; T148-D150 PolarHBondContact O-N 2.77Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.16Å; D150-K153 PolarHBondContact O-N 2.77Å; D150-K153 IonicContact OD1-NZ 3.28Å; D150-K153 PolarHBondContact OD1-NZ 3.32Å; D150-N154 VanDerWaalsContact O-CB 3.28Å; D150-N154 WeakPolarHBondContact O-CB 3.42Å; D150-N154 PolarHBondContact O-N 2.85Å; D150-N154 PolarHBondContact O-ND2 3.05Å; D150-N154 PolarHBondContact O-OD1 3.28Å
151F98.2Very high97.5Very high28 Ų2858.3 Ų58.312%0.12331%0.313CS..Hα-helixtrans-61.5-43.9174.3-177.5-95000111.1V135 Y146 I147 T148 N154 I155 L201V135-F151 HydrophobicContact CG1-CE1 4.49Å; V135-F151 HydrophobicContact CG1-CZ 4.17Å; Y146-F151 AromaticContact CD2-CD1 3.97Å; Y146-F151 HydrophobicContact CD2-CD1 3.97Å; Y146-F151 HydrophobicContact CD2-CD2 4.22Å; Y146-F151 AromaticContact CD2-CE1 3.72Å; Y146-F151 HydrophobicContact CD2-CE1 3.72Å; Y146-F151 AromaticContact CD2-CE2 3.98Å; Y146-F151 HydrophobicContact CD2-CE2 3.98Å; Y146-F151 HydrophobicContact CD2-CG 4.22Å; Y146-F151 AromaticContact CD2-CZ 3.72Å; Y146-F151 HydrophobicContact CD2-CZ 3.72Å; Y146-F151 HydrophobicContact CE2-CD1 4.15Å; Y146-F151 AromaticContact CE2-CE1 3.52Å; Y146-F151 HydrophobicContact CE2-CE1 3.52Å; Y146-F151 HydrophobicContact CE2-CE2 4.36Å; Y146-F151 AromaticContact CE2-CZ 3.65Å; Y146-F151 HydrophobicContact CE2-CZ 3.65Å; Y146-F151 WeakPolarHBondContact O-CB 3.43Å; Y146-F151 VanDerWaalsContact O-CG 3.31Å; Y146-F151 WeakPolarHBondContact O-CG 3.13Å; I147-F151 HydrophobicContact CG1-CD1 4.32Å; I147-F151 HydrophobicContact CG1-CE1 4.48Å; T148-F151 PolarHBondContact O-N 3.24Å; T148-F151 PolarHBondContact OG1-N 3.26Å; T148-F151 VanDerWaalsContact OG1-N 3.15Å; F151-N154 PolarHBondContact O-N 3.35Å; F151-I155 HydrophobicContact CD1-CG2 4.4Å; F151-I155 HydrophobicContact CE1-CB 4.38Å; F151-I155 HydrophobicContact CE1-CD1 3.99Å; F151-I155 HydrophobicContact CE1-CG2 4.17Å; F151-I155 HydrophobicContact CZ-CB 4.45Å; F151-I155 HydrophobicContact CZ-CD1 3.86Å; F151-I155 VanDerWaalsContact O-CG2 3.24Å; F151-I155 WeakPolarHBondContact O-CG2 3.41Å; F151-I155 PolarHBondContact O-N 2.76Å; F151-L201 HydrophobicContact CD1-CD2 4.1Å; F151-L201 HydrophobicContact CE1-CD2 4.04Å
152I98.4Very high97.5Very high54 Ų5452.6 Ų52.628%0.27729%0.291SS..Hα-helixtrans-59.9-49.6177.4-65.8164.5000110.7I147 T148 I149 D150 N154 I155 V156 L201I147-I152 HydrophobicContact CG2-CD1 3.93Å; I147-I152 HydrophobicContact CG2-CG1 3.95Å; T148-I152 WeakPolarHBondContact O-CG1 3.45Å; T148-I152 PolarHBondContact O-N 2.9Å; I149-I152 PolarHBondContact O-N 2.81Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.16Å; I152-N154 PolarHBondContact O-N 2.82Å; I152-I155 WeakPolarHBondContact O-CG2 3.5Å; I152-V156 WeakPolarHBondContact O-CB 3.27Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.45Å; I152-V156 PolarHBondContact O-N 3.45Å; I152-V156 VanDerWaalsContact O-N 3.16Å; I152-L201 HydrophobicContact CB-CD2 4.35Å; I152-L201 HydrophobicContact CG1-CD2 3.83Å
153K98Very high97.6Very high91 Ų9148.2 Ų48.240%0.39625%0.254SS..Hα-helixtrans-55.7-52.8175.8-176.4-169.577.1-158.50111.1I149 D150 V156 F157I149-K153 PolarHBondContact O-N 2.77Å; D150-K153 PolarHBondContact O-N 2.77Å; D150-K153 IonicContact OD1-NZ 3.28Å; D150-K153 PolarHBondContact OD1-NZ 3.32Å; K153-V156 PolarHBondContact O-N 3.16Å; K153-F157 HydrophobicContact CG-CD1 4.42Å; K153-F157 HydrophobicContact CG-CE1 4.33Å; K153-F157 HydrophobicContact CG-CZ 4.42Å; K153-F157 WeakPolarHBondContact O-CB 3.42Å; K153-F157 WeakPolarHBondContact O-CD1 3.28Å; K153-F157 WeakPolarHBondContact O-CG 3.38Å; K153-F157 PolarHBondContact O-N 3.33Å
154N98.4Very high97.7Very high42 Ų4244.6 Ų44.623%0.22524%0.235CC..Hα-helixtrans-66.1-43.8-172.6-70-11.4000112.7T106 M133 D150 F151 I152 F157 C158T106-N154 HydrophobicContact CG2-CB 3.83Å; M133-N154 HydrophobicContact CE-CB 4.04Å; M133-N154 HydrophobicContact SD-CB 4.29Å; D150-N154 VanDerWaalsContact O-CB 3.28Å; D150-N154 WeakPolarHBondContact O-CB 3.42Å; D150-N154 PolarHBondContact O-N 2.85Å; D150-N154 PolarHBondContact O-ND2 3.05Å; D150-N154 PolarHBondContact O-OD1 3.28Å; F151-N154 PolarHBondContact O-N 3.35Å; I152-N154 PolarHBondContact O-N 2.82Å; N154-F157 PolarHBondContact O-N 2.91Å; N154-C158 WeakPolarHBondContact O-CB 3.26Å; N154-C158 PolarHBondContact O-N 2.8Å
155I98.3Very high97.9Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-69.1-38.1180-165.3172000111.7M133 V135 F151 I152 N159 L201 Y202M133-I155 HydrophobicContact CB-CG1 4.22Å; V135-I155 HydrophobicContact CG1-CD1 4.25Å; F151-I155 HydrophobicContact CD1-CG2 4.4Å; F151-I155 HydrophobicContact CE1-CB 4.38Å; F151-I155 HydrophobicContact CE1-CD1 3.99Å; F151-I155 HydrophobicContact CE1-CG2 4.17Å; F151-I155 HydrophobicContact CZ-CB 4.45Å; F151-I155 HydrophobicContact CZ-CD1 3.86Å; F151-I155 VanDerWaalsContact O-CG2 3.24Å; F151-I155 WeakPolarHBondContact O-CG2 3.41Å; F151-I155 PolarHBondContact O-N 2.76Å; I152-I155 WeakPolarHBondContact O-CG2 3.5Å; I155-N159 WeakPolarHBondContact O-CB 3.26Å; I155-N159 VanDerWaalsContact O-CG 3.31Å; I155-N159 PolarHBondContact O-N 2.96Å; I155-L201 HydrophobicContact CG2-CD1 4.39Å; I155-L201 HydrophobicContact CG2-CD2 3.45Å; I155-L201 VanDerWaalsContact CG2-CD2 3.45Å; I155-L201 HydrophobicContact CG2-CG 3.68Å; I155-Y202 HydrophobicContact CD1-CD2 4.42Å
156V98.2Very high98Very high50 Ų5040 Ų4030%0.30321%0.209SC..Hα-helixtrans-66.1-46.9175.4172.30000110I152 K153 N160 L201 T205I152-V156 WeakPolarHBondContact O-CB 3.27Å; I152-V156 VanDerWaalsContact O-CG2 3.25Å; I152-V156 WeakPolarHBondContact O-CG2 3.45Å; I152-V156 PolarHBondContact O-N 3.45Å; I152-V156 VanDerWaalsContact O-N 3.16Å; K153-V156 PolarHBondContact O-N 3.16Å; V156-N160 VanDerWaalsContact O-CB 3.27Å; V156-N160 WeakPolarHBondContact O-CB 3.4Å; V156-N160 PolarHBondContact O-N 2.9Å; V156-L201 HydrophobicContact CG2-CD1 4.31Å; V156-T205 HydrophobicContact CG2-CG2 4.15Å
157F97.9Very high98.2Very high64 Ų6438.8 Ų38.828%0.28121%0.205SC..Hα-helixtrans-59.5-56.1178.8-84.530.8000110.5F105 T106 K153 N154 N159 L161 P162F105-F157 CarbonylContact O-C 3.52Å; T106-F157 WeakPolarHBondContact O-CD2 3.32Å; K153-F157 HydrophobicContact CG-CD1 4.42Å; K153-F157 HydrophobicContact CG-CE1 4.33Å; K153-F157 HydrophobicContact CG-CZ 4.42Å; K153-F157 WeakPolarHBondContact O-CB 3.42Å; K153-F157 WeakPolarHBondContact O-CD1 3.28Å; K153-F157 WeakPolarHBondContact O-CG 3.38Å; K153-F157 PolarHBondContact O-N 3.33Å; N154-F157 PolarHBondContact O-N 2.91Å; F157-N159 VanDerWaalsContact C-N 3.35Å; F157-N159 PolarHBondContact O-N 3.35Å; F157-L161 HydrophobicContact CB-CD1 4.17Å; F157-L161 HydrophobicContact CD1-CD1 3.81Å; F157-L161 HydrophobicContact CD2-CD1 3.95Å; F157-L161 HydrophobicContact CE1-CD1 4.12Å; F157-L161 HydrophobicContact CE2-CD1 4.26Å; F157-L161 HydrophobicContact CG-CD1 3.72Å; F157-L161 HydrophobicContact CZ-CD1 4.34Å; F157-L161 WeakPolarHBondContact O-CB 3.2Å; F157-L161 PolarHBondContact O-N 3.02Å; F157-P162 WeakPolarHBondContact O-CD 3.27Å
158C98.4Very high98.2Very high1 Ų143.9 Ų43.91%0.00723%0.228CC..Hα-helixtrans-68-29.5-174.4-168.80000113.8F105 T106 M133 N154 P162F105-C158 WeakPolarHBondContact O-CA 3.24Å; F105-C158 PolarHBondContact O-N 3.21Å; T106-C158 HydrophobicContact CG2-CB 4.16Å; M133-C158 HydrophobicContact CG-CB 3.9Å; M133-C158 HydrophobicContact SD-CB 3.56Å; M133-C158 VanDerWaalsContact SD-CB 3.56Å; N154-C158 WeakPolarHBondContact O-CB 3.26Å; N154-C158 PolarHBondContact O-N 2.8Å; C158-P162 WeakPolarHBondContact O-CD 3.19Å; C158-P162 VanDerWaalsContact O-CG 3.3Å; C158-P162 WeakPolarHBondContact O-CG 3.31Å
159N98.5Very high98.3Very high0 Ų041.8 Ų41.80%021%0.214CC..Hα-helixtrans-92.3-21.6-178.9-68.9-0.8000114.3G132 M133 I155 F157 T205 V209G132-N159 WeakPolarHBondContact CA-OD1 3.39Å; M133-N159 PolarHBondContact N-OD1 2.83Å; M133-N159 PolarHBondContact O-ND2 2.88Å; M133-N159 PolarHBondContact O-OD1 2.99Å; I155-N159 WeakPolarHBondContact O-CB 3.26Å; I155-N159 VanDerWaalsContact O-CG 3.31Å; I155-N159 PolarHBondContact O-N 2.96Å; F157-N159 VanDerWaalsContact C-N 3.35Å; F157-N159 PolarHBondContact O-N 3.35Å; N159-T205 HydrophobicContact CB-CG2 4.14Å; N159-T205 WeakPolarHBondContact CB-OG1 3.07Å; N159-T205 PolarHBondContact ND2-OG1 3.42Å; N159-V209 WeakPolarHBondContact O-CG2 3.38Å
160N98.6Very high98.3Very high17 Ų1734.8 Ų34.89%0.09118%0.178CC..Hα-helixtrans-113.5-47.8-173.3-65164.6000112.9V156 I163 A164 T205 F208V156-N160 VanDerWaalsContact O-CB 3.27Å; V156-N160 WeakPolarHBondContact O-CB 3.4Å; V156-N160 PolarHBondContact O-N 2.9Å; N160-I163 PolarHBondContact O-N 2.81Å; N160-A164 PolarHBondContact O-N 2.88Å; N160-T205 WeakPolarHBondContact ND2-CA 3.39Å; N160-T205 WeakPolarHBondContact ND2-CB 3.3Å; N160-T205 PolarHBondContact ND2-O 3.23Å; N160-F208 HydrophobicContact CB-CD1 3.62Å; N160-F208 HydrophobicContact CB-CE1 3.67Å; N160-F208 HydrophobicContact CB-CG 4.19Å; N160-F208 HydrophobicContact CB-CZ 4.26Å; N160-F208 VanDerWaalsContact CG-CD1 3.48Å; N160-F208 WeakPolarHBondContact ND2-CD1 3.48Å
161L98Very high98.3Very high48 Ų4831.4 Ų31.425%0.25116%0.16SC..Hα-helixtrans-64.9-41-174.8-60.7-175.6000113.3I108 F157 I163 A164 I165I108-L161 HydrophobicContact CD1-CD1 4.08Å; F157-L161 HydrophobicContact CB-CD1 4.17Å; F157-L161 HydrophobicContact CD1-CD1 3.81Å; F157-L161 HydrophobicContact CD2-CD1 3.95Å; F157-L161 HydrophobicContact CE1-CD1 4.12Å; F157-L161 HydrophobicContact CE2-CD1 4.26Å; F157-L161 HydrophobicContact CG-CD1 3.72Å; F157-L161 HydrophobicContact CZ-CD1 4.34Å; F157-L161 WeakPolarHBondContact O-CB 3.2Å; F157-L161 PolarHBondContact O-N 3.02Å; L161-I163 VanDerWaalsContact C-N 3.28Å; L161-I163 PolarHBondContact O-N 3.28Å; L161-A164 PolarHBondContact O-N 3.01Å; L161-I165 HydrophobicContact CB-CD1 4.11Å; L161-I165 WeakPolarHBondContact O-CB 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.4Å; L161-I165 PolarHBondContact O-N 3.12Å
162P98.3Very high98.2Very high1 Ų132.5 Ų32.51%0.00617%0.17CC..Hα-helixtrans-58.4-41.7178.9-30.136.3000112.1F105 Y111 V131 F157 C158 M166F105-P162 HydrophobicContact CB-CG 3.68Å; F105-P162 HydrophobicContact CD1-CB 3.87Å; F105-P162 HydrophobicContact CD1-CG 3.47Å; F105-P162 VanDerWaalsContact CD1-CG 3.47Å; F105-P162 HydrophobicContact CE1-CB 4.09Å; F105-P162 HydrophobicContact CE1-CG 4.19Å; F105-P162 HydrophobicContact CG-CB 4.37Å; F105-P162 HydrophobicContact CG-CG 3.72Å; Y111-P162 VanDerWaalsContact OH-CA 3.32Å; Y111-P162 WeakPolarHBondContact OH-CA 3.45Å; Y111-P162 WeakPolarHBondContact OH-CD 3.38Å; Y111-P162 WeakPolarHBondContact OH-CG 3.26Å; Y111-P162 VanDerWaalsContact OH-N 3.1Å; V131-P162 HydrophobicContact CG1-CB 3.48Å; V131-P162 VanDerWaalsContact CG1-CB 3.48Å; V131-P162 HydrophobicContact CG1-CG 3.69Å; F157-P162 WeakPolarHBondContact O-CD 3.27Å; C158-P162 WeakPolarHBondContact O-CD 3.19Å; C158-P162 VanDerWaalsContact O-CG 3.3Å; C158-P162 WeakPolarHBondContact O-CG 3.31Å; P162-M166 WeakPolarHBondContact O-CA 3.46Å; P162-M166 WeakPolarHBondContact O-CB 3.4Å; P162-M166 WeakPolarHBondContact O-CG 3.41Å; P162-M166 PolarHBondContact O-N 3.34Å
163I98Very high98.1Very high2 Ų231.4 Ų31.41%0.0116%0.163CC..Hα-helixtrans-67.2-44.2-179.8-71.7157.1000110.7N129 N160 L161 T167 V209 L212N129-I163 HydrophobicContact CB-CG1 3.66Å; N160-I163 PolarHBondContact O-N 2.81Å; L161-I163 VanDerWaalsContact C-N 3.28Å; L161-I163 PolarHBondContact O-N 3.28Å; I163-T167 WeakPolarHBondContact O-CB 3.22Å; I163-T167 PolarHBondContact O-N 3.01Å; I163-T167 PolarHBondContact O-OG1 3.49Å; I163-V209 HydrophobicContact CD1-CB 3.93Å; I163-V209 HydrophobicContact CD1-CG1 3.53Å; I163-V209 HydrophobicContact CD1-CG2 3.19Å; I163-L212 HydrophobicContact CG2-CD2 4.19Å
164A98.5Very high98.1Very high34 Ų3427 Ų2728%0.28114%0.144SC..Hα-helixtrans-65.6-51.3178.500000112N160 L161 H168 F208 L212N160-A164 PolarHBondContact O-N 2.88Å; L161-A164 PolarHBondContact O-N 3.01Å; A164-H168 WeakPolarHBondContact O-CB 3.43Å; A164-H168 PolarHBondContact O-N 3.32Å; A164-F208 HydrophobicContact CB-CZ 4.42Å; A164-L212 HydrophobicContact CB-CD2 3.95Å
165I98.6Very high98Very high38 Ų3827.9 Ų27.920%0.19515%0.148CC..Hα-helixtrans-73.9-51-173.4-62.8171.3000110.5I108 Y111 L161 T167 H168 L169I108-I165 HydrophobicContact CD1-CD1 3.9Å; Y111-I165 HydrophobicContact CD1-CB 3.98Å; Y111-I165 HydrophobicContact CD1-CD1 4.44Å; Y111-I165 HydrophobicContact CD1-CG2 3.35Å; Y111-I165 HydrophobicContact CD2-CD1 3.62Å; Y111-I165 HydrophobicContact CD2-CG2 4.21Å; Y111-I165 HydrophobicContact CE1-CB 3.77Å; Y111-I165 HydrophobicContact CE1-CD1 4.19Å; Y111-I165 HydrophobicContact CE1-CG2 3.71Å; Y111-I165 HydrophobicContact CE2-CD1 3.38Å; Y111-I165 HydrophobicContact CG-CB 4.42Å; Y111-I165 HydrophobicContact CG-CD1 4.18Å; Y111-I165 HydrophobicContact CG-CG2 3.63Å; L161-I165 HydrophobicContact CB-CD1 4.11Å; L161-I165 WeakPolarHBondContact O-CB 3.23Å; L161-I165 WeakPolarHBondContact O-CG1 3.4Å; L161-I165 PolarHBondContact O-N 3.12Å; I165-T167 PolarHBondContact O-N 3.32Å; I165-H168 CarbonylContact O-C 3.59Å; I165-H168 WeakPolarHBondContact O-CA 3.32Å; I165-H168 WeakPolarHBondContact O-CB 3.43Å; I165-H168 PolarHBondContact O-N 2.92Å; I165-L169 HydrophobicContact CG2-CD1 4.01Å; I165-L169 HydrophobicContact CG2-CD2 4.21Å; I165-L169 HydrophobicContact CG2-CG 3.97Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.01Å; I165-L169 PolarHBondContact O-N 3.42Å
