A0A061ACY6_CAEEL Loading...

Peptidase M3A/M3B catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A061ACY6, Species CAEEL (Caenorhabditis elegans), Gene n/a, Length 467 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
1M67.8Low90.1Very high186 Ų186101.4 Ų101.492%0.91650%0.497SS*.  0-570-158.8-169.6-31.100112.1Y3 N4 T5M1-Y3 PolarHBondContact O-N 3.49Å; M1-N4 PolarHBondContact O-N 2.79Å; M1-T5 PolarHBondContact O-N 3.24Å; M1-T5 PolarHBondContact O-OG1 3.25Å
2V87.8Confident90.7Very high125 Ų125101.4 Ų101.476%0.75850%0.499SS*.Hα-helixtrans-57.1-49.8-177.5179.60000112.9T5 F6V2-T5 PolarHBondContact O-N 2.94Å; V2-F6 PolarHBondContact O-N 3.33Å
3Y88.2Confident91.1Very high53 Ų5399 Ų9921%0.20849%0.486CS..Hα-helixtrans-56.9-53.8179.1-179-82.6000112.2M1 T5 F6 Y7 E98 H99M1-Y3 PolarHBondContact O-N 3.49Å; Y3-T5 VanDerWaalsContact C-N 3.25Å; Y3-T5 PolarHBondContact O-N 3.03Å; Y3-F6 PolarHBondContact O-N 2.66Å; Y3-Y7 AromaticContact CD1-CD2 3.99Å; Y3-Y7 HydrophobicContact CD1-CD2 3.99Å; Y3-Y7 AromaticContact CD2-CD2 3.59Å; Y3-Y7 HydrophobicContact CD2-CD2 3.59Å; Y3-Y7 AromaticContact CD2-CE2 3.67Å; Y3-Y7 HydrophobicContact CD2-CE2 3.67Å; Y3-Y7 AromaticContact CE1-CD2 3.78Å; Y3-Y7 HydrophobicContact CE1-CD2 3.78Å; Y3-Y7 HydrophobicContact CE1-CG 4.42Å; Y3-Y7 AromaticContact CE2-CD2 3.39Å; Y3-Y7 HydrophobicContact CE2-CD2 3.39Å; Y3-Y7 AromaticContact CE2-CE2 3.38Å; Y3-Y7 HydrophobicContact CE2-CE2 3.38Å; Y3-Y7 AromaticContact CG-CD2 3.89Å; Y3-Y7 HydrophobicContact CG-CD2 3.89Å; Y3-Y7 HydrophobicContact CG-CE2 4.4Å; Y3-Y7 AromaticContact CZ-CD2 3.49Å; Y3-Y7 VanDerWaalsContact CZ-CD2 3.49Å; Y3-Y7 AromaticContact CZ-CE2 3.9Å; Y3-Y7 PolarHBondContact O-N 3.18Å; Y3-E98 HydrophobicContact CE1-CG 3.91Å; Y3-E98 WeakPolarHBondContact CE1-OE1 3.41Å; Y3-E98 PolarHBondContact OH-OE1 3.48Å; Y3-E98 PolarHBondContact OH-OE2 3.44Å; Y3-H99 HydrophobicContact CD1-CB 3.82Å; Y3-H99 HydrophobicContact CD2-CB 3.61Å; Y3-H99 HydrophobicContact CE1-CB 4.35Å; Y3-H99 HydrophobicContact CE2-CB 4.15Å; Y3-H99 HydrophobicContact CG-CB 3.43Å; Y3-H99 VanDerWaalsContact CG-CB 3.43Å
4N87.3Confident91.5Very high56 Ų5692.6 Ų92.630%0.29946%0.455SS..Hα-helixtrans-63.4-31-179.8-66.4-12.3000112.5M1 R8M1-N4 PolarHBondContact O-N 2.79Å; N4-R8 WeakPolarHBondContact O-CA 3.2Å; N4-R8 VanDerWaalsContact O-CB 3.31Å; N4-R8 WeakPolarHBondContact O-CB 3.3Å; N4-R8 PolarHBondContact O-N 3.35Å
5T91.2Very high91.8Very high99 Ų9990.9 Ų90.961%0.60746%0.456SS*.Hα-helixtrans-69.7-46.4174.1-60.70000111.3M1 V2 Y3 R8M1-T5 PolarHBondContact O-N 3.24Å; M1-T5 PolarHBondContact O-OG1 3.25Å; V2-T5 PolarHBondContact O-N 2.94Å; Y3-T5 VanDerWaalsContact C-N 3.25Å; Y3-T5 PolarHBondContact O-N 3.03Å; T5-R8 WeakPolarHBondContact O-CB 3.47Å; T5-R8 PolarHBondContact O-N 3.11Å
6F92.1Very high92.1Very high126 Ų12695.6 Ų95.655%0.55347%0.468SS*.Hα-helixtrans-66.6-42.6-179.4-176.5-93.7000111.9V2 Y3 R8 R377V2-F6 PolarHBondContact O-N 3.33Å; Y3-F6 PolarHBondContact O-N 2.66Å; F6-R8 VanDerWaalsContact C-N 3.34Å; F6-R377 HydrophobicContact CE1-CG 4.45Å; F6-R377 PolarHBondContact O-NH1 3.44Å
7Y93.9Very high92.4Very high49 Ų4990.8 Ų90.819%0.19245%0.445CS..THydrogen-bonded Turntrans-92.513.7179.6-67.6-64.1000113.7Y3 A373 F374 R377Y3-Y7 AromaticContact CD1-CD2 3.99Å; Y3-Y7 HydrophobicContact CD1-CD2 3.99Å; Y3-Y7 AromaticContact CD2-CD2 3.59Å; Y3-Y7 HydrophobicContact CD2-CD2 3.59Å; Y3-Y7 AromaticContact CD2-CE2 3.67Å; Y3-Y7 HydrophobicContact CD2-CE2 3.67Å; Y3-Y7 AromaticContact CE1-CD2 3.78Å; Y3-Y7 HydrophobicContact CE1-CD2 3.78Å; Y3-Y7 HydrophobicContact CE1-CG 4.42Å; Y3-Y7 AromaticContact CE2-CD2 3.39Å; Y3-Y7 HydrophobicContact CE2-CD2 3.39Å; Y3-Y7 AromaticContact CE2-CE2 3.38Å; Y3-Y7 HydrophobicContact CE2-CE2 3.38Å; Y3-Y7 AromaticContact CG-CD2 3.89Å; Y3-Y7 HydrophobicContact CG-CD2 3.89Å; Y3-Y7 HydrophobicContact CG-CE2 4.4Å; Y3-Y7 AromaticContact CZ-CD2 3.49Å; Y3-Y7 VanDerWaalsContact CZ-CD2 3.49Å; Y3-Y7 AromaticContact CZ-CE2 3.9Å; Y3-Y7 PolarHBondContact O-N 3.18Å; Y7-A373 CarbonylContact O-C 3.59Å; Y7-A373 PolarHBondContact O-N 2.78Å; Y7-F374 HydrophobicContact CD1-CB 4.27Å; Y7-F374 AromaticContact CD1-CD2 3.93Å; Y7-F374 HydrophobicContact CD1-CD2 3.93Å; Y7-F374 HydrophobicContact CD1-CG 4.5Å; Y7-F374 AromaticContact CE1-CD2 3.42Å; Y7-F374 HydrophobicContact CE1-CD2 3.42Å; Y7-F374 VanDerWaalsContact CE1-CD2 3.42Å; Y7-F374 AromaticContact CE1-CE2 3.93Å; Y7-F374 HydrophobicContact CE1-CE2 3.93Å; Y7-F374 HydrophobicContact CE1-CG 4.31Å; Y7-F374 HydrophobicContact CE2-CD2 4.39Å; Y7-F374 AromaticContact CZ-CD2 3.68Å; Y7-F374 AromaticContact CZ-CE2 3.95Å; Y7-R377 VanDerWaalsContact CA-NH1 3.3Å; Y7-R377 HydrophobicContact CE1-CB 4.28Å; Y7-R377 PolarHBondContact O-NH1 2.89Å
8R94.5Very high92.7Very high170 Ų17088.8 Ų88.864%0.64243%0.434SS*.BIsolated β-bridgetrans-59.4142.8176.8-171178.7173.2-175.4-2.5111.2N4 T5 F6 D10 R377N4-R8 WeakPolarHBondContact O-CA 3.2Å; N4-R8 VanDerWaalsContact O-CB 3.31Å; N4-R8 WeakPolarHBondContact O-CB 3.3Å; N4-R8 PolarHBondContact O-N 3.35Å; T5-R8 WeakPolarHBondContact O-CB 3.47Å; T5-R8 PolarHBondContact O-N 3.11Å; F6-R8 VanDerWaalsContact C-N 3.34Å; R8-D10 PolarHBondContact O-N 2.82Å; R8-R377 VanDerWaalsContact O-CZ 3.31Å; R8-R377 PolarHBondContact O-NH1 3.27Å; R8-R377 PolarHBondContact O-NH2 2.93Å
9H95.4Very high93Very high68 Ų6891.3 Ų91.332%0.31544%0.444SS..  trans-49134.9169.1-171.181.9000112.5D11 D371 A373 H376H9-D11 IonicContact CD2-OD1 3.42Å; H9-D11 PolarHBondContact CD2-OD1 3.35Å; H9-D11 IonicContact NE2-OD1 3.3Å; H9-D11 PolarHBondContact NE2-OD1 2.99Å; H9-D371 PolarHBondContact N-O 2.63Å; H9-A373 HydrophobicContact CB-CB 4.23Å; H9-H376 AromaticContact CE1-CE1 3.59Å; H9-H376 AromaticContact CE1-NE2 3.97Å; H9-H376 AromaticContact ND1-CE1 3.38Å; H9-H376 PolarHBondContact ND1-CE1 3.14Å; H9-H376 AromaticContact ND1-NE2 3.92Å
10D96.4Very high93.2Very high57 Ų5789 Ų8931%0.30543%0.434SS..  trans-128.9118.9174-178.6-70.2000109.6R8 I12 Q13 E14 H376R8-D10 PolarHBondContact O-N 2.82Å; D10-I12 PolarHBondContact O-N 2.75Å; D10-I12 WeakPolarHBondContact OD1-CA 3.3Å; D10-I12 VanDerWaalsContact OD1-CB 3.29Å; D10-I12 WeakPolarHBondContact OD1-CB 3.3Å; D10-I12 PolarHBondContact OD1-N 3.45Å; D10-Q13 HydrophobicContact CB-CB 4.1Å; D10-Q13 HydrophobicContact CB-CG 4.12Å; D10-Q13 PolarHBondContact O-N 3.09Å; D10-Q13 PolarHBondContact OD1-N 3.31Å; D10-E14 PolarHBondContact O-N 2.96Å; D10-H376 PolarHBondContact N-CE1 2.97Å; D10-H376 PolarHBondContact N-ND1 2.97Å; D10-H376 PolarHBondContact O-CE1 3.35Å
11D96.4Very high93.4Very high126 Ų12684.8 Ų84.867%0.67441%0.414SS*.Hα-helixtrans-62.3-31-175.2-63.3-35.3000112.5H9 S15H9-D11 IonicContact CD2-OD1 3.42Å; H9-D11 PolarHBondContact CD2-OD1 3.35Å; H9-D11 IonicContact NE2-OD1 3.3Å; H9-D11 PolarHBondContact NE2-OD1 2.99Å; D11-S15 VanDerWaalsContact O-CB 3.28Å; D11-S15 WeakPolarHBondContact O-CB 3.46Å; D11-S15 PolarHBondContact O-N 3.23Å
12I97Very high94.9Very high102 Ų10277 Ų7752%0.52338%0.377SS..Hα-helixtrans-73.4-45.8180-62.9168.5000109.3D10 S15 Y16D10-I12 PolarHBondContact O-N 2.75Å; D10-I12 WeakPolarHBondContact OD1-CA 3.3Å; D10-I12 VanDerWaalsContact OD1-CB 3.29Å; D10-I12 WeakPolarHBondContact OD1-CB 3.3Å; D10-I12 PolarHBondContact OD1-N 3.45Å; I12-S15 PolarHBondContact O-N 2.89Å; I12-Y16 HydrophobicContact CG2-CD2 3.93Å; I12-Y16 HydrophobicContact CG2-CE1 4.5Å; I12-Y16 HydrophobicContact CG2-CE2 3.34Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.31Å
13Q95.9Very high95.4Very high70 Ų7073.2 Ų73.233%0.32736%0.356SS..Hα-helixtrans-65.1-40.2177-65.4-175.1-2.900111.7D10 Y16 L17 H376 R377D10-Q13 HydrophobicContact CB-CB 4.1Å; D10-Q13 HydrophobicContact CB-CG 4.12Å; D10-Q13 PolarHBondContact O-N 3.09Å; D10-Q13 PolarHBondContact OD1-N 3.31Å; Q13-Y16 PolarHBondContact O-N 2.79Å; Q13-L17 WeakPolarHBondContact O-CB 3.4Å; Q13-L17 PolarHBondContact O-N 2.86Å; Q13-H376 HydrophobicContact CB-CB 3.96Å; Q13-H376 VanDerWaalsContact OE1-CB 3.32Å; Q13-R377 VanDerWaalsContact OE1-CZ 3.26Å
14E96.4Very high95.8Very high10 Ų1072.1 Ų72.15%0.04735%0.352CS..Hα-helixtrans-57.8-50.8172.1-179.763.7-165.900110.9D10 Y16 L17 Q18 T351 H376D10-E14 PolarHBondContact O-N 2.96Å; E14-Y16 VanDerWaalsContact C-N 3.34Å; E14-Y16 PolarHBondContact O-N 3Å; E14-L17 PolarHBondContact O-N 3.08Å; E14-L17 VanDerWaalsContact O-N 3.17Å; E14-Q18 HydrophobicContact CG-CG 4.27Å; E14-Q18 WeakPolarHBondContact O-CB 3.43Å; E14-Q18 VanDerWaalsContact O-CG 3.27Å; E14-Q18 WeakPolarHBondContact O-CG 3.46Å; E14-Q18 PolarHBondContact O-N 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 3.48Å; E14-T351 WeakPolarHBondContact OE1-CG2 3.3Å; E14-T351 PolarHBondContact OE1-N 3.38Å; E14-T351 PolarHBondContact OE1-OG1 3.06Å; E14-T351 PolarHBondContact OE2-OG1 3.13Å; E14-H376 IonicContact OE2-CD2 3.66Å; E14-H376 IonicContact OE2-CE1 3.5Å; E14-H376 IonicContact OE2-NE2 3.46Å; E14-H376 PolarHBondContact OE2-NE2 3.14Å
15S97.3Very high96.4Very high67 Ų6771.1 Ų71.147%0.46935%0.345SS..Hα-helixtrans-58.3-43.4179.8-179.40000112.5D11 I12 Q18 H19D11-S15 VanDerWaalsContact O-CB 3.28Å; D11-S15 WeakPolarHBondContact O-CB 3.46Å; D11-S15 PolarHBondContact O-N 3.23Å; I12-S15 PolarHBondContact O-N 2.89Å; S15-Q18 PolarHBondContact O-N 3.46Å; S15-H19 WeakPolarHBondContact O-CB 3.42Å; S15-H19 PolarHBondContact O-N 2.81Å
16Y96.8Very high96.7Very high166 Ų16672.2 Ų72.265%0.65134%0.343SS*.Hα-helixtrans-64.4-42.5175.7-68.4-29.9000112.8I12 Q13 E14 H19 L20I12-Y16 HydrophobicContact CG2-CD2 3.93Å; I12-Y16 HydrophobicContact CG2-CE1 4.5Å; I12-Y16 HydrophobicContact CG2-CE2 3.34Å; I12-Y16 WeakPolarHBondContact O-CD2 3.44Å; I12-Y16 PolarHBondContact O-N 3.31Å; Q13-Y16 PolarHBondContact O-N 2.79Å; E14-Y16 VanDerWaalsContact C-N 3.34Å; E14-Y16 PolarHBondContact O-N 3Å; Y16-H19 PolarHBondContact O-N 3.22Å; Y16-L20 WeakPolarHBondContact O-CB 3.36Å; Y16-L20 PolarHBondContact O-N 3.4Å
17L96.7Very high97Very high14 Ų1469.4 Ų69.47%0.07333%0.334CS..Hα-helixtrans-66.2-44.5179-17654.7000111Q13 E14 H19 L20 I21 T351 Q375 T381Q13-L17 WeakPolarHBondContact O-CB 3.4Å; Q13-L17 PolarHBondContact O-N 2.86Å; E14-L17 PolarHBondContact O-N 3.08Å; E14-L17 VanDerWaalsContact O-N 3.17Å; L17-H19 VanDerWaalsContact C-N 3.32Å; L17-H19 PolarHBondContact O-N 3.29Å; L17-L20 HydrophobicContact CD1-CD2 4.38Å; L17-L20 WeakPolarHBondContact O-CB 3.42Å; L17-L20 PolarHBondContact O-N 2.85Å; L17-I21 HydrophobicContact CD1-CD1 3.93Å; L17-I21 HydrophobicContact CD1-CG1 4.28Å; L17-I21 HydrophobicContact CG-CD1 3.75Å; L17-I21 VanDerWaalsContact O-CD1 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.29Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.16Å; L17-I21 PolarHBondContact O-N 3.26Å; L17-T351 HydrophobicContact CB-CG2 4.37Å; L17-T351 HydrophobicContact CD2-CG2 3.75Å; L17-T351 HydrophobicContact CG-CG2 3.8Å; L17-Q375 HydrophobicContact CD2-CG 4.16Å; L17-T381 HydrophobicContact CD1-CG2 4.14Å
18Q97.5Very high97.1Very high55 Ų5567 Ų6726%0.25733%0.325SS..Hα-helixtrans-58.1-43.8173.8-71.1-179.8-8.700111.7E14 S15 I21 S22 I344 T351E14-Q18 HydrophobicContact CG-CG 4.27Å; E14-Q18 WeakPolarHBondContact O-CB 3.43Å; E14-Q18 VanDerWaalsContact O-CG 3.27Å; E14-Q18 WeakPolarHBondContact O-CG 3.46Å; E14-Q18 PolarHBondContact O-N 3.3Å; E14-Q18 PolarHBondContact OE1-NE2 3.48Å; S15-Q18 PolarHBondContact O-N 3.46Å; Q18-I21 PolarHBondContact O-N 2.78Å; Q18-S22 VanDerWaalsContact O-CB 3.26Å; Q18-S22 WeakPolarHBondContact O-CB 3.39Å; Q18-S22 PolarHBondContact O-N 2.83Å; Q18-S22 PolarHBondContact O-OG 3.43Å; Q18-I344 HydrophobicContact CB-CG2 4.24Å; Q18-I344 HydrophobicContact CG-CG2 3.93Å; Q18-T351 HydrophobicContact CG-CG2 4.18Å
19H97.7Very high97.2Very high135 Ų13563.9 Ų63.963%0.62532%0.317SS*.Hα-helixtrans-63.5-42.5177.3-171.476.4000112.2S15 Y16 L17 S23S15-H19 WeakPolarHBondContact O-CB 3.42Å; S15-H19 PolarHBondContact O-N 2.81Å; Y16-H19 PolarHBondContact O-N 3.22Å; L17-H19 VanDerWaalsContact C-N 3.32Å; L17-H19 PolarHBondContact O-N 3.29Å; H19-S23 VanDerWaalsContact O-CB 3.32Å; H19-S23 WeakPolarHBondContact O-CB 3.41Å; H19-S23 PolarHBondContact O-N 2.82Å; H19-S23 PolarHBondContact O-OG 3.32Å
20L97.9Very high97.3Very high46 Ų4667.9 Ų67.924%0.24134%0.34CS..Hα-helixtrans-60.3-50.5175.4174.163.4000111.6Y16 L17 S22 S23 R24 V382Y16-L20 WeakPolarHBondContact O-CB 3.36Å; Y16-L20 PolarHBondContact O-N 3.4Å; L17-L20 HydrophobicContact CD1-CD2 4.38Å; L17-L20 WeakPolarHBondContact O-CB 3.42Å; L17-L20 PolarHBondContact O-N 2.85Å; L20-S22 PolarHBondContact O-N 3.46Å; L20-S23 PolarHBondContact O-N 3.44Å; L20-R24 HydrophobicContact CD1-CG 4.48Å; L20-R24 WeakPolarHBondContact O-CB 3.43Å; L20-R24 WeakPolarHBondContact O-CG 3.49Å; L20-R24 PolarHBondContact O-N 3.28Å; L20-V382 HydrophobicContact CD2-CB 4.46Å; L20-V382 HydrophobicContact CD2-CG1 4.37Å; L20-V382 HydrophobicContact CD2-CG2 4.2Å
21I98.2Very high97.4Very high1 Ų168.1 Ų68.11%0.00534%0.344CS..Hα-helixtrans-61.7-45.3-179.8-67.1155.5000110.4L17 Q18 S23 R24 H25 V335 A341 I344 T351L17-I21 HydrophobicContact CD1-CD1 3.93Å; L17-I21 HydrophobicContact CD1-CG1 4.28Å; L17-I21 HydrophobicContact CG-CD1 3.75Å; L17-I21 VanDerWaalsContact O-CD1 3.31Å; L17-I21 WeakPolarHBondContact O-CD1 3.29Å; L17-I21 VanDerWaalsContact O-CG1 3.28Å; L17-I21 WeakPolarHBondContact O-CG1 3.16Å; L17-I21 PolarHBondContact O-N 3.26Å; Q18-I21 PolarHBondContact O-N 2.78Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 2.79Å; I21-R24 PolarHBondContact O-N 3.34Å; I21-H25 WeakPolarHBondContact O-CB 3.19Å; I21-H25 PolarHBondContact O-N 2.74Å; I21-V335 HydrophobicContact CD1-CG2 3.31Å; I21-V335 HydrophobicContact CG1-CG2 3.95Å; I21-V335 VanDerWaalsContact CG2-O 3.29Å; I21-V335 WeakPolarHBondContact CG2-O 3.38Å; I21-A341 HydrophobicContact CG2-CB 4.01Å; I21-I344 HydrophobicContact CB-CG2 4.44Å; I21-I344 HydrophobicContact CD1-CD1 4.25Å; I21-I344 HydrophobicContact CD1-CG2 4.31Å; I21-I344 HydrophobicContact CG2-CB 4.41Å; I21-I344 HydrophobicContact CG2-CD1 4.38Å; I21-I344 HydrophobicContact CG2-CG2 4.21Å; I21-T351 HydrophobicContact CD1-CG2 3.75Å
22S98Very high97.4Very high21 Ų2165.6 Ų65.615%0.14735%0.348CS..Hα-helixtrans-60.9-43.8178.2-58.40000111.8Q18 L20 R24 H25 Q26 A345Q18-S22 VanDerWaalsContact O-CB 3.26Å; Q18-S22 WeakPolarHBondContact O-CB 3.39Å; Q18-S22 PolarHBondContact O-N 2.83Å; Q18-S22 PolarHBondContact O-OG 3.43Å; L20-S22 PolarHBondContact O-N 3.46Å; S22-R24 PolarHBondContact O-N 3.16Å; S22-H25 WeakPolarHBondContact O-CB 3.3Å; S22-H25 PolarHBondContact O-N 2.89Å; S22-Q26 WeakPolarHBondContact O-CG 3.43Å; S22-Q26 PolarHBondContact O-N 2.77Å; S22-A345 VanDerWaalsContact OG-CA 3.3Å; S22-A345 WeakPolarHBondContact OG-CA 3.43Å; S22-A345 WeakPolarHBondContact OG-CB 3.2Å
23S98.3Very high97.4Very high46 Ų4663.2 Ų63.232%0.32233%0.333SS..Hα-helixtrans-64.5-40.1177.7-60.90000111.7H19 L20 I21 Q26 L27H19-S23 VanDerWaalsContact O-CB 3.32Å; H19-S23 WeakPolarHBondContact O-CB 3.41Å; H19-S23 PolarHBondContact O-N 2.82Å; H19-S23 PolarHBondContact O-OG 3.32Å; L20-S23 PolarHBondContact O-N 3.44Å; I21-S23 VanDerWaalsContact C-N 3.34Å; I21-S23 PolarHBondContact O-N 2.79Å; S23-Q26 PolarHBondContact O-N 3.24Å; S23-L27 WeakPolarHBondContact O-CB 3.22Å; S23-L27 PolarHBondContact O-N 2.93Å
24R97.9Very high97.4Very high30 Ų3065.8 Ų65.811%0.11335%0.345CS..Hα-helixtrans-66.9-38.6175-80.7-179.6171.3156.32.1112.8L20 I21 S22 L27 S28 F36 H336 T381 V382L20-R24 HydrophobicContact CD1-CG 4.48Å; L20-R24 WeakPolarHBondContact O-CB 3.43Å; L20-R24 WeakPolarHBondContact O-CG 3.49Å; L20-R24 PolarHBondContact O-N 3.28Å; I21-R24 PolarHBondContact O-N 3.34Å; S22-R24 PolarHBondContact O-N 3.16Å; R24-L27 PolarHBondContact O-N 3.35Å; R24-S28 PolarHBondContact O-N 2.75Å; R24-F36 HydrophobicContact CB-CB 3.98Å; R24-F36 HydrophobicContact CB-CD1 4.29Å; R24-F36 HydrophobicContact CB-CD2 3.61Å; R24-F36 HydrophobicContact CB-CE2 4.14Å; R24-F36 HydrophobicContact CB-CG 3.7Å; R24-F36 HydrophobicContact CG-CD1 4.36Å; R24-F36 HydrophobicContact CG-CD2 3.75Å; R24-F36 HydrophobicContact CG-CE1 4.32Å; R24-F36 HydrophobicContact CG-CE2 3.72Å; R24-F36 HydrophobicContact CG-CG 4.07Å; R24-F36 HydrophobicContact CG-CZ 4.02Å; R24-H336 WeakPolarHBondContact CD-NE2 3.26Å; R24-H336 PolarHBondContact NH1-NE2 3.41Å; R24-T381 PolarHBondContact NH1-O 2.67Å; R24-V382 PolarHBondContact NH2-O 3.28Å
25H98.1Very high97.5Very high35 Ų3565.3 Ų65.316%0.16234%0.343CS..Hα-helixtrans-60.8-50.4172.4178.859.8000110.8I21 S22 L27 S28 Q29 A341I21-H25 WeakPolarHBondContact O-CB 3.19Å; I21-H25 PolarHBondContact O-N 2.74Å; S22-H25 WeakPolarHBondContact O-CB 3.3Å; S22-H25 PolarHBondContact O-N 2.89Å; H25-L27 VanDerWaalsContact C-N 3.33Å; H25-L27 PolarHBondContact O-N 3.09Å; H25-S28 WeakPolarHBondContact O-CB 3.42Å; H25-S28 PolarHBondContact O-N 3.46Å; H25-S28 VanDerWaalsContact O-N 3.08Å; H25-S28 PolarHBondContact O-OG 2.94Å; H25-Q29 PolarHBondContact O-N 2.94Å; H25-Q29 VanDerWaalsContact O-N 3.15Å; H25-A341 HydrophobicContact CB-CB 4.11Å
26Q98.1Very high97.5Very high122 Ų12263 Ų6357%0.5733%0.325SS*.Hα-helixtrans-57.8-43.8175.4-70.8176.70.100112.3S22 S23 S28 Q29 L30S22-Q26 WeakPolarHBondContact O-CG 3.43Å; S22-Q26 PolarHBondContact O-N 2.77Å; S23-Q26 PolarHBondContact O-N 3.24Å; Q26-S28 VanDerWaalsContact C-N 3.28Å; Q26-S28 PolarHBondContact O-N 2.98Å; Q26-Q29 PolarHBondContact O-N 2.93Å; Q26-L30 WeakPolarHBondContact O-CG 3.31Å; Q26-L30 PolarHBondContact O-N 3.1Å
27L97.8Very high97.5Very high67 Ų6755.1 Ų55.135%0.35129%0.294SS..Hα-helixtrans-56.8-42.3175.4174.763.4000111.7S23 R24 H25 L30 T31 F36S23-L27 WeakPolarHBondContact O-CB 3.22Å; S23-L27 PolarHBondContact O-N 2.93Å; R24-L27 PolarHBondContact O-N 3.35Å; H25-L27 VanDerWaalsContact C-N 3.33Å; H25-L27 PolarHBondContact O-N 3.09Å; L27-L30 PolarHBondContact O-N 3.27Å; L27-T31 HydrophobicContact CD1-CG2 3.96Å; L27-T31 WeakPolarHBondContact O-CB 3.26Å; L27-T31 WeakPolarHBondContact O-CG2 3.33Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.11Å; L27-F36 HydrophobicContact CD2-CD2 4.5Å; L27-F36 HydrophobicContact CD2-CE2 4.17Å
28S97.2Very high97.5Very high0 Ų055.9 Ų55.90%030%0.297CS..Hα-helixtrans-62.5-45.817869.40000112.1R24 H25 Q26 L30 T31 G32 F33 S35 F36R24-S28 PolarHBondContact O-N 2.75Å; H25-S28 WeakPolarHBondContact O-CB 3.42Å; H25-S28 PolarHBondContact O-N 3.46Å; H25-S28 VanDerWaalsContact O-N 3.08Å; H25-S28 PolarHBondContact O-OG 2.94Å; Q26-S28 VanDerWaalsContact C-N 3.28Å; Q26-S28 PolarHBondContact O-N 2.98Å; S28-L30 PolarHBondContact O-N 3.41Å; S28-T31 CarbonylContact O-C 3.48Å; S28-T31 PolarHBondContact O-N 3.22Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-T31 PolarHBondContact O-OG1 3.35Å; S28-G32 PolarHBondContact O-N 2.64Å; S28-G32 VanDerWaalsContact O-N 3.14Å; S28-F33 CarbonylContact C-O 3.05Å; S28-F33 VanDerWaalsContact C-O 3.29Å; S28-F33 PolarHBondContact O-N 3.13Å; S28-F33 VanDerWaalsContact O-O 3.13Å; S28-S35 WeakPolarHBondContact CB-O 3.34Å; S28-S35 WeakPolarHBondContact OG-CA 3.38Å; S28-F36 VanDerWaalsContact CB-N 3.33Å; S28-F36 PolarHBondContact OG-N 3.37Å
29Q96.6Very high97.4Very high104 Ų10457.7 Ų57.749%0.48630%0.301SS..Hα-helixtrans-61.3-45.7177.7-60.2-57.1-55.800111.5H25 Q26 T31 G32 F33 E34H25-Q29 PolarHBondContact O-N 2.94Å; H25-Q29 VanDerWaalsContact O-N 3.15Å; Q26-Q29 PolarHBondContact O-N 2.93Å; Q29-T31 PolarHBondContact O-N 3.05Å; Q29-G32 PolarHBondContact O-N 2.93Å; Q29-F33 PolarHBondContact NE2-O 3.11Å; Q29-E34 PolarHBondContact NE2-O 2.8Å
30L97.9Very high97.3Very high151 Ų15151.6 Ų51.679%0.79127%0.274SS*.Hα-helixtrans-64.3-26.3178.5-70.8173.1000113.4Q26 L27 S28Q26-L30 WeakPolarHBondContact O-CG 3.31Å; Q26-L30 PolarHBondContact O-N 3.1Å; L27-L30 PolarHBondContact O-N 3.27Å; S28-L30 PolarHBondContact O-N 3.41Å
31T97Very high97.1Very high63 Ų6349.4 Ų49.439%0.38726%0.263SS..THydrogen-bonded Turntrans-98.78179.953.80000113.2L27 S28 Q29 F33L27-T31 HydrophobicContact CD1-CG2 3.96Å; L27-T31 WeakPolarHBondContact O-CB 3.26Å; L27-T31 WeakPolarHBondContact O-CG2 3.33Å; L27-T31 PolarHBondContact O-N 3.49Å; L27-T31 PolarHBondContact O-OG1 3.11Å; S28-T31 CarbonylContact O-C 3.48Å; S28-T31 PolarHBondContact O-N 3.22Å; S28-T31 VanDerWaalsContact O-N 3.15Å; S28-T31 PolarHBondContact O-OG1 3.35Å; Q29-T31 PolarHBondContact O-N 3.05Å; T31-F33 VanDerWaalsContact O-CD2 3.31Å; T31-F33 WeakPolarHBondContact O-CD2 3.2Å; T31-F33 WeakPolarHBondContact O-CE2 3.07Å; T31-F33 WeakPolarHBondContact OG1-CD2 3.27Å
32G96.9Very high96.8Very high73 Ų7356.7 Ų56.775%0.75329%0.29SS*.THydrogen-bonded Turntrans79.821.8174.700000114.8S28 Q29S28-G32 PolarHBondContact O-N 2.64Å; S28-G32 VanDerWaalsContact O-N 3.14Å; Q29-G32 PolarHBondContact O-N 2.93Å
33F96.9Very high96.3Very high51 Ų5160.5 Ų60.522%0.22431%0.309CS..  trans-107.1147175.6-65.5-89.7000111S28 Q29 T31 S35 H38 R39 R42S28-F33 CarbonylContact C-O 3.05Å; S28-F33 VanDerWaalsContact C-O 3.29Å; S28-F33 PolarHBondContact O-N 3.13Å; S28-F33 VanDerWaalsContact O-O 3.13Å; Q29-F33 PolarHBondContact NE2-O 3.11Å; T31-F33 VanDerWaalsContact O-CD2 3.31Å; T31-F33 WeakPolarHBondContact O-CD2 3.2Å; T31-F33 WeakPolarHBondContact O-CE2 3.07Å; T31-F33 WeakPolarHBondContact OG1-CD2 3.27Å; F33-S35 VanDerWaalsContact C-N 3.32Å; F33-S35 PolarHBondContact O-N 2.85Å; F33-H38 HydrophobicContact CD1-CB 4.47Å; F33-R39 HydrophobicContact CB-CB 4.08Å; F33-R39 HydrophobicContact CD1-CB 3.95Å; F33-R39 HydrophobicContact CD2-CB 3.85Å; F33-R39 HydrophobicContact CD2-CG 3.84Å; F33-R39 HydrophobicContact CE1-CB 4.4Å; F33-R39 HydrophobicContact CE2-CB 4.31Å; F33-R39 HydrophobicContact CE2-CG 3.91Å; F33-R39 HydrophobicContact CG-CB 3.67Å; F33-R39 HydrophobicContact CG-CG 4.18Å; F33-R39 HydrophobicContact CZ-CG 4.31Å; F33-R42 HydrophobicContact CE1-CG 4.27Å
34E96.2Very high96Very high124 Ų12458.6 Ų58.658%0.57930%0.296SS*.SBendtrans-64.1-36.7177-172.9-177160.700112.5Q29 H38 P338Q29-E34 PolarHBondContact NE2-O 2.8Å; E34-H38 IonicContact OE2-CE1 3.45Å; E34-P338 HydrophobicContact CG-CB 4.03Å; E34-P338 WeakPolarHBondContact OE1-CB 3.33Å
35S97.7Very high95.8Very high0 Ų058 Ų580%030%0.295CS..SBendtrans-150.4168.617677.80000112.2S28 F33 A37 H38 R39 H336S28-S35 WeakPolarHBondContact CB-O 3.34Å; S28-S35 WeakPolarHBondContact OG-CA 3.38Å; F33-S35 VanDerWaalsContact C-N 3.32Å; F33-S35 PolarHBondContact O-N 2.85Å; S35-A37 VanDerWaalsContact C-N 3.27Å; S35-A37 PolarHBondContact O-N 2.91Å; S35-A37 PolarHBondContact OG-N 3.36Å; S35-H38 PolarHBondContact O-N 3.27Å; S35-H38 PolarHBondContact OG-N 3.05Å; S35-H38 PolarHBondContact OG-ND1 3.4Å; S35-R39 PolarHBondContact O-N 3.44Å; S35-H336 WeakPolarHBondContact CB-O 3.48Å; S35-H336 PolarHBondContact OG-O 3.13Å
36F97.8Very high95.7Very high20 Ų2056.8 Ų56.89%0.08829%0.29CS..Hα-helixtrans-64.4-36175.6-174.9-97.6000111.4R24 L27 S28 R39 A40 H336 G385 A386R24-F36 HydrophobicContact CB-CB 3.98Å; R24-F36 HydrophobicContact CB-CD1 4.29Å; R24-F36 HydrophobicContact CB-CD2 3.61Å; R24-F36 HydrophobicContact CB-CE2 4.14Å; R24-F36 HydrophobicContact CB-CG 3.7Å; R24-F36 HydrophobicContact CG-CD1 4.36Å; R24-F36 HydrophobicContact CG-CD2 3.75Å; R24-F36 HydrophobicContact CG-CE1 4.32Å; R24-F36 HydrophobicContact CG-CE2 3.72Å; R24-F36 HydrophobicContact CG-CG 4.07Å; R24-F36 HydrophobicContact CG-CZ 4.02Å; L27-F36 HydrophobicContact CD2-CD2 4.5Å; L27-F36 HydrophobicContact CD2-CE2 4.17Å; S28-F36 VanDerWaalsContact CB-N 3.33Å; S28-F36 PolarHBondContact OG-N 3.37Å; F36-R39 WeakPolarHBondContact O-CB 3.31Å; F36-R39 PolarHBondContact O-N 2.79Å; F36-A40 HydrophobicContact CE1-CB 4.48Å; F36-A40 WeakPolarHBondContact O-CB 3.42Å; F36-A40 PolarHBondContact O-N 2.89Å; F36-H336 HydrophobicContact CB-CB 4.26Å; F36-H336 HydrophobicContact CD1-CB 4Å; F36-H336 AromaticContact CD1-CD2 3.58Å; F36-H336 AromaticContact CD1-CG 3.86Å; F36-H336 PolarHBondContact N-O 2.8Å; F36-G385 WeakPolarHBondContact CE1-O 3.36Å; F36-A386 HydrophobicContact CD1-CB 4.26Å
37A97.6Very high95.4Very high0 Ų056.8 Ų56.80%029%0.289CS..Hα-helixtrans-60.3-44.4174.900000112.3S35 R39 A40 Q41 Y49 L333 H336 A386S35-A37 VanDerWaalsContact C-N 3.27Å; S35-A37 PolarHBondContact O-N 2.91Å; S35-A37 PolarHBondContact OG-N 3.36Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 3.38Å; A37-A40 PolarHBondContact O-N 2.95Å; A37-A40 VanDerWaalsContact O-N 3.16Å; A37-Q41 VanDerWaalsContact O-CG 3.32Å; A37-Q41 WeakPolarHBondContact O-CG 3.2Å; A37-Q41 PolarHBondContact O-N 2.96Å; A37-Q41 PolarHBondContact O-NE2 3.3Å; A37-Y49 HydrophobicContact CB-CD2 3.67Å; A37-Y49 HydrophobicContact CB-CE2 4.36Å; A37-Y49 HydrophobicContact CB-CG 4.46Å; A37-L333 HydrophobicContact CB-CD1 4.07Å; A37-H336 HydrophobicContact CB-CB 4.22Å; A37-H336 WeakPolarHBondContact CB-O 3.13Å; A37-H336 PolarHBondContact N-O 2.86Å; A37-A386 HydrophobicContact CB-CB 3.97Å
38H96.7Very high95.1Very high30 Ų3056.4 Ų56.414%0.13929%0.288CS..Hα-helixtrans-59.2-41.2174.6-70.8100.3000112.2F33 E34 S35 Y49F33-H38 HydrophobicContact CD1-CB 4.47Å; E34-H38 IonicContact OE2-CE1 3.45Å; S35-H38 PolarHBondContact O-N 3.27Å; S35-H38 PolarHBondContact OG-N 3.05Å; S35-H38 PolarHBondContact OG-ND1 3.4Å; H38-Y49 AromaticContact CE1-CD1 3.85Å; H38-Y49 AromaticContact NE2-CD1 3.74Å
39R95.5Very high95.1Very high92 Ų9256.8 Ų56.835%0.34729%0.289SS..Hα-helixtrans-65.7-39.4176.4-177.7179.8168.4-80.8-1.4112.1F33 S35 F36 A37 Q41F33-R39 HydrophobicContact CB-CB 4.08Å; F33-R39 HydrophobicContact CD1-CB 3.95Å; F33-R39 HydrophobicContact CD2-CB 3.85Å; F33-R39 HydrophobicContact CD2-CG 3.84Å; F33-R39 HydrophobicContact CE1-CB 4.4Å; F33-R39 HydrophobicContact CE2-CB 4.31Å; F33-R39 HydrophobicContact CE2-CG 3.91Å; F33-R39 HydrophobicContact CG-CB 3.67Å; F33-R39 HydrophobicContact CG-CG 4.18Å; F33-R39 HydrophobicContact CZ-CG 4.31Å; S35-R39 PolarHBondContact O-N 3.44Å; F36-R39 WeakPolarHBondContact O-CB 3.31Å; F36-R39 PolarHBondContact O-N 2.79Å; A37-R39 VanDerWaalsContact C-N 3.3Å; A37-R39 PolarHBondContact O-N 3.38Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 2.79Å
40A95.2Very high95.1Very high7 Ų755.8 Ų55.86%0.05829%0.287CS..Hα-helixtrans-67.8-30.6-173.800000113.2F36 A37 R42 A386 K387F36-A40 HydrophobicContact CE1-CB 4.48Å; F36-A40 WeakPolarHBondContact O-CB 3.42Å; F36-A40 PolarHBondContact O-N 2.89Å; A37-A40 PolarHBondContact O-N 2.95Å; A37-A40 VanDerWaalsContact O-N 3.16Å; A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.14Å; A40-A386 HydrophobicContact CB-CB 3.86Å; A40-K387 HydrophobicContact CB-CG 4.38Å; A40-K387 WeakPolarHBondContact O-CE 3.41Å; A40-K387 PolarHBondContact O-NZ 3.33Å
41Q94.3Very high95.1Very high0 Ų050.4 Ų50.40%026%0.261CS..THydrogen-bonded Turntrans-78.1-5-176.6-50.4-33-29.800115.2A37 R39 N43 S44 E47 V52 A386 Y389A37-Q41 VanDerWaalsContact O-CG 3.32Å; A37-Q41 WeakPolarHBondContact O-CG 3.2Å; A37-Q41 PolarHBondContact O-N 2.96Å; A37-Q41 PolarHBondContact O-NE2 3.3Å; R39-Q41 VanDerWaalsContact C-N 3.33Å; R39-Q41 PolarHBondContact O-N 2.79Å; Q41-N43 PolarHBondContact O-N 2.85Å; Q41-S44 WeakPolarHBondContact O-CB 3.35Å; Q41-S44 PolarHBondContact O-N 3.17Å; Q41-S44 PolarHBondContact O-OG 2.96Å; Q41-E47 WeakPolarHBondContact CB-O 3.49Å; Q41-E47 WeakPolarHBondContact O-CA 3.2Å; Q41-V52 HydrophobicContact CG-CG2 4.12Å; Q41-A386 PolarHBondContact NE2-O 2.94Å; Q41-Y389 PolarHBondContact OE1-OH 3.48Å
42R90.4Very high95.2Very high155 Ų15547.4 Ų47.459%0.58524%0.242SC*.THydrogen-bonded Turntrans-58.2128.4177.7-69.5-166.566.9-175.83111.3F33 A40 S44F33-R42 HydrophobicContact CE1-CG 4.27Å; A40-R42 VanDerWaalsContact C-N 3.27Å; A40-R42 PolarHBondContact O-N 3.14Å; R42-S44 PolarHBondContact O-N 3.25Å
43N88.2Confident95.3Very high100 Ų10048.6 Ų48.654%0.53522%0.224SC..THydrogen-bonded Turntrans6511.6-178.4-43.4-48.8000114.7Q41 P267Q41-N43 PolarHBondContact O-N 2.85Å; N43-P267 WeakPolarHBondContact O-CG 3.35Å
44S92.8Very high95.3Very high7 Ų749.4 Ų49.45%0.04924%0.236CC..SBendtrans-77168.4166.283.80000109.8Q41 R42 L46 E47 D269 Y389 H430Q41-S44 WeakPolarHBondContact O-CB 3.35Å; Q41-S44 PolarHBondContact O-N 3.17Å; Q41-S44 PolarHBondContact O-OG 2.96Å; R42-S44 PolarHBondContact O-N 3.25Å; S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.38Å; S44-E47 WeakPolarHBondContact O-CG 3.31Å; S44-E47 PolarHBondContact O-N 2.84Å; S44-E47 PolarHBondContact OG-N 2.84Å; S44-E47 VanDerWaalsContact OG-N 3.16Å; S44-D269 VanDerWaalsContact CB-OD2 3.24Å; S44-D269 WeakPolarHBondContact CB-OD2 3.41Å; S44-Y389 VanDerWaalsContact CB-OH 3.3Å; S44-Y389 WeakPolarHBondContact CB-OH 3.45Å; S44-Y389 PolarHBondContact OG-OH 3.15Å; S44-H430 PolarHBondContact O-CE1 3.37Å
45L93.6Very high95.4Very high16 Ų1643.5 Ų43.58%0.08421%0.208CC..SBendtrans-61.8-39.6178.5-174.768000112.5D269 V393 P431 A432 L435 L448L45-D269 WeakPolarHBondContact CB-OD2 3.28Å; L45-D269 PolarHBondContact N-OD2 2.93Å; L45-V393 HydrophobicContact CB-CG1 4.3Å; L45-V393 HydrophobicContact CD2-CG1 3.54Å; L45-V393 HydrophobicContact CG-CG1 4.5Å; L45-P431 HydrophobicContact CB-CB 4.36Å; L45-P431 HydrophobicContact CD1-CB 4.01Å; L45-A432 HydrophobicContact CD1-CB 3.95Å; L45-L435 HydrophobicContact CD1-CD1 3.7Å; L45-L435 HydrophobicContact CD2-CD1 3.57Å; L45-L435 HydrophobicContact CG-CD1 4.3Å; L45-L448 HydrophobicContact CD2-CD1 4.22Å
46L94.5Very high95.5Very high11 Ų1143.5 Ų43.56%0.05821%0.208CC..SBendtrans-91.3-10.2-178-64-174.8000114S44 N48 T51 V52 F55 Y389 V393 L448S44-L46 VanDerWaalsContact C-N 3.33Å; S44-L46 PolarHBondContact O-N 3.38Å; L46-N48 PolarHBondContact O-N 3.37Å; L46-T51 HydrophobicContact CB-CG2 4.09Å; L46-T51 HydrophobicContact CD2-CG2 4.09Å; L46-V52 HydrophobicContact CB-CG2 3.74Å; L46-V52 HydrophobicContact CD1-CG2 4.02Å; L46-F55 HydrophobicContact CD1-CB 3.72Å; L46-F55 HydrophobicContact CD1-CD1 4.08Å; L46-F55 HydrophobicContact CD1-CG 3.86Å; L46-Y389 HydrophobicContact CD1-CD2 4.37Å; L46-Y389 HydrophobicContact CD1-CE2 4.14Å; L46-V393 HydrophobicContact CD1-CG2 3.76Å; L46-V393 HydrophobicContact CG-CG2 4.3Å; L46-L448 HydrophobicContact CD2-CD1 3.93Å
47E91.9Very high95.5Very high121 Ų12145.2 Ų45.257%0.56521%0.214SC*.  trans59.2-22.7169.5-61.7-171.8118.900118.8Q41 S44 H430Q41-E47 WeakPolarHBondContact CB-O 3.49Å; Q41-E47 WeakPolarHBondContact O-CA 3.2Å; S44-E47 WeakPolarHBondContact O-CG 3.31Å; S44-E47 PolarHBondContact O-N 2.84Å; S44-E47 PolarHBondContact OG-N 2.84Å; S44-E47 VanDerWaalsContact OG-N 3.16Å; E47-H430 IonicContact OE1-CE1 2.99Å; E47-H430 IonicContact OE1-NE2 3.33Å; E47-H430 PolarHBondContact OE1-NE2 3.45Å
48N92.4Very high95.6Very high59 Ų5946.1 Ų46.132%0.31622%0.224SC..SBendtrans-140.3147.3-174.3-171.814.1000113.3L46 D50 T51 V52L46-N48 PolarHBondContact O-N 3.37Å; N48-D50 VanDerWaalsContact C-N 3.34Å; N48-D50 PolarHBondContact ND2-OD2 3.38Å; N48-D50 PolarHBondContact O-N 2.87Å; N48-T51 PolarHBondContact O-N 3.22Å; N48-V52 VanDerWaalsContact O-CG2 3.3Å; N48-V52 WeakPolarHBondContact O-CG2 3.19Å; N48-V52 PolarHBondContact O-N 3Å
49Y97.1Very high95.7Very high8 Ų844.7 Ų44.73%0.03122%0.217CC..Hα-helixtrans-50.9-48.1173.6164.7-98.8000112.3A37 H38 T51 V52 R53 L333 E334 P338A37-Y49 HydrophobicContact CB-CD2 3.67Å; A37-Y49 HydrophobicContact CB-CE2 4.36Å; A37-Y49 HydrophobicContact CB-CG 4.46Å; H38-Y49 AromaticContact CE1-CD1 3.85Å; H38-Y49 AromaticContact NE2-CD1 3.74Å; Y49-T51 PolarHBondContact O-N 2.66Å; Y49-V52 PolarHBondContact O-N 2.92Å; Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.32Å; Y49-R53 PolarHBondContact O-N 3.47Å; Y49-L333 HydrophobicContact CD2-CD1 3.85Å; Y49-L333 HydrophobicContact CD2-CD2 3.97Å; Y49-L333 HydrophobicContact CD2-CG 3.73Å; Y49-L333 HydrophobicContact CE2-CD1 4.4Å; Y49-L333 HydrophobicContact CE2-CD2 3.97Å; Y49-L333 HydrophobicContact CE2-CG 3.78Å; Y49-E334 VanDerWaalsContact OH-CD 3.31Å; Y49-E334 PolarHBondContact OH-OE1 3.47Å; Y49-E334 PolarHBondContact OH-OE2 3.33Å; Y49-P338 HydrophobicContact CE1-CG 4.03Å
50D97.6Very high95.8Very high84 Ų8440.4 Ų40.445%0.44920%0.201SC..Hα-helixtrans-64.2-40.9-177.2-62.1-57.5000112.4N48 R53 S54N48-D50 VanDerWaalsContact C-N 3.34Å; N48-D50 PolarHBondContact ND2-OD2 3.38Å; N48-D50 PolarHBondContact O-N 2.87Å; D50-R53 PolarHBondContact O-N 3.12Å; D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 3.44Å; D50-S54 PolarHBondContact O-OG 3.42Å
51T97.4Very high95.9Very high38 Ų3845 Ų4523%0.23322%0.221CC..Hα-helixtrans-66.7-42.2178.1-53.70000111L46 N48 Y49 S54 F55 E445L46-T51 HydrophobicContact CB-CG2 4.09Å; L46-T51 HydrophobicContact CD2-CG2 4.09Å; N48-T51 PolarHBondContact O-N 3.22Å; Y49-T51 PolarHBondContact O-N 2.66Å; T51-S54 PolarHBondContact O-N 3.16Å; T51-F55 WeakPolarHBondContact O-CB 3.27Å; T51-F55 PolarHBondContact O-N 2.85Å; T51-E445 HydrophobicContact CG2-CB 4.27Å; T51-E445 HydrophobicContact CG2-CG 4.42Å
52V98.1Very high96Very high0 Ų048 Ų480%023%0.234CC..Hα-helixtrans-63.5-42.5174.6176.80000111.1Q41 L46 N48 Y49 F55 L56 L333 Y389Q41-V52 HydrophobicContact CG-CG2 4.12Å; L46-V52 HydrophobicContact CB-CG2 3.74Å; L46-V52 HydrophobicContact CD1-CG2 4.02Å; N48-V52 VanDerWaalsContact O-CG2 3.3Å; N48-V52 WeakPolarHBondContact O-CG2 3.19Å; N48-V52 PolarHBondContact O-N 3Å; Y49-V52 PolarHBondContact O-N 2.92Å; V52-F55 WeakPolarHBondContact O-CB 3.24Å; V52-F55 PolarHBondContact O-N 2.99Å; V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.24Å; V52-L333 HydrophobicContact CB-CD1 4.34Å; V52-L333 HydrophobicContact CB-CD2 4.23Å; V52-L333 HydrophobicContact CG1-CD1 3.9Å; V52-L333 HydrophobicContact CG1-CD2 3.85Å; V52-L333 HydrophobicContact CG1-CG 4.45Å; V52-Y389 HydrophobicContact CB-CE2 4.47Å; V52-Y389 HydrophobicContact CG1-CD1 3.4Å; V52-Y389 VanDerWaalsContact CG1-CD1 3.4Å; V52-Y389 HydrophobicContact CG1-CD2 3.62Å; V52-Y389 HydrophobicContact CG1-CE1 3.75Å; V52-Y389 HydrophobicContact CG1-CE2 3.98Å; V52-Y389 HydrophobicContact CG1-CG 3.32Å; V52-Y389 HydrophobicContact CG2-CD1 4.39Å; V52-Y389 HydrophobicContact CG2-CD2 4.14Å; V52-Y389 HydrophobicContact CG2-CE1 3.9Å; V52-Y389 HydrophobicContact CG2-CE2 3.64Å; V52-Y389 HydrophobicContact CG2-CG 4.49Å; V52-Y389 VanDerWaalsContact CG2-CZ 3.48Å
53R98.4Very high96.3Very high98 Ų9840.7 Ų40.737%0.3721%0.207SC..Hα-helixtrans-62.5-45.7177-174.1177.3-175.9-89.5-4.8111.5Y49 D50 F55 L56 W57 L333 E334Y49-R53 VanDerWaalsContact O-CB 3.27Å; Y49-R53 WeakPolarHBondContact O-CB 3.32Å; Y49-R53 PolarHBondContact O-N 3.47Å; D50-R53 PolarHBondContact O-N 3.12Å; R53-F55 VanDerWaalsContact C-N 3.35Å; R53-L56 PolarHBondContact O-N 2.89Å; R53-W57 PolarHBondContact O-N 2.84Å; R53-L333 HydrophobicContact CB-CD2 3.76Å; R53-L333 HydrophobicContact CG-CD2 4.43Å; R53-E334 VanDerWaalsContact CD-OE1 3.25Å; R53-E334 WeakPolarHBondContact CD-OE1 3.28Å; R53-E334 IonicContact CZ-OE1 3.6Å; R53-E334 IonicContact NE-OE1 2.75Å; R53-E334 PolarHBondContact NE-OE1 2.9Å; R53-E334 IonicContact NH2-OE1 3.44Å
54S98.5Very high96.6Very high67 Ų6738.7 Ų38.747%0.46919%0.192SC..Hα-helixtrans-61.8-40.7174-74.30000112.2D50 T51 G58D50-S54 WeakPolarHBondContact O-CB 3.49Å; D50-S54 PolarHBondContact O-N 3.44Å; D50-S54 PolarHBondContact O-OG 3.42Å; T51-S54 PolarHBondContact O-N 3.16Å; S54-G58 WeakPolarHBondContact O-CA 3.32Å; S54-G58 PolarHBondContact O-N 3.43Å
55F98.7Very high96.7Very high0 Ų040.4 Ų40.40%021%0.211CC..Hα-helixtrans-58.5-54.3174.3167.2-106000111.2L46 T51 V52 R53 W57 G58 V59 L392 V393 E445 L448 T449 L452L46-F55 HydrophobicContact CD1-CB 3.72Å; L46-F55 HydrophobicContact CD1-CD1 4.08Å; L46-F55 HydrophobicContact CD1-CG 3.86Å; T51-F55 WeakPolarHBondContact O-CB 3.27Å; T51-F55 PolarHBondContact O-N 2.85Å; V52-F55 WeakPolarHBondContact O-CB 3.24Å; V52-F55 PolarHBondContact O-N 2.99Å; R53-F55 VanDerWaalsContact C-N 3.35Å; F55-W57 PolarHBondContact O-N 3.11Å; F55-G58 CarbonylContact O-C 3.37Å; F55-G58 WeakPolarHBondContact O-CA 3.39Å; F55-G58 PolarHBondContact O-N 3.08Å; F55-G58 VanDerWaalsContact O-N 3.13Å; F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 4.34Å; F55-V59 HydrophobicContact CE2-CG2 3.85Å; F55-V59 HydrophobicContact CZ-CG2 3.87Å; F55-V59 WeakPolarHBondContact O-CG2 3.31Å; F55-V59 PolarHBondContact O-N 3.02Å; F55-L392 HydrophobicContact CE1-CB 3.89Å; F55-L392 HydrophobicContact CZ-CB 3.89Å; F55-V393 HydrophobicContact CD1-CG2 3.92Å; F55-V393 HydrophobicContact CE1-CG2 3.52Å; F55-V393 HydrophobicContact CE2-CG2 4.4Å; F55-V393 HydrophobicContact CZ-CG2 3.8Å; F55-E445 HydrophobicContact CB-CB 3.91Å; F55-E445 HydrophobicContact CD2-CB 4.49Å; F55-L448 HydrophobicContact CD2-CB 4.01Å; F55-L448 HydrophobicContact CE2-CB 3.59Å; F55-T449 HydrophobicContact CD2-CG2 3.53Å; F55-T449 HydrophobicContact CE2-CG2 3.91Å; F55-T449 HydrophobicContact CG-CG2 4.4Å; F55-T449 WeakPolarHBondContact O-CG2 3.45Å; F55-L452 HydrophobicContact CE2-CD1 4.27Å; F55-L452 HydrophobicContact CZ-CD1 3.92Å
56L98.8Very high96.7Very high0 Ų040 Ų400%021%0.21CC..Hα-helixtrans-63.4-44.9-176.2-70.8165.8000112.8V52 R53 G58 V59 V60 A326 L330 L333 L392V52-L56 HydrophobicContact CG1-CD1 4.08Å; V52-L56 WeakPolarHBondContact O-CG 3.18Å; V52-L56 PolarHBondContact O-N 3.24Å; R53-L56 PolarHBondContact O-N 2.89Å; L56-G58 VanDerWaalsContact C-N 3.3Å; L56-G58 PolarHBondContact O-N 2.87Å; L56-V59 PolarHBondContact O-N 3.48Å; L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 3.23Å; L56-V60 VanDerWaalsContact O-N 3.14Å; L56-A326 HydrophobicContact CD2-CB 4.39Å; L56-L330 HydrophobicContact CB-CD1 4.39Å; L56-L330 HydrophobicContact CB-CD2 3.61Å; L56-L330 HydrophobicContact CB-CG 3.71Å; L56-L330 HydrophobicContact CD1-CD2 3.93Å; L56-L330 HydrophobicContact CD1-CG 4.03Å; L56-L330 HydrophobicContact CG-CD2 4.44Å; L56-L330 HydrophobicContact CG-CG 4.43Å; L56-L333 HydrophobicContact CD1-CB 4.41Å; L56-L333 HydrophobicContact CD1-CD2 4.11Å; L56-L392 HydrophobicContact CD2-CD1 4.28Å
57W98.6Very high96.7Very high57 Ų5739.8 Ų39.822%0.21621%0.208CC..Hα-helixtrans-64.7-36.8173.4-81.1112.8000112R53 F55 V59 V60 E61 L330 K361 T362R53-W57 PolarHBondContact O-N 2.84Å; F55-W57 PolarHBondContact O-N 3.11Å; W57-V59 VanDerWaalsContact C-N 3.3Å; W57-V59 PolarHBondContact O-N 3.39Å; W57-V60 HydrophobicContact CE3-CB 4.32Å; W57-V60 HydrophobicContact CE3-CG1 4.36Å; W57-V60 HydrophobicContact CZ3-CG1 4.3Å; W57-V60 PolarHBondContact O-N 2.94Å; W57-E61 WeakPolarHBondContact O-CG 3.41Å; W57-E61 PolarHBondContact O-N 2.75Å; W57-L330 HydrophobicContact CD2-CD1 4.03Å; W57-L330 HydrophobicContact CD2-CD2 4.42Å; W57-L330 HydrophobicContact CE3-CD1 4.29Å; W57-L330 HydrophobicContact CG-CD2 4.29Å; W57-L330 HydrophobicContact CH2-CD1 4.19Å; W57-L330 HydrophobicContact CZ2-CD1 3.94Å; W57-L330 HydrophobicContact CZ3-CD1 4.37Å; W57-K361 HydrophobicContact CH2-CB 3.73Å; W57-K361 HydrophobicContact CH2-CD 4.38Å; W57-K361 HydrophobicContact CZ3-CB 4.4Å; W57-T362 HydrophobicContact CH2-CG2 3.94Å; W57-T362 HydrophobicContact CZ3-CG2 3.92Å
58G98.4Very high96.8Very high19 Ų1938.4 Ų38.420%0.19620%0.202CC..Hα-helixtrans-60.8-37173.600000112.8S54 F55 L56 K62S54-G58 WeakPolarHBondContact O-CA 3.32Å; S54-G58 PolarHBondContact O-N 3.43Å; F55-G58 CarbonylContact O-C 3.37Å; F55-G58 WeakPolarHBondContact O-CA 3.39Å; F55-G58 PolarHBondContact O-N 3.08Å; F55-G58 VanDerWaalsContact O-N 3.13Å; L56-G58 VanDerWaalsContact C-N 3.3Å; L56-G58 PolarHBondContact O-N 2.87Å; G58-K62 WeakPolarHBondContact O-CB 3.36Å; G58-K62 WeakPolarHBondContact O-CG 3.39Å; G58-K62 PolarHBondContact O-N 2.86Å
59V98.4Very high96.9Very high0 Ų042.2 Ų42.20%022%0.216CC..Hα-helixtrans-64.5-49.7174.1173.20000109.9F55 L56 W57 E61 K62 C63 T322 A326 T449 L452F55-V59 HydrophobicContact CD2-CG2 4.34Å; F55-V59 HydrophobicContact CE1-CG2 4.34Å; F55-V59 HydrophobicContact CE2-CG2 3.85Å; F55-V59 HydrophobicContact CZ-CG2 3.87Å; F55-V59 WeakPolarHBondContact O-CG2 3.31Å; F55-V59 PolarHBondContact O-N 3.02Å; L56-V59 PolarHBondContact O-N 3.48Å; W57-V59 VanDerWaalsContact C-N 3.3Å; W57-V59 PolarHBondContact O-N 3.39Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 3.41Å; V59-K62 PolarHBondContact O-N 2.82Å; V59-C63 VanDerWaalsContact O-CB 3.32Å; V59-C63 WeakPolarHBondContact O-CB 3.17Å; V59-C63 PolarHBondContact O-N 2.97Å; V59-C63 PolarHBondContact O-SG 2.64Å; V59-T322 HydrophobicContact CG1-CG2 3.65Å; V59-A326 HydrophobicContact CB-CB 4.24Å; V59-A326 HydrophobicContact CG1-CB 3.95Å; V59-T449 HydrophobicContact CG2-CG2 3.72Å; V59-L452 HydrophobicContact CG1-CD1 4.39Å; V59-L452 HydrophobicContact CG2-CD1 3.72Å
