A0A5K4F7G2_SCHMA Loading...

Tetraspanin

AlphaFold DB , UniProt , Accession A0A5K4F7G2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 222 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
1M61.6Low77.3Confident220 Ų220117.2 Ų117.2100%1.08457%0.568SS**  0-42.80-151.7141.4104.700114.3F3 C4 K5M1-F3 PolarHBondContact O-N 3.4Å; M1-C4 PolarHBondContact O-N 3.11Å; M1-K5 PolarHBondContact O-N 3.2Å
2S74.7Confident78.6Confident103 Ų103116.6 Ų116.672%0.7257%0.569SS**Hα-helixtrans-54.7-40.1-178.3-178.50000115.1C4 K5 K6S2-C4 PolarHBondContact O-N 3.28Å; S2-K5 PolarHBondContact O-N 3.46Å; S2-K6 PolarHBondContact O-N 2.94Å; S2-K6 VanDerWaalsContact O-N 3.08Å
3F72.5Confident79.8Confident167 Ų167109.9 Ų109.973%0.73254%0.537SS*.Hα-helixtrans-64-38.1-178.9-158.3-93.1000113.5M1 K6 K7M1-F3 PolarHBondContact O-N 3.4Å; F3-K6 PolarHBondContact O-N 3.26Å; F3-K7 PolarHBondContact O-N 3.42Å; F3-K7 VanDerWaalsContact O-N 3.11Å
4C68.1Low80.8Confident79 Ų79107.3 Ų107.353%0.53452%0.519SS..Hα-helixtrans-64.9-43.6176.9-168.30000110.9M1 S2 K6 K7 I8M1-C4 PolarHBondContact O-N 3.11Å; S2-C4 PolarHBondContact O-N 3.28Å; C4-K6 PolarHBondContact O-N 3.47Å; C4-K7 PolarHBondContact O-N 2.81Å; C4-I8 WeakPolarHBondContact O-CG1 3.25Å; C4-I8 PolarHBondContact O-N 2.96Å
5K74.1Confident81.8Confident150 Ų150105.1 Ų105.165%0.65251%0.514SS*.Hα-helixtrans-60.3-43.5176.8-165.7174.7-176.7179.40111.8M1 S2 I8 N9M1-K5 PolarHBondContact O-N 3.2Å; S2-K5 PolarHBondContact O-N 3.46Å; K5-I8 PolarHBondContact O-N 3.09Å; K5-N9 PolarHBondContact O-N 3.09Å; K5-N9 VanDerWaalsContact O-N 3.09Å; K5-N9 PolarHBondContact O-OD1 3.25Å
6K77Confident82.7Confident101 Ų101101.1 Ų101.144%0.43950%0.498SS..Hα-helixtrans-62.1-45.5177.1-164.3167.9-174.9174.30111.7S2 F3 C4 I8 N9 H10S2-K6 PolarHBondContact O-N 2.94Å; S2-K6 VanDerWaalsContact O-N 3.08Å; F3-K6 PolarHBondContact O-N 3.26Å; C4-K6 PolarHBondContact O-N 3.47Å; K6-I8 PolarHBondContact O-N 3.07Å; K6-N9 PolarHBondContact O-N 3.47Å; K6-H10 WeakPolarHBondContact CG-NE2 3.18Å; K6-H10 PolarHBondContact O-CD2 2.79Å; K6-H10 PolarHBondContact O-N 3.33Å
7K76.1Confident83.5Confident124 Ų12495.2 Ų95.254%0.53947%0.469SS..Hα-helixtrans-62.8-40.3178.5-170176.1-177.8177.80113F3 C4 R11F3-K7 PolarHBondContact O-N 3.42Å; F3-K7 VanDerWaalsContact O-N 3.11Å; C4-K7 PolarHBondContact O-N 2.81Å; K7-R11 PolarHBondContact O-N 3.24Å
8I82Confident84.2Confident103 Ų10392.4 Ų92.453%0.52846%0.456SS..Hα-helixtrans-64.8-45.1177.7-69.5166.3000110.7C4 K5 K6 H10 R11 L12C4-I8 WeakPolarHBondContact O-CG1 3.25Å; C4-I8 PolarHBondContact O-N 2.96Å; K5-I8 PolarHBondContact O-N 3.09Å; K6-I8 PolarHBondContact O-N 3.07Å; I8-H10 PolarHBondContact O-N 3.23Å; I8-R11 PolarHBondContact O-N 3.47Å; I8-L12 PolarHBondContact O-N 3.08Å; I8-L12 VanDerWaalsContact O-N 3.12Å
9N87.4Confident84.9Confident66 Ų6692.3 Ų92.335%0.35346%0.456SS..Hα-helixtrans-58.8-43.3-178.8-68.8-4.5000112.5K5 K6 R11 L12 L13K5-N9 PolarHBondContact O-N 3.09Å; K5-N9 VanDerWaalsContact O-N 3.09Å; K5-N9 PolarHBondContact O-OD1 3.25Å; K6-N9 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.22Å; N9-L12 PolarHBondContact O-N 3.45Å; N9-L13 WeakPolarHBondContact O-CD1 3.4Å; N9-L13 VanDerWaalsContact O-CG 3.28Å; N9-L13 WeakPolarHBondContact O-CG 3.29Å; N9-L13 PolarHBondContact O-N 3.12Å
10H86.8Confident85.5Confident8 Ų887.8 Ų87.84%0.03743%0.434CS..Hα-helixtrans-67.5-33.4179.9-63.4-59.6000113.6K6 I8 R14 Y211 Y215K6-H10 WeakPolarHBondContact CG-NE2 3.18Å; K6-H10 PolarHBondContact O-CD2 2.79Å; K6-H10 PolarHBondContact O-N 3.33Å; I8-H10 PolarHBondContact O-N 3.23Å; H10-R14 WeakPolarHBondContact O-CG 3.45Å; H10-R14 PolarHBondContact O-N 3.09Å; H10-Y211 AromaticContact CE1-CE1 3.65Å; H10-Y211 AromaticContact ND1-CE1 3.91Å; H10-Y215 HydrophobicContact CB-CD1 4.33Å; H10-Y215 HydrophobicContact CB-CE1 4.1Å; H10-Y215 AromaticContact CD2-CD2 3.77Å; H10-Y215 AromaticContact CD2-CE1 3.78Å; H10-Y215 AromaticContact CD2-CE2 3.39Å; H10-Y215 WeakPolarHBondContact CD2-CE2 3.1Å; H10-Y215 AromaticContact CD2-CZ 3.38Å; H10-Y215 AromaticContact CE1-CD1 3.81Å; H10-Y215 AromaticContact CE1-CD2 3.01Å; H10-Y215 WeakPolarHBondContact CE1-CD2 3.31Å; H10-Y215 AromaticContact CE1-CE2 3.5Å; H10-Y215 AromaticContact CE1-CG 3.16Å; H10-Y215 AromaticContact CG-CD1 3.72Å; H10-Y215 AromaticContact CG-CE1 3.65Å; H10-Y215 AromaticContact CG-CE2 3.99Å; H10-Y215 AromaticContact CG-CG 3.89Å; H10-Y215 AromaticContact CG-CZ 3.76Å; H10-Y215 AromaticContact ND1-CD1 3.49Å; H10-Y215 WeakPolarHBondContact ND1-CD1 3.42Å; H10-Y215 AromaticContact ND1-CD2 3.62Å; H10-Y215 AromaticContact ND1-CE1 3.91Å; H10-Y215 AromaticContact ND1-CG 3.29Å; H10-Y215 VanDerWaalsContact ND1-CG 3.29Å; H10-Y215 AromaticContact NE2-CD2 3.12Å; H10-Y215 WeakPolarHBondContact NE2-CD2 3.5Å; H10-Y215 AromaticContact NE2-CE2 3.08Å; H10-Y215 WeakPolarHBondContact NE2-CE2 3.27Å; H10-Y215 AromaticContact NE2-CG 3.7Å; H10-Y215 AromaticContact NE2-CZ 3.63Å
11R90.1Very high86Confident168 Ų16883.6 Ų83.663%0.63441%0.413SS*.Hα-helixtrans-66.2-43.3173.5-71.6-172.1177.1-166.1-2.2111.1K7 I8 N9 L13 R14 V15K7-R11 PolarHBondContact O-N 3.24Å; I8-R11 PolarHBondContact O-N 3.47Å; N9-R11 PolarHBondContact O-N 3.22Å; R11-L13 PolarHBondContact O-N 3.35Å; R11-R14 PolarHBondContact O-N 3.46Å; R11-V15 WeakPolarHBondContact O-CG2 3.39Å; R11-V15 PolarHBondContact O-N 3.23Å
12L92.9Very high87.7Confident110 Ų11077.6 Ų77.658%0.57639%0.385SS*.Hα-helixtrans-59.6-46.9177.2-178.962.4000111.2I8 N9 R14 V15 T16I8-L12 PolarHBondContact O-N 3.08Å; I8-L12 VanDerWaalsContact O-N 3.12Å; N9-L12 PolarHBondContact O-N 3.45Å; L12-R14 PolarHBondContact O-N 3.42Å; L12-V15 PolarHBondContact O-N 3.43Å; L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 2.92Å; L12-T16 VanDerWaalsContact O-OG1 3.04Å
13L93.8Very high88.8Confident30 Ų3076 Ų7616%0.15737%0.368CS..Hα-helixtrans-58.8-45.4178.6-69.4160.5000112.8N9 R11 V15 T16 V17 C208 Y211N9-L13 WeakPolarHBondContact O-CD1 3.4Å; N9-L13 VanDerWaalsContact O-CG 3.28Å; N9-L13 WeakPolarHBondContact O-CG 3.29Å; N9-L13 PolarHBondContact O-N 3.12Å; R11-L13 PolarHBondContact O-N 3.35Å; L13-V15 PolarHBondContact O-N 3.08Å; L13-T16 PolarHBondContact O-N 3.37Å; L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.49Å; L13-C208 HydrophobicContact CD2-CB 3.94Å; L13-Y211 HydrophobicContact CD1-CD1 3.21Å; L13-Y211 HydrophobicContact CD1-CE1 3.38Å; L13-Y211 HydrophobicContact CD1-CG 4.28Å; L13-Y211 HydrophobicContact CD2-CD1 4.46Å; L13-Y211 HydrophobicContact CG-CD1 4.44Å
14R94.6Very high89.9Confident73 Ų7368 Ų6828%0.27533%0.333SS..Hα-helixtrans-60-46175.2-72.9178-172.4-166.6-3.1111.7H10 R11 L12 T16 V17 I18 N81 L212H10-R14 WeakPolarHBondContact O-CG 3.45Å; H10-R14 PolarHBondContact O-N 3.09Å; R11-R14 PolarHBondContact O-N 3.46Å; L12-R14 PolarHBondContact O-N 3.42Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.04Å; R14-V17 PolarHBondContact O-N 3.28Å; R14-I18 WeakPolarHBondContact O-CB 3.46Å; R14-I18 VanDerWaalsContact O-CG1 3.26Å; R14-I18 WeakPolarHBondContact O-CG1 3.34Å; R14-I18 PolarHBondContact O-N 3.34Å; R14-N81 PolarHBondContact NE-OD1 3.44Å; R14-N81 PolarHBondContact NH1-OD1 3.01Å; R14-N81 PolarHBondContact NH2-OD1 2.85Å; R14-L212 HydrophobicContact CB-CD2 4.44Å; R14-L212 HydrophobicContact CG-CD1 3.71Å; R14-L212 HydrophobicContact CG-CD2 3.56Å; R14-L212 HydrophobicContact CG-CG 4.32Å
15V95.6Very high91.4Very high74 Ų7465.9 Ų65.945%0.44832%0.316SS..Hα-helixtrans-61.5-41.8178.1169.90000110.6R11 L12 L13 I18 I19R11-V15 WeakPolarHBondContact O-CG2 3.39Å; R11-V15 PolarHBondContact O-N 3.23Å; L12-V15 PolarHBondContact O-N 3.43Å; L13-V15 PolarHBondContact O-N 3.08Å; V15-I18 PolarHBondContact O-N 3.15Å; V15-I19 HydrophobicContact CG1-CD1 3.51Å; V15-I19 HydrophobicContact CG1-CG1 4.18Å; V15-I19 WeakPolarHBondContact O-CB 3.41Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.08Å; V15-I19 PolarHBondContact O-N 2.82Å
16T95.1Very high92.5Very high42 Ų4260.7 Ų60.726%0.25831%0.305SS..Hα-helixtrans-60.5-46.6176.1-570000112.2L12 L13 R14 I19 S20 V204L12-T16 PolarHBondContact O-N 3.5Å; L12-T16 PolarHBondContact O-OG1 2.92Å; L12-T16 VanDerWaalsContact O-OG1 3.04Å; L13-T16 PolarHBondContact O-N 3.37Å; R14-T16 VanDerWaalsContact C-N 3.31Å; R14-T16 PolarHBondContact O-N 3.04Å; T16-I19 PolarHBondContact O-N 3.34Å; T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 3.2Å; T16-S20 PolarHBondContact O-OG 3.26Å; T16-S20 VanDerWaalsContact O-OG 3.13Å; T16-V204 HydrophobicContact CG2-CG1 3.99Å
17V96.5Very high93.3Very high0 Ų058.2 Ų58.20%030%0.299CS..Hα-helixtrans-65.5-39178.4179.80000111.4L13 R14 S20 S21 S78 F89 C208L13-V17 WeakPolarHBondContact O-CG2 3.49Å; L13-V17 PolarHBondContact O-N 3.49Å; R14-V17 PolarHBondContact O-N 3.28Å; V17-S20 WeakPolarHBondContact CA-OG 3.12Å; V17-S20 PolarHBondContact O-OG 2.81Å; V17-S21 VanDerWaalsContact O-CB 3.24Å; V17-S21 WeakPolarHBondContact O-CB 3.05Å; V17-S21 PolarHBondContact O-N 3Å; V17-S21 PolarHBondContact O-OG 3.12Å; V17-S78 WeakPolarHBondContact CG1-OG 3.45Å; V17-F89 HydrophobicContact CG1-CE1 3.91Å; V17-F89 HydrophobicContact CG1-CZ 4.4Å; V17-C208 HydrophobicContact CG2-CB 3.65Å
18I97.1Very high94.3Very high46 Ų4652.3 Ų52.324%0.23627%0.274CS..Hα-helixtrans-64.9-47.5176.1-69.4167.9000110.4R14 V15 S21 L22 L75R14-I18 WeakPolarHBondContact O-CB 3.46Å; R14-I18 VanDerWaalsContact O-CG1 3.26Å; R14-I18 WeakPolarHBondContact O-CG1 3.34Å; R14-I18 PolarHBondContact O-N 3.34Å; V15-I18 PolarHBondContact O-N 3.15Å; I18-S21 PolarHBondContact O-N 3.1Å; I18-L22 HydrophobicContact CG2-CD1 4.14Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 3.33Å; I18-L75 HydrophobicContact CG1-CD1 4.26Å; I18-L75 HydrophobicContact CG2-CD1 3.94Å
19I97.1Very high95.1Very high90 Ų9050.5 Ų50.546%0.46227%0.267SS..Hα-helixtrans-62.7-46.1179.2-70.5172000110.8V15 T16 S21 L22 I23V15-I19 HydrophobicContact CG1-CD1 3.51Å; V15-I19 HydrophobicContact CG1-CG1 4.18Å; V15-I19 WeakPolarHBondContact O-CB 3.41Å; V15-I19 VanDerWaalsContact O-CG1 3.24Å; V15-I19 WeakPolarHBondContact O-CG1 3.08Å; V15-I19 PolarHBondContact O-N 2.82Å; T16-I19 PolarHBondContact O-N 3.34Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.27Å; I19-L22 PolarHBondContact O-N 2.96Å; I19-I23 HydrophobicContact CG2-CD1 3.89Å; I19-I23 HydrophobicContact CG2-CG1 4.49Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.37Å
20S96.2Very high95.5Very high2 Ų250 Ų501%0.01427%0.273CS..Hα-helixtrans-63.3-40.5178.163.60000111.7T16 V17 L22 I23 I24 A205T16-S20 WeakPolarHBondContact O-CB 3.01Å; T16-S20 PolarHBondContact O-N 3.2Å; T16-S20 PolarHBondContact O-OG 3.26Å; T16-S20 VanDerWaalsContact O-OG 3.13Å; V17-S20 WeakPolarHBondContact CA-OG 3.12Å; V17-S20 PolarHBondContact O-OG 2.81Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.33Å; S20-I23 PolarHBondContact O-N 2.78Å; S20-I24 VanDerWaalsContact O-CG1 3.28Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.02Å; S20-A205 WeakPolarHBondContact OG-CB 3.27Å
21S97Very high95.8Very high0 Ų052.9 Ų52.90%029%0.288CS..Hα-helixtrans-61.1-41.8175-600000112.1V17 I18 I19 I24 I25 G71 G74V17-S21 VanDerWaalsContact O-CB 3.24Å; V17-S21 WeakPolarHBondContact O-CB 3.05Å; V17-S21 PolarHBondContact O-N 3Å; V17-S21 PolarHBondContact O-OG 3.12Å; I18-S21 PolarHBondContact O-N 3.1Å; I19-S21 VanDerWaalsContact C-N 3.33Å; I19-S21 PolarHBondContact O-N 3.27Å; S21-I24 PolarHBondContact O-N 3.3Å; S21-I25 VanDerWaalsContact O-CG1 3.31Å; S21-I25 WeakPolarHBondContact O-CG1 3.48Å; S21-I25 PolarHBondContact O-N 3.5Å; S21-G71 WeakPolarHBondContact CB-O 3.46Å; S21-G74 WeakPolarHBondContact OG-CA 3.41Å
22L97.5Very high96Very high93 Ų9346.8 Ų46.849%0.48727%0.267SS..Hα-helixtrans-66.3-38.7175.4-70.1174.6000112.3I18 I19 S20 I25 G26I18-L22 HydrophobicContact CG2-CD1 4.14Å; I18-L22 VanDerWaalsContact O-CG 3.3Å; I18-L22 WeakPolarHBondContact O-CG 3.49Å; I18-L22 PolarHBondContact O-N 3.33Å; I19-L22 PolarHBondContact O-N 2.96Å; S20-L22 VanDerWaalsContact C-N 3.34Å; S20-L22 PolarHBondContact O-N 3.33Å; L22-I25 PolarHBondContact O-N 3.18Å; L22-G26 PolarHBondContact O-N 3.33Å
23I97.3Very high96.1Very high70 Ų7046 Ų4636%0.35926%0.263SS..Hα-helixtrans-61.7-46174.1-69.2165.9000110.2I19 S20 I25 G26 C27 L201I19-I23 HydrophobicContact CG2-CD1 3.89Å; I19-I23 HydrophobicContact CG2-CG1 4.49Å; I19-I23 WeakPolarHBondContact O-CG1 3.39Å; I19-I23 PolarHBondContact O-N 3.37Å; S20-I23 PolarHBondContact O-N 2.78Å; I23-I25 PolarHBondContact O-N 3.02Å; I23-G26 PolarHBondContact O-N 3.46Å; I23-C27 WeakPolarHBondContact O-CB 3.39Å; I23-C27 PolarHBondContact O-N 3.49Å; I23-C27 PolarHBondContact O-SG 3.15Å; I23-L201 HydrophobicContact CB-CD2 4.11Å; I23-L201 HydrophobicContact CD1-CD1 4.11Å; I23-L201 HydrophobicContact CD1-CD2 4.35Å; I23-L201 HydrophobicContact CG2-CD2 3.63Å
24I96.5Very high96Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-60-46.6178-68167.2000110.8S20 S21 G26 C27 A28 M67 L93 F198S20-I24 VanDerWaalsContact O-CG1 3.28Å; S20-I24 WeakPolarHBondContact O-CG1 3.41Å; S20-I24 PolarHBondContact O-N 3.02Å; S21-I24 PolarHBondContact O-N 3.3Å; I24-G26 VanDerWaalsContact C-N 3.34Å; I24-G26 PolarHBondContact O-N 3.19Å; I24-C27 PolarHBondContact O-N 3.03Å; I24-A28 WeakPolarHBondContact O-CB 3.28Å; I24-A28 PolarHBondContact O-N 3.02Å; I24-M67 HydrophobicContact CG2-CB 4.17Å; I24-L93 HydrophobicContact CD1-CD1 4.35Å; I24-L93 HydrophobicContact CD1-CD2 3.67Å; I24-F198 HydrophobicContact CG1-CE2 4.14Å; I24-F198 HydrophobicContact CG1-CZ 3.95Å
25I97.8Very high95.8Very high34 Ų3446.6 Ų46.617%0.17427%0.266CS..Hα-helixtrans-61-44.2176-68.1166.4000110.7S21 L22 I23 A28 V29 L72S21-I25 VanDerWaalsContact O-CG1 3.31Å; S21-I25 WeakPolarHBondContact O-CG1 3.48Å; S21-I25 PolarHBondContact O-N 3.5Å; L22-I25 PolarHBondContact O-N 3.18Å; I23-I25 PolarHBondContact O-N 3.02Å; I25-A28 WeakPolarHBondContact O-CB 3.16Å; I25-A28 PolarHBondContact O-N 2.96Å; I25-V29 HydrophobicContact CG2-CG2 4.5Å; I25-V29 WeakPolarHBondContact O-CG2 3.26Å; I25-V29 PolarHBondContact O-N 2.86Å; I25-L72 HydrophobicContact CD1-CD2 4.25Å; I25-L72 HydrophobicContact CD1-CG 4.45Å
26G97.1Very high95.5Very high41 Ų4145.9 Ų45.942%0.42326%0.264SS..Hα-helixtrans-60.3-46.5177.200000112.7L22 I23 I24 A28 V29 A30L22-G26 PolarHBondContact O-N 3.33Å; I23-G26 PolarHBondContact O-N 3.46Å; I24-G26 VanDerWaalsContact C-N 3.34Å; I24-G26 PolarHBondContact O-N 3.19Å; G26-A28 VanDerWaalsContact C-N 3.3Å; G26-A28 PolarHBondContact O-N 3.42Å; G26-V29 PolarHBondContact O-N 3.28Å; G26-A30 WeakPolarHBondContact O-CB 3.46Å; G26-A30 PolarHBondContact O-N 3.38Å
27C95.6Very high95.3Very high48 Ų4848.7 Ų48.732%0.32428%0.277SS..Hα-helixtrans-59.8-40.3173.9-70.80000111.7I23 I24 A30 L31 F198I23-C27 WeakPolarHBondContact O-CB 3.39Å; I23-C27 PolarHBondContact O-N 3.49Å; I23-C27 PolarHBondContact O-SG 3.15Å; I24-C27 PolarHBondContact O-N 3.03Å; C27-A30 PolarHBondContact O-N 2.95Å; C27-L31 WeakPolarHBondContact O-CB 3.1Å; C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 2.9Å; C27-F198 HydrophobicContact CB-CE2 4.43Å