166M98.8Very high97.9Very high0 Ų035.7 Ų35.70%018%0.178CC..Hα-helixtrans-59.3-38.5-179.7-62.6-64.2-61.400112I50 T52 I76 F105 Y111 I114 I118 L127 N129 P162 L169 V170I50-M166 HydrophobicContact CG2-CE 4.13Å; T52-M166 HydrophobicContact CG2-CE 4.11Å; T52-M166 HydrophobicContact CG2-CG 4.27Å; I76-M166 HydrophobicContact CD1-CE 3.79Å; F105-M166 HydrophobicContact CE1-SD 4.34Å; Y111-M166 HydrophobicContact CD1-SD 4.4Å; Y111-M166 HydrophobicContact CE1-CG 4.5Å; Y111-M166 HydrophobicContact CE1-SD 4.34Å; I114-M166 HydrophobicContact CD1-SD 4.35Å; I114-M166 HydrophobicContact CG2-CE 3.75Å; I114-M166 HydrophobicContact CG2-SD 3.61Å; I118-M166 HydrophobicContact CD1-CE 3.79Å; L127-M166 HydrophobicContact CD1-CB 4.44Å; L127-M166 HydrophobicContact CD1-CE 4.23Å; L127-M166 HydrophobicContact CD2-CB 4.03Å; N129-M166 VanDerWaalsContact OD1-CB 3.25Å; N129-M166 WeakPolarHBondContact OD1-CB 3.31Å; P162-M166 WeakPolarHBondContact O-CA 3.46Å; P162-M166 WeakPolarHBondContact O-CB 3.4Å; P162-M166 WeakPolarHBondContact O-CG 3.41Å; P162-M166 PolarHBondContact O-N 3.34Å; M166-L169 PolarHBondContact O-N 3.19Å; M166-V170 WeakPolarHBondContact O-CB 3.38Å; M166-V170 WeakPolarHBondContact O-CG2 3.3Å; M166-V170 PolarHBondContact O-N 2.95Å
167T98.5Very high97.7Very high5 Ų534.2 Ų34.23%0.03117%0.168CC..Hα-helixtrans-62.8-44.9173.3-56.90000110.7N129 I163 I165 L169 V170 L171 I184 I216N129-T167 PolarHBondContact ND2-OG1 3.29Å; I163-T167 WeakPolarHBondContact O-CB 3.22Å; I163-T167 PolarHBondContact O-N 3.01Å; I163-T167 PolarHBondContact O-OG1 3.49Å; I165-T167 PolarHBondContact O-N 3.32Å; T167-L169 PolarHBondContact O-N 3.27Å; T167-V170 PolarHBondContact O-N 3.18Å; T167-L171 HydrophobicContact CG2-CB 4.32Å; T167-L171 HydrophobicContact CG2-CD2 4.23Å; T167-L171 WeakPolarHBondContact O-CB 3.22Å; T167-L171 PolarHBondContact O-N 3.46Å; T167-I184 HydrophobicContact CG2-CD1 3.96Å; T167-I216 HydrophobicContact CG2-CD1 3.98Å
168H98.1Very high97.5Very high136 Ų13640.4 Ų40.463%0.6320%0.197SC*.Hα-helixtrans-60.6-38.7174.9175.274.5000113.6A164 I165 P172A164-H168 WeakPolarHBondContact O-CB 3.43Å; A164-H168 PolarHBondContact O-N 3.32Å; I165-H168 CarbonylContact O-C 3.59Å; I165-H168 WeakPolarHBondContact O-CA 3.32Å; I165-H168 WeakPolarHBondContact O-CB 3.43Å; I165-H168 PolarHBondContact O-N 2.92Å; H168-P172 WeakPolarHBondContact O-CD 3.33Å; H168-P172 VanDerWaalsContact O-CG 3.3Å; H168-P172 WeakPolarHBondContact O-CG 3.42Å
169L98.4Very high97.4Very high27 Ų2742.9 Ų42.914%0.14121%0.212CC..Hα-helixtrans-71.5-39.6179-59.4-174.4000112I114 Q115 I118 I165 M166 T167I114-L169 HydrophobicContact CG2-CD1 4.45Å; Q115-L169 HydrophobicContact CB-CD1 4.15Å; Q115-L169 VanDerWaalsContact OE1-CG 3.25Å; I118-L169 HydrophobicContact CD1-CB 4.32Å; I118-L169 HydrophobicContact CD1-CD1 4.4Å; I165-L169 HydrophobicContact CG2-CD1 4.01Å; I165-L169 HydrophobicContact CG2-CD2 4.21Å; I165-L169 HydrophobicContact CG2-CG 3.97Å; I165-L169 VanDerWaalsContact O-CG 3.31Å; I165-L169 WeakPolarHBondContact O-CG 3.01Å; I165-L169 PolarHBondContact O-N 3.42Å; M166-L169 PolarHBondContact O-N 3.19Å; T167-L169 PolarHBondContact O-N 3.27Å
170V98.5Very high97.3Very high0 Ų047 Ų470%024%0.238CC..Hα-helixtrans-91.3-41.9-171.2173.50000113I50 I118 I124 L127 M166 T167 K173 M174I50-V170 HydrophobicContact CD1-CG2 3.77Å; I118-V170 HydrophobicContact CD1-CG2 3.91Å; I118-V170 HydrophobicContact CG2-CG2 4.33Å; I124-V170 HydrophobicContact CD1-CG1 3.89Å; I124-V170 HydrophobicContact CD1-CG2 4.41Å; I124-V170 HydrophobicContact CG2-CG1 4Å; L127-V170 HydrophobicContact CB-CG1 4.16Å; L127-V170 HydrophobicContact CD1-CG2 4.46Å; L127-V170 HydrophobicContact CD2-CB 3.94Å; L127-V170 HydrophobicContact CD2-CG1 4.29Å; L127-V170 HydrophobicContact CD2-CG2 3.99Å; M166-V170 WeakPolarHBondContact O-CB 3.38Å; M166-V170 WeakPolarHBondContact O-CG2 3.3Å; M166-V170 PolarHBondContact O-N 2.95Å; T167-V170 PolarHBondContact O-N 3.18Å; V170-K173 WeakPolarHBondContact O-CA 3.25Å; V170-K173 WeakPolarHBondContact O-CB 3.36Å; V170-K173 PolarHBondContact O-N 3.01Å; V170-M174 HydrophobicContact CG1-CG 3.77Å; V170-M174 HydrophobicContact CG1-SD 3.71Å; V170-M174 PolarHBondContact O-N 2.96Å
171L97.6Very high97.1Very high21 Ų2146.3 Ų46.311%0.1123%0.234CC..Hα-helixtrans-58.6-45.5-171.9177.261.4000113.1T167 K173 M174 L175 I184 I216 I225T167-L171 HydrophobicContact CG2-CB 4.32Å; T167-L171 HydrophobicContact CG2-CD2 4.23Å; T167-L171 WeakPolarHBondContact O-CB 3.22Å; T167-L171 PolarHBondContact O-N 3.46Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.62Å; L171-M174 WeakPolarHBondContact O-CB 3.31Å; L171-M174 PolarHBondContact O-N 3.28Å; L171-L175 HydrophobicContact CD1-CD1 4.2Å; L171-L175 HydrophobicContact CD1-CG 4.22Å; L171-L175 HydrophobicContact CG-CD1 4.15Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.86Å; L171-I184 HydrophobicContact CB-CD1 3.98Å; L171-I184 HydrophobicContact CD1-CD1 4.05Å; L171-I216 HydrophobicContact CD2-CG2 4.16Å; L171-I225 HydrophobicContact CD1-CD1 3.61Å; L171-I225 HydrophobicContact CD1-CG2 4.37Å
172P96.3Very high97.1Very high51 Ų5144 Ų4433%0.33122%0.222SC..Hα-helixtrans-61.7-35.1175.3-23.735.7000113H168 L175 R176H168-P172 WeakPolarHBondContact O-CD 3.33Å; H168-P172 VanDerWaalsContact O-CG 3.3Å; H168-P172 WeakPolarHBondContact O-CG 3.42Å; P172-L175 PolarHBondContact O-N 2.93Å; P172-R176 WeakPolarHBondContact O-CG 3.35Å; P172-R176 PolarHBondContact O-N 3.46Å; P172-R176 PolarHBondContact O-NH1 3.4Å; P172-R176 VanDerWaalsContact O-NH1 3.17Å
173K96.5Very high97.1Very high31 Ų3144 Ų4414%0.13522%0.222CC..Hα-helixtrans-68.4-43.1176.8-174.3175.4167.991.40111.1I118 D119 L121 I124 V170 L171 L175 R176I118-K173 HydrophobicContact CG2-CD 4.12Å; I118-K173 WeakPolarHBondContact O-CE 3.4Å; D119-K173 PolarHBondContact O-NZ 3.24Å; L121-K173 WeakPolarHBondContact O-CE 3.33Å; L121-K173 PolarHBondContact O-NZ 3.02Å; I124-K173 HydrophobicContact CD1-CD 3.74Å; I124-K173 HydrophobicContact CD1-CG 4.34Å; V170-K173 WeakPolarHBondContact O-CA 3.25Å; V170-K173 WeakPolarHBondContact O-CB 3.36Å; V170-K173 PolarHBondContact O-N 3.01Å; L171-K173 VanDerWaalsContact C-N 3.28Å; L171-K173 PolarHBondContact O-N 2.62Å; K173-L175 PolarHBondContact O-N 3.04Å; K173-R176 PolarHBondContact O-N 3.05Å
174M97.7Very high97.1Very high0 Ų043.9 Ų43.90%022%0.221CC..Hα-helixtrans-59-44.4172.6-71.1-17812000111.8I124 A125 V170 L171 R176 Q177 M182 A183 I184 I225I124-M174 HydrophobicContact CB-CG 4.28Å; I124-M174 HydrophobicContact CG2-CE 4.05Å; I124-M174 HydrophobicContact CG2-CG 4.46Å; A125-M174 WeakPolarHBondContact O-CE 3.38Å; V170-M174 HydrophobicContact CG1-CG 3.77Å; V170-M174 HydrophobicContact CG1-SD 3.71Å; V170-M174 PolarHBondContact O-N 2.96Å; L171-M174 WeakPolarHBondContact O-CB 3.31Å; L171-M174 PolarHBondContact O-N 3.28Å; M174-R176 PolarHBondContact O-N 2.99Å; M174-R176 VanDerWaalsContact O-N 3.15Å; M174-Q177 WeakPolarHBondContact O-CB 3.13Å; M174-Q177 PolarHBondContact O-N 3.34Å; M174-M182 HydrophobicContact CB-SD 3.56Å; M174-M182 VanDerWaalsContact CB-SD 3.56Å; M174-M182 HydrophobicContact CE-CB 3.57Å; M174-M182 HydrophobicContact CE-CG 3.94Å; M174-M182 HydrophobicContact CE-SD 4.25Å; M174-M182 HydrophobicContact CG-SD 3.93Å; M174-M182 WeakPolarHBondContact O-CE 3.47Å; M174-A183 WeakPolarHBondContact CE-O 3.41Å; M174-I184 HydrophobicContact SD-CD1 4.09Å; M174-I184 HydrophobicContact SD-CG1 3.85Å; M174-I225 HydrophobicContact CB-CD1 3.73Å
175L95.3Very high97.1Very high59 Ų5942.2 Ų42.231%0.30921%0.208SC..Hα-helixtrans-66.2-14.3178.4-71.9170.6000114.4L171 P172 K173 R224 I225L171-L175 HydrophobicContact CD1-CD1 4.2Å; L171-L175 HydrophobicContact CD1-CG 4.22Å; L171-L175 HydrophobicContact CG-CD1 4.15Å; L171-L175 WeakPolarHBondContact O-CG 3.48Å; L171-L175 PolarHBondContact O-N 2.86Å; P172-L175 PolarHBondContact O-N 2.93Å; K173-L175 PolarHBondContact O-N 3.04Å; L175-R224 VanDerWaalsContact O-CZ 3.25Å; L175-R224 PolarHBondContact O-NH1 3.31Å; L175-R224 PolarHBondContact O-NH2 2.76Å; L175-I225 HydrophobicContact CD2-CD1 3.51Å; L175-I225 HydrophobicContact CD2-CG1 4.4Å; L175-I225 HydrophobicContact CG-CD1 3.72Å
176R96Very high97.1Very high164 Ų16440.5 Ų40.562%0.61920%0.199SC*.Hα-helixtrans-87.1-14.1171.7-70.4-174.2-63.4-92.28.9113.3P172 K173 M174P172-R176 WeakPolarHBondContact O-CG 3.35Å; P172-R176 PolarHBondContact O-N 3.46Å; P172-R176 PolarHBondContact O-NH1 3.4Å; P172-R176 VanDerWaalsContact O-NH1 3.17Å; K173-R176 PolarHBondContact O-N 3.05Å; M174-R176 PolarHBondContact O-N 2.99Å; M174-R176 VanDerWaalsContact O-N 3.15Å
177Q95.8Very high97.1Very high20 Ų2040.9 Ų40.99%0.09320%0.201CC..SBendtrans-71.6141.7177.1-67.2169.3-149.700111A45 I124 M174 T179 M182 R224A45-Q177 PolarHBondContact O-NE2 2.88Å; A45-Q177 VanDerWaalsContact O-NE2 3.13Å; I124-Q177 PolarHBondContact O-NE2 2.98Å; I124-Q177 PolarHBondContact O-OE1 3.08Å; M174-Q177 WeakPolarHBondContact O-CB 3.13Å; M174-Q177 PolarHBondContact O-N 3.34Å; Q177-T179 VanDerWaalsContact C-N 3.26Å; Q177-T179 PolarHBondContact O-N 3.33Å; Q177-M182 HydrophobicContact CB-CE 4.27Å; Q177-M182 HydrophobicContact CB-SD 4.18Å; Q177-M182 HydrophobicContact CG-SD 4.48Å; Q177-M182 PolarHBondContact NE2-SD 3Å; Q177-R224 PolarHBondContact O-NH2 3.37Å
178H93.8Very high97.1Very high193 Ų19340.7 Ų40.789%0.89420%0.2SC*.SBendtrans-74.9-15.9178.4-63.7-66.9000113.5
179T95.8Very high97.1Very high54 Ų5434.8 Ų34.833%0.33117%0.174SC..  trans-81.2167.2-179.249.30000112.4A45 Q177 M182A45-T179 WeakPolarHBondContact O-CB 3.03Å; A45-T179 PolarHBondContact O-OG1 3.41Å; Q177-T179 VanDerWaalsContact C-N 3.26Å; Q177-T179 PolarHBondContact O-N 3.33Å; T179-M182 VanDerWaalsContact O-CE 3.3Å; T179-M182 WeakPolarHBondContact O-CE 3.27Å
180T95.4Very high97.1Very high87 Ų8734.1 Ų34.153%0.53417%0.17SC..  trans-127.4168.9176.759.40000110.2A45 R224A45-T180 WeakPolarHBondContact CB-O 3.02Å; T180-R224 HydrophobicContact CG2-CB 4.44Å; T180-R224 HydrophobicContact CG2-CG 4.21Å
181G95.7Very high97Very high1 Ų134.3 Ų34.31%0.0117%0.172CC..  trans85.715.2179.100000114.6N223 R224G181-N223 PolarHBondContact N-O 3.01Å; G181-R224 PolarHBondContact N-O 3.29Å
182M97.7Very high97Very high0 Ų034 Ų340%017%0.174CC..EExtended strand (participates in β ladder)trans-66161.1172.2-77.4171.9-76.900111.3A45 A125 M174 Q177 T179 R224 I225 H226A45-M182 HydrophobicContact CB-CB 4.5Å; A45-M182 HydrophobicContact CB-CG 3.86Å; A125-M182 CarbonylContact O-C 3.55Å; A125-M182 VanDerWaalsContact O-CA 3.31Å; A125-M182 WeakPolarHBondContact O-CA 3.25Å; M174-M182 HydrophobicContact CB-SD 3.56Å; M174-M182 VanDerWaalsContact CB-SD 3.56Å; M174-M182 HydrophobicContact CE-CB 3.57Å; M174-M182 HydrophobicContact CE-CG 3.94Å; M174-M182 HydrophobicContact CE-SD 4.25Å; M174-M182 HydrophobicContact CG-SD 3.93Å; M174-M182 WeakPolarHBondContact O-CE 3.47Å; Q177-M182 HydrophobicContact CB-CE 4.27Å; Q177-M182 HydrophobicContact CB-SD 4.18Å; Q177-M182 HydrophobicContact CG-SD 4.48Å; Q177-M182 PolarHBondContact NE2-SD 3Å; T179-M182 VanDerWaalsContact O-CE 3.3Å; T179-M182 WeakPolarHBondContact O-CE 3.27Å; M182-R224 HydrophobicContact CE-CG 4.21Å; M182-R224 PolarHBondContact N-O 2.99Å; M182-R224 VanDerWaalsContact N-O 3.15Å; M182-I225 HydrophobicContact CB-CG1 4.13Å; M182-I225 HydrophobicContact CB-CG2 4.5Å; M182-I225 HydrophobicContact CE-CD1 4.45Å; M182-I225 HydrophobicContact CE-CG1 4.03Å; M182-I225 CarbonylContact O-C 3.59Å; M182-I225 WeakPolarHBondContact O-CA 3.37Å; M182-H226 PolarHBondContact O-N 3.15Å
183A98.2Very high97Very high0 Ų035.8 Ų35.80%017%0.174CC..EExtended strand (participates in β ladder)trans-140.7146.817600000115.1L42 A125 C126 L127 M174 I185 H226 L263L42-A183 HydrophobicContact CD2-CB 3.76Å; A125-A183 PolarHBondContact O-N 2.92Å; C126-A183 CarbonylContact C-O 3.55Å; C126-A183 VanDerWaalsContact CA-O 3.24Å; C126-A183 WeakPolarHBondContact CA-O 3.42Å; L127-A183 PolarHBondContact N-O 3.42Å; M174-A183 WeakPolarHBondContact CE-O 3.41Å; A183-I185 HydrophobicContact CB-CG1 4.43Å; A183-H226 CarbonylContact C-O 3.56Å; A183-H226 WeakPolarHBondContact CA-O 3.17Å; A183-H226 HydrophobicContact CB-CB 4.32Å; A183-L263 HydrophobicContact CB-CD1 3.77Å; A183-L263 HydrophobicContact CB-CD2 3.91Å; A183-L263 HydrophobicContact CB-CG 4.45Å
184I98.6Very high96.8Very high0 Ų036.8 Ų36.80%018%0.177CC..EExtended strand (participates in β ladder)trans-118.3117.4162.3-56.8-175.5000107.4L127 T167 L171 M174 N186 I225 H226 I227 Q228L127-I184 HydrophobicContact CB-CG1 4.29Å; L127-I184 HydrophobicContact CB-CG2 4.36Å; L127-I184 HydrophobicContact CD2-CG2 4.07Å; L127-I184 HydrophobicContact CG-CG2 4.33Å; L127-I184 CarbonylContact O-C 3.6Å; L127-I184 WeakPolarHBondContact O-CA 3.49Å; T167-I184 HydrophobicContact CG2-CD1 3.96Å; L171-I184 HydrophobicContact CB-CD1 3.98Å; L171-I184 HydrophobicContact CD1-CD1 4.05Å; M174-I184 HydrophobicContact SD-CD1 4.09Å; M174-I184 HydrophobicContact SD-CG1 3.85Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.47Å; I184-I225 HydrophobicContact CG1-CG2 4.45Å; I184-H226 PolarHBondContact N-O 3.39Å; I184-I227 HydrophobicContact CB-CD1 3.78Å; I184-I227 HydrophobicContact CD1-CD1 3.94Å; I184-I227 HydrophobicContact CG1-CD1 3.98Å; I184-I227 WeakPolarHBondContact O-CA 3.49Å; I184-Q228 PolarHBondContact O-N 3.2Å
185I98.7Very high96.7Very high0 Ų040.4 Ų40.40%021%0.207CC..EExtended strand (participates in β ladder)trans-108.7112.7-178.5-55.6178.3000108.3Y62 L127 V128 N129 A183 I187 Q228 V230 L260 L263Y62-I185 HydrophobicContact CD1-CD1 4.47Å; Y62-I185 HydrophobicContact CE1-CD1 3.81Å; Y62-I185 HydrophobicContact CE1-CG2 4.22Å; L127-I185 PolarHBondContact O-N 3.26Å; V128-I185 CarbonylContact C-O 3.55Å; V128-I185 WeakPolarHBondContact CA-O 3.49Å; V128-I185 HydrophobicContact CG2-CB 4.43Å; V128-I185 HydrophobicContact CG2-CD1 4.46Å; N129-I185 PolarHBondContact N-O 3.02Å; A183-I185 HydrophobicContact CB-CG1 4.43Å; I185-I187 HydrophobicContact CG2-CD1 4.08Å; I185-Q228 CarbonylContact C-O 3.54Å; I185-Q228 WeakPolarHBondContact CA-O 3.46Å; I185-V230 HydrophobicContact CG2-CG2 3.81Å; I185-L260 HydrophobicContact CD1-CD1 3.87Å; I185-L263 HydrophobicContact CD1-CD1 4.18Å; I185-L263 HydrophobicContact CG1-CD1 4.17Å