60V98.3Very high96.8Very high1 Ų141.8 Ų41.81%0.00621%0.214CC..Hα-helixtrans-56.1-48.9178.2174.20000110.9L56 W57 R64 A326 L330 T362L56-V60 WeakPolarHBondContact O-CG2 3.42Å; L56-V60 PolarHBondContact O-N 3.23Å; L56-V60 VanDerWaalsContact O-N 3.14Å; W57-V60 HydrophobicContact CE3-CB 4.32Å; W57-V60 HydrophobicContact CE3-CG1 4.36Å; W57-V60 HydrophobicContact CZ3-CG1 4.3Å; W57-V60 PolarHBondContact O-N 2.94Å; V60-R64 WeakPolarHBondContact O-CB 3.43Å; V60-R64 PolarHBondContact O-N 3.47Å; V60-A326 HydrophobicContact CG2-CB 3.89Å; V60-L330 HydrophobicContact CG2-CD1 4.3Å; V60-T362 HydrophobicContact CG1-CG2 4.26Å; V60-T362 HydrophobicContact CG2-CG2 3.85Å
61E97.6Very high96.6Very high105 Ų10538 Ų3849%0.49119%0.194SC..Hα-helixtrans-66.9-44.1-179.1-70.8-52.9143.900113.1W57 V59 C63 R64W57-E61 WeakPolarHBondContact O-CG 3.41Å; W57-E61 PolarHBondContact O-N 2.75Å; V59-E61 VanDerWaalsContact C-N 3.34Å; V59-E61 PolarHBondContact O-N 3.41Å; E61-C63 VanDerWaalsContact C-N 3.33Å; E61-C63 PolarHBondContact O-N 3.3Å; E61-R64 WeakPolarHBondContact O-CB 3.38Å; E61-R64 PolarHBondContact O-N 3.4Å; E61-R64 IonicContact OE1-CZ 3.38Å; E61-R64 IonicContact OE1-NE 4Å; E61-R64 IonicContact OE1-NH2 2.72Å; E61-R64 PolarHBondContact OE1-NH2 3.4Å; E61-R64 IonicContact OE2-CZ 3.37Å; E61-R64 IonicContact OE2-NE 3.73Å; E61-R64 PolarHBondContact OE2-NE 3.09Å; E61-R64 VanDerWaalsContact OE2-NE 3.09Å; E61-R64 IonicContact OE2-NH2 3.69Å
62K96.8Very high96.4Very high62 Ų6238.5 Ų38.527%0.2720%0.202SC..Hα-helixtrans-71.7-26.3-179.2-71.3-170.3-176.6177.70113.5G58 V59 N446 T449 S453G58-K62 WeakPolarHBondContact O-CB 3.36Å; G58-K62 WeakPolarHBondContact O-CG 3.39Å; G58-K62 PolarHBondContact O-N 2.86Å; V59-K62 PolarHBondContact O-N 2.82Å; K62-N446 PolarHBondContact NZ-O 2.73Å; K62-N446 PolarHBondContact NZ-OD1 2.97Å; K62-T449 WeakPolarHBondContact CE-OG1 3.41Å; K62-T449 PolarHBondContact NZ-OG1 3.07Å; K62-S453 PolarHBondContact O-OG 2.84Å; K62-S453 VanDerWaalsContact O-OG 3.08Å
63C96.1Very high96.2Very high1 Ų139 Ų391%0.00721%0.205CC..Hα-helixtrans-92.1-10.8177.6-65.30000113.2V59 E61 G65 A66 F67 V323V59-C63 VanDerWaalsContact O-CB 3.32Å; V59-C63 WeakPolarHBondContact O-CB 3.17Å; V59-C63 PolarHBondContact O-N 2.97Å; V59-C63 PolarHBondContact O-SG 2.64Å; E61-C63 VanDerWaalsContact C-N 3.33Å; E61-C63 PolarHBondContact O-N 3.3Å; C63-G65 VanDerWaalsContact C-N 3.34Å; C63-G65 PolarHBondContact O-N 3.11Å; C63-A66 PolarHBondContact O-N 2.91Å; C63-F67 WeakPolarHBondContact O-CB 3.34Å; C63-F67 PolarHBondContact O-N 2.71Å; C63-V323 HydrophobicContact CB-CG2 3.74Å
64R94.9Very high96Very high58 Ų5834.4 Ų34.422%0.21919%0.187CC..Hα-helixtrans-49.5-48.2-176.4-173.1176.3-61.7-73.31.3113.7V60 E61 A66 F67 E68V60-R64 WeakPolarHBondContact O-CB 3.43Å; V60-R64 PolarHBondContact O-N 3.47Å; E61-R64 WeakPolarHBondContact O-CB 3.38Å; E61-R64 PolarHBondContact O-N 3.4Å; E61-R64 IonicContact OE1-CZ 3.38Å; E61-R64 IonicContact OE1-NE 4Å; E61-R64 IonicContact OE1-NH2 2.72Å; E61-R64 PolarHBondContact OE1-NH2 3.4Å; E61-R64 IonicContact OE2-CZ 3.37Å; E61-R64 IonicContact OE2-NE 3.73Å; E61-R64 PolarHBondContact OE2-NE 3.09Å; E61-R64 VanDerWaalsContact OE2-NE 3.09Å; E61-R64 IonicContact OE2-NH2 3.69Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.2Å; R64-F67 WeakPolarHBondContact O-CB 3.4Å; R64-F67 PolarHBondContact O-N 3.31Å; R64-E68 WeakPolarHBondContact CG-OE1 3.38Å; R64-E68 WeakPolarHBondContact O-CG 3.41Å; R64-E68 PolarHBondContact O-N 3.01Å
65G93.8Very high95.7Very high43 Ų4333.1 Ų33.144%0.44318%0.175SC..Hα-helixtrans-66.6-31.5-178.900000114.2C63 K69C63-G65 VanDerWaalsContact C-N 3.34Å; C63-G65 PolarHBondContact O-N 3.11Å; G65-K69 WeakPolarHBondContact O-CG 3.4Å
66A94.8Very high95.3Very high9 Ų936.8 Ų36.87%0.07420%0.195CC..Hα-helixtrans-77.4-41.117400000110.8C63 R64 E68 K69 E70 A319 A460C63-A66 PolarHBondContact O-N 2.91Å; R64-A66 VanDerWaalsContact C-N 3.34Å; R64-A66 PolarHBondContact O-N 3.2Å; A66-E68 PolarHBondContact O-N 2.95Å; A66-K69 PolarHBondContact O-N 3.43Å; A66-E70 WeakPolarHBondContact O-CB 3.19Å; A66-E70 WeakPolarHBondContact O-CG 3.44Å; A66-E70 PolarHBondContact O-N 3.24Å; A66-A319 HydrophobicContact CB-CB 3.56Å; A66-A460 HydrophobicContact CB-CB 3.94Å
67F94.8Very high95Very high5 Ų536.9 Ų36.92%0.02220%0.195CC..Hα-helixtrans-55.2-47.2174.3172.3-85.9000112.2C63 R64 K69 E70 L71 A319 I320 V323 M363 I366C63-F67 WeakPolarHBondContact O-CB 3.34Å; C63-F67 PolarHBondContact O-N 2.71Å; R64-F67 WeakPolarHBondContact O-CB 3.4Å; R64-F67 PolarHBondContact O-N 3.31Å; F67-K69 VanDerWaalsContact C-N 3.33Å; F67-K69 PolarHBondContact O-N 3.45Å; F67-E70 PolarHBondContact O-N 3.16Å; F67-L71 HydrophobicContact CE1-CD2 4.01Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.28Å; F67-L71 PolarHBondContact O-N 3.03Å; F67-A319 HydrophobicContact CB-CB 4.36Å; F67-I320 HydrophobicContact CD2-CB 4.37Å; F67-I320 HydrophobicContact CD2-CG1 3.85Å; F67-I320 HydrophobicContact CE2-CB 4.47Å; F67-I320 HydrophobicContact CE2-CG1 4Å; F67-V323 HydrophobicContact CB-CG2 4.15Å; F67-V323 HydrophobicContact CD2-CB 3.86Å; F67-V323 HydrophobicContact CD2-CG1 4.04Å; F67-V323 HydrophobicContact CD2-CG2 4.01Å; F67-V323 HydrophobicContact CE2-CB 4.35Å; F67-V323 HydrophobicContact CE2-CG1 4.2Å; F67-V323 HydrophobicContact CG-CG2 4.34Å; F67-M363 HydrophobicContact CE2-CB 4.44Å; F67-M363 HydrophobicContact CE2-CG 3.77Å; F67-M363 HydrophobicContact CE2-SD 4.13Å; F67-M363 HydrophobicContact CZ-CB 3.92Å; F67-M363 HydrophobicContact CZ-CG 3.75Å; F67-M363 HydrophobicContact CZ-SD 4.47Å; F67-I366 HydrophobicContact CE2-CD1 4.24Å; F67-I366 HydrophobicContact CZ-CD1 3.85Å; F67-I366 HydrophobicContact CZ-CG1 4.35Å
68E93.8Very high94.6Very high93 Ų9335.3 Ų35.344%0.43519%0.193SC..Hα-helixtrans-65.1-36.3-179.4-73.8170.1-177.900112.3R64 A66 A72R64-E68 WeakPolarHBondContact CG-OE1 3.38Å; R64-E68 WeakPolarHBondContact O-CG 3.41Å; R64-E68 PolarHBondContact O-N 3.01Å; A66-E68 PolarHBondContact O-N 2.95Å; E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 3.05Å
69K93.3Very high94.1Very high138 Ų13836 Ų3660%0.620%0.196SC*.Hα-helixtrans-66.9-49.3174.7-71174.7-178.8-174.80111.7G65 A66 F67 L71 A72 V73G65-K69 WeakPolarHBondContact O-CG 3.4Å; A66-K69 PolarHBondContact O-N 3.43Å; F67-K69 VanDerWaalsContact C-N 3.33Å; F67-K69 PolarHBondContact O-N 3.45Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.16Å; K69-A72 WeakPolarHBondContact O-CB 3.13Å; K69-A72 PolarHBondContact O-N 2.75Å; K69-V73 PolarHBondContact O-N 3.47Å; K69-V73 VanDerWaalsContact O-N 3.15Å
70E94.8Very high93.6Very high0 Ų038.1 Ų38.10%021%0.207CC..Hα-helixtrans-60.1-40.3177.5-74.9-178179.100111.4A66 F67 V73 L74 F317 T318 A319 I320 A460 L462A66-E70 WeakPolarHBondContact O-CB 3.19Å; A66-E70 WeakPolarHBondContact O-CG 3.44Å; A66-E70 PolarHBondContact O-N 3.24Å; F67-E70 PolarHBondContact O-N 3.16Å; E70-V73 PolarHBondContact O-N 3.45Å; E70-L74 PolarHBondContact O-N 2.7Å; E70-F317 HydrophobicContact CB-CD1 4Å; E70-F317 HydrophobicContact CG-CD1 4.32Å; E70-F317 WeakPolarHBondContact OE1-CA 3.45Å; E70-F317 WeakPolarHBondContact OE2-CA 3.24Å; E70-T318 PolarHBondContact OE1-N 3.38Å; E70-A319 VanDerWaalsContact CD-CB 3.42Å; E70-A319 HydrophobicContact CG-CB 4.46Å; E70-A319 WeakPolarHBondContact OE1-CB 3.43Å; E70-A319 PolarHBondContact OE1-N 3.29Å; E70-A319 WeakPolarHBondContact OE2-CA 3.46Å; E70-A319 WeakPolarHBondContact OE2-CB 3.4Å; E70-A319 PolarHBondContact OE2-N 2.84Å; E70-I320 HydrophobicContact CB-CD1 3.81Å; E70-I320 HydrophobicContact CB-CG1 3.93Å; E70-I320 PolarHBondContact OE2-N 2.92Å; E70-A460 HydrophobicContact CG-CB 4.19Å; E70-L462 HydrophobicContact CG-CD1 4Å
71L93.9Very high92.9Very high5 Ų539.6 Ų39.63%0.02622%0.217CC..Hα-helixtrans-66.2-40.2176.8-173.866.8000111.8F67 K69 V73 L74 I75 I96 L101 H365 I366F67-L71 HydrophobicContact CE1-CD2 4.01Å; F67-L71 HydrophobicContact CZ-CD2 4.36Å; F67-L71 VanDerWaalsContact O-CB 3.27Å; F67-L71 WeakPolarHBondContact O-CB 3.28Å; F67-L71 PolarHBondContact O-N 3.03Å; K69-L71 VanDerWaalsContact C-N 3.27Å; K69-L71 PolarHBondContact O-N 3.16Å; L71-V73 VanDerWaalsContact C-N 3.29Å; L71-V73 PolarHBondContact O-N 3.34Å; L71-L74 PolarHBondContact O-N 3.28Å; L71-L74 VanDerWaalsContact O-N 3.15Å; L71-I75 HydrophobicContact CG-CD1 4.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.22Å; L71-I75 PolarHBondContact O-N 2.83Å; L71-I96 HydrophobicContact CD1-CD1 3.86Å; L71-L101 HydrophobicContact CD1-CD2 4.41Å; L71-H365 HydrophobicContact CD2-CB 3.56Å; L71-I366 HydrophobicContact CD1-CG1 4.37Å
72A93.3Very high91.9Very high48 Ų4837.6 Ų37.640%0.39721%0.214SC..Hα-helixtrans-59.3-40.3175.400000111.9E68 K69 L74 I75 D76E68-A72 WeakPolarHBondContact O-CB 3.4Å; E68-A72 PolarHBondContact O-N 3.05Å; K69-A72 WeakPolarHBondContact O-CB 3.13Å; K69-A72 PolarHBondContact O-N 2.75Å; A72-L74 PolarHBondContact O-N 3.01Å; A72-I75 WeakPolarHBondContact O-CB 3.38Å; A72-I75 PolarHBondContact O-N 3.2Å; A72-D76 PolarHBondContact O-N 3.09Å
73V93.8Very high90.3Very high11 Ų1141.6 Ų41.67%0.06723%0.234CC..Hα-helixtrans-61-44.1174172.30000111.4K69 E70 L71 I75 D76 V77 Y108 F317 L462K69-V73 PolarHBondContact O-N 3.47Å; K69-V73 VanDerWaalsContact O-N 3.15Å; E70-V73 PolarHBondContact O-N 3.45Å; L71-V73 VanDerWaalsContact C-N 3.29Å; L71-V73 PolarHBondContact O-N 3.34Å; V73-I75 VanDerWaalsContact C-N 3.27Å; V73-I75 PolarHBondContact O-N 2.91Å; V73-D76 PolarHBondContact O-N 2.95Å; V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 3.45Å; V73-Y108 HydrophobicContact CG1-CD2 3.53Å; V73-Y108 HydrophobicContact CG1-CE2 3.41Å; V73-Y108 VanDerWaalsContact CG1-CE2 3.41Å; V73-F317 HydrophobicContact CB-CE1 4.48Å; V73-F317 HydrophobicContact CG1-CE1 4.25Å; V73-F317 HydrophobicContact CG1-CZ 4.27Å; V73-L462 HydrophobicContact CG2-CB 3.99Å
74L94.1Very high88.5Confident0 Ų048.7 Ų48.70%027%0.267CS..Hα-helixtrans-66.1-31.3176.6-64.2-175.9000112.6E70 L71 A72 V77 S78 I96 L101 L104 M105 F317 I320E70-L74 PolarHBondContact O-N 2.7Å; L71-L74 PolarHBondContact O-N 3.28Å; L71-L74 VanDerWaalsContact O-N 3.15Å; A72-L74 PolarHBondContact O-N 3.01Å; L74-V77 PolarHBondContact O-N 2.79Å; L74-S78 WeakPolarHBondContact O-CB 3.43Å; L74-S78 PolarHBondContact O-N 2.87Å; L74-I96 HydrophobicContact CB-CD1 3.42Å; L74-I96 VanDerWaalsContact CB-CD1 3.42Å; L74-L101 HydrophobicContact CD1-CD2 3.98Å; L74-L104 HydrophobicContact CB-CB 4.49Å; L74-L104 HydrophobicContact CD2-CB 3.88Å; L74-M105 HydrophobicContact CD1-CG 3.86Å; L74-M105 HydrophobicContact CD2-CG 3.9Å; L74-F317 HydrophobicContact CD1-CD1 4.34Å; L74-F317 HydrophobicContact CD1-CE1 4.33Å; L74-F317 HydrophobicContact CD2-CD1 4.09Å; L74-F317 HydrophobicContact CD2-CE1 3.38Å; L74-F317 HydrophobicContact CD2-CE2 4.17Å; L74-F317 HydrophobicContact CD2-CZ 3.42Å; L74-F317 VanDerWaalsContact CD2-CZ 3.42Å; L74-F317 HydrophobicContact CG-CD1 4.11Å; L74-F317 HydrophobicContact CG-CE1 3.62Å; L74-F317 HydrophobicContact CG-CZ 4.2Å; L74-I320 HydrophobicContact CD1-CD1 3.59Å; L74-I320 HydrophobicContact CG-CD1 4.4Å
75I92.3Very high86.6Confident41 Ų4152.5 Ų52.521%0.2129%0.291CS..Hα-helixtrans-65.6-43.8176.3-73.6172.5000109.7L71 A72 V73 S78 A79 S94 I96L71-I75 HydrophobicContact CG-CD1 4.27Å; L71-I75 WeakPolarHBondContact O-CG1 3.22Å; L71-I75 PolarHBondContact O-N 2.83Å; A72-I75 WeakPolarHBondContact O-CB 3.38Å; A72-I75 PolarHBondContact O-N 3.2Å; V73-I75 VanDerWaalsContact C-N 3.27Å; V73-I75 PolarHBondContact O-N 2.91Å; I75-S78 PolarHBondContact O-N 2.87Å; I75-A79 PolarHBondContact O-N 2.86Å; I75-S94 WeakPolarHBondContact CG1-O 3.47Å; I75-S94 WeakPolarHBondContact CG2-OG 3.38Å; I75-I96 HydrophobicContact CB-CD1 4.44Å; I75-I96 HydrophobicContact CG1-CD1 3.66Å; I75-I96 HydrophobicContact CG1-CG1 3.83Å
76D91.2Very high84.4Confident77 Ų7755.4 Ų55.441%0.41230%0.297SS..Hα-helixtrans-63.7-42.6176.5-72.5-15.9000111.6A72 V73 A79 Q80A72-D76 PolarHBondContact O-N 3.09Å; V73-D76 PolarHBondContact O-N 2.95Å; D76-A79 PolarHBondContact O-N 2.94Å; D76-Q80 WeakPolarHBondContact O-CG 3.13Å; D76-Q80 PolarHBondContact O-N 3.1Å; D76-Q80 VanDerWaalsContact O-N 3.13Å; D76-Q80 PolarHBondContact O-NE2 3.38Å
77V91.9Very high82.4Confident1 Ų163.4 Ų63.41%0.00634%0.339CS..Hα-helixtrans-59.8-46.4174.1170.80000110.9V73 L74 A79 Q80 C81 L104 L107 Y108 V467V73-V77 WeakPolarHBondContact O-CG2 3.38Å; V73-V77 PolarHBondContact O-N 3.45Å; L74-V77 PolarHBondContact O-N 2.79Å; V77-A79 VanDerWaalsContact C-N 3.33Å; V77-A79 PolarHBondContact O-N 3.03Å; V77-Q80 PolarHBondContact O-N 3.3Å; V77-C81 PolarHBondContact O-N 2.77Å; V77-C81 PolarHBondContact O-SG 3.38Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; V77-L104 HydrophobicContact CG1-CD2 4Å; V77-L107 HydrophobicContact CG1-CB 4.29Å; V77-Y108 HydrophobicContact CG2-CD2 4.18Å; V77-V467 HydrophobicContact CB-CG2 4.46Å; V77-V467 HydrophobicContact CG1-CG2 3.89Å; V77-V467 HydrophobicContact CG2-CG2 4.01Å
78S90.9Very high80Confident25 Ų2569.6 Ų69.618%0.17537%0.372CS..Hα-helixtrans-61.3-39.6178.1-177.80000112.7L74 I75 C81 S82L74-S78 WeakPolarHBondContact O-CB 3.43Å; L74-S78 PolarHBondContact O-N 2.87Å; I75-S78 PolarHBondContact O-N 2.87Å; S78-C81 PolarHBondContact O-N 3.19Å; S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.29Å
79A88.1Confident77.8Confident32 Ų3268.7 Ų68.726%0.26439%0.388SS..Hα-helixtrans-64.2-39.5177.200000112.1I75 D76 V77 S82 Q83I75-A79 PolarHBondContact O-N 2.86Å; D76-A79 PolarHBondContact O-N 2.94Å; V77-A79 VanDerWaalsContact C-N 3.33Å; V77-A79 PolarHBondContact O-N 3.03Å; A79-S82 PolarHBondContact O-N 3.39Å; A79-Q83 WeakPolarHBondContact O-CG 3.36Å; A79-Q83 PolarHBondContact O-N 3.5Å
80Q87.2Confident75.7Confident46 Ų4669.3 Ų69.322%0.21540%0.398CS..Hα-helixtrans-64.6-43177-68.817451.400112.2D76 V77 S82 Q83 Q84 V465 T466D76-Q80 WeakPolarHBondContact O-CG 3.13Å; D76-Q80 PolarHBondContact O-N 3.1Å; D76-Q80 VanDerWaalsContact O-N 3.13Å; D76-Q80 PolarHBondContact O-NE2 3.38Å; V77-Q80 PolarHBondContact O-N 3.3Å; Q80-S82 VanDerWaalsContact C-N 3.31Å; Q80-S82 PolarHBondContact O-N 3.29Å; Q80-Q83 PolarHBondContact O-N 2.9Å; Q80-Q84 PolarHBondContact O-N 2.9Å; Q80-V465 PolarHBondContact NE2-O 3.06Å; Q80-V465 PolarHBondContact OE1-O 3.33Å; Q80-T466 VanDerWaalsContact OE1-CA 3.28Å
81C84.2Confident73.6Confident32 Ų3277.5 Ų77.522%0.21644%0.441CS..Hα-helixtrans-60.5-42.2174.1-60.50000111.5V77 S78 Q83 Q84 D85V77-C81 PolarHBondContact O-N 2.77Å; V77-C81 PolarHBondContact O-SG 3.38Å; V77-C81 VanDerWaalsContact O-SG 3.37Å; S78-C81 PolarHBondContact O-N 3.19Å; C81-Q83 VanDerWaalsContact C-N 3.35Å; C81-Q83 PolarHBondContact O-N 3.3Å; C81-Q84 PolarHBondContact O-N 3.25Å; C81-D85 PolarHBondContact O-N 2.99Å
82S76.1Confident71.5Confident63 Ų6385.4 Ų85.444%0.44148%0.478SS..Hα-helixtrans-68.6-31.5-178.7-57.80000113.3S78 A79 Q80 D85 N86S78-S82 PolarHBondContact O-N 2.97Å; S78-S82 PolarHBondContact O-OG 3.29Å; A79-S82 PolarHBondContact O-N 3.39Å; Q80-S82 VanDerWaalsContact C-N 3.31Å; Q80-S82 PolarHBondContact O-N 3.29Å; S82-D85 PolarHBondContact O-N 2.83Å; S82-N86 PolarHBondContact O-N 3.2Å
83Q64.1Low69.5Low146 Ų14690.7 Ų90.768%0.68250%0.498SS*.Hα-helixtrans-71.2-28.4175.3-7417714.300112.8A79 Q80 C81 D85A79-Q83 WeakPolarHBondContact O-CG 3.36Å; A79-Q83 PolarHBondContact O-N 3.5Å; Q80-Q83 PolarHBondContact O-N 2.9Å; C81-Q83 VanDerWaalsContact C-N 3.35Å; C81-Q83 PolarHBondContact O-N 3.3Å; Q83-D85 VanDerWaalsContact C-N 3.32Å
84Q57.4Low68Low149 Ų14992.6 Ų92.670%0.69651%0.512SS*.Hα-helixtrans-70.5-29.5172.2-71.2-179.9-8.400112Q80 C81Q80-Q84 PolarHBondContact O-N 2.9Å; C81-Q84 PolarHBondContact O-N 3.25Å
85D55.8Low67Low138 Ų13895.4 Ų95.474%0.73853%0.529SS*.Hα-helixtrans-92.5-20.1-177.7-77.8-25.5000114.7C81 S82 Q83C81-D85 PolarHBondContact O-N 2.99Å; S82-D85 PolarHBondContact O-N 2.83Å; Q83-D85 VanDerWaalsContact C-N 3.32Å
86N47.8Very low66.9Low105 Ų10593.5 Ų93.556%0.56152%0.519SS*.  trans-137.3111.3-175.2-83-48.7000115S82 N88S82-N86 PolarHBondContact O-N 3.2Å; N86-N88 PolarHBondContact O-N 3.49Å; N86-N88 VanDerWaalsContact O-N 3.12Å
87N51.1Low66.8Low177 Ų17790.5 Ų90.595%0.94751%0.505SS*.SBendtrans-68.314.4155.7-105.6-18.8000113.7
88N45.8Very low66.8Low134 Ų13491.5 Ų91.572%0.71751%0.51SS*.SBendtrans-121.799.5-177.5-82.5-15.9000110.5N86 N90N86-N88 PolarHBondContact O-N 3.49Å; N86-N88 VanDerWaalsContact O-N 3.12Å; N88-N90 PolarHBondContact O-N 3.48Å
89G47.7Very low66.7Low75 Ų7594 Ų9477%0.77352%0.518SS*.  trans-71.8102.9-176.300000114
90N47.6Very low66.9Low151 Ų15195 Ų9581%0.80752%0.519SS*.  trans-121.9101.4154.4-87.5-6.2000108.8N88 E92N88-N90 PolarHBondContact O-N 3.48Å; N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 VanDerWaalsContact O-N 3.13Å
91N50.6Low67.2Low171 Ų17193.2 Ų93.291%0.91451%0.511SS*.  trans-78.976.8168.8-84.7-10.4000109.5
92E51.3Low67.6Low172 Ų17294 Ų9480%0.80453%0.525SS*.  trans-89.6147.2157.2-78.7-172.8162.100109.4N90 S94N90-E92 VanDerWaalsContact C-N 3.3Å; N90-E92 PolarHBondContact O-N 3.06Å; N90-E92 VanDerWaalsContact O-N 3.13Å; E92-S94 PolarHBondContact O-N 3.05Å
93I51.1Low68.4Low159 Ų15996.7 Ų96.782%0.81553%0.529SS*.  trans-48.9116.3-179.8-66.8163.1000108.9T95I93-T95 VanDerWaalsContact C-N 3.28Å; I93-T95 PolarHBondContact O-N 2.99Å
94S62.2Low69.9Low50 Ų5090 Ų9035%0.3550%0.498SS..  trans-7279.3-174.532.70000110.8I75 E92I75-S94 WeakPolarHBondContact CG1-O 3.47Å; I75-S94 WeakPolarHBondContact CG2-OG 3.38Å; E92-S94 PolarHBondContact O-N 3.05Å
95T73.4Confident71.7Confident59 Ų5983.5 Ų83.536%0.36247%0.468SS..PPolyproline II helixtrans-68.1139.516448.90000110.1I93 Q367I93-T95 VanDerWaalsContact C-N 3.28Å; I93-T95 PolarHBondContact O-N 2.99Å; T95-Q367 VanDerWaalsContact CB-CD 3.5Å; T95-Q367 HydrophobicContact CG2-CG 4.19Å; T95-Q367 PolarHBondContact OG1-NE2 3.5Å; T95-Q367 PolarHBondContact OG1-OE1 3.22Å
96I89.1Confident73.4Confident2 Ų281.5 Ų81.51%0.0145%0.454CS..EExtended strand (participates in β ladder)trans-96.4132.5176.4-61.3-177.6000109.1L71 L74 I75 D100 L101 L104 I366 Q367L71-I96 HydrophobicContact CD1-CD1 3.86Å; L74-I96 HydrophobicContact CB-CD1 3.42Å; L74-I96 VanDerWaalsContact CB-CD1 3.42Å; I75-I96 HydrophobicContact CB-CD1 4.44Å; I75-I96 HydrophobicContact CG1-CD1 3.66Å; I75-I96 HydrophobicContact CG1-CG1 3.83Å; I96-D100 HydrophobicContact CG2-CB 3.98Å; I96-L101 HydrophobicContact CG2-CD2 3.92Å; I96-L101 HydrophobicContact CG2-CG 4.36Å; I96-L104 HydrophobicContact CD1-CD1 3.94Å; I96-L104 HydrophobicContact CG1-CD1 4.33Å; I96-L104 HydrophobicContact CG2-CD1 3.8Å; I96-I366 CarbonylContact O-C 3.58Å; I96-I366 WeakPolarHBondContact O-CA 3.46Å; I96-Q367 PolarHBondContact O-N 2.95Å
97A90.4Very high75.6Confident14 Ų1478.3 Ų78.312%0.11644%0.437CS..EExtended strand (participates in β ladder)trans-75.9146.917200000110.8H99 D100 Q367A97-H99 WeakPolarHBondContact CB-CE1 3.18Å; A97-H99 PolarHBondContact O-N 2.88Å; A97-D100 WeakPolarHBondContact CB-OD2 3.43Å; A97-D100 WeakPolarHBondContact O-CB 3.06Å; A97-D100 PolarHBondContact O-N 3.23Å; A97-Q367 CarbonylContact C-O 3.6Å; A97-Q367 WeakPolarHBondContact CA-O 3.24Å
98E90.6Very high77.6Confident21 Ų2170.2 Ų70.210%0.09839%0.393CS..THydrogen-bonded Turntrans-54.5-29.6-179.463.1179.3178.600113.8Y3 D100 I366 Q367 R368 S372Y3-E98 HydrophobicContact CE1-CG 3.91Å; Y3-E98 WeakPolarHBondContact CE1-OE1 3.41Å; Y3-E98 PolarHBondContact OH-OE1 3.48Å; Y3-E98 PolarHBondContact OH-OE2 3.44Å; E98-D100 VanDerWaalsContact C-N 3.33Å; E98-I366 HydrophobicContact CB-CG2 3.81Å; E98-Q367 PolarHBondContact N-O 3.48Å; E98-R368 HydrophobicContact CB-CG 4.33Å; E98-R368 HydrophobicContact CG-CG 4.24Å; E98-R368 VanDerWaalsContact OE2-CD 3.24Å; E98-R368 WeakPolarHBondContact OE2-CD 3.32Å; E98-R368 VanDerWaalsContact OE2-CG 3.29Å; E98-R368 WeakPolarHBondContact OE2-CG 3.41Å; E98-R368 IonicContact OE2-NE 3.66Å; E98-R368 PolarHBondContact OE2-NE 2.76Å; E98-S372 PolarHBondContact OE1-OG 2.83Å
99H89.6Confident79.9Confident77 Ų7766.2 Ų66.236%0.35637%0.368SS..THydrogen-bonded Turntrans-80.7-12179.757-97000114.2Y3 A97Y3-H99 HydrophobicContact CD1-CB 3.82Å; Y3-H99 HydrophobicContact CD2-CB 3.61Å; Y3-H99 HydrophobicContact CE1-CB 4.35Å; Y3-H99 HydrophobicContact CE2-CB 4.15Å; Y3-H99 HydrophobicContact CG-CB 3.43Å; Y3-H99 VanDerWaalsContact CG-CB 3.43Å; A97-H99 WeakPolarHBondContact CB-CE1 3.18Å; A97-H99 PolarHBondContact O-N 2.88Å
100D91.9Very high82Confident54 Ų5466 Ų6629%0.28935%0.346SS..THydrogen-bonded Turntrans-90.6-21.9179-62.9-32.3000112.2I96 A97 E98 G102 F103 L104I96-D100 HydrophobicContact CG2-CB 3.98Å; A97-D100 WeakPolarHBondContact CB-OD2 3.43Å; A97-D100 WeakPolarHBondContact O-CB 3.06Å; A97-D100 PolarHBondContact O-N 3.23Å; E98-D100 VanDerWaalsContact C-N 3.33Å; D100-G102 PolarHBondContact O-N 2.91Å; D100-F103 PolarHBondContact O-N 3.06Å; D100-F103 VanDerWaalsContact O-N 3.1Å; D100-L104 HydrophobicContact CB-CD1 3.91Å; D100-L104 HydrophobicContact CB-CG 4.26Å; D100-L104 VanDerWaalsContact O-CG 3.31Å; D100-L104 WeakPolarHBondContact O-CG 3.26Å; D100-L104 PolarHBondContact O-N 3.45Å
101L93Very high84Confident8 Ų861.1 Ų61.14%0.04232%0.324CS..Hα-helixtrans-50.1-56.8-175-67.3168.3000112.6L71 L74 I96 F103 L104 M105 I366L71-L101 HydrophobicContact CD1-CD2 4.41Å; L74-L101 HydrophobicContact CD1-CD2 3.98Å; I96-L101 HydrophobicContact CG2-CD2 3.92Å; I96-L101 HydrophobicContact CG2-CG 4.36Å; L101-F103 VanDerWaalsContact C-N 3.28Å; L101-F103 PolarHBondContact O-N 2.98Å; L101-L104 PolarHBondContact O-N 2.92Å; L101-M105 WeakPolarHBondContact O-CB 3.45Å; L101-M105 WeakPolarHBondContact O-CG 3.34Å; L101-M105 PolarHBondContact O-N 3.29Å; L101-I366 HydrophobicContact CD1-CD1 3.81Å; L101-I366 HydrophobicContact CD1-CG2 4.23Å; L101-I366 HydrophobicContact CD2-CD1 4.05Å
102G92.9Very high86Confident50 Ų5054.6 Ų54.652%0.51529%0.294SS..Hα-helixtrans-63.6-34.1-177.400000113.1D100 H106D100-G102 PolarHBondContact O-N 2.91Å; G102-H106 WeakPolarHBondContact O-CB 3.38Å; G102-H106 PolarHBondContact O-N 2.76Å; G102-H106 VanDerWaalsContact O-N 3.12Å
103F93.8Very high87.9Confident118 Ų11848.5 Ų48.552%0.51826%0.264SS..Hα-helixtrans-69.6-48.7176.7174.3-106.7000111.6D100 L101 M105 H106 L107D100-F103 PolarHBondContact O-N 3.06Å; D100-F103 VanDerWaalsContact O-N 3.1Å; L101-F103 VanDerWaalsContact C-N 3.28Å; L101-F103 PolarHBondContact O-N 2.98Å; F103-M105 PolarHBondContact O-N 3.22Å; F103-H106 WeakPolarHBondContact O-CB 3.28Å; F103-H106 PolarHBondContact O-N 3.5Å; F103-H106 VanDerWaalsContact O-N 3.15Å; F103-L107 HydrophobicContact CD1-CD1 4.05Å; F103-L107 HydrophobicContact CE1-CD1 3.38Å; F103-L107 HydrophobicContact CE1-CG 4.1Å; F103-L107 HydrophobicContact CE2-CD1 4.29Å; F103-L107 HydrophobicContact CE2-CD2 4.34Å; F103-L107 HydrophobicContact CE2-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 3.53Å; F103-L107 HydrophobicContact CZ-CD2 4.17Å; F103-L107 HydrophobicContact CZ-CG 3.93Å; F103-L107 PolarHBondContact O-N 3.23Å
104L94.8Very high89.7Confident6 Ų644.7 Ų44.73%0.03125%0.245CC..Hα-helixtrans-65-39.3179.3-63.5170.9000111.7L74 V77 I96 D100 L101 H106 L107 Y108L74-L104 HydrophobicContact CB-CB 4.49Å; L74-L104 HydrophobicContact CD2-CB 3.88Å; V77-L104 HydrophobicContact CG1-CD2 4Å; I96-L104 HydrophobicContact CD1-CD1 3.94Å; I96-L104 HydrophobicContact CG1-CD1 4.33Å; I96-L104 HydrophobicContact CG2-CD1 3.8Å; D100-L104 HydrophobicContact CB-CD1 3.91Å; D100-L104 HydrophobicContact CB-CG 4.26Å; D100-L104 VanDerWaalsContact O-CG 3.31Å; D100-L104 WeakPolarHBondContact O-CG 3.26Å; D100-L104 PolarHBondContact O-N 3.45Å; L101-L104 PolarHBondContact O-N 2.92Å; L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 3.38Å; L104-L107 PolarHBondContact O-N 2.95Å; L104-Y108 PolarHBondContact O-N 3.41Å
105M94.6Very high90.9Very high12 Ų1243.4 Ų43.46%0.05924%0.235CC..Hα-helixtrans-60.3-40.6172.7-70.7166.463.300111.5L74 L101 F103 R109 F317 E321L74-M105 HydrophobicContact CD1-CG 3.86Å; L74-M105 HydrophobicContact CD2-CG 3.9Å; L101-M105 WeakPolarHBondContact O-CB 3.45Å; L101-M105 WeakPolarHBondContact O-CG 3.34Å; L101-M105 PolarHBondContact O-N 3.29Å; F103-M105 PolarHBondContact O-N 3.22Å; M105-R109 WeakPolarHBondContact O-CB 3.33Å; M105-R109 WeakPolarHBondContact O-CD 3.34Å; M105-R109 WeakPolarHBondContact O-CG 3.49Å; M105-R109 PolarHBondContact O-N 3.21Å; M105-F317 HydrophobicContact CB-CD2 3.87Å; M105-F317 HydrophobicContact CB-CE2 4.08Å; M105-F317 HydrophobicContact CB-CG 4.45Å; M105-F317 HydrophobicContact CE-CB 3.44Å; M105-F317 VanDerWaalsContact CE-CB 3.44Å; M105-F317 HydrophobicContact CE-CD2 4.16Å; M105-F317 HydrophobicContact CE-CG 4.06Å; M105-F317 HydrophobicContact CG-CB 4.1Å; M105-F317 HydrophobicContact CG-CD1 4.23Å; M105-F317 HydrophobicContact CG-CD2 3.64Å; M105-F317 HydrophobicContact CG-CE2 4.07Å; M105-F317 HydrophobicContact CG-CG 3.72Å; M105-F317 HydrophobicContact SD-CB 4.13Å; M105-F317 HydrophobicContact SD-CG 4.41Å; M105-E321 HydrophobicContact CE-CG 3.99Å; M105-E321 WeakPolarHBondContact CE-OE1 3.49Å
106H93Very high91.6Very high97 Ų9743.5 Ų43.545%0.44924%0.241SC..Hα-helixtrans-66.2-45.7176.1176.457.6000112.1G102 F103 L104 Y108 R109 E110G102-H106 WeakPolarHBondContact O-CB 3.38Å; G102-H106 PolarHBondContact O-N 2.76Å; G102-H106 VanDerWaalsContact O-N 3.12Å; F103-H106 WeakPolarHBondContact O-CB 3.28Å; F103-H106 PolarHBondContact O-N 3.5Å; F103-H106 VanDerWaalsContact O-N 3.15Å; L104-H106 VanDerWaalsContact C-N 3.3Å; L104-H106 PolarHBondContact O-N 3.38Å; H106-Y108 VanDerWaalsContact C-N 3.34Å; H106-Y108 PolarHBondContact O-N 3.23Å; H106-R109 PolarHBondContact O-N 3.48Å; H106-R109 VanDerWaalsContact O-N 3.12Å; H106-E110 IonicContact CE1-OE1 3.68Å; H106-E110 PolarHBondContact O-N 3.18Å
107L93.3Very high91.7Very high37 Ų3747.9 Ų47.919%0.19426%0.262CS..Hα-helixtrans-58.7-44.9176.1-73.5-176.9000112.4V77 F103 L104 R109 E110 S111 V467V77-L107 HydrophobicContact CG1-CB 4.29Å; F103-L107 HydrophobicContact CD1-CD1 4.05Å; F103-L107 HydrophobicContact CE1-CD1 3.38Å; F103-L107 HydrophobicContact CE1-CG 4.1Å; F103-L107 HydrophobicContact CE2-CD1 4.29Å; F103-L107 HydrophobicContact CE2-CD2 4.34Å; F103-L107 HydrophobicContact CE2-CG 4.21Å; F103-L107 HydrophobicContact CZ-CD1 3.53Å; F103-L107 HydrophobicContact CZ-CD2 4.17Å; F103-L107 HydrophobicContact CZ-CG 3.93Å; F103-L107 PolarHBondContact O-N 3.23Å; L104-L107 PolarHBondContact O-N 2.95Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 3.12Å; L107-E110 PolarHBondContact O-N 2.93Å; L107-S111 PolarHBondContact O-N 2.93Å; L107-V467 HydrophobicContact CB-CG1 4.01Å; L107-V467 HydrophobicContact CD1-CG1 4.32Å; L107-V467 HydrophobicContact CD2-CG1 4.43Å
108Y94.1Very high91.8Very high8 Ų847.9 Ų47.93%0.03126%0.26CS..Hα-helixtrans-56.8-49.1173.2177-86.5000110.9V73 V77 L104 H106 E110 S111 A112 Y113 F317 L462 D463 V465V73-Y108 HydrophobicContact CG1-CD2 3.53Å; V73-Y108 HydrophobicContact CG1-CE2 3.41Å; V73-Y108 VanDerWaalsContact CG1-CE2 3.41Å; V77-Y108 HydrophobicContact CG2-CD2 4.18Å; L104-Y108 PolarHBondContact O-N 3.41Å; H106-Y108 VanDerWaalsContact C-N 3.34Å; H106-Y108 PolarHBondContact O-N 3.23Å; Y108-E110 VanDerWaalsContact C-N 3.32Å; Y108-E110 PolarHBondContact O-N 2.86Å; Y108-S111 PolarHBondContact O-N 2.98Å; Y108-A112 HydrophobicContact CD1-CB 4.02Å; Y108-A112 HydrophobicContact CE1-CB 3.63Å; Y108-A112 HydrophobicContact CE2-CB 4.26Å; Y108-A112 HydrophobicContact CG-CB 4.49Å; Y108-A112 WeakPolarHBondContact O-CB 3.47Å; Y108-A112 PolarHBondContact O-N 3.47Å; Y108-Y113 HydrophobicContact CD1-CE2 4.26Å; Y108-Y113 AromaticContact CE1-CE2 3.75Å; Y108-Y113 HydrophobicContact CE1-CE2 3.75Å; Y108-F317 AromaticContact CD1-CE2 3.37Å; Y108-F317 HydrophobicContact CD1-CE2 3.37Å; Y108-F317 AromaticContact CD1-CZ 3.55Å; Y108-F317 HydrophobicContact CD1-CZ 3.55Å; Y108-F317 AromaticContact CD2-CZ 3.96Å; Y108-F317 HydrophobicContact CD2-CZ 3.96Å; Y108-F317 HydrophobicContact CE1-CE2 4.11Å; Y108-F317 HydrophobicContact CE1-CZ 4.15Å; Y108-F317 AromaticContact CG-CE2 3.66Å; Y108-F317 HydrophobicContact CG-CE2 3.66Å; Y108-F317 AromaticContact CG-CZ 3.45Å; Y108-F317 HydrophobicContact CG-CZ 3.45Å; Y108-F317 VanDerWaalsContact CG-CZ 3.45Å; Y108-L462 HydrophobicContact CE1-CD2 3.95Å; Y108-L462 WeakPolarHBondContact OH-CD2 3.37Å; Y108-D463 WeakPolarHBondContact CE2-O 3.46Å; Y108-V465 HydrophobicContact CD2-CG2 3.45Å; Y108-V465 VanDerWaalsContact CD2-CG2 3.45Å; Y108-V465 HydrophobicContact CE2-CB 4.39Å; Y108-V465 HydrophobicContact CE2-CG1 3.88Å; Y108-V465 HydrophobicContact CE2-CG2 3.67Å; Y108-V465 HydrophobicContact CG-CG2 4.28Å
109R92.6Very high91.7Very high49 Ų4948.1 Ų48.119%0.18526%0.264CS..Hα-helixtrans-61.6-39.4-177.6-74.2166.1-177.3161.8-3.6112.1M105 H106 L107 Y113 I115 S313 S316 E321M105-R109 WeakPolarHBondContact O-CB 3.33Å; M105-R109 WeakPolarHBondContact O-CD 3.34Å; M105-R109 WeakPolarHBondContact O-CG 3.49Å; M105-R109 PolarHBondContact O-N 3.21Å; H106-R109 PolarHBondContact O-N 3.48Å; H106-R109 VanDerWaalsContact O-N 3.12Å; L107-R109 VanDerWaalsContact C-N 3.33Å; L107-R109 PolarHBondContact O-N 3.12Å; R109-Y113 HydrophobicContact CB-CD2 4.43Å; R109-Y113 WeakPolarHBondContact O-CB 3.41Å; R109-Y113 PolarHBondContact O-N 3.36Å; R109-I115 WeakPolarHBondContact O-CG1 3.47Å; R109-S313 PolarHBondContact NE-O 2.87Å; R109-S316 WeakPolarHBondContact CG-OG 3.21Å; R109-S316 PolarHBondContact NE-OG 2.84Å; R109-S316 PolarHBondContact NH2-O 3.35Å; R109-E321 IonicContact NH2-OE1 3.8Å; R109-E321 PolarHBondContact NH2-OE1 2.71Å; R109-E321 VanDerWaalsContact NH2-OE1 3.16Å
110E91.7Very high91.7Very high70 Ų7051.7 Ų51.733%0.32728%0.281SS..Hα-helixtrans-63.7-48175.6-74.4-68.3134.100111.7H106 L107 Y108 D114H106-E110 IonicContact CE1-OE1 3.68Å; H106-E110 PolarHBondContact O-N 3.18Å; L107-E110 PolarHBondContact O-N 2.93Å; Y108-E110 VanDerWaalsContact C-N 3.32Å; Y108-E110 PolarHBondContact O-N 2.86Å; E110-D114 WeakPolarHBondContact O-CA 3.33Å; E110-D114 PolarHBondContact O-N 3.26Å
111S91.1Very high91.7Very high49 Ų4954 Ų5434%0.34329%0.29SS..Hα-helixtrans-71.5-47-178.6168.80000113.1L107 Y108 Y113 T466L107-S111 PolarHBondContact O-N 2.93Å; Y108-S111 PolarHBondContact O-N 2.98Å; S111-Y113 PolarHBondContact O-N 3.06Å; S111-T466 PolarHBondContact OG-O 3Å
112A91.9Very high91.7Very high35 Ų3553.9 Ų53.929%0.28929%0.29SS..Hα-helixtrans-71.8-28.8-172.200000113.8Y108 V465Y108-A112 HydrophobicContact CD1-CB 4.02Å; Y108-A112 HydrophobicContact CE1-CB 3.63Å; Y108-A112 HydrophobicContact CE2-CB 4.26Å; Y108-A112 HydrophobicContact CG-CB 4.49Å; Y108-A112 WeakPolarHBondContact O-CB 3.47Å; Y108-A112 PolarHBondContact O-N 3.47Å; A112-V465 HydrophobicContact CB-CG1 3.76Å; A112-V465 HydrophobicContact CB-CG2 4.39Å
113Y90.8Very high91.7Very high44 Ų4453 Ų5317%0.17328%0.276CS..Hα-helixtrans-125.60.3-168.3-58-66.2000114.3Y108 R109 S111 I115 T309 A312Y108-Y113 HydrophobicContact CD1-CE2 4.26Å; Y108-Y113 AromaticContact CE1-CE2 3.75Å; Y108-Y113 HydrophobicContact CE1-CE2 3.75Å; R109-Y113 HydrophobicContact CB-CD2 4.43Å; R109-Y113 WeakPolarHBondContact O-CB 3.41Å; R109-Y113 PolarHBondContact O-N 3.36Å; S111-Y113 PolarHBondContact O-N 3.06Å; Y113-I115 VanDerWaalsContact C-N 3.26Å; Y113-I115 PolarHBondContact O-N 3.16Å; Y113-T309 HydrophobicContact CD1-CG2 4.27Å; Y113-T309 HydrophobicContact CG-CG2 4.38Å; Y113-T309 VanDerWaalsContact O-CG2 3.23Å; Y113-T309 WeakPolarHBondContact O-CG2 3.37Å; Y113-A312 HydrophobicContact CD1-CB 4.35Å; Y113-A312 HydrophobicContact CE1-CB 3.74Å
114D89.6Confident91.7Very high78 Ų7849.5 Ų49.542%0.41727%0.265SS..  trans43.753.5-174-162.7-13.8000112.1E110 A116 Q117 V118E110-D114 WeakPolarHBondContact O-CA 3.33Å; E110-D114 PolarHBondContact O-N 3.26Å; D114-A116 PolarHBondContact O-N 3.41Å; D114-Q117 HydrophobicContact CB-CB 4.44Å; D114-Q117 VanDerWaalsContact CG-CB 3.49Å; D114-Q117 PolarHBondContact O-N 3.46Å; D114-Q117 VanDerWaalsContact O-N 3.09Å; D114-Q117 VanDerWaalsContact OD1-CB 3.24Å; D114-Q117 WeakPolarHBondContact OD1-CB 3.4Å; D114-Q117 PolarHBondContact OD1-N 2.83Å; D114-Q117 PolarHBondContact OD2-OE1 3.38Å; D114-V118 PolarHBondContact O-N 3.5Å
115I87.4Confident91.7Very high24 Ų2450 Ų5012%0.12327%0.267CS..Hα-helixtrans-62.2-30.8-171.4-71-60.8000111.9R109 Y113 S119 T309 S313R109-I115 WeakPolarHBondContact O-CG1 3.47Å; Y113-I115 VanDerWaalsContact C-N 3.26Å; Y113-I115 PolarHBondContact O-N 3.16Å; I115-S119 WeakPolarHBondContact O-CA 3.41Å; I115-S119 WeakPolarHBondContact O-CB 3.15Å; I115-S119 PolarHBondContact O-N 3.49Å; I115-S119 PolarHBondContact O-OG 3.02Å; I115-T309 HydrophobicContact CD1-CG2 4.37Å; I115-S313 VanDerWaalsContact CD1-CB 3.44Å; I115-S313 WeakPolarHBondContact CD1-OG 3.4Å; I115-S313 WeakPolarHBondContact CG1-OG 3.41Å
116A87.9Confident91.8Very high60 Ų6049.7 Ų49.750%0.49627%0.265SS..Hα-helixtrans-58.2-50.6173.500000111.6D114 Q120D114-A116 PolarHBondContact O-N 3.41Å; A116-Q120 PolarHBondContact O-N 3Å
117Q90.5Very high91.8Very high95 Ų9545.7 Ų45.744%0.44425%0.247SC..Hα-helixtrans-65.9-48.4179.4-172.1-178.415.800111.6D114 S119 Q120 Q121D114-Q117 HydrophobicContact CB-CB 4.44Å; D114-Q117 VanDerWaalsContact CG-CB 3.49Å; D114-Q117 PolarHBondContact O-N 3.46Å; D114-Q117 VanDerWaalsContact O-N 3.09Å; D114-Q117 VanDerWaalsContact OD1-CB 3.24Å; D114-Q117 WeakPolarHBondContact OD1-CB 3.4Å; D114-Q117 PolarHBondContact OD1-N 2.83Å; D114-Q117 PolarHBondContact OD2-OE1 3.38Å; Q117-S119 VanDerWaalsContact C-N 3.3Å; Q117-S119 PolarHBondContact O-N 3.43Å; Q117-Q120 WeakPolarHBondContact O-CB 3.38Å; Q117-Q120 PolarHBondContact O-N 3.35Å; Q117-Q120 VanDerWaalsContact O-N 3.13Å; Q117-Q121 WeakPolarHBondContact O-CG 3.4Å; Q117-Q121 PolarHBondContact O-N 2.94Å
118V92.1Very high91.9Very high13 Ų1344 Ų448%0.07924%0.238CC..Hα-helixtrans-63.4-38.9-178.5176.80000111.4D114 Q120 Q121 S122 T309 L310D114-V118 PolarHBondContact O-N 3.5Å; V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 2.82Å; V118-Q121 PolarHBondContact O-N 3.45Å; V118-S122 VanDerWaalsContact O-CB 3.32Å; V118-S122 WeakPolarHBondContact O-CB 3.43Å; V118-S122 PolarHBondContact O-N 3.41Å; V118-S122 PolarHBondContact O-OG 2.86Å; V118-T309 HydrophobicContact CG1-CG2 4.47Å; V118-T309 HydrophobicContact CG2-CG2 3.88Å; V118-L310 HydrophobicContact CG1-CD1 4.42Å; V118-L310 HydrophobicContact CG1-CD2 4.11Å; V118-L310 HydrophobicContact CG1-CG 3.87Å
119S88.4Confident91.8Very high26 Ų2645.1 Ų45.118%0.18225%0.245CC..Hα-helixtrans-65.9-28.9176.8-70.20000113.3I115 Q117 S122 S123 R232I115-S119 WeakPolarHBondContact O-CA 3.41Å; I115-S119 WeakPolarHBondContact O-CB 3.15Å; I115-S119 PolarHBondContact O-N 3.49Å; I115-S119 PolarHBondContact O-OG 3.02Å; Q117-S119 VanDerWaalsContact C-N 3.3Å; Q117-S119 PolarHBondContact O-N 3.43Å; S119-S122 WeakPolarHBondContact CA-OG 3.34Å; S119-S123 WeakPolarHBondContact O-CB 3.37Å; S119-S123 PolarHBondContact O-N 3.43Å; S119-R232 PolarHBondContact O-NH2 3.29Å; S119-R232 VanDerWaalsContact O-NH2 3.09Å
120Q89.9Confident92Very high153 Ų15342.8 Ų42.872%0.71524%0.237SC*.Hα-helixtrans-74.9-45.6174.5-171.5-178.522.900111A116 Q117 V118 S123A116-Q120 PolarHBondContact O-N 3Å; Q117-Q120 WeakPolarHBondContact O-CB 3.38Å; Q117-Q120 PolarHBondContact O-N 3.35Å; Q117-Q120 VanDerWaalsContact O-N 3.13Å; V118-Q120 VanDerWaalsContact C-N 3.28Å; V118-Q120 PolarHBondContact O-N 2.82Å; Q120-S123 WeakPolarHBondContact O-CB 3.39Å; Q120-S123 PolarHBondContact O-N 2.79Å
121Q91.6Very high92.2Very high103 Ų10339.5 Ų39.548%0.48122%0.221SC..Hα-helixtrans-65.9-40.1179.9-68.9175.1-5.400112.6Q117 V118 P124Q117-Q121 WeakPolarHBondContact O-CG 3.4Å; Q117-Q121 PolarHBondContact O-N 2.94Å; V118-Q121 PolarHBondContact O-N 3.45Å; Q121-P124 WeakPolarHBondContact O-CD 3.36Å
122S93.4Very high92.3Very high5 Ų537.9 Ų37.94%0.03521%0.207CC..Hα-helixtrans-79.2-16.6178.958.90000113.3V118 S119 P124 F125 F126V118-S122 VanDerWaalsContact O-CB 3.32Å; V118-S122 WeakPolarHBondContact O-CB 3.43Å; V118-S122 PolarHBondContact O-N 3.41Å; V118-S122 PolarHBondContact O-OG 2.86Å; S119-S122 WeakPolarHBondContact CA-OG 3.34Å; S122-P124 VanDerWaalsContact C-N 3.3Å; S122-P124 WeakPolarHBondContact O-CD 3.36Å; S122-F125 WeakPolarHBondContact O-CA 3.43Å; S122-F125 WeakPolarHBondContact O-CB 3.4Å; S122-F125 PolarHBondContact O-N 2.92Å; S122-F126 WeakPolarHBondContact O-CD2 3.26Å; S122-F126 PolarHBondContact O-N 3.05Å
123S92.2Very high92.5Very high31 Ų3139.9 Ų39.922%0.21721%0.213CC..G310 helixtrans-49.5-37.7-173.5-169.30000115.8S119 Q120 F125 F126 R232S119-S123 WeakPolarHBondContact O-CB 3.37Å; S119-S123 PolarHBondContact O-N 3.43Å; Q120-S123 WeakPolarHBondContact O-CB 3.39Å; Q120-S123 PolarHBondContact O-N 2.79Å; S123-F125 PolarHBondContact O-N 2.71Å; S123-F126 PolarHBondContact O-N 3.3Å; S123-R232 WeakPolarHBondContact OG-CD 3.43Å; S123-R232 PolarHBondContact OG-NE 3.45Å
124P94.1Very high92.8Very high45 Ų4537.8 Ų37.829%0.29221%0.205SC..G310 helixtrans-65.5-20.9177.5-22.635.4000114.4Q121 S122 R294Q121-P124 WeakPolarHBondContact O-CD 3.36Å; S122-P124 VanDerWaalsContact C-N 3.3Å; S122-P124 WeakPolarHBondContact O-CD 3.36Å; P124-R294 HydrophobicContact CB-CG 4.21Å; P124-R294 VanDerWaalsContact CB-CZ 3.5Å; P124-R294 VanDerWaalsContact CB-NH1 3.29Å
125F95.9Very high93.1Very high16 Ų1634.1 Ų34.17%0.0719%0.185CC..G310 helixtrans-88.8-19.3177.6-63.4-90.3000112.6S122 S123 S130 I292 R294 E300 Q301 L302S122-F125 WeakPolarHBondContact O-CA 3.43Å; S122-F125 WeakPolarHBondContact O-CB 3.4Å; S122-F125 PolarHBondContact O-N 2.92Å; S123-F125 PolarHBondContact O-N 2.71Å; F125-S130 WeakPolarHBondContact O-CB 3.34Å; F125-S130 PolarHBondContact O-OG 3.09Å; F125-I292 HydrophobicContact CB-CG2 4.01Å; F125-I292 VanDerWaalsContact O-CG2 3.28Å; F125-I292 WeakPolarHBondContact O-CG2 3.35Å; F125-R294 HydrophobicContact CD1-CG 3.67Å; F125-R294 HydrophobicContact CD2-CG 4.25Å; F125-R294 HydrophobicContact CE1-CG 3.53Å; F125-R294 HydrophobicContact CE2-CG 4.13Å; F125-R294 HydrophobicContact CG-CG 4.02Å; F125-R294 HydrophobicContact CZ-CG 3.77Å; F125-E300 HydrophobicContact CE1-CB 4.38Å; F125-E300 HydrophobicContact CZ-CB 4.27Å; F125-Q301 WeakPolarHBondContact CE1-O 3.32Å; F125-Q301 VanDerWaalsContact CZ-O 3.26Å; F125-Q301 WeakPolarHBondContact CZ-O 3.46Å; F125-L302 HydrophobicContact CB-CD1 4.3Å; F125-L302 HydrophobicContact CD1-CB 4.08Å; F125-L302 HydrophobicContact CD2-CD1 3.93Å; F125-L302 HydrophobicContact CE1-CB 4.4Å; F125-L302 HydrophobicContact CE2-CD1 4.47Å; F125-L302 HydrophobicContact CG-CB 4.21Å; F125-L302 HydrophobicContact CG-CD1 4.09Å
126F95.4Very high93.5Very high5 Ų534 Ų342%0.02219%0.187CC..  trans-107.768.9-178.5-71.2-97.4000110.4S122 S123 I131 R232 V233 F235 A238 F282 M288 L302 L310S122-F126 WeakPolarHBondContact O-CD2 3.26Å; S122-F126 PolarHBondContact O-N 3.05Å; S123-F126 PolarHBondContact O-N 3.3Å; F126-I131 HydrophobicContact CD1-CD1 3.84Å; F126-I131 HydrophobicContact CE1-CD1 4.31Å; F126-I131 HydrophobicContact CG-CD1 4.48Å; F126-R232 WeakPolarHBondContact O-CA 3.29Å; F126-V233 WeakPolarHBondContact CB-O 3.35Å; F126-V233 PolarHBondContact O-N 3.38Å; F126-F235 AromaticContact CE1-CD2 3.58Å; F126-F235 HydrophobicContact CE1-CD2 3.58Å; F126-F235 HydrophobicContact CE1-CE2 4.18Å; F126-F235 HydrophobicContact CE1-CG 4.44Å; F126-F235 AromaticContact CZ-CD2 3.72Å; F126-F235 HydrophobicContact CZ-CD2 3.72Å; F126-F235 HydrophobicContact CZ-CE2 4.15Å; F126-A238 HydrophobicContact CD1-CB 4.17Å; F126-A238 HydrophobicContact CE1-CB 4.44Å; F126-F282 AromaticContact CE1-CZ 3.99Å; F126-F282 HydrophobicContact CE1-CZ 3.99Å; F126-M288 HydrophobicContact CZ-SD 4.2Å; F126-L302 HydrophobicContact CE2-CD1 4.37Å; F126-L302 HydrophobicContact CE2-CD2 3.84Å; F126-L302 HydrophobicContact CZ-CD2 4.15Å; F126-L310 HydrophobicContact CE2-CD1 3.81Å; F126-L310 HydrophobicContact CZ-CD1 3.87Å