28A96.9Very high94.8Very high0 Ų052.4 Ų52.40%029%0.293CS..Hα-helixtrans-65.8-44.2178.500000113I24 I25 G26 A30 L31 I32 M67 I68I24-A28 WeakPolarHBondContact O-CB 3.28Å; I24-A28 PolarHBondContact O-N 3.02Å; I25-A28 WeakPolarHBondContact O-CB 3.16Å; I25-A28 PolarHBondContact O-N 2.96Å; G26-A28 VanDerWaalsContact C-N 3.3Å; G26-A28 PolarHBondContact O-N 3.42Å; A28-A30 VanDerWaalsContact C-N 3.35Å; A28-L31 PolarHBondContact O-N 3.04Å; A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 3.23Å; A28-M67 HydrophobicContact CB-CB 3.65Å; A28-M67 HydrophobicContact CB-CE 3.89Å; A28-I68 HydrophobicContact CB-CD1 4.43Å; A28-I68 HydrophobicContact CB-CG1 3.64Å
29V97.4Very high94.3Very high66 Ų6654.5 Ų54.540%0.430%0.299SS..Hα-helixtrans-61.6-44.6174.1172.10000110.6I25 G26 L31 I32 I33 I68I25-V29 HydrophobicContact CG2-CG2 4.5Å; I25-V29 WeakPolarHBondContact O-CG2 3.26Å; I25-V29 PolarHBondContact O-N 2.86Å; G26-V29 PolarHBondContact O-N 3.28Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.39Å; V29-I32 PolarHBondContact O-N 3.46Å; V29-I33 HydrophobicContact CG1-CD1 3.76Å; V29-I33 HydrophobicContact CG1-CG1 4.43Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.28Å; V29-I33 PolarHBondContact O-N 3.45Å; V29-I68 HydrophobicContact CG2-CD1 4.31Å
30A95.8Very high93.7Very high56 Ų5653.8 Ų53.846%0.46330%0.302SS..Hα-helixtrans-59.9-40.6176.800000112.3G26 C27 A28 I33 F34G26-A30 WeakPolarHBondContact O-CB 3.46Å; G26-A30 PolarHBondContact O-N 3.38Å; C27-A30 PolarHBondContact O-N 2.95Å; A28-A30 VanDerWaalsContact C-N 3.35Å; A30-I33 PolarHBondContact O-N 3.25Å; A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 PolarHBondContact O-N 3.3Å
31L93.9Very high93Very high68 Ų6856.2 Ų56.236%0.35632%0.319SS..Hα-helixtrans-65.3-41.1176.6-79.7169.5000112.9C27 A28 V29 F34 G35 M67C27-L31 WeakPolarHBondContact O-CB 3.1Å; C27-L31 WeakPolarHBondContact O-CG 3.29Å; C27-L31 PolarHBondContact O-N 2.9Å; A28-L31 PolarHBondContact O-N 3.04Å; V29-L31 VanDerWaalsContact C-N 3.31Å; V29-L31 PolarHBondContact O-N 3.39Å; L31-F34 PolarHBondContact O-N 3.47Å; L31-G35 PolarHBondContact O-N 3.02Å; L31-M67 HydrophobicContact CD1-CE 3.34Å; L31-M67 HydrophobicContact CD1-SD 4.41Å
32I95.1Very high92Very high39 Ų3957.7 Ų57.720%0.233%0.326CS..Hα-helixtrans-64.8-43.7176.2-66.7166.5000111A28 V29 G35 S36 I68A28-I32 WeakPolarHBondContact O-CG1 3.44Å; A28-I32 PolarHBondContact O-N 3.23Å; V29-I32 PolarHBondContact O-N 3.46Å; I32-G35 PolarHBondContact O-N 3.12Å; I32-S36 WeakPolarHBondContact O-CB 3.24Å; I32-S36 PolarHBondContact O-N 3.26Å; I32-S36 PolarHBondContact O-OG 2.97Å; I32-I68 HydrophobicContact CD1-CD1 3.74Å
33I95Very high91.2Very high93 Ų9360 Ų6048%0.47733%0.329SS..Hα-helixtrans-62.3-47.4176.8-67.4167.8000110V29 A30 G35 S36 I37V29-I33 HydrophobicContact CG1-CD1 3.76Å; V29-I33 HydrophobicContact CG1-CG1 4.43Å; V29-I33 VanDerWaalsContact O-CG1 3.31Å; V29-I33 WeakPolarHBondContact O-CG1 3.28Å; V29-I33 PolarHBondContact O-N 3.45Å; A30-I33 PolarHBondContact O-N 3.25Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.28Å; I33-S36 PolarHBondContact O-N 2.92Å; I33-S36 VanDerWaalsContact O-N 3.15Å; I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.38Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 2.85Å
34F91.7Very high90.1Very high117 Ų11765.1 Ų65.151%0.51335%0.348SS..Hα-helixtrans-58.4-46177.6-178.1-98000111.7A30 L31 S36 I37 F38A30-F34 WeakPolarHBondContact O-CB 3.49Å; A30-F34 PolarHBondContact O-N 3.3Å; L31-F34 PolarHBondContact O-N 3.47Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 2.98Å; F34-I37 PolarHBondContact O-N 3.3Å; F34-F38 VanDerWaalsContact O-CB 3.28Å; F34-F38 WeakPolarHBondContact O-CB 3.42Å; F34-F38 PolarHBondContact O-N 2.82Å
35G90.2Very high88.8Confident0 Ų069.9 Ų69.90%037%0.367CS..Hα-helixtrans-58.2-40.7175.400000113L31 I32 I33 F38 Y39L31-G35 PolarHBondContact O-N 3.02Å; I32-G35 PolarHBondContact O-N 3.12Å; I33-G35 VanDerWaalsContact C-N 3.35Å; I33-G35 PolarHBondContact O-N 3.28Å; G35-F38 PolarHBondContact O-N 3.19Å; G35-Y39 WeakPolarHBondContact O-CB 3.32Å; G35-Y39 PolarHBondContact O-N 2.92Å
36S89.2Confident87.3Confident58 Ų5870 Ų7041%0.40637%0.368SS..Hα-helixtrans-69.6-40.9179.6-56.50000113I32 I33 F34 S40I32-S36 WeakPolarHBondContact O-CB 3.24Å; I32-S36 PolarHBondContact O-N 3.26Å; I32-S36 PolarHBondContact O-OG 2.97Å; I33-S36 PolarHBondContact O-N 2.92Å; I33-S36 VanDerWaalsContact O-N 3.15Å; F34-S36 VanDerWaalsContact C-N 3.3Å; F34-S36 PolarHBondContact O-N 2.98Å; S36-S40 PolarHBondContact O-N 2.67Å; S36-S40 VanDerWaalsContact O-N 3.17Å; S36-S40 PolarHBondContact O-OG 2.95Å
37I89.8Confident85.9Confident102 Ų10275.3 Ų75.352%0.52339%0.386SS..Hα-helixtrans-66.7-41.8174.6-65.5172.2000110.3I33 F34 S40 S41I33-I37 HydrophobicContact CG2-CD1 3.79Å; I33-I37 HydrophobicContact CG2-CG1 4.38Å; I33-I37 WeakPolarHBondContact O-CG1 3.5Å; I33-I37 PolarHBondContact O-N 2.85Å; F34-I37 PolarHBondContact O-N 3.3Å; I37-S40 PolarHBondContact O-N 3.08Å; I37-S41 WeakPolarHBondContact O-CB 3.38Å; I37-S41 PolarHBondContact O-N 3.5Å; I37-S41 PolarHBondContact O-OG 3.39Å
38F86.2Confident84.5Confident77 Ų7782.2 Ų82.234%0.33841%0.411SS..Hα-helixtrans-63.1-42.3177.9-169.7-108.6000111.8F34 G35 S40 S41 I42 I53 I57F34-F38 VanDerWaalsContact O-CB 3.28Å; F34-F38 WeakPolarHBondContact O-CB 3.42Å; F34-F38 PolarHBondContact O-N 2.82Å; G35-F38 PolarHBondContact O-N 3.19Å; F38-S40 PolarHBondContact O-N 3.25Å; F38-S41 PolarHBondContact O-N 2.97Å; F38-I42 HydrophobicContact CD1-CD1 3.86Å; F38-I42 HydrophobicContact CD2-CD1 4.41Å; F38-I42 HydrophobicContact CE1-CD1 3.29Å; F38-I42 HydrophobicContact CE1-CG1 4.44Å; F38-I42 HydrophobicContact CE2-CD1 3.92Å; F38-I42 HydrophobicContact CG-CD1 4.4Å; F38-I42 HydrophobicContact CZ-CD1 3.34Å; F38-I42 HydrophobicContact CZ-CG1 4.39Å; F38-I42 PolarHBondContact O-N 3.29Å; F38-I53 HydrophobicContact CE1-CG2 4.36Å; F38-I57 HydrophobicContact CD1-CD1 4.04Å; F38-I57 HydrophobicContact CD1-CG1 3.96Å
39Y86.7Confident83Confident90 Ų9083.8 Ų83.835%0.35342%0.419SS..Hα-helixtrans-55-50.7172.2-177.8-99000112.5G35 S41 I42 R43 L49 I57G35-Y39 WeakPolarHBondContact O-CB 3.32Å; G35-Y39 PolarHBondContact O-N 2.92Å; Y39-S41 VanDerWaalsContact C-N 3.29Å; Y39-S41 PolarHBondContact O-N 3.46Å; Y39-I42 PolarHBondContact O-N 2.88Å; Y39-R43 WeakPolarHBondContact O-CB 3.21Å; Y39-R43 PolarHBondContact O-N 3.45Å; Y39-L49 HydrophobicContact CD2-CD2 3.88Å; Y39-L49 HydrophobicContact CE2-CD2 3.57Å; Y39-I57 HydrophobicContact CD2-CD1 3.73Å; Y39-I57 HydrophobicContact CD2-CG2 4.11Å; Y39-I57 HydrophobicContact CG-CD1 4.25Å; Y39-I57 HydrophobicContact CG-CG2 4.41Å
40S84.2Confident81.9Confident76 Ų7685.1 Ų85.153%0.53142%0.424SS..Hα-helixtrans-64.1-37.9-179-57.60000111.7S36 I37 F38 K44S36-S40 PolarHBondContact O-N 2.67Å; S36-S40 VanDerWaalsContact O-N 3.17Å; S36-S40 PolarHBondContact O-OG 2.95Å; I37-S40 PolarHBondContact O-N 3.08Å; F38-S40 PolarHBondContact O-N 3.25Å; S40-K44 PolarHBondContact O-N 3.46Å
41S81.3Confident81.2Confident52 Ų5287 Ų8736%0.36443%0.43SS..Hα-helixtrans-65.8-42.4179.1-630000112.3I37 F38 Y39 Y45I37-S41 WeakPolarHBondContact O-CB 3.38Å; I37-S41 PolarHBondContact O-N 3.5Å; I37-S41 PolarHBondContact O-OG 3.39Å; F38-S41 PolarHBondContact O-N 2.97Å; Y39-S41 VanDerWaalsContact C-N 3.29Å; Y39-S41 PolarHBondContact O-N 3.46Å; S41-Y45 WeakPolarHBondContact O-CD2 3.32Å; S41-Y45 WeakPolarHBondContact O-CE2 3.43Å
42I77Confident80.7Confident31 Ų3188.3 Ų88.316%0.15944%0.441CS..Hα-helixtrans-77.5-38.3-178.9-62.9-178.8000111.7F38 Y39 K44 Y45 N46 L49 I53F38-I42 HydrophobicContact CD1-CD1 3.86Å; F38-I42 HydrophobicContact CD2-CD1 4.41Å; F38-I42 HydrophobicContact CE1-CD1 3.29Å; F38-I42 HydrophobicContact CE1-CG1 4.44Å; F38-I42 HydrophobicContact CE2-CD1 3.92Å; F38-I42 HydrophobicContact CG-CD1 4.4Å; F38-I42 HydrophobicContact CZ-CD1 3.34Å; F38-I42 HydrophobicContact CZ-CG1 4.39Å; F38-I42 PolarHBondContact O-N 3.29Å; Y39-I42 PolarHBondContact O-N 2.88Å; I42-K44 PolarHBondContact O-N 3.34Å; I42-K44 VanDerWaalsContact O-N 3.13Å; I42-Y45 PolarHBondContact O-N 2.94Å; I42-N46 PolarHBondContact O-N 2.93Å; I42-L49 HydrophobicContact CB-CD1 3.92Å; I42-L49 HydrophobicContact CG2-CD1 3.24Å; I42-I53 HydrophobicContact CD1-CD1 4.24Å; I42-I53 HydrophobicContact CD1-CG2 3.5Å; I42-I53 VanDerWaalsContact CD1-CG2 3.5Å; I42-I53 HydrophobicContact CG2-CD1 3.92Å; I42-I53 HydrophobicContact CG2-CG2 4.26Å
43R79.4Confident80.1Confident143 Ų14388.2 Ų88.254%0.5444%0.44SS..Hα-helixtrans-55.9-30.9176.8-173178.8178.7-157.4-0.2112.6Y39 Y45 N46Y39-R43 WeakPolarHBondContact O-CB 3.21Å; Y39-R43 PolarHBondContact O-N 3.45Å; R43-Y45 VanDerWaalsContact C-N 3.3Å; R43-Y45 PolarHBondContact O-N 2.87Å; R43-N46 CarbonylContact O-C 3.56Å
44K75.3Confident79.7Confident177 Ų17788.9 Ų88.977%0.7744%0.44SS*.THydrogen-bonded Turntrans-64.6-30.2176.2-172.9176.6178.7179.80113.7S40 I42S40-K44 PolarHBondContact O-N 3.46Å; I42-K44 PolarHBondContact O-N 3.34Å; I42-K44 VanDerWaalsContact O-N 3.13Å
45Y68.2Low79.6Confident100 Ų10091.2 Ų91.239%0.39245%0.445SS..THydrogen-bonded Turntrans-95.8-36.2-178-64.9-81.5000112.2S41 I42 R43 T137 K141S41-Y45 WeakPolarHBondContact O-CD2 3.32Å; S41-Y45 WeakPolarHBondContact O-CE2 3.43Å; I42-Y45 PolarHBondContact O-N 2.94Å; R43-Y45 VanDerWaalsContact C-N 3.3Å; R43-Y45 PolarHBondContact O-N 2.87Å; Y45-T137 HydrophobicContact CD1-CG2 3.63Å; Y45-T137 HydrophobicContact CE1-CG2 3.86Å; Y45-K141 VanDerWaalsContact CE2-NZ 3.34Å; Y45-K141 VanDerWaalsContact OH-CE 3.28Å; Y45-K141 WeakPolarHBondContact OH-CE 3.38Å; Y45-K141 PolarHBondContact OH-NZ 2.9Å
46N66.6Low79.5Confident37 Ų3794.2 Ų94.220%0.19846%0.463CS..  trans-121.599.5-179.7-68.8-12.1000108.9I42 R43 K48 L49I42-N46 PolarHBondContact O-N 2.93Å; R43-N46 CarbonylContact O-C 3.56Å; N46-K48 CarbonylContact O-C 3.54Å; N46-K48 PolarHBondContact O-N 2.84Å; N46-L49 PolarHBondContact O-N 3.39Å
47D69Low79.6Confident151 Ų15192 Ų9281%0.80745%0.447SS*.SBendtrans-61.2-29.8174.7-151.828.8000110.6
48K64.6Low79.6Confident193 Ų19391.4 Ų91.484%0.83944%0.442SS*.SBendtrans-95.188.8160.7-67-176.5-178.2179.80109.6N46 D50N46-K48 CarbonylContact O-C 3.54Å; N46-K48 PolarHBondContact O-N 2.84Å; K48-D50 PolarHBondContact O-N 3.02Å
49L65.5Low79.8Confident34 Ų3491 Ų9118%0.17845%0.448CS..  trans-55.7126170.3-172.865000109.6Y39 I42 N46 T51 I53 K54Y39-L49 HydrophobicContact CD2-CD2 3.88Å; Y39-L49 HydrophobicContact CE2-CD2 3.57Å; I42-L49 HydrophobicContact CB-CD1 3.92Å; I42-L49 HydrophobicContact CG2-CD1 3.24Å; N46-L49 PolarHBondContact O-N 3.39Å; L49-T51 PolarHBondContact O-N 3.34Å; L49-I53 HydrophobicContact CD1-CB 3.85Å; L49-I53 HydrophobicContact CD1-CD1 4.32Å; L49-I53 HydrophobicContact CD1-CG2 3.62Å; L49-I53 HydrophobicContact CG-CB 4.19Å; L49-I53 HydrophobicContact CG-CG2 4.29Å; L49-K54 HydrophobicContact CD2-CB 3.86Å; L49-K54 HydrophobicContact CD2-CG 4.48Å; L49-K54 HydrophobicContact CG-CB 4.42Å
50D74.5Confident80.1Confident93 Ų9390.1 Ų90.150%0.49745%0.446SS..  trans-54.9134.3173.8-76.6-50.9000109.8K48 T52 I53 K54K48-D50 PolarHBondContact O-N 3.02Å; D50-T52 PolarHBondContact O-N 3.04Å; D50-I53 HydrophobicContact CB-CD1 4.04Å; D50-I53 HydrophobicContact CB-CG1 4.12Å; D50-I53 PolarHBondContact O-N 3.13Å; D50-K54 PolarHBondContact O-N 3.12Å; D50-K54 VanDerWaalsContact O-N 3.14Å
51T82.7Confident80.5Confident97 Ų9789.1 Ų89.160%0.59544%0.437SS*.Hα-helixtrans-54.6-32.1-178.457.70000112L49 R55L49-T51 PolarHBondContact O-N 3.34Å; T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3.43Å; T51-R55 VanDerWaalsContact O-N 3.11Å
52T82.3Confident81.1Confident94 Ų9491.5 Ų91.558%0.57744%0.444SS*.Hα-helixtrans-61.2-47.1173.8-52.20000112.5D50 K54 R55 V56D50-T52 PolarHBondContact O-N 3.04Å; T52-K54 VanDerWaalsContact C-N 3.34Å; T52-R55 PolarHBondContact O-N 3.02Å; T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.48Å; T52-V56 VanDerWaalsContact O-N 3.09Å
53I82.5Confident81.9Confident37 Ų3793.5 Ų93.519%0.1946%0.458CS..Hα-helixtrans-67.6-40.7-177.9-59.8172.1000110F38 I42 L49 D50 R55 V56 I57F38-I53 HydrophobicContact CE1-CG2 4.36Å; I42-I53 HydrophobicContact CD1-CD1 4.24Å; I42-I53 HydrophobicContact CD1-CG2 3.5Å; I42-I53 VanDerWaalsContact CD1-CG2 3.5Å; I42-I53 HydrophobicContact CG2-CD1 3.92Å; I42-I53 HydrophobicContact CG2-CG2 4.26Å; L49-I53 HydrophobicContact CD1-CB 3.85Å; L49-I53 HydrophobicContact CD1-CD1 4.32Å; L49-I53 HydrophobicContact CD1-CG2 3.62Å; L49-I53 HydrophobicContact CG-CB 4.19Å; L49-I53 HydrophobicContact CG-CG2 4.29Å; D50-I53 HydrophobicContact CB-CD1 4.04Å; D50-I53 HydrophobicContact CB-CG1 4.12Å; D50-I53 PolarHBondContact O-N 3.13Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.3Å; I53-V56 PolarHBondContact O-N 3.35Å; I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 WeakPolarHBondContact O-CG1 3.41Å; I53-I57 PolarHBondContact O-N 3.39Å; I53-I57 VanDerWaalsContact O-N 3.1Å
54K86.6Confident82.7Confident108 Ų10886.7 Ų86.747%0.4743%0.432SS..Hα-helixtrans-55.3-47.7173.9-175.9176.2168.41790111.3L49 D50 T52 V56 I57 E58L49-K54 HydrophobicContact CD2-CB 3.86Å; L49-K54 HydrophobicContact CD2-CG 4.48Å; L49-K54 HydrophobicContact CG-CB 4.42Å; D50-K54 PolarHBondContact O-N 3.12Å; D50-K54 VanDerWaalsContact O-N 3.14Å; T52-K54 VanDerWaalsContact C-N 3.34Å; K54-V56 PolarHBondContact O-N 3.28Å; K54-I57 PolarHBondContact O-N 3.44Å; K54-E58 WeakPolarHBondContact CE-OE1 3.45Å; K54-E58 IonicContact NZ-OE1 3.93Å; K54-E58 WeakPolarHBondContact O-CG 3.46Å; K54-E58 PolarHBondContact O-N 3.24Å
55R89.7Confident83.7Confident165 Ų16581.6 Ų81.662%0.62342%0.418SS*.Hα-helixtrans-60.7-41.6177.7-70.8175.1-167.2-178.34.7112.7T51 T52 I53 I57 E58 C59T51-R55 WeakPolarHBondContact O-CG 3.5Å; T51-R55 PolarHBondContact O-N 3.43Å; T51-R55 VanDerWaalsContact O-N 3.11Å; T52-R55 PolarHBondContact O-N 3.02Å; I53-R55 VanDerWaalsContact C-N 3.32Å; I53-R55 PolarHBondContact O-N 3.3Å; R55-I57 VanDerWaalsContact C-N 3.32Å; R55-I57 PolarHBondContact O-N 3.45Å; R55-E58 PolarHBondContact O-N 3.4Å; R55-C59 PolarHBondContact O-N 3.32Å; R55-C59 PolarHBondContact O-SG 3.49Å
56V89Confident85Confident63 Ų6381.5 Ų81.538%0.38242%0.423SS..Hα-helixtrans-61.3-42.8178.2172.40000111.3T52 I53 K54 C59 F60T52-V56 WeakPolarHBondContact O-CG2 3.46Å; T52-V56 PolarHBondContact O-N 3.48Å; T52-V56 VanDerWaalsContact O-N 3.09Å; I53-V56 PolarHBondContact O-N 3.35Å; K54-V56 PolarHBondContact O-N 3.28Å; V56-C59 WeakPolarHBondContact O-CB 3.36Å; V56-C59 PolarHBondContact O-N 2.91Å; V56-F60 HydrophobicContact CG1-CD2 4.44Å; V56-F60 HydrophobicContact CG1-CE2 3.87Å; V56-F60 HydrophobicContact CG1-CZ 4.01Å; V56-F60 PolarHBondContact O-N 2.91Å; V56-F60 VanDerWaalsContact O-N 3.13Å