186N98.7Very high96.8Very high1 Ų138.7 Ų38.71%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-103.1120.6-179.9-64.5-28.3000110.1N129 I184 G188 V209 S213 Q228 T229 V230N129-N186 WeakPolarHBondContact CB-OD1 3.34Å; N129-N186 PolarHBondContact ND2-OD1 2.9Å; I184-N186 WeakPolarHBondContact CG2-OD1 3.47Å; N186-G188 PolarHBondContact O-N 3.26Å; N186-G188 VanDerWaalsContact O-N 3.16Å; N186-V209 HydrophobicContact CB-CG1 4.44Å; N186-S213 WeakPolarHBondContact CB-OG 3.47Å; N186-S213 PolarHBondContact ND2-OG 2.75Å; N186-Q228 PolarHBondContact N-O 2.85Å; N186-T229 WeakPolarHBondContact O-CA 3.3Å; N186-V230 PolarHBondContact O-N 3.34Å
187I98.6Very high96.7Very high8 Ų832.8 Ų32.84%0.04118%0.18CC..EExtended strand (participates in β ladder)trans-84.594.2177.5-50.7-54000109.6Y62 N129 N130 I185 K206 V230 P232Y62-I187 HydrophobicContact CE2-CD1 4.08Å; N129-I187 PolarHBondContact O-N 3.05Å; N130-I187 HydrophobicContact CB-CB 4.4Å; N130-I187 HydrophobicContact CB-CG1 3.61Å; I185-I187 HydrophobicContact CG2-CD1 4.08Å; I187-K206 PolarHBondContact O-NZ 2.95Å; I187-V230 CarbonylContact C-O 3.51Å; I187-V230 HydrophobicContact CD1-CB 3.87Å; I187-V230 HydrophobicContact CD1-CG1 4.36Å; I187-V230 HydrophobicContact CD1-CG2 4.33Å; I187-P232 HydrophobicContact CG2-CG 3.92Å
188G98.1Very high96.7Very high1 Ų132.6 Ų32.61%0.0118%0.179CC..  trans-77.4-145.3170.400000112.5N186 N210 V230N186-G188 PolarHBondContact O-N 3.26Å; N186-G188 VanDerWaalsContact O-N 3.16Å; G188-N210 WeakPolarHBondContact CA-OD1 3.32Å; G188-V230 WeakPolarHBondContact CA-O 3.48Å; G188-V230 PolarHBondContact N-O 3.29Å
189S98.1Very high96.8Very high13 Ų1324.5 Ų24.59%0.09114%0.142CC..  trans-161.3150171.3-177.10000109.4S191 G192 N210 P232S189-S191 WeakPolarHBondContact CB-OG 3.24Å; S189-S191 PolarHBondContact O-N 3.4Å; S189-S191 VanDerWaalsContact O-N 3.14Å; S189-S191 PolarHBondContact OG-N 2.83Å; S189-S191 VanDerWaalsContact OG-N 3.12Å; S189-S191 PolarHBondContact OG-OG 2.96Å; S189-S191 VanDerWaalsContact OG-OG 3.13Å; S189-G192 PolarHBondContact O-N 3.35Å; S189-G192 VanDerWaalsContact O-N 3.1Å; S189-N210 PolarHBondContact O-ND2 3.02Å; S189-P232 PolarHBondContact OG-O 2.76Å
190H97.6Very high96.8Very high12 Ų1224.2 Ų24.26%0.05614%0.142CC..G310 helixtrans-54.4-30165.7-177.4-41.9000111.2G192 Y193 F196 P232 M233 F270H190-G192 PolarHBondContact O-N 3.44Å; H190-Y193 WeakPolarHBondContact O-CD2 3.43Å; H190-Y193 PolarHBondContact O-N 3.23Å; H190-Y193 VanDerWaalsContact O-N 3.16Å; H190-F196 AromaticContact CE1-CZ 3.98Å; H190-F196 AromaticContact ND1-CE2 3.77Å; H190-F196 AromaticContact ND1-CZ 3.51Å; H190-P232 PolarHBondContact N-O 3.04Å; H190-M233 HydrophobicContact CB-CE 4.48Å; H190-M233 HydrophobicContact CB-CG 3.82Å; H190-M233 WeakPolarHBondContact CD2-CE 3.29Å; H190-F270 HydrophobicContact CB-CD1 4.49Å; H190-F270 HydrophobicContact CB-CE1 4.14Å; H190-F270 AromaticContact CD2-CE1 3.61Å
191S97Very high96.9Very high5 Ų521.1 Ų21.14%0.03512%0.123CC..G310 helixtrans-61.3-18.6-179.472.90000114.3S189 Y193 F196 Y202 S203S189-S191 WeakPolarHBondContact CB-OG 3.24Å; S189-S191 PolarHBondContact O-N 3.4Å; S189-S191 VanDerWaalsContact O-N 3.14Å; S189-S191 PolarHBondContact OG-N 2.83Å; S189-S191 VanDerWaalsContact OG-N 3.12Å; S189-S191 PolarHBondContact OG-OG 2.96Å; S189-S191 VanDerWaalsContact OG-OG 3.13Å; S191-Y193 VanDerWaalsContact C-N 3.34Å; S191-Y193 PolarHBondContact O-N 2.86Å; S191-F196 VanDerWaalsContact CA-CE2 3.43Å; S191-F196 WeakPolarHBondContact O-CD2 3.47Å; S191-Y202 WeakPolarHBondContact OG-CE1 3.31Å; S191-S203 WeakPolarHBondContact O-CB 3.39Å
192G97.2Very high97Very high15 Ų1523 Ų2316%0.15513%0.129CC..G310 helixtrans-78.2-5.2177.500000115.8S189 H190S189-G192 PolarHBondContact O-N 3.35Å; S189-G192 VanDerWaalsContact O-N 3.1Å; H190-G192 PolarHBondContact O-N 3.44Å
193Y95.6Very high97.1Very high88 Ų8823.6 Ų23.635%0.34513%0.133SC..G310 helixtrans-91.9-17.7-175.6-70.6-67000115.4H190 S191 C231 E268 F270H190-Y193 WeakPolarHBondContact O-CD2 3.43Å; H190-Y193 PolarHBondContact O-N 3.23Å; H190-Y193 VanDerWaalsContact O-N 3.16Å; S191-Y193 VanDerWaalsContact C-N 3.34Å; S191-Y193 PolarHBondContact O-N 2.86Å; Y193-C231 HydrophobicContact CE2-CB 3.78Å; Y193-C231 PolarHBondContact OH-SG 3.29Å; Y193-C231 VanDerWaalsContact OH-SG 3.35Å; Y193-E268 PolarHBondContact OH-OE1 3.48Å; Y193-F270 HydrophobicContact CD2-CE1 4.32Å; Y193-F270 AromaticContact CE2-CE1 3.82Å; Y193-F270 HydrophobicContact CE2-CE1 3.82Å; Y193-F270 HydrophobicContact CE2-CZ 4.03Å
194R94.2Very high97.1Very high52 Ų5226.4 Ų26.420%0.19616%0.157CC..SBendtrans-158172.3-17561.4-169.3-73.216515.5109.3F196 T282 L285 W290R194-F196 HydrophobicContact CG-CD2 3.83Å; R194-F196 HydrophobicContact CG-CE2 3.49Å; R194-F196 VanDerWaalsContact CG-CE2 3.49Å; R194-F196 WeakPolarHBondContact O-CD2 3.24Å; R194-F196 PolarHBondContact O-N 3.46Å; R194-T282 PolarHBondContact NH1-O 3.09Å; R194-L285 PolarHBondContact NH2-O 3.33Å; R194-W290 HydrophobicContact CG-CZ2 4.39Å; R194-W290 VanDerWaalsContact CZ-CE3 3.43Å; R194-W290 VanDerWaalsContact NE-CD2 3.28Å; R194-W290 VanDerWaalsContact NH2-CD2 3.26Å
195A95.5Very high97.1Very high76 Ų7626.5 Ų26.563%0.62816%0.158SC*.  trans-61.5125.3172.400000111.1P197 W290A195-P197 WeakPolarHBondContact O-CD 3.32Å; A195-W290 PolarHBondContact O-NE1 2.87Å
196F95.9Very high97.1Very high22 Ų2226.8 Ų26.810%0.09616%0.159CC..  trans-115.491.3168.8-86.8-111.9000109.3H190 S191 R194 L199 S200 W290 M294H190-F196 AromaticContact CE1-CZ 3.98Å; H190-F196 AromaticContact ND1-CE2 3.77Å; H190-F196 AromaticContact ND1-CZ 3.51Å; S191-F196 VanDerWaalsContact CA-CE2 3.43Å; S191-F196 WeakPolarHBondContact O-CD2 3.47Å; R194-F196 HydrophobicContact CG-CD2 3.83Å; R194-F196 HydrophobicContact CG-CE2 3.49Å; R194-F196 VanDerWaalsContact CG-CE2 3.49Å; R194-F196 WeakPolarHBondContact O-CD2 3.24Å; R194-F196 PolarHBondContact O-N 3.46Å; F196-L199 HydrophobicContact CB-CB 4.08Å; F196-L199 HydrophobicContact CD1-CD1 4.09Å; F196-L199 CarbonylContact O-C 3.49Å; F196-L199 PolarHBondContact O-N 3.38Å; F196-L199 VanDerWaalsContact O-N 3.16Å; F196-S200 PolarHBondContact O-N 3.45Å; F196-W290 AromaticContact CD1-CZ2 3.88Å; F196-W290 HydrophobicContact CD1-CZ2 3.88Å; F196-W290 AromaticContact CD2-CZ2 3.92Å; F196-W290 HydrophobicContact CD2-CZ2 3.92Å; F196-W290 AromaticContact CE1-CH2 3.79Å; F196-W290 HydrophobicContact CE1-CH2 3.79Å; F196-W290 AromaticContact CE1-CZ2 3.49Å; F196-W290 HydrophobicContact CE1-CZ2 3.49Å; F196-W290 VanDerWaalsContact CE1-CZ2 3.49Å; F196-W290 HydrophobicContact CE2-CH2 4.11Å; F196-W290 AromaticContact CE2-CZ2 3.49Å; F196-W290 HydrophobicContact CE2-CZ2 3.49Å; F196-W290 VanDerWaalsContact CE2-CZ2 3.49Å; F196-W290 HydrophobicContact CG-CZ2 4.11Å; F196-W290 AromaticContact CZ-CH2 3.53Å; F196-W290 HydrophobicContact CZ-CH2 3.53Å; F196-W290 AromaticContact CZ-CZ2 3.29Å; F196-W290 HydrophobicContact CZ-CZ2 3.29Å; F196-M294 HydrophobicContact CB-CE 4.45Å; F196-M294 HydrophobicContact CD1-CE 3.75Å; F196-M294 HydrophobicContact CD1-SD 3.97Å; F196-M294 HydrophobicContact CE1-SD 4.28Å; F196-M294 HydrophobicContact CG-CE 4.45Å
197P95Very high97.1Very high40 Ų4028.5 Ų28.526%0.2617%0.173SC..THydrogen-bonded Turntrans-49.8146.4170.3-26.234.4000111A195 L199 M294A195-P197 WeakPolarHBondContact O-CD 3.32Å; P197-L199 PolarHBondContact O-N 3.01Å; P197-L199 VanDerWaalsContact O-N 3.11Å; P197-M294 HydrophobicContact CB-CB 4.44Å; P197-M294 HydrophobicContact CG-CB 4.36Å; P197-M294 WeakPolarHBondContact O-CE 3.37Å
198F96Very high97.1Very high17 Ų1732.2 Ų32.28%0.07519%0.189CC..THydrogen-bonded Turntrans70.1-5-178.8-37.2-61.5000116L138 D139 Y140 M294 L295 K298L138-F198 HydrophobicContact CB-CB 3.88Å; D139-F198 PolarHBondContact N-O 2.96Å; D139-F198 VanDerWaalsContact O-CA 3.28Å; D139-F198 WeakPolarHBondContact O-CA 3.48Å; Y140-F198 HydrophobicContact CD1-CD1 4.44Å; Y140-F198 AromaticContact CD1-CE1 3.85Å; Y140-F198 HydrophobicContact CD1-CE1 3.85Å; Y140-F198 HydrophobicContact CD2-CE1 4.3Å; Y140-F198 AromaticContact CE1-CE1 3.59Å; Y140-F198 HydrophobicContact CE1-CE1 3.59Å; Y140-F198 HydrophobicContact CE1-CZ 4.34Å; Y140-F198 HydrophobicContact CE2-CE1 4.06Å; Y140-F198 HydrophobicContact CG-CD1 4.45Å; Y140-F198 HydrophobicContact CG-CE1 4.2Å; Y140-F198 AromaticContact CZ-CE1 3.69Å; F198-M294 HydrophobicContact CE2-CB 4.4Å; F198-L295 HydrophobicContact CE2-CD2 4.02Å; F198-L295 HydrophobicContact CE2-CG 4.21Å; F198-L295 HydrophobicContact CZ-CD2 3.52Å; F198-L295 HydrophobicContact CZ-CG 4.12Å; F198-K298 HydrophobicContact CD1-CD 3.69Å; F198-K298 HydrophobicContact CD2-CB 3.78Å; F198-K298 HydrophobicContact CD2-CD 4.12Å; F198-K298 HydrophobicContact CD2-CG 4.27Å; F198-K298 HydrophobicContact CE1-CD 3.79Å; F198-K298 HydrophobicContact CE2-CB 4.04Å; F198-K298 HydrophobicContact CE2-CD 4.21Å; F198-K298 HydrophobicContact CG-CB 4.22Å; F198-K298 HydrophobicContact CG-CD 3.88Å; F198-K298 HydrophobicContact CG-CG 4.21Å; F198-K298 HydrophobicContact CZ-CD 4.06Å
199L95.8Very high97.1Very high23 Ų2332.1 Ų32.112%0.1219%0.188CC..  trans-124.119.6171.5-71.8173.3000111.3V135 L138 F196 P197 L201 Y202 S203V135-L199 HydrophobicContact CG2-CD2 3.42Å; V135-L199 VanDerWaalsContact CG2-CD2 3.42Å; L138-L199 HydrophobicContact CD2-CD1 3.95Å; L138-L199 HydrophobicContact CD2-CD2 3.28Å; L138-L199 HydrophobicContact CD2-CG 3.42Å; L138-L199 VanDerWaalsContact CD2-CG 3.42Å; F196-L199 HydrophobicContact CB-CB 4.08Å; F196-L199 HydrophobicContact CD1-CD1 4.09Å; F196-L199 CarbonylContact O-C 3.49Å; F196-L199 PolarHBondContact O-N 3.38Å; F196-L199 VanDerWaalsContact O-N 3.16Å; P197-L199 PolarHBondContact O-N 3.01Å; P197-L199 VanDerWaalsContact O-N 3.11Å; L199-L201 PolarHBondContact O-N 3.35Å; L199-Y202 PolarHBondContact O-N 3.47Å; L199-Y202 VanDerWaalsContact O-N 3.14Å; L199-S203 WeakPolarHBondContact O-CB 3.02Å; L199-S203 PolarHBondContact O-N 3.31Å; L199-S203 PolarHBondContact O-OG 3.45Å
200S96.4Very high97.1Very high47 Ų4731.6 Ų31.633%0.32918%0.184SC..Hα-helixtrans-48.9-55-165.651.80000112.9Y141 F196 S203 A204Y141-S200 VanDerWaalsContact CD2-OG 3.3Å; Y141-S200 WeakPolarHBondContact CD2-OG 3.5Å; F196-S200 PolarHBondContact O-N 3.45Å; S200-S203 WeakPolarHBondContact CA-OG 3.44Å; S200-S203 PolarHBondContact O-N 2.84Å; S200-S203 PolarHBondContact O-OG 2.88Å; S200-A204 WeakPolarHBondContact O-CB 3.47Å; S200-A204 PolarHBondContact O-N 3.13Å
201L97Very high97.2Very high23 Ų2335.8 Ų35.812%0.1220%0.204CC..Hα-helixtrans-64.3-47.3-178.5-17357.7000112.5Y141 F151 I152 I155 V156 L199 S203 A204 T205Y141-L201 HydrophobicContact CE2-CB 4.42Å; F151-L201 HydrophobicContact CD1-CD2 4.1Å; F151-L201 HydrophobicContact CE1-CD2 4.04Å; I152-L201 HydrophobicContact CB-CD2 4.35Å; I152-L201 HydrophobicContact CG1-CD2 3.83Å; I155-L201 HydrophobicContact CG2-CD1 4.39Å; I155-L201 HydrophobicContact CG2-CD2 3.45Å; I155-L201 VanDerWaalsContact CG2-CD2 3.45Å; I155-L201 HydrophobicContact CG2-CG 3.68Å; V156-L201 HydrophobicContact CG2-CD1 4.31Å; L199-L201 PolarHBondContact O-N 3.35Å; L201-S203 PolarHBondContact O-N 3.46Å; L201-A204 PolarHBondContact O-N 2.91Å; L201-T205 WeakPolarHBondContact O-CG2 3.35Å; L201-T205 PolarHBondContact O-N 3.12Å
202Y98.1Very high97.2Very high40 Ų4037.8 Ų37.816%0.15721%0.214CC..Hα-helixtrans-59.3-48.4175.7176.9-94.1000112M133 I155 S191 L199 A204 T205 K206M133-Y202 VanDerWaalsContact O-CD2 3.27Å; M133-Y202 WeakPolarHBondContact O-CD2 3.46Å; M133-Y202 WeakPolarHBondContact O-CE2 3.31Å; I155-Y202 HydrophobicContact CD1-CD2 4.42Å; S191-Y202 WeakPolarHBondContact OG-CE1 3.31Å; L199-Y202 PolarHBondContact O-N 3.47Å; L199-Y202 VanDerWaalsContact O-N 3.14Å; Y202-A204 VanDerWaalsContact C-N 3.31Å; Y202-A204 PolarHBondContact O-N 2.99Å; Y202-T205 PolarHBondContact O-N 2.68Å; Y202-T205 VanDerWaalsContact O-N 3.16Å; Y202-T205 PolarHBondContact O-OG1 2.64Å; Y202-K206 HydrophobicContact CD1-CG 4.35Å; Y202-K206 HydrophobicContact CE1-CG 3.87Å; Y202-K206 HydrophobicContact CE2-CG 4.3Å; Y202-K206 PolarHBondContact O-N 3.27Å
203S98.1Very high97.3Very high12 Ų1237 Ų378%0.08421%0.206CC..Hα-helixtrans-61.5-38.6179.563.10000112.4S191 L199 S200 L201 K206 A207S191-S203 WeakPolarHBondContact O-CB 3.39Å; L199-S203 WeakPolarHBondContact O-CB 3.02Å; L199-S203 PolarHBondContact O-N 3.31Å; L199-S203 PolarHBondContact O-OG 3.45Å; S200-S203 WeakPolarHBondContact CA-OG 3.44Å; S200-S203 PolarHBondContact O-N 2.84Å; S200-S203 PolarHBondContact O-OG 2.88Å; L201-S203 PolarHBondContact O-N 3.46Å; S203-K206 PolarHBondContact O-N 3.4Å; S203-A207 PolarHBondContact O-N 3.46Å
204A98.5Very high97.3Very high59 Ų5935.7 Ų35.749%0.48820%0.201SC..Hα-helixtrans-63.3-45.4173.800000111.5S200 L201 Y202 K206 A207 F208S200-A204 WeakPolarHBondContact O-CB 3.47Å; S200-A204 PolarHBondContact O-N 3.13Å; L201-A204 PolarHBondContact O-N 2.91Å; Y202-A204 VanDerWaalsContact C-N 3.31Å; Y202-A204 PolarHBondContact O-N 2.99Å; A204-K206 VanDerWaalsContact C-N 3.28Å; A204-K206 PolarHBondContact O-N 3.31Å; A204-A207 WeakPolarHBondContact O-CB 3.38Å; A204-A207 PolarHBondContact O-N 3.05Å; A204-F208 PolarHBondContact O-N 3.14Å; A204-F208 VanDerWaalsContact O-N 3.15Å