127T94.8Very high93.9Very high13 Ų1333.3 Ų33.38%0.0818%0.176CC..BIsolated β-bridgetrans-113.4158.7168.569.10000109.9N129 S130 I131 S231T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 PolarHBondContact O-N 2.67Å; T127-S130 WeakPolarHBondContact O-CB 3.35Å; T127-S130 PolarHBondContact O-N 3.03Å; T127-S130 WeakPolarHBondContact OG1-CB 3.49Å; T127-S130 PolarHBondContact OG1-N 2.9Å; T127-S130 PolarHBondContact OG1-OG 2.98Å; T127-I131 WeakPolarHBondContact O-CG1 3.25Å; T127-I131 PolarHBondContact O-N 3.35Å; T127-S231 VanDerWaalsContact CA-O 3.31Å; T127-S231 WeakPolarHBondContact CA-O 3.33Å
128F93.5Very high94.3Very high1 Ų128.8 Ų28.80%0.00416%0.155CC..Hα-helixtrans-50-50.4177.4172.5-93000111.9S130 I131 W132 M164 V181 V183 L220 W228 S231 V233 M241F128-S130 PolarHBondContact O-N 3.28Å; F128-I131 PolarHBondContact O-N 3.01Å; F128-W132 HydrophobicContact CE1-CB 4.27Å; F128-W132 HydrophobicContact CZ-CB 4.4Å; F128-W132 WeakPolarHBondContact O-CB 3.46Å; F128-W132 PolarHBondContact O-N 3.31Å; F128-M164 HydrophobicContact CE1-SD 3.59Å; F128-M164 VanDerWaalsContact CE1-SD 3.59Å; F128-M164 HydrophobicContact CZ-SD 3.64Å; F128-V181 HydrophobicContact CE2-CG1 4.27Å; F128-V181 HydrophobicContact CZ-CG1 4.23Å; F128-V183 HydrophobicContact CD2-CG1 3.69Å; F128-V183 HydrophobicContact CE2-CG1 3.36Å; F128-V183 HydrophobicContact CZ-CG1 4.11Å; F128-L220 HydrophobicContact CD2-CD1 4.06Å; F128-W228 AromaticContact CD1-CE3 4Å; F128-W228 HydrophobicContact CD1-CE3 4Å; F128-W228 HydrophobicContact CD1-CH2 4.4Å; F128-W228 AromaticContact CD1-CZ3 3.47Å; F128-W228 HydrophobicContact CD1-CZ3 3.47Å; F128-W228 VanDerWaalsContact CD1-CZ3 3.47Å; F128-W228 HydrophobicContact CD2-CZ3 4.46Å; F128-W228 HydrophobicContact CE1-CE3 4.3Å; F128-W228 AromaticContact CE1-CH2 3.93Å; F128-W228 HydrophobicContact CE1-CH2 3.93Å; F128-W228 AromaticContact CE1-CZ3 3.33Å; F128-W228 HydrophobicContact CE1-CZ3 3.33Å; F128-W228 HydrophobicContact CE2-CZ3 4.34Å; F128-W228 HydrophobicContact CG-CE3 4.32Å; F128-W228 HydrophobicContact CG-CZ3 4.06Å; F128-W228 HydrophobicContact CZ-CH2 4.4Å; F128-W228 AromaticContact CZ-CZ3 3.79Å; F128-W228 HydrophobicContact CZ-CZ3 3.79Å; F128-S231 PolarHBondContact N-O 3.1Å; F128-S231 VanDerWaalsContact N-O 3.14Å; F128-V233 HydrophobicContact CB-CG2 4.29Å; F128-M241 HydrophobicContact CD2-CE 3.56Å; F128-M241 HydrophobicContact CD2-SD 4.35Å; F128-M241 HydrophobicContact CE2-CE 3.59Å
129N93.4Very high94.5Very high32 Ų3228.1 Ų28.117%0.17115%0.151CC..Hα-helixtrans-63.3-37.4178.9-90.83.7000113.2T127 N133 R229 T295T127-N129 VanDerWaalsContact C-N 3.29Å; T127-N129 PolarHBondContact O-N 2.67Å; N129-N133 VanDerWaalsContact O-CB 3.24Å; N129-N133 WeakPolarHBondContact O-CB 3.46Å; N129-N133 PolarHBondContact O-N 3.22Å; N129-N133 PolarHBondContact O-ND2 2.88Å; N129-R229 WeakPolarHBondContact CB-O 3.32Å; N129-R229 PolarHBondContact N-O 3.22Å; N129-T295 HydrophobicContact CB-CG2 3.44Å; N129-T295 VanDerWaalsContact CB-CG2 3.44Å
130S95.7Very high94.9Very high1 Ų131.5 Ų31.51%0.00716%0.164CC..Hα-helixtrans-63.2-47.8176.9-69.80000111.9F125 T127 F128 N133 G134 R293F125-S130 WeakPolarHBondContact O-CB 3.34Å; F125-S130 PolarHBondContact O-OG 3.09Å; T127-S130 WeakPolarHBondContact O-CB 3.35Å; T127-S130 PolarHBondContact O-N 3.03Å; T127-S130 WeakPolarHBondContact OG1-CB 3.49Å; T127-S130 PolarHBondContact OG1-N 2.9Å; T127-S130 PolarHBondContact OG1-OG 2.98Å; F128-S130 PolarHBondContact O-N 3.28Å; S130-N133 PolarHBondContact O-N 2.88Å; S130-G134 PolarHBondContact O-N 2.75Å; S130-R293 WeakPolarHBondContact CB-O 3.36Å; S130-R293 PolarHBondContact OG-O 3.46Å
131I96.1Very high95.3Very high0 Ų028.8 Ų28.80%015%0.148CC..Hα-helixtrans-64.5-44.4178.7-58.3-47.5000110.1F126 T127 F128 G134 F135 A238 M241 F242 F282 I292F126-I131 HydrophobicContact CD1-CD1 3.84Å; F126-I131 HydrophobicContact CE1-CD1 4.31Å; F126-I131 HydrophobicContact CG-CD1 4.48Å; T127-I131 WeakPolarHBondContact O-CG1 3.25Å; T127-I131 PolarHBondContact O-N 3.35Å; F128-I131 PolarHBondContact O-N 3.01Å; I131-G134 PolarHBondContact O-N 3.43Å; I131-F135 PolarHBondContact O-N 3.35Å; I131-A238 HydrophobicContact CD1-CB 3.74Å; I131-A238 HydrophobicContact CG1-CB 3.79Å; I131-A238 HydrophobicContact CG2-CB 4.09Å; I131-M241 HydrophobicContact CB-CE 4.15Å; I131-M241 HydrophobicContact CB-SD 4.31Å; I131-M241 HydrophobicContact CG2-CB 4.21Å; I131-M241 HydrophobicContact CG2-CE 3.82Å; I131-M241 HydrophobicContact CG2-SD 3.88Å; I131-F242 HydrophobicContact CG2-CD2 4.01Å; I131-F242 HydrophobicContact CG2-CE2 3.74Å; I131-F282 HydrophobicContact CD1-CE2 4.4Å; I131-I292 HydrophobicContact CD1-CD1 3.95Å
132W94.3Very high95.5Very high15 Ų1523.9 Ų23.96%0.05713%0.125CC..Hα-helixtrans-58.9-50.6176.2172.4-107.3000112.9F128 G134 F135 S136 L147 L166 L245F128-W132 HydrophobicContact CE1-CB 4.27Å; F128-W132 HydrophobicContact CZ-CB 4.4Å; F128-W132 WeakPolarHBondContact O-CB 3.46Å; F128-W132 PolarHBondContact O-N 3.31Å; W132-G134 VanDerWaalsContact C-N 3.28Å; W132-G134 PolarHBondContact O-N 2.84Å; W132-F135 PolarHBondContact O-N 3.39Å; W132-S136 PolarHBondContact O-N 3.44Å; W132-L147 HydrophobicContact CH2-CB 3.7Å; W132-L147 HydrophobicContact CH2-CD1 3.55Å; W132-L147 HydrophobicContact CH2-CG 4.11Å; W132-L147 HydrophobicContact CZ2-CB 3.59Å; W132-L147 HydrophobicContact CZ2-CD1 4.19Å; W132-L147 HydrophobicContact CZ2-CG 4.47Å; W132-L147 HydrophobicContact CZ3-CD1 4.23Å; W132-L166 HydrophobicContact CH2-CD1 3.07Å; W132-L166 HydrophobicContact CH2-CD2 3.99Å; W132-L166 HydrophobicContact CH2-CG 4.07Å; W132-L166 HydrophobicContact CZ2-CD1 3.43Å; W132-L166 VanDerWaalsContact CZ2-CD1 3.43Å; W132-L166 HydrophobicContact CZ2-CD2 3.37Å; W132-L166 HydrophobicContact CZ2-CG 3.97Å; W132-L166 HydrophobicContact CZ3-CD1 3.7Å; W132-L245 HydrophobicContact CE3-CD1 4.36Å; W132-L245 HydrophobicContact CZ3-CD1 4.34Å; W132-L245 HydrophobicContact CZ3-CD2 3.83Å
133N95.3Very high95.6Very high78 Ų7824.4 Ų24.442%0.41713%0.126SC..Hα-helixtrans-63.5-36.7179.7-72.2-17000111.7N129 S130 S136 T137N129-N133 VanDerWaalsContact O-CB 3.24Å; N129-N133 WeakPolarHBondContact O-CB 3.46Å; N129-N133 PolarHBondContact O-N 3.22Å; N129-N133 PolarHBondContact O-ND2 2.88Å; S130-N133 PolarHBondContact O-N 2.88Å; N133-S136 PolarHBondContact O-N 3.05Å; N133-T137 WeakPolarHBondContact O-CB 3.4Å; N133-T137 PolarHBondContact O-N 2.6Å; N133-T137 PolarHBondContact O-OG1 3.35Å
134G96.7Very high95.9Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-61.3-48173.100000112S130 I131 W132 S136 T137 L138 I291S130-G134 PolarHBondContact O-N 2.75Å; I131-G134 PolarHBondContact O-N 3.43Å; W132-G134 VanDerWaalsContact C-N 3.28Å; W132-G134 PolarHBondContact O-N 2.84Å; G134-S136 PolarHBondContact O-N 2.89Å; G134-T137 WeakPolarHBondContact O-CB 3.22Å; G134-T137 PolarHBondContact O-N 3.14Å; G134-L138 PolarHBondContact O-N 2.95Å; G134-I291 WeakPolarHBondContact CA-O 3.19Å
135F97.1Very high96Very high0 Ų021 Ų210%010%0.103CC..Hα-helixtrans-62.5-41.7176.1-173.4-93.3000112.8I131 W132 T137 L138 T139 L147 F242 L245 M249 M278I131-F135 PolarHBondContact O-N 3.35Å; W132-F135 PolarHBondContact O-N 3.39Å; F135-T137 VanDerWaalsContact C-N 3.32Å; F135-T137 PolarHBondContact O-N 3.39Å; F135-L138 PolarHBondContact O-N 3.31Å; F135-T139 HydrophobicContact CD1-CG2 3.9Å; F135-T139 HydrophobicContact CE1-CG2 3.29Å; F135-T139 HydrophobicContact CE2-CG2 4.18Å; F135-T139 HydrophobicContact CZ-CG2 3.44Å; F135-T139 VanDerWaalsContact CZ-CG2 3.44Å; F135-T139 PolarHBondContact O-N 3.26Å; F135-T139 PolarHBondContact O-OG1 3.36Å; F135-L147 HydrophobicContact CD1-CD1 3.95Å; F135-L147 HydrophobicContact CE1-CD1 3.95Å; F135-F242 HydrophobicContact CB-CE1 4.48Å; F135-F242 HydrophobicContact CB-CE2 4.13Å; F135-F242 HydrophobicContact CB-CZ 4Å; F135-F242 AromaticContact CD2-CD1 3.81Å; F135-F242 HydrophobicContact CD2-CD1 3.81Å; F135-F242 HydrophobicContact CD2-CD2 4.42Å; F135-F242 AromaticContact CD2-CE1 3.86Å; F135-F242 HydrophobicContact CD2-CE1 3.86Å; F135-F242 HydrophobicContact CD2-CE2 4.44Å; F135-F242 HydrophobicContact CD2-CG 4.11Å; F135-F242 HydrophobicContact CD2-CZ 4.18Å; F135-F242 HydrophobicContact CE2-CD1 4.4Å; F135-L245 HydrophobicContact CB-CD1 4.07Å; F135-L245 HydrophobicContact CD1-CB 4.06Å; F135-L245 HydrophobicContact CD1-CD1 3.73Å; F135-L245 HydrophobicContact CD1-CD2 4.28Å; F135-L245 HydrophobicContact CD1-CG 4.25Å; F135-L245 HydrophobicContact CD2-CB 3.97Å; F135-L245 HydrophobicContact CD2-CD1 3.97Å; F135-L245 HydrophobicContact CE1-CB 3.63Å; F135-L245 HydrophobicContact CE1-CD1 4.17Å; F135-L245 HydrophobicContact CE1-CD2 4.14Å; F135-L245 HydrophobicContact CE1-CG 4.2Å; F135-L245 HydrophobicContact CE2-CB 3.54Å; F135-L245 HydrophobicContact CE2-CD1 4.41Å; F135-L245 HydrophobicContact CG-CB 4.23Å; F135-L245 HydrophobicContact CG-CD1 3.62Å; F135-L245 HydrophobicContact CG-CG 4.46Å; F135-L245 HydrophobicContact CZ-CB 3.37Å; F135-L245 HydrophobicContact CZ-CG 4.39Å; F135-M249 HydrophobicContact CE1-CG 4.03Å; F135-M249 HydrophobicContact CE1-SD 4.4Å; F135-M249 HydrophobicContact CZ-CG 3.7Å; F135-M278 HydrophobicContact CE2-CG 4.18Å; F135-M278 HydrophobicContact CE2-SD 4.02Å
136S95.9Very high96.1Very high22 Ų2223.5 Ų23.515%0.15411%0.112CC..Hα-helixtrans-61.1-41.5175.5-170.10000111.6W132 N133 G134 T139 Q140W132-S136 PolarHBondContact O-N 3.44Å; N133-S136 PolarHBondContact O-N 3.05Å; G134-S136 PolarHBondContact O-N 2.89Å; S136-T139 PolarHBondContact O-OG1 3.34Å; S136-T139 VanDerWaalsContact O-OG1 3.05Å; S136-Q140 WeakPolarHBondContact O-CB 3.37Å; S136-Q140 PolarHBondContact O-N 3.26Å
137T96.3Very high96.2Very high45 Ų4523.8 Ų23.828%0.27611%0.114SC..Hα-helixtrans-62.9-44.2174.3-58.60000111.6N133 G134 F135 Q140 R141 I291N133-T137 WeakPolarHBondContact O-CB 3.4Å; N133-T137 PolarHBondContact O-N 2.6Å; N133-T137 PolarHBondContact O-OG1 3.35Å; G134-T137 WeakPolarHBondContact O-CB 3.22Å; G134-T137 PolarHBondContact O-N 3.14Å; F135-T137 VanDerWaalsContact C-N 3.32Å; F135-T137 PolarHBondContact O-N 3.39Å; T137-Q140 PolarHBondContact O-N 3.13Å; T137-R141 WeakPolarHBondContact O-CG 3.26Å; T137-R141 PolarHBondContact O-N 3.08Å; T137-R141 VanDerWaalsContact O-N 3.11Å; T137-I291 HydrophobicContact CG2-CG2 4.37Å
138L97.6Very high96.2Very high0 Ų026 Ų260%013%0.125CC..Hα-helixtrans-61.7-50.3178.8-179.864.9000111.5G134 F135 Q140 R141 L142 F242 M278 F281 V287 I291 F411G134-L138 PolarHBondContact O-N 2.95Å; F135-L138 PolarHBondContact O-N 3.31Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 3.24Å; L138-R141 PolarHBondContact O-N 2.91Å; L138-R141 VanDerWaalsContact O-N 3.16Å; L138-L142 HydrophobicContact CD1-CD1 3.66Å; L138-L142 HydrophobicContact CD1-CG 3.84Å; L138-L142 HydrophobicContact CD2-CD1 4.29Å; L138-L142 HydrophobicContact CG-CD1 3.72Å; L138-L142 HydrophobicContact CG-CG 4.2Å; L138-L142 WeakPolarHBondContact O-CB 3.07Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.22Å; L138-F242 HydrophobicContact CD2-CD1 4.41Å; L138-F242 HydrophobicContact CD2-CE1 3.84Å; L138-M278 HydrophobicContact CD2-SD 4.24Å; L138-F281 HydrophobicContact CD1-CD1 3.71Å; L138-F281 HydrophobicContact CD1-CE1 4.09Å; L138-F281 HydrophobicContact CD1-CG 4.28Å; L138-F281 HydrophobicContact CD2-CB 3.69Å; L138-F281 HydrophobicContact CD2-CD1 4.2Å; L138-F281 HydrophobicContact CD2-CG 3.93Å; L138-V287 HydrophobicContact CD1-CG1 4.39Å; L138-I291 HydrophobicContact CB-CD1 4.11Å; L138-I291 HydrophobicContact CD2-CD1 4.39Å; L138-F411 HydrophobicContact CD1-CD1 4.1Å; L138-F411 HydrophobicContact CD1-CE1 3.76Å
139T97.4Very high96.2Very high0 Ų030.5 Ų30.50%015%0.146CC..Hα-helixtrans-65.1-34.5-179.749.60000113.1F135 S136 Y143 G144 V145 M249F135-T139 HydrophobicContact CD1-CG2 3.9Å; F135-T139 HydrophobicContact CE1-CG2 3.29Å; F135-T139 HydrophobicContact CE2-CG2 4.18Å; F135-T139 HydrophobicContact CZ-CG2 3.44Å; F135-T139 VanDerWaalsContact CZ-CG2 3.44Å; F135-T139 PolarHBondContact O-N 3.26Å; F135-T139 PolarHBondContact O-OG1 3.36Å; S136-T139 PolarHBondContact O-OG1 3.34Å; S136-T139 VanDerWaalsContact O-OG1 3.05Å; T139-Y143 HydrophobicContact CG2-CD2 4.15Å; T139-Y143 HydrophobicContact CG2-CE2 4.23Å; T139-Y143 WeakPolarHBondContact O-CA 3.39Å; T139-Y143 WeakPolarHBondContact O-CB 3.25Å; T139-Y143 PolarHBondContact O-N 2.82Å; T139-G144 PolarHBondContact O-N 2.95Å; T139-V145 CarbonylContact C-O 3.38Å; T139-V145 PolarHBondContact O-N 3.18Å; T139-M249 HydrophobicContact CG2-CE 4.26Å; T139-M249 HydrophobicContact CG2-CG 3.91Å; T139-M249 HydrophobicContact CG2-SD 3.93Å
140Q96.9Very high96.3Very high96 Ų9631.7 Ų31.745%0.44915%0.15SC..Hα-helixtrans-62.8-43.7172.4-175.8-179.85.100111.4S136 T137 L138 G144 V145 R146S136-Q140 WeakPolarHBondContact O-CB 3.37Å; S136-Q140 PolarHBondContact O-N 3.26Å; T137-Q140 PolarHBondContact O-N 3.13Å; L138-Q140 VanDerWaalsContact C-N 3.33Å; L138-Q140 PolarHBondContact O-N 3.24Å; Q140-G144 WeakPolarHBondContact O-CA 3.37Å; Q140-G144 PolarHBondContact O-N 3.5Å; Q140-V145 WeakPolarHBondContact CA-O 3.13Å; Q140-V145 PolarHBondContact N-O 3.36Å; Q140-V145 VanDerWaalsContact N-O 3.12Å; Q140-R146 HydrophobicContact CB-CG 4.42Å; Q140-R146 HydrophobicContact CG-CG 3.97Å
141R96.9Very high96.1Very high97 Ų9736.8 Ų36.837%0.36618%0.183SC..Hα-helixtrans-73-41.5-179.8-69.7-178-174.5-178.611.1112.8T137 L138 D290 F411 R413T137-R141 WeakPolarHBondContact O-CG 3.26Å; T137-R141 PolarHBondContact O-N 3.08Å; T137-R141 VanDerWaalsContact O-N 3.11Å; L138-R141 PolarHBondContact O-N 2.91Å; L138-R141 VanDerWaalsContact O-N 3.16Å; R141-D290 IonicContact CZ-OD1 3.68Å; R141-D290 IonicContact NH1-OD1 2.92Å; R141-D290 PolarHBondContact NH1-OD1 3.03Å; R141-D290 IonicContact NH2-OD1 3.05Å; R141-D290 PolarHBondContact NH2-OD1 3.49Å; R141-F411 HydrophobicContact CB-CD1 4.18Å; R141-R413 VanDerWaalsContact O-CD 3.31Å; R141-R413 WeakPolarHBondContact O-CD 3.3Å
142L96.4Very high95.8Very high0 Ų040.2 Ų40.20%020%0.201CC..Hα-helixtrans-74.1-44.5-178.2-70.5-177.8000112.3L138 M278 F281 F406 P410 R413 G416L138-L142 HydrophobicContact CD1-CD1 3.66Å; L138-L142 HydrophobicContact CD1-CG 3.84Å; L138-L142 HydrophobicContact CD2-CD1 4.29Å; L138-L142 HydrophobicContact CG-CD1 3.72Å; L138-L142 HydrophobicContact CG-CG 4.2Å; L138-L142 WeakPolarHBondContact O-CB 3.07Å; L138-L142 WeakPolarHBondContact O-CG 3.39Å; L138-L142 PolarHBondContact O-N 3.22Å; L142-M278 HydrophobicContact CD1-CE 4.36Å; L142-F281 HydrophobicContact CD1-CD1 4.38Å; L142-F281 HydrophobicContact CD1-CD2 4.27Å; L142-F281 HydrophobicContact CD1-CE1 3.9Å; L142-F281 HydrophobicContact CD1-CE2 3.79Å; L142-F281 HydrophobicContact CD1-CZ 3.58Å; L142-F281 HydrophobicContact CD2-CE1 3.92Å; L142-F281 HydrophobicContact CD2-CZ 3.75Å; L142-F281 HydrophobicContact CG-CE1 4.43Å; L142-F281 HydrophobicContact CG-CZ 4.31Å; L142-F406 HydrophobicContact CD2-CE1 4.11Å; L142-P410 WeakPolarHBondContact CD2-O 3.44Å; L142-R413 WeakPolarHBondContact O-CD 3.26Å; L142-G416 CarbonylContact O-C 3.54Å; L142-G416 WeakPolarHBondContact O-CA 3.47Å
143Y96.6Very high95.5Very high16 Ų1645.1 Ų45.16%0.06323%0.227CC..Hα-helixtrans-118.7-7.4-167.1-50.8-51.4000113.8T139 V145 M249 L253 M278 A420T139-Y143 HydrophobicContact CG2-CD2 4.15Å; T139-Y143 HydrophobicContact CG2-CE2 4.23Å; T139-Y143 WeakPolarHBondContact O-CA 3.39Å; T139-Y143 WeakPolarHBondContact O-CB 3.25Å; T139-Y143 PolarHBondContact O-N 2.82Å; Y143-V145 PolarHBondContact O-N 2.85Å; Y143-M249 HydrophobicContact CD2-CE 3.76Å; Y143-M249 HydrophobicContact CE2-CE 4.25Å; Y143-M249 HydrophobicContact CE2-CG 4.49Å; Y143-L253 HydrophobicContact CD1-CD1 4.25Å; Y143-L253 HydrophobicContact CD2-CD1 4.28Å; Y143-L253 HydrophobicContact CE1-CD1 4.34Å; Y143-L253 HydrophobicContact CE2-CD1 4.37Å; Y143-L253 HydrophobicContact CG-CD1 4.21Å; Y143-M278 WeakPolarHBondContact OH-CE 3.28Å; Y143-A420 HydrophobicContact CD1-CB 3.93Å; Y143-A420 HydrophobicContact CE1-CB 4.44Å
144G97.1Very high95Very high1 Ų147.8 Ų47.81%0.0125%0.252CS..SBendtrans67.516.6-16800000113T139 Q140 D170 E171T139-G144 PolarHBondContact O-N 2.95Å; Q140-G144 WeakPolarHBondContact O-CA 3.37Å; Q140-G144 PolarHBondContact O-N 3.5Å; G144-D170 CarbonylContact O-C 3.57Å; G144-E171 VanDerWaalsContact O-CG 3.26Å; G144-E171 WeakPolarHBondContact O-CG 3.21Å; G144-E171 PolarHBondContact O-N 3.22Å
145V97.8Very high94.5Very high3 Ų351.5 Ų51.52%0.01829%0.29CS..  trans-97.7127.4-177.4176.90000109.8T139 Q140 Y143 A168 V169 L176 M249 L253T139-V145 CarbonylContact C-O 3.38Å; T139-V145 PolarHBondContact O-N 3.18Å; Q140-V145 WeakPolarHBondContact CA-O 3.13Å; Q140-V145 PolarHBondContact N-O 3.36Å; Q140-V145 VanDerWaalsContact N-O 3.12Å; Y143-V145 PolarHBondContact O-N 2.85Å; V145-A168 HydrophobicContact CG1-CB 4.28Å; V145-V169 CarbonylContact C-O 3.52Å; V145-V169 WeakPolarHBondContact CA-O 3.36Å; V145-L176 HydrophobicContact CB-CD1 4.46Å; V145-L176 HydrophobicContact CG1-CD1 4.11Å; V145-L176 HydrophobicContact CG2-CD1 3.61Å; V145-M249 HydrophobicContact CB-CE 4.05Å; V145-M249 HydrophobicContact CG1-CE 3.9Å; V145-M249 HydrophobicContact CG2-CE 4.21Å; V145-L253 HydrophobicContact CG2-CD2 4.19Å
146R97Very high94.1Very high68 Ų6853.8 Ų53.826%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-105.7142.7172-68.9179.1-64116.27.2110.4Q140 A168 V169 N173Q140-R146 HydrophobicContact CB-CG 4.42Å; Q140-R146 HydrophobicContact CG-CG 3.97Å; R146-A168 WeakPolarHBondContact O-CA 3.33Å; R146-V169 HydrophobicContact CB-CG2 4.01Å; R146-V169 PolarHBondContact N-O 3.02Å; R146-V169 PolarHBondContact O-N 3.42Å; R146-N173 PolarHBondContact NH2-OD1 2.84Å
147L96.6Very high93.4Very high12 Ų1254.7 Ų54.76%0.06330%0.303CS..EExtended strand (participates in β ladder)trans-110.1102.3178.2-61.5164.1000107.9W132 F135 A168 I179W132-L147 HydrophobicContact CH2-CB 3.7Å; W132-L147 HydrophobicContact CH2-CD1 3.55Å; W132-L147 HydrophobicContact CH2-CG 4.11Å; W132-L147 HydrophobicContact CZ2-CB 3.59Å; W132-L147 HydrophobicContact CZ2-CD1 4.19Å; W132-L147 HydrophobicContact CZ2-CG 4.47Å; W132-L147 HydrophobicContact CZ3-CD1 4.23Å; F135-L147 HydrophobicContact CD1-CD1 3.95Å; F135-L147 HydrophobicContact CE1-CD1 3.95Å; L147-A168 HydrophobicContact CD2-CB 3.85Å; L147-I179 HydrophobicContact CD2-CD1 3.91Å
148I95.6Very high92.5Very high60 Ų6057.7 Ų57.731%0.30831%0.309SS..EExtended strand (participates in β ladder)trans-99.4125.4-173.7-55176.8000108.8E150 L166 Q167 V169I148-E150 PolarHBondContact O-N 3.41Å; I148-L166 CarbonylContact O-C 3.29Å; I148-L166 VanDerWaalsContact O-CA 3.31Å; I148-L166 WeakPolarHBondContact O-CA 3.41Å; I148-Q167 PolarHBondContact N-O 3.19Å; I148-Q167 PolarHBondContact O-N 3.29Å; I148-V169 HydrophobicContact CD1-CG1 4.37Å; I148-V169 HydrophobicContact CD1-CG2 3.63Å; I148-V169 HydrophobicContact CG1-CG2 4.19Å
149E94.6Very high91Very high95 Ų9566.2 Ų66.244%0.44436%0.355SS..EExtended strand (participates in β ladder)trans-70.4130173.7-173175.9162.800111M164 K165 L166 R229E149-M164 HydrophobicContact CB-CE 4.35Å; E149-M164 HydrophobicContact CG-CE 4.04Å; E149-M164 WeakPolarHBondContact OE2-CE 3.32Å; E149-K165 WeakPolarHBondContact CA-O 3.39Å; E149-L166 HydrophobicContact CB-CD2 4.15Å; E149-R229 IonicContact OE1-CZ 3.16Å; E149-R229 IonicContact OE1-NH2 2.97Å; E149-R229 PolarHBondContact OE1-NH2 2.7Å; E149-R229 IonicContact OE2-NH2 2.64Å
150E94.4Very high89.7Confident57 Ų5767.8 Ų67.827%0.26637%0.366SS..EExtended strand (participates in β ladder)trans-115.6147.2173.9-71.6-162148.300111I148 K165 Q167I148-E150 PolarHBondContact O-N 3.41Å; E150-K165 HydrophobicContact CB-CD 4.17Å; E150-K165 HydrophobicContact CB-CG 4.31Å; E150-K165 PolarHBondContact N-O 3.14Å; E150-K165 WeakPolarHBondContact OE2-CE 3.18Å; E150-K165 IonicContact OE2-NZ 3.56Å; E150-K165 PolarHBondContact OE2-NZ 3.39Å; E150-Q167 HydrophobicContact CG-CB 4.14Å; E150-Q167 PolarHBondContact OE1-OE1 3.48Å
151P91.4Very high88.8Confident108 Ų10865.4 Ų65.470%0.70136%0.36SS*.PPolyproline II helixtrans-65139.1174.228.2-34000110.8
152L89.8Confident88.3Confident72 Ų7260.8 Ų60.838%0.37734%0.343SS..PPolyproline II helixtrans-70.1132.5169-69.5169.1000109.8E156 M157 V163 K165 Y180L152-E156 WeakPolarHBondContact CA-OE2 3.4Å; L152-E156 HydrophobicContact CD2-CG 4.46Å; L152-M157 HydrophobicContact CD1-CB 4.45Å; L152-M157 HydrophobicContact CD2-CB 4.26Å; L152-M157 HydrophobicContact CD2-CG 3.62Å; L152-V163 HydrophobicContact CD1-CB 4.44Å; L152-V163 HydrophobicContact CD1-CG1 4.18Å; L152-K165 HydrophobicContact CD2-CB 3.69Å; L152-K165 HydrophobicContact CD2-CD 4.41Å; L152-K165 HydrophobicContact CG-CB 4.34Å; L152-Y180 HydrophobicContact CD2-CD1 4.25Å; L152-Y180 HydrophobicContact CD2-CE1 3.97Å
153I88.7Confident88Confident118 Ų11861.4 Ų61.461%0.60535%0.347SS*.PPolyproline II helixtrans-86.1154.2170.866.5175.7000110.8G155 E156I153-G155 PolarHBondContact O-N 2.85Å; I153-E156 HydrophobicContact CG1-CB 3.78Å; I153-E156 HydrophobicContact CG1-CG 4.33Å; I153-E156 WeakPolarHBondContact CG1-OE2 3.47Å; I153-E156 PolarHBondContact N-OE2 3.42Å; I153-E156 VanDerWaalsContact O-CB 3.23Å; I153-E156 WeakPolarHBondContact O-CB 3.21Å; I153-E156 PolarHBondContact O-N 2.85Å
154S85.3Confident87.7Confident134 Ų13460.8 Ų60.894%0.93734%0.344SS*.THydrogen-bonded Turntrans-57.9124.1-179.5-171.30000111.2
155G85.2Confident87.6Confident78 Ų7862 Ų6280%0.80435%0.349SS*.THydrogen-bonded Turntrans86.8-0.7-178.700000115.7I153I153-G155 PolarHBondContact O-N 2.85Å
156E87.8Confident87.5Confident48 Ų4861.8 Ų61.822%0.22435%0.348CS..SBendtrans-71.7-36.3178.2-170.9169.4-153.900112.7L152 I153 K165 Y180L152-E156 WeakPolarHBondContact CA-OE2 3.4Å; L152-E156 HydrophobicContact CD2-CG 4.46Å; I153-E156 HydrophobicContact CG1-CB 3.78Å; I153-E156 HydrophobicContact CG1-CG 4.33Å; I153-E156 WeakPolarHBondContact CG1-OE2 3.47Å; I153-E156 PolarHBondContact N-OE2 3.42Å; I153-E156 VanDerWaalsContact O-CB 3.23Å; I153-E156 WeakPolarHBondContact O-CB 3.21Å; I153-E156 PolarHBondContact O-N 2.85Å; E156-K165 WeakPolarHBondContact OE1-CD 3.39Å; E156-K165 WeakPolarHBondContact OE1-CE 3.32Å; E156-K165 IonicContact OE1-NZ 3.44Å; E156-K165 PolarHBondContact OE1-NZ 3.41Å; E156-K165 IonicContact OE2-NZ 2.75Å; E156-Y180 HydrophobicContact CG-CE1 4.09Å; E156-Y180 WeakPolarHBondContact CG-OH 3.45Å; E156-Y180 PolarHBondContact OE1-OH 3.45Å
157M81.3Confident87.5Confident40 Ų4059.8 Ų59.820%0.19734%0.342CS..SBendtrans-136.1162.2-176.7-70.6-62.1-72.800111.7L152 V163 Y180L152-M157 HydrophobicContact CD1-CB 4.45Å; L152-M157 HydrophobicContact CD2-CB 4.26Å; L152-M157 HydrophobicContact CD2-CG 3.62Å; M157-V163 HydrophobicContact CB-CG1 4.39Å; M157-V163 HydrophobicContact CE-CG1 3.65Å; M157-V163 HydrophobicContact CG-CG1 4.17Å; M157-Y180 HydrophobicContact CE-CD1 4.23Å; M157-Y180 HydrophobicContact CE-CG 4.35Å; M157-Y180 HydrophobicContact CG-CD1 3.86Å; M157-Y180 HydrophobicContact CG-CE1 3.91Å; M157-Y180 HydrophobicContact SD-CD1 3.68Å; M157-Y180 HydrophobicContact SD-CE1 3.95Å; M157-Y180 HydrophobicContact SD-CG 4.05Å
158W78.2Confident87.6Confident108 Ų10859.2 Ų59.241%0.40934%0.339SS..  trans-61.1147.417152.480.8000110.7S160 D182W158-S160 VanDerWaalsContact C-N 3.31Å; W158-S160 PolarHBondContact NE1-OG 2.9Å; W158-S160 PolarHBondContact O-N 3.41Å; W158-D182 HydrophobicContact CZ2-CB 3.88Å; W158-D182 WeakPolarHBondContact CZ2-OD2 3.42Å
159N66.6Low87.7Confident180 Ų18056.5 Ų56.596%0.96333%0.325SS*.SBendtrans-82.475-173.1-162.713.9000111
160S69.5Low87.8Confident33 Ų3353.3 Ų53.323%0.23131%0.311CS..  trans-129.5149171.771.50000111.3W158W158-S160 VanDerWaalsContact C-N 3.31Å; W158-S160 PolarHBondContact NE1-OG 2.9Å; W158-S160 PolarHBondContact O-N 3.41Å
161S78.9Confident87.8Confident46 Ų4655.7 Ų55.732%0.32232%0.322SS..SBendtrans-63.8160.6162.7-54.60000109.1G223 S225S161-G223 VanDerWaalsContact CB-O 3.29Å; S161-G223 WeakPolarHBondContact CB-O 3.23Å; S161-G223 PolarHBondContact N-O 3.09Å; S161-S225 WeakPolarHBondContact CB-O 3.15Å
162G86.3Confident88Confident0 Ų056.5 Ų56.50%032%0.316CS..SBendtrans84.518.7178.400000115.4D182 V183G162-D182 WeakPolarHBondContact O-CA 3.38Å; G162-V183 VanDerWaalsContact O-CG2 3.24Å; G162-V183 WeakPolarHBondContact O-CG2 3.44Å; G162-V183 PolarHBondContact O-N 3.21Å
163V89.3Confident88.3Confident13 Ų1358.1 Ų58.18%0.07933%0.325CS..EExtended strand (participates in β ladder)trans-117.9136.7172.8-175.30000110.1L152 M157 V181 D182L152-V163 HydrophobicContact CD1-CB 4.44Å; L152-V163 HydrophobicContact CD1-CG1 4.18Å; M157-V163 HydrophobicContact CB-CG1 4.39Å; M157-V163 HydrophobicContact CE-CG1 3.65Å; M157-V163 HydrophobicContact CG-CG1 4.17Å; V163-V181 CarbonylContact C-O 3.51Å; V163-V181 VanDerWaalsContact CA-O 3.27Å; V163-V181 WeakPolarHBondContact CA-O 3.36Å; V163-D182 HydrophobicContact CG2-CB 4.21Å
164M91.4Very high88.6Confident2 Ų256.9 Ų56.91%0.0132%0.32CS..EExtended strand (participates in β ladder)trans-136.5153.4170.367-170.5-67.400111.6F128 E149 L166 Y180 V181 W228F128-M164 HydrophobicContact CE1-SD 3.59Å; F128-M164 VanDerWaalsContact CE1-SD 3.59Å; F128-M164 HydrophobicContact CZ-SD 3.64Å; E149-M164 HydrophobicContact CB-CE 4.35Å; E149-M164 HydrophobicContact CG-CE 4.04Å; E149-M164 WeakPolarHBondContact OE2-CE 3.32Å; M164-L166 HydrophobicContact CE-CD2 3.55Å; M164-L166 HydrophobicContact CE-CG 4.17Å; M164-Y180 WeakPolarHBondContact O-CA 3.31Å; M164-V181 HydrophobicContact CG-CB 3.89Å; M164-V181 HydrophobicContact CG-CG2 4.49Å; M164-V181 PolarHBondContact N-O 2.82Å; M164-V181 PolarHBondContact O-N 2.88Å; M164-W228 HydrophobicContact CB-CH2 4.07Å; M164-W228 HydrophobicContact CB-CZ2 4.4Å; M164-W228 HydrophobicContact CG-CH2 4.08Å; M164-W228 HydrophobicContact SD-CH2 3.77Å; M164-W228 HydrophobicContact SD-CZ3 4.41Å
165K94.8Very high89.1Confident26 Ų2655.4 Ų55.411%0.11330%0.298CS..EExtended strand (participates in β ladder)trans-111.1137176.3173.9-176.2174.1-179.50109.4E149 E150 L152 E156 V178 Y180E149-K165 WeakPolarHBondContact CA-O 3.39Å; E150-K165 HydrophobicContact CB-CD 4.17Å; E150-K165 HydrophobicContact CB-CG 4.31Å; E150-K165 PolarHBondContact N-O 3.14Å; E150-K165 WeakPolarHBondContact OE2-CE 3.18Å; E150-K165 IonicContact OE2-NZ 3.56Å; E150-K165 PolarHBondContact OE2-NZ 3.39Å; L152-K165 HydrophobicContact CD2-CB 3.69Å; L152-K165 HydrophobicContact CD2-CD 4.41Å; L152-K165 HydrophobicContact CG-CB 4.34Å; E156-K165 WeakPolarHBondContact OE1-CD 3.39Å; E156-K165 WeakPolarHBondContact OE1-CE 3.32Å; E156-K165 IonicContact OE1-NZ 3.44Å; E156-K165 PolarHBondContact OE1-NZ 3.41Å; E156-K165 IonicContact OE2-NZ 2.75Å; K165-V178 HydrophobicContact CG-CG1 4.06Å; K165-Y180 HydrophobicContact CB-CD1 4.03Å; K165-Y180 HydrophobicContact CB-CE1 3.92Å; K165-Y180 HydrophobicContact CD-CE1 3.98Å; K165-Y180 HydrophobicContact CG-CD1 4.28Å; K165-Y180 HydrophobicContact CG-CE1 3.84Å
166L95.7Very high89.6Confident0 Ų052.7 Ų52.70%027%0.265CS..EExtended strand (participates in β ladder)trans-130133.6-177.1-62.4161.5000110.1W132 I148 E149 M164 V178 I179 V181W132-L166 HydrophobicContact CH2-CD1 3.07Å; W132-L166 HydrophobicContact CH2-CD2 3.99Å; W132-L166 HydrophobicContact CH2-CG 4.07Å; W132-L166 HydrophobicContact CZ2-CD1 3.43Å; W132-L166 VanDerWaalsContact CZ2-CD1 3.43Å; W132-L166 HydrophobicContact CZ2-CD2 3.37Å; W132-L166 HydrophobicContact CZ2-CG 3.97Å; W132-L166 HydrophobicContact CZ3-CD1 3.7Å; I148-L166 CarbonylContact O-C 3.29Å; I148-L166 VanDerWaalsContact O-CA 3.31Å; I148-L166 WeakPolarHBondContact O-CA 3.41Å; E149-L166 HydrophobicContact CB-CD2 4.15Å; M164-L166 HydrophobicContact CE-CD2 3.55Å; M164-L166 HydrophobicContact CE-CG 4.17Å; L166-V178 CarbonylContact O-C 3.57Å; L166-V178 WeakPolarHBondContact O-CA 3.34Å; L166-I179 HydrophobicContact CB-CB 4.23Å; L166-I179 WeakPolarHBondContact CB-O 3.4Å; L166-I179 HydrophobicContact CD1-CB 4.43Å; L166-I179 PolarHBondContact N-O 2.9Å; L166-I179 PolarHBondContact O-N 3.48Å; L166-V181 HydrophobicContact CD1-CG2 3.64Å
167Q97.3Very high90.1Very high26 Ų2650.4 Ų50.412%0.12126%0.255CS..EExtended strand (participates in β ladder)trans-98.8121.9168.7-167.6-179.143.600109.1I148 E150 V169 E175I148-Q167 PolarHBondContact N-O 3.19Å; I148-Q167 PolarHBondContact O-N 3.29Å; E150-Q167 HydrophobicContact CG-CB 4.14Å; E150-Q167 PolarHBondContact OE1-OE1 3.48Å; Q167-V169 HydrophobicContact CG-CG1 3.94Å; Q167-E175 VanDerWaalsContact NE2-CG 3.3Å; Q167-E175 PolarHBondContact NE2-OE1 3.47Å
168A97.6Very high90.8Very high0 Ų049.5 Ų49.50%025%0.251CS..EExtended strand (participates in β ladder)trans-86.3126.4170.600000109.1V145 R146 L147 L176 G177 I252V145-A168 HydrophobicContact CG1-CB 4.28Å; R146-A168 WeakPolarHBondContact O-CA 3.33Å; L147-A168 HydrophobicContact CD2-CB 3.85Å; A168-L176 HydrophobicContact CB-CB 4.21Å; A168-L176 PolarHBondContact O-N 3.13Å; A168-G177 PolarHBondContact N-O 3.48Å; A168-G177 PolarHBondContact O-N 2.84Å; A168-I252 HydrophobicContact CB-CD1 4.13Å; A168-I252 HydrophobicContact CB-CG1 4.38Å; A168-I252 HydrophobicContact CB-CG2 3.95Å
169V97.8Very high91.7Very high3 Ų344.4 Ų44.42%0.01823%0.232CC..EExtended strand (participates in β ladder)trans-132.6149.4179.1-58.10000111.4V145 R146 I148 Q167 N174V145-V169 CarbonylContact C-O 3.52Å; V145-V169 WeakPolarHBondContact CA-O 3.36Å; R146-V169 HydrophobicContact CB-CG2 4.01Å; R146-V169 PolarHBondContact N-O 3.02Å; R146-V169 PolarHBondContact O-N 3.42Å; I148-V169 HydrophobicContact CD1-CG1 4.37Å; I148-V169 HydrophobicContact CD1-CG2 3.63Å; I148-V169 HydrophobicContact CG1-CG2 4.19Å; Q167-V169 HydrophobicContact CG-CG1 3.94Å; V169-N174 CarbonylContact C-O 3.51Å; V169-N174 VanDerWaalsContact CA-O 3.24Å; V169-N174 WeakPolarHBondContact CA-O 3.34Å
170D96.2Very high93Very high28 Ų2837 Ų3715%0.1519%0.191CC..  trans-80.4-176.5172.769.617.8000112.8G144 Q172 N173 N174 L176G144-D170 CarbonylContact O-C 3.57Å; D170-Q172 PolarHBondContact O-N 3.45Å; D170-Q172 VanDerWaalsContact OD1-C 3.3Å; D170-Q172 VanDerWaalsContact OD1-CA 3.3Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.3Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.3Å; D170-Q172 PolarHBondContact OD1-N 3.41Å; D170-Q172 PolarHBondContact OD2-OE1 2.99Å; D170-N173 PolarHBondContact O-N 2.91Å; D170-N173 VanDerWaalsContact O-N 3.08Å; D170-N173 PolarHBondContact OD1-N 3.04Å; D170-N174 PolarHBondContact N-O 2.8Å; D170-N174 PolarHBondContact OD1-N 3.27Å; D170-N174 PolarHBondContact OD1-ND2 3.37Å; D170-N174 VanDerWaalsContact OD2-CB 3.3Å; D170-N174 WeakPolarHBondContact OD2-CB 3.24Å; D170-N174 PolarHBondContact OD2-ND2 2.94Å; D170-L176 HydrophobicContact CB-CD1 4.08Å; D170-L176 HydrophobicContact CB-CD2 4.32Å; D170-L176 HydrophobicContact CB-CG 4.32Å
171E94.8Very high94.2Very high106 Ų10635.5 Ų35.550%0.49518%0.18SC..THydrogen-bonded Turntrans-65.7-22.4178.9-62.4-178.5123.500113.1G144 N173 R413G144-E171 VanDerWaalsContact O-CG 3.26Å; G144-E171 WeakPolarHBondContact O-CG 3.21Å; G144-E171 PolarHBondContact O-N 3.22Å; E171-N173 VanDerWaalsContact C-N 3.34Å; E171-R413 VanDerWaalsContact CD-NH1 3.35Å; E171-R413 VanDerWaalsContact CD-NH2 3.34Å; E171-R413 IonicContact OE1-CZ 3.58Å; E171-R413 IonicContact OE1-NH1 3.51Å; E171-R413 PolarHBondContact OE1-NH1 3.08Å; E171-R413 IonicContact OE1-NH2 2.79Å; E171-R413 IonicContact OE2-CZ 3.64Å; E171-R413 IonicContact OE2-NH1 2.69Å; E171-R413 IonicContact OE2-NH2 3.71Å; E171-R413 PolarHBondContact OE2-NH2 3.27Å
172Q96.2Very high94.8Very high125 Ų12533.4 Ų33.458%0.58417%0.166SC*.THydrogen-bonded Turntrans-913.7176-62.979.236.400112.6D170 N174D170-Q172 PolarHBondContact O-N 3.45Å; D170-Q172 VanDerWaalsContact OD1-C 3.3Å; D170-Q172 VanDerWaalsContact OD1-CA 3.3Å; D170-Q172 WeakPolarHBondContact OD1-CA 3.3Å; D170-Q172 WeakPolarHBondContact OD1-CB 3.3Å; D170-Q172 PolarHBondContact OD1-N 3.41Å; D170-Q172 PolarHBondContact OD2-OE1 2.99Å; Q172-N174 VanDerWaalsContact C-N 3.28Å
173N95.6Very high95.1Very high107 Ų10733.4 Ų33.457%0.57217%0.166SC*.  trans66.121-172.9-53.4-81000114.4R146 D170 E171R146-N173 PolarHBondContact NH2-OD1 2.84Å; D170-N173 PolarHBondContact O-N 2.91Å; D170-N173 VanDerWaalsContact O-N 3.08Å; D170-N173 PolarHBondContact OD1-N 3.04Å; E171-N173 VanDerWaalsContact C-N 3.34Å
174N95.1Very high95.1Very high92 Ų9232.8 Ų32.849%0.49216%0.162SC..  trans-74.8139.1168.7-50.4-62.9000109.4V169 D170 Q172V169-N174 CarbonylContact C-O 3.51Å; V169-N174 VanDerWaalsContact CA-O 3.24Å; V169-N174 WeakPolarHBondContact CA-O 3.34Å; D170-N174 PolarHBondContact N-O 2.8Å; D170-N174 PolarHBondContact OD1-N 3.27Å; D170-N174 PolarHBondContact OD1-ND2 3.37Å; D170-N174 VanDerWaalsContact OD2-CB 3.3Å; D170-N174 WeakPolarHBondContact OD2-CB 3.24Å; D170-N174 PolarHBondContact OD2-ND2 2.94Å; Q172-N174 VanDerWaalsContact C-N 3.28Å
175E95.9Very high94.9Very high102 Ų10237.5 Ų37.548%0.47719%0.186SC..EExtended strand (participates in β ladder)trans-68.1134.6175.7-59.5-176.2-173.600111.1Q167 M211Q167-E175 VanDerWaalsContact NE2-CG 3.3Å; Q167-E175 PolarHBondContact NE2-OE1 3.47Å; E175-M211 HydrophobicContact CB-CE 3.57Å; E175-M211 HydrophobicContact CB-SD 4.41Å; E175-M211 WeakPolarHBondContact O-CE 3.47Å
176L96.4Very high94.5Very high21 Ų2138.7 Ų38.711%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-112.9-26.2177.5-59.2-179.5000112.7V145 A168 D170 P212 I252V145-L176 HydrophobicContact CB-CD1 4.46Å; V145-L176 HydrophobicContact CG1-CD1 4.11Å; V145-L176 HydrophobicContact CG2-CD1 3.61Å; A168-L176 HydrophobicContact CB-CB 4.21Å; A168-L176 PolarHBondContact O-N 3.13Å; D170-L176 HydrophobicContact CB-CD1 4.08Å; D170-L176 HydrophobicContact CB-CD2 4.32Å; D170-L176 HydrophobicContact CB-CG 4.32Å; L176-P212 VanDerWaalsContact O-CD 3.28Å; L176-P212 WeakPolarHBondContact O-CD 3.32Å; L176-P212 VanDerWaalsContact O-CG 3.26Å; L176-P212 WeakPolarHBondContact O-CG 3.46Å; L176-I252 HydrophobicContact CB-CG2 3.69Å; L176-I252 HydrophobicContact CD1-CG2 4.41Å
177G96.7Very high93.9Very high1 Ų144.7 Ų44.71%0.0123%0.229CC..EExtended strand (participates in β ladder)trans169176.1176.600000114A168 M211 P212A168-G177 PolarHBondContact N-O 3.48Å; A168-G177 PolarHBondContact O-N 2.84Å; G177-M211 PolarHBondContact N-SD 3.34Å; G177-M211 VanDerWaalsContact N-SD 3.38Å; G177-P212 WeakPolarHBondContact CA-O 3.21Å
178V96.9Very high93.3Very high20 Ų2050.8 Ų50.812%0.12126%0.257CS..EExtended strand (participates in β ladder)trans-118.4134.6173.8179.80000109.5K165 L166 Y180 P212 I213 L214K165-V178 HydrophobicContact CG-CG1 4.06Å; L166-V178 CarbonylContact O-C 3.57Å; L166-V178 WeakPolarHBondContact O-CA 3.34Å; V178-Y180 HydrophobicContact CG1-CD2 4.35Å; V178-Y180 HydrophobicContact CG1-CE2 3.85Å; V178-P212 PolarHBondContact N-O 3.17Å; V178-I213 WeakPolarHBondContact O-CA 3.4Å; V178-L214 PolarHBondContact O-N 2.73Å
179I96.6Very high92.7Very high1 Ų152.1 Ų52.11%0.00526%0.263CS..EExtended strand (participates in β ladder)trans-121122.3175.7-48175.7000107.9L147 L166 V181 L214 A248 I252L147-I179 HydrophobicContact CD2-CD1 3.91Å; L166-I179 HydrophobicContact CB-CB 4.23Å; L166-I179 WeakPolarHBondContact CB-O 3.4Å; L166-I179 HydrophobicContact CD1-CB 4.43Å; L166-I179 PolarHBondContact N-O 2.9Å; L166-I179 PolarHBondContact O-N 3.48Å; I179-V181 HydrophobicContact CG2-CG2 4.11Å; I179-L214 HydrophobicContact CG1-CD1 4.29Å; I179-A248 HydrophobicContact CD1-CB 4.24Å; I179-I252 HydrophobicContact CD1-CD1 4.28Å; I179-I252 HydrophobicContact CD1-CG1 4.03Å; I179-I252 HydrophobicContact CG1-CD1 3.96Å; I179-I252 HydrophobicContact CG1-CG1 4.24Å
180Y95.1Very high91.7Very high26 Ų2654.8 Ų54.810%0.10229%0.285CS..EExtended strand (participates in β ladder)trans-93.4134164.8-63.7-83.5000108.7L152 E156 M157 M164 K165 V178 I213 L214 V215 L216L152-Y180 HydrophobicContact CD2-CD1 4.25Å; L152-Y180 HydrophobicContact CD2-CE1 3.97Å; E156-Y180 HydrophobicContact CG-CE1 4.09Å; E156-Y180 WeakPolarHBondContact CG-OH 3.45Å; E156-Y180 PolarHBondContact OE1-OH 3.45Å; M157-Y180 HydrophobicContact CE-CD1 4.23Å; M157-Y180 HydrophobicContact CE-CG 4.35Å; M157-Y180 HydrophobicContact CG-CD1 3.86Å; M157-Y180 HydrophobicContact CG-CE1 3.91Å; M157-Y180 HydrophobicContact SD-CD1 3.68Å; M157-Y180 HydrophobicContact SD-CE1 3.95Å; M157-Y180 HydrophobicContact SD-CG 4.05Å; M164-Y180 WeakPolarHBondContact O-CA 3.31Å; K165-Y180 HydrophobicContact CB-CD1 4.03Å; K165-Y180 HydrophobicContact CB-CE1 3.92Å; K165-Y180 HydrophobicContact CD-CE1 3.98Å; K165-Y180 HydrophobicContact CG-CD1 4.28Å; K165-Y180 HydrophobicContact CG-CE1 3.84Å; V178-Y180 HydrophobicContact CG1-CD2 4.35Å; V178-Y180 HydrophobicContact CG1-CE2 3.85Å; Y180-I213 HydrophobicContact CD2-CG2 4.03Å; Y180-I213 HydrophobicContact CE2-CG2 3.65Å; Y180-L214 PolarHBondContact N-O 3.27Å; Y180-V215 HydrophobicContact CD2-CG2 4.35Å; Y180-V215 CarbonylContact O-C 3.56Å; Y180-V215 WeakPolarHBondContact O-CA 3.4Å; Y180-L216 PolarHBondContact O-N 3.06Å
181V93.9Very high90.7Very high1 Ų160.7 Ų60.71%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-116.6119.7175.2-178.10000107.7F128 V163 M164 L166 I179 V183 L216 L218F128-V181 HydrophobicContact CE2-CG1 4.27Å; F128-V181 HydrophobicContact CZ-CG1 4.23Å; V163-V181 CarbonylContact C-O 3.51Å; V163-V181 VanDerWaalsContact CA-O 3.27Å; V163-V181 WeakPolarHBondContact CA-O 3.36Å; M164-V181 HydrophobicContact CG-CB 3.89Å; M164-V181 HydrophobicContact CG-CG2 4.49Å; M164-V181 PolarHBondContact N-O 2.82Å; M164-V181 PolarHBondContact O-N 2.88Å; L166-V181 HydrophobicContact CD1-CG2 3.64Å; I179-V181 HydrophobicContact CG2-CG2 4.11Å; V181-V183 HydrophobicContact CG1-CG1 3.9Å; V181-L216 HydrophobicContact CB-CB 4.48Å; V181-L216 HydrophobicContact CG1-CB 4.41Å; V181-L216 HydrophobicContact CG1-CD2 4.35Å; V181-L216 HydrophobicContact CG2-CB 4.1Å; V181-L216 HydrophobicContact CG2-CD2 4.34Å; V181-L218 HydrophobicContact CG1-CD1 4.22Å
182D92.4Very high90Very high2 Ų257.6 Ų57.61%0.01132%0.319CS..EExtended strand (participates in β ladder)trans-113.8105.5174.61733.4000108.6W158 G162 V163 S184 R186 K189 L216 L218W158-D182 HydrophobicContact CZ2-CB 3.88Å; W158-D182 WeakPolarHBondContact CZ2-OD2 3.42Å; G162-D182 WeakPolarHBondContact O-CA 3.38Å; V163-D182 HydrophobicContact CG2-CB 4.21Å; D182-S184 PolarHBondContact OD1-N 3.23Å; D182-S184 PolarHBondContact OD1-OG 3.26Å; D182-R186 IonicContact OD1-NH1 2.78Å; D182-R186 PolarHBondContact OD1-NH1 3.05Å; D182-R186 IonicContact OD2-CZ 2.88Å; D182-R186 VanDerWaalsContact OD2-CZ 3.26Å; D182-R186 IonicContact OD2-NH1 3.44Å; D182-R186 PolarHBondContact OD2-NH1 3.26Å; D182-R186 IonicContact OD2-NH2 3.52Å; D182-R186 PolarHBondContact OD2-NH2 2.94Å; D182-K189 PolarHBondContact O-NZ 2.92Å; D182-K189 IonicContact OD1-NZ 2.79Å; D182-K189 PolarHBondContact OD1-NZ 3.18Å; D182-K189 WeakPolarHBondContact OD2-CE 3.23Å; D182-K189 IonicContact OD2-NZ 3.82Å; D182-K189 PolarHBondContact OD2-NZ 3.39Å; D182-L216 PolarHBondContact N-O 3.35Å; D182-L218 PolarHBondContact O-N 3.28Å; D182-L218 VanDerWaalsContact O-O 3.05Å
183V91.6Very high89.7Confident0 Ų054 Ų540%030%0.304CS..EExtended strand (participates in β ladder)trans-94.3-4.2-179.9-63.80000114.2F128 G162 V181 L218 L220 V221 W228F128-V183 HydrophobicContact CD2-CG1 3.69Å; F128-V183 HydrophobicContact CE2-CG1 3.36Å; F128-V183 HydrophobicContact CZ-CG1 4.11Å; G162-V183 VanDerWaalsContact O-CG2 3.24Å; G162-V183 WeakPolarHBondContact O-CG2 3.44Å; G162-V183 PolarHBondContact O-N 3.21Å; V181-V183 HydrophobicContact CG1-CG1 3.9Å; V183-L218 CarbonylContact C-O 3.57Å; V183-L218 WeakPolarHBondContact CA-O 3.35Å; V183-L218 HydrophobicContact CG1-CB 4.34Å; V183-L218 HydrophobicContact CG1-CD1 4.21Å; V183-L218 VanDerWaalsContact O-O 3.11Å; V183-L220 HydrophobicContact CB-CB 4.26Å; V183-L220 HydrophobicContact CB-CD1 4.3Å; V183-L220 HydrophobicContact CG1-CD1 3.95Å; V183-L220 PolarHBondContact O-N 3.02Å; V183-V221 HydrophobicContact CB-CG2 4.19Å; V183-V221 HydrophobicContact CG2-CG2 3.54Å; V183-V221 PolarHBondContact O-N 2.93Å; V183-V221 VanDerWaalsContact O-N 3.11Å; V183-W228 HydrophobicContact CG1-CZ3 4.42Å; V183-W228 HydrophobicContact CG2-CD2 4.1Å; V183-W228 HydrophobicContact CG2-CE3 3.38Å; V183-W228 HydrophobicContact CG2-CH2 4.48Å; V183-W228 HydrophobicContact CG2-CZ3 3.58Å