57I89.6Confident86.4Confident12 Ų1280.4 Ų80.46%0.06242%0.417CS..Hα-helixtrans-68.5-42.5179.8-67163.6000111F38 Y39 I53 K54 R55 C59 F60 V61F38-I57 HydrophobicContact CD1-CD1 4.04Å; F38-I57 HydrophobicContact CD1-CG1 3.96Å; Y39-I57 HydrophobicContact CD2-CD1 3.73Å; Y39-I57 HydrophobicContact CD2-CG2 4.11Å; Y39-I57 HydrophobicContact CG-CD1 4.25Å; Y39-I57 HydrophobicContact CG-CG2 4.41Å; I53-I57 HydrophobicContact CG2-CD1 3.81Å; I53-I57 WeakPolarHBondContact O-CG1 3.41Å; I53-I57 PolarHBondContact O-N 3.39Å; I53-I57 VanDerWaalsContact O-N 3.1Å; K54-I57 PolarHBondContact O-N 3.44Å; R55-I57 VanDerWaalsContact C-N 3.32Å; R55-I57 PolarHBondContact O-N 3.45Å; I57-C59 VanDerWaalsContact C-N 3.28Å; I57-C59 PolarHBondContact O-N 3.06Å; I57-F60 PolarHBondContact O-N 3.03Å; I57-F60 VanDerWaalsContact O-N 3.17Å; I57-V61 PolarHBondContact O-N 2.92Å
58E90Very high87.7Confident89 Ų8975.5 Ų75.542%0.41639%0.39SS..Hα-helixtrans-57.3-42.6173.2-73.3169.5172.400111.2K54 R55 F60 V61 I62K54-E58 WeakPolarHBondContact CE-OE1 3.45Å; K54-E58 IonicContact NZ-OE1 3.93Å; K54-E58 WeakPolarHBondContact O-CG 3.46Å; K54-E58 PolarHBondContact O-N 3.24Å; R55-E58 PolarHBondContact O-N 3.4Å; E58-F60 PolarHBondContact O-N 3.43Å; E58-V61 PolarHBondContact O-N 2.97Å; E58-I62 VanDerWaalsContact O-CG1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.36Å; E58-I62 PolarHBondContact O-N 3.39Å
59C91.8Very high89.2Confident70 Ų7072.5 Ų72.547%0.47338%0.377SS..Hα-helixtrans-59.6-43.4174.5-720000112.8R55 V56 I57 V61 I62 V63R55-C59 PolarHBondContact O-N 3.32Å; R55-C59 PolarHBondContact O-SG 3.49Å; V56-C59 WeakPolarHBondContact O-CB 3.36Å; V56-C59 PolarHBondContact O-N 2.91Å; I57-C59 VanDerWaalsContact C-N 3.28Å; I57-C59 PolarHBondContact O-N 3.06Å; C59-V61 VanDerWaalsContact C-N 3.32Å; C59-V61 PolarHBondContact O-N 2.73Å; C59-I62 PolarHBondContact O-N 2.93Å; C59-V63 WeakPolarHBondContact O-CB 3.42Å; C59-V63 VanDerWaalsContact O-CG2 3.26Å; C59-V63 WeakPolarHBondContact O-CG2 3.24Å; C59-V63 PolarHBondContact O-N 2.86Å
60F91.7Very high90.6Very high71 Ų7171.2 Ų71.231%0.31137%0.372SS..Hα-helixtrans-61-40178.1-70.2-32000112.8V56 I57 E58 G64V56-F60 HydrophobicContact CG1-CD2 4.44Å; V56-F60 HydrophobicContact CG1-CE2 3.87Å; V56-F60 HydrophobicContact CG1-CZ 4.01Å; V56-F60 PolarHBondContact O-N 2.91Å; V56-F60 VanDerWaalsContact O-N 3.13Å; I57-F60 PolarHBondContact O-N 3.03Å; I57-F60 VanDerWaalsContact O-N 3.17Å; E58-F60 PolarHBondContact O-N 3.43Å; F60-G64 PolarHBondContact O-N 2.68Å
61V93.1Very high91.7Very high55 Ų5566.8 Ų66.833%0.33335%0.348SS..Hα-helixtrans-67.3-46.4177.4177.70000110.9I57 E58 C59 G64 C65I57-V61 PolarHBondContact O-N 2.92Å; E58-V61 PolarHBondContact O-N 2.97Å; C59-V61 VanDerWaalsContact C-N 3.32Å; C59-V61 PolarHBondContact O-N 2.73Å; V61-G64 PolarHBondContact O-N 3.03Å; V61-C65 PolarHBondContact O-N 3.36Å; V61-C65 PolarHBondContact O-SG 3.47Å
62I94Very high92.3Very high101 Ų10165.1 Ų65.152%0.51834%0.336SS..Hα-helixtrans-61-48.7-179.9-67.1165.7000110.9E58 C59 G64 C65 I66E58-I62 VanDerWaalsContact O-CG1 3.3Å; E58-I62 WeakPolarHBondContact O-CG1 3.36Å; E58-I62 PolarHBondContact O-N 3.39Å; C59-I62 PolarHBondContact O-N 2.93Å; I62-G64 VanDerWaalsContact C-N 3.31Å; I62-G64 PolarHBondContact O-N 3.45Å; I62-C65 PolarHBondContact O-N 2.84Å; I62-I66 HydrophobicContact CG2-CD1 3.98Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 2.88Å
63V94Very high93Very high74 Ų7462 Ų6245%0.44832%0.315SS..Hα-helixtrans-62.4-41.5178.3174.70000110.7C59 C65 I66 M67C59-V63 WeakPolarHBondContact O-CB 3.42Å; C59-V63 VanDerWaalsContact O-CG2 3.26Å; C59-V63 WeakPolarHBondContact O-CG2 3.24Å; C59-V63 PolarHBondContact O-N 2.86Å; V63-C65 PolarHBondContact O-N 3.47Å; V63-I66 PolarHBondContact O-N 3.42Å; V63-M67 HydrophobicContact CG1-CE 3.93Å; V63-M67 HydrophobicContact CG1-SD 4.32Å; V63-M67 WeakPolarHBondContact O-CG 3.3Å; V63-M67 PolarHBondContact O-N 2.99Å
64G95.9Very high93.6Very high0 Ų060.2 Ų60.20%031%0.306CS..Hα-helixtrans-51.8-52.4171.400000112.8F60 V61 I62 I66 M67 I68F60-G64 PolarHBondContact O-N 2.68Å; V61-G64 PolarHBondContact O-N 3.03Å; I62-G64 VanDerWaalsContact C-N 3.31Å; I62-G64 PolarHBondContact O-N 3.45Å; G64-I66 PolarHBondContact O-N 2.99Å; G64-M67 PolarHBondContact O-N 3.43Å; G64-I68 WeakPolarHBondContact O-CG1 3.34Å; G64-I68 PolarHBondContact O-N 3.21Å
65C95.9Very high94.1Very high69 Ų6957.1 Ų57.147%0.46629%0.294SS..Hα-helixtrans-61.1-41.9179.2-67.30000112.8V61 I62 V63 M67 I68 F69V61-C65 PolarHBondContact O-N 3.36Å; V61-C65 PolarHBondContact O-SG 3.47Å; I62-C65 PolarHBondContact O-N 2.84Å; V63-C65 PolarHBondContact O-N 3.47Å; C65-M67 VanDerWaalsContact C-N 3.34Å; C65-M67 PolarHBondContact O-N 3.2Å; C65-I68 PolarHBondContact O-N 2.87Å; C65-F69 PolarHBondContact O-N 3.31Å
66I95.5Very high94.4Very high99 Ų9954.6 Ų54.651%0.50829%0.288SS..Hα-helixtrans-61.8-43.4177.6-67.6167.7000110.8I62 V63 G64 F69 A70I62-I66 HydrophobicContact CG2-CD1 3.98Å; I62-I66 WeakPolarHBondContact O-CG1 3.49Å; I62-I66 PolarHBondContact O-N 2.88Å; V63-I66 PolarHBondContact O-N 3.42Å; G64-I66 PolarHBondContact O-N 2.99Å; I66-F69 PolarHBondContact O-N 3.22Å; I66-A70 PolarHBondContact O-N 2.88Å
67M95.7Very high94.6Very high14 Ų1451.6 Ų51.67%0.06927%0.27CS..Hα-helixtrans-67.8-37.3178.4-68.1-175.3-6300112.7I24 A28 L31 V63 G64 C65 F69 A70 G71 I96I24-M67 HydrophobicContact CG2-CB 4.17Å; A28-M67 HydrophobicContact CB-CB 3.65Å; A28-M67 HydrophobicContact CB-CE 3.89Å; L31-M67 HydrophobicContact CD1-CE 3.34Å; L31-M67 HydrophobicContact CD1-SD 4.41Å; V63-M67 HydrophobicContact CG1-CE 3.93Å; V63-M67 HydrophobicContact CG1-SD 4.32Å; V63-M67 WeakPolarHBondContact O-CG 3.3Å; V63-M67 PolarHBondContact O-N 2.99Å; G64-M67 PolarHBondContact O-N 3.43Å; C65-M67 VanDerWaalsContact C-N 3.34Å; C65-M67 PolarHBondContact O-N 3.2Å; M67-F69 VanDerWaalsContact C-N 3.32Å; M67-A70 PolarHBondContact O-N 3.35Å; M67-G71 PolarHBondContact O-N 2.91Å; M67-I96 HydrophobicContact CG-CD1 4.45Å
68I97.4Very high94.9Very high47 Ų4751.2 Ų51.224%0.24127%0.268CS..Hα-helixtrans-59.7-47.5172.7-69.2170.8000109.7A28 V29 I32 G64 C65 A70 G71 L72A28-I68 HydrophobicContact CB-CD1 4.43Å; A28-I68 HydrophobicContact CB-CG1 3.64Å; V29-I68 HydrophobicContact CG2-CD1 4.31Å; I32-I68 HydrophobicContact CD1-CD1 3.74Å; G64-I68 WeakPolarHBondContact O-CG1 3.34Å; G64-I68 PolarHBondContact O-N 3.21Å; C65-I68 PolarHBondContact O-N 2.87Å; I68-A70 PolarHBondContact O-N 3.37Å; I68-G71 PolarHBondContact O-N 2.93Å; I68-L72 HydrophobicContact CG2-CD1 4.06Å; I68-L72 HydrophobicContact CG2-CG 4.38Å; I68-L72 VanDerWaalsContact O-CG 3.32Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.91Å
69F96.2Very high95Very high130 Ų13050.6 Ų50.657%0.5727%0.273SS*.Hα-helixtrans-60.6-46.8178.2-174.9-104.8000111.8C65 I66 M67 G71 L72 L73C65-F69 PolarHBondContact O-N 3.31Å; I66-F69 PolarHBondContact O-N 3.22Å; M67-F69 VanDerWaalsContact C-N 3.32Å; F69-G71 PolarHBondContact O-N 3.44Å; F69-L72 PolarHBondContact O-N 3.4Å; F69-L73 HydrophobicContact CD1-CD1 4.07Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.72Å; F69-L73 HydrophobicContact CE1-CD2 4.4Å; F69-L73 HydrophobicContact CE1-CG 4.18Å; F69-L73 HydrophobicContact CZ-CD1 4.34Å; F69-L73 HydrophobicContact CZ-CD2 4.2Å; F69-L73 HydrophobicContact CZ-CG 4.41Å; F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 2.81Å
70A95.5Very high95.1Very high8 Ų853.1 Ų53.17%0.06628%0.281CS..Hα-helixtrans-59.1-45176.100000112.3I66 M67 I68 L72 L73 G74 F89 I96I66-A70 PolarHBondContact O-N 2.88Å; M67-A70 PolarHBondContact O-N 3.35Å; I68-A70 PolarHBondContact O-N 3.37Å; A70-L72 PolarHBondContact O-N 2.93Å; A70-L73 WeakPolarHBondContact O-CB 3.36Å; A70-L73 PolarHBondContact O-N 3.15Å; A70-G74 PolarHBondContact O-N 3.23Å; A70-G74 VanDerWaalsContact O-N 3.12Å; A70-F89 VanDerWaalsContact O-CD2 3.29Å; A70-F89 WeakPolarHBondContact O-CD2 3.45Å; A70-I96 HydrophobicContact CB-CD1 4.38Å
71G96.2Very high95.1Very high0 Ų052.4 Ų52.40%028%0.281CS..Hα-helixtrans-64.4-37.2176.600000113.1S21 M67 I68 F69 G74 L75S21-G71 WeakPolarHBondContact CB-O 3.46Å; M67-G71 PolarHBondContact O-N 2.91Å; I68-G71 PolarHBondContact O-N 2.93Å; F69-G71 PolarHBondContact O-N 3.44Å; G71-G74 PolarHBondContact O-N 2.96Å; G71-L75 PolarHBondContact O-N 3.01Å
72L96.7Very high95.2Very high62 Ų6251.5 Ų51.533%0.32528%0.276SS..Hα-helixtrans-63.6-40.7173.8-73.2175000111.6I25 I68 F69 A70 G74 L75 F76I25-L72 HydrophobicContact CD1-CD2 4.25Å; I25-L72 HydrophobicContact CD1-CG 4.45Å; I68-L72 HydrophobicContact CG2-CD1 4.06Å; I68-L72 HydrophobicContact CG2-CG 4.38Å; I68-L72 VanDerWaalsContact O-CG 3.32Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.91Å; F69-L72 PolarHBondContact O-N 3.4Å; A70-L72 PolarHBondContact O-N 2.93Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.45Å; L72-L75 PolarHBondContact O-N 3.44Å; L72-F76 HydrophobicContact CB-CD2 4.1Å; L72-F76 HydrophobicContact CB-CE2 4.02Å; L72-F76 HydrophobicContact CD2-CE2 4.12Å; L72-F76 WeakPolarHBondContact O-CB 3.46Å; L72-F76 WeakPolarHBondContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CG 3.41Å; L72-F76 PolarHBondContact O-N 3.45Å
73L96.3Very high95.3Very high28 Ų2849.2 Ų49.215%0.14727%0.265CS..Hα-helixtrans-59.1-44.6173.5-64.9174.7000111.3F69 A70 L75 F76 G77 V85 L88 F89F69-L73 HydrophobicContact CD1-CD1 4.07Å; F69-L73 HydrophobicContact CD1-CG 4.46Å; F69-L73 HydrophobicContact CE1-CD1 3.72Å; F69-L73 HydrophobicContact CE1-CD2 4.4Å; F69-L73 HydrophobicContact CE1-CG 4.18Å; F69-L73 HydrophobicContact CZ-CD1 4.34Å; F69-L73 HydrophobicContact CZ-CD2 4.2Å; F69-L73 HydrophobicContact CZ-CG 4.41Å; F69-L73 WeakPolarHBondContact O-CG 3.29Å; F69-L73 PolarHBondContact O-N 2.81Å; A70-L73 WeakPolarHBondContact O-CB 3.36Å; A70-L73 PolarHBondContact O-N 3.15Å; L73-L75 PolarHBondContact O-N 3.32Å; L73-F76 PolarHBondContact O-N 3.28Å; L73-G77 PolarHBondContact O-N 3.01Å; L73-V85 HydrophobicContact CB-CG1 4.16Å; L73-V85 HydrophobicContact CD2-CG1 4.15Å; L73-V85 WeakPolarHBondContact O-CG1 3.35Å; L73-L88 HydrophobicContact CD1-CD2 3.78Å; L73-L88 HydrophobicContact CD1-CG 3.96Å; L73-L88 HydrophobicContact CD2-CD2 4.35Å; L73-F89 HydrophobicContact CB-CB 4.36Å
74G95.9Very high95.4Very high0 Ų051.9 Ų51.90%028%0.277CS..Hα-helixtrans-60.4-42.8176.200000113.1S21 A70 G71 L72 S78 F89S21-G74 WeakPolarHBondContact OG-CA 3.41Å; A70-G74 PolarHBondContact O-N 3.23Å; A70-G74 VanDerWaalsContact O-N 3.12Å; G71-G74 PolarHBondContact O-N 2.96Å; L72-G74 VanDerWaalsContact C-N 3.33Å; L72-G74 PolarHBondContact O-N 3.45Å; G74-S78 VanDerWaalsContact O-CB 3.29Å; G74-S78 WeakPolarHBondContact O-CB 3.28Å; G74-S78 PolarHBondContact O-N 3.47Å; G74-S78 VanDerWaalsContact O-N 3.15Å; G74-S78 PolarHBondContact O-OG 3.01Å; G74-F89 VanDerWaalsContact CA-CD2 3.5Å
75L96.3Very high95.4Very high43 Ų4353.7 Ų53.723%0.22529%0.287CS..Hα-helixtrans-65.9-52.9176.3-177.463.7000112I18 G71 L72 L73 S78 C79I18-L75 HydrophobicContact CG1-CD1 4.26Å; I18-L75 HydrophobicContact CG2-CD1 3.94Å; G71-L75 PolarHBondContact O-N 3.01Å; L72-L75 PolarHBondContact O-N 3.44Å; L73-L75 PolarHBondContact O-N 3.32Å; L75-S78 PolarHBondContact O-N 3.27Å; L75-C79 WeakPolarHBondContact O-CB 3.47Å; L75-C79 PolarHBondContact O-N 3.43Å; L75-C79 PolarHBondContact O-SG 3.15Å; L75-C79 VanDerWaalsContact O-SG 3.33Å
76F95.6Very high95.4Very high111 Ų11150.4 Ų50.449%0.48727%0.265SS..Hα-helixtrans-63.6-45-179.1-75.2-58.8000111.7L72 L73 S78 C79 L80L72-F76 HydrophobicContact CB-CD2 4.1Å; L72-F76 HydrophobicContact CB-CE2 4.02Å; L72-F76 HydrophobicContact CD2-CE2 4.12Å; L72-F76 WeakPolarHBondContact O-CB 3.46Å; L72-F76 WeakPolarHBondContact O-CD2 3.31Å; L72-F76 WeakPolarHBondContact O-CG 3.41Å; L72-F76 PolarHBondContact O-N 3.45Å; L73-F76 PolarHBondContact O-N 3.28Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 2.98Å; F76-C79 PolarHBondContact O-N 3.05Å; F76-L80 HydrophobicContact CB-CD1 4.33Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.28Å; F76-L80 PolarHBondContact O-N 3.46Å
77G94.4Very high95.4Very high0 Ų049.1 Ų49.10%026%0.264CS..Hα-helixtrans-60.1-40.9177.500000112L73 N81 S82 L86L73-G77 PolarHBondContact O-N 3.01Å; G77-N81 VanDerWaalsContact O-CA 3.29Å; G77-N81 WeakPolarHBondContact O-CA 3.33Å; G77-N81 PolarHBondContact O-N 3.02Å; G77-S82 PolarHBondContact O-N 3.28Å; G77-S82 VanDerWaalsContact O-N 3.15Å; G77-L86 WeakPolarHBondContact O-CD1 3.31Å
78S94.1Very high95.5Very high4 Ų453 Ų533%0.02829%0.285CS..Hα-helixtrans-70.7-38.8179.4-61.40000113V17 G74 L75 F76V17-S78 WeakPolarHBondContact CG1-OG 3.45Å; G74-S78 VanDerWaalsContact O-CB 3.29Å; G74-S78 WeakPolarHBondContact O-CB 3.28Å; G74-S78 PolarHBondContact O-N 3.47Å; G74-S78 VanDerWaalsContact O-N 3.15Å; G74-S78 PolarHBondContact O-OG 3.01Å; L75-S78 PolarHBondContact O-N 3.27Å; F76-S78 VanDerWaalsContact C-N 3.3Å; F76-S78 PolarHBondContact O-N 2.98Å
79C93.3Very high95.4Very high76 Ų7650.8 Ų50.851%0.51427%0.274SS..Hα-helixtrans-73.6-44.1178.3-71.70000112L75 F76 N81L75-C79 WeakPolarHBondContact O-CB 3.47Å; L75-C79 PolarHBondContact O-N 3.43Å; L75-C79 PolarHBondContact O-SG 3.15Å; L75-C79 VanDerWaalsContact O-SG 3.33Å; F76-C79 PolarHBondContact O-N 3.05Å; C79-N81 VanDerWaalsContact C-N 3.31Å
80L93.6Very high95.5Very high124 Ų12445 Ų4565%0.64925%0.249SC*.Hα-helixtrans-82.7-8.4-178-60175.4000113F76 S82F76-L80 HydrophobicContact CB-CD1 4.33Å; F76-L80 WeakPolarHBondContact O-CB 3.47Å; F76-L80 VanDerWaalsContact O-CG 3.25Å; F76-L80 WeakPolarHBondContact O-CG 3.28Å; F76-L80 PolarHBondContact O-N 3.46Å; L80-S82 PolarHBondContact O-N 2.8Å
81N92.4Very high95.6Very high56 Ų5648.7 Ų48.730%0.29927%0.271SS..THydrogen-bonded Turntrans5338.9-172.5-54.8-68.5000112.5R14 G77 C79 I216R14-N81 PolarHBondContact NE-OD1 3.44Å; R14-N81 PolarHBondContact NH1-OD1 3.01Å; R14-N81 PolarHBondContact NH2-OD1 2.85Å; G77-N81 VanDerWaalsContact O-CA 3.29Å; G77-N81 WeakPolarHBondContact O-CA 3.33Å; G77-N81 PolarHBondContact O-N 3.02Å; C79-N81 VanDerWaalsContact C-N 3.31Å; N81-I216 HydrophobicContact CB-CD1 3.86Å; N81-I216 HydrophobicContact CB-CG1 4.32Å
82S94.9Very high95.5Very high35 Ų3549.8 Ų49.825%0.24528%0.282CS..  trans-88.6118.9177.8175.10000110.1G77 L80 V85 L86G77-S82 PolarHBondContact O-N 3.28Å; G77-S82 VanDerWaalsContact O-N 3.15Å; L80-S82 PolarHBondContact O-N 2.8Å; S82-V85 WeakPolarHBondContact OG-CG2 3.39Å; S82-L86 PolarHBondContact O-N 3.45Å
83I95.6Very high95.5Very high54 Ų5446.9 Ų46.928%0.27727%0.267SS..Hα-helixtrans-63-47.3178.9-64.6168.2000110.4V85 L86 C87 A213 I216 D217I83-V85 VanDerWaalsContact C-N 3.34Å; I83-V85 PolarHBondContact O-N 3.01Å; I83-L86 WeakPolarHBondContact O-CB 3.49Å; I83-L86 PolarHBondContact O-N 3.05Å; I83-C87 PolarHBondContact O-N 2.95Å; I83-A213 HydrophobicContact CG2-CB 4.26Å; I83-I216 HydrophobicContact CD1-CB 4.3Å; I83-I216 HydrophobicContact CD1-CG2 3.92Å; I83-I216 HydrophobicContact CG1-CB 3.95Å; I83-I216 HydrophobicContact CG1-CG2 3.71Å; I83-D217 HydrophobicContact CD1-CB 3.83Å
84D96.1Very high95.6Very high130 Ų13051.4 Ų51.470%0.69529%0.286SS*.Hα-helixtrans-61.2-42.8-176.8-60.5-34000112C87 L88D84-C87 WeakPolarHBondContact O-CB 3.47Å; D84-C87 PolarHBondContact O-N 3Å; D84-L88 PolarHBondContact O-N 3.39Å