205T98.7Very high97.5Very high3 Ų335.6 Ų35.62%0.01821%0.208CC..Hα-helixtrans-60.7-37.8175660000111.7V156 N159 N160 L201 Y202 F208 V209V156-T205 HydrophobicContact CG2-CG2 4.15Å; N159-T205 HydrophobicContact CB-CG2 4.14Å; N159-T205 WeakPolarHBondContact CB-OG1 3.07Å; N159-T205 PolarHBondContact ND2-OG1 3.42Å; N160-T205 WeakPolarHBondContact ND2-CA 3.39Å; N160-T205 WeakPolarHBondContact ND2-CB 3.3Å; N160-T205 PolarHBondContact ND2-O 3.23Å; L201-T205 WeakPolarHBondContact O-CG2 3.35Å; L201-T205 PolarHBondContact O-N 3.12Å; Y202-T205 PolarHBondContact O-N 2.68Å; Y202-T205 VanDerWaalsContact O-N 3.16Å; Y202-T205 PolarHBondContact O-OG1 2.64Å; T205-F208 WeakPolarHBondContact O-CB 3.48Å; T205-F208 PolarHBondContact O-N 2.84Å; T205-V209 WeakPolarHBondContact O-CG2 3.36Å; T205-V209 PolarHBondContact O-N 2.9Å
206K98.6Very high97.5Very high6 Ų633 Ų333%0.02618%0.183CC..Hα-helixtrans-76.7-25.8177.9-66.1-59.9-168.91790113.4I187 Y202 S203 A204 F208 V209 N210I187-K206 PolarHBondContact O-NZ 2.95Å; Y202-K206 HydrophobicContact CD1-CG 4.35Å; Y202-K206 HydrophobicContact CE1-CG 3.87Å; Y202-K206 HydrophobicContact CE2-CG 4.3Å; Y202-K206 PolarHBondContact O-N 3.27Å; S203-K206 PolarHBondContact O-N 3.4Å; A204-K206 VanDerWaalsContact C-N 3.28Å; A204-K206 PolarHBondContact O-N 3.31Å; K206-F208 VanDerWaalsContact C-N 3.34Å; K206-V209 HydrophobicContact CD-CG2 4.24Å; K206-V209 WeakPolarHBondContact O-CB 3.49Å; K206-V209 PolarHBondContact O-N 3.37Å; K206-N210 PolarHBondContact O-N 3.01Å; K206-N210 PolarHBondContact O-OD1 3.16Å; K206-N210 VanDerWaalsContact O-OD1 3.11Å
207A98.6Very high97.5Very high36 Ų3632.4 Ų32.430%0.29818%0.182SC..Hα-helixtrans-63.2-41.1168.800000111.6S203 A204 V209 N210 Q211S203-A207 PolarHBondContact O-N 3.46Å; A204-A207 WeakPolarHBondContact O-CB 3.38Å; A204-A207 PolarHBondContact O-N 3.05Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 3.19Å; A207-N210 PolarHBondContact O-N 3.11Å; A207-Q211 WeakPolarHBondContact O-CB 3.32Å; A207-Q211 PolarHBondContact O-N 3.1Å
208F98.7Very high97.4Very high86 Ų8638.2 Ų38.238%0.37720%0.2SC..Hα-helixtrans-55.9-48.2171.3171.2-82.3000111.4N160 A164 A204 T205 K206 N210 Q211 L212N160-F208 HydrophobicContact CB-CD1 3.62Å; N160-F208 HydrophobicContact CB-CE1 3.67Å; N160-F208 HydrophobicContact CB-CG 4.19Å; N160-F208 HydrophobicContact CB-CZ 4.26Å; N160-F208 VanDerWaalsContact CG-CD1 3.48Å; N160-F208 WeakPolarHBondContact ND2-CD1 3.48Å; A164-F208 HydrophobicContact CB-CZ 4.42Å; A204-F208 PolarHBondContact O-N 3.14Å; A204-F208 VanDerWaalsContact O-N 3.15Å; T205-F208 WeakPolarHBondContact O-CB 3.48Å; T205-F208 PolarHBondContact O-N 2.84Å; K206-F208 VanDerWaalsContact C-N 3.34Å; F208-N210 PolarHBondContact O-N 3.08Å; F208-Q211 PolarHBondContact O-N 2.96Å; F208-L212 HydrophobicContact CE1-CB 4.49Å; F208-L212 HydrophobicContact CE1-CD2 3.75Å; F208-L212 HydrophobicContact CZ-CD2 3.91Å; F208-L212 WeakPolarHBondContact O-CB 3.46Å; F208-L212 PolarHBondContact O-N 3.49Å
209V98.6Very high97.3Very high0 Ų044.1 Ų44.10%023%0.227CC..Hα-helixtrans-57.8-51178.7171.90000111.5N159 I163 N186 T205 K206 A207 Q211 S213N159-V209 WeakPolarHBondContact O-CG2 3.38Å; I163-V209 HydrophobicContact CD1-CB 3.93Å; I163-V209 HydrophobicContact CD1-CG1 3.53Å; I163-V209 HydrophobicContact CD1-CG2 3.19Å; N186-V209 HydrophobicContact CB-CG1 4.44Å; T205-V209 WeakPolarHBondContact O-CG2 3.36Å; T205-V209 PolarHBondContact O-N 2.9Å; K206-V209 HydrophobicContact CD-CG2 4.24Å; K206-V209 WeakPolarHBondContact O-CB 3.49Å; K206-V209 PolarHBondContact O-N 3.37Å; A207-V209 VanDerWaalsContact C-N 3.34Å; A207-V209 PolarHBondContact O-N 3.19Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.04Å; V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 3.12Å; V209-S213 PolarHBondContact O-OG 3.11Å
210N98.4Very high96.9Very high2 Ų245.2 Ų45.21%0.01123%0.232CC..Hα-helixtrans-61.7-44.4-177.9-63.42.9000110.5G188 S189 K206 A207 F208 R214G188-N210 WeakPolarHBondContact CA-OD1 3.32Å; S189-N210 PolarHBondContact O-ND2 3.02Å; K206-N210 PolarHBondContact O-N 3.01Å; K206-N210 PolarHBondContact O-OD1 3.16Å; K206-N210 VanDerWaalsContact O-OD1 3.11Å; A207-N210 PolarHBondContact O-N 3.11Å; F208-N210 PolarHBondContact O-N 3.08Å; N210-R214 VanDerWaalsContact O-CB 3.3Å; N210-R214 WeakPolarHBondContact O-CB 3.45Å; N210-R214 PolarHBondContact O-N 3.45Å
211Q98.4Very high95.5Very high100 Ų10048.4 Ų48.447%0.46725%0.254SS..Hα-helixtrans-69.5-44.2-178.1-175.956.53900113A207 F208 V209 R214 S215A207-Q211 WeakPolarHBondContact O-CB 3.32Å; A207-Q211 PolarHBondContact O-N 3.1Å; F208-Q211 PolarHBondContact O-N 2.96Å; V209-Q211 VanDerWaalsContact C-N 3.33Å; V209-Q211 PolarHBondContact O-N 3.04Å; Q211-R214 PolarHBondContact O-N 3.3Å; Q211-S215 PolarHBondContact NE2-OG 3.02Å; Q211-S215 PolarHBondContact O-N 3.49Å; Q211-S215 PolarHBondContact O-OG 3.17Å
212L98.4Very high94.3Very high46 Ų4649.4 Ų49.424%0.24127%0.27CS..Hα-helixtrans-61.5-47.5177.617962.1000110.6I163 A164 F208 R214 S215 I216I163-L212 HydrophobicContact CG2-CD2 4.19Å; A164-L212 HydrophobicContact CB-CD2 3.95Å; F208-L212 HydrophobicContact CE1-CB 4.49Å; F208-L212 HydrophobicContact CE1-CD2 3.75Å; F208-L212 HydrophobicContact CZ-CD2 3.91Å; F208-L212 WeakPolarHBondContact O-CB 3.46Å; F208-L212 PolarHBondContact O-N 3.49Å; L212-R214 PolarHBondContact O-N 3.03Å; L212-S215 PolarHBondContact O-N 2.94Å; L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 4.31Å; L212-I216 HydrophobicContact CG-CD1 3.9Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.44Å
213S97.9Very high93.4Very high0 Ų053.3 Ų53.30%029%0.294CS..Hα-helixtrans-63.1-43.1-179.2-53.80000112N186 V209 S215 I216 S217 T229N186-S213 WeakPolarHBondContact CB-OG 3.47Å; N186-S213 PolarHBondContact ND2-OG 2.75Å; V209-S213 VanDerWaalsContact O-CB 3.25Å; V209-S213 WeakPolarHBondContact O-CB 3.45Å; V209-S213 PolarHBondContact O-N 3.12Å; V209-S213 PolarHBondContact O-OG 3.11Å; S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 2.78Å; S213-I216 PolarHBondContact O-N 3.13Å; S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 3.34Å; S213-T229 WeakPolarHBondContact CB-OG1 2.95Å
214R96.6Very high93.1Very high60 Ų6057.6 Ų57.623%0.22631%0.308CS..Hα-helixtrans-59.5-43.9174.8-174.1-175.6-59.6116.37.9111.6N210 Q211 L212 S217 Y218 E268N210-R214 VanDerWaalsContact O-CB 3.3Å; N210-R214 WeakPolarHBondContact O-CB 3.45Å; N210-R214 PolarHBondContact O-N 3.45Å; Q211-R214 PolarHBondContact O-N 3.3Å; L212-R214 PolarHBondContact O-N 3.03Å; R214-S217 WeakPolarHBondContact O-CB 3.35Å; R214-S217 PolarHBondContact O-N 3.39Å; R214-Y218 HydrophobicContact CG-CD2 4.24Å; R214-Y218 HydrophobicContact CG-CE2 3.85Å; R214-Y218 WeakPolarHBondContact O-CD2 3.36Å; R214-Y218 PolarHBondContact O-N 3.28Å; R214-E268 IonicContact CZ-OE1 2.7Å; R214-E268 IonicContact CZ-OE2 2.68Å; R214-E268 IonicContact NE-OE1 2.88Å; R214-E268 IonicContact NE-OE2 3.29Å; R214-E268 PolarHBondContact NE-OE2 3.24Å; R214-E268 VanDerWaalsContact NH2-CD 3.29Å; R214-E268 IonicContact NH2-OE1 3.77Å; R214-E268 PolarHBondContact NH2-OE1 3.13Å; R214-E268 IonicContact NH2-OE2 3.77Å; R214-E268 PolarHBondContact NH2-OE2 3.21Å; R214-E268 VanDerWaalsContact NH2-OE2 3.08Å
215S97.3Very high93Very high49 Ų4955 Ų5534%0.34329%0.286SS..Hα-helixtrans-63.6-48-178.7-51.40000111Q211 L212 S213 S217 Y218 E219Q211-S215 PolarHBondContact NE2-OG 3.02Å; Q211-S215 PolarHBondContact O-N 3.49Å; Q211-S215 PolarHBondContact O-OG 3.17Å; L212-S215 PolarHBondContact O-N 2.94Å; S213-S215 VanDerWaalsContact C-N 3.33Å; S213-S215 PolarHBondContact O-N 2.78Å; S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.91Å; S215-Y218 PolarHBondContact O-N 3.22Å; S215-E219 PolarHBondContact O-N 3.41Å
216I96Very high92.9Very high22 Ų2256.1 Ų56.111%0.11329%0.291CS..Hα-helixtrans-64.5-35.2177.9-61.3169.9000111.6T167 L171 L212 S213 Y218 E219 H220 I227T167-I216 HydrophobicContact CG2-CD1 3.98Å; L171-I216 HydrophobicContact CD2-CG2 4.16Å; L212-I216 HydrophobicContact CD1-CD1 3.85Å; L212-I216 HydrophobicContact CD1-CG1 4.31Å; L212-I216 HydrophobicContact CG-CD1 3.9Å; L212-I216 WeakPolarHBondContact O-CG1 3.43Å; L212-I216 PolarHBondContact O-N 3.44Å; S213-I216 PolarHBondContact O-N 3.13Å; I216-Y218 VanDerWaalsContact C-N 3.3Å; I216-Y218 PolarHBondContact O-N 2.82Å; I216-E219 PolarHBondContact O-N 3.37Å; I216-H220 PolarHBondContact O-CD2 3.46Å; I216-H220 PolarHBondContact O-N 2.68Å; I216-I227 HydrophobicContact CG2-CD1 4.22Å; I216-I227 HydrophobicContact CG2-CG1 4.13Å; I216-I227 HydrophobicContact CG2-CG2 4.41Å
217S95.4Very high92.8Very high9 Ų956.2 Ų56.26%0.06329%0.292CS..Hα-helixtrans-58.1-43.3175.6-170.30000111.9S213 R214 S215 E219 H220 I227 E267S213-S217 WeakPolarHBondContact O-CB 3.44Å; S213-S217 PolarHBondContact O-N 3.34Å; R214-S217 WeakPolarHBondContact O-CB 3.35Å; R214-S217 PolarHBondContact O-N 3.39Å; S215-S217 VanDerWaalsContact C-N 3.32Å; S215-S217 PolarHBondContact O-N 2.91Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.05Å; S217-H220 CarbonylContact O-C 3.56Å; S217-H220 PolarHBondContact O-N 3.49Å; S217-I227 PolarHBondContact OG-O 3.47Å; S217-E267 VanDerWaalsContact OG-CD 3.3Å; S217-E267 PolarHBondContact OG-OE2 3.31Å
218Y93.6Very high92.7Very high163 Ų16354.6 Ų54.664%0.63928%0.278SS*.Hα-helixtrans-70.2-25.8-176.6-79.9-130.8000112.2R214 S215 I216 H220R214-Y218 HydrophobicContact CG-CD2 4.24Å; R214-Y218 HydrophobicContact CG-CE2 3.85Å; R214-Y218 WeakPolarHBondContact O-CD2 3.36Å; R214-Y218 PolarHBondContact O-N 3.28Å; S215-Y218 PolarHBondContact O-N 3.22Å; I216-Y218 VanDerWaalsContact C-N 3.3Å; I216-Y218 PolarHBondContact O-N 2.82Å; Y218-H220 VanDerWaalsContact C-N 3.27Å; Y218-H220 PolarHBondContact O-N 3.25Å
219E94.2Very high92.7Very high140 Ų14050.5 Ų50.565%0.65426%0.26SS*.Hα-helixtrans-73.4-18.6173.8-65.6173.1-151.700112.9S215 I216 S217S215-E219 PolarHBondContact O-N 3.41Å; I216-E219 PolarHBondContact O-N 3.37Å; S217-E219 VanDerWaalsContact C-N 3.27Å; S217-E219 PolarHBondContact O-N 3.05Å
220H87Confident92.7Very high47 Ų4750.5 Ų50.522%0.21826%0.26CS..THydrogen-bonded Turntrans-119.842.6-175.6-67.4-54.7000112.9I216 S217 Y218 G222 I227I216-H220 PolarHBondContact O-CD2 3.46Å; I216-H220 PolarHBondContact O-N 2.68Å; S217-H220 CarbonylContact O-C 3.56Å; S217-H220 PolarHBondContact O-N 3.49Å; Y218-H220 VanDerWaalsContact C-N 3.27Å; Y218-H220 PolarHBondContact O-N 3.25Å; H220-G222 PolarHBondContact O-N 3.02Å; H220-I227 HydrophobicContact CB-CG1 4.44Å
221S66.4Low92.7Very high113 Ų11350.4 Ų50.479%0.7926%0.26SS*.  trans-6392.817352.30000111.4
222G73.3Confident92.7Very high45 Ų4546.2 Ų46.246%0.46424%0.241SC..SBendtrans171.2171.7177.800000113.2H220 R224H220-G222 PolarHBondContact O-N 3.02Å; G222-R224 PolarHBondContact O-N 3.43Å
223N79Confident92.6Very high122 Ų12245.5 Ų45.565%0.65224%0.237SC*.SBendtrans-80.87.5-178.6-65.9-33.3000113.7G181G181-N223 PolarHBondContact N-O 3.01Å
224R91.3Very high92.4Very high101 Ų10148.1 Ų48.138%0.38125%0.248SC..SBendtrans-80.1-51.4-175.4-168171.9-171.3-160.4-0.1112.2L175 Q177 T180 G181 M182 G222L175-R224 VanDerWaalsContact O-CZ 3.25Å; L175-R224 PolarHBondContact O-NH1 3.31Å; L175-R224 PolarHBondContact O-NH2 2.76Å; Q177-R224 PolarHBondContact O-NH2 3.37Å; T180-R224 HydrophobicContact CG2-CB 4.44Å; T180-R224 HydrophobicContact CG2-CG 4.21Å; G181-R224 PolarHBondContact N-O 3.29Å; M182-R224 HydrophobicContact CE-CG 4.21Å; M182-R224 PolarHBondContact N-O 2.99Å; M182-R224 VanDerWaalsContact N-O 3.15Å; G222-R224 PolarHBondContact O-N 3.43Å
225I96.1Very high92.3Very high5 Ų545.4 Ų45.43%0.02624%0.238CC..EExtended strand (participates in β ladder)trans-136.4120.6179.3-54.1-177000108.5L171 M174 L175 M182 I184 I227L171-I225 HydrophobicContact CD1-CD1 3.61Å; L171-I225 HydrophobicContact CD1-CG2 4.37Å; M174-I225 HydrophobicContact CB-CD1 3.73Å; L175-I225 HydrophobicContact CD2-CD1 3.51Å; L175-I225 HydrophobicContact CD2-CG1 4.4Å; L175-I225 HydrophobicContact CG-CD1 3.72Å; M182-I225 HydrophobicContact CB-CG1 4.13Å; M182-I225 HydrophobicContact CB-CG2 4.5Å; M182-I225 HydrophobicContact CE-CD1 4.45Å; M182-I225 HydrophobicContact CE-CG1 4.03Å; M182-I225 CarbonylContact O-C 3.59Å; M182-I225 WeakPolarHBondContact O-CA 3.37Å; I184-I225 HydrophobicContact CG1-CG2 4.45Å; I225-I227 HydrophobicContact CG2-CD1 3.78Å
226H96.2Very high92.1Very high27 Ų2743.7 Ų43.713%0.12523%0.227CC..EExtended strand (participates in β ladder)trans-87.3118.9173.1-62.4-71.5000109.9M182 A183 I184 L263M182-H226 PolarHBondContact O-N 3.15Å; A183-H226 CarbonylContact C-O 3.56Å; A183-H226 WeakPolarHBondContact CA-O 3.17Å; A183-H226 HydrophobicContact CB-CB 4.32Å; I184-H226 PolarHBondContact N-O 3.39Å; H226-L263 HydrophobicContact CB-CD1 4.34Å
227I97.2Very high91.9Very high7 Ų743.2 Ų43.24%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-99.1112.4171.3-50.2-62.6000107.2I184 I216 S217 H220 I225I184-I227 HydrophobicContact CB-CD1 3.78Å; I184-I227 HydrophobicContact CD1-CD1 3.94Å; I184-I227 HydrophobicContact CG1-CD1 3.98Å; I184-I227 WeakPolarHBondContact O-CA 3.49Å; I216-I227 HydrophobicContact CG2-CD1 4.22Å; I216-I227 HydrophobicContact CG2-CG1 4.13Å; I216-I227 HydrophobicContact CG2-CG2 4.41Å; S217-I227 PolarHBondContact OG-O 3.47Å; H220-I227 HydrophobicContact CB-CG1 4.44Å; I225-I227 HydrophobicContact CG2-CD1 3.78Å
228Q97.6Very high91.4Very high2 Ų244.9 Ų44.91%0.00924%0.239CC..EExtended strand (participates in β ladder)trans-117.4134.1-178.4-178.6171.967.400110.9I184 I185 N186 V230 M262 L263 E266 E267 T269I184-Q228 PolarHBondContact O-N 3.2Å; I185-Q228 CarbonylContact C-O 3.54Å; I185-Q228 WeakPolarHBondContact CA-O 3.46Å; N186-Q228 PolarHBondContact N-O 2.85Å; Q228-V230 HydrophobicContact CG-CG2 4.2Å; Q228-M262 PolarHBondContact NE2-O 3.2Å; Q228-L263 HydrophobicContact CB-CD1 4.24Å; Q228-E266 PolarHBondContact NE2-O 2.95Å; Q228-E267 CarbonylContact C-O 3.48Å; Q228-E267 WeakPolarHBondContact CA-O 3.4Å; Q228-T269 HydrophobicContact CG-CG2 4.35Å