184S88.4Confident89.4Confident0 Ų050.1 Ų50.10%029%0.285CS..EExtended strand (participates in β ladder)trans-78.2140.3-170.763.10000113D182 R186 K189 V221D182-S184 PolarHBondContact OD1-N 3.23Å; D182-S184 PolarHBondContact OD1-OG 3.26Å; S184-R186 PolarHBondContact OG-NH1 3.14Å; S184-K189 WeakPolarHBondContact O-CD 3.07Å; S184-K189 PolarHBondContact O-NZ 3.17Å; S184-V221 CarbonylContact C-O 3.55Å; S184-V221 WeakPolarHBondContact CA-O 3.45Å
185I87.5Confident89.4Confident101 Ų10147.1 Ų47.152%0.51827%0.267SS..EExtended strand (participates in β ladder)trans-92.7124.9168.9-60167.5000107.7V221 G223I185-V221 PolarHBondContact N-O 3.42Å; I185-G223 PolarHBondContact O-N 2.96Å
186R86.8Confident89.3Confident50 Ų5047.5 Ų47.519%0.18927%0.265CS..  trans-152.3152175.662.6-175.9179.9-75.3-3.5111.4D182 S184 E188 K189D182-R186 IonicContact OD1-NH1 2.78Å; D182-R186 PolarHBondContact OD1-NH1 3.05Å; D182-R186 IonicContact OD2-CZ 2.88Å; D182-R186 VanDerWaalsContact OD2-CZ 3.26Å; D182-R186 IonicContact OD2-NH1 3.44Å; D182-R186 PolarHBondContact OD2-NH1 3.26Å; D182-R186 IonicContact OD2-NH2 3.52Å; D182-R186 PolarHBondContact OD2-NH2 2.94Å; S184-R186 PolarHBondContact OG-NH1 3.14Å; R186-E188 VanDerWaalsContact C-N 3.32Å; R186-E188 PolarHBondContact O-N 3.15Å; R186-K189 HydrophobicContact CG-CB 3.73Å; R186-K189 WeakPolarHBondContact O-CB 3.5Å; R186-K189 PolarHBondContact O-N 2.73Å; R186-K189 VanDerWaalsContact O-N 3.08Å
187P83.6Confident89.2Confident126 Ų12648.4 Ų48.482%0.81827%0.272SS*.THydrogen-bonded Turntrans-56.5-37.9-170.4-27.235.8000115.3
188E83.6Confident89.1Confident154 Ų15453.3 Ų53.372%0.7230%0.301SS*.THydrogen-bonded Turntrans-84.6-3.3-178.946.8-81.5168.800114.9R186R186-E188 VanDerWaalsContact C-N 3.32Å; R186-E188 PolarHBondContact O-N 3.15Å
189K86.2Confident89Confident28 Ų2857 Ų5712%0.12231%0.313CS..SBendtrans-80139.3177.1-170.8-178-176.11720110.1D182 S184 R186 V191 S217 L218D182-K189 PolarHBondContact O-NZ 2.92Å; D182-K189 IonicContact OD1-NZ 2.79Å; D182-K189 PolarHBondContact OD1-NZ 3.18Å; D182-K189 WeakPolarHBondContact OD2-CE 3.23Å; D182-K189 IonicContact OD2-NZ 3.82Å; D182-K189 PolarHBondContact OD2-NZ 3.39Å; S184-K189 WeakPolarHBondContact O-CD 3.07Å; S184-K189 PolarHBondContact O-NZ 3.17Å; R186-K189 HydrophobicContact CG-CB 3.73Å; R186-K189 WeakPolarHBondContact O-CB 3.5Å; R186-K189 PolarHBondContact O-N 2.73Å; R186-K189 VanDerWaalsContact O-N 3.08Å; K189-V191 PolarHBondContact O-N 2.74Å; K189-S217 WeakPolarHBondContact CE-OG 3.27Å; K189-L218 PolarHBondContact NZ-O 2.85Å
190A76.6Confident88.9Confident59 Ų5957.5 Ų57.549%0.48832%0.317SS..PPolyproline II helixtrans-54.6140.7172.600000110.7
191V74.3Confident88.9Confident152 Ų15256.3 Ų56.392%0.92131%0.312SS*.SBendtrans-78.4135.1-180-178.40000109.4K189K189-V191 PolarHBondContact O-N 2.74Å
192G80.8Confident88.9Confident42 Ų4259.1 Ų59.143%0.43332%0.324SS..SBendtrans105.2147.117600000113.3C194G192-C194 PolarHBondContact O-SG 3.15Å; G192-C194 VanDerWaalsContact O-SG 3.35Å
193D89.8Confident89.1Confident50 Ų5062.5 Ų62.527%0.26734%0.34SS..  trans-72.3132.1171.4-64.8-21.8000108.6S217 L218 G219 T240 E244D193-S217 CarbonylContact C-O 3.56Å; D193-S217 VanDerWaalsContact CA-O 3.29Å; D193-S217 WeakPolarHBondContact CA-O 3.41Å; D193-L218 HydrophobicContact CB-CD2 3.93Å; D193-L218 VanDerWaalsContact OD1-CA 3.26Å; D193-L218 WeakPolarHBondContact OD1-CA 3.25Å; D193-G219 PolarHBondContact OD1-N 3.25Å; D193-T240 HydrophobicContact CB-CG2 3.73Å; D193-T240 VanDerWaalsContact OD2-CG2 3.24Å; D193-T240 WeakPolarHBondContact OD2-CG2 3.39Å; D193-E244 HydrophobicContact CB-CG 4.21Å
194C90Very high89.3Confident25 Ų2565.5 Ų65.517%0.16936%0.356CS..EExtended strand (participates in β ladder)trans-163.1149.8-174.847.10000114G192 Y196 S217 E244G192-C194 PolarHBondContact O-SG 3.15Å; G192-C194 VanDerWaalsContact O-SG 3.35Å; C194-Y196 HydrophobicContact CB-CE2 4.16Å; C194-Y196 WeakPolarHBondContact SG-CE2 3.45Å; C194-Y196 PolarHBondContact SG-OH 3.01Å; C194-S217 PolarHBondContact N-O 2.82Å; C194-S217 PolarHBondContact O-N 3.42Å; C194-E244 VanDerWaalsContact CA-OE2 3.24Å; C194-E244 WeakPolarHBondContact CA-OE2 3.28Å
195H94.1Very high89.7Confident28 Ų2872.1 Ų72.113%0.1340%0.402CS..EExtended strand (participates in β ladder)trans-98.7131.4170159.3-87.7000112T197 L216 E244 H247 S251H195-T197 PolarHBondContact CE1-OG1 3.48Å; H195-T197 VanDerWaalsContact CE1-OG1 3.22Å; H195-L216 HydrophobicContact CB-CD1 4.08Å; H195-E244 PolarHBondContact N-OE2 2.96Å; H195-H247 HydrophobicContact CB-CB 3.85Å; H195-S251 PolarHBondContact CE1-OG 2.93Å; H195-S251 PolarHBondContact NE2-OG 2.66Å
196Y93.8Very high90.1Very high110 Ų11072.7 Ų72.743%0.43141%0.406SS..EExtended strand (participates in β ladder)trans-120.1134.2173-60.6-81.2000112C194 L214 V215C194-Y196 HydrophobicContact CB-CE2 4.16Å; C194-Y196 WeakPolarHBondContact SG-CE2 3.45Å; C194-Y196 PolarHBondContact SG-OH 3.01Å; Y196-L214 CarbonylContact O-C 3.58Å; Y196-L214 VanDerWaalsContact O-CA 3.32Å; Y196-L214 WeakPolarHBondContact O-CA 3.45Å; Y196-V215 PolarHBondContact N-O 3.06Å; Y196-V215 PolarHBondContact O-N 3.35Å
197T94.1Very high90.4Very high41 Ų4172.2 Ų72.225%0.25242%0.417SS..EExtended strand (participates in β ladder)trans-94.7105.3169-52.50000110.4H195 R199 C200 L214H195-T197 PolarHBondContact CE1-OG1 3.48Å; H195-T197 VanDerWaalsContact CE1-OG1 3.22Å; T197-R199 WeakPolarHBondContact CG2-O 3.41Å; T197-C200 HydrophobicContact CG2-CB 4.37Å; T197-C200 VanDerWaalsContact CG2-SG 3.52Å; T197-L214 HydrophobicContact CG2-CD2 3.78Å
198V94.6Very high90.9Very high103 Ų10369.5 Ų69.562%0.62440%0.398SS*.EExtended strand (participates in β ladder)trans-74.7-42.8175.7179.20000110.7I213 V215V198-I213 HydrophobicContact CB-CB 4.38Å; V198-I213 HydrophobicContact CB-CG2 4.18Å; V198-I213 PolarHBondContact N-O 3.19Å; V198-V215 HydrophobicContact CG2-CG2 3.62Å
199R95.3Very high91.4Very high97 Ų9766.8 Ų66.837%0.36638%0.381SS..EExtended strand (participates in β ladder)trans-133.5123.8176.6-168.3170.670.4-172.7-1.8109.4T197 Q210 M211 P212 I213T197-R199 WeakPolarHBondContact CG2-O 3.41Å; R199-Q210 HydrophobicContact CG-CG 4.06Å; R199-Q210 VanDerWaalsContact CG-NE2 3.28Å; R199-M211 PolarHBondContact NE-O 3.23Å; R199-M211 PolarHBondContact NH2-O 2.99Å; R199-P212 CarbonylContact O-C 3.58Å; R199-P212 WeakPolarHBondContact O-CA 3.5Å; R199-I213 HydrophobicContact CB-CB 3.88Å; R199-I213 HydrophobicContact CB-CD1 4.26Å; R199-I213 HydrophobicContact CB-CG1 4.07Å; R199-I213 VanDerWaalsContact CZ-CD1 3.43Å; R199-I213 PolarHBondContact N-O 2.86Å; R199-I213 PolarHBondContact O-N 2.89Å
200C94.8Very high91.9Very high12 Ų1267.3 Ų67.38%0.08138%0.384CS..  trans-81157.4175.8-61.70000111.1T197 Q210 Q259 A262 R265T197-C200 HydrophobicContact CG2-CB 4.37Å; T197-C200 VanDerWaalsContact CG2-SG 3.52Å; C200-Q210 PolarHBondContact O-NE2 3.4Å; C200-Q259 HydrophobicContact CB-CB 3.92Å; C200-A262 HydrophobicContact CB-CB 4.2Å; C200-R265 PolarHBondContact SG-NE 3.37Å
201S94.1Very high92.8Very high2 Ų266.1 Ų66.11%0.01437%0.369CS..  trans-71.9146.6165.5-164.90000111.1Q210 Q259 A262S201-Q210 WeakPolarHBondContact CA-O 3.45Å; S201-Q210 PolarHBondContact OG-O 3.38Å; S201-Q210 VanDerWaalsContact OG-O 3.13Å; S201-Q259 WeakPolarHBondContact O-CA 3.48Å; S201-A262 WeakPolarHBondContact O-CB 3.23Å
202K95.7Very high93.8Very high60 Ų6058.9 Ų58.926%0.26133%0.325SS..EExtended strand (participates in β ladder)trans-161.1160.2167.868.3-177.5-175.6-166.50110.6L204 Q210 T256 Q259K202-L204 HydrophobicContact CG-CD2 4.34Å; K202-Q210 VanDerWaalsContact CE-OE1 3.26Å; K202-Q210 HydrophobicContact CG-CB 3.85Å; K202-Q210 PolarHBondContact O-N 3Å; K202-T256 WeakPolarHBondContact CA-O 3.45Å; K202-Q259 HydrophobicContact CB-CB 4.11Å; K202-Q259 HydrophobicContact CD-CB 4.29Å
203Q96.2Very high94.6Very high73 Ų7358.5 Ų58.534%0.34131%0.313SS..EExtended strand (participates in β ladder)trans-79.2135.1166.3-164.8174.233.600110W209 K257Q203-W209 HydrophobicContact CB-CZ2 4.5Å; Q203-K257 HydrophobicContact CB-CG 4.02Å; Q203-K257 PolarHBondContact N-O 3.05Å; Q203-K257 VanDerWaalsContact N-O 3.11Å
204L96.2Very high94.9Very high63 Ų6356.1 Ų56.133%0.3330%0.3SS..  trans-88.1164.8174.5-61.7-179000110.6K202 D206 G207 T208 Q210K202-L204 HydrophobicContact CG-CD2 4.34Å; L204-D206 WeakPolarHBondContact CB-OD1 3.46Å; L204-D206 PolarHBondContact O-N 3.28Å; L204-G207 PolarHBondContact O-N 3.37Å; L204-T208 PolarHBondContact N-O 2.96Å; L204-Q210 HydrophobicContact CD2-CB 4.25Å; L204-Q210 HydrophobicContact CG-CB 4.45Å
205S95.1Very high95.1Very high139 Ų13955.9 Ų55.997%0.97230%0.298SS*.THydrogen-bonded Turntrans-64.2-24.1-176.651.90000113.9G207S205-G207 VanDerWaalsContact C-N 3.26Å
206D96.1Very high95.1Very high112 Ų11254.7 Ų54.760%0.59929%0.292SS*.THydrogen-bonded Turntrans-84.22175.963.23.9000113.1L204 T208L204-D206 WeakPolarHBondContact CB-OD1 3.46Å; L204-D206 PolarHBondContact O-N 3.28Å; D206-T208 VanDerWaalsContact C-N 3.32Å; D206-T208 WeakPolarHBondContact OD1-CB 3.22Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.45Å; D206-T208 PolarHBondContact OD1-N 3.08Å; D206-T208 PolarHBondContact OD1-OG1 3.36Å; D206-T208 PolarHBondContact OD2-OG1 2.9Å
207G93.5Very high95.1Very high40 Ų4049.8 Ų49.841%0.41227%0.274SS..SBendtrans87.5-8.5-178.800000114.6L204 S205L204-G207 PolarHBondContact O-N 3.37Å; S205-G207 VanDerWaalsContact C-N 3.26Å
208T94.6Very high95Very high70 Ų7047.9 Ų47.943%0.42926%0.262SS..  trans-75.4174175.170.50000111.6L204 D206L204-T208 PolarHBondContact N-O 2.96Å; D206-T208 VanDerWaalsContact C-N 3.32Å; D206-T208 WeakPolarHBondContact OD1-CB 3.22Å; D206-T208 WeakPolarHBondContact OD1-CG2 3.45Å; D206-T208 PolarHBondContact OD1-N 3.08Å; D206-T208 PolarHBondContact OD1-OG1 3.36Å; D206-T208 PolarHBondContact OD2-OG1 2.9Å
209W94.8Very high94.7Very high97 Ų9744.8 Ų44.837%0.36725%0.251SS..EExtended strand (participates in β ladder)trans-115.2135.2-176.9-75.986.3000112.1Q203 R255 T256Q203-W209 HydrophobicContact CB-CZ2 4.5Å; W209-R255 VanDerWaalsContact CG-NH2 3.31Å; W209-R255 HydrophobicContact CZ3-CB 4.13Å; W209-T256 WeakPolarHBondContact CZ3-O 3.41Å
210Q95.6Very high94.2Very high39 Ų3941.5 Ų41.518%0.18224%0.241CC..EExtended strand (participates in β ladder)trans-75.1127166.1-172.5175.8-80.600109.6R199 C200 S201 K202 L204R199-Q210 HydrophobicContact CG-CG 4.06Å; R199-Q210 VanDerWaalsContact CG-NE2 3.28Å; C200-Q210 PolarHBondContact O-NE2 3.4Å; S201-Q210 WeakPolarHBondContact CA-O 3.45Å; S201-Q210 PolarHBondContact OG-O 3.38Å; S201-Q210 VanDerWaalsContact OG-O 3.13Å; K202-Q210 VanDerWaalsContact CE-OE1 3.26Å; K202-Q210 HydrophobicContact CG-CB 3.85Å; K202-Q210 PolarHBondContact O-N 3Å; L204-Q210 HydrophobicContact CD2-CB 4.25Å; L204-Q210 HydrophobicContact CG-CB 4.45Å
211M94.6Very high93.6Very high33 Ų3341.2 Ų41.216%0.16324%0.239CC..PPolyproline II helixtrans-78.9131.8-179.7-1656369.400111.4E175 G177 R199E175-M211 HydrophobicContact CB-CE 3.57Å; E175-M211 HydrophobicContact CB-SD 4.41Å; E175-M211 WeakPolarHBondContact O-CE 3.47Å; G177-M211 PolarHBondContact N-SD 3.34Å; G177-M211 VanDerWaalsContact N-SD 3.38Å; R199-M211 PolarHBondContact NE-O 3.23Å; R199-M211 PolarHBondContact NH2-O 2.99Å
212P96.7Very high92.7Very high1 Ų145.9 Ų45.91%0.00626%0.264CS..PPolyproline II helixtrans-67.5147.5176.427.4-32.9000112.4L176 G177 V178 R199 L214 I252L176-P212 VanDerWaalsContact O-CD 3.28Å; L176-P212 WeakPolarHBondContact O-CD 3.32Å; L176-P212 VanDerWaalsContact O-CG 3.26Å; L176-P212 WeakPolarHBondContact O-CG 3.46Å; G177-P212 WeakPolarHBondContact CA-O 3.21Å; V178-P212 PolarHBondContact N-O 3.17Å; R199-P212 CarbonylContact O-C 3.58Å; R199-P212 WeakPolarHBondContact O-CA 3.5Å; P212-L214 HydrophobicContact CB-CD2 4.48Å; P212-I252 HydrophobicContact CG-CD1 4.29Å
213I96.6Very high91.2Very high34 Ų3443.3 Ų43.317%0.17425%0.254CS..EExtended strand (participates in β ladder)trans-128.8124.6172.1-59.3175.2000107.8V178 Y180 V198 R199V178-I213 WeakPolarHBondContact O-CA 3.4Å; Y180-I213 HydrophobicContact CD2-CG2 4.03Å; Y180-I213 HydrophobicContact CE2-CG2 3.65Å; V198-I213 HydrophobicContact CB-CB 4.38Å; V198-I213 HydrophobicContact CB-CG2 4.18Å; V198-I213 PolarHBondContact N-O 3.19Å; R199-I213 HydrophobicContact CB-CB 3.88Å; R199-I213 HydrophobicContact CB-CD1 4.26Å; R199-I213 HydrophobicContact CB-CG1 4.07Å; R199-I213 VanDerWaalsContact CZ-CD1 3.43Å; R199-I213 PolarHBondContact N-O 2.86Å; R199-I213 PolarHBondContact O-N 2.89Å
214L95.9Very high89.9Confident0 Ų047.7 Ų47.70%027%0.274CS..EExtended strand (participates in β ladder)trans-123.3153.4-173.7-45.9178.1000110.6V178 I179 Y180 Y196 T197 P212 A248 I252V178-L214 PolarHBondContact O-N 2.73Å; I179-L214 HydrophobicContact CG1-CD1 4.29Å; Y180-L214 PolarHBondContact N-O 3.27Å; Y196-L214 CarbonylContact O-C 3.58Å; Y196-L214 VanDerWaalsContact O-CA 3.32Å; Y196-L214 WeakPolarHBondContact O-CA 3.45Å; T197-L214 HydrophobicContact CG2-CD2 3.78Å; P212-L214 HydrophobicContact CB-CD2 4.48Å; L214-A248 HydrophobicContact CD1-CB 4.27Å; L214-A248 WeakPolarHBondContact CD1-O 3.21Å; L214-I252 HydrophobicContact CD1-CD1 3.75Å; L214-I252 HydrophobicContact CD1-CG1 3.77Å; L214-I252 HydrophobicContact CG-CD1 4.41Å
215V94.6Very high89Confident20 Ų2046.4 Ų46.412%0.12127%0.271CS..EExtended strand (participates in β ladder)trans-126.4123.1170.5177.10000108Y180 Y196 V198Y180-V215 HydrophobicContact CD2-CG2 4.35Å; Y180-V215 CarbonylContact O-C 3.56Å; Y180-V215 WeakPolarHBondContact O-CA 3.4Å; Y196-V215 PolarHBondContact N-O 3.06Å; Y196-V215 PolarHBondContact O-N 3.35Å; V198-V215 HydrophobicContact CG2-CG2 3.62Å
216L94.4Very high88.2Confident2 Ų244.7 Ų44.71%0.0126%0.259CS..EExtended strand (participates in β ladder)trans-96.4113.2168.2-154.970.7000108.2Y180 V181 D182 H195 L218 E244 L245Y180-L216 PolarHBondContact O-N 3.06Å; V181-L216 HydrophobicContact CB-CB 4.48Å; V181-L216 HydrophobicContact CG1-CB 4.41Å; V181-L216 HydrophobicContact CG1-CD2 4.35Å; V181-L216 HydrophobicContact CG2-CB 4.1Å; V181-L216 HydrophobicContact CG2-CD2 4.34Å; D182-L216 PolarHBondContact N-O 3.35Å; H195-L216 HydrophobicContact CB-CD1 4.08Å; L216-L218 HydrophobicContact CD2-CD1 3.75Å; L216-L218 HydrophobicContact CD2-CD2 4.38Å; L216-L218 HydrophobicContact CD2-CG 4.14Å; L216-L218 HydrophobicContact CG-CD1 4.26Å; L216-L218 HydrophobicContact CG-CD2 4.26Å; L216-L218 HydrophobicContact CG-CG 4.09Å; L216-E244 HydrophobicContact CD1-CB 3.56Å; L216-E244 WeakPolarHBondContact CD1-O 3.15Å; L216-E244 HydrophobicContact CD2-CB 4.43Å; L216-E244 HydrophobicContact CG-CB 4.22Å; L216-L245 HydrophobicContact CD2-CD2 3.61Å; L216-L245 HydrophobicContact CD2-CG 3.8Å
217S93.1Very high87.6Confident7 Ų746.1 Ų46.15%0.04926%0.262CS..EExtended strand (participates in β ladder)trans-102.5111.1178.4169.90000108.5K189 D193 C194K189-S217 WeakPolarHBondContact CE-OG 3.27Å; D193-S217 CarbonylContact C-O 3.56Å; D193-S217 VanDerWaalsContact CA-O 3.29Å; D193-S217 WeakPolarHBondContact CA-O 3.41Å; C194-S217 PolarHBondContact N-O 2.82Å; C194-S217 PolarHBondContact O-N 3.42Å
218L91.7Very high87.3Confident1 Ų144.8 Ų44.81%0.00524%0.244CC..EExtended strand (participates in β ladder)trans-122.6145-179.7-56.7170.8000111.1V181 D182 V183 K189 D193 L216 L220 M241 E244V181-L218 HydrophobicContact CG1-CD1 4.22Å; D182-L218 PolarHBondContact O-N 3.28Å; D182-L218 VanDerWaalsContact O-O 3.05Å; V183-L218 CarbonylContact C-O 3.57Å; V183-L218 WeakPolarHBondContact CA-O 3.35Å; V183-L218 HydrophobicContact CG1-CB 4.34Å; V183-L218 HydrophobicContact CG1-CD1 4.21Å; V183-L218 VanDerWaalsContact O-O 3.11Å; K189-L218 PolarHBondContact NZ-O 2.85Å; D193-L218 HydrophobicContact CB-CD2 3.93Å; D193-L218 VanDerWaalsContact OD1-CA 3.26Å; D193-L218 WeakPolarHBondContact OD1-CA 3.25Å; L216-L218 HydrophobicContact CD2-CD1 3.75Å; L216-L218 HydrophobicContact CD2-CD2 4.38Å; L216-L218 HydrophobicContact CD2-CG 4.14Å; L216-L218 HydrophobicContact CG-CD1 4.26Å; L216-L218 HydrophobicContact CG-CD2 4.26Å; L216-L218 HydrophobicContact CG-CG 4.09Å; L218-L220 HydrophobicContact CB-CD1 4.22Å; L218-L220 HydrophobicContact CB-CG 4.05Å; L218-L220 HydrophobicContact CD1-CD1 4.17Å; L218-M241 HydrophobicContact CD1-CG 3.9Å; L218-E244 HydrophobicContact CD2-CB 4.18Å; L218-E244 HydrophobicContact CD2-CG 4.03Å
219G89.3Confident87.1Confident38 Ų3845.1 Ų45.139%0.39224%0.237SC..EExtended strand (participates in β ladder)trans-104.770.8178.100000112.9D193D193-G219 PolarHBondContact OD1-N 3.25Å
220L85.1Confident86.8Confident28 Ų2845 Ų4515%0.14724%0.244CC..EExtended strand (participates in β ladder)trans-108.8-34.5-170.8-57.8177.6000114.7F128 V183 L218 V233 M241F128-L220 HydrophobicContact CD2-CD1 4.06Å; V183-L220 HydrophobicContact CB-CB 4.26Å; V183-L220 HydrophobicContact CB-CD1 4.3Å; V183-L220 HydrophobicContact CG1-CD1 3.95Å; V183-L220 PolarHBondContact O-N 3.02Å; L218-L220 HydrophobicContact CB-CD1 4.22Å; L218-L220 HydrophobicContact CB-CG 4.05Å; L218-L220 HydrophobicContact CD1-CD1 4.17Å; L220-V233 HydrophobicContact CD2-CG1 4.43Å; L220-M241 HydrophobicContact CD1-CE 4.32Å; L220-M241 HydrophobicContact CD1-CG 4.01Å; L220-M241 HydrophobicContact CD1-SD 3.47Å; L220-M241 WeakPolarHBondContact CD1-SD 3.45Å
221V82.6Confident86.6Confident7 Ų744.6 Ų44.64%0.04225%0.246CC..EExtended strand (participates in β ladder)trans-137.5152.2-167.8-54.80000111.4V183 S184 I185 G223 W228V183-V221 HydrophobicContact CB-CG2 4.19Å; V183-V221 HydrophobicContact CG2-CG2 3.54Å; V183-V221 PolarHBondContact O-N 2.93Å; V183-V221 VanDerWaalsContact O-N 3.11Å; S184-V221 CarbonylContact C-O 3.55Å; S184-V221 WeakPolarHBondContact CA-O 3.45Å; I185-V221 PolarHBondContact N-O 3.42Å; V221-G223 PolarHBondContact O-N 3.36Å; V221-W228 HydrophobicContact CB-CB 4.21Å; V221-W228 HydrophobicContact CG1-CB 4.33Å; V221-W228 HydrophobicContact CG2-CB 3.71Å
222D75.1Confident86.4Confident99 Ų9949.7 Ų49.753%0.52926%0.263SS..EExtended strand (participates in β ladder)trans-58.8125.4167.8-175.6-23.3000109.8H224 S225D222-H224 PolarHBondContact O-N 3.28Å; D222-H224 IonicContact OD1-CD2 3.8Å; D222-H224 PolarHBondContact OD1-CD2 2.92Å; D222-H224 IonicContact OD1-CG 2.75Å; D222-H224 PolarHBondContact OD1-N 3.26Å; D222-S225 WeakPolarHBondContact O-CB 3.16Å; D222-S225 PolarHBondContact O-N 2.92Å
223G63.5Low86.2Confident6 Ų649.9 Ų49.96%0.06226%0.264CS..THydrogen-bonded Turntrans-63.6-7.5-179.100000115.9S161 I185 V221S161-G223 VanDerWaalsContact CB-O 3.29Å; S161-G223 WeakPolarHBondContact CB-O 3.23Å; S161-G223 PolarHBondContact N-O 3.09Å; I185-G223 PolarHBondContact O-N 2.96Å; V221-G223 PolarHBondContact O-N 3.36Å
224H69.3Low86Confident166 Ų16650.7 Ų50.777%0.76927%0.273SS*.THydrogen-bonded Turntrans-96.4-9.1172.7-59.9-62.2000113.7D222 S226D222-H224 PolarHBondContact O-N 3.28Å; D222-H224 IonicContact OD1-CD2 3.8Å; D222-H224 PolarHBondContact OD1-CD2 2.92Å; D222-H224 IonicContact OD1-CG 2.75Å; D222-H224 PolarHBondContact OD1-N 3.26Å; H224-S226 PolarHBondContact O-N 3.38Å
225S77.3Confident85.9Confident36 Ų3652 Ų5225%0.25228%0.278SS..  trans-70.4117.3-179.1-178.20000111.8S161 D222 Q227S161-S225 WeakPolarHBondContact CB-O 3.15Å; D222-S225 WeakPolarHBondContact O-CB 3.16Å; D222-S225 PolarHBondContact O-N 2.92Å; S225-Q227 PolarHBondContact O-N 2.78Å; S225-Q227 PolarHBondContact OG-N 2.88Å
226S77.6Confident85.8Confident103 Ų10356.2 Ų56.272%0.7230%0.297SS*.THydrogen-bonded Turntrans-72.5-15.1173.158.40000113.2H224H224-S226 PolarHBondContact O-N 3.38Å
227Q84.4Confident85.7Confident142 Ų14257.6 Ų57.666%0.66431%0.307SS*.THydrogen-bonded Turntrans-107.222.1-178.2-61.8-170.91.400113.4S225 R229 N230S225-Q227 PolarHBondContact O-N 2.78Å; S225-Q227 PolarHBondContact OG-N 2.88Å; Q227-R229 PolarHBondContact O-N 3.18Å; Q227-N230 PolarHBondContact O-N 3.15Å
228W87.4Confident85.8Confident11 Ų1157.3 Ų57.34%0.04230%0.304CS..G310 helixtrans-53.9-28.5-175.367.6-95.1000115.1F128 M164 V183 V221 N230 S231F128-W228 AromaticContact CD1-CE3 4Å; F128-W228 HydrophobicContact CD1-CE3 4Å; F128-W228 HydrophobicContact CD1-CH2 4.4Å; F128-W228 AromaticContact CD1-CZ3 3.47Å; F128-W228 HydrophobicContact CD1-CZ3 3.47Å; F128-W228 VanDerWaalsContact CD1-CZ3 3.47Å; F128-W228 HydrophobicContact CD2-CZ3 4.46Å; F128-W228 HydrophobicContact CE1-CE3 4.3Å; F128-W228 AromaticContact CE1-CH2 3.93Å; F128-W228 HydrophobicContact CE1-CH2 3.93Å; F128-W228 AromaticContact CE1-CZ3 3.33Å; F128-W228 HydrophobicContact CE1-CZ3 3.33Å; F128-W228 HydrophobicContact CE2-CZ3 4.34Å; F128-W228 HydrophobicContact CG-CE3 4.32Å; F128-W228 HydrophobicContact CG-CZ3 4.06Å; F128-W228 HydrophobicContact CZ-CH2 4.4Å; F128-W228 AromaticContact CZ-CZ3 3.79Å; F128-W228 HydrophobicContact CZ-CZ3 3.79Å; M164-W228 HydrophobicContact CB-CH2 4.07Å; M164-W228 HydrophobicContact CB-CZ2 4.4Å; M164-W228 HydrophobicContact CG-CH2 4.08Å; M164-W228 HydrophobicContact SD-CH2 3.77Å; M164-W228 HydrophobicContact SD-CZ3 4.41Å; V183-W228 HydrophobicContact CG1-CZ3 4.42Å; V183-W228 HydrophobicContact CG2-CD2 4.1Å; V183-W228 HydrophobicContact CG2-CE3 3.38Å; V183-W228 HydrophobicContact CG2-CH2 4.48Å; V183-W228 HydrophobicContact CG2-CZ3 3.58Å; V221-W228 HydrophobicContact CB-CB 4.21Å; V221-W228 HydrophobicContact CG1-CB 4.33Å; V221-W228 HydrophobicContact CG2-CB 3.71Å; W228-N230 PolarHBondContact O-N 3.05Å; W228-S231 WeakPolarHBondContact CA-OG 3.2Å; W228-S231 VanDerWaalsContact O-CB 3.28Å; W228-S231 WeakPolarHBondContact O-CB 3.33Å; W228-S231 PolarHBondContact O-N 3.27Å; W228-S231 VanDerWaalsContact O-N 3.12Å; W228-S231 PolarHBondContact O-OG 3.14Å
229R89.1Confident86Confident77 Ų7757.5 Ų57.529%0.29131%0.305SS..G310 helixtrans-61.7-29.7177.6-78.8-175.7176.175.2-2113.8N129 E149 Q227N129-R229 WeakPolarHBondContact CB-O 3.32Å; N129-R229 PolarHBondContact N-O 3.22Å; E149-R229 IonicContact OE1-CZ 3.16Å; E149-R229 IonicContact OE1-NH2 2.97Å; E149-R229 PolarHBondContact OE1-NH2 2.7Å; E149-R229 IonicContact OE2-NH2 2.64Å; Q227-R229 PolarHBondContact O-N 3.18Å
230N90Very high86.3Confident94 Ų9457 Ų5750%0.50330%0.295SS..G310 helixtrans-102.96.9178.3-64.4-29.7000112.2Q227 W228 R232Q227-N230 PolarHBondContact O-N 3.15Å; W228-N230 PolarHBondContact O-N 3.05Å; N230-R232 PolarHBondContact O-N 3.45Å
231S90.3Very high86.8Confident31 Ų3155.7 Ų55.722%0.21729%0.288CS..  trans-63137.4176.5-71.10000110.4T127 F128 W228T127-S231 VanDerWaalsContact CA-O 3.31Å; T127-S231 WeakPolarHBondContact CA-O 3.33Å; F128-S231 PolarHBondContact N-O 3.1Å; F128-S231 VanDerWaalsContact N-O 3.14Å; W228-S231 WeakPolarHBondContact CA-OG 3.2Å; W228-S231 VanDerWaalsContact O-CB 3.28Å; W228-S231 WeakPolarHBondContact O-CB 3.33Å; W228-S231 PolarHBondContact O-N 3.27Å; W228-S231 VanDerWaalsContact O-N 3.12Å; W228-S231 PolarHBondContact O-OG 3.14Å
232R91.3Very high87.5Confident141 Ų14155.4 Ų55.453%0.53229%0.286SS..BIsolated β-bridgetrans-62.4135176.2-174.5179.9-175.6-114.3-1.4109.8S119 S123 F126 N230S119-R232 PolarHBondContact O-NH2 3.29Å; S119-R232 VanDerWaalsContact O-NH2 3.09Å; S123-R232 WeakPolarHBondContact OG-CD 3.43Å; S123-R232 PolarHBondContact OG-NE 3.45Å; F126-R232 WeakPolarHBondContact O-CA 3.29Å; N230-R232 PolarHBondContact O-N 3.45Å
233V92.3Very high88.6Confident4 Ų452 Ų522%0.02427%0.267CS..  trans-114.4136.5174.8-1780000107.1F126 F128 L220 A238 M241F126-V233 WeakPolarHBondContact CB-O 3.35Å; F126-V233 PolarHBondContact O-N 3.38Å; F128-V233 HydrophobicContact CB-CG2 4.29Å; L220-V233 HydrophobicContact CD2-CG1 4.43Å; V233-A238 HydrophobicContact CG1-CB 4.06Å; V233-M241 HydrophobicContact CG1-SD 4.07Å
234S92.4Very high90.1Very high51 Ų5152.5 Ų52.536%0.35727%0.268SS..  trans-70.7158.9173.779.30000110.3H236 S237 A238S234-H236 VanDerWaalsContact C-N 3.27Å; S234-H236 PolarHBondContact O-N 3.22Å; S234-S237 PolarHBondContact O-N 3.38Å; S234-S237 WeakPolarHBondContact OG-CB 3.45Å; S234-S237 PolarHBondContact OG-N 3.21Å; S234-S237 PolarHBondContact OG-OG 3.45Å; S234-A238 PolarHBondContact O-N 3.33Å
235F93.1Very high91.4Very high27 Ų2744.7 Ų44.712%0.11823%0.231CC..Hα-helixtrans-55.4-45.2175-174.8-86.2000111.8F126 A238 E239 F282 M288 L310 L311 R314F126-F235 AromaticContact CE1-CD2 3.58Å; F126-F235 HydrophobicContact CE1-CD2 3.58Å; F126-F235 HydrophobicContact CE1-CE2 4.18Å; F126-F235 HydrophobicContact CE1-CG 4.44Å; F126-F235 AromaticContact CZ-CD2 3.72Å; F126-F235 HydrophobicContact CZ-CD2 3.72Å; F126-F235 HydrophobicContact CZ-CE2 4.15Å; F235-A238 WeakPolarHBondContact O-CB 3.24Å; F235-A238 PolarHBondContact O-N 3.46Å; F235-E239 PolarHBondContact O-N 3.28Å; F235-F282 HydrophobicContact CD1-CE1 4.39Å; F235-F282 HydrophobicContact CD2-CE1 4.29Å; F235-F282 HydrophobicContact CD2-CZ 4.37Å; F235-F282 AromaticContact CE1-CE1 3.86Å; F235-F282 HydrophobicContact CE1-CE1 3.86Å; F235-F282 AromaticContact CE2-CE1 3.79Å; F235-F282 HydrophobicContact CE2-CE1 3.79Å; F235-F282 HydrophobicContact CE2-CZ 4.07Å; F235-F282 HydrophobicContact CZ-CD1 4.19Å; F235-F282 AromaticContact CZ-CE1 3.52Å; F235-F282 HydrophobicContact CZ-CE1 3.52Å; F235-F282 HydrophobicContact CZ-CZ 4.27Å; F235-M288 HydrophobicContact CE2-CE 4.44Å; F235-M288 HydrophobicContact CE2-SD 3.71Å; F235-M288 HydrophobicContact CZ-SD 4.42Å; F235-L310 HydrophobicContact CB-CD2 4.49Å; F235-L310 HydrophobicContact CD2-CB 3.83Å; F235-L310 HydrophobicContact CD2-CD1 4.04Å; F235-L310 HydrophobicContact CD2-CD2 4.39Å; F235-L310 HydrophobicContact CD2-CG 4.3Å; F235-L310 HydrophobicContact CE2-CB 3.91Å; F235-L310 HydrophobicContact CG-CB 4.48Å; F235-L311 HydrophobicContact CE2-CD2 4.42Å; F235-L311 HydrophobicContact CZ-CD2 3.75Å; F235-R314 HydrophobicContact CD1-CB 4.26Å; F235-R314 HydrophobicContact CD1-CG 4.4Å; F235-R314 HydrophobicContact CE1-CB 3.88Å; F235-R314 HydrophobicContact CE1-CG 3.9Å
236H91.8Very high92.4Very high110 Ų11043 Ų4351%0.50922%0.22SC..Hα-helixtrans-61.2-46.3177.4178.358.7000112.1S234 A238 E239 T240S234-H236 VanDerWaalsContact C-N 3.27Å; S234-H236 PolarHBondContact O-N 3.22Å; H236-A238 VanDerWaalsContact C-N 3.25Å; H236-A238 PolarHBondContact O-N 2.81Å; H236-E239 WeakPolarHBondContact O-CB 3.23Å; H236-E239 PolarHBondContact O-N 3.29Å; H236-T240 PolarHBondContact O-N 3.39Å; H236-T240 PolarHBondContact O-OG1 2.82Å; H236-T240 VanDerWaalsContact O-OG1 3.12Å
237S93.2Very high93.3Very high31 Ų3138.8 Ų38.822%0.21719%0.189CC..Hα-helixtrans-62.7-33176.7-570000112.4S234 T240 M241S234-S237 PolarHBondContact O-N 3.38Å; S234-S237 WeakPolarHBondContact OG-CB 3.45Å; S234-S237 PolarHBondContact OG-N 3.21Å; S234-S237 PolarHBondContact OG-OG 3.45Å; S237-T240 PolarHBondContact O-N 3.41Å; S237-M241 VanDerWaalsContact O-CG 3.28Å; S237-M241 WeakPolarHBondContact O-CG 3.42Å; S237-M241 PolarHBondContact O-N 2.82Å
238A95.5Very high93.9Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-70.2-39.3175.800000112.3F126 I131 V233 S234 F235 H236 M241 F242 F282F126-A238 HydrophobicContact CD1-CB 4.17Å; F126-A238 HydrophobicContact CE1-CB 4.44Å; I131-A238 HydrophobicContact CD1-CB 3.74Å; I131-A238 HydrophobicContact CG1-CB 3.79Å; I131-A238 HydrophobicContact CG2-CB 4.09Å; V233-A238 HydrophobicContact CG1-CB 4.06Å; S234-A238 PolarHBondContact O-N 3.33Å; F235-A238 WeakPolarHBondContact O-CB 3.24Å; F235-A238 PolarHBondContact O-N 3.46Å; H236-A238 VanDerWaalsContact C-N 3.25Å; H236-A238 PolarHBondContact O-N 2.81Å; A238-M241 WeakPolarHBondContact O-CB 3.42Å; A238-M241 PolarHBondContact O-N 2.89Å; A238-F242 WeakPolarHBondContact O-CD2 3.28Å; A238-F242 PolarHBondContact O-N 3.21Å; A238-F242 VanDerWaalsContact O-N 3.11Å; A238-F282 HydrophobicContact CB-CE1 4.26Å; A238-F282 HydrophobicContact CB-CE2 3.96Å; A238-F282 HydrophobicContact CB-CZ 3.46Å; A238-F282 VanDerWaalsContact CB-CZ 3.46Å
239E95.7Very high94.4Very high6 Ų631.6 Ų31.63%0.02816%0.156CC..Hα-helixtrans-60.1-47.3170.3-175.6-179.8-123.300110.7F235 H236 M241 F242 H243 E279 F282 S283 R314F235-E239 PolarHBondContact O-N 3.28Å; H236-E239 WeakPolarHBondContact O-CB 3.23Å; H236-E239 PolarHBondContact O-N 3.29Å; E239-M241 VanDerWaalsContact C-N 3.3Å; E239-M241 PolarHBondContact O-N 3.05Å; E239-F242 WeakPolarHBondContact O-CB 3.34Å; E239-F242 PolarHBondContact O-N 2.83Å; E239-H243 PolarHBondContact O-N 3.31Å; E239-E279 HydrophobicContact CG-CB 4.34Å; E239-E279 HydrophobicContact CG-CG 3.97Å; E239-F282 HydrophobicContact CB-CD1 3.77Å; E239-F282 HydrophobicContact CB-CE1 3.79Å; E239-F282 HydrophobicContact CG-CD1 4.18Å; E239-S283 PolarHBondContact OE1-OG 3.16Å; E239-R314 IonicContact OE1-NE 3.16Å; E239-R314 IonicContact OE1-NH2 3.6Å; E239-R314 IonicContact OE2-CZ 3.06Å; E239-R314 VanDerWaalsContact OE2-CZ 3.3Å; E239-R314 IonicContact OE2-NE 3.67Å; E239-R314 PolarHBondContact OE2-NE 3.44Å; E239-R314 IonicContact OE2-NH2 3.47Å; E239-R314 PolarHBondContact OE2-NH2 3.31Å
240T95.1Very high94.8Very high27 Ų2728 Ų2817%0.16614%0.142CC..Hα-helixtrans-59.8-38.6175.3-53.50000112.2D193 H236 S237 F242 H243 E244D193-T240 HydrophobicContact CB-CG2 3.73Å; D193-T240 VanDerWaalsContact OD2-CG2 3.24Å; D193-T240 WeakPolarHBondContact OD2-CG2 3.39Å; H236-T240 PolarHBondContact O-N 3.39Å; H236-T240 PolarHBondContact O-OG1 2.82Å; H236-T240 VanDerWaalsContact O-OG1 3.12Å; S237-T240 PolarHBondContact O-N 3.41Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 2.88Å; T240-H243 WeakPolarHBondContact O-CB 3.44Å; T240-H243 PolarHBondContact O-N 2.84Å; T240-E244 HydrophobicContact CG2-CG 4.37Å; T240-E244 WeakPolarHBondContact O-CG 3.09Å; T240-E244 PolarHBondContact O-N 2.77Å
241M95.6Very high95.1Very high1 Ų123.7 Ų23.71%0.00512%0.119CC..Hα-helixtrans-59-44.4173-75.1176.566.400111.8F128 I131 L218 L220 V233 S237 A238 E239 E244 L245F128-M241 HydrophobicContact CD2-CE 3.56Å; F128-M241 HydrophobicContact CD2-SD 4.35Å; F128-M241 HydrophobicContact CE2-CE 3.59Å; I131-M241 HydrophobicContact CB-CE 4.15Å; I131-M241 HydrophobicContact CB-SD 4.31Å; I131-M241 HydrophobicContact CG2-CB 4.21Å; I131-M241 HydrophobicContact CG2-CE 3.82Å; I131-M241 HydrophobicContact CG2-SD 3.88Å; L218-M241 HydrophobicContact CD1-CG 3.9Å; L220-M241 HydrophobicContact CD1-CE 4.32Å; L220-M241 HydrophobicContact CD1-CG 4.01Å; L220-M241 HydrophobicContact CD1-SD 3.47Å; L220-M241 WeakPolarHBondContact CD1-SD 3.45Å; V233-M241 HydrophobicContact CG1-SD 4.07Å; S237-M241 VanDerWaalsContact O-CG 3.28Å; S237-M241 WeakPolarHBondContact O-CG 3.42Å; S237-M241 PolarHBondContact O-N 2.82Å; A238-M241 WeakPolarHBondContact O-CB 3.42Å; A238-M241 PolarHBondContact O-N 2.89Å; E239-M241 VanDerWaalsContact C-N 3.3Å; E239-M241 PolarHBondContact O-N 3.05Å; M241-E244 PolarHBondContact O-N 2.89Å; M241-L245 VanDerWaalsContact O-CB 3.23Å; M241-L245 WeakPolarHBondContact O-CB 3.26Å; M241-L245 WeakPolarHBondContact O-CD1 3.49Å; M241-L245 WeakPolarHBondContact O-CG 3.26Å; M241-L245 PolarHBondContact O-N 3.41Å
242F97.5Very high95.4Very high0 Ų022.2 Ų22.20%011%0.109CC..Hα-helixtrans-63.9-40.4176.7-91.9-114.8000111.9I131 F135 L138 A238 E239 T240 L245 G246 M278 F282 I291I131-F242 HydrophobicContact CG2-CD2 4.01Å; I131-F242 HydrophobicContact CG2-CE2 3.74Å; F135-F242 HydrophobicContact CB-CE1 4.48Å; F135-F242 HydrophobicContact CB-CE2 4.13Å; F135-F242 HydrophobicContact CB-CZ 4Å; F135-F242 AromaticContact CD2-CD1 3.81Å; F135-F242 HydrophobicContact CD2-CD1 3.81Å; F135-F242 HydrophobicContact CD2-CD2 4.42Å; F135-F242 AromaticContact CD2-CE1 3.86Å; F135-F242 HydrophobicContact CD2-CE1 3.86Å; F135-F242 HydrophobicContact CD2-CE2 4.44Å; F135-F242 HydrophobicContact CD2-CG 4.11Å; F135-F242 HydrophobicContact CD2-CZ 4.18Å; F135-F242 HydrophobicContact CE2-CD1 4.4Å; L138-F242 HydrophobicContact CD2-CD1 4.41Å; L138-F242 HydrophobicContact CD2-CE1 3.84Å; A238-F242 WeakPolarHBondContact O-CD2 3.28Å; A238-F242 PolarHBondContact O-N 3.21Å; A238-F242 VanDerWaalsContact O-N 3.11Å; E239-F242 WeakPolarHBondContact O-CB 3.34Å; E239-F242 PolarHBondContact O-N 2.83Å; T240-F242 VanDerWaalsContact C-N 3.33Å; T240-F242 PolarHBondContact O-N 2.88Å; F242-L245 PolarHBondContact O-N 2.89Å; F242-G246 PolarHBondContact O-N 3.05Å; F242-M278 HydrophobicContact CB-CB 4.31Å; F242-M278 HydrophobicContact CD1-CB 4.49Å; F242-M278 VanDerWaalsContact O-CB 3.25Å; F242-M278 WeakPolarHBondContact O-CB 3.47Å; F242-F282 HydrophobicContact CB-CB 4.11Å; F242-F282 HydrophobicContact CB-CG 4.5Å; F242-F282 HydrophobicContact CD1-CB 3.65Å; F242-F282 HydrophobicContact CD1-CD2 4.22Å; F242-F282 HydrophobicContact CD1-CG 4.32Å; F242-F282 HydrophobicContact CD2-CB 4.34Å; F242-F282 AromaticContact CD2-CD2 3.62Å; F242-F282 HydrophobicContact CD2-CD2 3.62Å; F242-F282 HydrophobicContact CD2-CE2 4.23Å; F242-F282 HydrophobicContact CD2-CG 4.16Å; F242-F282 HydrophobicContact CE1-CB 4.09Å; F242-F282 HydrophobicContact CE1-CD2 4.14Å; F242-F282 AromaticContact CE2-CD2 3.57Å; F242-F282 HydrophobicContact CE2-CD2 3.57Å; F242-F282 HydrophobicContact CE2-CE2 4.09Å; F242-F282 HydrophobicContact CE2-CG 4.48Å; F242-F282 HydrophobicContact CG-CB 3.78Å; F242-F282 AromaticContact CG-CD2 3.96Å; F242-F282 HydrophobicContact CG-CD2 3.96Å; F242-F282 HydrophobicContact CG-CG 4.08Å; F242-F282 AromaticContact CZ-CD2 3.84Å; F242-F282 HydrophobicContact CZ-CD2 3.84Å; F242-I291 HydrophobicContact CE1-CD1 3.91Å; F242-I291 HydrophobicContact CZ-CD1 3.74Å
243H97.5Very high95.7Very high27 Ų2716.7 Ų16.713%0.1259%0.09CC..Hα-helixtrans-56.2-56.7174.1-177.1103.5000111.3E239 T240 L245 G246 H247 E272 S275 E279E239-H243 PolarHBondContact O-N 3.31Å; T240-H243 WeakPolarHBondContact O-CB 3.44Å; T240-H243 PolarHBondContact O-N 2.84Å; H243-L245 VanDerWaalsContact C-N 3.31Å; H243-L245 PolarHBondContact O-N 3.16Å; H243-G246 WeakPolarHBondContact O-CA 3.13Å; H243-G246 PolarHBondContact O-N 3.46Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.74Å; H243-H247 AromaticContact NE2-CD2 3.9Å; H243-H247 AromaticContact NE2-NE2 3.25Å; H243-H247 PolarHBondContact NE2-NE2 2.75Å; H243-H247 PolarHBondContact O-N 2.8Å; H243-E272 IonicContact CE1-OE2 2.87Å; H243-E272 IonicContact NE2-OE2 3.87Å; H243-E272 PolarHBondContact NE2-OE2 3.26Å; H243-S275 VanDerWaalsContact CE1-CB 3.5Å; H243-S275 WeakPolarHBondContact CE1-CB 3.28Å; H243-S275 PolarHBondContact CE1-OG 3.45Å; H243-S275 WeakPolarHBondContact NE2-CB 3.41Å; H243-S275 PolarHBondContact NE2-OG 2.88Å; H243-S275 WeakPolarHBondContact O-CB 3.47Å; H243-E279 HydrophobicContact CB-CG 4.21Å; H243-E279 IonicContact CE1-OE1 3.38Å; H243-E279 IonicContact CG-OE1 2.84Å; H243-E279 IonicContact ND1-OE1 3.26Å; H243-E279 PolarHBondContact ND1-OE1 2.96Å
244E96.8Very high95.8Very high18 Ų1816.5 Ų16.58%0.0849%0.089CC..Hα-helixtrans-64.2-36.9-177.7-68.3-56.8145.100112.2D193 C194 H195 L216 L218 T240 M241 G246 H247 A248D193-E244 HydrophobicContact CB-CG 4.21Å; C194-E244 VanDerWaalsContact CA-OE2 3.24Å; C194-E244 WeakPolarHBondContact CA-OE2 3.28Å; H195-E244 PolarHBondContact N-OE2 2.96Å; L216-E244 HydrophobicContact CD1-CB 3.56Å; L216-E244 WeakPolarHBondContact CD1-O 3.15Å; L216-E244 HydrophobicContact CD2-CB 4.43Å; L216-E244 HydrophobicContact CG-CB 4.22Å; L218-E244 HydrophobicContact CD2-CB 4.18Å; L218-E244 HydrophobicContact CD2-CG 4.03Å; T240-E244 HydrophobicContact CG2-CG 4.37Å; T240-E244 WeakPolarHBondContact O-CG 3.09Å; T240-E244 PolarHBondContact O-N 2.77Å; M241-E244 PolarHBondContact O-N 2.89Å; E244-G246 VanDerWaalsContact C-N 3.28Å; E244-G246 PolarHBondContact O-N 2.87Å; E244-H247 WeakPolarHBondContact O-CB 3.35Å; E244-H247 PolarHBondContact O-N 2.85Å; E244-H247 IonicContact OE2-CD2 3.19Å; E244-A248 PolarHBondContact O-N 3.06Å
245L96Very high95.8Very high1 Ų117.6 Ų17.61%0.0059%0.085CC..Hα-helixtrans-68.6-27.1173.8-73166.2000112.5W132 F135 L216 M241 F242 H243 A248 M249W132-L245 HydrophobicContact CE3-CD1 4.36Å; W132-L245 HydrophobicContact CZ3-CD1 4.34Å; W132-L245 HydrophobicContact CZ3-CD2 3.83Å; F135-L245 HydrophobicContact CB-CD1 4.07Å; F135-L245 HydrophobicContact CD1-CB 4.06Å; F135-L245 HydrophobicContact CD1-CD1 3.73Å; F135-L245 HydrophobicContact CD1-CD2 4.28Å; F135-L245 HydrophobicContact CD1-CG 4.25Å; F135-L245 HydrophobicContact CD2-CB 3.97Å; F135-L245 HydrophobicContact CD2-CD1 3.97Å; F135-L245 HydrophobicContact CE1-CB 3.63Å; F135-L245 HydrophobicContact CE1-CD1 4.17Å; F135-L245 HydrophobicContact CE1-CD2 4.14Å; F135-L245 HydrophobicContact CE1-CG 4.2Å; F135-L245 HydrophobicContact CE2-CB 3.54Å; F135-L245 HydrophobicContact CE2-CD1 4.41Å; F135-L245 HydrophobicContact CG-CB 4.23Å; F135-L245 HydrophobicContact CG-CD1 3.62Å; F135-L245 HydrophobicContact CG-CG 4.46Å; F135-L245 HydrophobicContact CZ-CB 3.37Å; F135-L245 HydrophobicContact CZ-CG 4.39Å; L216-L245 HydrophobicContact CD2-CD2 3.61Å; L216-L245 HydrophobicContact CD2-CG 3.8Å; M241-L245 VanDerWaalsContact O-CB 3.23Å; M241-L245 WeakPolarHBondContact O-CB 3.26Å; M241-L245 WeakPolarHBondContact O-CD1 3.49Å; M241-L245 WeakPolarHBondContact O-CG 3.26Å; M241-L245 PolarHBondContact O-N 3.41Å; F242-L245 PolarHBondContact O-N 2.89Å; H243-L245 VanDerWaalsContact C-N 3.31Å; H243-L245 PolarHBondContact O-N 3.16Å; L245-A248 WeakPolarHBondContact O-CB 3.28Å; L245-A248 PolarHBondContact O-N 3.42Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 2.96Å
246G97.4Very high95.8Very high1 Ų117 Ų171%0.018%0.084CC..Hα-helixtrans-62.2-42.1168.800000112.6F242 H243 E244 A248 M249 H250F242-G246 PolarHBondContact O-N 3.05Å; H243-G246 WeakPolarHBondContact O-CA 3.13Å; H243-G246 PolarHBondContact O-N 3.46Å; E244-G246 VanDerWaalsContact C-N 3.28Å; E244-G246 PolarHBondContact O-N 2.87Å; G246-A248 VanDerWaalsContact C-N 3.35Å; G246-M249 PolarHBondContact O-N 2.74Å; G246-H250 PolarHBondContact O-N 3.37Å
247H97.4Very high96Very high15 Ų1517.1 Ų17.17%0.0698%0.083CC..Hα-helixtrans-64.1-39.4171.1-68.8-50.3000112.6H195 H243 E244 H250 S251 T264 S271 E272 S275H195-H247 HydrophobicContact CB-CB 3.85Å; H243-H247 AromaticContact CD2-CD2 3.89Å; H243-H247 AromaticContact CD2-NE2 3.74Å; H243-H247 AromaticContact NE2-CD2 3.9Å; H243-H247 AromaticContact NE2-NE2 3.25Å; H243-H247 PolarHBondContact NE2-NE2 2.75Å; H243-H247 PolarHBondContact O-N 2.8Å; E244-H247 WeakPolarHBondContact O-CB 3.35Å; E244-H247 PolarHBondContact O-N 2.85Å; E244-H247 IonicContact OE2-CD2 3.19Å; H247-H250 PolarHBondContact O-N 3.04Å; H247-S251 PolarHBondContact O-N 3.09Å; H247-S251 PolarHBondContact O-OG 3.14Å; H247-S251 VanDerWaalsContact O-OG 3.13Å; H247-T264 HydrophobicContact CB-CG2 4.34Å; H247-S271 PolarHBondContact CE1-O 3.2Å; H247-S271 PolarHBondContact ND1-O 3.32Å; H247-E272 IonicContact CE1-OE1 3.56Å; H247-E272 PolarHBondContact CE1-OE1 2.88Å; H247-E272 IonicContact CE1-OE2 2.79Å; H247-E272 IonicContact NE2-OE1 2.77Å; H247-E272 IonicContact NE2-OE2 3.66Å; H247-S275 PolarHBondContact CE1-OG 3.03Å; H247-S275 PolarHBondContact NE2-OG 3.22Å
248A96.9Very high96.1Very high1 Ų122 Ų221%0.00810%0.097CC..Hα-helixtrans-60.6-47.2175.600000110.7I179 L214 E244 L245 G246 H250 S251 I252I179-A248 HydrophobicContact CD1-CB 4.24Å; L214-A248 HydrophobicContact CD1-CB 4.27Å; L214-A248 WeakPolarHBondContact CD1-O 3.21Å; E244-A248 PolarHBondContact O-N 3.06Å; L245-A248 WeakPolarHBondContact O-CB 3.28Å; L245-A248 PolarHBondContact O-N 3.42Å; G246-A248 VanDerWaalsContact C-N 3.35Å; A248-H250 PolarHBondContact O-N 3.11Å; A248-S251 PolarHBondContact O-N 3.46Å; A248-S251 VanDerWaalsContact O-N 3.09Å; A248-I252 WeakPolarHBondContact O-CG1 3.22Å; A248-I252 PolarHBondContact O-N 3.24Å