85V96.2Very high95.6Very high37 Ų3754.2 Ų54.222%0.22431%0.306CS..Hα-helixtrans-67.5-37.9178.6179.50000111.3L73 S82 I83 L88 F89L73-V85 HydrophobicContact CB-CG1 4.16Å; L73-V85 HydrophobicContact CD2-CG1 4.15Å; L73-V85 WeakPolarHBondContact O-CG1 3.35Å; S82-V85 WeakPolarHBondContact OG-CG2 3.39Å; I83-V85 VanDerWaalsContact C-N 3.34Å; I83-V85 PolarHBondContact O-N 3.01Å; V85-L88 PolarHBondContact O-N 3.39Å; V85-F89 WeakPolarHBondContact O-CB 3.29Å; V85-F89 PolarHBondContact O-N 3.27Å
86L95.7Very high95.5Very high0 Ų053.7 Ų53.70%030%0.303CS..Hα-helixtrans-64.6-38.8173.7-108.558000112.5G77 S82 I83 S90 S209 L212 A213 I216G77-L86 WeakPolarHBondContact O-CD1 3.31Å; S82-L86 PolarHBondContact O-N 3.45Å; I83-L86 WeakPolarHBondContact O-CB 3.49Å; I83-L86 PolarHBondContact O-N 3.05Å; L86-S90 PolarHBondContact O-N 3.48Å; L86-S90 PolarHBondContact O-OG 3.29Å; L86-S209 WeakPolarHBondContact CD2-O 3.46Å; L86-L212 HydrophobicContact CD2-CB 3.95Å; L86-L212 HydrophobicContact CD2-CD2 3.83Å; L86-L212 HydrophobicContact CD2-CG 3.71Å; L86-A213 HydrophobicContact CB-CB 4.26Å; L86-A213 HydrophobicContact CD2-CB 4.11Å; L86-I216 HydrophobicContact CD2-CD1 4.32Å
87C96.4Very high95.6Very high73 Ų7349.2 Ų49.249%0.49328%0.284SS..Hα-helixtrans-64.5-47.8175.8-169.40000110.5I83 D84 F89 S90 V91I83-C87 PolarHBondContact O-N 2.95Å; D84-C87 WeakPolarHBondContact O-CB 3.47Å; D84-C87 PolarHBondContact O-N 3Å; C87-F89 VanDerWaalsContact C-N 3.33Å; C87-F89 PolarHBondContact O-N 3.44Å; C87-S90 WeakPolarHBondContact O-CB 3.39Å; C87-S90 PolarHBondContact O-N 3.47Å; C87-V91 WeakPolarHBondContact O-CG2 3.42Å; C87-V91 PolarHBondContact O-N 2.9Å
88L96.3Very high95.7Very high95 Ų9553.9 Ų53.950%0.49731%0.307SS..Hα-helixtrans-60-42.2176.7-175.562.2000112.2L73 D84 V85 S90 V91 G92L73-L88 HydrophobicContact CD1-CD2 3.78Å; L73-L88 HydrophobicContact CD1-CG 3.96Å; L73-L88 HydrophobicContact CD2-CD2 4.35Å; D84-L88 PolarHBondContact O-N 3.39Å; V85-L88 PolarHBondContact O-N 3.39Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 2.88Å; L88-V91 PolarHBondContact O-N 2.95Å; L88-G92 PolarHBondContact O-N 3.39Å
89F96.5Very high95.8Very high1 Ų158 Ų580%0.00433%0.332CS..Hα-helixtrans-57.1-45.4172.6169.3-110.1000111.9V17 A70 L73 G74 V85 C87 G92 L93 A205V17-F89 HydrophobicContact CG1-CE1 3.91Å; V17-F89 HydrophobicContact CG1-CZ 4.4Å; A70-F89 VanDerWaalsContact O-CD2 3.29Å; A70-F89 WeakPolarHBondContact O-CD2 3.45Å; L73-F89 HydrophobicContact CB-CB 4.36Å; G74-F89 VanDerWaalsContact CA-CD2 3.5Å; V85-F89 WeakPolarHBondContact O-CB 3.29Å; V85-F89 PolarHBondContact O-N 3.27Å; C87-F89 VanDerWaalsContact C-N 3.33Å; C87-F89 PolarHBondContact O-N 3.44Å; F89-G92 PolarHBondContact O-N 3.28Å; F89-L93 HydrophobicContact CD1-CD1 4.48Å; F89-L93 HydrophobicContact CD2-CD2 4.48Å; F89-L93 HydrophobicContact CD2-CG 4.19Å; F89-L93 HydrophobicContact CE1-CD1 3.71Å; F89-L93 HydrophobicContact CE1-CG 4.32Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.9Å; F89-L93 HydrophobicContact CE2-CG 3.77Å; F89-L93 HydrophobicContact CZ-CD1 3.32Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 3.87Å; F89-L93 PolarHBondContact O-N 2.89Å; F89-A205 HydrophobicContact CE1-CB 4.34Å; F89-A205 HydrophobicContact CZ-CB 4.29Å
90S97.2Very high95.9Very high9 Ų955.5 Ų55.56%0.06331%0.313CS..Hα-helixtrans-64.7-43.4-178.9-52.70000112.1L86 C87 L88 G92 L93 F94 S209L86-S90 PolarHBondContact O-N 3.48Å; L86-S90 PolarHBondContact O-OG 3.29Å; C87-S90 WeakPolarHBondContact O-CB 3.39Å; C87-S90 PolarHBondContact O-N 3.47Å; L88-S90 VanDerWaalsContact C-N 3.32Å; L88-S90 PolarHBondContact O-N 2.88Å; S90-G92 VanDerWaalsContact C-N 3.33Å; S90-L93 PolarHBondContact O-N 3.21Å; S90-F94 WeakPolarHBondContact O-CB 3.45Å; S90-F94 PolarHBondContact O-N 3.37Å; S90-S209 PolarHBondContact OG-OG 3.33Å
91V97.1Very high96Very high84 Ų8454 Ų5451%0.50931%0.305SS..Hα-helixtrans-63.7-40.3174.4175.40000111C87 L88 F94 S95C87-V91 WeakPolarHBondContact O-CG2 3.42Å; C87-V91 PolarHBondContact O-N 2.9Å; L88-V91 PolarHBondContact O-N 2.95Å; V91-F94 PolarHBondContact O-N 3.13Å; V91-S95 PolarHBondContact O-N 2.98Å; V91-S95 PolarHBondContact O-OG 3.43Å
92G95Very high96.2Very high24 Ų2453 Ų5325%0.24731%0.307CS..Hα-helixtrans-60-50.8175.300000112.6L88 F89 S90 F94 S95 I96L88-G92 PolarHBondContact O-N 3.39Å; F89-G92 PolarHBondContact O-N 3.28Å; S90-G92 VanDerWaalsContact C-N 3.33Å; G92-F94 PolarHBondContact O-N 3.04Å; G92-S95 WeakPolarHBondContact O-CB 3.4Å; G92-S95 PolarHBondContact O-N 3.42Å; G92-S95 VanDerWaalsContact O-N 3.15Å; G92-I96 WeakPolarHBondContact O-CG1 3.35Å; G92-I96 PolarHBondContact O-N 3.41Å
93L96.9Very high96.1Very high0 Ų055.1 Ų55.10%032%0.319CS..Hα-helixtrans-62.6-41.2177.3-68.2-163.8000112.4I24 F89 S90 S95 I96 I97 E202 A205 I206I24-L93 HydrophobicContact CD1-CD1 4.35Å; I24-L93 HydrophobicContact CD1-CD2 3.67Å; F89-L93 HydrophobicContact CD1-CD1 4.48Å; F89-L93 HydrophobicContact CD2-CD2 4.48Å; F89-L93 HydrophobicContact CD2-CG 4.19Å; F89-L93 HydrophobicContact CE1-CD1 3.71Å; F89-L93 HydrophobicContact CE1-CG 4.32Å; F89-L93 HydrophobicContact CE2-CD1 3.76Å; F89-L93 HydrophobicContact CE2-CD2 3.9Å; F89-L93 HydrophobicContact CE2-CG 3.77Å; F89-L93 HydrophobicContact CZ-CD1 3.32Å; F89-L93 HydrophobicContact CZ-CD2 4.32Å; F89-L93 HydrophobicContact CZ-CG 3.87Å; F89-L93 PolarHBondContact O-N 2.89Å; S90-L93 PolarHBondContact O-N 3.21Å; L93-S95 PolarHBondContact O-N 2.94Å; L93-I96 HydrophobicContact CD2-CD1 4.16Å; L93-I96 PolarHBondContact O-N 3.41Å; L93-I96 VanDerWaalsContact O-N 3.09Å; L93-I97 WeakPolarHBondContact O-CG1 3.45Å; L93-I97 PolarHBondContact O-N 3.17Å; L93-E202 HydrophobicContact CD1-CB 4.47Å; L93-A205 HydrophobicContact CD1-CB 3.67Å; L93-I206 HydrophobicContact CB-CD1 3.72Å; L93-I206 HydrophobicContact CB-CG1 3.64Å; L93-I206 HydrophobicContact CD1-CG1 4.02Å; L93-I206 HydrophobicContact CG-CG1 4.42Å
94F97.2Very high96.1Very high123 Ų12353.9 Ų53.954%0.53932%0.32SS..Hα-helixtrans-59.1-38.8175.3-177.5-105.8000111.8S90 V91 G92 I97 I98 I206S90-F94 WeakPolarHBondContact O-CB 3.45Å; S90-F94 PolarHBondContact O-N 3.37Å; V91-F94 PolarHBondContact O-N 3.13Å; G92-F94 PolarHBondContact O-N 3.04Å; F94-I97 PolarHBondContact O-N 3.09Å; F94-I98 HydrophobicContact CD1-CD1 4.07Å; F94-I98 HydrophobicContact CE1-CD1 3.62Å; F94-I98 HydrophobicContact CE1-CG1 4.45Å; F94-I98 HydrophobicContact CZ-CD1 4.09Å; F94-I98 WeakPolarHBondContact O-CG1 3.08Å; F94-I98 PolarHBondContact O-N 3.13Å; F94-I206 HydrophobicContact CB-CD1 4.28Å
95S95.9Very high96Very high60 Ų6052.8 Ų52.842%0.4231%0.313SS..Hα-helixtrans-65.4-39.3175-52.30000112V91 G92 L93 I98 V99V91-S95 PolarHBondContact O-N 2.98Å; V91-S95 PolarHBondContact O-OG 3.43Å; G92-S95 WeakPolarHBondContact O-CB 3.4Å; G92-S95 PolarHBondContact O-N 3.42Å; G92-S95 VanDerWaalsContact O-N 3.15Å; L93-S95 PolarHBondContact O-N 2.94Å; S95-I98 PolarHBondContact O-N 3.34Å; S95-V99 WeakPolarHBondContact O-CG2 3.5Å; S95-V99 PolarHBondContact O-N 3.03Å; S95-V99 VanDerWaalsContact O-N 3.13Å
96I95.4Very high95.9Very high32 Ų3254.5 Ų54.516%0.16432%0.324CS..Hα-helixtrans-64-42.2175.8-64.8168.7000110.9M67 A70 G92 L93 I98 V99 Q100 F198 E202M67-I96 HydrophobicContact CG-CD1 4.45Å; A70-I96 HydrophobicContact CB-CD1 4.38Å; G92-I96 WeakPolarHBondContact O-CG1 3.35Å; G92-I96 PolarHBondContact O-N 3.41Å; L93-I96 HydrophobicContact CD2-CD1 4.16Å; L93-I96 PolarHBondContact O-N 3.41Å; L93-I96 VanDerWaalsContact O-N 3.09Å; I96-I98 VanDerWaalsContact C-N 3.3Å; I96-I98 PolarHBondContact O-N 3.3Å; I96-V99 CarbonylContact O-C 3.59Å; I96-V99 PolarHBondContact O-N 3.45Å; I96-V99 VanDerWaalsContact O-N 3.12Å; I96-Q100 WeakPolarHBondContact O-CB 3.38Å; I96-Q100 PolarHBondContact O-N 3.13Å; I96-F198 HydrophobicContact CG2-CE1 4.47Å; I96-E202 WeakPolarHBondContact CG2-OE1 3.03Å
97I97.5Very high95.7Very high17 Ų1757.4 Ų57.49%0.08734%0.343CS..Hα-helixtrans-55.7-46175-68.5170000110.8L93 F94 V99 Q100 L101 I199 E202 V203 I206L93-I97 WeakPolarHBondContact O-CG1 3.45Å; L93-I97 PolarHBondContact O-N 3.17Å; F94-I97 PolarHBondContact O-N 3.09Å; I97-V99 VanDerWaalsContact C-N 3.34Å; I97-V99 PolarHBondContact O-N 3.31Å; I97-Q100 PolarHBondContact O-N 3.15Å; I97-L101 HydrophobicContact CG2-CD1 4.08Å; I97-L101 HydrophobicContact CG2-CG 4.43Å; I97-L101 WeakPolarHBondContact O-CG 3.35Å; I97-L101 PolarHBondContact O-N 3.43Å; I97-I199 HydrophobicContact CG2-CG2 4.48Å; I97-E202 HydrophobicContact CD1-CB 3.96Å; I97-E202 HydrophobicContact CG1-CB 4.02Å; I97-E202 WeakPolarHBondContact CG1-OE2 3.45Å; I97-V203 HydrophobicContact CD1-CG2 3.86Å; I97-I206 HydrophobicContact CD1-CD1 3.72Å
98I97.2Very high95.5Very high97 Ų9757.4 Ų57.450%0.49734%0.338SS..Hα-helixtrans-60.8-45.3178.6-65.5172.2000110.7F94 S95 I96 Q100 L101 G102F94-I98 HydrophobicContact CD1-CD1 4.07Å; F94-I98 HydrophobicContact CE1-CD1 3.62Å; F94-I98 HydrophobicContact CE1-CG1 4.45Å; F94-I98 HydrophobicContact CZ-CD1 4.09Å; F94-I98 WeakPolarHBondContact O-CG1 3.08Å; F94-I98 PolarHBondContact O-N 3.13Å; S95-I98 PolarHBondContact O-N 3.34Å; I96-I98 VanDerWaalsContact C-N 3.3Å; I96-I98 PolarHBondContact O-N 3.3Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.37Å; I98-L101 PolarHBondContact O-N 2.79Å; I98-G102 PolarHBondContact O-N 3.33Å
99V95.2Very high95.4Very high91 Ų9156 Ų5655%0.55234%0.335SS*.Hα-helixtrans-63.4-40177.3173.20000111S95 I96 I97 G102 T103S95-V99 WeakPolarHBondContact O-CG2 3.5Å; S95-V99 PolarHBondContact O-N 3.03Å; S95-V99 VanDerWaalsContact O-N 3.13Å; I96-V99 CarbonylContact O-C 3.59Å; I96-V99 PolarHBondContact O-N 3.45Å; I96-V99 VanDerWaalsContact O-N 3.12Å; I97-V99 VanDerWaalsContact C-N 3.34Å; I97-V99 PolarHBondContact O-N 3.31Å; V99-G102 PolarHBondContact O-N 3.01Å; V99-T103 HydrophobicContact CG1-CG2 4.17Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 VanDerWaalsContact O-CG2 3.27Å; V99-T103 WeakPolarHBondContact O-CG2 3.23Å; V99-T103 PolarHBondContact O-N 3.17Å; V99-T103 PolarHBondContact O-OG1 3.39Å
100Q94.7Very high95Very high23 Ų2363.6 Ų63.611%0.10737%0.365CS..Hα-helixtrans-65.7-41.2179-172.8172.30.600112.4I96 I97 I98 T103 G104 S195 I199 E202I96-Q100 WeakPolarHBondContact O-CB 3.38Å; I96-Q100 PolarHBondContact O-N 3.13Å; I97-Q100 PolarHBondContact O-N 3.15Å; I98-Q100 VanDerWaalsContact C-N 3.32Å; I98-Q100 PolarHBondContact O-N 3.37Å; Q100-T103 WeakPolarHBondContact CA-OG1 3.48Å; Q100-T103 PolarHBondContact O-OG1 2.9Å; Q100-G104 PolarHBondContact O-N 2.94Å; Q100-S195 WeakPolarHBondContact CG-OG 3.08Å; Q100-S195 PolarHBondContact NE2-O 3.45Å; Q100-S195 PolarHBondContact NE2-OG 2.92Å; Q100-I199 VanDerWaalsContact CD-CG1 3.45Å; Q100-I199 HydrophobicContact CG-CD1 4.2Å; Q100-I199 HydrophobicContact CG-CG1 4.23Å; Q100-I199 VanDerWaalsContact OE1-CG1 3.3Å; Q100-E202 PolarHBondContact OE1-OE2 3.43Å
101L96.3Very high94.7Very high94 Ų9464.6 Ų64.649%0.49237%0.368SS..Hα-helixtrans-64.8-45.9173.1-68174.3000111.2I97 I98 G104 I105 I199I97-L101 HydrophobicContact CG2-CD1 4.08Å; I97-L101 HydrophobicContact CG2-CG 4.43Å; I97-L101 WeakPolarHBondContact O-CG 3.35Å; I97-L101 PolarHBondContact O-N 3.43Å; I98-L101 PolarHBondContact O-N 2.79Å; L101-G104 PolarHBondContact O-N 3.12Å; L101-I105 WeakPolarHBondContact O-CG1 3.04Å; L101-I105 PolarHBondContact O-N 3.34Å; L101-I199 HydrophobicContact CD2-CD1 3.89Å; L101-I199 HydrophobicContact CG-CD1 4.44Å
102G96.1Very high94.3Very high33 Ų3365.4 Ų65.434%0.3437%0.369SS..Hα-helixtrans-62.5-43.7178.600000113.3I98 V99 T106I98-G102 PolarHBondContact O-N 3.33Å; V99-G102 PolarHBondContact O-N 3.01Å; G102-T106 WeakPolarHBondContact O-CB 3.33Å; G102-T106 PolarHBondContact O-N 3.24Å; G102-T106 PolarHBondContact O-OG1 2.79Å
103T93.6Very high94.1Very high81 Ų8170.8 Ų70.850%0.49739%0.385SS..Hα-helixtrans-66.8-39175.451.80000111.7V99 Q100 T106 C107V99-T103 HydrophobicContact CG1-CG2 4.17Å; V99-T103 WeakPolarHBondContact O-CB 3.46Å; V99-T103 VanDerWaalsContact O-CG2 3.27Å; V99-T103 WeakPolarHBondContact O-CG2 3.23Å; V99-T103 PolarHBondContact O-N 3.17Å; V99-T103 PolarHBondContact O-OG1 3.39Å; Q100-T103 WeakPolarHBondContact CA-OG1 3.48Å; Q100-T103 PolarHBondContact O-OG1 2.9Å; T103-T106 PolarHBondContact O-N 2.92Å; T103-C107 VanDerWaalsContact O-CB 3.24Å; T103-C107 WeakPolarHBondContact O-CB 3.4Å; T103-C107 PolarHBondContact O-N 2.74Å
104G94.8Very high93.6Very high28 Ų2874.7 Ų74.729%0.28941%0.406SS..Hα-helixtrans-59.6-49.417400000112.9Q100 L101 T106 C107 L108Q100-G104 PolarHBondContact O-N 2.94Å; L101-G104 PolarHBondContact O-N 3.12Å; G104-T106 PolarHBondContact O-N 2.94Å; G104-C107 PolarHBondContact O-N 3.35Å; G104-L108 WeakPolarHBondContact O-CG 3.31Å; G104-L108 PolarHBondContact O-N 2.87Å
105I95.3Very high93.1Very high107 Ų10771.5 Ų71.555%0.54939%0.39SS..Hα-helixtrans-60.6-47176-65.4164.5000110.4L101 C107 L108 C109L101-I105 WeakPolarHBondContact O-CG1 3.04Å; L101-I105 PolarHBondContact O-N 3.34Å; I105-C107 VanDerWaalsContact C-N 3.35Å; I105-C107 PolarHBondContact O-N 2.95Å; I105-L108 WeakPolarHBondContact O-CB 3.37Å; I105-L108 PolarHBondContact O-N 2.99Å; I105-C109 PolarHBondContact O-N 2.9Å; I105-C109 PolarHBondContact O-SG 3.39Å; I105-C109 VanDerWaalsContact O-SG 3.39Å
106T93.4Very high92.7Very high73 Ų7374.3 Ų74.345%0.44840%0.401SS..Hα-helixtrans-59.6-45.9179.3-60.10000111.2G102 T103 G104 L108 C109 Y110G102-T106 WeakPolarHBondContact O-CB 3.33Å; G102-T106 PolarHBondContact O-N 3.24Å; G102-T106 PolarHBondContact O-OG1 2.79Å; T103-T106 PolarHBondContact O-N 2.92Å; G104-T106 PolarHBondContact O-N 2.94Å; T106-L108 PolarHBondContact O-N 3.36Å; T106-C109 PolarHBondContact O-N 3.37Å; T106-Y110 HydrophobicContact CG2-CD2 3.62Å; T106-Y110 HydrophobicContact CG2-CE2 3.44Å; T106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; T106-Y110 WeakPolarHBondContact O-CD2 3.34Å; T106-Y110 PolarHBondContact O-N 3.31Å
107C91.8Very high92.4Very high60 Ų6076.5 Ų76.541%0.40541%0.413SS..Hα-helixtrans-59.1-45.4176.7-176.80000111.8T103 G104 I105 C109 Y110 H111T103-C107 VanDerWaalsContact O-CB 3.24Å; T103-C107 WeakPolarHBondContact O-CB 3.4Å; T103-C107 PolarHBondContact O-N 2.74Å; G104-C107 PolarHBondContact O-N 3.35Å; I105-C107 VanDerWaalsContact C-N 3.35Å; I105-C107 PolarHBondContact O-N 2.95Å; C107-C109 PolarHBondContact O-N 3.13Å; C107-Y110 PolarHBondContact O-N 2.87Å; C107-H111 WeakPolarHBondContact O-CB 3.49Å; C107-H111 PolarHBondContact O-N 3.04Å
108L92.7Very high92.1Very high73 Ų7376.2 Ų76.238%0.38241%0.411SS..Hα-helixtrans-60-45.9176.4-75.3166.8000112.2G104 I105 T106 Y110 H111 I112 L188 I192G104-L108 WeakPolarHBondContact O-CG 3.31Å; G104-L108 PolarHBondContact O-N 2.87Å; I105-L108 WeakPolarHBondContact O-CB 3.37Å; I105-L108 PolarHBondContact O-N 2.99Å; T106-L108 PolarHBondContact O-N 3.36Å; L108-Y110 PolarHBondContact O-N 3.44Å; L108-H111 WeakPolarHBondContact O-CB 3.3Å; L108-H111 PolarHBondContact O-N 3.03Å; L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 3.45Å; L108-I112 VanDerWaalsContact O-N 3.12Å; L108-L188 HydrophobicContact CD2-CD1 4.2Å; L108-L188 HydrophobicContact CD2-CD2 3.83Å; L108-L188 HydrophobicContact CD2-CG 4.45Å; L108-I192 HydrophobicContact CD2-CD1 4.08Å