229T98.5Very high90.9Very high1 Ų141.9 Ų41.91%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-102.9120.7167.5-44.80000109.2N186 S213 E267 E268 T269N186-T229 WeakPolarHBondContact O-CA 3.3Å; S213-T229 WeakPolarHBondContact CB-OG1 2.95Å; T229-E267 PolarHBondContact N-O 2.88Å; T229-E268 WeakPolarHBondContact O-CA 3.2Å; T229-T269 PolarHBondContact O-N 3.45Å
230V98.7Very high90.3Very high0 Ų037.6 Ų37.60%021%0.214CC..EExtended strand (participates in β ladder)trans-100.6124.7171.8-179.70000107.5I185 N186 I187 G188 Q228 P232 Y255 A259 T269I185-V230 HydrophobicContact CG2-CG2 3.81Å; N186-V230 PolarHBondContact O-N 3.34Å; I187-V230 CarbonylContact C-O 3.51Å; I187-V230 HydrophobicContact CD1-CB 3.87Å; I187-V230 HydrophobicContact CD1-CG1 4.36Å; I187-V230 HydrophobicContact CD1-CG2 4.33Å; G188-V230 WeakPolarHBondContact CA-O 3.48Å; G188-V230 PolarHBondContact N-O 3.29Å; Q228-V230 HydrophobicContact CG-CG2 4.2Å; V230-P232 VanDerWaalsContact C-CD 3.43Å; V230-P232 WeakPolarHBondContact O-CD 3.37Å; V230-Y255 HydrophobicContact CG1-CE1 4.3Å; V230-Y255 WeakPolarHBondContact CG1-OH 3.5Å; V230-A259 HydrophobicContact CG1-CB 4.16Å; V230-T269 CarbonylContact C-O 3.27Å; V230-T269 WeakPolarHBondContact CA-O 3.33Å; V230-T269 HydrophobicContact CB-CG2 4.41Å; V230-T269 HydrophobicContact CG1-CG2 4.49Å; V230-T269 HydrophobicContact CG2-CG2 3.9Å
231C98.4Very high90Very high0 Ų038.2 Ų38.20%023%0.232CC..  trans-116.373.5-172.7-730000111.5Y193 T269 F270Y193-C231 HydrophobicContact CE2-CB 3.78Å; Y193-C231 PolarHBondContact OH-SG 3.29Å; Y193-C231 VanDerWaalsContact OH-SG 3.35Å; C231-T269 PolarHBondContact N-O 3.41Å; C231-F270 HydrophobicContact CB-CD1 4.27Å; C231-F270 HydrophobicContact CB-CE1 4.37Å; C231-F270 VanDerWaalsContact O-CD1 3.26Å; C231-F270 WeakPolarHBondContact O-CD1 3.44Å
232P98Very high90.7Very high11 Ų1140.1 Ų40.17%0.07122%0.223CC..  trans-59154.3-178.6-9.914.9000113.1I58 I187 S189 H190 V230 V235 Y255I58-P232 HydrophobicContact CD1-CG 4.14Å; I187-P232 HydrophobicContact CG2-CG 3.92Å; S189-P232 PolarHBondContact OG-O 2.76Å; H190-P232 PolarHBondContact N-O 3.04Å; V230-P232 VanDerWaalsContact C-CD 3.43Å; V230-P232 WeakPolarHBondContact O-CD 3.37Å; P232-V235 HydrophobicContact CB-CG2 4.22Å; P232-Y255 VanDerWaalsContact CA-OH 3.31Å; P232-Y255 WeakPolarHBondContact CA-OH 3.36Å; P232-Y255 HydrophobicContact CB-CE1 4.19Å; P232-Y255 HydrophobicContact CB-CE2 4.1Å; P232-Y255 VanDerWaalsContact CB-OH 3.26Å; P232-Y255 WeakPolarHBondContact CB-OH 3.42Å; P232-Y255 HydrophobicContact CG-CE1 4.01Å; P232-Y255 WeakPolarHBondContact CG-OH 3.46Å
233M95.8Very high91Very high31 Ų3139.3 Ų39.315%0.15321%0.21CC..  trans-96.4-152.2154.2-53.1-17393.300109.3H190 V235 H275 K278H190-M233 HydrophobicContact CB-CE 4.48Å; H190-M233 HydrophobicContact CB-CG 3.82Å; H190-M233 WeakPolarHBondContact CD2-CE 3.29Å; M233-V235 PolarHBondContact O-N 3.24Å; M233-H275 HydrophobicContact CB-CB 4.49Å; M233-H275 HydrophobicContact CG-CB 4.09Å; M233-H275 PolarHBondContact N-CE1 3Å; M233-H275 VanDerWaalsContact N-CE1 3.32Å; M233-H275 PolarHBondContact N-ND1 2.96Å; M233-H275 HydrophobicContact SD-CB 4.32Å; M233-K278 HydrophobicContact CE-CB 4.49Å; M233-K278 HydrophobicContact CE-CD 3.87Å; M233-K278 HydrophobicContact CE-CG 3.86Å; M233-K278 HydrophobicContact SD-CB 3.79Å; M233-K278 HydrophobicContact SD-CD 3.74Å; M233-K278 HydrophobicContact SD-CG 3.77Å
234F93.6Very high91.4Very high55 Ų5542.7 Ų42.724%0.24122%0.219CC..  trans-61.2124177.7-73-71.6000111.3V249 H275 M297 F301F234-V249 HydrophobicContact CB-CG1 4.25Å; F234-V249 HydrophobicContact CB-CG2 4.09Å; F234-H275 PolarHBondContact O-CE1 3.34Å; F234-H275 PolarHBondContact O-NE2 3.01Å; F234-M297 HydrophobicContact CE2-CE 4.13Å; F234-F301 HydrophobicContact CD1-CZ 4.43Å; F234-F301 HydrophobicContact CE1-CE1 4.49Å; F234-F301 HydrophobicContact CE1-CE2 4.2Å; F234-F301 AromaticContact CE1-CZ 3.57Å; F234-F301 HydrophobicContact CE1-CZ 3.57Å; F234-F301 HydrophobicContact CE2-CE2 4.22Å; F234-F301 HydrophobicContact CE2-CZ 4.18Å; F234-F301 AromaticContact CZ-CE2 3.59Å; F234-F301 HydrophobicContact CZ-CE2 3.59Å; F234-F301 AromaticContact CZ-CZ 3.42Å; F234-F301 HydrophobicContact CZ-CZ 3.42Å; F234-F301 VanDerWaalsContact CZ-CZ 3.42Å
235V94.9Very high91.4Very high3 Ų343.4 Ų43.42%0.01823%0.228CC..  trans-120.2135.3169.2-176.60000107I58 P232 M233 T237 N240 Y255I58-V235 HydrophobicContact CD1-CB 4.4Å; I58-V235 HydrophobicContact CD1-CG2 4.11Å; I58-V235 HydrophobicContact CG1-CG1 4.39Å; P232-V235 HydrophobicContact CB-CG2 4.22Å; M233-V235 PolarHBondContact O-N 3.24Å; V235-T237 HydrophobicContact CB-CG2 4.18Å; V235-T237 HydrophobicContact CG1-CG2 3.8Å; V235-T237 PolarHBondContact O-N 3Å; V235-N240 PolarHBondContact O-ND2 3.19Å; V235-Y255 HydrophobicContact CG1-CG 4.17Å; V235-Y255 HydrophobicContact CG2-CD1 4.05Å; V235-Y255 HydrophobicContact CG2-CD2 3.63Å; V235-Y255 HydrophobicContact CG2-CE1 4.42Å; V235-Y255 HydrophobicContact CG2-CE2 4.03Å; V235-Y255 HydrophobicContact CG2-CG 3.65Å
236S92.2Very high91.3Very high14 Ų1446.1 Ų46.110%0.09825%0.247CC..BIsolated β-bridgetrans-71.8100.3177.9-166.70000109.6Y242 C243 P250 A252S236-Y242 VanDerWaalsContact OG-CA 3.31Å; S236-Y242 WeakPolarHBondContact OG-CA 3.45Å; S236-C243 VanDerWaalsContact CB-O 3.31Å; S236-C243 WeakPolarHBondContact CB-O 3.27Å; S236-C243 PolarHBondContact OG-N 3.37Å; S236-C243 PolarHBondContact OG-O 2.95Å; S236-P250 PolarHBondContact N-O 2.97Å; S236-A252 PolarHBondContact O-N 3.33Å
237T91.7Very high91.1Very high12 Ų1249.3 Ų49.37%0.07427%0.265CS..SBendtrans-141.6170.1-179.367.50000109.6V235 M239 N240 G241 Y242 A252V235-T237 HydrophobicContact CB-CG2 4.18Å; V235-T237 HydrophobicContact CG1-CG2 3.8Å; V235-T237 PolarHBondContact O-N 3Å; T237-M239 PolarHBondContact O-N 2.79Å; T237-M239 PolarHBondContact OG1-N 3.28Å; T237-N240 CarbonylContact O-C 3.51Å; T237-N240 PolarHBondContact O-N 2.85Å; T237-N240 VanDerWaalsContact O-N 3.08Å; T237-G241 PolarHBondContact O-N 3.39Å; T237-G241 VanDerWaalsContact O-N 3.15Å; T237-Y242 PolarHBondContact O-N 3.21Å; T237-A252 HydrophobicContact CG2-CB 4.13Å
238A85.1Confident91Very high44 Ų4452 Ų5236%0.36428%0.277SS..G310 helixtrans-55.7-37.2172.200000113D56 N240 G241 Y242D56-A238 WeakPolarHBondContact OD2-CB 3.35Å; A238-N240 PolarHBondContact O-N 3.21Å; A238-G241 PolarHBondContact O-N 3Å; A238-G241 VanDerWaalsContact O-N 3.08Å; A238-Y242 HydrophobicContact CB-CE2 4.25Å
239M84Confident90.8Very high100 Ų10052.9 Ų52.949%0.49328%0.282SS..G310 helixtrans-58-32.5177.7-177.1-178.2-69.800112.6G132 T237G132-M239 VanDerWaalsContact O-CE 3.27Å; G132-M239 WeakPolarHBondContact O-CE 3.5Å; T237-M239 PolarHBondContact O-N 2.79Å; T237-M239 PolarHBondContact OG1-N 3.28Å
240N80.6Confident90.8Very high50 Ų5052.9 Ų52.927%0.26728%0.282SS..G310 helixtrans-106.414.6-179.8-65.1-42000112.8V235 T237 A238 Y242 C243V235-N240 PolarHBondContact O-ND2 3.19Å; T237-N240 CarbonylContact O-C 3.51Å; T237-N240 PolarHBondContact O-N 2.85Å; T237-N240 VanDerWaalsContact O-N 3.08Å; A238-N240 PolarHBondContact O-N 3.21Å; N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.39Å; N240-C243 PolarHBondContact O-SG 3.49Å
241G80.9Confident90.7Very high59 Ų5955.4 Ų55.461%0.60830%0.296SS*.THydrogen-bonded Turntrans61.733.3179.300000114.3T237 A238 C243T237-G241 PolarHBondContact O-N 3.39Å; T237-G241 VanDerWaalsContact O-N 3.15Å; A238-G241 PolarHBondContact O-N 3Å; A238-G241 VanDerWaalsContact O-N 3.08Å; G241-C243 PolarHBondContact O-N 3.09Å
242Y80.7Confident90.6Very high154 Ų15456.2 Ų56.260%0.60430%0.302SS*.  trans53.355.5179.6-60.6-76.5000114.2S236 T237 A238 N240S236-Y242 VanDerWaalsContact OG-CA 3.31Å; S236-Y242 WeakPolarHBondContact OG-CA 3.45Å; T237-Y242 PolarHBondContact O-N 3.21Å; A238-Y242 HydrophobicContact CB-CE2 4.25Å; N240-Y242 VanDerWaalsContact C-N 3.31Å; N240-Y242 PolarHBondContact O-N 3.39Å
243C81.5Confident90.5Very high28 Ų2862.5 Ų62.519%0.18933%0.328CS..PPolyproline II helixtrans-46.6146.2174.1-71.10000113S236 N240 G241 M245 V249S236-C243 VanDerWaalsContact CB-O 3.31Å; S236-C243 WeakPolarHBondContact CB-O 3.27Å; S236-C243 PolarHBondContact OG-N 3.37Å; S236-C243 PolarHBondContact OG-O 2.95Å; N240-C243 PolarHBondContact O-SG 3.49Å; G241-C243 PolarHBondContact O-N 3.09Å; C243-M245 PolarHBondContact O-N 2.79Å; C243-V249 HydrophobicContact CB-CG1 4Å
244K86.7Confident90.6Very high193 Ų19364.8 Ų64.884%0.83934%0.339SS*.PPolyproline II helixtrans-55.6128.3175.4-175175.5-179.6176.40110.8
245M91.2Very high90.8Very high115 Ų11562.2 Ų62.257%0.56733%0.327SS*.PPolyproline II helixtrans-69.6146.4-178.9-59.8-173.6-53.100111.9C243 V249 N251C243-M245 PolarHBondContact O-N 2.79Å; M245-V249 VanDerWaalsContact CA-O 3.22Å; M245-V249 WeakPolarHBondContact CA-O 3.15Å; M245-N251 HydrophobicContact SD-CB 3.84Å
246S93.3Very high90.9Very high62 Ų6262 Ų6243%0.43433%0.326SS..BIsolated β-bridgetrans-160177.5174.166.30000109.7F248 V249S246-F248 PolarHBondContact O-N 3.26Å; S246-F248 PolarHBondContact OG-N 3.26Å; S246-V249 PolarHBondContact N-O 2.67Å; S246-V249 CarbonylContact O-C 3.51Å; S246-V249 VanDerWaalsContact O-C 3.27Å; S246-V249 PolarHBondContact O-N 3.16Å; S246-V249 PolarHBondContact OG-N 3.39Å
247L92.8Very high91.2Very high94 Ų9465.9 Ų65.949%0.49234%0.341SS..THydrogen-bonded Turntrans-51.9-27.4170.5-179.463.7000113.1Y272 G274L247-Y272 WeakPolarHBondContact O-CE1 3.27Å; L247-G274 WeakPolarHBondContact O-CA 3.4Å
248F94.9Very high91.5Very high65 Ų6566.4 Ų66.429%0.28534%0.344SS..THydrogen-bonded Turntrans-102.7-2.2-179.4-59.1-62.9000113.7S246 G274 H275 L277 K278S246-F248 PolarHBondContact O-N 3.26Å; S246-F248 PolarHBondContact OG-N 3.26Å; F248-G274 WeakPolarHBondContact CD1-O 3.48Å; F248-G274 WeakPolarHBondContact CE1-O 3.49Å; F248-H275 PolarHBondContact O-CD2 3.22Å; F248-H275 VanDerWaalsContact O-CD2 3.29Å; F248-H275 PolarHBondContact O-NE2 2.89Å; F248-H275 VanDerWaalsContact O-NE2 3.12Å; F248-L277 HydrophobicContact CE1-CD2 4.46Å; F248-K278 HydrophobicContact CB-CD 4.1Å; F248-K278 HydrophobicContact CD1-CB 3.69Å; F248-K278 HydrophobicContact CD1-CD 4.07Å; F248-K278 HydrophobicContact CD1-CG 4.35Å; F248-K278 HydrophobicContact CE1-CB 3.92Å; F248-K278 HydrophobicContact CG-CD 4.14Å
249V94.3Very high92.2Very high19 Ų1964.3 Ų64.312%0.11533%0.327CS..BIsolated β-bridgetrans-139.281-176.9-172.20000108.5F234 C243 M245 S246F234-V249 HydrophobicContact CB-CG1 4.25Å; F234-V249 HydrophobicContact CB-CG2 4.09Å; C243-V249 HydrophobicContact CB-CG1 4Å; M245-V249 VanDerWaalsContact CA-O 3.22Å; M245-V249 WeakPolarHBondContact CA-O 3.15Å; S246-V249 PolarHBondContact N-O 2.67Å; S246-V249 CarbonylContact O-C 3.51Å; S246-V249 VanDerWaalsContact O-C 3.27Å; S246-V249 PolarHBondContact O-N 3.16Å; S246-V249 PolarHBondContact OG-N 3.39Å
250P96.9Very high92.8Very high2 Ų259.6 Ų59.61%0.01330%0.303CS..  trans-72.5164.7174.531.5-35.2000111S236 E254 Y255 Y272 H275S236-P250 PolarHBondContact N-O 2.97Å; P250-E254 HydrophobicContact CB-CB 4.32Å; P250-E254 HydrophobicContact CB-CG 4.45Å; P250-Y255 HydrophobicContact CG-CD2 3.89Å; P250-Y255 HydrophobicContact CG-CG 4.38Å; P250-Y272 HydrophobicContact CB-CD1 4.31Å; P250-Y272 HydrophobicContact CB-CD2 4.47Å; P250-Y272 HydrophobicContact CB-CE1 4.01Å; P250-Y272 HydrophobicContact CB-CE2 4.18Å; P250-Y272 HydrophobicContact CG-CD1 3.78Å; P250-Y272 HydrophobicContact CG-CD2 4.39Å; P250-Y272 HydrophobicContact CG-CE1 3.94Å; P250-Y272 HydrophobicContact CG-CG 4.02Å; P250-H275 WeakPolarHBondContact CD-NE2 3.14Å
251N96.4Very high93.7Very high53 Ų5359.3 Ų59.328%0.28330%0.3SS..BIsolated β-bridgetrans-76.3168.316464.358.1000111.2M245 K253 E254 Y255M245-N251 HydrophobicContact SD-CB 3.84Å; N251-K253 VanDerWaalsContact C-N 3.31Å; N251-K253 PolarHBondContact O-N 3.2Å; N251-K253 WeakPolarHBondContact OD1-CB 3.31Å; N251-K253 PolarHBondContact OD1-N 3.49Å; N251-E254 PolarHBondContact OD1-N 3.43Å; N251-Y255 VanDerWaalsContact O-CB 3.31Å; N251-Y255 WeakPolarHBondContact O-CB 3.47Å; N251-Y255 PolarHBondContact O-N 3.24Å
252A96.5Very high94.5Very high17 Ų1756.5 Ų56.514%0.1427%0.271CS..Hα-helixtrans-55.3-43.1179.800000113.5V61 S236 T237 Y255 G256V61-A252 HydrophobicContact CG2-CB 4.03Å; S236-A252 PolarHBondContact O-N 3.33Å; T237-A252 HydrophobicContact CG2-CB 4.13Å; A252-Y255 PolarHBondContact O-N 3.47Å; A252-G256 PolarHBondContact O-N 2.8Å
253K96.8Very high95.3Very high142 Ų14249.2 Ų49.262%0.61724%0.243SC*.Hα-helixtrans-65.4-50.7-175.1-176.8175-177.4171.10111.3V61 N251 Y255 K257V61-K253 HydrophobicContact CG2-CB 4.4Å; N251-K253 VanDerWaalsContact C-N 3.31Å; N251-K253 PolarHBondContact O-N 3.2Å; N251-K253 WeakPolarHBondContact OD1-CB 3.31Å; N251-K253 PolarHBondContact OD1-N 3.49Å; K253-Y255 VanDerWaalsContact C-N 3.34Å; K253-Y255 PolarHBondContact O-N 3.23Å; K253-K257 WeakPolarHBondContact O-CB 3.31Å; K253-K257 PolarHBondContact O-N 2.85Å; K253-K257 VanDerWaalsContact O-N 3.16Å
254E97.3Very high96Very high80 Ų8049.3 Ų49.337%0.37425%0.249SC..Hα-helixtrans-62-45176.7-172.1179.9169.500110.5P250 N251 N258 Y272P250-E254 HydrophobicContact CB-CB 4.32Å; P250-E254 HydrophobicContact CB-CG 4.45Å; N251-E254 PolarHBondContact OD1-N 3.43Å; E254-N258 WeakPolarHBondContact O-CB 3.41Å; E254-N258 PolarHBondContact O-N 3.41Å; E254-N258 VanDerWaalsContact O-N 3.15Å; E254-N258 PolarHBondContact O-ND2 3.39Å; E254-Y272 HydrophobicContact CG-CE2 3.88Å; E254-Y272 VanDerWaalsContact OE1-CE2 3.24Å; E254-Y272 WeakPolarHBondContact OE1-CE2 3.42Å; E254-Y272 VanDerWaalsContact OE1-CZ 3.3Å; E254-Y272 PolarHBondContact OE1-OH 3.48Å