249M97.4Very high96Very high1 Ų126.4 Ų26.41%0.00512%0.118CC..Hα-helixtrans-62.5-41176.2-70.6-51.1-58.600112.6F135 T139 Y143 V145 L245 G246 S251 I252 L253F135-M249 HydrophobicContact CE1-CG 4.03Å; F135-M249 HydrophobicContact CE1-SD 4.4Å; F135-M249 HydrophobicContact CZ-CG 3.7Å; T139-M249 HydrophobicContact CG2-CE 4.26Å; T139-M249 HydrophobicContact CG2-CG 3.91Å; T139-M249 HydrophobicContact CG2-SD 3.93Å; Y143-M249 HydrophobicContact CD2-CE 3.76Å; Y143-M249 HydrophobicContact CE2-CE 4.25Å; Y143-M249 HydrophobicContact CE2-CG 4.49Å; V145-M249 HydrophobicContact CB-CE 4.05Å; V145-M249 HydrophobicContact CG1-CE 3.9Å; V145-M249 HydrophobicContact CG2-CE 4.21Å; L245-M249 WeakPolarHBondContact O-CG 3.48Å; L245-M249 PolarHBondContact O-N 2.96Å; G246-M249 PolarHBondContact O-N 2.74Å; M249-S251 PolarHBondContact O-N 3.25Å; M249-I252 PolarHBondContact O-N 3.29Å; M249-L253 HydrophobicContact CE-CD1 4.16Å; M249-L253 HydrophobicContact CE-CD2 4.46Å; M249-L253 HydrophobicContact CE-CG 4.18Å; M249-L253 VanDerWaalsContact O-CB 3.32Å; M249-L253 WeakPolarHBondContact O-CB 2.94Å; M249-L253 VanDerWaalsContact O-CG 3.27Å; M249-L253 WeakPolarHBondContact O-CG 3.45Å; M249-L253 PolarHBondContact O-N 3.2Å
250H97.5Very high95.9Very high0 Ų032 Ų320%014%0.144CC..Hα-helixtrans-58.6-38173.9-170.7-173.2000111.7G246 H247 A248 G254 T264 F270 P274G246-H250 PolarHBondContact O-N 3.37Å; H247-H250 PolarHBondContact O-N 3.04Å; A248-H250 PolarHBondContact O-N 3.11Å; H250-G254 VanDerWaalsContact O-CA 3.31Å; H250-G254 WeakPolarHBondContact O-CA 3.31Å; H250-G254 PolarHBondContact O-N 2.69Å; H250-T264 HydrophobicContact CB-CG2 4.26Å; H250-F270 AromaticContact CE1-CE1 3.74Å; H250-F270 AromaticContact NE2-CE1 3.79Å; H250-P274 HydrophobicContact CB-CB 4.04Å; H250-P274 HydrophobicContact CB-CG 4Å
251S96.9Very high95.9Very high4 Ų432 Ų323%0.02814%0.144CC..Hα-helixtrans-75.6-31.7178.2-61.10000114.1H195 H247 A248 M249H195-S251 PolarHBondContact CE1-OG 2.93Å; H195-S251 PolarHBondContact NE2-OG 2.66Å; H247-S251 PolarHBondContact O-N 3.09Å; H247-S251 PolarHBondContact O-OG 3.14Å; H247-S251 VanDerWaalsContact O-OG 3.13Å; A248-S251 PolarHBondContact O-N 3.46Å; A248-S251 VanDerWaalsContact O-N 3.09Å; M249-S251 PolarHBondContact O-N 3.25Å
252I96.9Very high95.9Very high1 Ų132.2 Ų32.21%0.00515%0.146CC..Hα-helixtrans-70.3-47.3173.1-66.7-63.7000110.9A168 L176 I179 P212 L214 A248 M249A168-I252 HydrophobicContact CB-CD1 4.13Å; A168-I252 HydrophobicContact CB-CG1 4.38Å; A168-I252 HydrophobicContact CB-CG2 3.95Å; L176-I252 HydrophobicContact CB-CG2 3.69Å; L176-I252 HydrophobicContact CD1-CG2 4.41Å; I179-I252 HydrophobicContact CD1-CD1 4.28Å; I179-I252 HydrophobicContact CD1-CG1 4.03Å; I179-I252 HydrophobicContact CG1-CD1 3.96Å; I179-I252 HydrophobicContact CG1-CG1 4.24Å; P212-I252 HydrophobicContact CG-CD1 4.29Å; L214-I252 HydrophobicContact CD1-CD1 3.75Å; L214-I252 HydrophobicContact CD1-CG1 3.77Å; L214-I252 HydrophobicContact CG-CD1 4.41Å; A248-I252 WeakPolarHBondContact O-CG1 3.22Å; A248-I252 PolarHBondContact O-N 3.24Å; M249-I252 PolarHBondContact O-N 3.29Å
253L96.5Very high95.8Very high25 Ų2532.3 Ų32.313%0.13115%0.147CC..Hα-helixtrans-76.7-34.1-176.2-63.5172.9000112.1Y143 V145 M249 R255 A420 Q423 S424Y143-L253 HydrophobicContact CD1-CD1 4.25Å; Y143-L253 HydrophobicContact CD2-CD1 4.28Å; Y143-L253 HydrophobicContact CE1-CD1 4.34Å; Y143-L253 HydrophobicContact CE2-CD1 4.37Å; Y143-L253 HydrophobicContact CG-CD1 4.21Å; V145-L253 HydrophobicContact CG2-CD2 4.19Å; M249-L253 HydrophobicContact CE-CD1 4.16Å; M249-L253 HydrophobicContact CE-CD2 4.46Å; M249-L253 HydrophobicContact CE-CG 4.18Å; M249-L253 VanDerWaalsContact O-CB 3.32Å; M249-L253 WeakPolarHBondContact O-CB 2.94Å; M249-L253 VanDerWaalsContact O-CG 3.27Å; M249-L253 WeakPolarHBondContact O-CG 3.45Å; M249-L253 PolarHBondContact O-N 3.2Å; L253-R255 PolarHBondContact O-N 2.96Å; L253-A420 HydrophobicContact CD1-CB 4.12Å; L253-A420 HydrophobicContact CD2-CB 4.42Å; L253-Q423 HydrophobicContact CB-CB 4.15Å; L253-S424 WeakPolarHBondContact O-CA 3.37Å
254G95Very high95.7Very high0 Ų032.6 Ų32.60%015%0.15CC..  trans-70.160.2-176.500000115.7H250 T256 G263 Q423H250-G254 VanDerWaalsContact O-CA 3.31Å; H250-G254 WeakPolarHBondContact O-CA 3.31Å; H250-G254 PolarHBondContact O-N 2.69Å; G254-T256 PolarHBondContact O-N 3.49Å; G254-G263 PolarHBondContact O-N 3.38Å; G254-Q423 WeakPolarHBondContact CA-O 3.44Å
255R91.2Very high95.5Very high74 Ų7438.1 Ų38.128%0.27917%0.17SC..  trans-87.896.1-178-64.2-176.864.7168.70.3111.5W209 L253 S424W209-R255 VanDerWaalsContact CG-NH2 3.31Å; W209-R255 HydrophobicContact CZ3-CB 4.13Å; L253-R255 PolarHBondContact O-N 2.96Å; R255-S424 PolarHBondContact N-O 3.32Å
256T94.8Very high95.4Very high13 Ų1339.3 Ų39.38%0.0818%0.179CC..  trans-106.8154.7179.566.30000112.3K202 W209 G254 Y258 V261 A262 H425K202-T256 WeakPolarHBondContact CA-O 3.45Å; W209-T256 WeakPolarHBondContact CZ3-O 3.41Å; G254-T256 PolarHBondContact O-N 3.49Å; T256-Y258 PolarHBondContact O-N 3.29Å; T256-Y258 VanDerWaalsContact O-N 3.13Å; T256-Y258 PolarHBondContact OG1-O 3.43Å; T256-V261 HydrophobicContact CG2-CG2 4.31Å; T256-V261 WeakPolarHBondContact CG2-O 3.48Å; T256-A262 VanDerWaalsContact OG1-CA 3.28Å; T256-A262 WeakPolarHBondContact OG1-CA 3.33Å; T256-A262 WeakPolarHBondContact OG1-CB 3.44Å; T256-A262 PolarHBondContact OG1-N 3.11Å; T256-H425 WeakPolarHBondContact CG2-O 3.37Å
257K94.6Very high95.2Very high114 Ų11440.9 Ų40.950%0.49619%0.189SC..SBendtrans-55.2-33.5176.8-175.4174.6-176.5179.20112.3Q203Q203-K257 HydrophobicContact CB-CG 4.02Å; Q203-K257 PolarHBondContact N-O 3.05Å; Q203-K257 VanDerWaalsContact N-O 3.11Å
258Y94.8Very high94.8Very high132 Ų13241.9 Ų41.952%0.51819%0.193SC..SBendtrans-119.5125.2-176.2-51.4-77.3000112.5T256 H260 V261T256-Y258 PolarHBondContact O-N 3.29Å; T256-Y258 VanDerWaalsContact O-N 3.13Å; T256-Y258 PolarHBondContact OG1-O 3.43Å; Y258-H260 WeakPolarHBondContact CB-CE1 3.38Å; Y258-H260 VanDerWaalsContact CB-ND1 3.31Å; Y258-H260 WeakPolarHBondContact CB-ND1 3.03Å; Y258-H260 AromaticContact CG-CE1 3.56Å; Y258-H260 PolarHBondContact O-N 2.92Å; Y258-V261 WeakPolarHBondContact O-CG2 3.4Å; Y258-V261 PolarHBondContact O-N 3.35Å; Y258-V261 VanDerWaalsContact O-N 3.11Å
259Q94.3Very high94.5Very high93 Ų9342 Ų4244%0.43519%0.194SC..G310 helixtrans-55.4-23.5-178.266.5-178.310.500115.4C200 S201 K202 V261 A262 R265C200-Q259 HydrophobicContact CB-CB 3.92Å; S201-Q259 WeakPolarHBondContact O-CA 3.48Å; K202-Q259 HydrophobicContact CB-CB 4.11Å; K202-Q259 HydrophobicContact CD-CB 4.29Å; Q259-V261 PolarHBondContact O-N 2.77Å; Q259-A262 PolarHBondContact O-N 2.91Å; Q259-R265 WeakPolarHBondContact O-CD 3.46Å
260H94.1Very high94.4Very high125 Ų12542 Ų4258%0.57919%0.194SC*.G310 helixtrans-72.7-13-176.661.3-90000113.4Y258 R265Y258-H260 WeakPolarHBondContact CB-CE1 3.38Å; Y258-H260 VanDerWaalsContact CB-ND1 3.31Å; Y258-H260 WeakPolarHBondContact CB-ND1 3.03Å; Y258-H260 AromaticContact CG-CE1 3.56Å; Y258-H260 PolarHBondContact O-N 2.92Å; H260-R265 WeakPolarHBondContact O-CB 3.27Å
261V95.2Very high94.2Very high26 Ų2642.5 Ų42.516%0.15820%0.198CC..G310 helixtrans-125.114.7175.6-690000112.4T256 Y258 Q259 G426 G427T256-V261 HydrophobicContact CG2-CG2 4.31Å; T256-V261 WeakPolarHBondContact CG2-O 3.48Å; Y258-V261 WeakPolarHBondContact O-CG2 3.4Å; Y258-V261 PolarHBondContact O-N 3.35Å; Y258-V261 VanDerWaalsContact O-N 3.11Å; Q259-V261 PolarHBondContact O-N 2.77Å; V261-G426 CarbonylContact O-C 3.6Å; V261-G426 WeakPolarHBondContact O-CA 3.43Å; V261-G427 WeakPolarHBondContact CG1-O 3.23Å; V261-G427 PolarHBondContact O-N 3.4Å
262A95.8Very high94.2Very high5 Ų543.2 Ų43.24%0.04120%0.201CC..SBendtrans-79.9145.2178.500000111.7C200 S201 T256 Q259 T264 R265C200-A262 HydrophobicContact CB-CB 4.2Å; S201-A262 WeakPolarHBondContact O-CB 3.23Å; T256-A262 VanDerWaalsContact OG1-CA 3.28Å; T256-A262 WeakPolarHBondContact OG1-CA 3.33Å; T256-A262 WeakPolarHBondContact OG1-CB 3.44Å; T256-A262 PolarHBondContact OG1-N 3.11Å; Q259-A262 PolarHBondContact O-N 2.91Å; A262-T264 PolarHBondContact O-N 3.26Å; A262-R265 WeakPolarHBondContact O-CB 3.38Å; A262-R265 PolarHBondContact O-N 2.94Å
263G94.6Very high94.3Very high3 Ų343.2 Ų43.23%0.03120%0.201CC..THydrogen-bonded Turntrans54.4-131.5178.800000113G254 R265 G426G254-G263 PolarHBondContact O-N 3.38Å; G263-R265 PolarHBondContact O-N 3.49Å; G263-R265 VanDerWaalsContact O-N 3.09Å; G263-G426 WeakPolarHBondContact O-CA 3.35Å
264T94.7Very high94.3Very high32 Ų3242.1 Ų42.120%0.19620%0.195CC..THydrogen-bonded Turntrans-72.23.8-177.757.20000115.1H247 H250 A262 C266H247-T264 HydrophobicContact CB-CG2 4.34Å; H250-T264 HydrophobicContact CB-CG2 4.26Å; A262-T264 PolarHBondContact O-N 3.26Å; T264-C266 PolarHBondContact O-N 2.7Å; T264-C266 PolarHBondContact O-SG 3.49Å; T264-C266 VanDerWaalsContact O-SG 3.39Å
265R94Very high94.4Very high134 Ų13442.1 Ų42.151%0.50620%0.195SC..  trans-7768.1176.6-65.4178.8177-83.2-3.4111.8C200 Q259 H260 A262 G263 G427C200-R265 PolarHBondContact SG-NE 3.37Å; Q259-R265 WeakPolarHBondContact O-CD 3.46Å; H260-R265 WeakPolarHBondContact O-CB 3.27Å; A262-R265 WeakPolarHBondContact O-CB 3.38Å; A262-R265 PolarHBondContact O-N 2.94Å; G263-R265 PolarHBondContact O-N 3.49Å; G263-R265 VanDerWaalsContact O-N 3.09Å; R265-G427 WeakPolarHBondContact O-CA 3.5Å
266C93.3Very high94.8Very high27 Ų2739.1 Ų39.118%0.18218%0.184CC..SBendtrans-143.6173.2-175.358.60000109.5T264 F270 S271 G427T264-C266 PolarHBondContact O-N 2.7Å; T264-C266 PolarHBondContact O-SG 3.49Å; T264-C266 VanDerWaalsContact O-SG 3.39Å; C266-F270 HydrophobicContact CB-CD1 4.03Å; C266-S271 VanDerWaalsContact SG-CA 3.54Å; C266-S271 WeakPolarHBondContact SG-CB 3.18Å; C266-G427 VanDerWaalsContact CB-CA 3.46Å
267P92.4Very high94.9Very high33 Ų3338.5 Ų38.521%0.21418%0.18CC..  trans-52.8139.7171.3-27.738000111.7N43 D269 F270 S271 P431N43-P267 WeakPolarHBondContact O-CG 3.35Å; P267-D269 WeakPolarHBondContact CB-OD1 3.25Å; P267-D269 PolarHBondContact O-N 2.75Å; P267-F270 WeakPolarHBondContact O-CA 3.25Å; P267-F270 WeakPolarHBondContact O-CB 3.41Å; P267-F270 PolarHBondContact O-N 3.41Å; P267-S271 PolarHBondContact O-N 3.01Å; P267-P431 HydrophobicContact CB-CG 3.93Å; P267-P431 HydrophobicContact CG-CG 3.67Å
268Q88.8Confident95.1Very high36 Ų3633.1 Ų33.117%0.16816%0.157CC..Hα-helixtrans-62.8-32.3-171.4-171.5172.5-24.200112.8F270 S271 E272 S390 Y391Q268-F270 PolarHBondContact O-N 2.95Å; Q268-S271 WeakPolarHBondContact CA-OG 3.24Å; Q268-S271 PolarHBondContact O-N 2.94Å; Q268-S271 PolarHBondContact O-OG 3.42Å; Q268-E272 HydrophobicContact CG-CG 4.37Å; Q268-E272 WeakPolarHBondContact O-CG 3.43Å; Q268-E272 PolarHBondContact O-N 3.05Å; Q268-S390 WeakPolarHBondContact CG-OG 3.28Å; Q268-S390 PolarHBondContact NE2-OG 3.27Å; Q268-Y391 PolarHBondContact NE2-OH 2.92Å
269D90.9Very high95.2Very high3 Ų327.9 Ų27.92%0.01614%0.137CC..Hα-helixtrans-70.6-8.8175.155.4-4.7000113.8S44 L45 P267 I273 V393S44-D269 VanDerWaalsContact CB-OD2 3.24Å; S44-D269 WeakPolarHBondContact CB-OD2 3.41Å; L45-D269 WeakPolarHBondContact CB-OD2 3.28Å; L45-D269 PolarHBondContact N-OD2 2.93Å; P267-D269 WeakPolarHBondContact CB-OD1 3.25Å; P267-D269 PolarHBondContact O-N 2.75Å; D269-I273 WeakPolarHBondContact O-CD1 3.48Å; D269-I273 WeakPolarHBondContact O-CG1 3.27Å; D269-V393 HydrophobicContact CB-CB 4.22Å; D269-V393 HydrophobicContact CB-CG1 3.89Å
270F95.4Very high95.4Very high1 Ų124.6 Ų24.60%0.00412%0.121CC..Hα-helixtrans-103.4-38.7166.8-175-104.4000112.7H250 C266 P267 Q268 E272 I273 P274 V422 P431 L434H250-F270 AromaticContact CE1-CE1 3.74Å; H250-F270 AromaticContact NE2-CE1 3.79Å; C266-F270 HydrophobicContact CB-CD1 4.03Å; P267-F270 WeakPolarHBondContact O-CA 3.25Å; P267-F270 WeakPolarHBondContact O-CB 3.41Å; P267-F270 PolarHBondContact O-N 3.41Å; Q268-F270 PolarHBondContact O-N 2.95Å; F270-E272 PolarHBondContact O-N 3.48Å; F270-E272 VanDerWaalsContact O-N 3.16Å; F270-I273 HydrophobicContact CD2-CD1 3.82Å; F270-I273 HydrophobicContact CE2-CD1 4.47Å; F270-I273 PolarHBondContact O-N 3.22Å; F270-P274 WeakPolarHBondContact O-CD 3.42Å; F270-V422 HydrophobicContact CE2-CG1 4.15Å; F270-V422 HydrophobicContact CZ-CG1 3.91Å; F270-P431 HydrophobicContact CB-CB 3.97Å; F270-P431 HydrophobicContact CB-CG 3.9Å; F270-P431 HydrophobicContact CD2-CB 4.27Å; F270-P431 HydrophobicContact CG-CB 4.33Å; F270-P431 HydrophobicContact CG-CG 4.46Å; F270-L434 HydrophobicContact CD1-CD1 4.26Å; F270-L434 HydrophobicContact CD2-CD1 4.48Å; F270-L434 HydrophobicContact CE1-CD1 3.63Å; F270-L434 HydrophobicContact CE2-CB 3.79Å; F270-L434 HydrophobicContact CE2-CD1 3.88Å; F270-L434 HydrophobicContact CE2-CG 4.5Å; F270-L434 HydrophobicContact CZ-CB 4.06Å; F270-L434 HydrophobicContact CZ-CD1 3.42Å; F270-L434 VanDerWaalsContact CZ-CD1 3.42Å; F270-L434 HydrophobicContact CZ-CG 4.35Å
271S94.8Very high95.6Very high12 Ų1218.7 Ų18.78%0.0849%0.094CC..Hα-helixtrans-60.2-28.8-176.764.70000113.7H247 C266 P267 Q268H247-S271 PolarHBondContact CE1-O 3.2Å; H247-S271 PolarHBondContact ND1-O 3.32Å; C266-S271 VanDerWaalsContact SG-CA 3.54Å; C266-S271 WeakPolarHBondContact SG-CB 3.18Å; P267-S271 PolarHBondContact O-N 3.01Å; Q268-S271 WeakPolarHBondContact CA-OG 3.24Å; Q268-S271 PolarHBondContact O-N 2.94Å; Q268-S271 PolarHBondContact O-OG 3.42Å
272E96.3Very high95.6Very high19 Ų1917.5 Ų17.59%0.0899%0.086CC..THydrogen-bonded Turntrans-84-13.8178.9-67-55.7135.300113.8H243 H247 Q268 F270 S275 N276 Y391 A394H243-E272 IonicContact CE1-OE2 2.87Å; H243-E272 IonicContact NE2-OE2 3.87Å; H243-E272 PolarHBondContact NE2-OE2 3.26Å; H247-E272 IonicContact CE1-OE1 3.56Å; H247-E272 PolarHBondContact CE1-OE1 2.88Å; H247-E272 IonicContact CE1-OE2 2.79Å; H247-E272 IonicContact NE2-OE1 2.77Å; H247-E272 IonicContact NE2-OE2 3.66Å; Q268-E272 HydrophobicContact CG-CG 4.37Å; Q268-E272 WeakPolarHBondContact O-CG 3.43Å; Q268-E272 PolarHBondContact O-N 3.05Å; F270-E272 PolarHBondContact O-N 3.48Å; F270-E272 VanDerWaalsContact O-N 3.16Å; E272-S275 PolarHBondContact O-N 3.09Å; E272-S275 PolarHBondContact O-OG 3.28Å; E272-S275 PolarHBondContact OE2-OG 2.99Å; E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 PolarHBondContact O-N 3.14Å; E272-N276 PolarHBondContact O-ND2 3.04Å; E272-Y391 HydrophobicContact CG-CD1 4.11Å; E272-Y391 HydrophobicContact CG-CE1 4.06Å; E272-A394 HydrophobicContact CB-CB 3.32Å; E272-A394 HydrophobicContact CG-CB 4.46Å
273I98.1Very high95.5Very high1 Ų118.1 Ų18.11%0.0059%0.091CC..Hα-helixtrans-65.7-45.5-177.4-58.8177000111.5D269 F270 S275 N276 L277 A394 A398 I401 W419 L435D269-I273 WeakPolarHBondContact O-CD1 3.48Å; D269-I273 WeakPolarHBondContact O-CG1 3.27Å; F270-I273 HydrophobicContact CD2-CD1 3.82Å; F270-I273 HydrophobicContact CE2-CD1 4.47Å; F270-I273 PolarHBondContact O-N 3.22Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 3.42Å; I273-N276 PolarHBondContact O-N 3.04Å; I273-L277 WeakPolarHBondContact O-CB 3.22Å; I273-L277 PolarHBondContact O-N 3.5Å; I273-A394 HydrophobicContact CG1-CB 3.9Å; I273-A398 HydrophobicContact CG2-CB 4.27Å; I273-I401 HydrophobicContact CG2-CD1 3.69Å; I273-W419 HydrophobicContact CB-CH2 4.25Å; I273-W419 HydrophobicContact CG2-CH2 3.57Å; I273-W419 HydrophobicContact CG2-CZ2 3.92Å; I273-L435 HydrophobicContact CD1-CD1 4.24Å; I273-L435 HydrophobicContact CD1-CD2 3.93Å; I273-L435 HydrophobicContact CD1-CG 4.35Å
274P97.8Very high95.6Very high2 Ų219.6 Ų19.61%0.01310%0.098CC..Hα-helixtrans-61.9-37.9178.2-25.636.7000113.8H250 F270 M278 W419 Q423H250-P274 HydrophobicContact CB-CB 4.04Å; H250-P274 HydrophobicContact CB-CG 4Å; F270-P274 WeakPolarHBondContact O-CD 3.42Å; P274-M278 WeakPolarHBondContact O-CG 3.38Å; P274-M278 PolarHBondContact O-N 3.2Å; P274-W419 HydrophobicContact CB-CZ2 4.15Å; P274-W419 HydrophobicContact CG-CH2 4.44Å; P274-W419 HydrophobicContact CG-CZ2 3.73Å; P274-Q423 HydrophobicContact CG-CG 4.19Å
275S97.5Very high95.6Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-69.5-48.2178.153.60000111.6H243 H247 E272 I273 L277 M278 E279H243-S275 VanDerWaalsContact CE1-CB 3.5Å; H243-S275 WeakPolarHBondContact CE1-CB 3.28Å; H243-S275 PolarHBondContact CE1-OG 3.45Å; H243-S275 WeakPolarHBondContact NE2-CB 3.41Å; H243-S275 PolarHBondContact NE2-OG 2.88Å; H243-S275 WeakPolarHBondContact O-CB 3.47Å; H247-S275 PolarHBondContact CE1-OG 3.03Å; H247-S275 PolarHBondContact NE2-OG 3.22Å; E272-S275 PolarHBondContact O-N 3.09Å; E272-S275 PolarHBondContact O-OG 3.28Å; E272-S275 PolarHBondContact OE2-OG 2.99Å; I273-S275 VanDerWaalsContact C-N 3.34Å; I273-S275 PolarHBondContact O-N 3.42Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.4Å; S275-M278 PolarHBondContact O-N 3.46Å; S275-E279 PolarHBondContact O-N 3.03Å
276N97.8Very high95.6Very high10 Ų1016.5 Ų16.55%0.05310%0.099CC..Hα-helixtrans-59.4-36.4173.9-80.8-95.3000112.2E272 I273 M278 E279 Y280 R395 A398E272-N276 WeakPolarHBondContact O-CB 3.42Å; E272-N276 PolarHBondContact O-N 3.14Å; E272-N276 PolarHBondContact O-ND2 3.04Å; I273-N276 PolarHBondContact O-N 3.04Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.01Å; N276-E279 WeakPolarHBondContact O-CB 3.48Å; N276-E279 PolarHBondContact O-N 3.02Å; N276-Y280 VanDerWaalsContact O-CD2 3.27Å; N276-Y280 WeakPolarHBondContact O-CD2 3.32Å; N276-Y280 PolarHBondContact O-N 3.29Å; N276-R395 WeakPolarHBondContact OD1-CB 3.19Å; N276-A398 HydrophobicContact CB-CB 3.59Å
277L98.3Very high95.8Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-65.5-37.2176.4-173.863.9000111.6I273 S275 E279 Y280 F281 A398 I401 W402 F406 W419I273-L277 WeakPolarHBondContact O-CB 3.22Å; I273-L277 PolarHBondContact O-N 3.5Å; S275-L277 VanDerWaalsContact C-N 3.27Å; S275-L277 PolarHBondContact O-N 3.4Å; L277-E279 VanDerWaalsContact C-N 3.3Å; L277-E279 PolarHBondContact O-N 2.64Å; L277-Y280 WeakPolarHBondContact O-CB 3.48Å; L277-Y280 PolarHBondContact O-N 3.24Å; L277-F281 HydrophobicContact CD1-CE2 4.31Å; L277-F281 HydrophobicContact CD2-CE2 4.24Å; L277-F281 HydrophobicContact CG-CD2 4.17Å; L277-F281 HydrophobicContact CG-CE2 3.91Å; L277-F281 VanDerWaalsContact O-CD2 3.25Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 PolarHBondContact O-N 3.45Å; L277-F281 VanDerWaalsContact O-N 3.12Å; L277-A398 HydrophobicContact CB-CB 4.24Å; L277-I401 HydrophobicContact CD1-CB 4.35Å; L277-I401 HydrophobicContact CD1-CG2 4Å; L277-I401 HydrophobicContact CD2-CG2 3.89Å; L277-W402 HydrophobicContact CD1-CB 4.1Å; L277-F406 HydrophobicContact CD1-CD2 4.43Å; L277-F406 HydrophobicContact CD2-CE2 4.15Å; L277-W419 HydrophobicContact CD2-CD2 4.27Å; L277-W419 HydrophobicContact CD2-CG 4.27Å; L277-W419 HydrophobicContact CD2-CZ2 4.33Å
278M98.3Very high95.9Very high1 Ų113.6 Ų13.61%0.0058%0.08CC..Hα-helixtrans-67-30.1175.4-66.8-56.298.100112.5F135 L138 L142 Y143 F242 P274 S275 N276 F281 F282F135-M278 HydrophobicContact CE2-CG 4.18Å; F135-M278 HydrophobicContact CE2-SD 4.02Å; L138-M278 HydrophobicContact CD2-SD 4.24Å; L142-M278 HydrophobicContact CD1-CE 4.36Å; Y143-M278 WeakPolarHBondContact OH-CE 3.28Å; F242-M278 HydrophobicContact CB-CB 4.31Å; F242-M278 HydrophobicContact CD1-CB 4.49Å; F242-M278 VanDerWaalsContact O-CB 3.25Å; F242-M278 WeakPolarHBondContact O-CB 3.47Å; P274-M278 WeakPolarHBondContact O-CG 3.38Å; P274-M278 PolarHBondContact O-N 3.2Å; S275-M278 PolarHBondContact O-N 3.46Å; N276-M278 VanDerWaalsContact C-N 3.33Å; N276-M278 PolarHBondContact O-N 3.01Å; M278-F281 HydrophobicContact CE-CD2 3.52Å; M278-F281 HydrophobicContact CE-CE2 3.78Å; M278-F281 PolarHBondContact O-N 3.32Å; M278-F281 HydrophobicContact SD-CD2 4.37Å; M278-F282 PolarHBondContact O-N 3.48Å
279E97.6Very high96.2Very high23 Ų2312.8 Ų12.811%0.1078%0.078CC..Hα-helixtrans-61.6-44.7168.8-64.3176.7-152.800111.3E239 H243 S275 N276 L277 F281 F282 S283 R395E239-E279 HydrophobicContact CG-CB 4.34Å; E239-E279 HydrophobicContact CG-CG 3.97Å; H243-E279 HydrophobicContact CB-CG 4.21Å; H243-E279 IonicContact CE1-OE1 3.38Å; H243-E279 IonicContact CG-OE1 2.84Å; H243-E279 IonicContact ND1-OE1 3.26Å; H243-E279 PolarHBondContact ND1-OE1 2.96Å; S275-E279 PolarHBondContact O-N 3.03Å; N276-E279 WeakPolarHBondContact O-CB 3.48Å; N276-E279 PolarHBondContact O-N 3.02Å; L277-E279 VanDerWaalsContact C-N 3.3Å; L277-E279 PolarHBondContact O-N 2.64Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.31Å; E279-F282 PolarHBondContact O-N 2.91Å; E279-F282 VanDerWaalsContact O-N 3.15Å; E279-S283 VanDerWaalsContact O-CB 3.29Å; E279-S283 WeakPolarHBondContact O-CB 3.4Å; E279-S283 PolarHBondContact O-N 3.3Å; E279-S283 PolarHBondContact O-OG 3.39Å; E279-R395 IonicContact OE2-NH1 3.99Å; E279-R395 PolarHBondContact OE2-NH1 3.27Å
280Y96.9Very high96.4Very high24 Ų2415 Ų159%0.0949%0.089CC..Hα-helixtrans-61-37.4176.4-78.2-69.5000112.7N276 L277 S283 D284 A398 C399 W402 E455N276-Y280 VanDerWaalsContact O-CD2 3.27Å; N276-Y280 WeakPolarHBondContact O-CD2 3.32Å; N276-Y280 PolarHBondContact O-N 3.29Å; L277-Y280 WeakPolarHBondContact O-CB 3.48Å; L277-Y280 PolarHBondContact O-N 3.24Å; Y280-S283 PolarHBondContact O-N 3.24Å; Y280-D284 PolarHBondContact O-N 3.42Å; Y280-D284 VanDerWaalsContact O-N 3.16Å; Y280-A398 HydrophobicContact CD2-CB 4.05Å; Y280-A398 HydrophobicContact CE2-CB 3.92Å; Y280-C399 HydrophobicContact CE2-CB 4.04Å; Y280-C399 WeakPolarHBondContact OH-CB 3.3Å; Y280-W402 HydrophobicContact CD1-CB 4.45Å; Y280-W402 AromaticContact CD1-CD1 3.98Å; Y280-W402 HydrophobicContact CD1-CG 4.12Å; Y280-W402 HydrophobicContact CD2-CB 4.36Å; Y280-W402 HydrophobicContact CG-CB 4.06Å; Y280-W402 HydrophobicContact CG-CD2 4.44Å; Y280-W402 HydrophobicContact CG-CG 4.01Å; Y280-E455 PolarHBondContact OH-OE1 3.45Å; Y280-E455 PolarHBondContact OH-OE2 3.28Å
281F98.1Very high96.5Very high1 Ų115.2 Ų15.20%0.0049%0.09CC..Hα-helixtrans-63.9-46.6172.5-84.7-75.2000112.3L138 L142 L277 M278 E279 S283 D284 V287 W402 F406 P410L138-F281 HydrophobicContact CD1-CD1 3.71Å; L138-F281 HydrophobicContact CD1-CE1 4.09Å; L138-F281 HydrophobicContact CD1-CG 4.28Å; L138-F281 HydrophobicContact CD2-CB 3.69Å; L138-F281 HydrophobicContact CD2-CD1 4.2Å; L138-F281 HydrophobicContact CD2-CG 3.93Å; L142-F281 HydrophobicContact CD1-CD1 4.38Å; L142-F281 HydrophobicContact CD1-CD2 4.27Å; L142-F281 HydrophobicContact CD1-CE1 3.9Å; L142-F281 HydrophobicContact CD1-CE2 3.79Å; L142-F281 HydrophobicContact CD1-CZ 3.58Å; L142-F281 HydrophobicContact CD2-CE1 3.92Å; L142-F281 HydrophobicContact CD2-CZ 3.75Å; L142-F281 HydrophobicContact CG-CE1 4.43Å; L142-F281 HydrophobicContact CG-CZ 4.31Å; L277-F281 HydrophobicContact CD1-CE2 4.31Å; L277-F281 HydrophobicContact CD2-CE2 4.24Å; L277-F281 HydrophobicContact CG-CD2 4.17Å; L277-F281 HydrophobicContact CG-CE2 3.91Å; L277-F281 VanDerWaalsContact O-CD2 3.25Å; L277-F281 WeakPolarHBondContact O-CD2 3.47Å; L277-F281 PolarHBondContact O-N 3.45Å; L277-F281 VanDerWaalsContact O-N 3.12Å; M278-F281 HydrophobicContact CE-CD2 3.52Å; M278-F281 HydrophobicContact CE-CE2 3.78Å; M278-F281 PolarHBondContact O-N 3.32Å; M278-F281 HydrophobicContact SD-CD2 4.37Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.31Å; F281-S283 VanDerWaalsContact C-N 3.26Å; F281-S283 PolarHBondContact O-N 2.94Å; F281-D284 PolarHBondContact O-N 3.47Å; F281-V287 HydrophobicContact CD1-CG1 4.42Å; F281-V287 HydrophobicContact CD1-CG2 4.21Å; F281-V287 WeakPolarHBondContact O-CB 3.44Å; F281-V287 WeakPolarHBondContact O-CG1 3.42Å; F281-W402 HydrophobicContact CD1-CH2 4.41Å; F281-W402 AromaticContact CD1-CZ3 3.7Å; F281-W402 HydrophobicContact CD1-CZ3 3.7Å; F281-W402 HydrophobicContact CD2-CZ3 4.31Å; F281-W402 AromaticContact CE1-CZ3 3.75Å; F281-W402 HydrophobicContact CE1-CZ3 3.75Å; F281-W402 HydrophobicContact CE2-CZ3 4.36Å; F281-W402 AromaticContact CG-CZ3 3.99Å; F281-W402 HydrophobicContact CG-CZ3 3.99Å; F281-W402 HydrophobicContact CZ-CZ3 4.09Å; F281-F406 HydrophobicContact CE1-CD1 4.29Å; F281-F406 HydrophobicContact CE1-CG 4.46Å; F281-F406 HydrophobicContact CE2-CD2 4.4Å; F281-F406 HydrophobicContact CE2-CG 4.39Å; F281-F406 HydrophobicContact CZ-CB 4.15Å; F281-F406 AromaticContact CZ-CD1 3.61Å; F281-F406 HydrophobicContact CZ-CD1 3.61Å; F281-F406 HydrophobicContact CZ-CD2 4.12Å; F281-F406 AromaticContact CZ-CE1 3.93Å; F281-F406 HydrophobicContact CZ-CE1 3.93Å; F281-F406 HydrophobicContact CZ-CE2 4.42Å; F281-F406 AromaticContact CZ-CG 3.69Å; F281-F406 HydrophobicContact CZ-CG 3.69Å; F281-F406 HydrophobicContact CZ-CZ 4.33Å; F281-P410 HydrophobicContact CE1-CB 4.28Å; F281-P410 WeakPolarHBondContact CE1-O 3.15Å
282F97Very high96.5Very high0 Ų014.6 Ų14.60%09%0.086CC..Hα-helixtrans-62.7-37.9178.4-178.7-107.7000112F126 I131 F235 A238 E239 F242 M278 E279 D284 I292F126-F282 AromaticContact CE1-CZ 3.99Å; F126-F282 HydrophobicContact CE1-CZ 3.99Å; I131-F282 HydrophobicContact CD1-CE2 4.4Å; F235-F282 HydrophobicContact CD1-CE1 4.39Å; F235-F282 HydrophobicContact CD2-CE1 4.29Å; F235-F282 HydrophobicContact CD2-CZ 4.37Å; F235-F282 AromaticContact CE1-CE1 3.86Å; F235-F282 HydrophobicContact CE1-CE1 3.86Å; F235-F282 AromaticContact CE2-CE1 3.79Å; F235-F282 HydrophobicContact CE2-CE1 3.79Å; F235-F282 HydrophobicContact CE2-CZ 4.07Å; F235-F282 HydrophobicContact CZ-CD1 4.19Å; F235-F282 AromaticContact CZ-CE1 3.52Å; F235-F282 HydrophobicContact CZ-CE1 3.52Å; F235-F282 HydrophobicContact CZ-CZ 4.27Å; A238-F282 HydrophobicContact CB-CE1 4.26Å; A238-F282 HydrophobicContact CB-CE2 3.96Å; A238-F282 HydrophobicContact CB-CZ 3.46Å; A238-F282 VanDerWaalsContact CB-CZ 3.46Å; E239-F282 HydrophobicContact CB-CD1 3.77Å; E239-F282 HydrophobicContact CB-CE1 3.79Å; E239-F282 HydrophobicContact CG-CD1 4.18Å; F242-F282 HydrophobicContact CB-CB 4.11Å; F242-F282 HydrophobicContact CB-CG 4.5Å; F242-F282 HydrophobicContact CD1-CB 3.65Å; F242-F282 HydrophobicContact CD1-CD2 4.22Å; F242-F282 HydrophobicContact CD1-CG 4.32Å; F242-F282 HydrophobicContact CD2-CB 4.34Å; F242-F282 AromaticContact CD2-CD2 3.62Å; F242-F282 HydrophobicContact CD2-CD2 3.62Å; F242-F282 HydrophobicContact CD2-CE2 4.23Å; F242-F282 HydrophobicContact CD2-CG 4.16Å; F242-F282 HydrophobicContact CE1-CB 4.09Å; F242-F282 HydrophobicContact CE1-CD2 4.14Å; F242-F282 AromaticContact CE2-CD2 3.57Å; F242-F282 HydrophobicContact CE2-CD2 3.57Å; F242-F282 HydrophobicContact CE2-CE2 4.09Å; F242-F282 HydrophobicContact CE2-CG 4.48Å; F242-F282 HydrophobicContact CG-CB 3.78Å; F242-F282 AromaticContact CG-CD2 3.96Å; F242-F282 HydrophobicContact CG-CD2 3.96Å; F242-F282 HydrophobicContact CG-CG 4.08Å; F242-F282 AromaticContact CZ-CD2 3.84Å; F242-F282 HydrophobicContact CZ-CD2 3.84Å; M278-F282 PolarHBondContact O-N 3.48Å; E279-F282 PolarHBondContact O-N 2.91Å; E279-F282 VanDerWaalsContact O-N 3.15Å; F282-D284 VanDerWaalsContact C-N 3.33Å; F282-D284 PolarHBondContact O-N 3.01Å; F282-I292 HydrophobicContact CE2-CD1 4.36Å
283S93.9Very high96.5Very high19 Ų1916.1 Ų16.113%0.1339%0.091CC..THydrogen-bonded Turntrans-90.89.9-174.9-61.70000114E239 E279 Y280 F281 L311E239-S283 PolarHBondContact OE1-OG 3.16Å; E279-S283 VanDerWaalsContact O-CB 3.29Å; E279-S283 WeakPolarHBondContact O-CB 3.4Å; E279-S283 PolarHBondContact O-N 3.3Å; E279-S283 PolarHBondContact O-OG 3.39Å; Y280-S283 PolarHBondContact O-N 3.24Å; F281-S283 VanDerWaalsContact C-N 3.26Å; F281-S283 PolarHBondContact O-N 2.94Å; S283-L311 VanDerWaalsContact CA-CD2 3.48Å; S283-L311 WeakPolarHBondContact O-CD2 3.38Å
284D95.5Very high96.3Very high33 Ų3318.1 Ų18.118%0.17610%0.099CC..  trans-88.4131168.2179.1-96.1000111.1Y280 F281 F282 G286 V287 M288 W402Y280-D284 PolarHBondContact O-N 3.42Å; Y280-D284 VanDerWaalsContact O-N 3.16Å; F281-D284 PolarHBondContact O-N 3.47Å; F282-D284 VanDerWaalsContact C-N 3.33Å; F282-D284 PolarHBondContact O-N 3.01Å; D284-G286 VanDerWaalsContact C-N 3.34Å; D284-G286 PolarHBondContact O-N 3.31Å; D284-G286 WeakPolarHBondContact OD1-CA 3.5Å; D284-G286 PolarHBondContact OD1-N 2.95Å; D284-V287 HydrophobicContact CB-CB 4Å; D284-V287 HydrophobicContact CB-CG2 3.94Å; D284-V287 PolarHBondContact O-N 2.84Å; D284-V287 WeakPolarHBondContact OD1-CG2 3.34Å; D284-V287 PolarHBondContact OD1-N 3.49Å; D284-M288 VanDerWaalsContact O-CB 3.26Å; D284-M288 WeakPolarHBondContact O-CB 3.43Å; D284-M288 PolarHBondContact O-N 3.26Å; D284-W402 HydrophobicContact CB-CH2 3.59Å; D284-W402 HydrophobicContact CB-CZ2 3.57Å
285L94.9Very high95.9Very high62 Ų6220.3 Ų20.333%0.32511%0.112SC..Hα-helixtrans-59.8-43.1-177.2179.361.1000112.4T289 I304 A307 A308 L311L285-T289 HydrophobicContact CD1-CG2 4.15Å; L285-T289 WeakPolarHBondContact O-CB 3.22Å; L285-T289 VanDerWaalsContact O-CG2 3.28Å; L285-T289 WeakPolarHBondContact O-CG2 3.42Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 VanDerWaalsContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 2.96Å; L285-I304 HydrophobicContact CD1-CG2 4.33Å; L285-I304 HydrophobicContact CD2-CG2 4.13Å; L285-A307 HydrophobicContact CD1-CB 3.47Å; L285-A307 VanDerWaalsContact CD1-CB 3.47Å; L285-A308 HydrophobicContact CD1-CB 4.31Å; L285-L311 HydrophobicContact CB-CD1 4.06Å; L285-L311 HydrophobicContact CD1-CD1 4.34Å
286G94.9Very high95.6Very high39 Ų3925 Ų2540%0.40214%0.137SC..Hα-helixtrans-70-43.5-179.900000111.7D284 T289 D290D284-G286 VanDerWaalsContact C-N 3.34Å; D284-G286 PolarHBondContact O-N 3.31Å; D284-G286 WeakPolarHBondContact OD1-CA 3.5Å; D284-G286 PolarHBondContact OD1-N 2.95Å; G286-T289 PolarHBondContact O-OG1 2.87Å; G286-D290 VanDerWaalsContact O-CB 3.22Å; G286-D290 WeakPolarHBondContact O-CB 3.44Å; G286-D290 PolarHBondContact O-N 2.77Å
287V96.4Very high95.4Very high0 Ų030.3 Ų30.30%016%0.156CC..Hα-helixtrans-64.5-51.2176.9176.50000110.6L138 F281 D284 T289 D290 I291 W402 P410 F411L138-V287 HydrophobicContact CD1-CG1 4.39Å; F281-V287 HydrophobicContact CD1-CG1 4.42Å; F281-V287 HydrophobicContact CD1-CG2 4.21Å; F281-V287 WeakPolarHBondContact O-CB 3.44Å; F281-V287 WeakPolarHBondContact O-CG1 3.42Å; D284-V287 HydrophobicContact CB-CB 4Å; D284-V287 HydrophobicContact CB-CG2 3.94Å; D284-V287 PolarHBondContact O-N 2.84Å; D284-V287 WeakPolarHBondContact OD1-CG2 3.34Å; D284-V287 PolarHBondContact OD1-N 3.49Å; V287-T289 PolarHBondContact O-N 3.49Å; V287-D290 PolarHBondContact O-N 3.4Å; V287-I291 HydrophobicContact CG1-CD1 3.68Å; V287-I291 HydrophobicContact CG1-CG1 4.23Å; V287-I291 HydrophobicContact CG1-CG2 4.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.38Å; V287-I291 PolarHBondContact O-N 2.7Å; V287-W402 HydrophobicContact CG2-CH2 4.4Å; V287-P410 HydrophobicContact CG2-CB 3.32Å; V287-P410 HydrophobicContact CG2-CG 3.91Å; V287-F411 HydrophobicContact CB-CZ 4.34Å; V287-F411 HydrophobicContact CG1-CE1 4.37Å; V287-F411 HydrophobicContact CG1-CZ 4.14Å; V287-F411 HydrophobicContact CG2-CE2 4.41Å; V287-F411 HydrophobicContact CG2-CZ 4.1Å
288M95.6Very high95.1Very high0 Ų034.2 Ų34.20%018%0.182CC..Hα-helixtrans-59-47.2-178.3-173.4170.860.600111.6F126 F235 D284 D290 I292 L302 A307 L311F126-M288 HydrophobicContact CZ-SD 4.2Å; F235-M288 HydrophobicContact CE2-CE 4.44Å; F235-M288 HydrophobicContact CE2-SD 3.71Å; F235-M288 HydrophobicContact CZ-SD 4.42Å; D284-M288 VanDerWaalsContact O-CB 3.26Å; D284-M288 WeakPolarHBondContact O-CB 3.43Å; D284-M288 PolarHBondContact O-N 3.26Å; M288-D290 PolarHBondContact O-N 2.85Å; M288-I292 HydrophobicContact CG-CB 4.5Å; M288-I292 HydrophobicContact CG-CG1 3.85Å; M288-I292 VanDerWaalsContact O-CB 3.25Å; M288-I292 WeakPolarHBondContact O-CB 3.39Å; M288-I292 WeakPolarHBondContact O-CG1 2.98Å; M288-I292 PolarHBondContact O-N 3.29Å; M288-L302 HydrophobicContact CE-CD2 4.1Å; M288-L302 HydrophobicContact CG-CD2 4.32Å; M288-L302 HydrophobicContact SD-CD2 4.26Å; M288-A307 VanDerWaalsContact CE-CA 3.45Å; M288-A307 HydrophobicContact CE-CB 3.34Å; M288-L311 HydrophobicContact CE-CD1 3.85Å; M288-L311 HydrophobicContact CE-CD2 4.24Å; M288-L311 HydrophobicContact CE-CG 3.84Å
289T94.8Very high94.7Very high19 Ų1940.9 Ų40.912%0.11721%0.213CC..Hα-helixtrans-69.8-15.6177.357.60000113.1L285 G286 V287 R293 I304 A307L285-T289 HydrophobicContact CD1-CG2 4.15Å; L285-T289 WeakPolarHBondContact O-CB 3.22Å; L285-T289 VanDerWaalsContact O-CG2 3.28Å; L285-T289 WeakPolarHBondContact O-CG2 3.42Å; L285-T289 PolarHBondContact O-N 3.37Å; L285-T289 VanDerWaalsContact O-N 3.09Å; L285-T289 PolarHBondContact O-OG1 2.96Å; G286-T289 PolarHBondContact O-OG1 2.87Å; V287-T289 PolarHBondContact O-N 3.49Å; T289-R293 PolarHBondContact O-NH1 2.96Å; T289-I304 HydrophobicContact CG2-CG1 4.42Å; T289-A307 HydrophobicContact CG2-CB 3.72Å
290D94.9Very high94.6Very high49 Ų4942.6 Ų42.626%0.26222%0.221SC..Hα-helixtrans-92-38.1175.5-171.6-100.9000114.2R141 G286 V287 M288 R293 F411R141-D290 IonicContact CZ-OD1 3.68Å; R141-D290 IonicContact NH1-OD1 2.92Å; R141-D290 PolarHBondContact NH1-OD1 3.03Å; R141-D290 IonicContact NH2-OD1 3.05Å; R141-D290 PolarHBondContact NH2-OD1 3.49Å; G286-D290 VanDerWaalsContact O-CB 3.22Å; G286-D290 WeakPolarHBondContact O-CB 3.44Å; G286-D290 PolarHBondContact O-N 2.77Å; V287-D290 PolarHBondContact O-N 3.4Å; M288-D290 PolarHBondContact O-N 2.85Å; D290-R293 PolarHBondContact O-NH1 3.16Å; D290-R293 PolarHBondContact O-NH2 2.95Å; D290-R293 IonicContact OD2-NH2 3.76Å; D290-F411 HydrophobicContact CB-CE2 4.22Å; D290-F411 HydrophobicContact CB-CZ 4.13Å
291I96.1Very high94.5Very high5 Ų547 Ų473%0.02624%0.242CC..Hα-helixtrans-99.4-27-173.674-179.3000113.2G134 T137 L138 F242 V287 R293 F411G134-I291 WeakPolarHBondContact CA-O 3.19Å; T137-I291 HydrophobicContact CG2-CG2 4.37Å; L138-I291 HydrophobicContact CB-CD1 4.11Å; L138-I291 HydrophobicContact CD2-CD1 4.39Å; F242-I291 HydrophobicContact CE1-CD1 3.91Å; F242-I291 HydrophobicContact CZ-CD1 3.74Å; V287-I291 HydrophobicContact CG1-CD1 3.68Å; V287-I291 HydrophobicContact CG1-CG1 4.23Å; V287-I291 HydrophobicContact CG1-CG2 4.31Å; V287-I291 WeakPolarHBondContact O-CG1 3.38Å; V287-I291 PolarHBondContact O-N 2.7Å; I291-R293 PolarHBondContact O-N 2.91Å; I291-F411 HydrophobicContact CG2-CE1 3.86Å; I291-F411 HydrophobicContact CG2-CZ 3.79Å
292I96.2Very high94.3Very high0 Ų047.1 Ų47.10%024%0.243CC..  trans-83.8118.4179.8-54.2-56.1000109.1F125 I131 F282 M288F125-I292 HydrophobicContact CB-CG2 4.01Å; F125-I292 VanDerWaalsContact O-CG2 3.28Å; F125-I292 WeakPolarHBondContact O-CG2 3.35Å; I131-I292 HydrophobicContact CD1-CD1 3.95Å; F282-I292 HydrophobicContact CE2-CD1 4.36Å; M288-I292 HydrophobicContact CG-CB 4.5Å; M288-I292 HydrophobicContact CG-CG1 3.85Å; M288-I292 VanDerWaalsContact O-CB 3.25Å; M288-I292 WeakPolarHBondContact O-CB 3.39Å; M288-I292 WeakPolarHBondContact O-CG1 2.98Å; M288-I292 PolarHBondContact O-N 3.29Å
293R95.8Very high94.1Very high50 Ų5049.7 Ų49.719%0.18926%0.261CS..BIsolated β-bridgetrans-133.2152.8-179-65.7-63.9-176.2-88-3.2110.6S130 T289 D290 I291 P298 E300 Q301S130-R293 WeakPolarHBondContact CB-O 3.36Å; S130-R293 PolarHBondContact OG-O 3.46Å; T289-R293 PolarHBondContact O-NH1 2.96Å; D290-R293 PolarHBondContact O-NH1 3.16Å; D290-R293 PolarHBondContact O-NH2 2.95Å; D290-R293 IonicContact OD2-NH2 3.76Å; I291-R293 PolarHBondContact O-N 2.91Å; R293-P298 WeakPolarHBondContact CD-O 3.41Å; R293-E300 WeakPolarHBondContact CD-O 3.25Å; R293-Q301 VanDerWaalsContact NH2-NE2 3.1Å
294R94.2Very high94.2Very high43 Ų4354.3 Ų54.316%0.16228%0.283CS..  trans-67.6146.4166.5-62.4173.760.6125.32.5109.9P124 F125 D296 R297 P298 E300P124-R294 HydrophobicContact CB-CG 4.21Å; P124-R294 VanDerWaalsContact CB-CZ 3.5Å; P124-R294 VanDerWaalsContact CB-NH1 3.29Å; F125-R294 HydrophobicContact CD1-CG 3.67Å; F125-R294 HydrophobicContact CD2-CG 4.25Å; F125-R294 HydrophobicContact CE1-CG 3.53Å; F125-R294 HydrophobicContact CE2-CG 4.13Å; F125-R294 HydrophobicContact CG-CG 4.02Å; F125-R294 HydrophobicContact CZ-CG 3.77Å; R294-D296 WeakPolarHBondContact CB-OD1 3.39Å; R294-D296 IonicContact CZ-OD1 3.41Å; R294-D296 IonicContact CZ-OD2 3.62Å; R294-D296 IonicContact NE-OD1 2.73Å; R294-D296 PolarHBondContact NE-OD1 3.22Å; R294-D296 IonicContact NE-OD2 3.33Å; R294-D296 IonicContact NH2-OD1 2.68Å; R294-D296 PolarHBondContact NH2-OD1 3.15Å; R294-D296 VanDerWaalsContact NH2-OD1 3.16Å; R294-D296 IonicContact NH2-OD2 3.22Å; R294-D296 PolarHBondContact NH2-OD2 3.34Å; R294-R297 HydrophobicContact CB-CB 4.39Å; R294-R297 CarbonylContact O-C 3.59Å; R294-P298 WeakPolarHBondContact O-CA 3.49Å; R294-E300 WeakPolarHBondContact CD-OE2 3.47Å; R294-E300 IonicContact CZ-OE2 3.43Å; R294-E300 IonicContact NE-OE2 3.14Å; R294-E300 IonicContact NH1-OE2 3.83Å
295T89.8Confident94.1Very high49 Ų4960.1 Ų60.130%0.30131%0.309SS..SBendtrans-76.4-33.6177.248.80000112.5N129N129-T295 HydrophobicContact CB-CG2 3.44Å; N129-T295 VanDerWaalsContact CB-CG2 3.44Å
296D91.3Very high94.1Very high98 Ų9857.5 Ų57.552%0.52430%0.296SS..SBendtrans-84-22.6179.966.4-30.3000113.4R294R294-D296 WeakPolarHBondContact CB-OD1 3.39Å; R294-D296 IonicContact CZ-OD1 3.41Å; R294-D296 IonicContact CZ-OD2 3.62Å; R294-D296 IonicContact NE-OD1 2.73Å; R294-D296 PolarHBondContact NE-OD1 3.22Å; R294-D296 IonicContact NE-OD2 3.33Å; R294-D296 IonicContact NH2-OD1 2.68Å; R294-D296 PolarHBondContact NH2-OD1 3.15Å; R294-D296 VanDerWaalsContact NH2-OD1 3.16Å; R294-D296 IonicContact NH2-OD2 3.22Å; R294-D296 PolarHBondContact NH2-OD2 3.34Å
297R93.3Very high94.1Very high121 Ų12155.6 Ų55.646%0.45728%0.277SS..  trans-139.775.4179.6-62.3-173.7-174.3-178.3-1.2111.4R294 E299 E300R294-R297 HydrophobicContact CB-CB 4.39Å; R294-R297 CarbonylContact O-C 3.59Å; R297-E299 VanDerWaalsContact C-OE2 3.26Å; R297-E299 PolarHBondContact O-N 3.08Å; R297-E299 VanDerWaalsContact O-N 3.1Å; R297-E300 HydrophobicContact CB-CB 4.31Å; R297-E300 HydrophobicContact CB-CG 4Å; R297-E300 VanDerWaalsContact CD-CD 3.48Å; R297-E300 WeakPolarHBondContact CD-OE1 3.42Å; R297-E300 IonicContact CZ-OE1 3.65Å; R297-E300 IonicContact NE-OE1 3.73Å; R297-E300 IonicContact NH1-OE1 3.93Å; R297-E300 PolarHBondContact NH1-OE1 3.37Å; R297-E300 PolarHBondContact O-N 3Å
298P90.6Very high94Very high82 Ų8257.6 Ų57.653%0.53229%0.293SS..THydrogen-bonded Turntrans-63.1-15.8-174-23.235.4000115.1R293 R294R293-P298 WeakPolarHBondContact CD-O 3.41Å; R294-P298 WeakPolarHBondContact O-CA 3.49Å
299E91.9Very high93.9Very high141 Ų14159 Ų5966%0.65930%0.302SS*.THydrogen-bonded Turntrans-78.3-22.3174.571.3-74.1177.200113.6R297R297-E299 VanDerWaalsContact C-OE2 3.26Å; R297-E299 PolarHBondContact O-N 3.08Å; R297-E299 VanDerWaalsContact O-N 3.1Å
300E93.9Very high93.8Very high60 Ų6058.6 Ų58.628%0.2830%0.299SS..  trans-77.8136.7177.6-71.1-174.6-169.500110.6F125 R293 R294 R297F125-E300 HydrophobicContact CE1-CB 4.38Å; F125-E300 HydrophobicContact CZ-CB 4.27Å; R293-E300 WeakPolarHBondContact CD-O 3.25Å; R294-E300 WeakPolarHBondContact CD-OE2 3.47Å; R294-E300 IonicContact CZ-OE2 3.43Å; R294-E300 IonicContact NE-OE2 3.14Å; R294-E300 IonicContact NH1-OE2 3.83Å; R297-E300 HydrophobicContact CB-CB 4.31Å; R297-E300 HydrophobicContact CB-CG 4Å; R297-E300 VanDerWaalsContact CD-CD 3.48Å; R297-E300 WeakPolarHBondContact CD-OE1 3.42Å; R297-E300 IonicContact CZ-OE1 3.65Å; R297-E300 IonicContact NE-OE1 3.73Å; R297-E300 IonicContact NH1-OE1 3.93Å; R297-E300 PolarHBondContact NH1-OE1 3.37Å; R297-E300 PolarHBondContact O-N 3Å
301Q94.4Very high93.7Very high116 Ų11657.1 Ų57.154%0.54229%0.291SS..BIsolated β-bridgetrans-106.9149.1177.5-62.8-174.9-29.700110.8F125 R293 S303F125-Q301 WeakPolarHBondContact CE1-O 3.32Å; F125-Q301 VanDerWaalsContact CZ-O 3.26Å; F125-Q301 WeakPolarHBondContact CZ-O 3.46Å; R293-Q301 VanDerWaalsContact NH2-NE2 3.1Å; Q301-S303 PolarHBondContact O-N 3.4Å
302L94.1Very high93.5Very high3 Ų358.7 Ų58.72%0.01630%0.304CS..  trans-60.8131.2166.5-178.564.7000107.9F125 F126 M288 A307F125-L302 HydrophobicContact CB-CD1 4.3Å; F125-L302 HydrophobicContact CD1-CB 4.08Å; F125-L302 HydrophobicContact CD2-CD1 3.93Å; F125-L302 HydrophobicContact CE1-CB 4.4Å; F125-L302 HydrophobicContact CE2-CD1 4.47Å; F125-L302 HydrophobicContact CG-CB 4.21Å; F125-L302 HydrophobicContact CG-CD1 4.09Å; F126-L302 HydrophobicContact CE2-CD1 4.37Å; F126-L302 HydrophobicContact CE2-CD2 3.84Å; F126-L302 HydrophobicContact CZ-CD2 4.15Å; M288-L302 HydrophobicContact CE-CD2 4.1Å; M288-L302 HydrophobicContact CG-CD2 4.32Å; M288-L302 HydrophobicContact SD-CD2 4.26Å; L302-A307 HydrophobicContact CD2-CB 3.88Å; L302-A307 HydrophobicContact CG-CB 4.19Å