109C93.3Very high91.9Very high65 Ų6574.5 Ų74.544%0.43940%0.401SS..Hα-helixtrans-63-41.9177-67.70000112.5I105 T106 C107 I112 K113I105-C109 PolarHBondContact O-N 2.9Å; I105-C109 PolarHBondContact O-SG 3.39Å; I105-C109 VanDerWaalsContact O-SG 3.39Å; T106-C109 PolarHBondContact O-N 3.37Å; C107-C109 PolarHBondContact O-N 3.13Å; C109-I112 PolarHBondContact O-N 3.33Å; C109-K113 PolarHBondContact O-N 3.26Å
110Y88.9Confident91.8Very high162 Ų16274.5 Ų74.564%0.63540%0.397SS*.Hα-helixtrans-65.3-40.2176.1-85.5-69.2000112.3T106 C107 L108 I112 K113 L114T106-Y110 HydrophobicContact CG2-CD2 3.62Å; T106-Y110 HydrophobicContact CG2-CE2 3.44Å; T106-Y110 VanDerWaalsContact CG2-CE2 3.44Å; T106-Y110 WeakPolarHBondContact O-CD2 3.34Å; T106-Y110 PolarHBondContact O-N 3.31Å; C107-Y110 PolarHBondContact O-N 2.87Å; L108-Y110 PolarHBondContact O-N 3.44Å; Y110-I112 PolarHBondContact O-N 3.36Å; Y110-K113 PolarHBondContact O-N 3.1Å; Y110-L114 VanDerWaalsContact O-CB 3.24Å; Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 3.27Å
111H89.4Confident91.7Very high29 Ų2977.2 Ų77.213%0.13441%0.413CS..Hα-helixtrans-58.5-47.8177.4-175.5-109.3000110.9C107 L108 K113 L114 W115 S184 L188C107-H111 WeakPolarHBondContact O-CB 3.49Å; C107-H111 PolarHBondContact O-N 3.04Å; L108-H111 WeakPolarHBondContact O-CB 3.3Å; L108-H111 PolarHBondContact O-N 3.03Å; H111-K113 PolarHBondContact O-N 3.32Å; H111-L114 PolarHBondContact O-N 2.96Å; H111-W115 AromaticContact CD2-CE2 3.78Å; H111-W115 AromaticContact CD2-CZ2 3.66Å; H111-W115 AromaticContact CD2-NE1 3.65Å; H111-W115 AromaticContact CE1-CE2 3.34Å; H111-W115 AromaticContact CE1-CZ2 3.29Å; H111-W115 WeakPolarHBondContact CE1-CZ2 3.3Å; H111-W115 AromaticContact CE1-NE1 2.87Å; H111-W115 PolarHBondContact CE1-NE1 3.39Å; H111-W115 AromaticContact CG-CE2 3.97Å; H111-W115 AromaticContact CG-NE1 3.36Å; H111-W115 AromaticContact ND1-CD1 3.75Å; H111-W115 AromaticContact ND1-CE2 3.7Å; H111-W115 AromaticContact ND1-NE1 2.85Å; H111-W115 PolarHBondContact ND1-NE1 2.98Å; H111-W115 AromaticContact NE2-CE2 3.4Å; H111-W115 AromaticContact NE2-CZ2 2.98Å; H111-W115 WeakPolarHBondContact NE2-CZ2 3.26Å; H111-W115 AromaticContact NE2-NE1 3.39Å; H111-W115 PolarHBondContact NE2-NE1 2.97Å; H111-W115 VanDerWaalsContact O-CG 3.27Å; H111-W115 PolarHBondContact O-N 3Å; H111-W115 VanDerWaalsContact O-N 3.08Å; H111-W115 PolarHBondContact O-NE1 3.46Å; H111-S184 PolarHBondContact CD2-OG 2.83Å; H111-S184 PolarHBondContact NE2-OG 3.37Å; H111-L188 HydrophobicContact CB-CD2 4.31Å; H111-L188 WeakPolarHBondContact CE1-CD2 3.43Å; H111-L188 VanDerWaalsContact ND1-CD2 3.29Å; H111-L188 WeakPolarHBondContact ND1-CD2 3.46Å
112I89.8Confident91.7Very high101 Ų10173.3 Ų73.352%0.51839%0.392SS..Hα-helixtrans-57.4-51.5176.4-64164.6000111.3L108 C109 Y110 L114 W115 D116L108-I112 WeakPolarHBondContact O-CG1 3.49Å; L108-I112 PolarHBondContact O-N 3.45Å; L108-I112 VanDerWaalsContact O-N 3.12Å; C109-I112 PolarHBondContact O-N 3.33Å; Y110-I112 PolarHBondContact O-N 3.36Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.43Å; I112-W115 WeakPolarHBondContact O-CB 3.36Å; I112-W115 PolarHBondContact O-N 3.31Å; I112-D116 PolarHBondContact O-N 3.45Å
113K90Very high91.7Very high137 Ų13776.1 Ų76.160%0.59640%0.395SS*.Hα-helixtrans-64.1-34.3179.6-70.5179.6178.9-179.10113.6C109 Y110 H111 W115 N117C109-K113 PolarHBondContact O-N 3.26Å; Y110-K113 PolarHBondContact O-N 3.1Å; H111-K113 PolarHBondContact O-N 3.32Å; K113-W115 VanDerWaalsContact C-N 3.32Å; K113-N117 PolarHBondContact O-ND2 3.04Å
114L86.8Confident91.7Very high83 Ų8378.2 Ų78.244%0.43540%0.397SS..Hα-helixtrans-65.6-40.2177.9-177.364.7000110Y110 H111 I112 N117 L118Y110-L114 VanDerWaalsContact O-CB 3.24Å; Y110-L114 WeakPolarHBondContact O-CB 3.43Å; Y110-L114 PolarHBondContact O-N 3.27Å; H111-L114 PolarHBondContact O-N 2.96Å; I112-L114 VanDerWaalsContact C-N 3.31Å; I112-L114 PolarHBondContact O-N 3.43Å; L114-N117 CarbonylContact O-C 3.51Å; L114-N117 PolarHBondContact O-N 3.13Å; L114-L118 WeakPolarHBondContact O-CA 3.44Å; L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.43Å
115W86.7Confident91.7Very high55 Ų5577.9 Ų77.921%0.20839%0.392CS..Hα-helixtrans-60.6-46.8177.8-63.6131.4000113.7H111 I112 K113 N117 L118 N181 S184H111-W115 AromaticContact CD2-CE2 3.78Å; H111-W115 AromaticContact CD2-CZ2 3.66Å; H111-W115 AromaticContact CD2-NE1 3.65Å; H111-W115 AromaticContact CE1-CE2 3.34Å; H111-W115 AromaticContact CE1-CZ2 3.29Å; H111-W115 WeakPolarHBondContact CE1-CZ2 3.3Å; H111-W115 AromaticContact CE1-NE1 2.87Å; H111-W115 PolarHBondContact CE1-NE1 3.39Å; H111-W115 AromaticContact CG-CE2 3.97Å; H111-W115 AromaticContact CG-NE1 3.36Å; H111-W115 AromaticContact ND1-CD1 3.75Å; H111-W115 AromaticContact ND1-CE2 3.7Å; H111-W115 AromaticContact ND1-NE1 2.85Å; H111-W115 PolarHBondContact ND1-NE1 2.98Å; H111-W115 AromaticContact NE2-CE2 3.4Å; H111-W115 AromaticContact NE2-CZ2 2.98Å; H111-W115 WeakPolarHBondContact NE2-CZ2 3.26Å; H111-W115 AromaticContact NE2-NE1 3.39Å; H111-W115 PolarHBondContact NE2-NE1 2.97Å; H111-W115 VanDerWaalsContact O-CG 3.27Å; H111-W115 PolarHBondContact O-N 3Å; H111-W115 VanDerWaalsContact O-N 3.08Å; H111-W115 PolarHBondContact O-NE1 3.46Å; I112-W115 WeakPolarHBondContact O-CB 3.36Å; I112-W115 PolarHBondContact O-N 3.31Å; K113-W115 VanDerWaalsContact C-N 3.32Å; W115-N117 PolarHBondContact O-N 3.37Å; W115-N117 VanDerWaalsContact O-N 3.12Å; W115-L118 HydrophobicContact CE3-CB 4.46Å; W115-L118 HydrophobicContact CE3-CD2 3.5Å; W115-L118 VanDerWaalsContact CE3-CD2 3.5Å; W115-L118 HydrophobicContact CZ3-CD2 3.38Å; W115-L118 WeakPolarHBondContact O-CB 3.41Å; W115-L118 PolarHBondContact O-N 3.27Å; W115-L118 VanDerWaalsContact O-N 3.08Å; W115-N181 HydrophobicContact CE3-CB 4.25Å; W115-N181 HydrophobicContact CH2-CB 4.06Å; W115-N181 WeakPolarHBondContact CH2-O 3.45Å; W115-N181 WeakPolarHBondContact CH2-OD1 3.25Å; W115-N181 VanDerWaalsContact CZ2-OD1 3.24Å; W115-N181 WeakPolarHBondContact CZ2-OD1 3.05Å; W115-N181 HydrophobicContact CZ3-CB 3.7Å; W115-N181 WeakPolarHBondContact CZ3-OD1 3.18Å; W115-S184 WeakPolarHBondContact CH2-OG 3.4Å; W115-S184 WeakPolarHBondContact CZ2-OG 3.24Å
116D87.1Confident91.7Very high119 Ų11973 Ų7364%0.63637%0.367SS*.Hα-helixtrans-58.5-30.8-177.9-63-25.3000111.7I112I112-D116 PolarHBondContact O-N 3.45Å
117N89.3Confident91.8Very high79 Ų7973.8 Ų73.842%0.42237%0.369SS..Hα-helixtrans-104.5-3-178.8-63.4-66.4000113.8K113 L114 W115 H119 L120 N121K113-N117 PolarHBondContact O-ND2 3.04Å; L114-N117 CarbonylContact O-C 3.51Å; L114-N117 PolarHBondContact O-N 3.13Å; W115-N117 PolarHBondContact O-N 3.37Å; W115-N117 VanDerWaalsContact O-N 3.12Å; N117-H119 PolarHBondContact O-N 2.99Å; N117-L120 PolarHBondContact O-N 3.41Å; N117-N121 WeakPolarHBondContact O-CB 3.28Å; N117-N121 VanDerWaalsContact O-CG 3.22Å; N117-N121 PolarHBondContact O-N 3.47Å; N117-N121 PolarHBondContact O-ND2 3.35Å
118L91.3Very high91.9Very high11 Ų1174.4 Ų74.46%0.05837%0.368CS..Hα-helixtrans-64.3-49.1-168.7-172.661.2000111.4L114 W115 L120 N121 I122 L180L114-L118 WeakPolarHBondContact O-CA 3.44Å; L114-L118 VanDerWaalsContact O-CB 3.29Å; L114-L118 WeakPolarHBondContact O-CB 3.47Å; L114-L118 PolarHBondContact O-N 3.43Å; W115-L118 HydrophobicContact CE3-CB 4.46Å; W115-L118 HydrophobicContact CE3-CD2 3.5Å; W115-L118 VanDerWaalsContact CE3-CD2 3.5Å; W115-L118 HydrophobicContact CZ3-CD2 3.38Å; W115-L118 WeakPolarHBondContact O-CB 3.41Å; W115-L118 PolarHBondContact O-N 3.27Å; W115-L118 VanDerWaalsContact O-N 3.08Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.83Å; L118-N121 PolarHBondContact O-N 3.23Å; L118-I122 HydrophobicContact CD1-CD1 3.99Å; L118-I122 HydrophobicContact CD1-CG1 4.27Å; L118-I122 HydrophobicContact CD2-CD1 4.39Å; L118-I122 HydrophobicContact CG-CD1 3.78Å; L118-I122 HydrophobicContact CG-CG1 4.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.41Å; L118-L180 HydrophobicContact CD1-CD2 3.64Å; L118-L180 HydrophobicContact CD1-CG 4.4Å; L118-L180 HydrophobicContact CD2-CB 4.29Å; L118-L180 HydrophobicContact CD2-CD2 4.22Å; L118-L180 HydrophobicContact CD2-CG 4.16Å; L118-L180 HydrophobicContact CG-CD2 4.38Å
119H92.6Very high92Very high60 Ų6072.1 Ų72.128%0.27835%0.354SS..Hα-helixtrans-56.9-46.9179.417951.6000111.2N117 N121 I122 K123 T177N117-H119 PolarHBondContact O-N 2.99Å; H119-N121 VanDerWaalsContact C-N 3.35Å; H119-N121 PolarHBondContact O-N 2.83Å; H119-I122 PolarHBondContact O-N 2.93Å; H119-K123 WeakPolarHBondContact O-CB 3.42Å; H119-K123 PolarHBondContact O-N 2.96Å; H119-T177 HydrophobicContact CB-CG2 3.78Å; H119-T177 PolarHBondContact ND1-OG1 2.93Å
120L94.3Very high92Very high91 Ų9173.8 Ų73.848%0.47636%0.355SS..Hα-helixtrans-63.3-40179.2-66.8175.6000112.2N117 L118 K124N117-L120 PolarHBondContact O-N 3.41Å; L118-L120 VanDerWaalsContact C-N 3.31Å; L118-L120 PolarHBondContact O-N 2.83Å; L120-K124 WeakPolarHBondContact O-CB 3.33Å; L120-K124 VanDerWaalsContact O-CG 3.27Å; L120-K124 WeakPolarHBondContact O-CG 3.36Å; L120-K124 PolarHBondContact O-N 2.93Å
121N92.7Very high92.2Very high81 Ų8174.4 Ų74.443%0.43336%0.362SS..Hα-helixtrans-69.8-42.4-179.6-71.4-16.3000111.9N117 L118 H119 A125N117-N121 WeakPolarHBondContact O-CB 3.28Å; N117-N121 VanDerWaalsContact O-CG 3.22Å; N117-N121 PolarHBondContact O-N 3.47Å; N117-N121 PolarHBondContact O-ND2 3.35Å; L118-N121 PolarHBondContact O-N 3.23Å; H119-N121 VanDerWaalsContact C-N 3.35Å; H119-N121 PolarHBondContact O-N 2.83Å; N121-A125 PolarHBondContact O-N 3.42Å
122I95Very high92.2Very high11 Ų1176.1 Ų76.16%0.05637%0.372CS..Hα-helixtrans-67.6-43.3175.9-62.4169.3000110L118 H119 K124 A125 V126 M139 C176 T177 L180L118-I122 HydrophobicContact CD1-CD1 3.99Å; L118-I122 HydrophobicContact CD1-CG1 4.27Å; L118-I122 HydrophobicContact CD2-CD1 4.39Å; L118-I122 HydrophobicContact CG-CD1 3.78Å; L118-I122 HydrophobicContact CG-CG1 4.42Å; L118-I122 WeakPolarHBondContact O-CG1 3.49Å; L118-I122 PolarHBondContact O-N 3.41Å; H119-I122 PolarHBondContact O-N 2.93Å; I122-K124 PolarHBondContact O-N 3.45Å; I122-A125 CarbonylContact O-C 3.55Å; I122-A125 WeakPolarHBondContact O-CA 3.36Å; I122-A125 WeakPolarHBondContact O-CB 2.89Å; I122-A125 PolarHBondContact O-N 2.91Å; I122-V126 HydrophobicContact CG2-CG2 4.34Å; I122-V126 WeakPolarHBondContact O-CG2 3.47Å; I122-V126 PolarHBondContact O-N 3.24Å; I122-M139 HydrophobicContact CG2-CE 4.3Å; I122-C176 HydrophobicContact CG2-CB 4.18Å; I122-T177 VanDerWaalsContact CD1-CA 3.47Å; I122-L180 HydrophobicContact CD1-CD2 4.06Å
123K96Very high92.2Very high92 Ų9279.3 Ų79.340%0.438%0.382SS..Hα-helixtrans-57.8-47176.4-175.3171.3-178.61740111.8H119 A125 V126 D127H119-K123 WeakPolarHBondContact O-CB 3.42Å; H119-K123 PolarHBondContact O-N 2.96Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 3.49Å; K123-V126 WeakPolarHBondContact O-CB 3.49Å; K123-V126 PolarHBondContact O-N 3.32Å; K123-V126 VanDerWaalsContact O-N 3.14Å; K123-D127 VanDerWaalsContact O-CG 3.24Å; K123-D127 PolarHBondContact O-N 2.98Å
124K95.2Very high92Very high126 Ų12677.4 Ų77.455%0.54838%0.378SS..Hα-helixtrans-59.1-36.4173.1-75.4173.7-1791770112.8L120 I122 N128L120-K124 WeakPolarHBondContact O-CB 3.33Å; L120-K124 VanDerWaalsContact O-CG 3.27Å; L120-K124 WeakPolarHBondContact O-CG 3.36Å; L120-K124 PolarHBondContact O-N 2.93Å; I122-K124 PolarHBondContact O-N 3.45Å; K124-N128 WeakPolarHBondContact O-CB 3.36Å; K124-N128 PolarHBondContact O-N 3.26Å; K124-N128 VanDerWaalsContact O-N 3.11Å; K124-N128 PolarHBondContact O-ND2 2.86Å
125A94.5Very high92.1Very high21 Ų2175.5 Ų75.517%0.17437%0.368CS..Hα-helixtrans-68.2-39.8176.400000111.9N121 I122 K123 N128 Y129 I135 M139N121-A125 PolarHBondContact O-N 3.42Å; I122-A125 CarbonylContact O-C 3.55Å; I122-A125 WeakPolarHBondContact O-CA 3.36Å; I122-A125 WeakPolarHBondContact O-CB 2.89Å; I122-A125 PolarHBondContact O-N 2.91Å; K123-A125 VanDerWaalsContact C-N 3.27Å; K123-A125 PolarHBondContact O-N 3.49Å; A125-N128 PolarHBondContact O-N 3.5Å; A125-Y129 WeakPolarHBondContact O-CA 3.41Å; A125-Y129 PolarHBondContact O-N 3.25Å; A125-I135 HydrophobicContact CB-CG2 3.84Å; A125-I135 WeakPolarHBondContact O-CG2 3.39Å; A125-M139 HydrophobicContact CB-CG 4Å; A125-M139 HydrophobicContact CB-SD 3.77Å
126V95.8Very high92.4Very high4 Ų473.8 Ų73.82%0.02437%0.365CS..Hα-helixtrans-63.7-47.9173.7173.10000110.7I122 K123 N128 Y129 M139 E156 Y157I122-V126 HydrophobicContact CG2-CG2 4.34Å; I122-V126 WeakPolarHBondContact O-CG2 3.47Å; I122-V126 PolarHBondContact O-N 3.24Å; K123-V126 WeakPolarHBondContact O-CB 3.49Å; K123-V126 PolarHBondContact O-N 3.32Å; K123-V126 VanDerWaalsContact O-N 3.14Å; V126-N128 VanDerWaalsContact C-N 3.25Å; V126-N128 PolarHBondContact O-N 3.33Å; V126-Y129 WeakPolarHBondContact O-CB 3.49Å; V126-Y129 PolarHBondContact O-N 3.34Å; V126-Y129 VanDerWaalsContact O-N 3.07Å; V126-M139 HydrophobicContact CG2-CE 3.9Å; V126-E156 HydrophobicContact CG1-CB 3.91Å; V126-Y157 HydrophobicContact CB-CE1 4.46Å; V126-Y157 HydrophobicContact CG1-CD1 4.22Å; V126-Y157 HydrophobicContact CG1-CE1 3.76Å; V126-Y157 HydrophobicContact CG1-CE2 4.4Å
127D95.2Very high92.6Very high90 Ų9070.3 Ų70.348%0.48135%0.348SS..Hα-helixtrans-60.2-35.2179.2-65.6-24000112.3K123K123-D127 VanDerWaalsContact O-CG 3.24Å; K123-D127 PolarHBondContact O-N 2.98Å
128N94.2Very high92.6Very high73 Ų7371 Ų7139%0.3935%0.35SS..THydrogen-bonded Turntrans-93.12.2179.3-71-74.2000114.1K124 A125 V126 H130 F131 N132 I135K124-N128 WeakPolarHBondContact O-CB 3.36Å; K124-N128 PolarHBondContact O-N 3.26Å; K124-N128 VanDerWaalsContact O-N 3.11Å; K124-N128 PolarHBondContact O-ND2 2.86Å; A125-N128 PolarHBondContact O-N 3.5Å; V126-N128 VanDerWaalsContact C-N 3.25Å; V126-N128 PolarHBondContact O-N 3.33Å; N128-H130 VanDerWaalsContact C-N 3.34Å; N128-H130 PolarHBondContact O-N 3.11Å; N128-F131 PolarHBondContact O-N 3.3Å; N128-F131 VanDerWaalsContact O-N 3.12Å; N128-N132 PolarHBondContact O-N 3.06Å; N128-I135 HydrophobicContact CB-CD1 3.72Å
129Y94.3Very high92.7Very high25 Ų2570.6 Ų70.610%0.09835%0.348CS..THydrogen-bonded Turntrans-56-47-172.9175.8-87.6000111.9A125 V126 F131 S136 M139 D140 Y157 P162A125-Y129 WeakPolarHBondContact O-CA 3.41Å; A125-Y129 PolarHBondContact O-N 3.25Å; V126-Y129 WeakPolarHBondContact O-CB 3.49Å; V126-Y129 PolarHBondContact O-N 3.34Å; V126-Y129 VanDerWaalsContact O-N 3.07Å; Y129-F131 VanDerWaalsContact C-N 3.33Å; Y129-F131 PolarHBondContact O-N 3.14Å; Y129-S136 VanDerWaalsContact CE2-CA 3.48Å; Y129-S136 WeakPolarHBondContact O-CB 3.35Å; Y129-M139 HydrophobicContact CD2-CB 3.79Å; Y129-M139 HydrophobicContact CD2-CG 4.33Å; Y129-M139 HydrophobicContact CE2-CB 4.04Å; Y129-D140 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-D140 PolarHBondContact OH-OD1 3.35Å; Y129-Y157 HydrophobicContact CD1-CD1 4.28Å; Y129-Y157 AromaticContact CD1-CE1 3.84Å; Y129-Y157 HydrophobicContact CD1-CE1 3.84Å; Y129-Y157 HydrophobicContact CD2-CE1 4.04Å; Y129-Y157 HydrophobicContact CG-CD1 4.44Å; Y129-Y157 AromaticContact CG-CE1 3.58Å; Y129-Y157 HydrophobicContact CG-CE1 3.58Å; Y129-P162 HydrophobicContact CD1-CG 4.3Å; Y129-P162 HydrophobicContact CE1-CB 4.32Å; Y129-P162 HydrophobicContact CE1-CG 3.66Å; Y129-P162 HydrophobicContact CE2-CB 4.41Å; Y129-P162 HydrophobicContact CE2-CG 3.98Å; Y129-P162 VanDerWaalsContact CZ-CG 3.5Å; Y129-P162 WeakPolarHBondContact OH-CB 3.32Å