255Y98.4Very high96.4Very high0 Ų041.5 Ų41.50%022%0.217CC..Hα-helixtrans-61.4-54.7178.6-175.9-92.6000112.5I58 V230 P232 V235 P250 N251 A252 K253 K257 N258 A259 F270 Y272 H275I58-Y255 HydrophobicContact CD1-CD1 3.77Å; I58-Y255 HydrophobicContact CD1-CE1 3.75Å; I58-Y255 HydrophobicContact CG1-CD1 3.84Å; I58-Y255 HydrophobicContact CG1-CE1 4.26Å; I58-Y255 HydrophobicContact CG2-CD1 4.29Å; I58-Y255 HydrophobicContact CG2-CE1 4.32Å; V230-Y255 HydrophobicContact CG1-CE1 4.3Å; V230-Y255 WeakPolarHBondContact CG1-OH 3.5Å; P232-Y255 VanDerWaalsContact CA-OH 3.31Å; P232-Y255 WeakPolarHBondContact CA-OH 3.36Å; P232-Y255 HydrophobicContact CB-CE1 4.19Å; P232-Y255 HydrophobicContact CB-CE2 4.1Å; P232-Y255 VanDerWaalsContact CB-OH 3.26Å; P232-Y255 WeakPolarHBondContact CB-OH 3.42Å; P232-Y255 HydrophobicContact CG-CE1 4.01Å; P232-Y255 WeakPolarHBondContact CG-OH 3.46Å; V235-Y255 HydrophobicContact CG1-CG 4.17Å; V235-Y255 HydrophobicContact CG2-CD1 4.05Å; V235-Y255 HydrophobicContact CG2-CD2 3.63Å; V235-Y255 HydrophobicContact CG2-CE1 4.42Å; V235-Y255 HydrophobicContact CG2-CE2 4.03Å; V235-Y255 HydrophobicContact CG2-CG 3.65Å; P250-Y255 HydrophobicContact CG-CD2 3.89Å; P250-Y255 HydrophobicContact CG-CG 4.38Å; N251-Y255 VanDerWaalsContact O-CB 3.31Å; N251-Y255 WeakPolarHBondContact O-CB 3.47Å; N251-Y255 PolarHBondContact O-N 3.24Å; A252-Y255 PolarHBondContact O-N 3.47Å; K253-Y255 VanDerWaalsContact C-N 3.34Å; K253-Y255 PolarHBondContact O-N 3.23Å; Y255-K257 PolarHBondContact O-N 2.86Å; Y255-N258 PolarHBondContact O-N 2.86Å; Y255-A259 HydrophobicContact CD1-CB 4.38Å; Y255-A259 HydrophobicContact CE1-CB 3.99Å; Y255-A259 VanDerWaalsContact O-CB 3.24Å; Y255-A259 WeakPolarHBondContact O-CB 3.43Å; Y255-A259 PolarHBondContact O-N 3.41Å; Y255-F270 PolarHBondContact OH-O 2.8Å; Y255-Y272 HydrophobicContact CD2-CG 4.47Å; Y255-H275 AromaticContact CD2-CE1 3.91Å; Y255-H275 AromaticContact CE2-CE1 3.7Å; Y255-H275 AromaticContact CE2-ND1 3.46Å; Y255-H275 WeakPolarHBondContact CE2-ND1 2.96Å
256G97.7Very high96.7Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-62.1-41.5-174.100000112.6A252 A259 L260A252-G256 PolarHBondContact O-N 2.8Å; G256-A259 PolarHBondContact O-N 2.84Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.26Å
257K97.6Very high96.8Very high95 Ų9540 Ų4041%0.41320%0.202SC..Hα-helixtrans-60.2-51.9173.9179.5174.9179176.40112.2E65 K253 Y255 A259 L260 E261E65-K257 HydrophobicContact CG-CB 4.48Å; K253-K257 WeakPolarHBondContact O-CB 3.31Å; K253-K257 PolarHBondContact O-N 2.85Å; K253-K257 VanDerWaalsContact O-N 3.16Å; Y255-K257 PolarHBondContact O-N 2.86Å; K257-A259 VanDerWaalsContact C-N 3.29Å; K257-A259 PolarHBondContact O-N 3.3Å; K257-L260 PolarHBondContact O-N 2.92Å; K257-E261 WeakPolarHBondContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact O-CG 3.38Å; K257-E261 PolarHBondContact O-N 2.81Å; K257-E261 VanDerWaalsContact O-N 3.11Å
258N98.4Very high97Very high23 Ų2338.2 Ų38.212%0.12319%0.191CC..Hα-helixtrans-64.4-36.1-179.6-78.4-93.3000111.6R33 E254 Y255 E261 M262 G271 Y272R33-N258 PolarHBondContact NH1-OD1 2.91Å; R33-N258 PolarHBondContact NH2-OD1 3.25Å; E254-N258 WeakPolarHBondContact O-CB 3.41Å; E254-N258 PolarHBondContact O-N 3.41Å; E254-N258 VanDerWaalsContact O-N 3.15Å; E254-N258 PolarHBondContact O-ND2 3.39Å; Y255-N258 PolarHBondContact O-N 2.86Å; N258-E261 PolarHBondContact O-N 2.89Å; N258-M262 PolarHBondContact O-N 3.44Å; N258-G271 CarbonylContact C-O 3.52Å; N258-G271 WeakPolarHBondContact CB-O 3.41Å; N258-Y272 HydrophobicContact CB-CD2 4.01Å
259A98.7Very high97.1Very high0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-69.3-41.8179.800000111.7Y62 V230 Y255 G256 K257 E261 M262 G271Y62-A259 HydrophobicContact CE2-CB 4.49Å; Y62-A259 WeakPolarHBondContact OH-CB 3.37Å; V230-A259 HydrophobicContact CG1-CB 4.16Å; Y255-A259 HydrophobicContact CD1-CB 4.38Å; Y255-A259 HydrophobicContact CE1-CB 3.99Å; Y255-A259 VanDerWaalsContact O-CB 3.24Å; Y255-A259 WeakPolarHBondContact O-CB 3.43Å; Y255-A259 PolarHBondContact O-N 3.41Å; G256-A259 PolarHBondContact O-N 2.84Å; K257-A259 VanDerWaalsContact C-N 3.29Å; K257-A259 PolarHBondContact O-N 3.3Å; A259-E261 VanDerWaalsContact C-N 3.32Å; A259-E261 PolarHBondContact O-N 3.13Å; A259-M262 WeakPolarHBondContact O-CB 3.2Å; A259-M262 PolarHBondContact O-N 3Å; A259-M262 VanDerWaalsContact O-N 3.12Å; A259-G271 VanDerWaalsContact CA-O 3.24Å; A259-G271 WeakPolarHBondContact CA-O 3.44Å; A259-G271 PolarHBondContact N-O 2.92Å
260L98.5Very high97.3Very high0 Ų036.3 Ų36.30%018%0.181CC..Hα-helixtrans-67.5-32.3175.9-176.860.4000112.2R39 Y62 E65 L66 I185 G256 K257 M262 L263R39-L260 HydrophobicContact CG-CD1 4.49Å; R39-L260 HydrophobicContact CG-CD2 4.33Å; R39-L260 HydrophobicContact CG-CG 4.05Å; Y62-L260 HydrophobicContact CD1-CB 4.36Å; Y62-L260 HydrophobicContact CD1-CD1 4.17Å; Y62-L260 HydrophobicContact CE1-CB 3.83Å; Y62-L260 HydrophobicContact CE1-CD1 3.8Å; Y62-L260 HydrophobicContact CE1-CG 4.29Å; E65-L260 HydrophobicContact CB-CD2 3.7Å; L66-L260 HydrophobicContact CD2-CD1 4.22Å; L66-L260 HydrophobicContact CD2-CD2 4.02Å; L66-L260 HydrophobicContact CG-CD2 4.19Å; I185-L260 HydrophobicContact CD1-CD1 3.87Å; G256-L260 WeakPolarHBondContact O-CB 3.49Å; G256-L260 PolarHBondContact O-N 3.26Å; K257-L260 PolarHBondContact O-N 2.92Å; L260-M262 PolarHBondContact O-N 3.39Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.13Å
261E98.1Very high97.4Very high45 Ų4536.2 Ų36.221%0.2118%0.18CC..Hα-helixtrans-61.3-23.8171.8-74.8176.6-172.500112.8R33 S37 K257 N258 A259 L263R33-E261 IonicContact CZ-OE2 3.49Å; R33-E261 VanDerWaalsContact CZ-OE2 3.29Å; R33-E261 IonicContact NE-OE2 3.26Å; R33-E261 PolarHBondContact NE-OE2 3.49Å; R33-E261 IonicContact NH1-OE2 2.77Å; R33-E261 IonicContact NH2-OE2 3.37Å; S37-E261 WeakPolarHBondContact CB-O 3.3Å; S37-E261 PolarHBondContact OG-O 3.15Å; K257-E261 WeakPolarHBondContact CE-OE1 3.25Å; K257-E261 WeakPolarHBondContact O-CG 3.38Å; K257-E261 PolarHBondContact O-N 2.81Å; K257-E261 VanDerWaalsContact O-N 3.11Å; N258-E261 PolarHBondContact O-N 2.89Å; A259-E261 VanDerWaalsContact C-N 3.32Å; A259-E261 PolarHBondContact O-N 3.13Å; E261-L263 VanDerWaalsContact C-N 3.27Å; E261-L263 PolarHBondContact O-N 3.36Å
262M98.2Very high97.4Very high0 Ų034.7 Ų34.70%017%0.171CC..THydrogen-bonded Turntrans-79.1-3176.8-67.2-59.7-64.700114N28 Y29 R33 Q228 N258 A259 L260 G264 V265 E266 T269N28-M262 HydrophobicContact CB-CE 4.25Å; Y29-M262 HydrophobicContact CD1-SD 4.07Å; Y29-M262 HydrophobicContact CD2-CE 4.36Å; Y29-M262 HydrophobicContact CE1-CE 4.24Å; Y29-M262 HydrophobicContact CE1-CG 4.17Å; Y29-M262 HydrophobicContact CE1-SD 4.13Å; Y29-M262 HydrophobicContact CE2-CE 4.04Å; Y29-M262 HydrophobicContact CG-SD 4.41Å; R33-M262 HydrophobicContact CB-SD 3.84Å; Q228-M262 PolarHBondContact NE2-O 3.2Å; N258-M262 PolarHBondContact O-N 3.44Å; A259-M262 WeakPolarHBondContact O-CB 3.2Å; A259-M262 PolarHBondContact O-N 3Å; A259-M262 VanDerWaalsContact O-N 3.12Å; L260-M262 PolarHBondContact O-N 3.39Å; M262-G264 PolarHBondContact O-N 3.15Å; M262-G264 VanDerWaalsContact O-N 3.15Å; M262-V265 HydrophobicContact CE-CB 3.89Å; M262-V265 HydrophobicContact CE-CG1 3.69Å; M262-V265 WeakPolarHBondContact O-CB 3.37Å; M262-V265 PolarHBondContact O-N 3.08Å; M262-V265 HydrophobicContact SD-CB 4.45Å; M262-V265 HydrophobicContact SD-CG1 4.4Å; M262-E266 HydrophobicContact CE-CB 4.36Å; M262-E266 HydrophobicContact CE-CG 3.97Å; M262-T269 HydrophobicContact CB-CG2 4.14Å
263L97.6Very high97.5Very high0 Ų037 Ų370%018%0.178CC..THydrogen-bonded Turntrans-55.5121-178.4-179.462.3000111.7S37 K38 L42 A183 I185 H226 Q228 L260 E261 V265S37-L263 WeakPolarHBondContact CA-O 3.27Å; K38-L263 PolarHBondContact N-O 3.44Å; L42-L263 HydrophobicContact CD1-CD2 3.75Å; L42-L263 HydrophobicContact CD2-CD2 4.02Å; L42-L263 HydrophobicContact CG-CD2 3.96Å; A183-L263 HydrophobicContact CB-CD1 3.77Å; A183-L263 HydrophobicContact CB-CD2 3.91Å; A183-L263 HydrophobicContact CB-CG 4.45Å; I185-L263 HydrophobicContact CD1-CD1 4.18Å; I185-L263 HydrophobicContact CG1-CD1 4.17Å; H226-L263 HydrophobicContact CB-CD1 4.34Å; Q228-L263 HydrophobicContact CB-CD1 4.24Å; L260-L263 WeakPolarHBondContact O-CB 3.38Å; L260-L263 PolarHBondContact O-N 3.08Å; L260-L263 VanDerWaalsContact O-N 3.13Å; E261-L263 VanDerWaalsContact C-N 3.27Å; E261-L263 PolarHBondContact O-N 3.36Å; L263-V265 PolarHBondContact O-N 3.19Å
264G95.1Very high97.6Very high31 Ų3130.2 Ų30.232%0.3215%0.148SC..THydrogen-bonded Turntrans72.74.6-179.300000115.4M262M262-G264 PolarHBondContact O-N 3.15Å; M262-G264 VanDerWaalsContact O-N 3.15Å
265V96.8Very high97.6Very high28 Ų2826.4 Ų26.417%0.1713%0.131CC..THydrogen-bonded Turntrans-85.5-44.3170.6-175.40000110.1N28 R33 F36 M262 L263N28-V265 HydrophobicContact CB-CG1 4.26Å; R33-V265 HydrophobicContact CB-CG2 4.26Å; F36-V265 HydrophobicContact CB-CG2 4.44Å; M262-V265 HydrophobicContact CE-CB 3.89Å; M262-V265 HydrophobicContact CE-CG1 3.69Å; M262-V265 WeakPolarHBondContact O-CB 3.37Å; M262-V265 PolarHBondContact O-N 3.08Å; M262-V265 HydrophobicContact SD-CB 4.45Å; M262-V265 HydrophobicContact SD-CG1 4.4Å; L263-V265 PolarHBondContact O-N 3.19Å
266E95.8Very high97.6Very high39 Ų3926.4 Ų26.418%0.18213%0.131CC..  trans-134.4132.9175.7-73.1177.7166.700108.5N28 Y29 Q228 M262 E268 T269N28-E266 PolarHBondContact ND2-OE1 3.29Å; Y29-E266 PolarHBondContact OH-OE2 3.42Å; Q228-E266 PolarHBondContact NE2-O 2.95Å; M262-E266 HydrophobicContact CE-CB 4.36Å; M262-E266 HydrophobicContact CE-CG 3.97Å; E266-E268 VanDerWaalsContact C-N 3.34Å; E266-T269 VanDerWaalsContact OE2-CB 3.3Å; E266-T269 WeakPolarHBondContact OE2-CB 3.32Å; E266-T269 PolarHBondContact OE2-OG1 3.47Å
267E95.3Very high97.6Very high108 Ų10828 Ų2851%0.50514%0.139SC..SBendtrans-67.7-37.6173.3-67.4-179.5-163.800111.5S217 Q228 T229S217-E267 VanDerWaalsContact OG-CD 3.3Å; S217-E267 PolarHBondContact OG-OE2 3.31Å; Q228-E267 CarbonylContact C-O 3.48Å; Q228-E267 WeakPolarHBondContact CA-O 3.4Å; T229-E267 PolarHBondContact N-O 2.88Å
268E97.1Very high97.5Very high56 Ų5625.3 Ų25.326%0.26213%0.128SC..EExtended strand (participates in β ladder)trans-120.7117.1172.1-65.6-169.485.900109.2Y193 R214 T229 E266Y193-E268 PolarHBondContact OH-OE1 3.48Å; R214-E268 IonicContact CZ-OE1 2.7Å; R214-E268 IonicContact CZ-OE2 2.68Å; R214-E268 IonicContact NE-OE1 2.88Å; R214-E268 IonicContact NE-OE2 3.29Å; R214-E268 PolarHBondContact NE-OE2 3.24Å; R214-E268 VanDerWaalsContact NH2-CD 3.29Å; R214-E268 IonicContact NH2-OE1 3.77Å; R214-E268 PolarHBondContact NH2-OE1 3.13Å; R214-E268 IonicContact NH2-OE2 3.77Å; R214-E268 PolarHBondContact NH2-OE2 3.21Å; R214-E268 VanDerWaalsContact NH2-OE2 3.08Å; T229-E268 WeakPolarHBondContact O-CA 3.2Å; E266-E268 VanDerWaalsContact C-N 3.34Å
269T98Very high97.4Very high1 Ų124.6 Ų24.61%0.00613%0.125CC..EExtended strand (participates in β ladder)trans-133.9152.8-170.8-167.20000111.8Y29 Q228 T229 V230 C231 M262 E266 G271Y29-T269 PolarHBondContact OH-OG1 3.26Å; Q228-T269 HydrophobicContact CG-CG2 4.35Å; T229-T269 PolarHBondContact O-N 3.45Å; V230-T269 CarbonylContact C-O 3.27Å; V230-T269 WeakPolarHBondContact CA-O 3.33Å; V230-T269 HydrophobicContact CB-CG2 4.41Å; V230-T269 HydrophobicContact CG1-CG2 4.49Å; V230-T269 HydrophobicContact CG2-CG2 3.9Å; C231-T269 PolarHBondContact N-O 3.41Å; M262-T269 HydrophobicContact CB-CG2 4.14Å; E266-T269 VanDerWaalsContact OE2-CB 3.3Å; E266-T269 WeakPolarHBondContact OE2-CB 3.32Å; E266-T269 PolarHBondContact OE2-OG1 3.47Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact OG1-N 3.33Å
270F98.2Very high97.3Very high42 Ų4226.1 Ų26.118%0.18413%0.131CC..  trans-87.1-2.3171.4-64.8-75.4000112.3Y29 H190 Y193 C231 Y255 Y272 H275 A276 A279Y29-F270 PolarHBondContact OH-N 3Å; Y29-F270 VanDerWaalsContact OH-N 3.09Å; H190-F270 HydrophobicContact CB-CD1 4.49Å; H190-F270 HydrophobicContact CB-CE1 4.14Å; H190-F270 AromaticContact CD2-CE1 3.61Å; Y193-F270 HydrophobicContact CD2-CE1 4.32Å; Y193-F270 AromaticContact CE2-CE1 3.82Å; Y193-F270 HydrophobicContact CE2-CE1 3.82Å; Y193-F270 HydrophobicContact CE2-CZ 4.03Å; C231-F270 HydrophobicContact CB-CD1 4.27Å; C231-F270 HydrophobicContact CB-CE1 4.37Å; C231-F270 VanDerWaalsContact O-CD1 3.26Å; C231-F270 WeakPolarHBondContact O-CD1 3.44Å; Y255-F270 PolarHBondContact OH-O 2.8Å; F270-Y272 PolarHBondContact O-N 3.02Å; F270-H275 HydrophobicContact CB-CB 3.81Å; F270-A276 HydrophobicContact CB-CB 4.17Å; F270-A276 HydrophobicContact CD2-CB 4.13Å; F270-A279 HydrophobicContact CD1-CB 3.95Å; F270-A279 HydrophobicContact CD2-CB 3.83Å; F270-A279 HydrophobicContact CE1-CB 3.55Å; F270-A279 HydrophobicContact CE2-CB 3.39Å; F270-A279 HydrophobicContact CG-CB 4.1Å; F270-A279 HydrophobicContact CZ-CB 3.26Å
271G98Very high97.2Very high0 Ų030.4 Ų30.40%015%0.153CC..SBendtrans70.6-17.8171.600000115.5Y29 N258 A259 T269Y29-G271 PolarHBondContact OH-N 2.68Å; N258-G271 CarbonylContact C-O 3.52Å; N258-G271 WeakPolarHBondContact CB-O 3.41Å; A259-G271 VanDerWaalsContact CA-O 3.24Å; A259-G271 WeakPolarHBondContact CA-O 3.44Å; A259-G271 PolarHBondContact N-O 2.92Å; T269-G271 VanDerWaalsContact C-N 3.29Å; T269-G271 PolarHBondContact OG1-N 3.33Å