303S94.6Very high93.4Very high54 Ų5459.2 Ų59.238%0.37831%0.308SS..  trans-61.9142.3179.972.70000110.1Q301 E305 S306 A307Q301-S303 PolarHBondContact O-N 3.4Å; S303-E305 PolarHBondContact O-N 2.87Å; S303-S306 PolarHBondContact O-N 3.28Å; S303-S306 WeakPolarHBondContact OG-CB 3.47Å; S303-S306 PolarHBondContact OG-N 3.46Å; S303-S306 VanDerWaalsContact OG-N 3.09Å; S303-S306 PolarHBondContact OG-OG 2.89Å; S303-A307 VanDerWaalsContact O-CB 3.26Å; S303-A307 WeakPolarHBondContact O-CB 3.34Å; S303-A307 PolarHBondContact O-N 2.86Å
304I94.9Very high93.1Very high116 Ų11659.3 Ų59.360%0.59531%0.308SS*.Hα-helixtrans-57-37.7177.6-67174.4000110.6L285 T289 A308L285-I304 HydrophobicContact CD1-CG2 4.33Å; L285-I304 HydrophobicContact CD2-CG2 4.13Å; T289-I304 HydrophobicContact CG2-CG1 4.42Å; I304-A308 WeakPolarHBondContact O-CB 3.49Å; I304-A308 PolarHBondContact O-N 3.31Å
305E94.3Very high93Very high155 Ų15558 Ų5872%0.72430%0.304SS*.Hα-helixtrans-63.7-53.6177.8-175.3177.7-174.400111.7S303 A307 A308 T309S303-E305 PolarHBondContact O-N 2.87Å; E305-A307 VanDerWaalsContact C-N 3.29Å; E305-A307 PolarHBondContact O-N 3.4Å; E305-A308 PolarHBondContact O-N 3.38Å; E305-T309 WeakPolarHBondContact O-CB 3.32Å; E305-T309 PolarHBondContact O-N 3.39Å; E305-T309 PolarHBondContact O-OG1 2.61Å
306S94Very high93.1Very high7 Ų755.7 Ų55.75%0.04929%0.29CS..Hα-helixtrans-61.9-40.1178.3-61.30000111.7S303 T309 L310S303-S306 PolarHBondContact O-N 3.28Å; S303-S306 WeakPolarHBondContact OG-CB 3.47Å; S303-S306 PolarHBondContact OG-N 3.46Å; S303-S306 VanDerWaalsContact OG-N 3.09Å; S303-S306 PolarHBondContact OG-OG 2.89Å; S306-T309 PolarHBondContact O-N 2.76Å; S306-L310 VanDerWaalsContact O-CG 3.25Å; S306-L310 WeakPolarHBondContact O-CG 3.46Å; S306-L310 PolarHBondContact O-N 3.19Å
307A94.4Very high93.2Very high0 Ų051 Ų510%027%0.265CS..Hα-helixtrans-59.2-52.517500000112L285 M288 T289 L302 S303 E305 T309 L310 L311L285-A307 HydrophobicContact CD1-CB 3.47Å; L285-A307 VanDerWaalsContact CD1-CB 3.47Å; M288-A307 VanDerWaalsContact CE-CA 3.45Å; M288-A307 HydrophobicContact CE-CB 3.34Å; T289-A307 HydrophobicContact CG2-CB 3.72Å; L302-A307 HydrophobicContact CD2-CB 3.88Å; L302-A307 HydrophobicContact CG-CB 4.19Å; S303-A307 VanDerWaalsContact O-CB 3.26Å; S303-A307 WeakPolarHBondContact O-CB 3.34Å; S303-A307 PolarHBondContact O-N 2.86Å; E305-A307 VanDerWaalsContact C-N 3.29Å; E305-A307 PolarHBondContact O-N 3.4Å; A307-T309 VanDerWaalsContact C-N 3.32Å; A307-T309 PolarHBondContact O-N 3.04Å; A307-L310 PolarHBondContact O-N 3Å; A307-L311 VanDerWaalsContact O-CG 3.28Å; A307-L311 WeakPolarHBondContact O-CG 3.23Å; A307-L311 PolarHBondContact O-N 3.47Å
308A94.1Very high93.3Very high41 Ų4145.6 Ų45.634%0.33925%0.245SC..Hα-helixtrans-61.8-40179.600000111.9L285 I304 E305 L311 A312L285-A308 HydrophobicContact CD1-CB 4.31Å; I304-A308 WeakPolarHBondContact O-CB 3.49Å; I304-A308 PolarHBondContact O-N 3.31Å; E305-A308 PolarHBondContact O-N 3.38Å; A308-L311 PolarHBondContact O-N 2.67Å; A308-A312 VanDerWaalsContact O-CB 3.28Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.35Å
309T94.1Very high93.6Very high31 Ų3141.7 Ų41.719%0.1922%0.22CC..Hα-helixtrans-66.1-42.7178.2-59.50000112.4Y113 I115 V118 E305 S306 A307 L311 A312 S313Y113-T309 HydrophobicContact CD1-CG2 4.27Å; Y113-T309 HydrophobicContact CG-CG2 4.38Å; Y113-T309 VanDerWaalsContact O-CG2 3.23Å; Y113-T309 WeakPolarHBondContact O-CG2 3.37Å; I115-T309 HydrophobicContact CD1-CG2 4.37Å; V118-T309 HydrophobicContact CG1-CG2 4.47Å; V118-T309 HydrophobicContact CG2-CG2 3.88Å; E305-T309 WeakPolarHBondContact O-CB 3.32Å; E305-T309 PolarHBondContact O-N 3.39Å; E305-T309 PolarHBondContact O-OG1 2.61Å; S306-T309 PolarHBondContact O-N 2.76Å; A307-T309 VanDerWaalsContact C-N 3.32Å; A307-T309 PolarHBondContact O-N 3.04Å; T309-L311 VanDerWaalsContact C-N 3.35Å; T309-L311 PolarHBondContact O-N 3.28Å; T309-A312 PolarHBondContact O-N 2.85Å; T309-S313 VanDerWaalsContact O-CB 3.3Å; T309-S313 WeakPolarHBondContact O-CB 3.34Å; T309-S313 PolarHBondContact O-N 3.36Å
310L93.3Very high93.8Very high10 Ų1035 Ų355%0.05219%0.189CC..Hα-helixtrans-61.2-44.1175.2-71.7167.6000111.4V118 F126 F235 S306 A307 R314V118-L310 HydrophobicContact CG1-CD1 4.42Å; V118-L310 HydrophobicContact CG1-CD2 4.11Å; V118-L310 HydrophobicContact CG1-CG 3.87Å; F126-L310 HydrophobicContact CE2-CD1 3.81Å; F126-L310 HydrophobicContact CZ-CD1 3.87Å; F235-L310 HydrophobicContact CB-CD2 4.49Å; F235-L310 HydrophobicContact CD2-CB 3.83Å; F235-L310 HydrophobicContact CD2-CD1 4.04Å; F235-L310 HydrophobicContact CD2-CD2 4.39Å; F235-L310 HydrophobicContact CD2-CG 4.3Å; F235-L310 HydrophobicContact CE2-CB 3.91Å; F235-L310 HydrophobicContact CG-CB 4.48Å; S306-L310 VanDerWaalsContact O-CG 3.25Å; S306-L310 WeakPolarHBondContact O-CG 3.46Å; S306-L310 PolarHBondContact O-N 3.19Å; A307-L310 PolarHBondContact O-N 3Å; L310-R314 WeakPolarHBondContact O-CB 3.5Å; L310-R314 PolarHBondContact O-N 2.94Å
311L92.9Very high93.8Very high17 Ų1734.8 Ų34.89%0.08919%0.188CC..Hα-helixtrans-65-48.6177.7-67.8173.5000112.1F235 S283 L285 M288 A307 A308 T309 S313 R314 H315F235-L311 HydrophobicContact CE2-CD2 4.42Å; F235-L311 HydrophobicContact CZ-CD2 3.75Å; S283-L311 VanDerWaalsContact CA-CD2 3.48Å; S283-L311 WeakPolarHBondContact O-CD2 3.38Å; L285-L311 HydrophobicContact CB-CD1 4.06Å; L285-L311 HydrophobicContact CD1-CD1 4.34Å; M288-L311 HydrophobicContact CE-CD1 3.85Å; M288-L311 HydrophobicContact CE-CD2 4.24Å; M288-L311 HydrophobicContact CE-CG 3.84Å; A307-L311 VanDerWaalsContact O-CG 3.28Å; A307-L311 WeakPolarHBondContact O-CG 3.23Å; A307-L311 PolarHBondContact O-N 3.47Å; A308-L311 PolarHBondContact O-N 2.67Å; T309-L311 VanDerWaalsContact C-N 3.35Å; T309-L311 PolarHBondContact O-N 3.28Å; L311-S313 VanDerWaalsContact C-N 3.29Å; L311-S313 PolarHBondContact O-N 2.9Å; L311-R314 PolarHBondContact O-N 3.35Å; L311-H315 WeakPolarHBondContact O-CB 3.45Å; L311-H315 PolarHBondContact O-CD2 3.19Å; L311-H315 PolarHBondContact O-N 2.91Å
312A92.4Very high94Very high38 Ų3829.7 Ų29.731%0.31416%0.164SC..Hα-helixtrans-59.5-42.2178.700000111.3Y113 A308 T309 H315 S316Y113-A312 HydrophobicContact CD1-CB 4.35Å; Y113-A312 HydrophobicContact CE1-CB 3.74Å; A308-A312 VanDerWaalsContact O-CB 3.28Å; A308-A312 WeakPolarHBondContact O-CB 3.47Å; A308-A312 PolarHBondContact O-N 3.35Å; T309-A312 PolarHBondContact O-N 2.85Å; A312-H315 PolarHBondContact O-N 2.97Å; A312-S316 PolarHBondContact O-N 3.35Å
313S92.6Very high94.1Very high11 Ų1129.6 Ų29.68%0.07716%0.164CC..Hα-helixtrans-65.6-45.4176.1-179.30000112.9R109 I115 T309 L311 H315 S316R109-S313 PolarHBondContact NE-O 2.87Å; I115-S313 VanDerWaalsContact CD1-CB 3.44Å; I115-S313 WeakPolarHBondContact CD1-OG 3.4Å; I115-S313 WeakPolarHBondContact CG1-OG 3.41Å; T309-S313 VanDerWaalsContact O-CB 3.3Å; T309-S313 WeakPolarHBondContact O-CB 3.34Å; T309-S313 PolarHBondContact O-N 3.36Å; L311-S313 VanDerWaalsContact C-N 3.29Å; L311-S313 PolarHBondContact O-N 2.9Å; S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 3.25Å; S313-S316 PolarHBondContact O-N 2.83Å; S313-S316 PolarHBondContact O-OG 2.72Å
314R90.4Very high94.3Very high52 Ų5229.3 Ų29.320%0.19616%0.157CC..Hα-helixtrans-58.1-39.9177.2171.959.7-176.291.80.8112.5F235 E239 L310 L311 E321F235-R314 HydrophobicContact CD1-CB 4.26Å; F235-R314 HydrophobicContact CD1-CG 4.4Å; F235-R314 HydrophobicContact CE1-CB 3.88Å; F235-R314 HydrophobicContact CE1-CG 3.9Å; E239-R314 IonicContact OE1-NE 3.16Å; E239-R314 IonicContact OE1-NH2 3.6Å; E239-R314 IonicContact OE2-CZ 3.06Å; E239-R314 VanDerWaalsContact OE2-CZ 3.3Å; E239-R314 IonicContact OE2-NE 3.67Å; E239-R314 PolarHBondContact OE2-NE 3.44Å; E239-R314 IonicContact OE2-NH2 3.47Å; E239-R314 PolarHBondContact OE2-NH2 3.31Å; L310-R314 WeakPolarHBondContact O-CB 3.5Å; L310-R314 PolarHBondContact O-N 2.94Å; L311-R314 PolarHBondContact O-N 3.35Å; R314-E321 IonicContact NH1-OE2 2.75Å
315H91.2Very high94.4Very high17 Ų1726.8 Ų26.88%0.07914%0.142CC..Hα-helixtrans-93.8-3.3-174.7-70.9-56000114.1L311 A312 S313 F317 T318 L459L311-H315 WeakPolarHBondContact O-CB 3.45Å; L311-H315 PolarHBondContact O-CD2 3.19Å; L311-H315 PolarHBondContact O-N 2.91Å; A312-H315 PolarHBondContact O-N 2.97Å; S313-H315 VanDerWaalsContact C-N 3.26Å; S313-H315 PolarHBondContact O-N 3.25Å; H315-F317 PolarHBondContact O-N 2.68Å; H315-T318 PolarHBondContact O-N 2.94Å; H315-T318 PolarHBondContact O-OG1 2.98Å; H315-L459 HydrophobicContact CB-CB 4.06Å; H315-L459 HydrophobicContact CB-CD1 3.46Å; H315-L459 VanDerWaalsContact CB-CD1 3.46Å; H315-L459 HydrophobicContact CB-CD2 3.69Å; H315-L459 HydrophobicContact CB-CG 3.88Å
316S91.8Very high94.6Very high0 Ų019.4 Ų19.40%011%0.108CC..THydrogen-bonded Turntrans-58.8138.316765.30000110.1R109 A312 S313 T318R109-S316 WeakPolarHBondContact CG-OG 3.21Å; R109-S316 PolarHBondContact NE-OG 2.84Å; R109-S316 PolarHBondContact NH2-O 3.35Å; A312-S316 PolarHBondContact O-N 3.35Å; S313-S316 PolarHBondContact O-N 2.83Å; S313-S316 PolarHBondContact O-OG 2.72Å; S316-T318 VanDerWaalsContact C-N 3.34Å; S316-T318 PolarHBondContact O-N 3.34Å
317F94.8Very high94.8Very high0 Ų019.1 Ų19.10%011%0.106CC..THydrogen-bonded Turntrans6824.5-179.7-49.9-75.6000115.7E70 V73 L74 M105 Y108 H315 A319 I320 E321 L462E70-F317 HydrophobicContact CB-CD1 4Å; E70-F317 HydrophobicContact CG-CD1 4.32Å; E70-F317 WeakPolarHBondContact OE1-CA 3.45Å; E70-F317 WeakPolarHBondContact OE2-CA 3.24Å; V73-F317 HydrophobicContact CB-CE1 4.48Å; V73-F317 HydrophobicContact CG1-CE1 4.25Å; V73-F317 HydrophobicContact CG1-CZ 4.27Å; L74-F317 HydrophobicContact CD1-CD1 4.34Å; L74-F317 HydrophobicContact CD1-CE1 4.33Å; L74-F317 HydrophobicContact CD2-CD1 4.09Å; L74-F317 HydrophobicContact CD2-CE1 3.38Å; L74-F317 HydrophobicContact CD2-CE2 4.17Å; L74-F317 HydrophobicContact CD2-CZ 3.42Å; L74-F317 VanDerWaalsContact CD2-CZ 3.42Å; L74-F317 HydrophobicContact CG-CD1 4.11Å; L74-F317 HydrophobicContact CG-CE1 3.62Å; L74-F317 HydrophobicContact CG-CZ 4.2Å; M105-F317 HydrophobicContact CB-CD2 3.87Å; M105-F317 HydrophobicContact CB-CE2 4.08Å; M105-F317 HydrophobicContact CB-CG 4.45Å; M105-F317 HydrophobicContact CE-CB 3.44Å; M105-F317 VanDerWaalsContact CE-CB 3.44Å; M105-F317 HydrophobicContact CE-CD2 4.16Å; M105-F317 HydrophobicContact CE-CG 4.06Å; M105-F317 HydrophobicContact CG-CB 4.1Å; M105-F317 HydrophobicContact CG-CD1 4.23Å; M105-F317 HydrophobicContact CG-CD2 3.64Å; M105-F317 HydrophobicContact CG-CE2 4.07Å; M105-F317 HydrophobicContact CG-CG 3.72Å; M105-F317 HydrophobicContact SD-CB 4.13Å; M105-F317 HydrophobicContact SD-CG 4.41Å; Y108-F317 AromaticContact CD1-CE2 3.37Å; Y108-F317 HydrophobicContact CD1-CE2 3.37Å; Y108-F317 AromaticContact CD1-CZ 3.55Å; Y108-F317 HydrophobicContact CD1-CZ 3.55Å; Y108-F317 AromaticContact CD2-CZ 3.96Å; Y108-F317 HydrophobicContact CD2-CZ 3.96Å; Y108-F317 HydrophobicContact CE1-CE2 4.11Å; Y108-F317 HydrophobicContact CE1-CZ 4.15Å; Y108-F317 AromaticContact CG-CE2 3.66Å; Y108-F317 HydrophobicContact CG-CE2 3.66Å; Y108-F317 AromaticContact CG-CZ 3.45Å; Y108-F317 HydrophobicContact CG-CZ 3.45Å; Y108-F317 VanDerWaalsContact CG-CZ 3.45Å; H315-F317 PolarHBondContact O-N 2.68Å; F317-A319 PolarHBondContact O-N 3.29Å; F317-I320 HydrophobicContact CD1-CD1 4.14Å; F317-I320 PolarHBondContact O-N 2.88Å; F317-E321 PolarHBondContact O-N 2.78Å; F317-E321 VanDerWaalsContact O-N 3.16Å; F317-L462 HydrophobicContact CD1-CD1 3.7Å; F317-L462 HydrophobicContact CD2-CD1 4.49Å; F317-L462 HydrophobicContact CE1-CD1 3.52Å; F317-L462 HydrophobicContact CE2-CD1 4.36Å; F317-L462 HydrophobicContact CG-CD1 4.19Å; F317-L462 HydrophobicContact CZ-CD1 3.88Å
318T94.8Very high95Very high6 Ų620 Ų204%0.03711%0.109CC..Hα-helixtrans-59.9-32.4178.9-66.70000112E70 H315 S316 T322 E455E70-T318 PolarHBondContact OE1-N 3.38Å; H315-T318 PolarHBondContact O-N 2.94Å; H315-T318 PolarHBondContact O-OG1 2.98Å; S316-T318 VanDerWaalsContact C-N 3.34Å; S316-T318 PolarHBondContact O-N 3.34Å; T318-T322 VanDerWaalsContact O-CB 3.22Å; T318-T322 WeakPolarHBondContact O-CB 3.36Å; T318-T322 PolarHBondContact O-N 2.83Å; T318-T322 PolarHBondContact O-OG1 2.76Å; T318-E455 HydrophobicContact CG2-CG 4.32Å
319A95.9Very high95.2Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-70.2-42.4-179.900000112.1A66 F67 E70 F317 T322 V323A66-A319 HydrophobicContact CB-CB 3.56Å; F67-A319 HydrophobicContact CB-CB 4.36Å; E70-A319 VanDerWaalsContact CD-CB 3.42Å; E70-A319 HydrophobicContact CG-CB 4.46Å; E70-A319 WeakPolarHBondContact OE1-CB 3.43Å; E70-A319 PolarHBondContact OE1-N 3.29Å; E70-A319 WeakPolarHBondContact OE2-CA 3.46Å; E70-A319 WeakPolarHBondContact OE2-CB 3.4Å; E70-A319 PolarHBondContact OE2-N 2.84Å; F317-A319 PolarHBondContact O-N 3.29Å; A319-T322 PolarHBondContact O-N 2.87Å; A319-V323 WeakPolarHBondContact O-CB 3.29Å; A319-V323 VanDerWaalsContact O-CG2 3.31Å; A319-V323 WeakPolarHBondContact O-CG2 3.17Å; A319-V323 PolarHBondContact O-N 3.38Å
320I96Very high95.4Very high1 Ų116.7 Ų16.71%0.0059%0.085CC..Hα-helixtrans-57.2-51.7172.4-69.7175.6000110.4F67 E70 L74 F317 T322 V323 Q324F67-I320 HydrophobicContact CD2-CB 4.37Å; F67-I320 HydrophobicContact CD2-CG1 3.85Å; F67-I320 HydrophobicContact CE2-CB 4.47Å; F67-I320 HydrophobicContact CE2-CG1 4Å; E70-I320 HydrophobicContact CB-CD1 3.81Å; E70-I320 HydrophobicContact CB-CG1 3.93Å; E70-I320 PolarHBondContact OE2-N 2.92Å; L74-I320 HydrophobicContact CD1-CD1 3.59Å; L74-I320 HydrophobicContact CG-CD1 4.4Å; F317-I320 HydrophobicContact CD1-CD1 4.14Å; F317-I320 PolarHBondContact O-N 2.88Å; I320-T322 VanDerWaalsContact C-N 3.35Å; I320-T322 PolarHBondContact O-N 3.06Å; I320-V323 PolarHBondContact O-N 3.01Å; I320-Q324 WeakPolarHBondContact O-CB 3.44Å; I320-Q324 PolarHBondContact O-N 3.19Å
321E95.8Very high95.7Very high56 Ų5616.2 Ų16.226%0.2628%0.082SC..Hα-helixtrans-59.8-45.2179.4-68.2176178.900111M105 R109 R314 F317 Q324 Q325M105-E321 HydrophobicContact CE-CG 3.99Å; M105-E321 WeakPolarHBondContact CE-OE1 3.49Å; R109-E321 IonicContact NH2-OE1 3.8Å; R109-E321 PolarHBondContact NH2-OE1 2.71Å; R109-E321 VanDerWaalsContact NH2-OE1 3.16Å; R314-E321 IonicContact NH1-OE2 2.75Å; F317-E321 PolarHBondContact O-N 2.78Å; F317-E321 VanDerWaalsContact O-N 3.16Å; E321-Q324 PolarHBondContact O-N 2.91Å; E321-Q325 VanDerWaalsContact O-CG 3.28Å; E321-Q325 WeakPolarHBondContact O-CG 3.2Å; E321-Q325 PolarHBondContact O-N 3.43Å
322T97Very high95.9Very high8 Ų815.5 Ų15.55%0.0498%0.078CC..Hα-helixtrans-64.5-45.5-179.7-60.40000112.4V59 T318 A319 I320 Q324 Q325 A326 L392V59-T322 HydrophobicContact CG1-CG2 3.65Å; T318-T322 VanDerWaalsContact O-CB 3.22Å; T318-T322 WeakPolarHBondContact O-CB 3.36Å; T318-T322 PolarHBondContact O-N 2.83Å; T318-T322 PolarHBondContact O-OG1 2.76Å; A319-T322 PolarHBondContact O-N 2.87Å; I320-T322 VanDerWaalsContact C-N 3.35Å; I320-T322 PolarHBondContact O-N 3.06Å; T322-Q324 VanDerWaalsContact C-N 3.32Å; T322-Q324 PolarHBondContact O-N 2.97Å; T322-Q325 PolarHBondContact O-N 2.62Å; T322-A326 PolarHBondContact O-N 3.3Å; T322-L392 HydrophobicContact CG2-CD2 4.36Å
323V97.7Very high96.2Very high1 Ų113.7 Ų13.71%0.0066%0.064CC..Hα-helixtrans-65.4-38.1177.6170.90000110.7C63 F67 A319 I320 A326 A327 M363C63-V323 HydrophobicContact CB-CG2 3.74Å; F67-V323 HydrophobicContact CB-CG2 4.15Å; F67-V323 HydrophobicContact CD2-CB 3.86Å; F67-V323 HydrophobicContact CD2-CG1 4.04Å; F67-V323 HydrophobicContact CD2-CG2 4.01Å; F67-V323 HydrophobicContact CE2-CB 4.35Å; F67-V323 HydrophobicContact CE2-CG1 4.2Å; F67-V323 HydrophobicContact CG-CG2 4.34Å; A319-V323 WeakPolarHBondContact O-CB 3.29Å; A319-V323 VanDerWaalsContact O-CG2 3.31Å; A319-V323 WeakPolarHBondContact O-CG2 3.17Å; A319-V323 PolarHBondContact O-N 3.38Å; I320-V323 PolarHBondContact O-N 3.01Å; V323-A326 PolarHBondContact O-N 2.96Å; V323-A327 WeakPolarHBondContact O-CB 2.94Å; V323-A327 PolarHBondContact O-N 3.12Å; V323-M363 HydrophobicContact CG1-CG 3.69Å; V323-M363 HydrophobicContact CG1-SD 4.37Å
324Q97.4Very high96.5Very high49 Ų4914.1 Ų14.123%0.2297%0.065CC..Hα-helixtrans-63.7-44.9175.7-172.9174.830.600111.8I320 E321 T322 A326 A327 Y328 M363I320-Q324 WeakPolarHBondContact O-CB 3.44Å; I320-Q324 PolarHBondContact O-N 3.19Å; E321-Q324 PolarHBondContact O-N 2.91Å; T322-Q324 VanDerWaalsContact C-N 3.32Å; T322-Q324 PolarHBondContact O-N 2.97Å; Q324-A326 VanDerWaalsContact C-N 3.31Å; Q324-A326 PolarHBondContact O-N 2.84Å; Q324-A327 WeakPolarHBondContact O-CB 3.08Å; Q324-A327 PolarHBondContact O-N 2.78Å; Q324-Y328 HydrophobicContact CG-CD2 4.43Å; Q324-Y328 HydrophobicContact CG-CE1 4.24Å; Q324-Y328 HydrophobicContact CG-CE2 3.74Å; Q324-Y328 PolarHBondContact NE2-OH 3.34Å; Q324-Y328 PolarHBondContact O-N 3.03Å; Q324-M363 HydrophobicContact CB-CE 4.38Å; Q324-M363 HydrophobicContact CB-SD 4.2Å; Q324-M363 HydrophobicContact CG-CE 4.29Å
325Q97.8Very high96.9Very high63 Ų6311.7 Ų11.729%0.2946%0.055SC..Hα-helixtrans-60.8-39.8174.1-69.5-62.1-44.300112E321 T322 A327 Y328 G329 Y388 L392E321-Q325 VanDerWaalsContact O-CG 3.28Å; E321-Q325 WeakPolarHBondContact O-CG 3.2Å; E321-Q325 PolarHBondContact O-N 3.43Å; T322-Q325 PolarHBondContact O-N 2.62Å; Q325-A327 VanDerWaalsContact C-N 3.34Å; Q325-Y328 PolarHBondContact O-N 2.96Å; Q325-G329 PolarHBondContact O-N 2.91Å; Q325-Y388 VanDerWaalsContact OE1-CE1 3.31Å; Q325-Y388 PolarHBondContact OE1-OH 3.4Å; Q325-L392 HydrophobicContact CB-CD1 4.16Å; Q325-L392 HydrophobicContact CB-CD2 3.99Å; Q325-L392 HydrophobicContact CB-CG 4.17Å
326A98.6Very high97.3Very high0 Ų010.9 Ų10.90%05%0.052CC..Hα-helixtrans-65.5-38.617600000111.6L56 V59 V60 T322 V323 Q324 G329 L330 L392L56-A326 HydrophobicContact CD2-CB 4.39Å; V59-A326 HydrophobicContact CB-CB 4.24Å; V59-A326 HydrophobicContact CG1-CB 3.95Å; V60-A326 HydrophobicContact CG2-CB 3.89Å; T322-A326 PolarHBondContact O-N 3.3Å; V323-A326 PolarHBondContact O-N 2.96Å; Q324-A326 VanDerWaalsContact C-N 3.31Å; Q324-A326 PolarHBondContact O-N 2.84Å; A326-G329 PolarHBondContact O-N 3.42Å; A326-L330 WeakPolarHBondContact O-CG 3.23Å; A326-L330 PolarHBondContact O-N 2.96Å; A326-L392 HydrophobicContact CB-CD1 3.79Å
327A98.4Very high97.6Very high0 Ų010.9 Ų10.90%05%0.052CC..Hα-helixtrans-64.5-41.5175.700000112.4V323 Q324 Q325 L330 Y331 M359 T362 M363V323-A327 WeakPolarHBondContact O-CB 2.94Å; V323-A327 PolarHBondContact O-N 3.12Å; Q324-A327 WeakPolarHBondContact O-CB 3.08Å; Q324-A327 PolarHBondContact O-N 2.78Å; Q325-A327 VanDerWaalsContact C-N 3.34Å; A327-L330 PolarHBondContact O-N 3.43Å; A327-Y331 PolarHBondContact O-N 2.89Å; A327-M359 HydrophobicContact CB-SD 3.54Å; A327-M359 VanDerWaalsContact CB-SD 3.54Å; A327-T362 HydrophobicContact CB-CG2 3.98Å; A327-T362 VanDerWaalsContact CB-OG1 3.28Å; A327-T362 WeakPolarHBondContact CB-OG1 3.42Å; A327-M363 HydrophobicContact CB-CE 3.98Å
328Y98.4Very high97.7Very high20 Ų2012.2 Ų12.28%0.0786%0.06CC..Hα-helixtrans-64.7-39.8172.9-63.6-21.3000112.3Q324 Q325 L330 Y331 D332 F355 M359 F374 F378 Y388Q324-Y328 HydrophobicContact CG-CD2 4.43Å; Q324-Y328 HydrophobicContact CG-CE1 4.24Å; Q324-Y328 HydrophobicContact CG-CE2 3.74Å; Q324-Y328 PolarHBondContact NE2-OH 3.34Å; Q324-Y328 PolarHBondContact O-N 3.03Å; Q325-Y328 PolarHBondContact O-N 2.96Å; Y328-L330 VanDerWaalsContact C-N 3.34Å; Y328-Y331 PolarHBondContact O-N 3.39Å; Y328-D332 PolarHBondContact O-N 3Å; Y328-F355 HydrophobicContact CD1-CE2 4.14Å; Y328-F355 HydrophobicContact CD1-CZ 4.46Å; Y328-F355 HydrophobicContact CE1-CE2 4.18Å; Y328-F355 HydrophobicContact CE1-CZ 4.05Å; Y328-M359 HydrophobicContact CD1-CE 4.44Å; Y328-M359 HydrophobicContact CD1-SD 4.14Å; Y328-M359 HydrophobicContact CE1-CE 3.75Å; Y328-M359 HydrophobicContact CE1-SD 4.04Å; Y328-F374 HydrophobicContact CD1-CE1 4.34Å; Y328-F374 HydrophobicContact CE1-CD1 4.26Å; Y328-F374 AromaticContact CE1-CE1 3.88Å; Y328-F374 HydrophobicContact CE1-CE1 3.88Å; Y328-F374 HydrophobicContact CE1-CZ 4.41Å; Y328-F374 HydrophobicContact CE2-CE1 4.47Å; Y328-F374 HydrophobicContact CE2-CZ 4.37Å; Y328-F374 AromaticContact CZ-CE1 3.95Å; Y328-F378 HydrophobicContact CG-CZ 4.49Å; Y328-Y388 VanDerWaalsContact CB-CE1 3.46Å; Y328-Y388 HydrophobicContact CD2-CE1 4.28Å; Y328-Y388 HydrophobicContact CG-CE1 4.4Å
329G98.2Very high97.9Very high1 Ų116.8 Ų16.81%0.018%0.083CC..Hα-helixtrans-60.7-41.7172.400000112.6Q325 A326 L333Q325-G329 PolarHBondContact O-N 2.91Å; A326-G329 PolarHBondContact O-N 3.42Å; G329-L333 VanDerWaalsContact O-CB 3.29Å; G329-L333 WeakPolarHBondContact O-CB 3.26Å; G329-L333 PolarHBondContact O-N 2.84Å
330L98.7Very high98Very high1 Ų117 Ų171%0.0059%0.085CC..Hα-helixtrans-64.2-45.3175.7-78.4166.1000111.1L56 W57 V60 A326 A327 Y328 L333 E334 I358 T362L56-L330 HydrophobicContact CB-CD1 4.39Å; L56-L330 HydrophobicContact CB-CD2 3.61Å; L56-L330 HydrophobicContact CB-CG 3.71Å; L56-L330 HydrophobicContact CD1-CD2 3.93Å; L56-L330 HydrophobicContact CD1-CG 4.03Å; L56-L330 HydrophobicContact CG-CD2 4.44Å; L56-L330 HydrophobicContact CG-CG 4.43Å; W57-L330 HydrophobicContact CD2-CD1 4.03Å; W57-L330 HydrophobicContact CD2-CD2 4.42Å; W57-L330 HydrophobicContact CE3-CD1 4.29Å; W57-L330 HydrophobicContact CG-CD2 4.29Å; W57-L330 HydrophobicContact CH2-CD1 4.19Å; W57-L330 HydrophobicContact CZ2-CD1 3.94Å; W57-L330 HydrophobicContact CZ3-CD1 4.37Å; V60-L330 HydrophobicContact CG2-CD1 4.3Å; A326-L330 WeakPolarHBondContact O-CG 3.23Å; A326-L330 PolarHBondContact O-N 2.96Å; A327-L330 PolarHBondContact O-N 3.43Å; Y328-L330 VanDerWaalsContact C-N 3.34Å; L330-L333 PolarHBondContact O-N 3.12Å; L330-E334 VanDerWaalsContact O-CB 3.31Å; L330-E334 WeakPolarHBondContact O-CB 3.22Å; L330-E334 VanDerWaalsContact O-CG 3.23Å; L330-E334 WeakPolarHBondContact O-CG 3.45Å; L330-E334 PolarHBondContact O-N 3.4Å; L330-I358 HydrophobicContact CB-CG2 3.72Å; L330-I358 HydrophobicContact CD1-CG2 4.46Å; L330-T362 HydrophobicContact CD1-CG2 3.73Å
331Y98.6Very high98.1Very high0 Ų017 Ų170%09%0.085CC..Hα-helixtrans-59-51.3176.8172.3-99.3000111.9A327 Y328 L333 E334 V335 L354 F355 I358 Q375 F378A327-Y331 PolarHBondContact O-N 2.89Å; Y328-Y331 PolarHBondContact O-N 3.39Å; Y331-L333 VanDerWaalsContact C-N 3.28Å; Y331-L333 PolarHBondContact O-N 3.29Å; Y331-E334 PolarHBondContact O-N 3.16Å; Y331-V335 HydrophobicContact CE1-CG1 4.42Å; Y331-V335 HydrophobicContact CE2-CB 4.28Å; Y331-V335 HydrophobicContact CE2-CG2 4.33Å; Y331-V335 VanDerWaalsContact O-CB 3.26Å; Y331-V335 WeakPolarHBondContact O-CB 3.24Å; Y331-V335 VanDerWaalsContact O-CG1 3.28Å; Y331-V335 WeakPolarHBondContact O-CG1 3.31Å; Y331-V335 PolarHBondContact O-N 2.79Å; Y331-L354 HydrophobicContact CD2-CD2 4.31Å; Y331-L354 HydrophobicContact CD2-CG 4.24Å; Y331-L354 HydrophobicContact CE2-CB 4.47Å; Y331-L354 HydrophobicContact CE2-CD2 4.2Å; Y331-L354 HydrophobicContact CE2-CG 4.34Å; Y331-F355 HydrophobicContact CD1-CD2 4.1Å; Y331-F355 HydrophobicContact CD2-CB 3.79Å; Y331-F355 AromaticContact CD2-CD2 3.72Å; Y331-F355 HydrophobicContact CD2-CD2 3.72Å; Y331-F355 HydrophobicContact CD2-CG 4.26Å; Y331-F355 HydrophobicContact CE2-CB 3.72Å; Y331-F355 HydrophobicContact CE2-CD2 4.14Å; Y331-F355 HydrophobicContact CE2-CG 4.43Å; Y331-F355 AromaticContact CG-CD2 3.69Å; Y331-F355 HydrophobicContact CG-CD2 3.69Å; Y331-F355 HydrophobicContact CG-CE2 4.47Å; Y331-I358 HydrophobicContact CD2-CD1 4.44Å; Y331-Q375 HydrophobicContact CD1-CB 4.49Å; Y331-Q375 HydrophobicContact CE1-CB 3.64Å; Y331-Q375 HydrophobicContact CE1-CG 4.45Å; Y331-Q375 HydrophobicContact CE2-CB 4.27Å; Y331-Q375 HydrophobicContact CE2-CG 4.43Å; Y331-Q375 WeakPolarHBondContact OH-CB 3.17Å; Y331-Q375 VanDerWaalsContact OH-CG 3.28Å; Y331-Q375 WeakPolarHBondContact OH-CG 3.41Å; Y331-F378 HydrophobicContact CD1-CD1 4.11Å; Y331-F378 HydrophobicContact CD1-CE1 4.37Å; Y331-F378 HydrophobicContact CE1-CD1 4.34Å
332D98.6Very high98.2Very high1 Ų116 Ų161%0.0058%0.084CC..Hα-helixtrans-61.6-36.5178.6177.149.8000112.2Y328 H336 F378 G385 A386 K387 Y388Y328-D332 PolarHBondContact O-N 3Å; D332-H336 PolarHBondContact O-ND1 3.34Å; D332-H336 IonicContact OD1-CE1 3.68Å; D332-H336 PolarHBondContact OD1-CE1 2.85Å; D332-H336 IonicContact OD1-ND1 3.17Å; D332-H336 PolarHBondContact OD1-ND1 2.85Å; D332-F378 HydrophobicContact CB-CE1 4.39Å; D332-G385 WeakPolarHBondContact OD1-CA 3.39Å; D332-A386 PolarHBondContact OD1-N 3.34Å; D332-A386 VanDerWaalsContact OD2-C 3.28Å; D332-A386 WeakPolarHBondContact OD2-CA 3.35Å; D332-A386 PolarHBondContact OD2-N 3.32Å; D332-K387 PolarHBondContact OD2-N 3.12Å; D332-Y388 WeakPolarHBondContact OD2-CB 3.29Å; D332-Y388 PolarHBondContact OD2-N 3.22Å
333L98.5Very high98.3Very high1 Ų118.3 Ų18.31%0.0059%0.094CC..Hα-helixtrans-68.5-50176.5-171.972.8000111.9A37 Y49 V52 R53 L56 G329 L330 Y331 H336 G337A37-L333 HydrophobicContact CB-CD1 4.07Å; Y49-L333 HydrophobicContact CD2-CD1 3.85Å; Y49-L333 HydrophobicContact CD2-CD2 3.97Å; Y49-L333 HydrophobicContact CD2-CG 3.73Å; Y49-L333 HydrophobicContact CE2-CD1 4.4Å; Y49-L333 HydrophobicContact CE2-CD2 3.97Å; Y49-L333 HydrophobicContact CE2-CG 3.78Å; V52-L333 HydrophobicContact CB-CD1 4.34Å; V52-L333 HydrophobicContact CB-CD2 4.23Å; V52-L333 HydrophobicContact CG1-CD1 3.9Å; V52-L333 HydrophobicContact CG1-CD2 3.85Å; V52-L333 HydrophobicContact CG1-CG 4.45Å; R53-L333 HydrophobicContact CB-CD2 3.76Å; R53-L333 HydrophobicContact CG-CD2 4.43Å; L56-L333 HydrophobicContact CD1-CB 4.41Å; L56-L333 HydrophobicContact CD1-CD2 4.11Å; G329-L333 VanDerWaalsContact O-CB 3.29Å; G329-L333 WeakPolarHBondContact O-CB 3.26Å; G329-L333 PolarHBondContact O-N 2.84Å; L330-L333 PolarHBondContact O-N 3.12Å; Y331-L333 VanDerWaalsContact C-N 3.28Å; Y331-L333 PolarHBondContact O-N 3.29Å; L333-H336 CarbonylContact O-C 3.49Å; L333-H336 PolarHBondContact O-N 3.02Å; L333-G337 PolarHBondContact O-N 3.39Å
334E98.6Very high98.3Very high20 Ų2018.4 Ų18.49%0.0939%0.094CC..Hα-helixtrans-74.8-34.7-172.3-66.8-65.7179.200112.6Y49 R53 L330 Y331 H336 G337 A340 L354 I358Y49-E334 VanDerWaalsContact OH-CD 3.31Å; Y49-E334 PolarHBondContact OH-OE1 3.47Å; Y49-E334 PolarHBondContact OH-OE2 3.33Å; R53-E334 VanDerWaalsContact CD-OE1 3.25Å; R53-E334 WeakPolarHBondContact CD-OE1 3.28Å; R53-E334 IonicContact CZ-OE1 3.6Å; R53-E334 IonicContact NE-OE1 2.75Å; R53-E334 PolarHBondContact NE-OE1 2.9Å; R53-E334 IonicContact NH2-OE1 3.44Å; L330-E334 VanDerWaalsContact O-CB 3.31Å; L330-E334 WeakPolarHBondContact O-CB 3.22Å; L330-E334 VanDerWaalsContact O-CG 3.23Å; L330-E334 WeakPolarHBondContact O-CG 3.45Å; L330-E334 PolarHBondContact O-N 3.4Å; Y331-E334 PolarHBondContact O-N 3.16Å; E334-H336 PolarHBondContact O-N 3.16Å; E334-G337 WeakPolarHBondContact O-CA 3.45Å; E334-G337 PolarHBondContact O-N 3.44Å; E334-A340 WeakPolarHBondContact O-CB 3.42Å; E334-L354 HydrophobicContact CB-CD1 4.44Å; E334-L354 HydrophobicContact CB-CD2 4.45Å; E334-I358 HydrophobicContact CB-CD1 3.95Å; E334-I358 HydrophobicContact CG-CD1 4.11Å
335V98.4Very high98.2Very high0 Ų018.3 Ų18.30%010%0.102CC..Hα-helixtrans-62-26.1175.879.70000111.6I21 Y331 A341 I344 L354 T381I21-V335 HydrophobicContact CD1-CG2 3.31Å; I21-V335 HydrophobicContact CG1-CG2 3.95Å; I21-V335 VanDerWaalsContact CG2-O 3.29Å; I21-V335 WeakPolarHBondContact CG2-O 3.38Å; Y331-V335 HydrophobicContact CE1-CG1 4.42Å; Y331-V335 HydrophobicContact CE2-CB 4.28Å; Y331-V335 HydrophobicContact CE2-CG2 4.33Å; Y331-V335 VanDerWaalsContact O-CB 3.26Å; Y331-V335 WeakPolarHBondContact O-CB 3.24Å; Y331-V335 VanDerWaalsContact O-CG1 3.28Å; Y331-V335 WeakPolarHBondContact O-CG1 3.31Å; Y331-V335 PolarHBondContact O-N 2.79Å; V335-A341 WeakPolarHBondContact O-CB 3.37Å; V335-I344 HydrophobicContact CG2-CD1 3.7Å; V335-L354 HydrophobicContact CB-CD2 3.72Å; V335-L354 HydrophobicContact CG2-CD2 3.96Å; V335-T381 HydrophobicContact CG1-CG2 4.19Å
336H98.5Very high98.1Very high1 Ų118.4 Ų18.41%0.00511%0.109CC..THydrogen-bonded Turntrans-100.43.4172.7-63.6106.8000113.8R24 S35 F36 A37 D332 L333 E334 A386R24-H336 WeakPolarHBondContact CD-NE2 3.26Å; R24-H336 PolarHBondContact NH1-NE2 3.41Å; S35-H336 WeakPolarHBondContact CB-O 3.48Å; S35-H336 PolarHBondContact OG-O 3.13Å; F36-H336 HydrophobicContact CB-CB 4.26Å; F36-H336 HydrophobicContact CD1-CB 4Å; F36-H336 AromaticContact CD1-CD2 3.58Å; F36-H336 AromaticContact CD1-CG 3.86Å; F36-H336 PolarHBondContact N-O 2.8Å; A37-H336 HydrophobicContact CB-CB 4.22Å; A37-H336 WeakPolarHBondContact CB-O 3.13Å; A37-H336 PolarHBondContact N-O 2.86Å; D332-H336 PolarHBondContact O-ND1 3.34Å; D332-H336 IonicContact OD1-CE1 3.68Å; D332-H336 PolarHBondContact OD1-CE1 2.85Å; D332-H336 IonicContact OD1-ND1 3.17Å; D332-H336 PolarHBondContact OD1-ND1 2.85Å; L333-H336 CarbonylContact O-C 3.49Å; L333-H336 PolarHBondContact O-N 3.02Å; E334-H336 PolarHBondContact O-N 3.16Å; H336-A386 HydrophobicContact CB-CB 3.79Å; H336-A386 PolarHBondContact ND1-N 3.47Å
337G98.2Very high98Very high0 Ų021.3 Ų21.30%014%0.139CC..SBendtrans-78.1171.2-174.500000113.6L333 E334 I339 A341L333-G337 PolarHBondContact O-N 3.39Å; E334-G337 WeakPolarHBondContact O-CA 3.45Å; E334-G337 PolarHBondContact O-N 3.44Å; G337-I339 PolarHBondContact O-N 3.33Å; G337-A341 VanDerWaalsContact O-CB 3.24Å; G337-A341 WeakPolarHBondContact O-CB 3.48Å; G337-A341 PolarHBondContact O-N 3.18Å
338P97.8Very high97.9Very high28 Ų2829.7 Ų29.718%0.18217%0.171CC..THydrogen-bonded Turntrans-68.6-18.1-177.130.1-36000113.6E34 Y49 P342E34-P338 HydrophobicContact CG-CB 4.03Å; E34-P338 WeakPolarHBondContact OE1-CB 3.33Å; Y49-P338 HydrophobicContact CE1-CG 4.03Å; P338-P342 WeakPolarHBondContact O-CD 3.28Å; P338-P342 WeakPolarHBondContact O-CG 3.28Å
339I98.1Very high97.9Very high102 Ų10230.7 Ų30.752%0.52318%0.177SC..THydrogen-bonded Turntrans-96-56.8-177.6-57.9176.8000111.5G337 P342 Q343G337-I339 PolarHBondContact O-N 3.33Å; I339-P342 WeakPolarHBondContact O-CD 3.28Å; I339-P342 WeakPolarHBondContact O-CG 3.31Å; I339-Q343 WeakPolarHBondContact O-CG 3.24Å
340A98.3Very high97.8Very high3 Ų332.9 Ų32.93%0.02519%0.19CC..Hα-helixtrans-74.9-42.7-170.500000112.4E334 Q343 I344 M349 L354E334-A340 WeakPolarHBondContact O-CB 3.42Å; A340-Q343 WeakPolarHBondContact O-CB 3.43Å; A340-Q343 PolarHBondContact O-N 3.2Å; A340-I344 HydrophobicContact CB-CD1 4.4Å; A340-I344 WeakPolarHBondContact O-CG1 3.32Å; A340-I344 PolarHBondContact O-N 2.63Å; A340-M349 HydrophobicContact CB-SD 4.04Å; A340-L354 HydrophobicContact CB-CD1 4.18Å; A340-L354 HydrophobicContact CB-CD2 3.64Å
341A98.3Very high97.7Very high2 Ų232.8 Ų32.82%0.01719%0.19CC..Hα-helixtrans-54.7-48-177.800000114.2I21 H25 V335 G337 Q343 A345I21-A341 HydrophobicContact CG2-CB 4.01Å; H25-A341 HydrophobicContact CB-CB 4.11Å; V335-A341 WeakPolarHBondContact O-CB 3.37Å; G337-A341 VanDerWaalsContact O-CB 3.24Å; G337-A341 WeakPolarHBondContact O-CB 3.48Å; G337-A341 PolarHBondContact O-N 3.18Å; A341-Q343 VanDerWaalsContact C-N 3.35Å; A341-Q343 PolarHBondContact O-N 2.71Å; A341-A345 WeakPolarHBondContact O-CB 3.45Å; A341-A345 PolarHBondContact O-N 2.92Å
342P98.1Very high97.6Very high36 Ų3633.6 Ų33.623%0.23420%0.195CC..Hα-helixtrans-69.8-27.8175.625.6-34000113.7P338 I339 S346P338-P342 WeakPolarHBondContact O-CD 3.28Å; P338-P342 WeakPolarHBondContact O-CG 3.28Å; I339-P342 WeakPolarHBondContact O-CD 3.28Å; I339-P342 WeakPolarHBondContact O-CG 3.31Å; P342-S346 WeakPolarHBondContact O-CB 3.27Å; P342-S346 PolarHBondContact O-N 3.09Å; P342-S346 VanDerWaalsContact O-N 3.15Å; P342-S346 PolarHBondContact O-OG 3.26Å; P342-S346 VanDerWaalsContact O-OG 3.08Å
343Q98.4Very high97.5Very high55 Ų5538.7 Ų38.726%0.25722%0.218SC..Hα-helixtrans-69.7-45.4175.4-68.5-17925.200111I339 A340 A341 S346 G347 R348 M349I339-Q343 WeakPolarHBondContact O-CG 3.24Å; A340-Q343 WeakPolarHBondContact O-CB 3.43Å; A340-Q343 PolarHBondContact O-N 3.2Å; A341-Q343 VanDerWaalsContact C-N 3.35Å; A341-Q343 PolarHBondContact O-N 2.71Å; Q343-S346 CarbonylContact O-C 3.57Å; Q343-S346 PolarHBondContact O-N 3.15Å; Q343-S346 VanDerWaalsContact O-N 3.15Å; Q343-S346 PolarHBondContact O-OG 3.21Å; Q343-G347 PolarHBondContact O-N 3.07Å; Q343-G347 VanDerWaalsContact O-N 3.14Å; Q343-R348 HydrophobicContact CB-CB 4.4Å; Q343-R348 PolarHBondContact O-N 3.28Å; Q343-M349 HydrophobicContact CB-CB 3.92Å
344I97.9Very high97.4Very high3 Ų339.2 Ų39.22%0.01522%0.221CC..Hα-helixtrans-59.5-46.6173.5-66.8168.7000110.4Q18 I21 V335 A340 S346 G347 M349 L354Q18-I344 HydrophobicContact CB-CG2 4.24Å; Q18-I344 HydrophobicContact CG-CG2 3.93Å; I21-I344 HydrophobicContact CB-CG2 4.44Å; I21-I344 HydrophobicContact CD1-CD1 4.25Å; I21-I344 HydrophobicContact CD1-CG2 4.31Å; I21-I344 HydrophobicContact CG2-CB 4.41Å; I21-I344 HydrophobicContact CG2-CD1 4.38Å; I21-I344 HydrophobicContact CG2-CG2 4.21Å; V335-I344 HydrophobicContact CG2-CD1 3.7Å; A340-I344 HydrophobicContact CB-CD1 4.4Å; A340-I344 WeakPolarHBondContact O-CG1 3.32Å; A340-I344 PolarHBondContact O-N 2.63Å; I344-S346 PolarHBondContact O-N 3.21Å; I344-S346 VanDerWaalsContact O-N 3.17Å; I344-G347 PolarHBondContact O-N 3.37Å; I344-M349 WeakPolarHBondContact CA-O 3.31Å; I344-M349 HydrophobicContact CG1-CB 4.36Å; I344-M349 HydrophobicContact CG1-CG 4.3Å; I344-M349 HydrophobicContact CG1-SD 4.45Å; I344-L354 HydrophobicContact CD1-CD2 4.44Å
345A95.9Very high97.4Very high48 Ų4838.4 Ų38.440%0.39722%0.217SC..Hα-helixtrans-61.5-26.5177.800000113.8S22 A341S22-A345 VanDerWaalsContact OG-CA 3.3Å; S22-A345 WeakPolarHBondContact OG-CA 3.43Å; S22-A345 WeakPolarHBondContact OG-CB 3.2Å; A341-A345 WeakPolarHBondContact O-CB 3.45Å; A341-A345 PolarHBondContact O-N 2.92Å
346S96.4Very high97.3Very high64 Ų6440 Ų4045%0.44823%0.225SC..THydrogen-bonded Turntrans-93.10.1176.165.70000114.4P342 Q343 I344 R348P342-S346 WeakPolarHBondContact O-CB 3.27Å; P342-S346 PolarHBondContact O-N 3.09Å; P342-S346 VanDerWaalsContact O-N 3.15Å; P342-S346 PolarHBondContact O-OG 3.26Å; P342-S346 VanDerWaalsContact O-OG 3.08Å; Q343-S346 CarbonylContact O-C 3.57Å; Q343-S346 PolarHBondContact O-N 3.15Å; Q343-S346 VanDerWaalsContact O-N 3.15Å; Q343-S346 PolarHBondContact O-OG 3.21Å; I344-S346 PolarHBondContact O-N 3.21Å; I344-S346 VanDerWaalsContact O-N 3.17Å; S346-R348 PolarHBondContact O-N 3.01Å; S346-R348 WeakPolarHBondContact OG-CG 3.21Å; S346-R348 PolarHBondContact OG-NE 3.09Å
347G95.4Very high97.2Very high61 Ų6143.3 Ų43.363%0.62924%0.242SC*.THydrogen-bonded Turntrans68.516.7-175.100000114.7Q343 I344Q343-G347 PolarHBondContact O-N 3.07Å; Q343-G347 VanDerWaalsContact O-N 3.14Å; I344-G347 PolarHBondContact O-N 3.37Å
348R97.4Very high97.2Very high177 Ų17743.6 Ų43.667%0.66824%0.244SC*.SBendtrans-83.5-12.2178.4-74.5-174.9-70.3162-0.1113.8Q343 S346Q343-R348 HydrophobicContact CB-CB 4.4Å; Q343-R348 PolarHBondContact O-N 3.28Å; S346-R348 PolarHBondContact O-N 3.01Å; S346-R348 WeakPolarHBondContact OG-CG 3.21Å; S346-R348 PolarHBondContact OG-NE 3.09Å
349M97.1Very high97.2Very high40 Ų4042.3 Ų42.320%0.19724%0.236CC..SBendtrans-149.8139.1-178.9175.1-176.5-77.900108.1A340 Q343 I344 E353 L354A340-M349 HydrophobicContact CB-SD 4.04Å; Q343-M349 HydrophobicContact CB-CB 3.92Å; I344-M349 WeakPolarHBondContact CA-O 3.31Å; I344-M349 HydrophobicContact CG1-CB 4.36Å; I344-M349 HydrophobicContact CG1-CG 4.3Å; I344-M349 HydrophobicContact CG1-SD 4.45Å; M349-E353 WeakPolarHBondContact CA-OE2 3.34Å; M349-E353 HydrophobicContact CG-CB 4.48Å; M349-L354 HydrophobicContact SD-CB 4.02Å; M349-L354 HydrophobicContact SD-CD1 4.34Å
350T96.1Very high97Very high47 Ų4741.2 Ų41.229%0.28823%0.231SC..  trans-92.1161.8172.467.10000111.2T352 E353 L354T350-T352 PolarHBondContact O-N 3.03Å; T350-E353 PolarHBondContact N-OE2 2.94Å; T350-E353 PolarHBondContact O-N 3.38Å; T350-E353 WeakPolarHBondContact OG1-CB 3.38Å; T350-E353 WeakPolarHBondContact OG1-CG 3.46Å; T350-E353 PolarHBondContact OG1-N 3.34Å; T350-E353 VanDerWaalsContact OG1-N 3.11Å; T350-E353 PolarHBondContact OG1-OE2 3.42Å; T350-L354 PolarHBondContact O-N 2.84Å
351T97Very high97Very high0 Ų046.2 Ų46.20%025%0.252CS..Hα-helixtrans-67.9-30.117777.80000111.9E14 L17 Q18 I21 F355 Q375E14-T351 WeakPolarHBondContact OE1-CG2 3.3Å; E14-T351 PolarHBondContact OE1-N 3.38Å; E14-T351 PolarHBondContact OE1-OG1 3.06Å; E14-T351 PolarHBondContact OE2-OG1 3.13Å; L17-T351 HydrophobicContact CB-CG2 4.37Å; L17-T351 HydrophobicContact CD2-CG2 3.75Å; L17-T351 HydrophobicContact CG-CG2 3.8Å; Q18-T351 HydrophobicContact CG-CG2 4.18Å; I21-T351 HydrophobicContact CD1-CG2 3.75Å; T351-F355 WeakPolarHBondContact O-CB 2.96Å; T351-F355 PolarHBondContact O-N 2.94Å; T351-F355 VanDerWaalsContact O-N 3.11Å; T351-Q375 WeakPolarHBondContact OG1-CG 3.46Å; T351-Q375 PolarHBondContact OG1-NE2 3.18Å; T351-Q375 VanDerWaalsContact OG1-NE2 3.15Å
352T96.3Very high96.9Very high16 Ų1646.1 Ų46.110%0.09825%0.251CS..Hα-helixtrans-68.2-44.5177.1-50.30000111.8T350 L354 F355 H356 Q375T350-T352 PolarHBondContact O-N 3.03Å; T352-L354 VanDerWaalsContact C-N 3.31Å; T352-L354 PolarHBondContact O-N 3.31Å; T352-F355 PolarHBondContact O-N 3.32Å; T352-F355 VanDerWaalsContact O-N 3.16Å; T352-H356 PolarHBondContact O-N 3.37Å; T352-Q375 VanDerWaalsContact CA-NE2 3.25Å; T352-Q375 PolarHBondContact OG1-NE2 3.44Å
353E96.4Very high96.8Very high108 Ų10844.5 Ų44.551%0.50524%0.241SC..Hα-helixtrans-57.8-45.2178.3-77.7165.2158.500111.3M349 T350 D357M349-E353 WeakPolarHBondContact CA-OE2 3.34Å; M349-E353 HydrophobicContact CG-CB 4.48Å; T350-E353 PolarHBondContact N-OE2 2.94Å; T350-E353 PolarHBondContact O-N 3.38Å; T350-E353 WeakPolarHBondContact OG1-CB 3.38Å; T350-E353 WeakPolarHBondContact OG1-CG 3.46Å; T350-E353 PolarHBondContact OG1-N 3.34Å; T350-E353 VanDerWaalsContact OG1-N 3.11Å; T350-E353 PolarHBondContact OG1-OE2 3.42Å; E353-D357 WeakPolarHBondContact O-CB 3.21Å; E353-D357 PolarHBondContact O-N 3.02Å
354L97.9Very high96.4Very high13 Ų1345.1 Ų45.17%0.06825%0.249CC..Hα-helixtrans-63.6-44.2176-179.764.7000112.1Y331 E334 V335 A340 I344 M349 T350 T352 D357 I358Y331-L354 HydrophobicContact CD2-CD2 4.31Å; Y331-L354 HydrophobicContact CD2-CG 4.24Å; Y331-L354 HydrophobicContact CE2-CB 4.47Å; Y331-L354 HydrophobicContact CE2-CD2 4.2Å; Y331-L354 HydrophobicContact CE2-CG 4.34Å; E334-L354 HydrophobicContact CB-CD1 4.44Å; E334-L354 HydrophobicContact CB-CD2 4.45Å; V335-L354 HydrophobicContact CB-CD2 3.72Å; V335-L354 HydrophobicContact CG2-CD2 3.96Å; A340-L354 HydrophobicContact CB-CD1 4.18Å; A340-L354 HydrophobicContact CB-CD2 3.64Å; I344-L354 HydrophobicContact CD1-CD2 4.44Å; M349-L354 HydrophobicContact SD-CB 4.02Å; M349-L354 HydrophobicContact SD-CD1 4.34Å; T350-L354 PolarHBondContact O-N 2.84Å; T352-L354 VanDerWaalsContact C-N 3.31Å; T352-L354 PolarHBondContact O-N 3.31Å; L354-D357 PolarHBondContact O-N 2.86Å; L354-I358 HydrophobicContact CD1-CD1 3.87Å; L354-I358 HydrophobicContact CD1-CG1 4.31Å; L354-I358 HydrophobicContact CG-CD1 3.99Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.44Å
355F97.4Very high95.9Very high2 Ų250 Ų501%0.00927%0.272CS..Hα-helixtrans-60.5-48.8179-175.4-101.7000110.9Y328 Y331 T351 T352 D357 I358 M359 F374 Q375Y328-F355 HydrophobicContact CD1-CE2 4.14Å; Y328-F355 HydrophobicContact CD1-CZ 4.46Å; Y328-F355 HydrophobicContact CE1-CE2 4.18Å; Y328-F355 HydrophobicContact CE1-CZ 4.05Å; Y331-F355 HydrophobicContact CD1-CD2 4.1Å; Y331-F355 HydrophobicContact CD2-CB 3.79Å; Y331-F355 AromaticContact CD2-CD2 3.72Å; Y331-F355 HydrophobicContact CD2-CD2 3.72Å; Y331-F355 HydrophobicContact CD2-CG 4.26Å; Y331-F355 HydrophobicContact CE2-CB 3.72Å; Y331-F355 HydrophobicContact CE2-CD2 4.14Å; Y331-F355 HydrophobicContact CE2-CG 4.43Å; Y331-F355 AromaticContact CG-CD2 3.69Å; Y331-F355 HydrophobicContact CG-CD2 3.69Å; Y331-F355 HydrophobicContact CG-CE2 4.47Å; T351-F355 WeakPolarHBondContact O-CB 2.96Å; T351-F355 PolarHBondContact O-N 2.94Å; T351-F355 VanDerWaalsContact O-N 3.11Å; T352-F355 PolarHBondContact O-N 3.32Å; T352-F355 VanDerWaalsContact O-N 3.16Å; F355-D357 PolarHBondContact O-N 3.48Å; F355-I358 PolarHBondContact O-N 2.94Å; F355-M359 HydrophobicContact CD1-CG 4.1Å; F355-M359 HydrophobicContact CD2-CG 4.23Å; F355-M359 HydrophobicContact CE1-CE 4.35Å; F355-M359 HydrophobicContact CE1-CG 3.81Å; F355-M359 HydrophobicContact CE2-CG 3.98Å; F355-M359 HydrophobicContact CE2-SD 4.15Å; F355-M359 HydrophobicContact CG-CG 4.28Å; F355-M359 HydrophobicContact CZ-CE 3.89Å; F355-M359 HydrophobicContact CZ-CG 3.74Å; F355-M359 HydrophobicContact CZ-SD 3.96Å; F355-M359 VanDerWaalsContact O-CB 3.3Å; F355-M359 WeakPolarHBondContact O-CB 3.47Å; F355-M359 WeakPolarHBondContact O-CG 3.46Å; F355-M359 PolarHBondContact O-N 3.14Å; F355-F374 HydrophobicContact CE1-CB 3.81Å; F355-F374 HydrophobicContact CE1-CD1 4.41Å; F355-F374 HydrophobicContact CE1-CG 4.48Å; F355-F374 AromaticContact CE2-CD1 3.82Å; F355-F374 HydrophobicContact CE2-CD1 3.82Å; F355-F374 HydrophobicContact CZ-CB 3.8Å; F355-F374 AromaticContact CZ-CD1 3.54Å; F355-F374 HydrophobicContact CZ-CD1 3.54Å; F355-F374 HydrophobicContact CZ-CE1 4.49Å; F355-F374 AromaticContact CZ-CG 3.98Å; F355-F374 HydrophobicContact CZ-CG 3.98Å; F355-Q375 HydrophobicContact CB-CB 4.44Å; F355-Q375 HydrophobicContact CB-CG 4.4Å; F355-Q375 HydrophobicContact CD2-CB 4.06Å; F355-Q375 HydrophobicContact CG-CB 4.25Å