130H92.5Very high92.8Very high100 Ų10069.1 Ų69.146%0.46334%0.342SS..THydrogen-bonded Turntrans-77.8-15.8-177.8-63.2-66000114.2N128 Y157N128-H130 VanDerWaalsContact C-N 3.34Å; N128-H130 PolarHBondContact O-N 3.11Å; H130-Y157 AromaticContact NE2-CD1 3.92Å
131F93Very high92.7Very high175 Ų17568 Ų6877%0.76833%0.334SS*.THydrogen-bonded Turntrans-98-23.5-175.9-58.5-73.5000112.9N128 Y129N128-F131 PolarHBondContact O-N 3.3Å; N128-F131 VanDerWaalsContact O-N 3.12Å; Y129-F131 VanDerWaalsContact C-N 3.33Å; Y129-F131 PolarHBondContact O-N 3.14Å
132N90.2Very high92.8Very high64 Ų6466.2 Ų66.234%0.34232%0.324SS..  trans-128.5108.2-175.4-172.9-28000111.4N128 N134 I135 S136N128-N132 PolarHBondContact O-N 3.06Å; N132-N134 PolarHBondContact O-N 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.27Å; N132-N134 PolarHBondContact OD1-N 3.11Å; N132-I135 HydrophobicContact CB-CB 4.06Å; N132-I135 HydrophobicContact CB-CD1 3.87Å; N132-I135 HydrophobicContact CB-CG1 3.96Å; N132-I135 PolarHBondContact O-N 2.91Å; N132-I135 PolarHBondContact OD1-N 3.22Å; N132-S136 PolarHBondContact O-N 3.28Å
133K89Confident92.9Very high169 Ų16965.7 Ų65.774%0.73532%0.321SS*.Hα-helixtrans-57.7-30.2179.3-172175.9-179.51790113.6S136 T137K133-S136 WeakPolarHBondContact CA-OG 3.36Å; K133-S136 PolarHBondContact O-OG 3.09Å; K133-T137 WeakPolarHBondContact O-CB 3.11Å; K133-T137 PolarHBondContact O-N 3.41Å; K133-T137 PolarHBondContact O-OG1 2.97Å
134N86Confident92.8Very high96 Ų9667 Ų6751%0.51332%0.323SS..Hα-helixtrans-72.1-43.2178.2-64.12.1000110.2N132 T137 I138N132-N134 PolarHBondContact O-N 3.27Å; N132-N134 WeakPolarHBondContact OD1-CB 3.27Å; N132-N134 PolarHBondContact OD1-N 3.11Å; N134-T137 PolarHBondContact O-N 3.42Å; N134-I138 WeakPolarHBondContact O-CG1 3.34Å; N134-I138 PolarHBondContact O-N 2.96Å; N134-I138 VanDerWaalsContact O-N 3.1Å
135I89.5Confident92.7Very high44 Ų4466.4 Ų66.423%0.22633%0.326CS..Hα-helixtrans-64.2-43.9175.9-64.2178.9000110.2A125 N128 N132 T137 I138 M139A125-I135 HydrophobicContact CB-CG2 3.84Å; A125-I135 WeakPolarHBondContact O-CG2 3.39Å; N128-I135 HydrophobicContact CB-CD1 3.72Å; N132-I135 HydrophobicContact CB-CB 4.06Å; N132-I135 HydrophobicContact CB-CD1 3.87Å; N132-I135 HydrophobicContact CB-CG1 3.96Å; N132-I135 PolarHBondContact O-N 2.91Å; N132-I135 PolarHBondContact OD1-N 3.22Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 2.78Å; I135-I138 PolarHBondContact O-N 3.31Å; I135-M139 HydrophobicContact CG2-CG 4.24Å; I135-M139 WeakPolarHBondContact O-CB 3.45Å; I135-M139 WeakPolarHBondContact O-CG 3.09Å; I135-M139 PolarHBondContact O-N 3Å
136S92.5Very high92.8Very high19 Ų1967.1 Ų67.113%0.13333%0.327CS..Hα-helixtrans-60.6-42.8177.372.70000112.1Y129 N132 K133 I138 M139 D140Y129-S136 VanDerWaalsContact CE2-CA 3.48Å; Y129-S136 WeakPolarHBondContact O-CB 3.35Å; N132-S136 PolarHBondContact O-N 3.28Å; K133-S136 WeakPolarHBondContact CA-OG 3.36Å; K133-S136 PolarHBondContact O-OG 3.09Å; S136-I138 VanDerWaalsContact C-N 3.33Å; S136-I138 PolarHBondContact O-N 3.36Å; S136-M139 PolarHBondContact O-N 3.02Å; S136-D140 VanDerWaalsContact O-CB 3.24Å; S136-D140 WeakPolarHBondContact O-CB 3.42Å; S136-D140 PolarHBondContact O-N 3.2Å
137T90.6Very high92.8Very high46 Ų4671.9 Ų71.928%0.28235%0.347SS..Hα-helixtrans-62.6-39.4178.3-57.20000112.3Y45 K133 N134 I135 K141Y45-T137 HydrophobicContact CD1-CG2 3.63Å; Y45-T137 HydrophobicContact CE1-CG2 3.86Å; K133-T137 WeakPolarHBondContact O-CB 3.11Å; K133-T137 PolarHBondContact O-N 3.41Å; K133-T137 PolarHBondContact O-OG1 2.97Å; N134-T137 PolarHBondContact O-N 3.42Å; I135-T137 VanDerWaalsContact C-N 3.33Å; I135-T137 PolarHBondContact O-N 2.78Å; T137-K141 PolarHBondContact O-N 2.99Å
138I89.9Confident92.9Very high93 Ų9367.6 Ų67.648%0.47732%0.324SS..Hα-helixtrans-69.2-48.7177-68166.1000110.2N134 I135 S136 D140 K141 I142N134-I138 WeakPolarHBondContact O-CG1 3.34Å; N134-I138 PolarHBondContact O-N 2.96Å; N134-I138 VanDerWaalsContact O-N 3.1Å; I135-I138 PolarHBondContact O-N 3.31Å; S136-I138 VanDerWaalsContact C-N 3.33Å; S136-I138 PolarHBondContact O-N 3.36Å; I138-D140 VanDerWaalsContact C-N 3.33Å; I138-D140 PolarHBondContact O-N 3.44Å; I138-K141 WeakPolarHBondContact O-CB 3.35Å; I138-K141 PolarHBondContact O-N 2.82Å; I138-K141 VanDerWaalsContact O-N 3.09Å; I138-I142 HydrophobicContact CG2-CD1 3.94Å; I138-I142 WeakPolarHBondContact O-CG1 3.42Å; I138-I142 PolarHBondContact O-N 3.43Å
139M93.9Very high93Very high3 Ų364.1 Ų64.12%0.01531%0.306CS..Hα-helixtrans-61.6-41.3178.8-76.8-57.4-59.300111.8I122 A125 V126 Y129 I135 S136 K141 I142 H143I122-M139 HydrophobicContact CG2-CE 4.3Å; A125-M139 HydrophobicContact CB-CG 4Å; A125-M139 HydrophobicContact CB-SD 3.77Å; V126-M139 HydrophobicContact CG2-CE 3.9Å; Y129-M139 HydrophobicContact CD2-CB 3.79Å; Y129-M139 HydrophobicContact CD2-CG 4.33Å; Y129-M139 HydrophobicContact CE2-CB 4.04Å; I135-M139 HydrophobicContact CG2-CG 4.24Å; I135-M139 WeakPolarHBondContact O-CB 3.45Å; I135-M139 WeakPolarHBondContact O-CG 3.09Å; I135-M139 PolarHBondContact O-N 3Å; S136-M139 PolarHBondContact O-N 3.02Å; M139-K141 PolarHBondContact O-N 2.82Å; M139-I142 CarbonylContact O-C 3.54Å; M139-I142 WeakPolarHBondContact O-CB 3.33Å; M139-I142 PolarHBondContact O-N 3.34Å; M139-I142 VanDerWaalsContact O-N 3.11Å; M139-I142 HydrophobicContact SD-CD1 4.07Å; M139-H143 WeakPolarHBondContact CE-NE2 3.28Å; M139-H143 WeakPolarHBondContact O-CB 3.43Å; M139-H143 PolarHBondContact O-N 3.16Å; M139-H143 PolarHBondContact O-ND1 2.87Å; M139-H143 VanDerWaalsContact O-ND1 3.14Å
140D95.3Very high93.1Very high29 Ų2963 Ų6316%0.15530%0.301CS..Hα-helixtrans-56-36.9174.3-80.9-8000112.5Y129 S136 I138 R144 S164Y129-D140 WeakPolarHBondContact CE2-OD1 3.34Å; Y129-D140 PolarHBondContact OH-OD1 3.35Å; S136-D140 VanDerWaalsContact O-CB 3.24Å; S136-D140 WeakPolarHBondContact O-CB 3.42Å; S136-D140 PolarHBondContact O-N 3.2Å; I138-D140 VanDerWaalsContact C-N 3.33Å; I138-D140 PolarHBondContact O-N 3.44Å; D140-R144 WeakPolarHBondContact O-CG 3.28Å; D140-R144 PolarHBondContact O-N 2.83Å; D140-R144 PolarHBondContact O-NE 3.38Å; D140-R144 PolarHBondContact O-NH2 2.71Å; D140-S164 WeakPolarHBondContact OD1-CB 3.49Å; D140-S164 PolarHBondContact OD1-OG 2.87Å
141K91.9Very high93.2Very high68 Ų6858.2 Ų58.230%0.29628%0.279SS..Hα-helixtrans-72.6-44.5177.2-145.1-177.4-179.2-179.60111.2Y45 T137 I138 M139 H143 R144 D145Y45-K141 VanDerWaalsContact CE2-NZ 3.34Å; Y45-K141 VanDerWaalsContact OH-CE 3.28Å; Y45-K141 WeakPolarHBondContact OH-CE 3.38Å; Y45-K141 PolarHBondContact OH-NZ 2.9Å; T137-K141 PolarHBondContact O-N 2.99Å; I138-K141 WeakPolarHBondContact O-CB 3.35Å; I138-K141 PolarHBondContact O-N 2.82Å; I138-K141 VanDerWaalsContact O-N 3.09Å; M139-K141 PolarHBondContact O-N 2.82Å; K141-H143 VanDerWaalsContact C-N 3.31Å; K141-H143 PolarHBondContact O-N 3.49Å; K141-R144 PolarHBondContact O-N 2.7Å; K141-D145 VanDerWaalsContact O-CB 3.27Å; K141-D145 WeakPolarHBondContact O-CB 3.37Å; K141-D145 VanDerWaalsContact O-CG 3.24Å; K141-D145 PolarHBondContact O-N 2.89Å
142I94.7Very high93.3Very high43 Ų4353.9 Ų53.922%0.22126%0.264CS..Hα-helixtrans-58.3-44.9174.4-68.1170.4000110.7I138 M139 R144 L146 C176I138-I142 HydrophobicContact CG2-CD1 3.94Å; I138-I142 WeakPolarHBondContact O-CG1 3.42Å; I138-I142 PolarHBondContact O-N 3.43Å; M139-I142 CarbonylContact O-C 3.54Å; M139-I142 WeakPolarHBondContact O-CB 3.33Å; M139-I142 PolarHBondContact O-N 3.34Å; M139-I142 VanDerWaalsContact O-N 3.11Å; M139-I142 HydrophobicContact SD-CD1 4.07Å; I142-R144 PolarHBondContact O-N 3.49Å; I142-L146 HydrophobicContact CG2-CD1 4.11Å; I142-L146 WeakPolarHBondContact O-CB 3.27Å; I142-L146 PolarHBondContact O-N 3.44Å; I142-C176 HydrophobicContact CG2-CB 4.14Å
143H96.5Very high93.5Very high0 Ų053.6 Ų53.60%026%0.262CS..Hα-helixtrans-58.3-47.2178.6-63.8147.2000111.7M139 K141 K147 C148 Y157 S164 Y172 C176M139-H143 WeakPolarHBondContact CE-NE2 3.28Å; M139-H143 WeakPolarHBondContact O-CB 3.43Å; M139-H143 PolarHBondContact O-N 3.16Å; M139-H143 PolarHBondContact O-ND1 2.87Å; M139-H143 VanDerWaalsContact O-ND1 3.14Å; K141-H143 VanDerWaalsContact C-N 3.31Å; K141-H143 PolarHBondContact O-N 3.49Å; H143-K147 WeakPolarHBondContact O-CA 3.37Å; H143-K147 PolarHBondContact O-N 3.27Å; H143-C148 VanDerWaalsContact CA-O 3.28Å; H143-C148 WeakPolarHBondContact CA-O 3.4Å; H143-C148 WeakPolarHBondContact CB-O 3.33Å; H143-C148 PolarHBondContact CD2-O 3.46Å; H143-C148 PolarHBondContact O-N 3.06Å; H143-Y157 AromaticContact CE1-CE2 3.88Å; H143-Y157 AromaticContact CE1-CZ 3.76Å; H143-Y157 PolarHBondContact CE1-OH 3.43Å; H143-Y157 AromaticContact NE2-CE2 3.87Å; H143-Y157 AromaticContact NE2-CZ 3.95Å; H143-Y157 PolarHBondContact NE2-OH 2.97Å; H143-S164 WeakPolarHBondContact CB-O 3.32Å; H143-S164 WeakPolarHBondContact CB-OG 3.24Å; H143-S164 PolarHBondContact ND1-OG 2.85Å; H143-Y172 VanDerWaalsContact O-CE2 3.29Å; H143-Y172 WeakPolarHBondContact O-CE2 3.49Å; H143-C176 VanDerWaalsContact CD2-SG 3.51Å
144R94.9Very high93.7Very high119 Ų11947.5 Ų47.545%0.44924%0.236SC..Hα-helixtrans-71.2-46.8179.3-71.5-176.3-67.5-96.3-4.6112.9D140 K141 I142D140-R144 WeakPolarHBondContact O-CG 3.28Å; D140-R144 PolarHBondContact O-N 2.83Å; D140-R144 PolarHBondContact O-NE 3.38Å; D140-R144 PolarHBondContact O-NH2 2.71Å; K141-R144 PolarHBondContact O-N 2.7Å; I142-R144 PolarHBondContact O-N 3.49Å
145D93.1Very high94.1Very high113 Ų11348.7 Ų48.760%0.60424%0.242SC*.Hα-helixtrans-72.3-33.6-173.5-67.7-7.1000111.7K141K141-D145 VanDerWaalsContact O-CB 3.27Å; K141-D145 WeakPolarHBondContact O-CB 3.37Å; K141-D145 VanDerWaalsContact O-CG 3.24Å; K141-D145 PolarHBondContact O-N 2.89Å
146L94.9Very high94.3Very high36 Ų3649.6 Ų49.619%0.18825%0.245CC..Hα-helixtrans-106.91.9-178.8-58.6-175.4000114.2I142 C148 A179 L180 F183I142-L146 HydrophobicContact CG2-CD1 4.11Å; I142-L146 WeakPolarHBondContact O-CB 3.27Å; I142-L146 PolarHBondContact O-N 3.44Å; L146-C148 VanDerWaalsContact C-N 3.33Å; L146-C148 PolarHBondContact O-N 3.34Å; L146-A179 HydrophobicContact CB-CB 4.2Å; L146-L180 HydrophobicContact CD1-CB 3.92Å; L146-L180 HydrophobicContact CD1-CD1 3.84Å; L146-L180 HydrophobicContact CD1-CG 4.46Å; L146-F183 HydrophobicContact CD2-CB 3.86Å; L146-F183 HydrophobicContact CD2-CD1 4.23Å; L146-F183 HydrophobicContact CD2-CD2 3.81Å; L146-F183 HydrophobicContact CD2-CE2 4.44Å; L146-F183 HydrophobicContact CD2-CG 3.69Å
147K96.1Very high94.3Very high105 Ų10549.4 Ų49.446%0.45724%0.242SC..THydrogen-bonded Turntrans49.752.2-180-57-167.9173.7-1480112.6H143 E167 Y172H143-K147 WeakPolarHBondContact O-CA 3.37Å; H143-K147 PolarHBondContact O-N 3.27Å; K147-E167 WeakPolarHBondContact CE-OE1 3.43Å; K147-E167 IonicContact NZ-OE1 2.7Å; K147-E167 PolarHBondContact NZ-OE1 3Å; K147-E167 IonicContact NZ-OE2 2.83Å; K147-E167 PolarHBondContact NZ-OE2 2.88Å; K147-Y172 VanDerWaalsContact C-CG 3.5Å; K147-Y172 HydrophobicContact CB-CD1 4Å; K147-Y172 HydrophobicContact CB-CE1 3.63Å; K147-Y172 HydrophobicContact CB-CE2 4.4Å; K147-Y172 HydrophobicContact CD-CE1 4.34Å; K147-Y172 HydrophobicContact CG-CE1 4.02Å
148C97Very high94.3Very high0 Ų049.2 Ų49.20%025%0.248CC..  trans-133.4163.3-175.4680000111H143 L146 Y172 N174 C176 A179H143-C148 VanDerWaalsContact CA-O 3.28Å; H143-C148 WeakPolarHBondContact CA-O 3.4Å; H143-C148 WeakPolarHBondContact CB-O 3.33Å; H143-C148 PolarHBondContact CD2-O 3.46Å; H143-C148 PolarHBondContact O-N 3.06Å; L146-C148 VanDerWaalsContact C-N 3.33Å; L146-C148 PolarHBondContact O-N 3.34Å; C148-Y172 WeakPolarHBondContact O-CD2 3.41Å; C148-N174 CarbonylContact C-O 3.54Å; C148-N174 VanDerWaalsContact CA-O 3.27Å; C148-N174 WeakPolarHBondContact CA-O 3.45Å; C148-N174 WeakPolarHBondContact CB-O 3.49Å; C148-C176 VanDerWaalsContact C-SG 3.52Å; C148-C176 HydrophobicContact CB-CB 3.95Å; C148-C176 WeakPolarHBondContact CB-SG 3.2Å; C148-C176 WeakPolarHBondContact SG-CA 3.33Å; C148-C176 WeakPolarHBondContact SG-CB 3.49Å; C148-C176 CovalentContact SG-SG 2.05Å; C148-C176 PolarHBondContact SG-SG 3.2Å; C148-A179 HydrophobicContact CB-CB 3.74Å
149C97.2Very high94.2Very high0 Ų053 Ų530%027%0.27CS..  trans-144.9134174.3-165.90000112.1N153 H154 C165 Y172 N174C149-N153 CarbonylContact O-C 3.21Å; C149-H154 HydrophobicContact CB-CB 3.84Å; C149-H154 PolarHBondContact O-N 3.47Å; C149-H154 VanDerWaalsContact SG-CB 3.54Å; C149-C165 HydrophobicContact CB-CB 3.64Å; C149-C165 WeakPolarHBondContact CB-SG 3.34Å; C149-C165 WeakPolarHBondContact SG-CB 3.45Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.3Å; C149-Y172 WeakPolarHBondContact CB-O 3.3Å; C149-N174 PolarHBondContact N-O 3.12Å
150G96.3Very high94.1Very high0 Ų060.6 Ų60.60%030%0.303CS..SBendtrans68.4-175.3-177.600000112.5C176G150-C176 WeakPolarHBondContact O-CB 3.42Å; G150-C176 PolarHBondContact O-N 3.31Å; G150-C176 PolarHBondContact O-SG 3.21Å; G150-C176 VanDerWaalsContact O-SG 3.41Å
151S95.3Very high94Very high0 Ų061.2 Ų61.20%031%0.305CS..SBendtrans-78.2-49.1179.778.30000110.7E156 G175 C176 T177S151-E156 WeakPolarHBondContact CA-OE2 3.39Å; S151-E156 WeakPolarHBondContact CB-OE2 3.5Å; S151-E156 PolarHBondContact N-OE2 2.98Å; S151-E156 PolarHBondContact OG-OE1 3.24Å; S151-E156 PolarHBondContact OG-OE2 2.79Å; S151-G175 CarbonylContact O-C 3.6Å; S151-G175 WeakPolarHBondContact O-CA 3.35Å; S151-C176 PolarHBondContact O-N 3.5Å; S151-T177 VanDerWaalsContact O-CB 3.31Å; S151-T177 WeakPolarHBondContact O-CB 3.24Å; S151-T177 PolarHBondContact O-N 2.96Å; S151-T177 PolarHBondContact O-OG1 2.89Å
152L95.5Very high94.2Very high85 Ų8558.2 Ų58.245%0.44529%0.293SS..SBendtrans-111.1-35.2173.1-61.3173.7000112.6E156 G175L152-E156 WeakPolarHBondContact CB-OE1 3.34Å; L152-E156 PolarHBondContact N-OE1 3.44Å; L152-E156 VanDerWaalsContact N-OE1 3.1Å; L152-G175 WeakPolarHBondContact O-CA 3.28Å; L152-G175 PolarHBondContact O-N 3.22Å; L152-G175 VanDerWaalsContact O-N 3.12Å
153N94Very high94.1Very high57 Ų5760.9 Ų60.931%0.30532%0.315SS..  trans-159166.4178.363.869.7000111.7C149 L155 E156C149-N153 CarbonylContact O-C 3.21Å; N153-L155 PolarHBondContact O-N 3.49Å; N153-L155 WeakPolarHBondContact OD1-CA 3.17Å; N153-L155 WeakPolarHBondContact OD1-CB 3.39Å; N153-L155 PolarHBondContact OD1-N 3.12Å; N153-E156 PolarHBondContact O-N 3.3Å