272Y98.2Very high96.9Very high21 Ų2128.9 Ų28.98%0.08215%0.147CC..SBendtrans-143.9137.9-179.7-173.3-109.9000111.3L247 P250 E254 Y255 N258 F270 G274 H275 A276L247-Y272 WeakPolarHBondContact O-CE1 3.27Å; P250-Y272 HydrophobicContact CB-CD1 4.31Å; P250-Y272 HydrophobicContact CB-CD2 4.47Å; P250-Y272 HydrophobicContact CB-CE1 4.01Å; P250-Y272 HydrophobicContact CB-CE2 4.18Å; P250-Y272 HydrophobicContact CG-CD1 3.78Å; P250-Y272 HydrophobicContact CG-CD2 4.39Å; P250-Y272 HydrophobicContact CG-CE1 3.94Å; P250-Y272 HydrophobicContact CG-CG 4.02Å; E254-Y272 HydrophobicContact CG-CE2 3.88Å; E254-Y272 VanDerWaalsContact OE1-CE2 3.24Å; E254-Y272 WeakPolarHBondContact OE1-CE2 3.42Å; E254-Y272 VanDerWaalsContact OE1-CZ 3.3Å; E254-Y272 PolarHBondContact OE1-OH 3.48Å; Y255-Y272 HydrophobicContact CD2-CG 4.47Å; N258-Y272 HydrophobicContact CB-CD2 4.01Å; F270-Y272 PolarHBondContact O-N 3.02Å; Y272-G274 VanDerWaalsContact C-N 3.3Å; Y272-G274 PolarHBondContact O-N 2.77Å; Y272-H275 WeakPolarHBondContact O-CA 3.2Å; Y272-H275 WeakPolarHBondContact O-CB 3.43Å; Y272-H275 PolarHBondContact O-N 3.14Å; Y272-A276 PolarHBondContact O-N 3.41Å
273F98Very high96.6Very high65 Ų6532 Ų3229%0.28517%0.169SC..Hα-helixtrans-54.3-45.2-175.2173-109.6000112.4I25 I26 Y29 H275 A276 L277I25-F273 HydrophobicContact CG2-CD2 4.36Å; I25-F273 HydrophobicContact CG2-CE2 4.28Å; I26-F273 HydrophobicContact CG1-CE2 4.31Å; Y29-F273 HydrophobicContact CD1-CB 4.16Å; Y29-F273 HydrophobicContact CG-CB 4.26Å; Y29-F273 HydrophobicContact CG-CD2 4.35Å; F273-H275 VanDerWaalsContact C-N 3.29Å; F273-H275 PolarHBondContact O-N 3.41Å; F273-A276 PolarHBondContact O-N 3.48Å; F273-L277 HydrophobicContact CE1-CD2 4.33Å; F273-L277 HydrophobicContact CZ-CD2 4.34Å; F273-L277 WeakPolarHBondContact O-CB 3.47Å; F273-L277 PolarHBondContact O-N 3.16Å
274G97.9Very high96.4Very high0 Ų036 Ų360%019%0.186CC..Hα-helixtrans-60.8-38.3177.400000112.7L247 F248 Y272 K278L247-G274 WeakPolarHBondContact O-CA 3.4Å; F248-G274 WeakPolarHBondContact CD1-O 3.48Å; F248-G274 WeakPolarHBondContact CE1-O 3.49Å; Y272-G274 VanDerWaalsContact C-N 3.3Å; Y272-G274 PolarHBondContact O-N 2.77Å; G274-K278 VanDerWaalsContact O-CB 3.3Å; G274-K278 WeakPolarHBondContact O-CB 3.28Å; G274-K278 PolarHBondContact O-N 3.08Å
275H98.3Very high96.2Very high0 Ų037 Ų370%018%0.184CC..Hα-helixtrans-68.8-42.1176.8-69.3-170.1000111.3M233 F234 F248 P250 Y255 F270 Y272 F273 K278 A279M233-H275 HydrophobicContact CB-CB 4.49Å; M233-H275 HydrophobicContact CG-CB 4.09Å; M233-H275 PolarHBondContact N-CE1 3Å; M233-H275 VanDerWaalsContact N-CE1 3.32Å; M233-H275 PolarHBondContact N-ND1 2.96Å; M233-H275 HydrophobicContact SD-CB 4.32Å; F234-H275 PolarHBondContact O-CE1 3.34Å; F234-H275 PolarHBondContact O-NE2 3.01Å; F248-H275 PolarHBondContact O-CD2 3.22Å; F248-H275 VanDerWaalsContact O-CD2 3.29Å; F248-H275 PolarHBondContact O-NE2 2.89Å; F248-H275 VanDerWaalsContact O-NE2 3.12Å; P250-H275 WeakPolarHBondContact CD-NE2 3.14Å; Y255-H275 AromaticContact CD2-CE1 3.91Å; Y255-H275 AromaticContact CE2-CE1 3.7Å; Y255-H275 AromaticContact CE2-ND1 3.46Å; Y255-H275 WeakPolarHBondContact CE2-ND1 2.96Å; F270-H275 HydrophobicContact CB-CB 3.81Å; Y272-H275 WeakPolarHBondContact O-CA 3.2Å; Y272-H275 WeakPolarHBondContact O-CB 3.43Å; Y272-H275 PolarHBondContact O-N 3.14Å; F273-H275 VanDerWaalsContact C-N 3.29Å; F273-H275 PolarHBondContact O-N 3.41Å; H275-K278 PolarHBondContact O-N 3.1Å; H275-A279 WeakPolarHBondContact O-CB 3.47Å; H275-A279 PolarHBondContact O-N 2.93Å
276A98Very high96.1Very high1 Ų139.3 Ų39.31%0.00820%0.2CC..Hα-helixtrans-62-45175.500000112.2I25 Y29 F270 Y272 F273 K278 A279 Y280I25-A276 HydrophobicContact CG2-CB 3.8Å; Y29-A276 HydrophobicContact CD2-CB 4.14Å; Y29-A276 HydrophobicContact CE1-CB 4.19Å; Y29-A276 HydrophobicContact CE2-CB 3.51Å; F270-A276 HydrophobicContact CB-CB 4.17Å; F270-A276 HydrophobicContact CD2-CB 4.13Å; Y272-A276 PolarHBondContact O-N 3.41Å; F273-A276 PolarHBondContact O-N 3.48Å; A276-K278 PolarHBondContact O-N 2.9Å; A276-A279 PolarHBondContact O-N 3.43Å; A276-Y280 WeakPolarHBondContact O-CB 3.35Å; A276-Y280 PolarHBondContact O-N 2.99Å
277L97.7Very high96Very high34 Ų3443.6 Ų43.618%0.17822%0.224CC..Hα-helixtrans-62.3-43.6176-179.359.7000111.4L22 F248 F273 Y280 L281L22-L277 HydrophobicContact CD1-CD1 4.06Å; F248-L277 HydrophobicContact CE1-CD2 4.46Å; F273-L277 HydrophobicContact CE1-CD2 4.33Å; F273-L277 HydrophobicContact CZ-CD2 4.34Å; F273-L277 WeakPolarHBondContact O-CB 3.47Å; F273-L277 PolarHBondContact O-N 3.16Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 3.33Å; L277-L281 HydrophobicContact CD1-CD1 4.34Å; L277-L281 HydrophobicContact CD1-CG 4.35Å; L277-L281 HydrophobicContact CG-CD1 4.17Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.16Å
278K96.3Very high95.9Very high38 Ų3844.3 Ų44.317%0.16523%0.231CC..Hα-helixtrans-66.3-40.2177.5-174.3170178.6173.70112.2M233 F248 G274 H275 A276 L281 T282M233-K278 HydrophobicContact CE-CB 4.49Å; M233-K278 HydrophobicContact CE-CD 3.87Å; M233-K278 HydrophobicContact CE-CG 3.86Å; M233-K278 HydrophobicContact SD-CB 3.79Å; M233-K278 HydrophobicContact SD-CD 3.74Å; M233-K278 HydrophobicContact SD-CG 3.77Å; F248-K278 HydrophobicContact CB-CD 4.1Å; F248-K278 HydrophobicContact CD1-CB 3.69Å; F248-K278 HydrophobicContact CD1-CD 4.07Å; F248-K278 HydrophobicContact CD1-CG 4.35Å; F248-K278 HydrophobicContact CE1-CB 3.92Å; F248-K278 HydrophobicContact CG-CD 4.14Å; G274-K278 VanDerWaalsContact O-CB 3.3Å; G274-K278 WeakPolarHBondContact O-CB 3.28Å; G274-K278 PolarHBondContact O-N 3.08Å; H275-K278 PolarHBondContact O-N 3.1Å; A276-K278 PolarHBondContact O-N 2.9Å; K278-L281 PolarHBondContact O-N 3.33Å; K278-T282 HydrophobicContact CG-CG2 4.29Å; K278-T282 WeakPolarHBondContact O-CB 3.37Å; K278-T282 VanDerWaalsContact O-CG2 3.28Å; K278-T282 WeakPolarHBondContact O-CG2 3.39Å; K278-T282 PolarHBondContact O-N 3.38Å; K278-T282 PolarHBondContact O-OG1 3.43Å
279A96.5Very high95.8Very high7 Ų745.6 Ų45.66%0.05824%0.238CC..Hα-helixtrans-61.4-45.5174.200000111.1F270 H275 A276 T282 S283F270-A279 HydrophobicContact CD1-CB 3.95Å; F270-A279 HydrophobicContact CD2-CB 3.83Å; F270-A279 HydrophobicContact CE1-CB 3.55Å; F270-A279 HydrophobicContact CE2-CB 3.39Å; F270-A279 HydrophobicContact CG-CB 4.1Å; F270-A279 HydrophobicContact CZ-CB 3.26Å; H275-A279 WeakPolarHBondContact O-CB 3.47Å; H275-A279 PolarHBondContact O-N 2.93Å; A276-A279 PolarHBondContact O-N 3.43Å; A279-T282 PolarHBondContact O-N 2.72Å; A279-T282 PolarHBondContact O-OG1 3.02Å; A279-S283 WeakPolarHBondContact O-CB 3.49Å; A279-S283 PolarHBondContact O-N 3.38Å
280Y96.3Very high95.6Very high32 Ų3246 Ų4613%0.12524%0.24CC..Hα-helixtrans-56.8-52.9174.1173-99.2000111.5K18 D21 L22 I25 A276 L277 T282 S283 F284K18-Y280 WeakPolarHBondContact O-CE2 3.41Å; K18-Y280 PolarHBondContact O-OH 3.15Å; D21-Y280 HydrophobicContact CB-CE2 4.17Å; L22-Y280 HydrophobicContact CB-CE1 4.11Å; L22-Y280 HydrophobicContact CB-CE2 4.13Å; L22-Y280 HydrophobicContact CD1-CD1 4.1Å; L22-Y280 HydrophobicContact CD1-CE1 4Å; L22-Y280 HydrophobicContact CD2-CE1 4.26Å; L22-Y280 HydrophobicContact CG-CE1 4.35Å; I25-Y280 HydrophobicContact CD1-CD2 4.05Å; I25-Y280 HydrophobicContact CD1-CG 4.06Å; A276-Y280 WeakPolarHBondContact O-CB 3.35Å; A276-Y280 PolarHBondContact O-N 2.99Å; L277-Y280 WeakPolarHBondContact O-CB 3.4Å; L277-Y280 PolarHBondContact O-N 3.33Å; Y280-T282 VanDerWaalsContact C-N 3.34Å; Y280-T282 PolarHBondContact O-N 3.41Å; Y280-S283 WeakPolarHBondContact O-CB 3.3Å; Y280-S283 PolarHBondContact O-N 3.11Å; Y280-S283 PolarHBondContact O-OG 2.92Å; Y280-F284 AromaticContact CD1-CE2 3.85Å; Y280-F284 HydrophobicContact CD1-CE2 3.85Å; Y280-F284 HydrophobicContact CD2-CE2 4.19Å; Y280-F284 HydrophobicContact CD2-CZ 4.39Å; Y280-F284 AromaticContact CE1-CE2 3.53Å; Y280-F284 HydrophobicContact CE1-CE2 3.53Å; Y280-F284 AromaticContact CE1-CZ 3.89Å; Y280-F284 HydrophobicContact CE1-CZ 3.89Å; Y280-F284 AromaticContact CE2-CE2 3.89Å; Y280-F284 HydrophobicContact CE2-CE2 3.89Å; Y280-F284 AromaticContact CE2-CZ 3.7Å; Y280-F284 HydrophobicContact CE2-CZ 3.7Å; Y280-F284 HydrophobicContact CG-CE2 4.16Å; Y280-F284 AromaticContact CZ-CE2 3.54Å; Y280-F284 AromaticContact CZ-CZ 3.41Å; Y280-F284 VanDerWaalsContact CZ-CZ 3.41Å; Y280-F284 WeakPolarHBondContact O-CD2 3.24Å; Y280-F284 WeakPolarHBondContact O-CE2 3.35Å; Y280-F284 WeakPolarHBondContact OH-CZ 3.25Å
281L94.9Very high95.4Very high91 Ų9150.1 Ų50.148%0.47626%0.258SS..Hα-helixtrans-61.7-39.2179.7-68.5172.4000112.8L277 K278 S283 F284L277-L281 HydrophobicContact CD1-CD1 4.34Å; L277-L281 HydrophobicContact CD1-CG 4.35Å; L277-L281 HydrophobicContact CG-CD1 4.17Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.42Å; L277-L281 PolarHBondContact O-N 3.16Å; K278-L281 PolarHBondContact O-N 3.33Å; L281-S283 VanDerWaalsContact C-N 3.32Å; L281-F284 WeakPolarHBondContact O-CD2 3.28Å
282T93Very high95.3Very high13 Ų1355.9 Ų55.98%0.0828%0.284CS..Hα-helixtrans-78.4-16.6179.956.60000113.3R194 K278 A279 Y280 F284 L285 W290R194-T282 PolarHBondContact NH1-O 3.09Å; K278-T282 HydrophobicContact CG-CG2 4.29Å; K278-T282 WeakPolarHBondContact O-CB 3.37Å; K278-T282 VanDerWaalsContact O-CG2 3.28Å; K278-T282 WeakPolarHBondContact O-CG2 3.39Å; K278-T282 PolarHBondContact O-N 3.38Å; K278-T282 PolarHBondContact O-OG1 3.43Å; A279-T282 PolarHBondContact O-N 2.72Å; A279-T282 PolarHBondContact O-OG1 3.02Å; Y280-T282 VanDerWaalsContact C-N 3.34Å; Y280-T282 PolarHBondContact O-N 3.41Å; T282-F284 PolarHBondContact O-N 3.4Å; T282-L285 HydrophobicContact CG2-CD1 4.18Å; T282-L285 WeakPolarHBondContact O-CB 3.36Å; T282-L285 PolarHBondContact O-N 3.39Å; T282-L285 VanDerWaalsContact O-N 3.16Å; T282-W290 HydrophobicContact CG2-CZ3 4.15Å
283S92.3Very high95.1Very high66 Ų6658 Ų5846%0.46229%0.293SS..Hα-helixtrans-65.5-22.4173.881.10000113A279 Y280 L281 L285A279-S283 WeakPolarHBondContact O-CB 3.49Å; A279-S283 PolarHBondContact O-N 3.38Å; Y280-S283 WeakPolarHBondContact O-CB 3.3Å; Y280-S283 PolarHBondContact O-N 3.11Å; Y280-S283 PolarHBondContact O-OG 2.92Å; L281-S283 VanDerWaalsContact C-N 3.32Å; S283-L285 VanDerWaalsContact C-N 3.34Å
284F91.7Very high95Very high82 Ų8255.2 Ų55.236%0.3628%0.281SS..THydrogen-bonded Turntrans-79.2-16.6175.5-61.3-79.1000113.5K18 Y280 L281 T282 P286K18-F284 HydrophobicContact CB-CE1 4.24Å; K18-F284 HydrophobicContact CB-CZ 4.21Å; K18-F284 HydrophobicContact CD-CE1 3.48Å; K18-F284 VanDerWaalsContact CD-CE1 3.48Å; K18-F284 HydrophobicContact CD-CZ 3.67Å; K18-F284 HydrophobicContact CG-CE1 3.72Å; K18-F284 HydrophobicContact CG-CZ 4.09Å; Y280-F284 AromaticContact CD1-CE2 3.85Å; Y280-F284 HydrophobicContact CD1-CE2 3.85Å; Y280-F284 HydrophobicContact CD2-CE2 4.19Å; Y280-F284 HydrophobicContact CD2-CZ 4.39Å; Y280-F284 AromaticContact CE1-CE2 3.53Å; Y280-F284 HydrophobicContact CE1-CE2 3.53Å; Y280-F284 AromaticContact CE1-CZ 3.89Å; Y280-F284 HydrophobicContact CE1-CZ 3.89Å; Y280-F284 AromaticContact CE2-CE2 3.89Å; Y280-F284 HydrophobicContact CE2-CE2 3.89Å; Y280-F284 AromaticContact CE2-CZ 3.7Å; Y280-F284 HydrophobicContact CE2-CZ 3.7Å; Y280-F284 HydrophobicContact CG-CE2 4.16Å; Y280-F284 AromaticContact CZ-CE2 3.54Å; Y280-F284 AromaticContact CZ-CZ 3.41Å; Y280-F284 VanDerWaalsContact CZ-CZ 3.41Å; Y280-F284 WeakPolarHBondContact O-CD2 3.24Å; Y280-F284 WeakPolarHBondContact O-CE2 3.35Å; Y280-F284 WeakPolarHBondContact OH-CZ 3.25Å; L281-F284 WeakPolarHBondContact O-CD2 3.28Å; T282-F284 PolarHBondContact O-N 3.4Å; F284-P286 VanDerWaalsContact O-CD 3.27Å; F284-P286 WeakPolarHBondContact O-CD 3.48Å
285L92.3Very high94.8Very high53 Ų5358.6 Ų58.628%0.27730%0.298SS..SBendtrans-76.4119-173-61.6178.9000110.8R194 T282 S283 I289 W290R194-L285 PolarHBondContact NH2-O 3.33Å; T282-L285 HydrophobicContact CG2-CD1 4.18Å; T282-L285 WeakPolarHBondContact O-CB 3.36Å; T282-L285 PolarHBondContact O-N 3.39Å; T282-L285 VanDerWaalsContact O-N 3.16Å; S283-L285 VanDerWaalsContact C-N 3.34Å; L285-I289 HydrophobicContact CD2-CG2 3.99Å; L285-W290 HydrophobicContact CD1-CE3 4.27Å
286P94.2Very high94.6Very high76 Ų7664.7 Ų64.749%0.49433%0.325SS..  trans-55.1152.7169.6-22.333.5000111.2F284 L288 I289 W290F284-P286 VanDerWaalsContact O-CD 3.27Å; F284-P286 WeakPolarHBondContact O-CD 3.48Å; P286-L288 PolarHBondContact O-N 3.16Å; P286-L288 VanDerWaalsContact O-N 3.09Å; P286-I289 HydrophobicContact CG-CD1 4.3Å; P286-I289 PolarHBondContact O-N 3.25Å; P286-W290 PolarHBondContact O-N 2.82Å
287N93.1Very high94.3Very high129 Ų12965.8 Ų65.869%0.6933%0.33SS*.Hα-helixtrans-54.8-33.5-177.9-73.2-25.3000113.5W290 K291N287-W290 PolarHBondContact O-N 3.23Å; N287-K291 WeakPolarHBondContact O-CB 3.31Å; N287-K291 PolarHBondContact O-N 2.91Å
288L93.7Very high94.1Very high124 Ų12465.3 Ų65.365%0.64933%0.327SS*.Hα-helixtrans-64.9-47.7176.7-175.363.9000112.3P286 W290 K291 Q292P286-L288 PolarHBondContact O-N 3.16Å; P286-L288 VanDerWaalsContact O-N 3.09Å; L288-W290 VanDerWaalsContact C-N 3.31Å; L288-W290 PolarHBondContact O-N 3.43Å; L288-K291 PolarHBondContact O-N 2.89Å; L288-Q292 PolarHBondContact O-N 3.48Å
289I94.9Very high93.8Very high83 Ų8366 Ų6643%0.42634%0.337SS..Hα-helixtrans-66.2-39.1178.1-59.7-172.7000110L285 P286 K291 Q292 Y293L285-I289 HydrophobicContact CD2-CG2 3.99Å; P286-I289 HydrophobicContact CG-CD1 4.3Å; P286-I289 PolarHBondContact O-N 3.25Å; I289-K291 PolarHBondContact O-N 2.9Å; I289-Q292 PolarHBondContact O-N 3.11Å; I289-Y293 PolarHBondContact O-N 2.69Å