356H96.2Very high95.7Very high33 Ų3348 Ų4815%0.15325%0.254CS..Hα-helixtrans-63.2-42.2177.5-70.8-177.6000112.3T352 I358 M359 N360 P370 S372T352-H356 PolarHBondContact O-N 3.37Å; H356-I358 PolarHBondContact O-N 2.88Å; H356-M359 PolarHBondContact O-N 2.91Å; H356-N360 VanDerWaalsContact O-CB 3.23Å; H356-N360 WeakPolarHBondContact O-CB 3.49Å; H356-N360 PolarHBondContact O-N 3.49Å; H356-N360 PolarHBondContact O-ND2 3.24Å; H356-P370 PolarHBondContact CE1-O 2.96Å; H356-S372 PolarHBondContact NE2-O 3.49Å
357D97.3Very high95.5Very high71 Ų7150 Ų5038%0.3826%0.257SS..Hα-helixtrans-57.8-48.6177.4176.566.3000112E353 L354 F355 K361E353-D357 WeakPolarHBondContact O-CB 3.21Å; E353-D357 PolarHBondContact O-N 3.02Å; L354-D357 PolarHBondContact O-N 2.86Å; F355-D357 PolarHBondContact O-N 3.48Å; D357-K361 VanDerWaalsContact O-CG 3.3Å; D357-K361 WeakPolarHBondContact O-CG 3.41Å; D357-K361 PolarHBondContact O-N 3.03Å; D357-K361 VanDerWaalsContact O-N 3.15Å; D357-K361 WeakPolarHBondContact OD1-CE 3.46Å; D357-K361 IonicContact OD1-NZ 3.72Å; D357-K361 PolarHBondContact OD1-NZ 3.17Å; D357-K361 IonicContact OD2-NZ 3.75Å; D357-K361 PolarHBondContact OD2-NZ 2.9Å
358I98.1Very high95.2Very high6 Ų648.7 Ų48.73%0.03123%0.233CC..Hα-helixtrans-63.7-49.8178.5-70.4171.3000110.4L330 Y331 E334 L354 F355 H356 N360 K361 T362L330-I358 HydrophobicContact CB-CG2 3.72Å; L330-I358 HydrophobicContact CD1-CG2 4.46Å; Y331-I358 HydrophobicContact CD2-CD1 4.44Å; E334-I358 HydrophobicContact CB-CD1 3.95Å; E334-I358 HydrophobicContact CG-CD1 4.11Å; L354-I358 HydrophobicContact CD1-CD1 3.87Å; L354-I358 HydrophobicContact CD1-CG1 4.31Å; L354-I358 HydrophobicContact CG-CD1 3.99Å; L354-I358 WeakPolarHBondContact O-CG1 3.41Å; L354-I358 PolarHBondContact O-N 3.44Å; F355-I358 PolarHBondContact O-N 2.94Å; H356-I358 PolarHBondContact O-N 2.88Å; I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 2.85Å; I358-K361 PolarHBondContact O-N 3.37Å; I358-K361 VanDerWaalsContact O-N 3.14Å; I358-T362 HydrophobicContact CG2-CG2 4.36Å; I358-T362 WeakPolarHBondContact O-CG2 3.44Å; I358-T362 PolarHBondContact O-N 2.67Å; I358-T362 PolarHBondContact O-OG1 2.72Å
359M96.7Very high94.8Very high2 Ų241.6 Ų41.61%0.0121%0.21CC..Hα-helixtrans-66-32.4-175.5-65.2-71.8-7600112.6A327 Y328 F355 H356 T362 M363 R368A327-M359 HydrophobicContact CB-SD 3.54Å; A327-M359 VanDerWaalsContact CB-SD 3.54Å; Y328-M359 HydrophobicContact CD1-CE 4.44Å; Y328-M359 HydrophobicContact CD1-SD 4.14Å; Y328-M359 HydrophobicContact CE1-CE 3.75Å; Y328-M359 HydrophobicContact CE1-SD 4.04Å; F355-M359 HydrophobicContact CD1-CG 4.1Å; F355-M359 HydrophobicContact CD2-CG 4.23Å; F355-M359 HydrophobicContact CE1-CE 4.35Å; F355-M359 HydrophobicContact CE1-CG 3.81Å; F355-M359 HydrophobicContact CE2-CG 3.98Å; F355-M359 HydrophobicContact CE2-SD 4.15Å; F355-M359 HydrophobicContact CG-CG 4.28Å; F355-M359 HydrophobicContact CZ-CE 3.89Å; F355-M359 HydrophobicContact CZ-CG 3.74Å; F355-M359 HydrophobicContact CZ-SD 3.96Å; F355-M359 VanDerWaalsContact O-CB 3.3Å; F355-M359 WeakPolarHBondContact O-CB 3.47Å; F355-M359 WeakPolarHBondContact O-CG 3.46Å; F355-M359 PolarHBondContact O-N 3.14Å; H356-M359 PolarHBondContact O-N 2.91Å; M359-T362 PolarHBondContact O-OG1 2.93Å; M359-M363 HydrophobicContact CE-CE 3.26Å; M359-M363 CarbonylContact O-C 3.53Å; M359-M363 PolarHBondContact O-N 3.07Å; M359-M363 HydrophobicContact SD-CE 3.66Å; M359-R368 PolarHBondContact O-NH1 3.25Å; M359-R368 VanDerWaalsContact O-NH1 3.16Å; M359-R368 PolarHBondContact O-NH2 3.41Å
360N95.5Very high94.3Very high79 Ų7944.8 Ų44.842%0.42223%0.234SC..Hα-helixtrans-72.2-33.9174.5-70.4-18000112.1H356 I358 P364 R368H356-N360 VanDerWaalsContact O-CB 3.23Å; H356-N360 WeakPolarHBondContact O-CB 3.49Å; H356-N360 PolarHBondContact O-N 3.49Å; H356-N360 PolarHBondContact O-ND2 3.24Å; I358-N360 VanDerWaalsContact C-N 3.3Å; I358-N360 PolarHBondContact O-N 2.85Å; N360-P364 WeakPolarHBondContact O-CA 3.36Å; N360-P364 WeakPolarHBondContact O-CB 3.46Å; N360-R368 PolarHBondContact OD1-NH1 3.29Å
361K97Very high93.9Very high107 Ų10748 Ų4847%0.46525%0.249SC..Hα-helixtrans-73.4-37.6175.9-72.4168.4179.2164.20112.6W57 D357 I358W57-K361 HydrophobicContact CH2-CB 3.73Å; W57-K361 HydrophobicContact CH2-CD 4.38Å; W57-K361 HydrophobicContact CZ3-CB 4.4Å; D357-K361 VanDerWaalsContact O-CG 3.3Å; D357-K361 WeakPolarHBondContact O-CG 3.41Å; D357-K361 PolarHBondContact O-N 3.03Å; D357-K361 VanDerWaalsContact O-N 3.15Å; D357-K361 WeakPolarHBondContact OD1-CE 3.46Å; D357-K361 IonicContact OD1-NZ 3.72Å; D357-K361 PolarHBondContact OD1-NZ 3.17Å; D357-K361 IonicContact OD2-NZ 3.75Å; D357-K361 PolarHBondContact OD2-NZ 2.9Å; I358-K361 PolarHBondContact O-N 3.37Å; I358-K361 VanDerWaalsContact O-N 3.14Å
362T97.4Very high93.6Very high1 Ų148 Ų481%0.00625%0.25CC..Hα-helixtrans-80.7-36-179.158.10000112.4W57 V60 A327 L330 I358 M359W57-T362 HydrophobicContact CH2-CG2 3.94Å; W57-T362 HydrophobicContact CZ3-CG2 3.92Å; V60-T362 HydrophobicContact CG1-CG2 4.26Å; V60-T362 HydrophobicContact CG2-CG2 3.85Å; A327-T362 HydrophobicContact CB-CG2 3.98Å; A327-T362 VanDerWaalsContact CB-OG1 3.28Å; A327-T362 WeakPolarHBondContact CB-OG1 3.42Å; L330-T362 HydrophobicContact CD1-CG2 3.73Å; I358-T362 HydrophobicContact CG2-CG2 4.36Å; I358-T362 WeakPolarHBondContact O-CG2 3.44Å; I358-T362 PolarHBondContact O-N 2.67Å; I358-T362 PolarHBondContact O-OG1 2.72Å; M359-T362 PolarHBondContact O-OG1 2.93Å
363M95.1Very high93.6Very high2 Ų247.3 Ų47.31%0.0125%0.245CC..  trans-136.471.1-175.2-61179.6-7900111.1F67 V323 Q324 A327 M359 H365 I366F67-M363 HydrophobicContact CE2-CB 4.44Å; F67-M363 HydrophobicContact CE2-CG 3.77Å; F67-M363 HydrophobicContact CE2-SD 4.13Å; F67-M363 HydrophobicContact CZ-CB 3.92Å; F67-M363 HydrophobicContact CZ-CG 3.75Å; F67-M363 HydrophobicContact CZ-SD 4.47Å; V323-M363 HydrophobicContact CG1-CG 3.69Å; V323-M363 HydrophobicContact CG1-SD 4.37Å; Q324-M363 HydrophobicContact CB-CE 4.38Å; Q324-M363 HydrophobicContact CB-SD 4.2Å; Q324-M363 HydrophobicContact CG-CE 4.29Å; A327-M363 HydrophobicContact CB-CE 3.98Å; M359-M363 HydrophobicContact CE-CE 3.26Å; M359-M363 CarbonylContact O-C 3.53Å; M359-M363 PolarHBondContact O-N 3.07Å; M359-M363 HydrophobicContact SD-CE 3.66Å; M363-H365 VanDerWaalsContact C-N 3.31Å; M363-H365 PolarHBondContact O-N 3.02Å; M363-I366 HydrophobicContact CB-CB 4.39Å; M363-I366 HydrophobicContact CB-CD1 3.88Å; M363-I366 HydrophobicContact CB-CG1 4.19Å; M363-I366 HydrophobicContact CG-CD1 4.25Å; M363-I366 PolarHBondContact O-N 3.37Å; M363-I366 HydrophobicContact SD-CD1 3.81Å
364P89.4Confident93.5Very high67 Ų6743.4 Ų43.444%0.43523%0.227SC..THydrogen-bonded Turntrans-68.5-21-168.625.2-35.3000115.5N360N360-P364 WeakPolarHBondContact O-CA 3.36Å; N360-P364 WeakPolarHBondContact O-CB 3.46Å
365H88.3Confident93.4Very high106 Ų10643 Ų4349%0.49122%0.224SC..THydrogen-bonded Turntrans-963.3-177.6-61.2-56.4000113.7L71 M363L71-H365 HydrophobicContact CD2-CB 3.56Å; M363-H365 VanDerWaalsContact C-N 3.31Å; M363-H365 PolarHBondContact O-N 3.02Å
366I91.8Very high93.3Very high5 Ų544 Ų443%0.02623%0.229CC..EExtended strand (participates in β ladder)trans-99.6117177.9-58.7-175.3000108.5F67 L71 I96 E98 L101 M363 R368F67-I366 HydrophobicContact CE2-CD1 4.24Å; F67-I366 HydrophobicContact CZ-CD1 3.85Å; F67-I366 HydrophobicContact CZ-CG1 4.35Å; L71-I366 HydrophobicContact CD1-CG1 4.37Å; I96-I366 CarbonylContact O-C 3.58Å; I96-I366 WeakPolarHBondContact O-CA 3.46Å; E98-I366 HydrophobicContact CB-CG2 3.81Å; L101-I366 HydrophobicContact CD1-CD1 3.81Å; L101-I366 HydrophobicContact CD1-CG2 4.23Å; L101-I366 HydrophobicContact CD2-CD1 4.05Å; M363-I366 HydrophobicContact CB-CB 4.39Å; M363-I366 HydrophobicContact CB-CD1 3.88Å; M363-I366 HydrophobicContact CB-CG1 4.19Å; M363-I366 HydrophobicContact CG-CD1 4.25Å; M363-I366 PolarHBondContact O-N 3.37Å; M363-I366 HydrophobicContact SD-CD1 3.81Å; I366-R368 PolarHBondContact O-NH1 2.94Å
367Q91.3Very high93.2Very high107 Ų10745.6 Ų45.650%0.523%0.234SC..EExtended strand (participates in β ladder)trans-75.5139.9178.6-81.2-176.1-600111.6T95 I96 A97 E98T95-Q367 VanDerWaalsContact CB-CD 3.5Å; T95-Q367 HydrophobicContact CG2-CG 4.19Å; T95-Q367 PolarHBondContact OG1-NE2 3.5Å; T95-Q367 PolarHBondContact OG1-OE1 3.22Å; I96-Q367 PolarHBondContact O-N 2.95Å; A97-Q367 CarbonylContact C-O 3.6Å; A97-Q367 WeakPolarHBondContact CA-O 3.24Å; E98-Q367 PolarHBondContact N-O 3.48Å
368R89.2Confident93.1Very high33 Ų3342.7 Ų42.713%0.12522%0.218CC..  trans-126.8143.5176.4-56.4-171-177.976.512109.6E98 M359 N360 I366E98-R368 HydrophobicContact CB-CG 4.33Å; E98-R368 HydrophobicContact CG-CG 4.24Å; E98-R368 VanDerWaalsContact OE2-CD 3.24Å; E98-R368 WeakPolarHBondContact OE2-CD 3.32Å; E98-R368 VanDerWaalsContact OE2-CG 3.29Å; E98-R368 WeakPolarHBondContact OE2-CG 3.41Å; E98-R368 IonicContact OE2-NE 3.66Å; E98-R368 PolarHBondContact OE2-NE 2.76Å; M359-R368 PolarHBondContact O-NH1 3.25Å; M359-R368 VanDerWaalsContact O-NH1 3.16Å; M359-R368 PolarHBondContact O-NH2 3.41Å; N360-R368 PolarHBondContact OD1-NH1 3.29Å; I366-R368 PolarHBondContact O-NH1 2.94Å
369S89.8Confident92.8Very high28 Ų2847.2 Ų47.220%0.19624%0.238CC..  trans-68.8131.9172.5-179.90000109D371 S372S369-D371 PolarHBondContact O-N 3.06Å; S369-D371 VanDerWaalsContact O-N 3.14Å; S369-S372 WeakPolarHBondContact O-CB 3.5Å; S369-S372 PolarHBondContact O-N 3.4Å
370P86.8Confident92.5Very high108 Ų10848.7 Ų48.770%0.70125%0.245SC*.THydrogen-bonded Turntrans-57-27.5175.8-26.335000113.5H356 S372H356-P370 PolarHBondContact CE1-O 2.96Å; P370-S372 VanDerWaalsContact C-N 3.33Å
371D86.4Confident92.4Very high114 Ų11445 Ų4561%0.6123%0.225SC*.THydrogen-bonded Turntrans-87.80.1179.4-61.9-32.1000113.3H9 S369H9-D371 PolarHBondContact N-O 2.63Å; S369-D371 PolarHBondContact O-N 3.06Å; S369-D371 VanDerWaalsContact O-N 3.14Å
372S92.2Very high92Very high1 Ų143.8 Ų43.81%0.00723%0.227CC..BIsolated β-bridgetrans-76.8123.2179.1-174.60000111E98 H356 S369 P370E98-S372 PolarHBondContact OE1-OG 2.83Å; H356-S372 PolarHBondContact NE2-O 3.49Å; S369-S372 WeakPolarHBondContact O-CB 3.5Å; S369-S372 PolarHBondContact O-N 3.4Å; P370-S372 VanDerWaalsContact C-N 3.33Å
373A95.5Very high91.5Very high0 Ų050.5 Ų50.50%026%0.258CS..  trans-125.865.8176.600000109.9Y7 H9 Q375 H376 R377Y7-A373 CarbonylContact O-C 3.59Å; Y7-A373 PolarHBondContact O-N 2.78Å; H9-A373 HydrophobicContact CB-CB 4.23Å; A373-Q375 VanDerWaalsContact CA-OE1 3.23Å; A373-Q375 PolarHBondContact O-N 3.32Å; A373-H376 WeakPolarHBondContact O-CB 3.5Å; A373-H376 PolarHBondContact O-N 3.15Å; A373-R377 PolarHBondContact O-NH1 3.11Å
374F95.1Very high91.1Very high27 Ų2752.4 Ų52.412%0.11827%0.266CS..G310 helixtrans-53.7-41.5175.9173.6-92.7000112Y7 Y328 F355 H376 R377 F378Y7-F374 HydrophobicContact CD1-CB 4.27Å; Y7-F374 AromaticContact CD1-CD2 3.93Å; Y7-F374 HydrophobicContact CD1-CD2 3.93Å; Y7-F374 HydrophobicContact CD1-CG 4.5Å; Y7-F374 AromaticContact CE1-CD2 3.42Å; Y7-F374 HydrophobicContact CE1-CD2 3.42Å; Y7-F374 VanDerWaalsContact CE1-CD2 3.42Å; Y7-F374 AromaticContact CE1-CE2 3.93Å; Y7-F374 HydrophobicContact CE1-CE2 3.93Å; Y7-F374 HydrophobicContact CE1-CG 4.31Å; Y7-F374 HydrophobicContact CE2-CD2 4.39Å; Y7-F374 AromaticContact CZ-CD2 3.68Å; Y7-F374 AromaticContact CZ-CE2 3.95Å; Y328-F374 HydrophobicContact CD1-CE1 4.34Å; Y328-F374 HydrophobicContact CE1-CD1 4.26Å; Y328-F374 AromaticContact CE1-CE1 3.88Å; Y328-F374 HydrophobicContact CE1-CE1 3.88Å; Y328-F374 HydrophobicContact CE1-CZ 4.41Å; Y328-F374 HydrophobicContact CE2-CE1 4.47Å; Y328-F374 HydrophobicContact CE2-CZ 4.37Å; Y328-F374 AromaticContact CZ-CE1 3.95Å; F355-F374 HydrophobicContact CE1-CB 3.81Å; F355-F374 HydrophobicContact CE1-CD1 4.41Å; F355-F374 HydrophobicContact CE1-CG 4.48Å; F355-F374 AromaticContact CE2-CD1 3.82Å; F355-F374 HydrophobicContact CE2-CD1 3.82Å; F355-F374 HydrophobicContact CZ-CB 3.8Å; F355-F374 AromaticContact CZ-CD1 3.54Å; F355-F374 HydrophobicContact CZ-CD1 3.54Å; F355-F374 HydrophobicContact CZ-CE1 4.49Å; F355-F374 AromaticContact CZ-CG 3.98Å; F355-F374 HydrophobicContact CZ-CG 3.98Å; F374-H376 PolarHBondContact O-N 3.39Å; F374-H376 VanDerWaalsContact O-N 3.08Å; F374-R377 PolarHBondContact O-N 3.47Å; F374-F378 HydrophobicContact CD1-CB 4.42Å; F374-F378 HydrophobicContact CE1-CB 4.05Å; F374-F378 HydrophobicContact CE1-CD2 4.13Å; F374-F378 HydrophobicContact CE1-CG 4.07Å; F374-F378 PolarHBondContact O-N 2.98Å
375Q95.4Very high91.3Very high3 Ų349.3 Ų49.31%0.01425%0.246CC..G310 helixtrans-59.6-24-175.575.5-70.8-7.100114L17 Y331 T351 T352 F355 A373 R377 F378L17-Q375 HydrophobicContact CD2-CG 4.16Å; Y331-Q375 HydrophobicContact CD1-CB 4.49Å; Y331-Q375 HydrophobicContact CE1-CB 3.64Å; Y331-Q375 HydrophobicContact CE1-CG 4.45Å; Y331-Q375 HydrophobicContact CE2-CB 4.27Å; Y331-Q375 HydrophobicContact CE2-CG 4.43Å; Y331-Q375 WeakPolarHBondContact OH-CB 3.17Å; Y331-Q375 VanDerWaalsContact OH-CG 3.28Å; Y331-Q375 WeakPolarHBondContact OH-CG 3.41Å; T351-Q375 WeakPolarHBondContact OG1-CG 3.46Å; T351-Q375 PolarHBondContact OG1-NE2 3.18Å; T351-Q375 VanDerWaalsContact OG1-NE2 3.15Å; T352-Q375 VanDerWaalsContact CA-NE2 3.25Å; T352-Q375 PolarHBondContact OG1-NE2 3.44Å; F355-Q375 HydrophobicContact CB-CB 4.44Å; F355-Q375 HydrophobicContact CB-CG 4.4Å; F355-Q375 HydrophobicContact CD2-CB 4.06Å; F355-Q375 HydrophobicContact CG-CB 4.25Å; A373-Q375 VanDerWaalsContact CA-OE1 3.23Å; A373-Q375 PolarHBondContact O-N 3.32Å; Q375-R377 PolarHBondContact O-N 2.68Å; Q375-F378 PolarHBondContact O-N 2.88Å; Q375-F378 VanDerWaalsContact O-N 3.16Å
376H95.6Very high91.7Very high25 Ų2544.3 Ų44.312%0.11622%0.223CC..G310 helixtrans-62.5-24.7174.6-68.5-175.3000113.1H9 D10 Q13 E14 A373 F374H9-H376 AromaticContact CE1-CE1 3.59Å; H9-H376 AromaticContact CE1-NE2 3.97Å; H9-H376 AromaticContact ND1-CE1 3.38Å; H9-H376 PolarHBondContact ND1-CE1 3.14Å; H9-H376 AromaticContact ND1-NE2 3.92Å; D10-H376 PolarHBondContact N-CE1 2.97Å; D10-H376 PolarHBondContact N-ND1 2.97Å; D10-H376 PolarHBondContact O-CE1 3.35Å; Q13-H376 HydrophobicContact CB-CB 3.96Å; Q13-H376 VanDerWaalsContact OE1-CB 3.32Å; E14-H376 IonicContact OE2-CD2 3.66Å; E14-H376 IonicContact OE2-CE1 3.5Å; E14-H376 IonicContact OE2-NE2 3.46Å; E14-H376 PolarHBondContact OE2-NE2 3.14Å; A373-H376 WeakPolarHBondContact O-CB 3.5Å; A373-H376 PolarHBondContact O-N 3.15Å; F374-H376 PolarHBondContact O-N 3.39Å; F374-H376 VanDerWaalsContact O-N 3.08Å
377R93.9Very high91.9Very high65 Ų6547.4 Ų47.425%0.24524%0.236CC..G310 helixtrans-108.86.1179.6-62.988.2-158-161.1-13.2112.1F6 Y7 R8 Q13 A373 F374 Q375 H379F6-R377 HydrophobicContact CE1-CG 4.45Å; F6-R377 PolarHBondContact O-NH1 3.44Å; Y7-R377 VanDerWaalsContact CA-NH1 3.3Å; Y7-R377 HydrophobicContact CE1-CB 4.28Å; Y7-R377 PolarHBondContact O-NH1 2.89Å; R8-R377 VanDerWaalsContact O-CZ 3.31Å; R8-R377 PolarHBondContact O-NH1 3.27Å; R8-R377 PolarHBondContact O-NH2 2.93Å; Q13-R377 VanDerWaalsContact OE1-CZ 3.26Å; A373-R377 PolarHBondContact O-NH1 3.11Å; F374-R377 PolarHBondContact O-N 3.47Å; Q375-R377 PolarHBondContact O-N 2.68Å; R377-H379 VanDerWaalsContact C-N 3.29Å; R377-H379 PolarHBondContact O-N 3.38Å
378F94.7Very high92.2Very high11 Ų1143.1 Ų43.15%0.04822%0.216CC..  trans-83.176.3179.2-170.2-145.5000111Y328 Y331 D332 F374 Q375 H380 T381 Y388Y328-F378 HydrophobicContact CG-CZ 4.49Å; Y331-F378 HydrophobicContact CD1-CD1 4.11Å; Y331-F378 HydrophobicContact CD1-CE1 4.37Å; Y331-F378 HydrophobicContact CE1-CD1 4.34Å; D332-F378 HydrophobicContact CB-CE1 4.39Å; F374-F378 HydrophobicContact CD1-CB 4.42Å; F374-F378 HydrophobicContact CE1-CB 4.05Å; F374-F378 HydrophobicContact CE1-CD2 4.13Å; F374-F378 HydrophobicContact CE1-CG 4.07Å; F374-F378 PolarHBondContact O-N 2.98Å; Q375-F378 PolarHBondContact O-N 2.88Å; Q375-F378 VanDerWaalsContact O-N 3.16Å; F378-H380 HydrophobicContact CD2-CB 4.12Å; F378-H380 AromaticContact CD2-ND1 3.89Å; F378-H380 HydrophobicContact CE2-CB 3.67Å; F378-H380 AromaticContact CE2-CG 3.7Å; F378-H380 AromaticContact CE2-ND1 3.67Å; F378-H380 HydrophobicContact CZ-CB 3.94Å; F378-H380 PolarHBondContact O-N 3.4Å; F378-T381 WeakPolarHBondContact CD1-OG1 3.48Å; F378-T381 WeakPolarHBondContact O-CB 3.44Å; F378-T381 PolarHBondContact O-N 3.27Å; F378-T381 VanDerWaalsContact O-N 3.07Å; F378-T381 PolarHBondContact O-OG1 3.34Å; F378-Y388 AromaticContact CE2-CD2 3.94Å; F378-Y388 HydrophobicContact CE2-CD2 3.94Å; F378-Y388 AromaticContact CE2-CE2 3.54Å; F378-Y388 HydrophobicContact CE2-CE2 3.54Å; F378-Y388 AromaticContact CE2-CZ 3.87Å; F378-Y388 HydrophobicContact CZ-CD1 4.02Å; F378-Y388 AromaticContact CZ-CD2 3.48Å; F378-Y388 HydrophobicContact CZ-CD2 3.48Å; F378-Y388 VanDerWaalsContact CZ-CD2 3.48Å; F378-Y388 AromaticContact CZ-CE1 4Å; F378-Y388 HydrophobicContact CZ-CE1 4Å; F378-Y388 AromaticContact CZ-CE2 3.46Å; F378-Y388 HydrophobicContact CZ-CE2 3.46Å; F378-Y388 VanDerWaalsContact CZ-CE2 3.46Å; F378-Y388 AromaticContact CZ-CG 3.73Å; F378-Y388 HydrophobicContact CZ-CG 3.73Å; F378-Y388 AromaticContact CZ-CZ 3.7Å
379H91Very high92.6Very high100 Ų10041.8 Ų41.846%0.46321%0.211SC..THydrogen-bonded Turntrans-57.7-21.6-172.371.6-94.3000114.8R377 T381 V382 Q383R377-H379 VanDerWaalsContact C-N 3.29Å; R377-H379 PolarHBondContact O-N 3.38Å; H379-T381 PolarHBondContact O-N 2.95Å; H379-V382 WeakPolarHBondContact O-CA 3.5Å; H379-V382 WeakPolarHBondContact O-CB 3.41Å; H379-V382 PolarHBondContact O-N 3.16Å; H379-Q383 PolarHBondContact O-N 3.35Å
380H92.2Very high92.9Very high33 Ų3340.6 Ų40.615%0.15320%0.202CC..Hα-helixtrans-61.4-36.3178-64.766.3000111.3F378 V382 Q383 Y384 Y388F378-H380 HydrophobicContact CD2-CB 4.12Å; F378-H380 AromaticContact CD2-ND1 3.89Å; F378-H380 HydrophobicContact CE2-CB 3.67Å; F378-H380 AromaticContact CE2-CG 3.7Å; F378-H380 AromaticContact CE2-ND1 3.67Å; F378-H380 HydrophobicContact CZ-CB 3.94Å; F378-H380 PolarHBondContact O-N 3.4Å; H380-V382 PolarHBondContact O-N 3.21Å; H380-V382 VanDerWaalsContact O-N 3.14Å; H380-Q383 PolarHBondContact O-N 3.44Å; H380-Y384 HydrophobicContact CB-CE2 3.79Å; H380-Y384 AromaticContact CD2-CE2 3.64Å; H380-Y384 AromaticContact CD2-CZ 3.45Å; H380-Y384 VanDerWaalsContact CD2-CZ 3.45Å; H380-Y384 PolarHBondContact CD2-OH 3.02Å; H380-Y384 AromaticContact CG-CZ 3.95Å; H380-Y384 PolarHBondContact NE2-OH 2.89Å; H380-Y384 PolarHBondContact O-N 3.15Å; H380-Y388 HydrophobicContact CB-CD2 3.68Å; H380-Y388 HydrophobicContact CB-CE2 4.05Å; H380-Y388 AromaticContact CD2-CD2 3.41Å; H380-Y388 VanDerWaalsContact CD2-CD2 3.41Å; H380-Y388 WeakPolarHBondContact CD2-CD2 3.28Å; H380-Y388 AromaticContact CD2-CE2 3.17Å; H380-Y388 WeakPolarHBondContact CD2-CE2 3.33Å; H380-Y388 AromaticContact CG-CD2 3.74Å; H380-Y388 AromaticContact CG-CE2 3.62Å; H380-Y388 AromaticContact NE2-CE2 3.68Å
381T91.7Very high93.3Very high1 Ų138.4 Ų38.41%0.00618%0.181CC..Hα-helixtrans-56.2-30.4171.9-41.30000111L17 R24 V335 F378 H379 G385L17-T381 HydrophobicContact CD1-CG2 4.14Å; R24-T381 PolarHBondContact NH1-O 2.67Å; V335-T381 HydrophobicContact CG1-CG2 4.19Å; F378-T381 WeakPolarHBondContact CD1-OG1 3.48Å; F378-T381 WeakPolarHBondContact O-CB 3.44Å; F378-T381 PolarHBondContact O-N 3.27Å; F378-T381 VanDerWaalsContact O-N 3.07Å; F378-T381 PolarHBondContact O-OG1 3.34Å; H379-T381 PolarHBondContact O-N 2.95Å; T381-G385 WeakPolarHBondContact O-CA 3.5Å
382V90.1Very high93.9Very high83 Ų8333.4 Ų33.450%0.50315%0.154SC..Hα-helixtrans-82.5-50.5-178.4-173.20000111.7L20 R24 H379 H380L20-V382 HydrophobicContact CD2-CB 4.46Å; L20-V382 HydrophobicContact CD2-CG1 4.37Å; L20-V382 HydrophobicContact CD2-CG2 4.2Å; R24-V382 PolarHBondContact NH2-O 3.28Å; H379-V382 WeakPolarHBondContact O-CA 3.5Å; H379-V382 WeakPolarHBondContact O-CB 3.41Å; H379-V382 PolarHBondContact O-N 3.16Å; H380-V382 PolarHBondContact O-N 3.21Å; H380-V382 VanDerWaalsContact O-N 3.14Å
383Q86Confident94.2Very high141 Ų14133.4 Ų33.466%0.65915%0.154SC*.Hα-helixtrans-76.7-38.7-170.2-65.3179.7-0.500113.7H379 H380H379-Q383 PolarHBondContact O-N 3.35Å; H380-Q383 PolarHBondContact O-N 3.44Å
384Y86.1Confident94.3Very high42 Ų4233.4 Ų33.417%0.16515%0.154CC..SBendtrans-144.148.8-176.141.3-96.7000111.9H380 K387 Y388 Y391H380-Y384 HydrophobicContact CB-CE2 3.79Å; H380-Y384 AromaticContact CD2-CE2 3.64Å; H380-Y384 AromaticContact CD2-CZ 3.45Å; H380-Y384 VanDerWaalsContact CD2-CZ 3.45Å; H380-Y384 PolarHBondContact CD2-OH 3.02Å; H380-Y384 AromaticContact CG-CZ 3.95Å; H380-Y384 PolarHBondContact NE2-OH 2.89Å; H380-Y384 PolarHBondContact O-N 3.15Å; Y384-K387 VanDerWaalsContact O-CB 3.25Å; Y384-K387 WeakPolarHBondContact O-CB 3.5Å; Y384-K387 PolarHBondContact O-N 3.44Å; Y384-K387 VanDerWaalsContact O-N 3.16Å; Y384-Y388 HydrophobicContact CE2-CD2 4.5Å; Y384-Y391 HydrophobicContact CE2-CE2 4.13Å; Y384-Y391 PolarHBondContact OH-OH 3.48Å
385G94.7Very high94.4Very high3 Ų334 Ų343%0.03116%0.155CC..THydrogen-bonded Turntrans-48.3145-178.400000114.5F36 D332 T381 K387F36-G385 WeakPolarHBondContact CE1-O 3.36Å; D332-G385 WeakPolarHBondContact OD1-CA 3.39Å; T381-G385 WeakPolarHBondContact O-CA 3.5Å; G385-K387 VanDerWaalsContact C-N 3.26Å; G385-K387 PolarHBondContact O-N 2.93Å
386A96.7Very high94.5Very high0 Ų033.8 Ų33.80%015%0.154CC..THydrogen-bonded Turntrans63.420.3-171.800000115.3F36 A37 A40 Q41 D332 H336F36-A386 HydrophobicContact CD1-CB 4.26Å; A37-A386 HydrophobicContact CB-CB 3.97Å; A40-A386 HydrophobicContact CB-CB 3.86Å; Q41-A386 PolarHBondContact NE2-O 2.94Å; D332-A386 PolarHBondContact OD1-N 3.34Å; D332-A386 VanDerWaalsContact OD2-C 3.28Å; D332-A386 WeakPolarHBondContact OD2-CA 3.35Å; D332-A386 PolarHBondContact OD2-N 3.32Å; H336-A386 HydrophobicContact CB-CB 3.79Å; H336-A386 PolarHBondContact ND1-N 3.47Å
387K96.4Very high94.6Very high70 Ų7032.6 Ų32.630%0.30415%0.149SC..  trans-127.91.5-179.6-57.6-174.1172.3-167.40114.6A40 D332 Y384 G385 Y389 S390A40-K387 HydrophobicContact CB-CG 4.38Å; A40-K387 WeakPolarHBondContact O-CE 3.41Å; A40-K387 PolarHBondContact O-NZ 3.33Å; D332-K387 PolarHBondContact OD2-N 3.12Å; Y384-K387 VanDerWaalsContact O-CB 3.25Å; Y384-K387 WeakPolarHBondContact O-CB 3.5Å; Y384-K387 PolarHBondContact O-N 3.44Å; Y384-K387 VanDerWaalsContact O-N 3.16Å; G385-K387 VanDerWaalsContact C-N 3.26Å; G385-K387 PolarHBondContact O-N 2.93Å; K387-Y389 PolarHBondContact O-N 3.17Å; K387-S390 WeakPolarHBondContact O-CB 3.17Å; K387-S390 PolarHBondContact O-N 2.92Å; K387-S390 PolarHBondContact O-OG 3.06Å
388Y97.2Very high94.9Very high18 Ų1829.5 Ų29.57%0.07114%0.137CC..THydrogen-bonded Turntrans-57.6-28.1-177.7-169-97.4000113.8Q325 Y328 D332 F378 H380 Y384 S390 Y391Q325-Y388 VanDerWaalsContact OE1-CE1 3.31Å; Q325-Y388 PolarHBondContact OE1-OH 3.4Å; Y328-Y388 VanDerWaalsContact CB-CE1 3.46Å; Y328-Y388 HydrophobicContact CD2-CE1 4.28Å; Y328-Y388 HydrophobicContact CG-CE1 4.4Å; D332-Y388 WeakPolarHBondContact OD2-CB 3.29Å; D332-Y388 PolarHBondContact OD2-N 3.22Å; F378-Y388 AromaticContact CE2-CD2 3.94Å; F378-Y388 HydrophobicContact CE2-CD2 3.94Å; F378-Y388 AromaticContact CE2-CE2 3.54Å; F378-Y388 HydrophobicContact CE2-CE2 3.54Å; F378-Y388 AromaticContact CE2-CZ 3.87Å; F378-Y388 HydrophobicContact CZ-CD1 4.02Å; F378-Y388 AromaticContact CZ-CD2 3.48Å; F378-Y388 HydrophobicContact CZ-CD2 3.48Å; F378-Y388 VanDerWaalsContact CZ-CD2 3.48Å; F378-Y388 AromaticContact CZ-CE1 4Å; F378-Y388 HydrophobicContact CZ-CE1 4Å; F378-Y388 AromaticContact CZ-CE2 3.46Å; F378-Y388 HydrophobicContact CZ-CE2 3.46Å; F378-Y388 VanDerWaalsContact CZ-CE2 3.46Å; F378-Y388 AromaticContact CZ-CG 3.73Å; F378-Y388 HydrophobicContact CZ-CG 3.73Å; F378-Y388 AromaticContact CZ-CZ 3.7Å; H380-Y388 HydrophobicContact CB-CD2 3.68Å; H380-Y388 HydrophobicContact CB-CE2 4.05Å; H380-Y388 AromaticContact CD2-CD2 3.41Å; H380-Y388 VanDerWaalsContact CD2-CD2 3.41Å; H380-Y388 WeakPolarHBondContact CD2-CD2 3.28Å; H380-Y388 AromaticContact CD2-CE2 3.17Å; H380-Y388 WeakPolarHBondContact CD2-CE2 3.33Å; H380-Y388 AromaticContact CG-CD2 3.74Å; H380-Y388 AromaticContact CG-CE2 3.62Å; H380-Y388 AromaticContact NE2-CE2 3.68Å; Y384-Y388 HydrophobicContact CE2-CD2 4.5Å; Y388-S390 PolarHBondContact O-N 3.03Å; Y388-Y391 HydrophobicContact CD2-CD2 4.1Å; Y388-Y391 HydrophobicContact CD2-CE2 4.14Å; Y388-Y391 HydrophobicContact CE2-CD2 4.14Å; Y388-Y391 HydrophobicContact CE2-CE2 4.19Å; Y388-Y391 WeakPolarHBondContact O-CD2 3.29Å; Y388-Y391 PolarHBondContact O-N 3.21Å
389Y97.1Very high95Very high5 Ų529.1 Ų29.12%0.0214%0.135CC..THydrogen-bonded Turntrans-56.3-20.8173.379.2-87.2000114.1Q41 S44 L46 V52 K387 Y391 L392 V393Q41-Y389 PolarHBondContact OE1-OH 3.48Å; S44-Y389 VanDerWaalsContact CB-OH 3.3Å; S44-Y389 WeakPolarHBondContact CB-OH 3.45Å; S44-Y389 PolarHBondContact OG-OH 3.15Å; L46-Y389 HydrophobicContact CD1-CD2 4.37Å; L46-Y389 HydrophobicContact CD1-CE2 4.14Å; V52-Y389 HydrophobicContact CB-CE2 4.47Å; V52-Y389 HydrophobicContact CG1-CD1 3.4Å; V52-Y389 VanDerWaalsContact CG1-CD1 3.4Å; V52-Y389 HydrophobicContact CG1-CD2 3.62Å; V52-Y389 HydrophobicContact CG1-CE1 3.75Å; V52-Y389 HydrophobicContact CG1-CE2 3.98Å; V52-Y389 HydrophobicContact CG1-CG 3.32Å; V52-Y389 HydrophobicContact CG2-CD1 4.39Å; V52-Y389 HydrophobicContact CG2-CD2 4.14Å; V52-Y389 HydrophobicContact CG2-CE1 3.9Å; V52-Y389 HydrophobicContact CG2-CE2 3.64Å; V52-Y389 HydrophobicContact CG2-CG 4.49Å; V52-Y389 VanDerWaalsContact CG2-CZ 3.48Å; K387-Y389 PolarHBondContact O-N 3.17Å; Y389-Y391 PolarHBondContact O-N 3.38Å; Y389-L392 PolarHBondContact O-N 3.4Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; Y389-V393 HydrophobicContact CD2-CB 4.48Å; Y389-V393 HydrophobicContact CD2-CG2 3.58Å; Y389-V393 HydrophobicContact CE2-CG2 3.9Å; Y389-V393 PolarHBondContact O-N 3.03Å; Y389-V393 VanDerWaalsContact O-N 3.09Å
390S96.2Very high95.3Very high2 Ų225 Ų251%0.01412%0.117CC..Hα-helixtrans-57.9-32-177.564.70000112.5Q268 K387 Y388 V393 A394Q268-S390 WeakPolarHBondContact CG-OG 3.28Å; Q268-S390 PolarHBondContact NE2-OG 3.27Å; K387-S390 WeakPolarHBondContact O-CB 3.17Å; K387-S390 PolarHBondContact O-N 2.92Å; K387-S390 PolarHBondContact O-OG 3.06Å; Y388-S390 PolarHBondContact O-N 3.03Å; S390-V393 PolarHBondContact O-N 3.29Å; S390-A394 VanDerWaalsContact O-CB 3.23Å; S390-A394 WeakPolarHBondContact O-CB 3.26Å; S390-A394 PolarHBondContact O-N 3.37Å
391Y96.3Very high95.6Very high63 Ų6323.4 Ų23.425%0.24711%0.109CC..Hα-helixtrans-62-46.3176.5-71-69.8000111.7Q268 E272 Y384 Y388 Y389 A394 R395Q268-Y391 PolarHBondContact NE2-OH 2.92Å; E272-Y391 HydrophobicContact CG-CD1 4.11Å; E272-Y391 HydrophobicContact CG-CE1 4.06Å; Y384-Y391 HydrophobicContact CE2-CE2 4.13Å; Y384-Y391 PolarHBondContact OH-OH 3.48Å; Y388-Y391 HydrophobicContact CD2-CD2 4.1Å; Y388-Y391 HydrophobicContact CD2-CE2 4.14Å; Y388-Y391 HydrophobicContact CE2-CD2 4.14Å; Y388-Y391 HydrophobicContact CE2-CE2 4.19Å; Y388-Y391 WeakPolarHBondContact O-CD2 3.29Å; Y388-Y391 PolarHBondContact O-N 3.21Å; Y389-Y391 PolarHBondContact O-N 3.38Å; Y391-A394 PolarHBondContact O-N 3.34Å; Y391-R395 WeakPolarHBondContact O-CB 3.32Å; Y391-R395 PolarHBondContact O-N 3.46Å
392L97.8Very high95.9Very high9 Ų924.1 Ų24.15%0.04711%0.112CC..Hα-helixtrans-69.6-37.2177.4-72.7-179.2000112.3F55 L56 T322 Q325 A326 Y389 A394 A396 L452F55-L392 HydrophobicContact CE1-CB 3.89Å; F55-L392 HydrophobicContact CZ-CB 3.89Å; L56-L392 HydrophobicContact CD2-CD1 4.28Å; T322-L392 HydrophobicContact CG2-CD2 4.36Å; Q325-L392 HydrophobicContact CB-CD1 4.16Å; Q325-L392 HydrophobicContact CB-CD2 3.99Å; Q325-L392 HydrophobicContact CB-CG 4.17Å; A326-L392 HydrophobicContact CB-CD1 3.79Å; Y389-L392 PolarHBondContact O-N 3.4Å; Y389-L392 VanDerWaalsContact O-N 3.11Å; L392-A394 VanDerWaalsContact C-N 3.35Å; L392-A396 WeakPolarHBondContact O-CB 3.46Å; L392-A396 PolarHBondContact O-N 2.66Å; L392-L452 HydrophobicContact CB-CD1 4.12Å; L392-L452 HydrophobicContact CD2-CD1 4.25Å
393V97.9Very high96.2Very high0 Ų023 Ų230%010%0.101CC..Hα-helixtrans-63.8-43.2174.61690000111.1L45 L46 F55 D269 Y389 S390 A396 S397 L448L45-V393 HydrophobicContact CB-CG1 4.3Å; L45-V393 HydrophobicContact CD2-CG1 3.54Å; L45-V393 HydrophobicContact CG-CG1 4.5Å; L46-V393 HydrophobicContact CD1-CG2 3.76Å; L46-V393 HydrophobicContact CG-CG2 4.3Å; F55-V393 HydrophobicContact CD1-CG2 3.92Å; F55-V393 HydrophobicContact CE1-CG2 3.52Å; F55-V393 HydrophobicContact CE2-CG2 4.4Å; F55-V393 HydrophobicContact CZ-CG2 3.8Å; D269-V393 HydrophobicContact CB-CB 4.22Å; D269-V393 HydrophobicContact CB-CG1 3.89Å; Y389-V393 HydrophobicContact CD2-CB 4.48Å; Y389-V393 HydrophobicContact CD2-CG2 3.58Å; Y389-V393 HydrophobicContact CE2-CG2 3.9Å; Y389-V393 PolarHBondContact O-N 3.03Å; Y389-V393 VanDerWaalsContact O-N 3.09Å; S390-V393 PolarHBondContact O-N 3.29Å; V393-A396 PolarHBondContact O-N 3.48Å; V393-S397 WeakPolarHBondContact O-CB 3.29Å; V393-S397 PolarHBondContact O-N 2.78Å; V393-S397 PolarHBondContact O-OG 2.9Å; V393-L448 HydrophobicContact CG1-CD1 4.16Å; V393-L448 HydrophobicContact CG2-CD1 4.47Å
394A97.8Very high96.7Very high0 Ų019.8 Ų19.80%09%0.086CC..Hα-helixtrans-66.3-44.3178.700000111.7E272 I273 S390 Y391 L392 S397 A398E272-A394 HydrophobicContact CB-CB 3.32Å; E272-A394 HydrophobicContact CG-CB 4.46Å; I273-A394 HydrophobicContact CG1-CB 3.9Å; S390-A394 VanDerWaalsContact O-CB 3.23Å; S390-A394 WeakPolarHBondContact O-CB 3.26Å; S390-A394 PolarHBondContact O-N 3.37Å; Y391-A394 PolarHBondContact O-N 3.34Å; L392-A394 VanDerWaalsContact C-N 3.35Å; A394-S397 PolarHBondContact O-N 3.17Å; A394-A398 WeakPolarHBondContact O-CB 3.06Å; A394-A398 PolarHBondContact O-N 3.44Å
395R97.6Very high97.3Very high39 Ų3919.8 Ų19.815%0.1479%0.086CC..Hα-helixtrans-59.4-47.5173.9-171.2175.7-170.587.22.2111.8N276 E279 Y391 S397 A398 C399 L452 E455N276-R395 WeakPolarHBondContact OD1-CB 3.19Å; E279-R395 IonicContact OE2-NH1 3.99Å; E279-R395 PolarHBondContact OE2-NH1 3.27Å; Y391-R395 WeakPolarHBondContact O-CB 3.32Å; Y391-R395 PolarHBondContact O-N 3.46Å; R395-S397 VanDerWaalsContact C-N 3.3Å; R395-S397 PolarHBondContact O-N 3.15Å; R395-A398 PolarHBondContact O-N 3.23Å; R395-C399 VanDerWaalsContact O-CB 3.32Å; R395-C399 WeakPolarHBondContact O-CB 3.08Å; R395-C399 PolarHBondContact O-N 2.8Å; R395-L452 HydrophobicContact CB-CD2 4.24Å; R395-L452 HydrophobicContact CG-CD2 4.07Å; R395-E455 IonicContact CZ-OE1 2.75Å; R395-E455 IonicContact NE-OE1 3.09Å; R395-E455 PolarHBondContact NE-OE1 3.02Å; R395-E455 VanDerWaalsContact NE-OE1 3.17Å; R395-E455 IonicContact NE-OE2 3.3Å; R395-E455 PolarHBondContact NE-OE2 3Å; R395-E455 VanDerWaalsContact NE-OE2 3.14Å; R395-E455 IonicContact NH2-OE1 3.57Å; R395-E455 PolarHBondContact NH2-OE1 2.85Å
396A98.1Very high97.4Very high0 Ų019.7 Ų19.70%09%0.085CC..Hα-helixtrans-59.7-41.5176.600000112.1L392 V393 C399 L400 L448 A451 L452L392-A396 WeakPolarHBondContact O-CB 3.46Å; L392-A396 PolarHBondContact O-N 2.66Å; V393-A396 PolarHBondContact O-N 3.48Å; A396-C399 WeakPolarHBondContact O-CB 3.36Å; A396-C399 PolarHBondContact O-N 3.18Å; A396-L400 WeakPolarHBondContact O-CG 3.05Å; A396-L400 PolarHBondContact O-N 2.84Å; A396-L448 HydrophobicContact CB-CB 3.79Å; A396-L448 HydrophobicContact CB-CD2 3.7Å; A396-L448 HydrophobicContact CB-CG 4.33Å; A396-L448 WeakPolarHBondContact CB-O 3.44Å; A396-A451 HydrophobicContact CB-CB 4.44Å; A396-L452 HydrophobicContact CB-CD1 4.05Å; A396-L452 HydrophobicContact CB-CD2 4.12Å; A396-L452 HydrophobicContact CB-CG 3.77Å
397S98.4Very high97.3Very high0 Ų023.7 Ų23.70%011%0.106CC..Hα-helixtrans-67.9-43178.1-58.30000111.8V393 A394 R395 C399 L400 I401 L448V393-S397 WeakPolarHBondContact O-CB 3.29Å; V393-S397 PolarHBondContact O-N 2.78Å; V393-S397 PolarHBondContact O-OG 2.9Å; A394-S397 PolarHBondContact O-N 3.17Å; R395-S397 VanDerWaalsContact C-N 3.3Å; R395-S397 PolarHBondContact O-N 3.15Å; S397-C399 VanDerWaalsContact C-N 3.33Å; S397-C399 PolarHBondContact O-N 3.15Å; S397-L400 PolarHBondContact O-N 2.69Å; S397-I401 WeakPolarHBondContact O-CG1 3.35Å; S397-I401 PolarHBondContact O-N 3.41Å; S397-L448 WeakPolarHBondContact OG-CD2 3.38Å
398A98.3Very high97.3Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-61.4-41.1173.100000111.6I273 N276 L277 Y280 A394 R395 L400 I401 W402I273-A398 HydrophobicContact CG2-CB 4.27Å; N276-A398 HydrophobicContact CB-CB 3.59Å; L277-A398 HydrophobicContact CB-CB 4.24Å; Y280-A398 HydrophobicContact CD2-CB 4.05Å; Y280-A398 HydrophobicContact CE2-CB 3.92Å; A394-A398 WeakPolarHBondContact O-CB 3.06Å; A394-A398 PolarHBondContact O-N 3.44Å; R395-A398 PolarHBondContact O-N 3.23Å; A398-L400 PolarHBondContact O-N 2.94Å; A398-I401 PolarHBondContact O-N 3.35Å; A398-W402 WeakPolarHBondContact O-CB 3.38Å; A398-W402 PolarHBondContact O-N 2.85Å
399C97.5Very high97.3Very high2 Ų231 Ų311%0.01415%0.149CC..Hα-helixtrans-59.1-45.8174.5-169.20000111.7Y280 R395 A396 S397 W402 Q403 A451Y280-C399 HydrophobicContact CE2-CB 4.04Å; Y280-C399 WeakPolarHBondContact OH-CB 3.3Å; R395-C399 VanDerWaalsContact O-CB 3.32Å; R395-C399 WeakPolarHBondContact O-CB 3.08Å; R395-C399 PolarHBondContact O-N 2.8Å; A396-C399 WeakPolarHBondContact O-CB 3.36Å; A396-C399 PolarHBondContact O-N 3.18Å; S397-C399 VanDerWaalsContact C-N 3.33Å; S397-C399 PolarHBondContact O-N 3.15Å; C399-W402 PolarHBondContact O-N 2.79Å; C399-Q403 WeakPolarHBondContact O-CB 3.3Å; C399-Q403 VanDerWaalsContact O-CG 3.26Å; C399-Q403 WeakPolarHBondContact O-CG 3.4Å; C399-Q403 PolarHBondContact O-N 2.99Å; C399-Q403 PolarHBondContact SG-NE2 2.94Å; C399-A451 HydrophobicContact CB-CB 4.22Å
400L98.1Very high97.2Very high13 Ų1331.8 Ų31.87%0.06816%0.155CC..Hα-helixtrans-62.3-43.2175.6-71.2172.8000111.9A396 S397 A398 Q404 L439 P443 D447 L448 A451A396-L400 WeakPolarHBondContact O-CG 3.05Å; A396-L400 PolarHBondContact O-N 2.84Å; S397-L400 PolarHBondContact O-N 2.69Å; A398-L400 PolarHBondContact O-N 2.94Å; L400-Q404 WeakPolarHBondContact O-CB 3.18Å; L400-Q404 VanDerWaalsContact O-CG 3.26Å; L400-Q404 WeakPolarHBondContact O-CG 3.19Å; L400-Q404 PolarHBondContact O-N 2.94Å; L400-Q404 VanDerWaalsContact O-N 3.08Å; L400-L439 HydrophobicContact CB-CD1 4.18Å; L400-L439 HydrophobicContact CB-CD2 3.97Å; L400-L439 HydrophobicContact CD1-CD1 4.38Å; L400-P443 HydrophobicContact CD1-CB 3.97Å; L400-P443 HydrophobicContact CD1-CG 4.04Å; L400-D447 HydrophobicContact CD1-CB 4.48Å; L400-L448 HydrophobicContact CD1-CD2 3.97Å; L400-A451 HydrophobicContact CD2-CB 3.92Å; L400-A451 HydrophobicContact CG-CB 3.87Å
401I98.4Very high97.2Very high0 Ų034 Ų340%017%0.165CC..Hα-helixtrans-61.8-49.8176.7-67.7165.1000109.7I273 L277 S397 A398 Q404 R405 F406 W419 L435 I438 L439I273-I401 HydrophobicContact CG2-CD1 3.69Å; L277-I401 HydrophobicContact CD1-CB 4.35Å; L277-I401 HydrophobicContact CD1-CG2 4Å; L277-I401 HydrophobicContact CD2-CG2 3.89Å; S397-I401 WeakPolarHBondContact O-CG1 3.35Å; S397-I401 PolarHBondContact O-N 3.41Å; A398-I401 PolarHBondContact O-N 3.35Å; I401-Q404 PolarHBondContact O-N 3.14Å; I401-R405 WeakPolarHBondContact O-CB 3.12Å; I401-R405 WeakPolarHBondContact O-CG 3.46Å; I401-R405 PolarHBondContact O-N 3.5Å; I401-F406 HydrophobicContact CG2-CD2 4.01Å; I401-F406 HydrophobicContact CG2-CE2 3.77Å; I401-W419 HydrophobicContact CD1-CE3 4.26Å; I401-W419 HydrophobicContact CD1-CH2 3.81Å; I401-W419 HydrophobicContact CD1-CZ2 4.47Å; I401-W419 HydrophobicContact CD1-CZ3 3.68Å; I401-L435 HydrophobicContact CD1-CD2 4.02Å; I401-I438 HydrophobicContact CD1-CG2 4.1Å; I401-I438 HydrophobicContact CG1-CG1 4.37Å; I401-I438 HydrophobicContact CG1-CG2 4.07Å; I401-I438 HydrophobicContact CG2-CG1 4.22Å; I401-L439 HydrophobicContact CB-CD2 4.48Å; I401-L439 HydrophobicContact CG1-CD2 3.84Å; I401-L439 HydrophobicContact CG1-CG 4.26Å
402W97.8Very high97.3Very high17 Ų1731.7 Ų31.76%0.06416%0.157CC..Iπ-helixtrans-54.7-58.7177.6175.8-107.6000111.5L277 Y280 F281 D284 V287 A398 C399 Q404 R405 F406 L407 P410L277-W402 HydrophobicContact CD1-CB 4.1Å; Y280-W402 HydrophobicContact CD1-CB 4.45Å; Y280-W402 AromaticContact CD1-CD1 3.98Å; Y280-W402 HydrophobicContact CD1-CG 4.12Å; Y280-W402 HydrophobicContact CD2-CB 4.36Å; Y280-W402 HydrophobicContact CG-CB 4.06Å; Y280-W402 HydrophobicContact CG-CD2 4.44Å; Y280-W402 HydrophobicContact CG-CG 4.01Å; F281-W402 HydrophobicContact CD1-CH2 4.41Å; F281-W402 AromaticContact CD1-CZ3 3.7Å; F281-W402 HydrophobicContact CD1-CZ3 3.7Å; F281-W402 HydrophobicContact CD2-CZ3 4.31Å; F281-W402 AromaticContact CE1-CZ3 3.75Å; F281-W402 HydrophobicContact CE1-CZ3 3.75Å; F281-W402 HydrophobicContact CE2-CZ3 4.36Å; F281-W402 AromaticContact CG-CZ3 3.99Å; F281-W402 HydrophobicContact CG-CZ3 3.99Å; F281-W402 HydrophobicContact CZ-CZ3 4.09Å; D284-W402 HydrophobicContact CB-CH2 3.59Å; D284-W402 HydrophobicContact CB-CZ2 3.57Å; V287-W402 HydrophobicContact CG2-CH2 4.4Å; A398-W402 WeakPolarHBondContact O-CB 3.38Å; A398-W402 PolarHBondContact O-N 2.85Å; C399-W402 PolarHBondContact O-N 2.79Å; W402-Q404 VanDerWaalsContact C-N 3.28Å; W402-Q404 PolarHBondContact O-N 2.93Å; W402-R405 PolarHBondContact O-N 2.84Å; W402-F406 HydrophobicContact CD2-CB 4.27Å; W402-F406 HydrophobicContact CE3-CB 3.52Å; W402-F406 HydrophobicContact CE3-CG 4.44Å; W402-F406 HydrophobicContact CH2-CB 4.49Å; W402-F406 HydrophobicContact CZ3-CB 3.66Å; W402-F406 CarbonylContact O-C 3.02Å; W402-F406 PolarHBondContact O-N 2.91Å; W402-L407 HydrophobicContact CZ2-CD1 4.4Å; W402-L407 PolarHBondContact O-N 3.08Å; W402-P410 HydrophobicContact CH2-CB 4.03Å; W402-P410 HydrophobicContact CH2-CG 4.13Å; W402-P410 HydrophobicContact CZ3-CB 4.42Å
403Q96Very high97.3Very high58 Ų5834.9 Ų34.927%0.27117%0.169SC..Iπ-helixtrans-57.9-39.1-176.4-73.9178.35.900112.8C399C399-Q403 WeakPolarHBondContact O-CB 3.3Å; C399-Q403 VanDerWaalsContact O-CG 3.26Å; C399-Q403 WeakPolarHBondContact O-CG 3.4Å; C399-Q403 PolarHBondContact O-N 2.99Å; C399-Q403 PolarHBondContact SG-NE2 2.94Å
404Q96.5Very high97.3Very high75 Ų7541.8 Ų41.835%0.3520%0.199SC..Iπ-helixtrans-93.2-18.1-172.5-61.3-17327.400114.5L400 I401 W402L400-Q404 WeakPolarHBondContact O-CB 3.18Å; L400-Q404 VanDerWaalsContact O-CG 3.26Å; L400-Q404 WeakPolarHBondContact O-CG 3.19Å; L400-Q404 PolarHBondContact O-N 2.94Å; L400-Q404 VanDerWaalsContact O-N 3.08Å; I401-Q404 PolarHBondContact O-N 3.14Å; W402-Q404 VanDerWaalsContact C-N 3.28Å; W402-Q404 PolarHBondContact O-N 2.93Å
405R97.8Very high97.3Very high42 Ų4244.6 Ų44.616%0.15821%0.209CC..Iπ-helixtrans-123-34-170.9-54.3-59.6-178.7-110.71.6114I401 W402 W415 I438 L439I401-R405 WeakPolarHBondContact O-CB 3.12Å; I401-R405 WeakPolarHBondContact O-CG 3.46Å; I401-R405 PolarHBondContact O-N 3.5Å; W402-R405 PolarHBondContact O-N 2.84Å; R405-W415 HydrophobicContact CB-CB 4.19Å; R405-W415 HydrophobicContact CB-CD2 4.1Å; R405-W415 HydrophobicContact CB-CG 3.91Å; R405-W415 VanDerWaalsContact CD-CD2 3.49Å; R405-W415 VanDerWaalsContact CD-CH2 3.47Å; R405-W415 VanDerWaalsContact CD-CZ2 3.4Å; R405-W415 HydrophobicContact CG-CD2 4.21Å; R405-W415 HydrophobicContact CG-CE3 4.26Å; R405-W415 VanDerWaalsContact NE-CH2 3.27Å; R405-I438 HydrophobicContact CG-CD1 4.29Å; R405-I438 HydrophobicContact CG-CG1 4.36Å; R405-I438 VanDerWaalsContact CZ-O 3.26Å; R405-I438 PolarHBondContact NE-O 2.79Å; R405-I438 PolarHBondContact NH2-O 3.2Å; R405-L439 PolarHBondContact NH2-O 3.48Å