154H93Very high94.1Very high41 Ų4161 Ų6119%0.1932%0.317CS..G310 helixtrans-67.1-18.4-177.866.381.3000114.8C149 E156 Y157 I161 I171C149-H154 HydrophobicContact CB-CB 3.84Å; C149-H154 PolarHBondContact O-N 3.47Å; C149-H154 VanDerWaalsContact SG-CB 3.54Å; H154-E156 PolarHBondContact O-N 3.39Å; H154-Y157 PolarHBondContact O-N 2.99Å; H154-I161 HydrophobicContact CB-CD1 4.4Å; H154-I171 HydrophobicContact CB-CG2 3.87Å
155L93.5Very high94.1Very high121 Ų12155.4 Ų55.463%0.63430%0.295SS*.G310 helixtrans-70.2-16.1-177.2-55.6169.2000112.2N153 Y157 G158N153-L155 PolarHBondContact O-N 3.49Å; N153-L155 WeakPolarHBondContact OD1-CA 3.17Å; N153-L155 WeakPolarHBondContact OD1-CB 3.39Å; N153-L155 PolarHBondContact OD1-N 3.12Å; L155-Y157 PolarHBondContact O-N 2.98Å; L155-G158 PolarHBondContact O-N 3.4Å
156E93.4Very high94.2Very high64 Ų6453.7 Ų53.730%0.29928%0.284SS..G310 helixtrans-61.7-22.5175.4-67.4176-17300113V126 S151 L152 N153 H154 G158V126-E156 HydrophobicContact CG1-CB 3.91Å; S151-E156 WeakPolarHBondContact CA-OE2 3.39Å; S151-E156 WeakPolarHBondContact CB-OE2 3.5Å; S151-E156 PolarHBondContact N-OE2 2.98Å; S151-E156 PolarHBondContact OG-OE1 3.24Å; S151-E156 PolarHBondContact OG-OE2 2.79Å; L152-E156 WeakPolarHBondContact CB-OE1 3.34Å; L152-E156 PolarHBondContact N-OE1 3.44Å; L152-E156 VanDerWaalsContact N-OE1 3.1Å; N153-E156 PolarHBondContact O-N 3.3Å; H154-E156 PolarHBondContact O-N 3.39Å; E156-G158 VanDerWaalsContact C-N 3.3Å
157Y93.7Very high94Very high15 Ų1555.1 Ų55.16%0.05929%0.289CS..G310 helixtrans-83.5-2.9173-67.6-67.2000113.9V126 Y129 H130 H143 H154 L155 D159 K160 P162V126-Y157 HydrophobicContact CB-CE1 4.46Å; V126-Y157 HydrophobicContact CG1-CD1 4.22Å; V126-Y157 HydrophobicContact CG1-CE1 3.76Å; V126-Y157 HydrophobicContact CG1-CE2 4.4Å; Y129-Y157 HydrophobicContact CD1-CD1 4.28Å; Y129-Y157 AromaticContact CD1-CE1 3.84Å; Y129-Y157 HydrophobicContact CD1-CE1 3.84Å; Y129-Y157 HydrophobicContact CD2-CE1 4.04Å; Y129-Y157 HydrophobicContact CG-CD1 4.44Å; Y129-Y157 AromaticContact CG-CE1 3.58Å; Y129-Y157 HydrophobicContact CG-CE1 3.58Å; H130-Y157 AromaticContact NE2-CD1 3.92Å; H143-Y157 AromaticContact CE1-CE2 3.88Å; H143-Y157 AromaticContact CE1-CZ 3.76Å; H143-Y157 PolarHBondContact CE1-OH 3.43Å; H143-Y157 AromaticContact NE2-CE2 3.87Å; H143-Y157 AromaticContact NE2-CZ 3.95Å; H143-Y157 PolarHBondContact NE2-OH 2.97Å; H154-Y157 PolarHBondContact O-N 2.99Å; L155-Y157 PolarHBondContact O-N 2.98Å; Y157-D159 PolarHBondContact O-N 3.09Å; Y157-K160 PolarHBondContact O-N 3.25Å; Y157-P162 HydrophobicContact CD1-CG 4.09Å; Y157-P162 VanDerWaalsContact CD2-CD 3.42Å; Y157-P162 HydrophobicContact CD2-CG 4.02Å; Y157-P162 HydrophobicContact CE1-CG 3.96Å; Y157-P162 HydrophobicContact CE2-CG 3.85Å; Y157-P162 HydrophobicContact CG-CG 4.13Å
158G90.3Very high93.7Very high41 Ų4158.2 Ų58.242%0.42331%0.311SS..THydrogen-bonded Turntrans58.3-133.5-172.200000111.6L155 E156 K160L155-G158 PolarHBondContact O-N 3.4Å; E156-G158 VanDerWaalsContact C-N 3.3Å; G158-K160 VanDerWaalsContact C-N 3.3Å; G158-K160 PolarHBondContact O-N 3.34Å
159D88.1Confident93.2Very high174 Ų17461.7 Ų61.793%0.9335%0.347SS*.THydrogen-bonded Turntrans-77.2-14.1-177.5-57.6-39000113.7Y157 I161Y157-D159 PolarHBondContact O-N 3.09Å; D159-I161 PolarHBondContact O-N 3.21Å
160K91.3Very high92.9Very high161 Ų16165 Ų6570%0.737%0.37SS*.  trans-104.357-174.2-67.7-176-179.2176.20111.8Y157 G158Y157-K160 PolarHBondContact O-N 3.25Å; G158-K160 VanDerWaalsContact C-N 3.3Å; G158-K160 PolarHBondContact O-N 3.34Å
161I93.9Very high92.8Very high42 Ų4267.8 Ų67.822%0.21538%0.384CS..  trans-62.8128.6177.9-59176.2000110H154 D159 C165 I171H154-I161 HydrophobicContact CB-CD1 4.4Å; D159-I161 PolarHBondContact O-N 3.21Å; I161-C165 HydrophobicContact CG2-CB 3.86Å; I161-I171 HydrophobicContact CD1-CD1 3.93Å; I161-I171 HydrophobicContact CG2-CG2 4.38Å
162P94.7Very high92.8Very high6 Ų669 Ų694%0.03939%0.389CS..  trans-55.6141.6177.1-29.337.2000113.5Y129 Y157 S164 C165 H166Y129-P162 HydrophobicContact CD1-CG 4.3Å; Y129-P162 HydrophobicContact CE1-CB 4.32Å; Y129-P162 HydrophobicContact CE1-CG 3.66Å; Y129-P162 HydrophobicContact CE2-CB 4.41Å; Y129-P162 HydrophobicContact CE2-CG 3.98Å; Y129-P162 VanDerWaalsContact CZ-CG 3.5Å; Y129-P162 WeakPolarHBondContact OH-CB 3.32Å; Y157-P162 HydrophobicContact CD1-CG 4.09Å; Y157-P162 VanDerWaalsContact CD2-CD 3.42Å; Y157-P162 HydrophobicContact CD2-CG 4.02Å; Y157-P162 HydrophobicContact CE1-CG 3.96Å; Y157-P162 HydrophobicContact CE2-CG 3.85Å; Y157-P162 HydrophobicContact CG-CG 4.13Å; P162-S164 WeakPolarHBondContact CB-OG 3.35Å; P162-S164 PolarHBondContact O-N 3.39Å; P162-C165 WeakPolarHBondContact O-CB 3.37Å; P162-C165 PolarHBondContact O-N 3.35Å; P162-H166 PolarHBondContact O-CE1 3.43Å; P162-H166 PolarHBondContact O-ND1 3.44Å
163S93.5Very high92.5Very high98 Ų9872.9 Ų72.969%0.68540%0.402SS*.G310 helixtrans-60.9-28.3173.156.70000112.3C165 H166S163-C165 PolarHBondContact O-N 3.17Å; S163-H166 WeakPolarHBondContact O-CB 3.49Å; S163-H166 PolarHBondContact O-N 3.24Å; S163-H166 VanDerWaalsContact O-N 3.12Å
164S95.5Very high92.5Very high4 Ų474.6 Ų74.63%0.02841%0.411CS..G310 helixtrans-63.5-18.4174.368.20000114.5D140 H143 P162D140-S164 WeakPolarHBondContact OD1-CB 3.49Å; D140-S164 PolarHBondContact OD1-OG 2.87Å; H143-S164 WeakPolarHBondContact CB-O 3.32Å; H143-S164 WeakPolarHBondContact CB-OG 3.24Å; H143-S164 PolarHBondContact ND1-OG 2.85Å; P162-S164 WeakPolarHBondContact CB-OG 3.35Å; P162-S164 PolarHBondContact O-N 3.39Å
165C96.4Very high92.7Very high0 Ų072.7 Ų72.70%040%0.403CS..G310 helixtrans-81.8-0.3176.7-70.70000113.1C149 I161 P162 S163 I171 Y172C149-C165 HydrophobicContact CB-CB 3.64Å; C149-C165 WeakPolarHBondContact CB-SG 3.34Å; C149-C165 WeakPolarHBondContact SG-CB 3.45Å; C149-C165 CovalentContact SG-SG 2.04Å; C149-C165 PolarHBondContact SG-SG 3.3Å; I161-C165 HydrophobicContact CG2-CB 3.86Å; P162-C165 WeakPolarHBondContact O-CB 3.37Å; P162-C165 PolarHBondContact O-N 3.35Å; S163-C165 PolarHBondContact O-N 3.17Å; C165-I171 WeakPolarHBondContact O-CA 3.29Å; C165-Y172 VanDerWaalsContact O-CD2 3.25Å; C165-Y172 WeakPolarHBondContact O-CD2 3.44Å; C165-Y172 PolarHBondContact O-N 2.96Å
166H94.8Very high92.8Very high78 Ų7867 Ų6736%0.36137%0.373SS..EExtended strand (participates in β ladder)trans-106.6133.9-176.1-60.575.2000111.1P162 S163 S170 I171P162-H166 PolarHBondContact O-CE1 3.43Å; P162-H166 PolarHBondContact O-ND1 3.44Å; S163-H166 WeakPolarHBondContact O-CB 3.49Å; S163-H166 PolarHBondContact O-N 3.24Å; S163-H166 VanDerWaalsContact O-N 3.12Å; H166-S170 CarbonylContact C-O 3.6Å; H166-S170 VanDerWaalsContact CA-O 3.25Å; H166-S170 WeakPolarHBondContact CA-O 3.49Å; H166-I171 VanDerWaalsContact CD2-CG1 3.49Å; H166-I171 WeakPolarHBondContact CD2-CG1 2.98Å; H166-I171 WeakPolarHBondContact NE2-CG1 3.29Å
167E91.6Very high92.9Very high66 Ų6664.6 Ų64.631%0.30836%0.363SS..EExtended strand (participates in β ladder)trans-129.7122.3168.7-174168.4-126.300108.4K147 G169 S170 Y172K147-E167 WeakPolarHBondContact CE-OE1 3.43Å; K147-E167 IonicContact NZ-OE1 2.7Å; K147-E167 PolarHBondContact NZ-OE1 3Å; K147-E167 IonicContact NZ-OE2 2.83Å; K147-E167 PolarHBondContact NZ-OE2 2.88Å; E167-G169 PolarHBondContact O-N 3.11Å; E167-G169 VanDerWaalsContact O-N 3.12Å; E167-S170 PolarHBondContact N-O 2.79Å; E167-S170 PolarHBondContact O-N 3.22Å; E167-S170 PolarHBondContact O-OG 2.93Å; E167-Y172 HydrophobicContact CB-CE1 3.59Å; E167-Y172 WeakPolarHBondContact CB-OH 3.37Å; E167-Y172 HydrophobicContact CG-CE1 4.46Å; E167-Y172 WeakPolarHBondContact OE2-CE1 3.22Å
168D88.7Confident92.9Very high169 Ų16967.8 Ų67.890%0.90438%0.381SS*.THydrogen-bonded Turntrans50.637.2-178.8-57.4-34.3000113.9S170D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 PolarHBondContact O-N 3.42Å
169G86.2Confident93.1Very high73 Ų7366.1 Ų66.175%0.75336%0.364SS*.THydrogen-bonded Turntrans80.9-3.9-17900000115.1E167E167-G169 PolarHBondContact O-N 3.11Å; E167-G169 VanDerWaalsContact O-N 3.12Å
170S91.7Very high93.4Very high71 Ų7159.9 Ų59.950%0.49733%0.33SS..EExtended strand (participates in β ladder)trans-96.8144.4174.974.10000111.9H166 E167 D168H166-S170 CarbonylContact C-O 3.6Å; H166-S170 VanDerWaalsContact CA-O 3.25Å; H166-S170 WeakPolarHBondContact CA-O 3.49Å; E167-S170 PolarHBondContact N-O 2.79Å; E167-S170 PolarHBondContact O-N 3.22Å; E167-S170 PolarHBondContact O-OG 2.93Å; D168-S170 VanDerWaalsContact C-N 3.26Å; D168-S170 PolarHBondContact O-N 3.42Å
171I93.7Very high93.5Very high58 Ų5855.5 Ų55.530%0.29731%0.314SS..EExtended strand (participates in β ladder)trans-91.7133.8178.2-61.7165.2000109.8H154 I161 C165 H166 K173H154-I171 HydrophobicContact CB-CG2 3.87Å; I161-I171 HydrophobicContact CD1-CD1 3.93Å; I161-I171 HydrophobicContact CG2-CG2 4.38Å; C165-I171 WeakPolarHBondContact O-CA 3.29Å; H166-I171 VanDerWaalsContact CD2-CG1 3.49Å; H166-I171 WeakPolarHBondContact CD2-CG1 2.98Å; H166-I171 WeakPolarHBondContact NE2-CG1 3.29Å; I171-K173 PolarHBondContact O-N 3.43Å
172Y94.4Very high93.4Very high24 Ų2459.9 Ų59.99%0.09433%0.328CS..PPolyproline II helixtrans-62123.8171.7-57.5-49000111.4H143 K147 C148 C149 C165 E167H143-Y172 VanDerWaalsContact O-CE2 3.29Å; H143-Y172 WeakPolarHBondContact O-CE2 3.49Å; K147-Y172 VanDerWaalsContact C-CG 3.5Å; K147-Y172 HydrophobicContact CB-CD1 4Å; K147-Y172 HydrophobicContact CB-CE1 3.63Å; K147-Y172 HydrophobicContact CB-CE2 4.4Å; K147-Y172 HydrophobicContact CD-CE1 4.34Å; K147-Y172 HydrophobicContact CG-CE1 4.02Å; C148-Y172 WeakPolarHBondContact O-CD2 3.41Å; C149-Y172 WeakPolarHBondContact CB-O 3.3Å; C165-Y172 VanDerWaalsContact O-CD2 3.25Å; C165-Y172 WeakPolarHBondContact O-CD2 3.44Å; C165-Y172 PolarHBondContact O-N 2.96Å; E167-Y172 HydrophobicContact CB-CE1 3.59Å; E167-Y172 WeakPolarHBondContact CB-OH 3.37Å; E167-Y172 HydrophobicContact CG-CE1 4.46Å; E167-Y172 WeakPolarHBondContact OE2-CE1 3.22Å
173K91.2Very high93.3Very high167 Ų16764.8 Ų64.873%0.72635%0.349SS*.  trans-87.8-21.8-179.6-62.9-175.2179.8-1790113.9I171I171-K173 PolarHBondContact O-N 3.43Å
174N93.9Very high93.2Very high93 Ų9361.2 Ų61.250%0.49732%0.324SS..SBendtrans-79.5135.5-175.7-62.9-40.8000111.1C148 C149C148-N174 CarbonylContact C-O 3.54Å; C148-N174 VanDerWaalsContact CA-O 3.27Å; C148-N174 WeakPolarHBondContact CA-O 3.45Å; C148-N174 WeakPolarHBondContact CB-O 3.49Å; C149-N174 PolarHBondContact N-O 3.12Å
175G95.5Very high93.1Very high2 Ų261.4 Ų61.42%0.02133%0.327CS..  trans-67.1145.7171.100000113S151 L152 T177 D178 A179S151-G175 CarbonylContact O-C 3.6Å; S151-G175 WeakPolarHBondContact O-CA 3.35Å; L152-G175 WeakPolarHBondContact O-CA 3.28Å; L152-G175 PolarHBondContact O-N 3.22Å; L152-G175 VanDerWaalsContact O-N 3.12Å; G175-T177 VanDerWaalsContact C-N 3.26Å; G175-T177 PolarHBondContact O-N 3.36Å; G175-D178 PolarHBondContact O-N 3.12Å; G175-A179 PolarHBondContact O-N 2.78Å
176C96.5Very high92.9Very high0 Ų066.9 Ų66.90%035%0.352CS..Hα-helixtrans-71-21.4178.8-66.70000113.6I122 I142 H143 C148 G150 S151 L180I122-C176 HydrophobicContact CG2-CB 4.18Å; I142-C176 HydrophobicContact CG2-CB 4.14Å; H143-C176 VanDerWaalsContact CD2-SG 3.51Å; C148-C176 VanDerWaalsContact C-SG 3.52Å; C148-C176 HydrophobicContact CB-CB 3.95Å; C148-C176 WeakPolarHBondContact CB-SG 3.2Å; C148-C176 WeakPolarHBondContact SG-CA 3.33Å; C148-C176 WeakPolarHBondContact SG-CB 3.49Å; C148-C176 CovalentContact SG-SG 2.05Å; C148-C176 PolarHBondContact SG-SG 3.2Å; G150-C176 WeakPolarHBondContact O-CB 3.42Å; G150-C176 PolarHBondContact O-N 3.31Å; G150-C176 PolarHBondContact O-SG 3.21Å; G150-C176 VanDerWaalsContact O-SG 3.41Å; S151-C176 PolarHBondContact O-N 3.5Å; C176-L180 WeakPolarHBondContact O-CB 3.39Å; C176-L180 PolarHBondContact O-N 3.38Å
177T95.1Very high92.8Very high15 Ų1569.9 Ų69.99%0.09237%0.365CS..Hα-helixtrans-60.5-51.7173.8-51.50000110.9H119 I122 S151 G175 N181H119-T177 HydrophobicContact CB-CG2 3.78Å; H119-T177 PolarHBondContact ND1-OG1 2.93Å; I122-T177 VanDerWaalsContact CD1-CA 3.47Å; S151-T177 VanDerWaalsContact O-CB 3.31Å; S151-T177 WeakPolarHBondContact O-CB 3.24Å; S151-T177 PolarHBondContact O-N 2.96Å; S151-T177 PolarHBondContact O-OG1 2.89Å; G175-T177 VanDerWaalsContact C-N 3.26Å; G175-T177 PolarHBondContact O-N 3.36Å; T177-N181 VanDerWaalsContact O-CB 3.28Å; T177-N181 WeakPolarHBondContact O-CB 3.48Å; T177-N181 PolarHBondContact O-N 3.31Å
178D93.4Very high92.9Very high81 Ų8167.6 Ų67.643%0.43336%0.355SS..Hα-helixtrans-72.4-35.9-179.2-65.5-32.4000112.3G175 N181 R182G175-D178 PolarHBondContact O-N 3.12Å; D178-N181 WeakPolarHBondContact O-CB 3.29Å; D178-N181 PolarHBondContact O-N 2.91Å; D178-R182 WeakPolarHBondContact O-CG 3.43Å; D178-R182 PolarHBondContact O-N 3.04Å
179A95.1Very high93.2Very high7 Ų766.9 Ų66.96%0.05834%0.339CS..Hα-helixtrans-64.6-47.817700000111.5L146 C148 G175 N181 R182 F183L146-A179 HydrophobicContact CB-CB 4.2Å; C148-A179 HydrophobicContact CB-CB 3.74Å; G175-A179 PolarHBondContact O-N 2.78Å; A179-N181 PolarHBondContact O-N 3.18Å; A179-R182 PolarHBondContact O-N 2.88Å; A179-F183 WeakPolarHBondContact O-CB 3.25Å; A179-F183 PolarHBondContact O-N 2.95Å
180L94.4Very high93.7Very high42 Ų4267 Ų6722%0.2233%0.326CS..Hα-helixtrans-64.4-32.1174.3-173.257.2000110.9L118 I122 L146 C176 F183 S184L118-L180 HydrophobicContact CD1-CD2 3.64Å; L118-L180 HydrophobicContact CD1-CG 4.4Å; L118-L180 HydrophobicContact CD2-CB 4.29Å; L118-L180 HydrophobicContact CD2-CD2 4.22Å; L118-L180 HydrophobicContact CD2-CG 4.16Å; L118-L180 HydrophobicContact CG-CD2 4.38Å; I122-L180 HydrophobicContact CD1-CD2 4.06Å; L146-L180 HydrophobicContact CD1-CB 3.92Å; L146-L180 HydrophobicContact CD1-CD1 3.84Å; L146-L180 HydrophobicContact CD1-CG 4.46Å; C176-L180 WeakPolarHBondContact O-CB 3.39Å; C176-L180 PolarHBondContact O-N 3.38Å; L180-F183 HydrophobicContact CD1-CD1 4.44Å; L180-F183 PolarHBondContact O-N 3.37Å; L180-S184 WeakPolarHBondContact O-CB 3.34Å; L180-S184 PolarHBondContact O-N 3.38Å
181N92.4Very high93.8Very high70 Ų7065.4 Ų65.437%0.37432%0.317SS..Hα-helixtrans-59.3-52.9172-170.728.6000114.2W115 T177 D178 A179 F183 G185W115-N181 HydrophobicContact CE3-CB 4.25Å; W115-N181 HydrophobicContact CH2-CB 4.06Å; W115-N181 WeakPolarHBondContact CH2-O 3.45Å; W115-N181 WeakPolarHBondContact CH2-OD1 3.25Å; W115-N181 VanDerWaalsContact CZ2-OD1 3.24Å; W115-N181 WeakPolarHBondContact CZ2-OD1 3.05Å; W115-N181 HydrophobicContact CZ3-CB 3.7Å; W115-N181 WeakPolarHBondContact CZ3-OD1 3.18Å; T177-N181 VanDerWaalsContact O-CB 3.28Å; T177-N181 WeakPolarHBondContact O-CB 3.48Å; T177-N181 PolarHBondContact O-N 3.31Å; D178-N181 WeakPolarHBondContact O-CB 3.29Å; D178-N181 PolarHBondContact O-N 2.91Å; A179-N181 PolarHBondContact O-N 3.18Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 2.92Å; N181-G185 PolarHBondContact O-N 3.27Å
182R92.9Very high93.9Very high134 Ų13465.9 Ų65.951%0.50632%0.319SS..Hα-helixtrans-62.3-42176.9-69-173.5-63.3-92.51.7111.9D178 A179 Q186D178-R182 WeakPolarHBondContact O-CG 3.43Å; D178-R182 PolarHBondContact O-N 3.04Å; A179-R182 PolarHBondContact O-N 2.88Å; R182-Q186 WeakPolarHBondContact O-CB 3.24Å; R182-Q186 PolarHBondContact O-N 3.34Å