290W94.4Very high93.5Very high9 Ų970.6 Ų70.63%0.03435%0.353CS..Hα-helixtrans-61.8-41.9175.3177.4-107.4000113.8R194 A195 F196 T282 L285 P286 N287 L288 Q292 Y293 M294R194-W290 HydrophobicContact CG-CZ2 4.39Å; R194-W290 VanDerWaalsContact CZ-CE3 3.43Å; R194-W290 VanDerWaalsContact NE-CD2 3.28Å; R194-W290 VanDerWaalsContact NH2-CD2 3.26Å; A195-W290 PolarHBondContact O-NE1 2.87Å; F196-W290 AromaticContact CD1-CZ2 3.88Å; F196-W290 HydrophobicContact CD1-CZ2 3.88Å; F196-W290 AromaticContact CD2-CZ2 3.92Å; F196-W290 HydrophobicContact CD2-CZ2 3.92Å; F196-W290 AromaticContact CE1-CH2 3.79Å; F196-W290 HydrophobicContact CE1-CH2 3.79Å; F196-W290 AromaticContact CE1-CZ2 3.49Å; F196-W290 HydrophobicContact CE1-CZ2 3.49Å; F196-W290 VanDerWaalsContact CE1-CZ2 3.49Å; F196-W290 HydrophobicContact CE2-CH2 4.11Å; F196-W290 AromaticContact CE2-CZ2 3.49Å; F196-W290 HydrophobicContact CE2-CZ2 3.49Å; F196-W290 VanDerWaalsContact CE2-CZ2 3.49Å; F196-W290 HydrophobicContact CG-CZ2 4.11Å; F196-W290 AromaticContact CZ-CH2 3.53Å; F196-W290 HydrophobicContact CZ-CH2 3.53Å; F196-W290 AromaticContact CZ-CZ2 3.29Å; F196-W290 HydrophobicContact CZ-CZ2 3.29Å; T282-W290 HydrophobicContact CG2-CZ3 4.15Å; L285-W290 HydrophobicContact CD1-CE3 4.27Å; P286-W290 PolarHBondContact O-N 2.82Å; N287-W290 PolarHBondContact O-N 3.23Å; L288-W290 VanDerWaalsContact C-N 3.31Å; L288-W290 PolarHBondContact O-N 3.43Å; W290-Q292 VanDerWaalsContact C-N 3.29Å; W290-Q292 PolarHBondContact O-N 3.17Å; W290-Y293 HydrophobicContact CD2-CD1 4.49Å; W290-Y293 AromaticContact CE3-CD1 3.85Å; W290-Y293 HydrophobicContact CE3-CD1 3.85Å; W290-Y293 HydrophobicContact CE3-CE1 4.44Å; W290-Y293 HydrophobicContact CH2-CD1 4.25Å; W290-Y293 HydrophobicContact CH2-CE1 4.14Å; W290-Y293 AromaticContact CZ3-CD1 3.72Å; W290-Y293 HydrophobicContact CZ3-CD1 3.72Å; W290-Y293 AromaticContact CZ3-CE1 3.84Å; W290-Y293 HydrophobicContact CZ3-CE1 3.84Å; W290-Y293 WeakPolarHBondContact O-CB 3.32Å; W290-Y293 PolarHBondContact O-N 3.18Å; W290-M294 HydrophobicContact CD2-CG 4.23Å; W290-M294 HydrophobicContact CH2-SD 4.18Å; W290-M294 HydrophobicContact CZ2-CG 3.99Å; W290-M294 HydrophobicContact CZ2-SD 3.71Å; W290-M294 WeakPolarHBondContact O-CG 3.49Å; W290-M294 PolarHBondContact O-N 3.2Å
291K94.4Very high92.9Very high129 Ų12970.1 Ų70.156%0.56135%0.351SS*.Hα-helixtrans-59.3-43.4174.9-176.2-178.8178-178.10111N287 L288 I289 M294 L295N287-K291 WeakPolarHBondContact O-CB 3.31Å; N287-K291 PolarHBondContact O-N 2.91Å; L288-K291 PolarHBondContact O-N 2.89Å; I289-K291 PolarHBondContact O-N 2.9Å; K291-M294 PolarHBondContact O-N 2.79Å; K291-L295 HydrophobicContact CG-CD1 4.49Å; K291-L295 WeakPolarHBondContact O-CG 3.32Å; K291-L295 PolarHBondContact O-N 3.1Å
292Q95.4Very high92.5Very high120 Ų12069 Ų6956%0.56135%0.346SS*.Hα-helixtrans-64.2-43175.4-68.7-179.6-1.500112.1L288 I289 W290 M294 L295 F296L288-Q292 PolarHBondContact O-N 3.48Å; I289-Q292 PolarHBondContact O-N 3.11Å; W290-Q292 VanDerWaalsContact C-N 3.29Å; W290-Q292 PolarHBondContact O-N 3.17Å; Q292-M294 VanDerWaalsContact C-N 3.31Å; Q292-M294 PolarHBondContact O-N 3.27Å; Q292-L295 WeakPolarHBondContact O-CB 3.2Å; Q292-L295 PolarHBondContact O-N 3.46Å; Q292-F296 PolarHBondContact O-N 3.48Å
293Y94Very high92.1Very high65 Ų6575.7 Ų75.726%0.25537%0.374SS..Hα-helixtrans-58.4-43173.7170.9-99.4000111.7I289 W290 F296 M297I289-Y293 PolarHBondContact O-N 2.69Å; W290-Y293 HydrophobicContact CD2-CD1 4.49Å; W290-Y293 AromaticContact CE3-CD1 3.85Å; W290-Y293 HydrophobicContact CE3-CD1 3.85Å; W290-Y293 HydrophobicContact CE3-CE1 4.44Å; W290-Y293 HydrophobicContact CH2-CD1 4.25Å; W290-Y293 HydrophobicContact CH2-CE1 4.14Å; W290-Y293 AromaticContact CZ3-CD1 3.72Å; W290-Y293 HydrophobicContact CZ3-CD1 3.72Å; W290-Y293 AromaticContact CZ3-CE1 3.84Å; W290-Y293 HydrophobicContact CZ3-CE1 3.84Å; W290-Y293 WeakPolarHBondContact O-CB 3.32Å; W290-Y293 PolarHBondContact O-N 3.18Å; Y293-F296 WeakPolarHBondContact O-CB 3.32Å; Y293-F296 PolarHBondContact O-N 2.93Å; Y293-M297 HydrophobicContact CD1-CG 4.17Å; Y293-M297 HydrophobicContact CD2-CG 4.4Å; Y293-M297 HydrophobicContact CE1-CG 3.69Å; Y293-M297 HydrophobicContact CE1-SD 4.42Å; Y293-M297 HydrophobicContact CE2-CG 3.96Å; Y293-M297 HydrophobicContact CE2-SD 3.98Å; Y293-M297 HydrophobicContact CG-CG 4.5Å; Y293-M297 VanDerWaalsContact O-CG 3.31Å; Y293-M297 WeakPolarHBondContact O-CG 3.26Å; Y293-M297 PolarHBondContact O-N 3.36Å
294M94.6Very high91.3Very high7 Ų777.4 Ų77.43%0.03437%0.374CS..Hα-helixtrans-68.4-35.5178.2-70.6-59-57.600112.9F196 P197 F198 W290 K291 Q292 M297 K298F196-M294 HydrophobicContact CB-CE 4.45Å; F196-M294 HydrophobicContact CD1-CE 3.75Å; F196-M294 HydrophobicContact CD1-SD 3.97Å; F196-M294 HydrophobicContact CE1-SD 4.28Å; F196-M294 HydrophobicContact CG-CE 4.45Å; P197-M294 HydrophobicContact CB-CB 4.44Å; P197-M294 HydrophobicContact CG-CB 4.36Å; P197-M294 WeakPolarHBondContact O-CE 3.37Å; F198-M294 HydrophobicContact CE2-CB 4.4Å; W290-M294 HydrophobicContact CD2-CG 4.23Å; W290-M294 HydrophobicContact CH2-SD 4.18Å; W290-M294 HydrophobicContact CZ2-CG 3.99Å; W290-M294 HydrophobicContact CZ2-SD 3.71Å; W290-M294 WeakPolarHBondContact O-CG 3.49Å; W290-M294 PolarHBondContact O-N 3.2Å; K291-M294 PolarHBondContact O-N 2.79Å; Q292-M294 VanDerWaalsContact C-N 3.31Å; Q292-M294 PolarHBondContact O-N 3.27Å; M294-M297 PolarHBondContact O-N 2.9Å; M294-K298 PolarHBondContact O-N 3.41Å
295L95.1Very high90Very high71 Ų7178.3 Ų78.337%0.37238%0.378SS..Hα-helixtrans-62.6-43.9170.5-78.9163000111.6F198 K291 Q292 K298 S299F198-L295 HydrophobicContact CE2-CD2 4.02Å; F198-L295 HydrophobicContact CE2-CG 4.21Å; F198-L295 HydrophobicContact CZ-CD2 3.52Å; F198-L295 HydrophobicContact CZ-CG 4.12Å; K291-L295 HydrophobicContact CG-CD1 4.49Å; K291-L295 WeakPolarHBondContact O-CG 3.32Å; K291-L295 PolarHBondContact O-N 3.1Å; Q292-L295 WeakPolarHBondContact O-CB 3.2Å; Q292-L295 PolarHBondContact O-N 3.46Å; L295-K298 PolarHBondContact O-N 2.96Å; L295-S299 PolarHBondContact O-N 3.5Å
296F94.1Very high87.7Confident128 Ų12886.8 Ų86.856%0.56141%0.406SS*.Hα-helixtrans-60.2-47.4173.9171.8-94.7000111.3Q292 Y293 K298 S299 W300Q292-F296 PolarHBondContact O-N 3.48Å; Y293-F296 WeakPolarHBondContact O-CB 3.32Å; Y293-F296 PolarHBondContact O-N 2.93Å; F296-K298 PolarHBondContact O-N 3.24Å; F296-S299 PolarHBondContact O-N 3.29Å; F296-W300 WeakPolarHBondContact O-CB 3.33Å; F296-W300 PolarHBondContact O-N 2.96Å
297M91.4Very high85Confident24 Ų2494.8 Ų94.812%0.11844%0.437CS..Hα-helixtrans-59.1-44.8177.3-72.4-61.8-5600111.6F234 Y293 M294 W300 F301F234-M297 HydrophobicContact CE2-CE 4.13Å; Y293-M297 HydrophobicContact CD1-CG 4.17Å; Y293-M297 HydrophobicContact CD2-CG 4.4Å; Y293-M297 HydrophobicContact CE1-CG 3.69Å; Y293-M297 HydrophobicContact CE1-SD 4.42Å; Y293-M297 HydrophobicContact CE2-CG 3.96Å; Y293-M297 HydrophobicContact CE2-SD 3.98Å; Y293-M297 HydrophobicContact CG-CG 4.5Å; Y293-M297 VanDerWaalsContact O-CG 3.31Å; Y293-M297 WeakPolarHBondContact O-CG 3.26Å; Y293-M297 PolarHBondContact O-N 3.36Å; M294-M297 PolarHBondContact O-N 2.9Å; M297-W300 WeakPolarHBondContact O-CB 3.32Å; M297-W300 PolarHBondContact O-N 3.48Å; M297-F301 HydrophobicContact CE-CD2 4.21Å; M297-F301 HydrophobicContact CE-CE2 3.58Å; M297-F301 HydrophobicContact CE-CZ 4.44Å; M297-F301 VanDerWaalsContact O-CD2 3.25Å; M297-F301 WeakPolarHBondContact O-CD2 3.2Å; M297-F301 PolarHBondContact O-N 3.45Å
298K92.4Very high84.6Confident24 Ų2493.1 Ų93.110%0.10442%0.424CS..Hα-helixtrans-56.1-52.8174.5-173.7-165.9-174.9-65.20111.2L138 D139 Y140 F198 M294 L295 F296 W300 F301 D302L138-K298 HydrophobicContact CB-CB 4.48Å; L138-K298 HydrophobicContact CB-CG 4.15Å; L138-K298 VanDerWaalsContact O-CE 3.32Å; L138-K298 WeakPolarHBondContact O-CE 3.19Å; L138-K298 WeakPolarHBondContact O-CG 3.38Å; D139-K298 IonicContact OD1-NZ 2.72Å; Y140-K298 HydrophobicContact CE2-CD 4.3Å; F198-K298 HydrophobicContact CD1-CD 3.69Å; F198-K298 HydrophobicContact CD2-CB 3.78Å; F198-K298 HydrophobicContact CD2-CD 4.12Å; F198-K298 HydrophobicContact CD2-CG 4.27Å; F198-K298 HydrophobicContact CE1-CD 3.79Å; F198-K298 HydrophobicContact CE2-CB 4.04Å; F198-K298 HydrophobicContact CE2-CD 4.21Å; F198-K298 HydrophobicContact CG-CB 4.22Å; F198-K298 HydrophobicContact CG-CD 3.88Å; F198-K298 HydrophobicContact CG-CG 4.21Å; F198-K298 HydrophobicContact CZ-CD 4.06Å; M294-K298 PolarHBondContact O-N 3.41Å; L295-K298 PolarHBondContact O-N 2.96Å; F296-K298 PolarHBondContact O-N 3.24Å; K298-W300 VanDerWaalsContact C-N 3.26Å; K298-W300 PolarHBondContact O-N 3.17Å; K298-F301 PolarHBondContact O-N 3.37Å; K298-F301 VanDerWaalsContact O-N 3.16Å; K298-D302 IonicContact NZ-OD1 3.63Å; K298-D302 IonicContact NZ-OD2 2.67Å; K298-D302 PolarHBondContact NZ-OD2 3.32Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 2.7Å
299S91.7Very high84.1Confident54 Ų5491.4 Ų91.438%0.37841%0.413SS..Hα-helixtrans-59.5-38.7178.9-1750000112.2L295 F296 D302 K303L295-S299 PolarHBondContact O-N 3.5Å; F296-S299 PolarHBondContact O-N 3.29Å; S299-D302 PolarHBondContact O-N 3.34Å; S299-K303 WeakPolarHBondContact O-CG 3.28Å; S299-K303 PolarHBondContact O-N 3.31Å
300W88.4Confident83.5Confident102 Ų10291.9 Ų91.939%0.38641%0.412SS..Hα-helixtrans-63.4-46.4175.9-176.289.8000111.4F296 M297 K298 K303 H304F296-W300 WeakPolarHBondContact O-CB 3.33Å; F296-W300 PolarHBondContact O-N 2.96Å; M297-W300 WeakPolarHBondContact O-CB 3.32Å; M297-W300 PolarHBondContact O-N 3.48Å; K298-W300 VanDerWaalsContact C-N 3.26Å; K298-W300 PolarHBondContact O-N 3.17Å; W300-K303 PolarHBondContact O-N 3.07Å; W300-H304 AromaticContact CD1-CE1 3.54Å; W300-H304 AromaticContact CD1-ND1 3.72Å; W300-H304 AromaticContact CD2-ND1 3.86Å; W300-H304 AromaticContact CE2-CE1 3.85Å; W300-H304 AromaticContact CE2-ND1 3.66Å; W300-H304 AromaticContact CG-ND1 3.89Å; W300-H304 HydrophobicContact CH2-CB 4.49Å; W300-H304 HydrophobicContact CZ2-CB 4.47Å; W300-H304 AromaticContact NE1-CE1 3.31Å; W300-H304 PolarHBondContact NE1-CE1 3.02Å; W300-H304 VanDerWaalsContact NE1-CE1 3.31Å; W300-H304 AromaticContact NE1-ND1 3.56Å; W300-H304 AromaticContact NE1-NE2 3.82Å; W300-H304 PolarHBondContact O-N 3.06Å; W300-H304 VanDerWaalsContact O-N 3.11Å; W300-H304 PolarHBondContact O-ND1 3.15Å
301F84.7Confident82.8Confident22 Ų2296.8 Ų96.810%0.09643%0.434CS..Hα-helixtrans-62.7-44.4176.1-87.4-73.1000112.1L138 F234 M297 K298 K303 H304 K305L138-F301 HydrophobicContact CD1-CB 4.45Å; L138-F301 HydrophobicContact CD1-CD2 3.34Å; L138-F301 HydrophobicContact CD1-CE2 3.83Å; L138-F301 HydrophobicContact CD1-CG 4.11Å; L138-F301 HydrophobicContact CG-CD2 4.04Å; L138-F301 HydrophobicContact CG-CG 4.38Å; F234-F301 HydrophobicContact CD1-CZ 4.43Å; F234-F301 HydrophobicContact CE1-CE1 4.49Å; F234-F301 HydrophobicContact CE1-CE2 4.2Å; F234-F301 AromaticContact CE1-CZ 3.57Å; F234-F301 HydrophobicContact CE1-CZ 3.57Å; F234-F301 HydrophobicContact CE2-CE2 4.22Å; F234-F301 HydrophobicContact CE2-CZ 4.18Å; F234-F301 AromaticContact CZ-CE2 3.59Å; F234-F301 HydrophobicContact CZ-CE2 3.59Å; F234-F301 AromaticContact CZ-CZ 3.42Å; F234-F301 HydrophobicContact CZ-CZ 3.42Å; F234-F301 VanDerWaalsContact CZ-CZ 3.42Å; M297-F301 HydrophobicContact CE-CD2 4.21Å; M297-F301 HydrophobicContact CE-CE2 3.58Å; M297-F301 HydrophobicContact CE-CZ 4.44Å; M297-F301 VanDerWaalsContact O-CD2 3.25Å; M297-F301 WeakPolarHBondContact O-CD2 3.2Å; M297-F301 PolarHBondContact O-N 3.45Å; K298-F301 PolarHBondContact O-N 3.37Å; K298-F301 VanDerWaalsContact O-N 3.16Å; F301-K303 PolarHBondContact O-N 3.35Å; F301-K303 VanDerWaalsContact O-N 3.17Å; F301-H304 PolarHBondContact O-N 3.31Å; F301-H304 VanDerWaalsContact O-N 3.1Å; F301-K305 WeakPolarHBondContact O-CB 3.16Å; F301-K305 PolarHBondContact O-N 2.71Å
302D86.5Confident82.1Confident68 Ų6894.8 Ų94.836%0.36443%0.426SS..Hα-helixtrans-59-29.7178.6-68.3-20.6000112.5K298 S299K298-D302 IonicContact NZ-OD1 3.63Å; K298-D302 IonicContact NZ-OD2 2.67Å; K298-D302 PolarHBondContact NZ-OD2 3.32Å; K298-D302 VanDerWaalsContact O-CG 3.3Å; K298-D302 PolarHBondContact O-N 2.7Å; S299-D302 PolarHBondContact O-N 3.34Å
303K84.9Confident81.2Confident153 Ų15393.1 Ų93.167%0.66542%0.417SS*.Hα-helixtrans-80.7-34.6176.1-70.9177.6-175-176.20113.5S299 W300 F301S299-K303 WeakPolarHBondContact O-CG 3.28Å; S299-K303 PolarHBondContact O-N 3.31Å; W300-K303 PolarHBondContact O-N 3.07Å; F301-K303 PolarHBondContact O-N 3.35Å; F301-K303 VanDerWaalsContact O-N 3.17Å
304H75.3Confident80.3Confident102 Ų10295.1 Ų95.147%0.47243%0.429SS..Hα-helixtrans-104.7-12-169.4-63.881.6000114.7W300 F301 R306W300-H304 AromaticContact CD1-CE1 3.54Å; W300-H304 AromaticContact CD1-ND1 3.72Å; W300-H304 AromaticContact CD2-ND1 3.86Å; W300-H304 AromaticContact CE2-CE1 3.85Å; W300-H304 AromaticContact CE2-ND1 3.66Å; W300-H304 AromaticContact CG-ND1 3.89Å; W300-H304 HydrophobicContact CH2-CB 4.49Å; W300-H304 HydrophobicContact CZ2-CB 4.47Å; W300-H304 AromaticContact NE1-CE1 3.31Å; W300-H304 PolarHBondContact NE1-CE1 3.02Å; W300-H304 VanDerWaalsContact NE1-CE1 3.31Å; W300-H304 AromaticContact NE1-ND1 3.56Å; W300-H304 AromaticContact NE1-NE2 3.82Å; W300-H304 PolarHBondContact O-N 3.06Å; W300-H304 VanDerWaalsContact O-N 3.11Å; W300-H304 PolarHBondContact O-ND1 3.15Å; F301-H304 PolarHBondContact O-N 3.31Å; F301-H304 VanDerWaalsContact O-N 3.1Å; H304-R306 VanDerWaalsContact C-N 3.31Å; H304-R306 PolarHBondContact O-N 3.22Å
305K64.5Low79.2Confident102 Ų102101.8 Ų101.844%0.44346%0.459SS..SBendtrans-81.62176.5-113.3-174.1173.9-177.30115P136 F301 Q307P136-K305 PolarHBondContact O-NZ 2.76Å; F301-K305 WeakPolarHBondContact O-CB 3.16Å; F301-K305 PolarHBondContact O-N 2.71Å; K305-Q307 PolarHBondContact O-N 3.28Å
306R43.5Very low77.9Confident230 Ų230104.4 Ų104.487%0.86847%0.466SS*.  trans-83.623.9174.3-59.5-168.3-154.8-173.24.2113.4H304H304-R306 VanDerWaalsContact C-N 3.31Å; H304-R306 PolarHBondContact O-N 3.22Å
307Q37.4Very low76.4Confident244 Ų244102.3 Ų102.3100%1.1446%0.458SS*.  trans-118.30172.2-66.4-174.3-11.800108.4K305K305-Q307 PolarHBondContact O-N 3.28Å

Retrieved 307 of 307 residues in 142.3 ms (Link to these results)

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