406F98Very high97.3Very high1 Ų142.7 Ų42.70%0.00420%0.202CC..Iπ-helixtrans-119.2-24.8-169.6-64.2-70.4000113.8L142 L277 F281 I401 W402 N408 D409 P410 W415L142-F406 HydrophobicContact CD2-CE1 4.11Å; L277-F406 HydrophobicContact CD1-CD2 4.43Å; L277-F406 HydrophobicContact CD2-CE2 4.15Å; F281-F406 HydrophobicContact CE1-CD1 4.29Å; F281-F406 HydrophobicContact CE1-CG 4.46Å; F281-F406 HydrophobicContact CE2-CD2 4.4Å; F281-F406 HydrophobicContact CE2-CG 4.39Å; F281-F406 HydrophobicContact CZ-CB 4.15Å; F281-F406 AromaticContact CZ-CD1 3.61Å; F281-F406 HydrophobicContact CZ-CD1 3.61Å; F281-F406 HydrophobicContact CZ-CD2 4.12Å; F281-F406 AromaticContact CZ-CE1 3.93Å; F281-F406 HydrophobicContact CZ-CE1 3.93Å; F281-F406 HydrophobicContact CZ-CE2 4.42Å; F281-F406 AromaticContact CZ-CG 3.69Å; F281-F406 HydrophobicContact CZ-CG 3.69Å; F281-F406 HydrophobicContact CZ-CZ 4.33Å; I401-F406 HydrophobicContact CG2-CD2 4.01Å; I401-F406 HydrophobicContact CG2-CE2 3.77Å; W402-F406 HydrophobicContact CD2-CB 4.27Å; W402-F406 HydrophobicContact CE3-CB 3.52Å; W402-F406 HydrophobicContact CE3-CG 4.44Å; W402-F406 HydrophobicContact CH2-CB 4.49Å; W402-F406 HydrophobicContact CZ3-CB 3.66Å; W402-F406 CarbonylContact O-C 3.02Å; W402-F406 PolarHBondContact O-N 2.91Å; F406-N408 VanDerWaalsContact C-N 3.29Å; F406-N408 PolarHBondContact O-N 3.47Å; F406-N408 VanDerWaalsContact O-N 3.11Å; F406-D409 CarbonylContact O-C 3.52Å; F406-D409 PolarHBondContact O-N 3.4Å; F406-P410 WeakPolarHBondContact CD1-O 3.4Å; F406-P410 WeakPolarHBondContact O-CA 3.35Å; F406-P410 VanDerWaalsContact O-CD 3.28Å; F406-P410 WeakPolarHBondContact O-CD 3.32Å; F406-P410 WeakPolarHBondContact O-CG 3.42Å; F406-W415 HydrophobicContact CD1-CB 4.33Å; F406-W415 HydrophobicContact CE1-CB 3.59Å; F406-W415 HydrophobicContact CE2-CB 4.4Å; F406-W415 HydrophobicContact CZ-CB 3.64Å
407L95.1Very high97.3Very high84 Ų8446.2 Ų46.244%0.4422%0.221SC..THydrogen-bonded Turntrans-52.9-41.2-175-177.768.1000114.4W402W402-L407 HydrophobicContact CZ2-CD1 4.4Å; W402-L407 PolarHBondContact O-N 3.08Å
408N95.3Very high97.3Very high159 Ų15947.2 Ų47.285%0.8523%0.228SC*.THydrogen-bonded Turntrans-89.5-19.4-179-64.4-44.9000113.8F406F406-N408 VanDerWaalsContact C-N 3.29Å; F406-N408 PolarHBondContact O-N 3.47Å; F406-N408 VanDerWaalsContact O-N 3.11Å
409D96.9Very high97.3Very high82 Ų8247.3 Ų47.344%0.43923%0.228SC..  trans-148.579.3179.9177.520.6000108.1F406 F411 S412F406-D409 CarbonylContact O-C 3.52Å; F406-D409 PolarHBondContact O-N 3.4Å; D409-F411 PolarHBondContact O-N 3.44Å; D409-S412 VanDerWaalsContact O-CB 3.27Å; D409-S412 WeakPolarHBondContact O-CB 3.36Å; D409-S412 PolarHBondContact O-N 2.58Å; D409-S412 VanDerWaalsContact O-N 3.1Å; D409-S412 PolarHBondContact OD1-N 3.15Å; D409-S412 WeakPolarHBondContact OD2-CA 3.46Å; D409-S412 WeakPolarHBondContact OD2-CB 3.46Å; D409-S412 PolarHBondContact OD2-OG 3.16Å
410P96.1Very high97.4Very high22 Ų2248 Ų4814%0.14324%0.235CC..THydrogen-bonded Turntrans-60.2-34.7-173.3-2836.1000112L142 F281 V287 W402 F406 S412L142-P410 WeakPolarHBondContact CD2-O 3.44Å; F281-P410 HydrophobicContact CE1-CB 4.28Å; F281-P410 WeakPolarHBondContact CE1-O 3.15Å; V287-P410 HydrophobicContact CG2-CB 3.32Å; V287-P410 HydrophobicContact CG2-CG 3.91Å; W402-P410 HydrophobicContact CH2-CB 4.03Å; W402-P410 HydrophobicContact CH2-CG 4.13Å; W402-P410 HydrophobicContact CZ3-CB 4.42Å; F406-P410 WeakPolarHBondContact CD1-O 3.4Å; F406-P410 WeakPolarHBondContact O-CA 3.35Å; F406-P410 VanDerWaalsContact O-CD 3.28Å; F406-P410 WeakPolarHBondContact O-CD 3.32Å; F406-P410 WeakPolarHBondContact O-CG 3.42Å; P410-S412 VanDerWaalsContact C-N 3.25Å; P410-S412 PolarHBondContact O-N 3.45Å
411F96.6Very high97.3Very high49 Ų4952.1 Ų52.122%0.21525%0.253CS..THydrogen-bonded Turntrans-89.722.9-179.1-57.4-69.5000113.6L138 R141 V287 D290 I291 D409 R413L138-F411 HydrophobicContact CD1-CD1 4.1Å; L138-F411 HydrophobicContact CD1-CE1 3.76Å; R141-F411 HydrophobicContact CB-CD1 4.18Å; V287-F411 HydrophobicContact CB-CZ 4.34Å; V287-F411 HydrophobicContact CG1-CE1 4.37Å; V287-F411 HydrophobicContact CG1-CZ 4.14Å; V287-F411 HydrophobicContact CG2-CE2 4.41Å; V287-F411 HydrophobicContact CG2-CZ 4.1Å; D290-F411 HydrophobicContact CB-CE2 4.22Å; D290-F411 HydrophobicContact CB-CZ 4.13Å; I291-F411 HydrophobicContact CG2-CE1 3.86Å; I291-F411 HydrophobicContact CG2-CZ 3.79Å; D409-F411 PolarHBondContact O-N 3.44Å; F411-R413 PolarHBondContact O-N 3.22Å
412S97.9Very high97.3Very high13 Ų1352.1 Ų52.19%0.09125%0.253CS..  trans-63101.2-178-157.30000112.3D409 P410 K414 W415 G416D409-S412 VanDerWaalsContact O-CB 3.27Å; D409-S412 WeakPolarHBondContact O-CB 3.36Å; D409-S412 PolarHBondContact O-N 2.58Å; D409-S412 VanDerWaalsContact O-N 3.1Å; D409-S412 PolarHBondContact OD1-N 3.15Å; D409-S412 WeakPolarHBondContact OD2-CA 3.46Å; D409-S412 WeakPolarHBondContact OD2-CB 3.46Å; D409-S412 PolarHBondContact OD2-OG 3.16Å; P410-S412 VanDerWaalsContact C-N 3.25Å; P410-S412 PolarHBondContact O-N 3.45Å; S412-K414 PolarHBondContact O-N 3.22Å; S412-W415 PolarHBondContact O-N 2.95Å; S412-W415 VanDerWaalsContact O-N 3.09Å; S412-G416 PolarHBondContact O-N 3.11Å
413R96.8Very high97.3Very high76 Ų7651.3 Ų51.329%0.28725%0.25SS..Hα-helixtrans-57.9-37.2179.6-17759.3-175.3-91.2-6.5112.6R141 L142 E171 F411 W415 G416 D417R141-R413 VanDerWaalsContact O-CD 3.31Å; R141-R413 WeakPolarHBondContact O-CD 3.3Å; L142-R413 WeakPolarHBondContact O-CD 3.26Å; E171-R413 VanDerWaalsContact CD-NH1 3.35Å; E171-R413 VanDerWaalsContact CD-NH2 3.34Å; E171-R413 IonicContact OE1-CZ 3.58Å; E171-R413 IonicContact OE1-NH1 3.51Å; E171-R413 PolarHBondContact OE1-NH1 3.08Å; E171-R413 IonicContact OE1-NH2 2.79Å; E171-R413 IonicContact OE2-CZ 3.64Å; E171-R413 IonicContact OE2-NH1 2.69Å; E171-R413 IonicContact OE2-NH2 3.71Å; E171-R413 PolarHBondContact OE2-NH2 3.27Å; F411-R413 PolarHBondContact O-N 3.22Å; R413-W415 VanDerWaalsContact C-N 3.32Å; R413-W415 PolarHBondContact O-N 3.16Å; R413-G416 PolarHBondContact O-N 3.39Å; R413-D417 IonicContact CZ-OD1 2.77Å; R413-D417 IonicContact NE-OD1 3.64Å; R413-D417 PolarHBondContact NE-OD1 3.31Å; R413-D417 IonicContact NE-OD2 3.95Å; R413-D417 IonicContact NH2-OD1 3.62Å; R413-D417 PolarHBondContact NH2-OD1 3.46Å; R413-D417 PolarHBondContact O-N 2.88Å
414K97.9Very high97.3Very high145 Ų14550.5 Ų50.563%0.6325%0.251SS*.Hα-helixtrans-54.3-47.5175.5175.1-172.4170.2-173.50112S412 C418S412-K414 PolarHBondContact O-N 3.22Å; K414-C418 PolarHBondContact O-N 2.94Å; K414-C418 VanDerWaalsContact O-N 3.16Å
415W98.4Very high97.3Very high59 Ų5949 Ų4922%0.22324%0.244CC..Hα-helixtrans-79.9-29.7-178.8-66.9125.3000112.2R405 F406 S412 R413 C418 W419 I438R405-W415 HydrophobicContact CB-CB 4.19Å; R405-W415 HydrophobicContact CB-CD2 4.1Å; R405-W415 HydrophobicContact CB-CG 3.91Å; R405-W415 VanDerWaalsContact CD-CD2 3.49Å; R405-W415 VanDerWaalsContact CD-CH2 3.47Å; R405-W415 VanDerWaalsContact CD-CZ2 3.4Å; R405-W415 HydrophobicContact CG-CD2 4.21Å; R405-W415 HydrophobicContact CG-CE3 4.26Å; R405-W415 VanDerWaalsContact NE-CH2 3.27Å; F406-W415 HydrophobicContact CD1-CB 4.33Å; F406-W415 HydrophobicContact CE1-CB 3.59Å; F406-W415 HydrophobicContact CE2-CB 4.4Å; F406-W415 HydrophobicContact CZ-CB 3.64Å; S412-W415 PolarHBondContact O-N 2.95Å; S412-W415 VanDerWaalsContact O-N 3.09Å; R413-W415 VanDerWaalsContact C-N 3.32Å; R413-W415 PolarHBondContact O-N 3.16Å; W415-C418 HydrophobicContact CE3-CB 4.13Å; W415-C418 PolarHBondContact O-N 3.08Å; W415-W419 VanDerWaalsContact O-CB 3.31Å; W415-W419 WeakPolarHBondContact O-CB 3.43Å; W415-W419 PolarHBondContact O-N 3.3Å; W415-I438 HydrophobicContact CE3-CD1 3.8Å; W415-I438 HydrophobicContact CZ3-CD1 4.23Å
416G98.3Very high97.2Very high0 Ų047 Ų470%024%0.236CC..Hα-helixtrans-60.3-46.2168.600000112.9L142 S412 R413 W419 A420L142-G416 CarbonylContact O-C 3.54Å; L142-G416 WeakPolarHBondContact O-CA 3.47Å; S412-G416 PolarHBondContact O-N 3.11Å; R413-G416 PolarHBondContact O-N 3.39Å; G416-W419 PolarHBondContact O-N 3.46Å; G416-A420 WeakPolarHBondContact O-CB 3.31Å; G416-A420 PolarHBondContact O-N 3.07Å
417D98.1Very high97Very high74 Ų7447.9 Ų47.940%0.39625%0.245SC..Hα-helixtrans-63.6-42.9174.8-69.7-27000111.5R413 W419 A420 E421R413-D417 IonicContact CZ-OD1 2.77Å; R413-D417 IonicContact NE-OD1 3.64Å; R413-D417 PolarHBondContact NE-OD1 3.31Å; R413-D417 IonicContact NE-OD2 3.95Å; R413-D417 IonicContact NH2-OD1 3.62Å; R413-D417 PolarHBondContact NH2-OD1 3.46Å; R413-D417 PolarHBondContact O-N 2.88Å; D417-W419 VanDerWaalsContact C-N 3.33Å; D417-W419 PolarHBondContact O-N 3.44Å; D417-A420 PolarHBondContact O-N 3.5Å; D417-E421 WeakPolarHBondContact O-CB 3.46Å; D417-E421 PolarHBondContact O-N 2.87Å
418C98.4Very high97Very high21 Ų2145.9 Ų45.914%0.14225%0.245CC..Hα-helixtrans-61.1-42.3174.9-174.50000111.6K414 W415 E421 V422 I438K414-C418 PolarHBondContact O-N 2.94Å; K414-C418 VanDerWaalsContact O-N 3.16Å; W415-C418 HydrophobicContact CE3-CB 4.13Å; W415-C418 PolarHBondContact O-N 3.08Å; C418-E421 WeakPolarHBondContact O-CB 3.45Å; C418-E421 PolarHBondContact O-N 3.19Å; C418-V422 WeakPolarHBondContact O-CG2 3.49Å; C418-V422 PolarHBondContact O-N 3.5Å; C418-I438 HydrophobicContact CB-CD1 4Å; C418-I438 VanDerWaalsContact SG-CD1 3.57Å
419W98.2Very high97Very high1 Ų142.8 Ų42.80%0.00423%0.225CC..Hα-helixtrans-70.1-36.4177.9-174.3-128.2000112.7I273 P274 L277 I401 W415 G416 D417 E421 V422 Q423 I438I273-W419 HydrophobicContact CB-CH2 4.25Å; I273-W419 HydrophobicContact CG2-CH2 3.57Å; I273-W419 HydrophobicContact CG2-CZ2 3.92Å; P274-W419 HydrophobicContact CB-CZ2 4.15Å; P274-W419 HydrophobicContact CG-CH2 4.44Å; P274-W419 HydrophobicContact CG-CZ2 3.73Å; L277-W419 HydrophobicContact CD2-CD2 4.27Å; L277-W419 HydrophobicContact CD2-CG 4.27Å; L277-W419 HydrophobicContact CD2-CZ2 4.33Å; I401-W419 HydrophobicContact CD1-CE3 4.26Å; I401-W419 HydrophobicContact CD1-CH2 3.81Å; I401-W419 HydrophobicContact CD1-CZ2 4.47Å; I401-W419 HydrophobicContact CD1-CZ3 3.68Å; W415-W419 VanDerWaalsContact O-CB 3.31Å; W415-W419 WeakPolarHBondContact O-CB 3.43Å; W415-W419 PolarHBondContact O-N 3.3Å; G416-W419 PolarHBondContact O-N 3.46Å; D417-W419 VanDerWaalsContact C-N 3.33Å; D417-W419 PolarHBondContact O-N 3.44Å; W419-E421 VanDerWaalsContact C-N 3.32Å; W419-V422 HydrophobicContact CE3-CB 3.82Å; W419-V422 HydrophobicContact CE3-CG1 3.88Å; W419-V422 HydrophobicContact CE3-CG2 4.36Å; W419-V422 HydrophobicContact CH2-CG1 4.37Å; W419-V422 HydrophobicContact CZ3-CB 4.02Å; W419-V422 HydrophobicContact CZ3-CG1 3.53Å; W419-V422 PolarHBondContact O-N 3.02Å; W419-Q423 HydrophobicContact CD2-CG 4.44Å; W419-Q423 HydrophobicContact CZ2-CG 4.31Å; W419-Q423 WeakPolarHBondContact O-CG 3.28Å; W419-Q423 PolarHBondContact O-N 2.86Å; W419-Q423 PolarHBondContact O-NE2 2.93Å; W419-I438 HydrophobicContact CE3-CB 4.44Å; W419-I438 HydrophobicContact CE3-CG1 4.28Å; W419-I438 HydrophobicContact CE3-CG2 4.29Å; W419-I438 HydrophobicContact CZ3-CG2 4.15Å
420A97.9Very high96.9Very high18 Ų1841.1 Ų41.115%0.14922%0.215CC..Hα-helixtrans-63.1-39.4171.100000111.5Y143 L253 G416 D417 Q423 S424Y143-A420 HydrophobicContact CD1-CB 3.93Å; Y143-A420 HydrophobicContact CE1-CB 4.44Å; L253-A420 HydrophobicContact CD1-CB 4.12Å; L253-A420 HydrophobicContact CD2-CB 4.42Å; G416-A420 WeakPolarHBondContact O-CB 3.31Å; G416-A420 PolarHBondContact O-N 3.07Å; D417-A420 PolarHBondContact O-N 3.5Å; A420-Q423 PolarHBondContact O-N 2.9Å; A420-S424 WeakPolarHBondContact O-CB 3.39Å; A420-S424 PolarHBondContact O-N 3.02Å
421E97.5Very high96.9Very high98 Ų9840.2 Ų40.246%0.45821%0.209SC..Hα-helixtrans-63.4-43.2174-165.9-171174.500111.4D417 C418 W419 S424 H425 K437D417-E421 WeakPolarHBondContact O-CB 3.46Å; D417-E421 PolarHBondContact O-N 2.87Å; C418-E421 WeakPolarHBondContact O-CB 3.45Å; C418-E421 PolarHBondContact O-N 3.19Å; W419-E421 VanDerWaalsContact C-N 3.32Å; E421-S424 WeakPolarHBondContact O-CB 3.39Å; E421-S424 PolarHBondContact O-N 2.9Å; E421-S424 PolarHBondContact O-OG 3.1Å; E421-H425 PolarHBondContact O-CD2 2.86Å; E421-K437 VanDerWaalsContact OE1-CE 3.3Å; E421-K437 WeakPolarHBondContact OE1-CE 3.4Å; E421-K437 IonicContact OE1-NZ 2.66Å; E421-K437 PolarHBondContact OE1-NZ 3.49Å; E421-K437 WeakPolarHBondContact OE2-CE 3.42Å; E421-K437 IonicContact OE2-NZ 3.91Å; E421-K437 PolarHBondContact OE2-NZ 3.44Å
422V97.9Very high96.8Very high0 Ų038.5 Ų38.50%020%0.203CC..Hα-helixtrans-59.7-48.2174.4172.20000111.2F270 C418 W419 S424 H425 L434 K437 I438F270-V422 HydrophobicContact CE2-CG1 4.15Å; F270-V422 HydrophobicContact CZ-CG1 3.91Å; C418-V422 WeakPolarHBondContact O-CG2 3.49Å; C418-V422 PolarHBondContact O-N 3.5Å; W419-V422 HydrophobicContact CE3-CB 3.82Å; W419-V422 HydrophobicContact CE3-CG1 3.88Å; W419-V422 HydrophobicContact CE3-CG2 4.36Å; W419-V422 HydrophobicContact CH2-CG1 4.37Å; W419-V422 HydrophobicContact CZ3-CB 4.02Å; W419-V422 HydrophobicContact CZ3-CG1 3.53Å; W419-V422 PolarHBondContact O-N 3.02Å; V422-S424 VanDerWaalsContact C-N 3.27Å; V422-S424 PolarHBondContact O-N 2.83Å; V422-H425 PolarHBondContact O-N 3.12Å; V422-L434 HydrophobicContact CG1-CB 3.85Å; V422-L434 HydrophobicContact CG1-CD2 4.33Å; V422-K437 HydrophobicContact CG2-CB 4.14Å; V422-K437 HydrophobicContact CG2-CD 4Å; V422-K437 HydrophobicContact CG2-CG 4.06Å; V422-I438 HydrophobicContact CG2-CB 4.12Å; V422-I438 HydrophobicContact CG2-CG2 4.48Å
423Q97.4Very high96.7Very high1 Ų140.8 Ų40.81%0.00522%0.217CC..Hα-helixtrans-62.8-31.9176.7-7417878.500112.6L253 G254 P274 W419 A420 H425 G426L253-Q423 HydrophobicContact CB-CB 4.15Å; G254-Q423 WeakPolarHBondContact CA-O 3.44Å; P274-Q423 HydrophobicContact CG-CG 4.19Å; W419-Q423 HydrophobicContact CD2-CG 4.44Å; W419-Q423 HydrophobicContact CZ2-CG 4.31Å; W419-Q423 WeakPolarHBondContact O-CG 3.28Å; W419-Q423 PolarHBondContact O-N 2.86Å; W419-Q423 PolarHBondContact O-NE2 2.93Å; A420-Q423 PolarHBondContact O-N 2.9Å; Q423-H425 PolarHBondContact O-N 3.33Å; Q423-G426 PolarHBondContact O-N 2.94Å
424S96.6Very high96.6Very high40 Ų4037.2 Ų37.228%0.2820%0.204SC..Hα-helixtrans-58.3-24.5-178.380.60000113.9L253 R255 A420 E421 V422 G426L253-S424 WeakPolarHBondContact O-CA 3.37Å; R255-S424 PolarHBondContact N-O 3.32Å; A420-S424 WeakPolarHBondContact O-CB 3.39Å; A420-S424 PolarHBondContact O-N 3.02Å; E421-S424 WeakPolarHBondContact O-CB 3.39Å; E421-S424 PolarHBondContact O-N 2.9Å; E421-S424 PolarHBondContact O-OG 3.1Å; V422-S424 VanDerWaalsContact C-N 3.27Å; V422-S424 PolarHBondContact O-N 2.83Å; S424-G426 VanDerWaalsContact C-N 3.33Å
425H96.4Very high96.6Very high45 Ų4530.3 Ų30.321%0.20817%0.174CC..THydrogen-bonded Turntrans-77.1-16178.2-68.5-67.5000113.9T256 E421 V422 Q423 G427 G428 H429 L434 K437T256-H425 WeakPolarHBondContact CG2-O 3.37Å; E421-H425 PolarHBondContact O-CD2 2.86Å; V422-H425 PolarHBondContact O-N 3.12Å; Q423-H425 PolarHBondContact O-N 3.33Å; H425-G427 PolarHBondContact O-N 2.85Å; H425-G428 WeakPolarHBondContact O-CA 3.24Å; H425-G428 PolarHBondContact O-N 3.41Å; H425-H429 AromaticContact CE1-CD2 3.94Å; H425-H429 AromaticContact CE1-NE2 3.75Å; H425-H429 AromaticContact CG-CD2 3.58Å; H425-H429 AromaticContact ND1-CD2 3.18Å; H425-H429 PolarHBondContact ND1-CD2 3.33Å; H425-H429 AromaticContact ND1-NE2 3.33Å; H425-H429 PolarHBondContact ND1-NE2 2.91Å; H425-L434 HydrophobicContact CB-CD1 4.4Å; H425-L434 HydrophobicContact CB-CD2 3.76Å; H425-K437 PolarHBondContact NE2-NZ 2.95Å
426G95Very high96.5Very high0 Ų031.1 Ų31.10%018%0.18CC..THydrogen-bonded Turntrans45.8-127.7-172.400000111.8V261 G263 Q423 S424 G428V261-G426 CarbonylContact O-C 3.6Å; V261-G426 WeakPolarHBondContact O-CA 3.43Å; G263-G426 WeakPolarHBondContact O-CA 3.35Å; Q423-G426 PolarHBondContact O-N 2.94Å; S424-G426 VanDerWaalsContact C-N 3.33Å; G426-G428 VanDerWaalsContact C-N 3.33Å
427G95.2Very high96.5Very high18 Ų1834.9 Ų34.919%0.18620%0.196CC..THydrogen-bonded Turntrans-87.712.5172.600000115.6V261 R265 C266 H425 H429V261-G427 WeakPolarHBondContact CG1-O 3.23Å; V261-G427 PolarHBondContact O-N 3.4Å; R265-G427 WeakPolarHBondContact O-CA 3.5Å; C266-G427 VanDerWaalsContact CB-CA 3.46Å; H425-G427 PolarHBondContact O-N 2.85Å; G427-H429 VanDerWaalsContact C-N 3.26Å; G427-H429 PolarHBondContact O-N 3.31Å
428G94.6Very high96.5Very high43 Ų4331.4 Ų31.444%0.44318%0.178SC..SBendtrans-75.3-13.2-174.100000114.3H425 G426H425-G428 WeakPolarHBondContact O-CA 3.24Å; H425-G428 PolarHBondContact O-N 3.41Å; G426-G428 VanDerWaalsContact C-N 3.33Å
429H94.9Very high96.4Very high93 Ų9330.6 Ų30.643%0.43117%0.172SC..SBendtrans-132157.9177.2-72.2-92.2000110.7H425 G427 L434H425-H429 AromaticContact CE1-CD2 3.94Å; H425-H429 AromaticContact CE1-NE2 3.75Å; H425-H429 AromaticContact CG-CD2 3.58Å; H425-H429 AromaticContact ND1-CD2 3.18Å; H425-H429 PolarHBondContact ND1-CD2 3.33Å; H425-H429 AromaticContact ND1-NE2 3.33Å; H425-H429 PolarHBondContact ND1-NE2 2.91Å; G427-H429 VanDerWaalsContact C-N 3.26Å; G427-H429 PolarHBondContact O-N 3.31Å; H429-L434 HydrophobicContact CB-CD1 4.28Å; H429-L434 HydrophobicContact CB-CD2 3.85Å; H429-L434 HydrophobicContact CB-CG 3.94Å
430H95.1Very high96.4Very high48 Ų4833.5 Ų33.522%0.22220%0.202CC..  trans-64.2136176-162.6-92.5000110.9S44 E47 A432 V433 L434S44-H430 PolarHBondContact O-CE1 3.37Å; E47-H430 IonicContact OE1-CE1 2.99Å; E47-H430 IonicContact OE1-NE2 3.33Å; E47-H430 PolarHBondContact OE1-NE2 3.45Å; H430-A432 WeakPolarHBondContact ND1-CB 3.29Å; H430-A432 PolarHBondContact ND1-N 3.25Å; H430-A432 PolarHBondContact O-N 3.36Å; H430-A432 VanDerWaalsContact O-N 3.14Å; H430-V433 HydrophobicContact CB-CG2 4.27Å; H430-V433 WeakPolarHBondContact O-CB 3.45Å; H430-V433 PolarHBondContact O-N 3.17Å; H430-L434 PolarHBondContact O-N 3.19Å
431P94.9Very high96.3Very high3 Ų335.8 Ų35.82%0.01921%0.209CC..Hα-helixtrans-50.2-40.3179.7-32.137.3000114.3L45 P267 F270 V433 L434 L435L45-P431 HydrophobicContact CB-CB 4.36Å; L45-P431 HydrophobicContact CD1-CB 4.01Å; P267-P431 HydrophobicContact CB-CG 3.93Å; P267-P431 HydrophobicContact CG-CG 3.67Å; F270-P431 HydrophobicContact CB-CB 3.97Å; F270-P431 HydrophobicContact CB-CG 3.9Å; F270-P431 HydrophobicContact CD2-CB 4.27Å; F270-P431 HydrophobicContact CG-CB 4.33Å; F270-P431 HydrophobicContact CG-CG 4.46Å; P431-V433 VanDerWaalsContact C-N 3.3Å; P431-V433 PolarHBondContact O-N 2.97Å; P431-L434 WeakPolarHBondContact O-CB 3.4Å; P431-L434 PolarHBondContact O-N 3.49Å; P431-L434 VanDerWaalsContact O-N 3.17Å; P431-L435 PolarHBondContact O-N 3.13Å
432A94.5Very high96.2Very high12 Ų1237.8 Ų37.810%0.09921%0.212CC..Hα-helixtrans-60.6-36.5178.700000113.2L45 H430 E436L45-A432 HydrophobicContact CD1-CB 3.95Å; H430-A432 WeakPolarHBondContact ND1-CB 3.29Å; H430-A432 PolarHBondContact ND1-N 3.25Å; H430-A432 PolarHBondContact O-N 3.36Å; H430-A432 VanDerWaalsContact O-N 3.14Å; A432-E436 VanDerWaalsContact O-CB 3.28Å; A432-E436 WeakPolarHBondContact O-CB 3.49Å; A432-E436 PolarHBondContact O-N 2.8Å
433V95.8Very high96.1Very high61 Ų6138.5 Ų38.537%0.3722%0.216SC..Hα-helixtrans-71.2-39.6177.4175.70000110.5H430 P431 E436 K437H430-V433 HydrophobicContact CB-CG2 4.27Å; H430-V433 WeakPolarHBondContact O-CB 3.45Å; H430-V433 PolarHBondContact O-N 3.17Å; P431-V433 VanDerWaalsContact C-N 3.3Å; P431-V433 PolarHBondContact O-N 2.97Å; V433-E436 PolarHBondContact O-N 3.37Å; V433-K437 PolarHBondContact O-N 3.41Å; V433-K437 VanDerWaalsContact O-N 3.09Å
434L96.5Very high96Very high2 Ų241.3 Ų41.31%0.0123%0.234CC..Hα-helixtrans-66.3-41.4177.5-68-177.3000111.7F270 V422 H425 H429 H430 P431 K437F270-L434 HydrophobicContact CD1-CD1 4.26Å; F270-L434 HydrophobicContact CD2-CD1 4.48Å; F270-L434 HydrophobicContact CE1-CD1 3.63Å; F270-L434 HydrophobicContact CE2-CB 3.79Å; F270-L434 HydrophobicContact CE2-CD1 3.88Å; F270-L434 HydrophobicContact CE2-CG 4.5Å; F270-L434 HydrophobicContact CZ-CB 4.06Å; F270-L434 HydrophobicContact CZ-CD1 3.42Å; F270-L434 VanDerWaalsContact CZ-CD1 3.42Å; F270-L434 HydrophobicContact CZ-CG 4.35Å; V422-L434 HydrophobicContact CG1-CB 3.85Å; V422-L434 HydrophobicContact CG1-CD2 4.33Å; H425-L434 HydrophobicContact CB-CD1 4.4Å; H425-L434 HydrophobicContact CB-CD2 3.76Å; H429-L434 HydrophobicContact CB-CD1 4.28Å; H429-L434 HydrophobicContact CB-CD2 3.85Å; H429-L434 HydrophobicContact CB-CG 3.94Å; H430-L434 PolarHBondContact O-N 3.19Å; P431-L434 WeakPolarHBondContact O-CB 3.4Å; P431-L434 PolarHBondContact O-N 3.49Å; P431-L434 VanDerWaalsContact O-N 3.17Å; L434-K437 WeakPolarHBondContact O-CB 3.43Å; L434-K437 PolarHBondContact O-N 3.11Å
435L96.8Very high95.9Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-67.9-41.4173.8-76.9-174.7000112.6L45 I273 I401 P431 K437 I438 L439 P443L45-L435 HydrophobicContact CD1-CD1 3.7Å; L45-L435 HydrophobicContact CD2-CD1 3.57Å; L45-L435 HydrophobicContact CG-CD1 4.3Å; I273-L435 HydrophobicContact CD1-CD1 4.24Å; I273-L435 HydrophobicContact CD1-CD2 3.93Å; I273-L435 HydrophobicContact CD1-CG 4.35Å; I401-L435 HydrophobicContact CD1-CD2 4.02Å; P431-L435 PolarHBondContact O-N 3.13Å; L435-K437 PolarHBondContact O-N 2.99Å; L435-I438 HydrophobicContact CD2-CG2 4.37Å; L435-I438 WeakPolarHBondContact O-CG2 3.31Å; L435-I438 PolarHBondContact O-N 3.02Å; L435-L439 HydrophobicContact CB-CD1 4.38Å; L435-L439 HydrophobicContact CD2-CD1 4.35Å; L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 PolarHBondContact O-N 3.33Å; L435-P443 HydrophobicContact CD1-CG 4.24Å
436E97.3Very high96Very high76 Ų7644.8 Ų44.836%0.35525%0.248SC..Hα-helixtrans-57.8-37175-176.3174.9-165.900111.9A432 V433 I438 G440 F441 R442A432-E436 VanDerWaalsContact O-CB 3.28Å; A432-E436 WeakPolarHBondContact O-CB 3.49Å; A432-E436 PolarHBondContact O-N 2.8Å; V433-E436 PolarHBondContact O-N 3.37Å; E436-I438 PolarHBondContact O-N 2.76Å; E436-G440 WeakPolarHBondContact O-CA 2.99Å; E436-G440 PolarHBondContact O-N 3.16Å; E436-F441 WeakPolarHBondContact CA-O 3.36Å; E436-R442 HydrophobicContact CB-CG 3.93Å; E436-R442 HydrophobicContact CG-CG 4.24Å; E436-R442 IonicContact OE2-CZ 3.49Å; E436-R442 IonicContact OE2-NE 3.57Å; E436-R442 PolarHBondContact OE2-NE 2.92Å; E436-R442 IonicContact OE2-NH2 2.66Å; E436-R442 PolarHBondContact OE2-NH2 2.86Å
437K97.3Very high96.1Very high79 Ų7946.9 Ų46.934%0.34326%0.26SS..Hα-helixtrans-61.3-43.3177.6-175.8169.7-177.1166.20113.2E421 V422 H425 V433 L434 L435E421-K437 VanDerWaalsContact OE1-CE 3.3Å; E421-K437 WeakPolarHBondContact OE1-CE 3.4Å; E421-K437 IonicContact OE1-NZ 2.66Å; E421-K437 PolarHBondContact OE1-NZ 3.49Å; E421-K437 WeakPolarHBondContact OE2-CE 3.42Å; E421-K437 IonicContact OE2-NZ 3.91Å; E421-K437 PolarHBondContact OE2-NZ 3.44Å; V422-K437 HydrophobicContact CG2-CB 4.14Å; V422-K437 HydrophobicContact CG2-CD 4Å; V422-K437 HydrophobicContact CG2-CG 4.06Å; H425-K437 PolarHBondContact NE2-NZ 2.95Å; V433-K437 PolarHBondContact O-N 3.41Å; V433-K437 VanDerWaalsContact O-N 3.09Å; L434-K437 WeakPolarHBondContact O-CB 3.43Å; L434-K437 PolarHBondContact O-N 3.11Å; L435-K437 PolarHBondContact O-N 2.99Å
438I97.9Very high96.2Very high1 Ų146 Ų461%0.00525%0.251CS..Hα-helixtrans-86-40.3-179.4-175.965.4000112.2I401 R405 W415 C418 W419 V422 L435 E436I401-I438 HydrophobicContact CD1-CG2 4.1Å; I401-I438 HydrophobicContact CG1-CG1 4.37Å; I401-I438 HydrophobicContact CG1-CG2 4.07Å; I401-I438 HydrophobicContact CG2-CG1 4.22Å; R405-I438 HydrophobicContact CG-CD1 4.29Å; R405-I438 HydrophobicContact CG-CG1 4.36Å; R405-I438 VanDerWaalsContact CZ-O 3.26Å; R405-I438 PolarHBondContact NE-O 2.79Å; R405-I438 PolarHBondContact NH2-O 3.2Å; W415-I438 HydrophobicContact CE3-CD1 3.8Å; W415-I438 HydrophobicContact CZ3-CD1 4.23Å; C418-I438 HydrophobicContact CB-CD1 4Å; C418-I438 VanDerWaalsContact SG-CD1 3.57Å; W419-I438 HydrophobicContact CE3-CB 4.44Å; W419-I438 HydrophobicContact CE3-CG1 4.28Å; W419-I438 HydrophobicContact CE3-CG2 4.29Å; W419-I438 HydrophobicContact CZ3-CG2 4.15Å; V422-I438 HydrophobicContact CG2-CB 4.12Å; V422-I438 HydrophobicContact CG2-CG2 4.48Å; L435-I438 HydrophobicContact CD2-CG2 4.37Å; L435-I438 WeakPolarHBondContact O-CG2 3.31Å; L435-I438 PolarHBondContact O-N 3.02Å; E436-I438 PolarHBondContact O-N 2.76Å
439L97.6Very high96.3Very high4 Ų444.2 Ų44.22%0.02123%0.231CC..Hα-helixtrans-85.8-20.8-176.4-66175.8000113.8L400 I401 R405 L435 F441 P443L400-L439 HydrophobicContact CB-CD1 4.18Å; L400-L439 HydrophobicContact CB-CD2 3.97Å; L400-L439 HydrophobicContact CD1-CD1 4.38Å; I401-L439 HydrophobicContact CB-CD2 4.48Å; I401-L439 HydrophobicContact CG1-CD2 3.84Å; I401-L439 HydrophobicContact CG1-CG 4.26Å; R405-L439 PolarHBondContact NH2-O 3.48Å; L435-L439 HydrophobicContact CB-CD1 4.38Å; L435-L439 HydrophobicContact CD2-CD1 4.35Å; L435-L439 VanDerWaalsContact O-CB 3.29Å; L435-L439 WeakPolarHBondContact O-CB 3.44Å; L435-L439 PolarHBondContact O-N 3.33Å; L439-F441 HydrophobicContact CB-CD1 3.99Å; L439-F441 HydrophobicContact CB-CE1 3.8Å; L439-F441 HydrophobicContact CB-CZ 4.38Å; L439-F441 HydrophobicContact CD1-CZ 4.43Å; L439-F441 VanDerWaalsContact O-CD1 3.3Å; L439-F441 WeakPolarHBondContact O-CD1 3.36Å; L439-F441 PolarHBondContact O-N 3.38Å; L439-P443 HydrophobicContact CD1-CG 3.38Å
440G97.4Very high96.4Very high62 Ų6243.8 Ų43.864%0.63923%0.23SC*.SBendtrans77.33.4-174.400000114.1E436E436-G440 WeakPolarHBondContact O-CA 2.99Å; E436-G440 PolarHBondContact O-N 3.16Å
441F96.6Very high96.5Very high65 Ų6541.6 Ų41.629%0.28522%0.22SC..SBendtrans-154.6163.1174.568.3-80.2000109.8E436 L439 P443E436-F441 WeakPolarHBondContact CA-O 3.36Å; L439-F441 HydrophobicContact CB-CD1 3.99Å; L439-F441 HydrophobicContact CB-CE1 3.8Å; L439-F441 HydrophobicContact CB-CZ 4.38Å; L439-F441 HydrophobicContact CD1-CZ 4.43Å; L439-F441 VanDerWaalsContact O-CD1 3.3Å; L439-F441 WeakPolarHBondContact O-CD1 3.36Å; L439-F441 PolarHBondContact O-N 3.38Å; F441-P443 HydrophobicContact CE2-CB 4.28Å; F441-P443 HydrophobicContact CE2-CG 4.11Å; F441-P443 WeakPolarHBondContact O-CD 3.36Å
442R95.1Very high96.5Very high141 Ų14141.5 Ų41.553%0.53222%0.219SC..PPolyproline II helixtrans-88116.8172.1-66.8-177.4-174-177.95.1109.8E436 T444E436-R442 HydrophobicContact CB-CG 3.93Å; E436-R442 HydrophobicContact CG-CG 4.24Å; E436-R442 IonicContact OE2-CZ 3.49Å; E436-R442 IonicContact OE2-NE 3.57Å; E436-R442 PolarHBondContact OE2-NE 2.92Å; E436-R442 IonicContact OE2-NH2 2.66Å; E436-R442 PolarHBondContact OE2-NH2 2.86Å; R442-T444 PolarHBondContact O-N 3.39Å
443P95.2Very high96.5Very high14 Ų1441.3 Ų41.39%0.09122%0.217CC..PPolyproline II helixtrans-62.7134.4177.1-23.535.8000111.7L400 L435 L439 F441 D447 L448L400-P443 HydrophobicContact CD1-CB 3.97Å; L400-P443 HydrophobicContact CD1-CG 4.04Å; L435-P443 HydrophobicContact CD1-CG 4.24Å; L439-P443 HydrophobicContact CD1-CG 3.38Å; F441-P443 HydrophobicContact CE2-CB 4.28Å; F441-P443 HydrophobicContact CE2-CG 4.11Å; F441-P443 WeakPolarHBondContact O-CD 3.36Å; P443-D447 HydrophobicContact CB-CB 4.37Å; P443-L448 HydrophobicContact CB-CD2 3.93Å; P443-L448 HydrophobicContact CB-CG 4.09Å
444T95.3Very high96.2Very high61 Ų6143 Ų4337%0.37422%0.219SC..PPolyproline II helixtrans-88.4167.3168.765.60000110.7R442 N446 D447 L448R442-T444 PolarHBondContact O-N 3.39Å; T444-N446 PolarHBondContact O-N 3.46Å; T444-N446 PolarHBondContact OG1-N 3.21Å; T444-D447 WeakPolarHBondContact CB-OD2 3.27Å; T444-D447 PolarHBondContact N-OD2 3.32Å; T444-D447 PolarHBondContact O-N 3.14Å; T444-D447 VanDerWaalsContact O-N 3.1Å; T444-D447 VanDerWaalsContact OG1-CG 3.27Å; T444-D447 PolarHBondContact OG1-N 2.78Å; T444-D447 PolarHBondContact OG1-OD2 3.35Å; T444-L448 WeakPolarHBondContact O-CG 3.15Å; T444-L448 PolarHBondContact O-N 2.8Å
445E95.6Very high95.6Very high73 Ų7343.5 Ų43.534%0.34122%0.222SC..Hα-helixtrans-54.4-34169.866.6-81.1-163.800112T51 F55 T449T51-E445 HydrophobicContact CG2-CB 4.27Å; T51-E445 HydrophobicContact CG2-CG 4.42Å; F55-E445 HydrophobicContact CB-CB 3.91Å; F55-E445 HydrophobicContact CD2-CB 4.49Å; E445-T449 WeakPolarHBondContact O-CB 3.45Å; E445-T449 WeakPolarHBondContact O-CG2 3.41Å; E445-T449 PolarHBondContact O-N 3.23Å; E445-T449 PolarHBondContact O-OG1 2.88Å
446N96.6Very high94.9Very high84 Ų8443.5 Ų43.545%0.44922%0.222SC..Hα-helixtrans-69.6-39.8177.5-178.261.6000112.4K62 T444 T449 Q450K62-N446 PolarHBondContact NZ-O 2.73Å; K62-N446 PolarHBondContact NZ-OD1 2.97Å; T444-N446 PolarHBondContact O-N 3.46Å; T444-N446 PolarHBondContact OG1-N 3.21Å; N446-T449 WeakPolarHBondContact CA-OG1 3.18Å; N446-T449 PolarHBondContact O-OG1 3.42Å; N446-Q450 VanDerWaalsContact O-CB 3.32Å; N446-Q450 WeakPolarHBondContact O-CB 3.42Å; N446-Q450 PolarHBondContact O-N 3.03Å
447D97.3Very high94.2Very high44 Ų4445.1 Ų45.124%0.23523%0.229CC..Hα-helixtrans-64.6-44.6176.2-59.2-54.3000110.7L400 P443 T444 Q450 A451L400-D447 HydrophobicContact CD1-CB 4.48Å; P443-D447 HydrophobicContact CB-CB 4.37Å; T444-D447 WeakPolarHBondContact CB-OD2 3.27Å; T444-D447 PolarHBondContact N-OD2 3.32Å; T444-D447 PolarHBondContact O-N 3.14Å; T444-D447 VanDerWaalsContact O-N 3.1Å; T444-D447 VanDerWaalsContact OG1-CG 3.27Å; T444-D447 PolarHBondContact OG1-N 2.78Å; T444-D447 PolarHBondContact OG1-OD2 3.35Å; D447-Q450 PolarHBondContact O-N 3.13Å; D447-A451 PolarHBondContact O-N 3.02Å
448L97.8Very high92.7Very high0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-65.1-45.4179.5-63.4171.3000111.7L45 L46 F55 V393 A396 S397 L400 P443 T444 Q450 A451 L452L45-L448 HydrophobicContact CD2-CD1 4.22Å; L46-L448 HydrophobicContact CD2-CD1 3.93Å; F55-L448 HydrophobicContact CD2-CB 4.01Å; F55-L448 HydrophobicContact CE2-CB 3.59Å; V393-L448 HydrophobicContact CG1-CD1 4.16Å; V393-L448 HydrophobicContact CG2-CD1 4.47Å; A396-L448 HydrophobicContact CB-CB 3.79Å; A396-L448 HydrophobicContact CB-CD2 3.7Å; A396-L448 HydrophobicContact CB-CG 4.33Å; A396-L448 WeakPolarHBondContact CB-O 3.44Å; S397-L448 WeakPolarHBondContact OG-CD2 3.38Å; L400-L448 HydrophobicContact CD1-CD2 3.97Å; P443-L448 HydrophobicContact CB-CD2 3.93Å; P443-L448 HydrophobicContact CB-CG 4.09Å; T444-L448 WeakPolarHBondContact O-CG 3.15Å; T444-L448 PolarHBondContact O-N 2.8Å; L448-Q450 VanDerWaalsContact C-N 3.29Å; L448-Q450 PolarHBondContact O-N 3.44Å; L448-A451 WeakPolarHBondContact O-CB 3.48Å; L448-A451 PolarHBondContact O-N 3.43Å; L448-L452 PolarHBondContact O-N 3.06Å
449T97.8Very high91Very high5 Ų550.7 Ų50.73%0.03126%0.257CS..Hα-helixtrans-64.2-34.7175.555.80000112.3F55 V59 K62 E445 N446 S453F55-T449 HydrophobicContact CD2-CG2 3.53Å; F55-T449 HydrophobicContact CE2-CG2 3.91Å; F55-T449 HydrophobicContact CG-CG2 4.4Å; F55-T449 WeakPolarHBondContact O-CG2 3.45Å; V59-T449 HydrophobicContact CG2-CG2 3.72Å; K62-T449 WeakPolarHBondContact CE-OG1 3.41Å; K62-T449 PolarHBondContact NZ-OG1 3.07Å; E445-T449 WeakPolarHBondContact O-CB 3.45Å; E445-T449 WeakPolarHBondContact O-CG2 3.41Å; E445-T449 PolarHBondContact O-N 3.23Å; E445-T449 PolarHBondContact O-OG1 2.88Å; N446-T449 WeakPolarHBondContact CA-OG1 3.18Å; N446-T449 PolarHBondContact O-OG1 3.42Å; T449-S453 WeakPolarHBondContact O-CB 3.14Å; T449-S453 PolarHBondContact O-N 2.93Å
450Q96.6Very high89.2Confident85 Ų8550.9 Ų50.940%0.39726%0.26SS..Hα-helixtrans-68.4-37.2175.2-172.4173.210.300112N446 D447 L448 S453 K454N446-Q450 VanDerWaalsContact O-CB 3.32Å; N446-Q450 WeakPolarHBondContact O-CB 3.42Å; N446-Q450 PolarHBondContact O-N 3.03Å; D447-Q450 PolarHBondContact O-N 3.13Å; L448-Q450 VanDerWaalsContact C-N 3.29Å; L448-Q450 PolarHBondContact O-N 3.44Å; Q450-S453 PolarHBondContact O-N 3.35Å; Q450-K454 WeakPolarHBondContact O-CG 3.29Å; Q450-K454 PolarHBondContact O-N 3.26Å
451A95.9Very high87.6Confident2 Ų254.4 Ų54.42%0.01726%0.264CS..Hα-helixtrans-60.2-50.4176.900000111.3A396 C399 L400 D447 L448 S453 K454 E455A396-A451 HydrophobicContact CB-CB 4.44Å; C399-A451 HydrophobicContact CB-CB 4.22Å; L400-A451 HydrophobicContact CD2-CB 3.92Å; L400-A451 HydrophobicContact CG-CB 3.87Å; D447-A451 PolarHBondContact O-N 3.02Å; L448-A451 WeakPolarHBondContact O-CB 3.48Å; L448-A451 PolarHBondContact O-N 3.43Å; A451-S453 PolarHBondContact O-N 3.29Å; A451-K454 PolarHBondContact O-N 3.27Å; A451-E455 PolarHBondContact O-N 3.41Å
452L95.8Very high86.7Confident0 Ų052.2 Ų52.20%026%0.255CS..Hα-helixtrans-63.6-41.7177.6-66.4171.7000112.4F55 V59 L392 R395 A396 L448 K454 E455 S456F55-L452 HydrophobicContact CE2-CD1 4.27Å; F55-L452 HydrophobicContact CZ-CD1 3.92Å; V59-L452 HydrophobicContact CG1-CD1 4.39Å; V59-L452 HydrophobicContact CG2-CD1 3.72Å; L392-L452 HydrophobicContact CB-CD1 4.12Å; L392-L452 HydrophobicContact CD2-CD1 4.25Å; R395-L452 HydrophobicContact CB-CD2 4.24Å; R395-L452 HydrophobicContact CG-CD2 4.07Å; A396-L452 HydrophobicContact CB-CD1 4.05Å; A396-L452 HydrophobicContact CB-CD2 4.12Å; A396-L452 HydrophobicContact CB-CG 3.77Å; L448-L452 PolarHBondContact O-N 3.06Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.3Å; L452-E455 WeakPolarHBondContact O-CB 3.39Å; L452-E455 PolarHBondContact O-N 3.04Å; L452-S456 PolarHBondContact O-N 3.24Å; L452-S456 PolarHBondContact O-OG 3.32Å
453S94.2Very high85.9Confident9 Ų951.8 Ų51.86%0.06326%0.263CS..Hα-helixtrans-61.7-41.2178.6178.90000112.5K62 T449 Q450 A451 E455 S456 Q457K62-S453 PolarHBondContact O-OG 2.84Å; K62-S453 VanDerWaalsContact O-OG 3.08Å; T449-S453 WeakPolarHBondContact O-CB 3.14Å; T449-S453 PolarHBondContact O-N 2.93Å; Q450-S453 PolarHBondContact O-N 3.35Å; A451-S453 PolarHBondContact O-N 3.29Å; S453-E455 VanDerWaalsContact C-N 3.35Å; S453-S456 PolarHBondContact O-N 3.26Å; S453-Q457 WeakPolarHBondContact O-CB 3.35Å; S453-Q457 VanDerWaalsContact O-CG 3.23Å; S453-Q457 WeakPolarHBondContact O-CG 3.35Å; S453-Q457 PolarHBondContact O-N 2.93Å; S453-Q457 PolarHBondContact OG-NE2 2.86Å
454K90.2Very high84.9Confident96 Ų9654.3 Ų54.342%0.41729%0.285SS..Hα-helixtrans-63.6-41.3175.8-74.8178.9-178.6176.40112Q450 A451 L452 Q457 H458Q450-K454 WeakPolarHBondContact O-CG 3.29Å; Q450-K454 PolarHBondContact O-N 3.26Å; A451-K454 PolarHBondContact O-N 3.27Å; L452-K454 VanDerWaalsContact C-N 3.34Å; L452-K454 PolarHBondContact O-N 3.3Å; K454-Q457 PolarHBondContact O-N 3.42Å; K454-H458 WeakPolarHBondContact O-CB 3.28Å; K454-H458 PolarHBondContact O-N 3.43Å
455E84.6Confident84.2Confident13 Ų1352.7 Ų52.76%0.06128%0.275CS..Hα-helixtrans-59.2-50175.3-179.2179.4-146.300110.7Y280 T318 R395 A451 L452 S453 Q457 L459Y280-E455 PolarHBondContact OH-OE1 3.45Å; Y280-E455 PolarHBondContact OH-OE2 3.28Å; T318-E455 HydrophobicContact CG2-CG 4.32Å; R395-E455 IonicContact CZ-OE1 2.75Å; R395-E455 IonicContact NE-OE1 3.09Å; R395-E455 PolarHBondContact NE-OE1 3.02Å; R395-E455 VanDerWaalsContact NE-OE1 3.17Å; R395-E455 IonicContact NE-OE2 3.3Å; R395-E455 PolarHBondContact NE-OE2 3Å; R395-E455 VanDerWaalsContact NE-OE2 3.14Å; R395-E455 IonicContact NH2-OE1 3.57Å; R395-E455 PolarHBondContact NH2-OE1 2.85Å; A451-E455 PolarHBondContact O-N 3.41Å; L452-E455 WeakPolarHBondContact O-CB 3.39Å; L452-E455 PolarHBondContact O-N 3.04Å; S453-E455 VanDerWaalsContact C-N 3.35Å; E455-Q457 VanDerWaalsContact C-N 3.34Å; E455-Q457 PolarHBondContact O-N 2.92Å; E455-L459 HydrophobicContact CG-CD1 4.25Å; E455-L459 WeakPolarHBondContact O-CD1 3.46Å
456S82.1Confident83.4Confident0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-61.3-40.2176.5-53.80000112.5L452 S453 A460L452-S456 PolarHBondContact O-N 3.24Å; L452-S456 PolarHBondContact O-OG 3.32Å; S453-S456 PolarHBondContact O-N 3.26Å; S456-A460 WeakPolarHBondContact O-CB 3.31Å; S456-A460 PolarHBondContact O-N 3.17Å
457Q80.9Confident82.5Confident110 Ų11054.1 Ų54.151%0.51429%0.292SS..Hα-helixtrans-71.4-39.7-177.3-76.2172.62.800113.9S453 K454 E455 L459S453-Q457 WeakPolarHBondContact O-CB 3.35Å; S453-Q457 VanDerWaalsContact O-CG 3.23Å; S453-Q457 WeakPolarHBondContact O-CG 3.35Å; S453-Q457 PolarHBondContact O-N 2.93Å; S453-Q457 PolarHBondContact OG-NE2 2.86Å; K454-Q457 PolarHBondContact O-N 3.42Å; E455-Q457 VanDerWaalsContact C-N 3.34Å; E455-Q457 PolarHBondContact O-N 2.92Å; Q457-L459 PolarHBondContact O-N 2.92Å
458H67.1Low81.7Confident151 Ų15154.7 Ų54.770%0.69930%0.295SS*.Hα-helixtrans-63.3-29.1-178.6-172.258.3000111.8K454K454-H458 WeakPolarHBondContact O-CB 3.28Å; K454-H458 PolarHBondContact O-N 3.43Å
459L62.4Low80.9Confident45 Ų4557.5 Ų57.524%0.23631%0.311CS..Hα-helixtrans-105.1-10.4-171.8-59.5165.6000113H315 E455 Q457 N461H315-L459 HydrophobicContact CB-CB 4.06Å; H315-L459 HydrophobicContact CB-CD1 3.46Å; H315-L459 VanDerWaalsContact CB-CD1 3.46Å; H315-L459 HydrophobicContact CB-CD2 3.69Å; H315-L459 HydrophobicContact CB-CG 3.88Å; E455-L459 HydrophobicContact CG-CD1 4.25Å; E455-L459 WeakPolarHBondContact O-CD1 3.46Å; Q457-L459 PolarHBondContact O-N 2.92Å; L459-N461 VanDerWaalsContact C-N 3.27Å; L459-N461 PolarHBondContact O-N 3.42Å
460A58.4Low80Confident9 Ų960.4 Ų60.47%0.07433%0.326CS..  trans-83.314179.100000114.8A66 E70 S456 L462A66-A460 HydrophobicContact CB-CB 3.94Å; E70-A460 HydrophobicContact CG-CB 4.19Å; S456-A460 WeakPolarHBondContact O-CB 3.31Å; S456-A460 PolarHBondContact O-N 3.17Å; A460-L462 PolarHBondContact O-N 3.44Å
461N65.1Low79Confident136 Ų13659 Ų5973%0.72732%0.322SS*.  trans-78.378.8171.4-71.1-26.3000109L459L459-N461 VanDerWaalsContact C-N 3.27Å; L459-N461 PolarHBondContact O-N 3.42Å
462L77.6Confident77.9Confident19 Ų1962.6 Ų62.610%0.09934%0.341CS..  trans-111.8141.5177.6-54.9-179.9000109.3E70 V73 Y108 F317 A460E70-L462 HydrophobicContact CG-CD1 4Å; V73-L462 HydrophobicContact CG2-CB 3.99Å; Y108-L462 HydrophobicContact CE1-CD2 3.95Å; Y108-L462 WeakPolarHBondContact OH-CD2 3.37Å; F317-L462 HydrophobicContact CD1-CD1 3.7Å; F317-L462 HydrophobicContact CD2-CD1 4.49Å; F317-L462 HydrophobicContact CE1-CD1 3.52Å; F317-L462 HydrophobicContact CE2-CD1 4.36Å; F317-L462 HydrophobicContact CG-CD1 4.19Å; F317-L462 HydrophobicContact CZ-CD1 3.88Å; A460-L462 PolarHBondContact O-N 3.44Å
463D78.9Confident76.7Confident131 Ų13166.7 Ų66.770%0.70136%0.364SS*.  trans-119.7160.7177.1-71.5-45.4000109.6Y108 V465Y108-D463 WeakPolarHBondContact CE2-O 3.46Å; D463-V465 PolarHBondContact O-N 3.21Å
464A73.9Confident75.5Confident67 Ų6770.9 Ų70.955%0.55439%0.385SS*.  trans-61132.517400000110.5
465V79.4Confident74.3Confident27 Ų2768.9 Ų68.916%0.16438%0.383CS..  trans-118.9149.9175.7-620000110.3Q80 Y108 A112 D463 V467Q80-V465 PolarHBondContact NE2-O 3.06Å; Q80-V465 PolarHBondContact OE1-O 3.33Å; Y108-V465 HydrophobicContact CD2-CG2 3.45Å; Y108-V465 VanDerWaalsContact CD2-CG2 3.45Å; Y108-V465 HydrophobicContact CE2-CB 4.39Å; Y108-V465 HydrophobicContact CE2-CG1 3.88Å; Y108-V465 HydrophobicContact CE2-CG2 3.67Å; Y108-V465 HydrophobicContact CG-CG2 4.28Å; A112-V465 HydrophobicContact CB-CG1 3.76Å; A112-V465 HydrophobicContact CB-CG2 4.39Å; D463-V465 PolarHBondContact O-N 3.21Å; V465-V467 HydrophobicContact CG2-CG2 4.04Å; V465-V467 PolarHBondContact O-N 3.12Å
466T79.3Confident73.5Confident124 Ų12473.6 Ų73.676%0.76141%0.41SS*.  trans-82.1113.1174.5-52.80000108.8Q80 S111Q80-T466 VanDerWaalsContact OE1-CA 3.28Å; S111-T466 PolarHBondContact OG-O 3Å
467V77.1Confident72.7Confident64 Ų6480.3 Ų80.339%0.38845%0.447SS..  trans-930-179.1-179.10000112.1V77 L107 V465V77-V467 HydrophobicContact CB-CG2 4.46Å; V77-V467 HydrophobicContact CG1-CG2 3.89Å; V77-V467 HydrophobicContact CG2-CG2 4.01Å; L107-V467 HydrophobicContact CB-CG1 4.01Å; L107-V467 HydrophobicContact CD1-CG1 4.32Å; L107-V467 HydrophobicContact CD2-CG1 4.43Å; V465-V467 HydrophobicContact CG2-CG2 4.04Å; V465-V467 PolarHBondContact O-N 3.12Å

Retrieved 467 of 467 residues in 321 ms (Link to these results)

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