183F92.9Very high94Very high108 Ų10868.8 Ų68.847%0.47434%0.339SS..Hα-helixtrans-64.6-53-179.3-179.1-98.8000112.5L146 A179 L180 N181 G185 Q186 F187L146-F183 HydrophobicContact CD2-CB 3.86Å; L146-F183 HydrophobicContact CD2-CD1 4.23Å; L146-F183 HydrophobicContact CD2-CD2 3.81Å; L146-F183 HydrophobicContact CD2-CE2 4.44Å; L146-F183 HydrophobicContact CD2-CG 3.69Å; A179-F183 WeakPolarHBondContact O-CB 3.25Å; A179-F183 PolarHBondContact O-N 2.95Å; L180-F183 HydrophobicContact CD1-CD1 4.44Å; L180-F183 PolarHBondContact O-N 3.37Å; N181-F183 VanDerWaalsContact C-N 3.32Å; N181-F183 PolarHBondContact O-N 2.92Å; F183-G185 VanDerWaalsContact C-N 3.34Å; F183-G185 PolarHBondContact O-N 3.07Å; F183-Q186 PolarHBondContact O-N 3.1Å; F183-Q186 VanDerWaalsContact O-N 3.16Å; F183-F187 PolarHBondContact O-N 3.48Å
184S91.5Very high94.2Very high23 Ų2366.3 Ų66.316%0.16133%0.333CS..Hα-helixtrans-66.5-36.5-179.7157.50000111.6H111 W115 L180 Q186 F187 L188H111-S184 PolarHBondContact CD2-OG 2.83Å; H111-S184 PolarHBondContact NE2-OG 3.37Å; W115-S184 WeakPolarHBondContact CH2-OG 3.4Å; W115-S184 WeakPolarHBondContact CZ2-OG 3.24Å; L180-S184 WeakPolarHBondContact O-CB 3.34Å; L180-S184 PolarHBondContact O-N 3.38Å; S184-Q186 VanDerWaalsContact C-N 3.35Å; S184-Q186 PolarHBondContact O-N 3.19Å; S184-F187 PolarHBondContact O-N 3.48Å; S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 PolarHBondContact O-N 3.5Å
185G92.5Very high94.3Very high9 Ų963.5 Ų63.59%0.09332%0.321CS..Hα-helixtrans-61.8-39171.500000113.3N181 F183 R189N181-G185 PolarHBondContact O-N 3.27Å; F183-G185 VanDerWaalsContact C-N 3.34Å; F183-G185 PolarHBondContact O-N 3.07Å; G185-R189 VanDerWaalsContact O-CG 3.3Å; G185-R189 WeakPolarHBondContact O-CG 3.37Å; G185-R189 PolarHBondContact O-N 2.87Å
186Q93.6Very high94.3Very high114 Ų11467.8 Ų67.853%0.53334%0.343SS..Hα-helixtrans-67.3-46.1174.9-176.1173.512.600111.8R182 F183 S184 L188 R189 T190R182-Q186 WeakPolarHBondContact O-CB 3.24Å; R182-Q186 PolarHBondContact O-N 3.34Å; F183-Q186 PolarHBondContact O-N 3.1Å; F183-Q186 VanDerWaalsContact O-N 3.16Å; S184-Q186 VanDerWaalsContact C-N 3.35Å; S184-Q186 PolarHBondContact O-N 3.19Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-L188 PolarHBondContact O-N 3.41Å; Q186-R189 PolarHBondContact O-N 3.21Å; Q186-T190 PolarHBondContact O-N 2.87Å; Q186-T190 PolarHBondContact O-OG1 3.37Å
187F92.6Very high94.4Very high142 Ų14273 Ų7362%0.62337%0.369SS*.Hα-helixtrans-58.5-46.8176.9-178.7-95.7000111.4F183 S184 R189 T190 A191F183-F187 PolarHBondContact O-N 3.48Å; S184-F187 PolarHBondContact O-N 3.48Å; F187-R189 PolarHBondContact O-N 3.08Å; F187-T190 PolarHBondContact O-N 3.32Å; F187-A191 WeakPolarHBondContact O-CB 3.29Å; F187-A191 PolarHBondContact O-N 2.99Å
188L93.6Very high94.4Very high18 Ų1874 Ų749%0.09437%0.371CS..Hα-helixtrans-60.2-46.9177178.667.4000111.6L108 H111 S184 Q186 T190 A191 I192L108-L188 HydrophobicContact CD2-CD1 4.2Å; L108-L188 HydrophobicContact CD2-CD2 3.83Å; L108-L188 HydrophobicContact CD2-CG 4.45Å; H111-L188 HydrophobicContact CB-CD2 4.31Å; H111-L188 WeakPolarHBondContact CE1-CD2 3.43Å; H111-L188 VanDerWaalsContact ND1-CD2 3.29Å; H111-L188 WeakPolarHBondContact ND1-CD2 3.46Å; S184-L188 WeakPolarHBondContact O-CB 3.39Å; S184-L188 PolarHBondContact O-N 3.5Å; Q186-L188 VanDerWaalsContact C-N 3.34Å; Q186-L188 PolarHBondContact O-N 3.41Å; L188-T190 VanDerWaalsContact C-N 3.35Å; L188-T190 PolarHBondContact O-N 3.35Å; L188-A191 PolarHBondContact O-N 2.83Å; L188-I192 HydrophobicContact CD1-CD1 4.01Å; L188-I192 HydrophobicContact CD1-CG1 4.2Å; L188-I192 HydrophobicContact CD2-CD1 4.36Å; L188-I192 HydrophobicContact CG-CD1 3.8Å; L188-I192 HydrophobicContact CG-CG1 4.4Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.48Å; L188-I192 PolarHBondContact O-N 3.19Å
189R94.7Very high94.6Very high153 Ų15371.3 Ų71.358%0.57736%0.357SS*.Hα-helixtrans-57.9-47177.4-76.5-173.8-59.2-99.42111.6G185 Q186 F187 I192 V193G185-R189 VanDerWaalsContact O-CG 3.3Å; G185-R189 WeakPolarHBondContact O-CG 3.37Å; G185-R189 PolarHBondContact O-N 2.87Å; Q186-R189 PolarHBondContact O-N 3.21Å; F187-R189 PolarHBondContact O-N 3.08Å; R189-I192 PolarHBondContact O-N 3.06Å; R189-V193 WeakPolarHBondContact O-CG2 3.44Å; R189-V193 PolarHBondContact O-N 3.16Å; R189-V193 VanDerWaalsContact O-N 3.11Å
190T95.2Very high94.7Very high76 Ų7675.5 Ų75.547%0.46638%0.378SS..Hα-helixtrans-63.1-43177.4-61.70000111.6Q186 F187 L188 I192 V193 L194Q186-T190 PolarHBondContact O-N 2.87Å; Q186-T190 PolarHBondContact O-OG1 3.37Å; F187-T190 PolarHBondContact O-N 3.32Å; L188-T190 VanDerWaalsContact C-N 3.35Å; L188-T190 PolarHBondContact O-N 3.35Å; T190-I192 PolarHBondContact O-N 3.14Å; T190-V193 PolarHBondContact O-N 3.37Å; T190-L194 HydrophobicContact CG2-CD1 4Å; T190-L194 HydrophobicContact CG2-CG 4.38Å; T190-L194 WeakPolarHBondContact O-CG 3.47Å; T190-L194 PolarHBondContact O-N 3.41Å
191A94Very high94.9Very high38 Ų3875.7 Ų75.731%0.31438%0.379SS..Hα-helixtrans-62.2-42.417800000112.2F187 L188 L194 S195F187-A191 WeakPolarHBondContact O-CB 3.29Å; F187-A191 PolarHBondContact O-N 2.99Å; L188-A191 PolarHBondContact O-N 2.83Å; A191-L194 PolarHBondContact O-N 2.83Å; A191-S195 WeakPolarHBondContact O-CB 3.43Å; A191-S195 PolarHBondContact O-N 2.88Å
192I95.8Very high95.1Very high67 Ų6772.4 Ų72.434%0.34436%0.361SS..Hα-helixtrans-61.4-46.9176-68.8165.4000110.6L108 L188 R189 T190 S195 L196L108-I192 HydrophobicContact CD2-CD1 4.08Å; L188-I192 HydrophobicContact CD1-CD1 4.01Å; L188-I192 HydrophobicContact CD1-CG1 4.2Å; L188-I192 HydrophobicContact CD2-CD1 4.36Å; L188-I192 HydrophobicContact CG-CD1 3.8Å; L188-I192 HydrophobicContact CG-CG1 4.4Å; L188-I192 VanDerWaalsContact O-CG1 3.28Å; L188-I192 WeakPolarHBondContact O-CG1 3.48Å; L188-I192 PolarHBondContact O-N 3.19Å; R189-I192 PolarHBondContact O-N 3.06Å; T190-I192 PolarHBondContact O-N 3.14Å; I192-S195 WeakPolarHBondContact O-CB 3.44Å; I192-S195 PolarHBondContact O-N 2.91Å; I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.27Å
193V96.9Very high95.4Very high86 Ų8669.9 Ų69.952%0.52136%0.36SS..Hα-helixtrans-62.3-47.8-179.91720000111.2R189 T190 S195 L196 M197R189-V193 WeakPolarHBondContact O-CG2 3.44Å; R189-V193 PolarHBondContact O-N 3.16Å; R189-V193 VanDerWaalsContact O-N 3.11Å; T190-V193 PolarHBondContact O-N 3.37Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 3Å; V193-L196 PolarHBondContact O-N 3.37Å; V193-M197 WeakPolarHBondContact O-CG 3.2Å; V193-M197 PolarHBondContact O-N 3.41Å
194L95.5Very high95.6Very high115 Ų11568.1 Ų68.160%0.60236%0.358SS*.Hα-helixtrans-62-40.8177.2-69.5176.2000111.7T190 A191 M197 F198T190-L194 HydrophobicContact CG2-CD1 4Å; T190-L194 HydrophobicContact CG2-CG 4.38Å; T190-L194 WeakPolarHBondContact O-CG 3.47Å; T190-L194 PolarHBondContact O-N 3.41Å; A191-L194 PolarHBondContact O-N 2.83Å; L194-M197 PolarHBondContact O-N 2.05Å; L194-F198 WeakPolarHBondContact O-CB 3.04Å; L194-F198 PolarHBondContact O-N 3.01Å
195S95.8Very high95.9Very high33 Ų3367 Ų6723%0.23135%0.351CS..Hα-helixtrans-59.5-49.7176.1-1800000111.1Q100 A191 I192 V193 M197 F198 I199Q100-S195 WeakPolarHBondContact CG-OG 3.08Å; Q100-S195 PolarHBondContact NE2-O 3.45Å; Q100-S195 PolarHBondContact NE2-OG 2.92Å; A191-S195 WeakPolarHBondContact O-CB 3.43Å; A191-S195 PolarHBondContact O-N 2.88Å; I192-S195 WeakPolarHBondContact O-CB 3.44Å; I192-S195 PolarHBondContact O-N 2.91Å; V193-S195 VanDerWaalsContact C-N 3.31Å; V193-S195 PolarHBondContact O-N 3Å; S195-M197 VanDerWaalsContact C-N 3.35Å; S195-M197 PolarHBondContact O-N 3.4Å; S195-F198 WeakPolarHBondContact O-CB 3.35Å; S195-F198 PolarHBondContact O-N 2.04Å; S195-F198 VanDerWaalsContact O-N 3.13Å; S195-I199 WeakPolarHBondContact O-CG1 3.07Å; S195-I199 PolarHBondContact O-N 2.94Å
196L96.8Very high96.1Very high92 Ų9267.9 Ų67.948%0.48235%0.353SS..Hα-helixtrans-62-40.1177.8-69.5174.2000112.9I192 V193 F198 I199 I200I192-L196 HydrophobicContact CG2-CD1 4.06Å; I192-L196 HydrophobicContact CG2-CG 4.44Å; I192-L196 WeakPolarHBondContact O-CG 3.37Å; I192-L196 PolarHBondContact O-N 3.27Å; V193-L196 PolarHBondContact O-N 3.37Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.88Å; L196-I199 PolarHBondContact O-N 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.45Å; L196-I200 PolarHBondContact O-N 3.44Å
197M96.8Very high96.3Very high111 Ų11164.4 Ų64.455%0.54735%0.348SS..Hα-helixtrans-62-39.1175-69.2-60.710400111.8V193 L194 S195 I200 L201V193-M197 WeakPolarHBondContact O-CG 3.2Å; V193-M197 PolarHBondContact O-N 3.41Å; L194-M197 PolarHBondContact O-N 2.05Å; S195-M197 VanDerWaalsContact C-N 3.35Å; S195-M197 PolarHBondContact O-N 3.4Å; M197-I200 HydrophobicContact CE-CD1 3.77Å; M197-I200 PolarHBondContact O-N 3.02Å; M197-L201 PolarHBondContact O-N 3.31Å
198F96.3Very high96.4Very high34 Ų3458.4 Ų58.415%0.14932%0.323CS..Hα-helixtrans-67.2-42.2176.7-163.1-104.5000111.9I24 C27 I96 L194 S195 L196 I200 L201 E202I24-F198 HydrophobicContact CG1-CE2 4.14Å; I24-F198 HydrophobicContact CG1-CZ 3.95Å; C27-F198 HydrophobicContact CB-CE2 4.43Å; I96-F198 HydrophobicContact CG2-CE1 4.47Å; L194-F198 WeakPolarHBondContact O-CB 3.04Å; L194-F198 PolarHBondContact O-N 3.01Å; S195-F198 WeakPolarHBondContact O-CB 3.35Å; S195-F198 PolarHBondContact O-N 2.04Å; S195-F198 VanDerWaalsContact O-N 3.13Å; L196-F198 VanDerWaalsContact C-N 3.29Å; L196-F198 PolarHBondContact O-N 2.88Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 3.2Å; F198-L201 HydrophobicContact CD2-CD2 4.4Å; F198-L201 HydrophobicContact CE2-CD2 4.49Å; F198-L201 WeakPolarHBondContact O-CB 3.12Å; F198-L201 PolarHBondContact O-N 3.49Å; F198-L201 VanDerWaalsContact O-N 3.13Å; F198-E202 HydrophobicContact CD1-CG 4.14Å; F198-E202 HydrophobicContact CE1-CG 4.07Å; F198-E202 WeakPolarHBondContact CE1-OE1 2.98Å; F198-E202 WeakPolarHBondContact O-CG 3.36Å; F198-E202 PolarHBondContact O-N 3.4Å
199I97.8Very high96.6Very high25 Ų2557.6 Ų57.613%0.12832%0.319CS..Hα-helixtrans-59.5-43.3174.5-68.5170.5000110.8I97 Q100 L101 S195 L196 L201 E202 V203I97-I199 HydrophobicContact CG2-CG2 4.48Å; Q100-I199 VanDerWaalsContact CD-CG1 3.45Å; Q100-I199 HydrophobicContact CG-CD1 4.2Å; Q100-I199 HydrophobicContact CG-CG1 4.23Å; Q100-I199 VanDerWaalsContact OE1-CG1 3.3Å; L101-I199 HydrophobicContact CD2-CD1 3.89Å; L101-I199 HydrophobicContact CG-CD1 4.44Å; S195-I199 WeakPolarHBondContact O-CG1 3.07Å; S195-I199 PolarHBondContact O-N 2.94Å; L196-I199 PolarHBondContact O-N 3.29Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 3.03Å; I199-E202 PolarHBondContact O-N 3.04Å; I199-V203 HydrophobicContact CG2-CG2 4.27Å; I199-V203 WeakPolarHBondContact O-CB 3.28Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.17Å; I199-V203 PolarHBondContact O-N 3.12Å
200I97.6Very high96.7Very high96 Ų9654.9 Ų54.949%0.49232%0.315SS..Hα-helixtrans-61.9-43.9177.4-67.5167.1000110.5L196 M197 F198 E202 V203 V204L196-I200 WeakPolarHBondContact O-CG1 3.45Å; L196-I200 PolarHBondContact O-N 3.44Å; M197-I200 HydrophobicContact CE-CD1 3.77Å; M197-I200 PolarHBondContact O-N 3.02Å; F198-I200 VanDerWaalsContact C-N 3.31Å; F198-I200 PolarHBondContact O-N 3.2Å; I200-E202 VanDerWaalsContact C-N 3.34Å; I200-E202 PolarHBondContact O-N 3.07Å; I200-V203 PolarHBondContact O-N 3.26Å; I200-V204 WeakPolarHBondContact O-CB 3.42Å; I200-V204 VanDerWaalsContact O-CG2 3.29Å; I200-V204 WeakPolarHBondContact O-CG2 3.38Å; I200-V204 PolarHBondContact O-N 3.14Å
201L96.9Very high96.7Very high46 Ų4657.1 Ų57.124%0.24132%0.316CS..Hα-helixtrans-58.7-45.2175.7-175.181.8000111.5I23 M197 F198 I199 V204 A205I23-L201 HydrophobicContact CB-CD2 4.11Å; I23-L201 HydrophobicContact CD1-CD1 4.11Å; I23-L201 HydrophobicContact CD1-CD2 4.35Å; I23-L201 HydrophobicContact CG2-CD2 3.63Å; M197-L201 PolarHBondContact O-N 3.31Å; F198-L201 HydrophobicContact CD2-CD2 4.4Å; F198-L201 HydrophobicContact CE2-CD2 4.49Å; F198-L201 WeakPolarHBondContact O-CB 3.12Å; F198-L201 PolarHBondContact O-N 3.49Å; F198-L201 VanDerWaalsContact O-N 3.13Å; I199-L201 VanDerWaalsContact C-N 3.33Å; I199-L201 PolarHBondContact O-N 3.03Å; L201-V204 PolarHBondContact O-N 2.81Å; L201-A205 WeakPolarHBondContact O-CB 3.35Å; L201-A205 PolarHBondContact O-N 3.11Å
202E97.5Very high96.8Very high0 Ų055.3 Ų55.30%030%0.301CS..Hα-helixtrans-65.4-44.8178.8-70.4178.4142.100112.1L93 I96 I97 Q100 F198 I199 I200 V204 A205 I206L93-E202 HydrophobicContact CD1-CB 4.47Å; I96-E202 WeakPolarHBondContact CG2-OE1 3.03Å; I97-E202 HydrophobicContact CD1-CB 3.96Å; I97-E202 HydrophobicContact CG1-CB 4.02Å; I97-E202 WeakPolarHBondContact CG1-OE2 3.45Å; Q100-E202 PolarHBondContact OE1-OE2 3.43Å; F198-E202 HydrophobicContact CD1-CG 4.14Å; F198-E202 HydrophobicContact CE1-CG 4.07Å; F198-E202 WeakPolarHBondContact CE1-OE1 2.98Å; F198-E202 WeakPolarHBondContact O-CG 3.36Å; F198-E202 PolarHBondContact O-N 3.4Å; I199-E202 PolarHBondContact O-N 3.04Å; I200-E202 VanDerWaalsContact C-N 3.34Å; I200-E202 PolarHBondContact O-N 3.07Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.02Å; E202-A205 WeakPolarHBondContact O-CB 3.49Å; E202-A205 PolarHBondContact O-N 2.88Å; E202-A205 VanDerWaalsContact O-N 3.15Å; E202-I206 WeakPolarHBondContact O-CB 3.45Å; E202-I206 VanDerWaalsContact O-CG1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.44Å; E202-I206 PolarHBondContact O-N 3.46Å
203V98.1Very high96.8Very high82 Ų8252.7 Ų52.750%0.49729%0.289SS..Hα-helixtrans-61.1-43.2176.6170.30000111I97 I199 I200 A205 I206 G207I97-V203 HydrophobicContact CD1-CG2 3.86Å; I199-V203 HydrophobicContact CG2-CG2 4.27Å; I199-V203 WeakPolarHBondContact O-CB 3.28Å; I199-V203 VanDerWaalsContact O-CG2 3.3Å; I199-V203 WeakPolarHBondContact O-CG2 3.17Å; I199-V203 PolarHBondContact O-N 3.12Å; I200-V203 PolarHBondContact O-N 3.26Å; V203-A205 VanDerWaalsContact C-N 3.35Å; V203-I206 PolarHBondContact O-N 3.03Å; V203-G207 PolarHBondContact O-N 3.3Å
204V97.3Very high96.7Very high70 Ų7051.4 Ų51.442%0.42429%0.288SS..Hα-helixtrans-63-43174.5170.40000110.7T16 I200 L201 E202 G207 C208T16-V204 HydrophobicContact CG2-CG1 3.99Å; I200-V204 WeakPolarHBondContact O-CB 3.42Å; I200-V204 VanDerWaalsContact O-CG2 3.29Å; I200-V204 WeakPolarHBondContact O-CG2 3.38Å; I200-V204 PolarHBondContact O-N 3.14Å; L201-V204 PolarHBondContact O-N 2.81Å; E202-V204 VanDerWaalsContact C-N 3.33Å; E202-V204 PolarHBondContact O-N 3.02Å; V204-G207 PolarHBondContact O-N 2.87Å; V204-C208 WeakPolarHBondContact O-CB 3.11Å; V204-C208 PolarHBondContact O-N 3.43Å; V204-C208 PolarHBondContact O-SG 2.94Å
205A97.6Very high96.6Very high1 Ų148.6 Ų48.61%0.00827%0.269CS..Hα-helixtrans-62.5-44.717800000111.9S20 F89 L93 L201 E202 V203 C208 S209S20-A205 WeakPolarHBondContact OG-CB 3.27Å; F89-A205 HydrophobicContact CE1-CB 4.34Å; F89-A205 HydrophobicContact CZ-CB 4.29Å; L93-A205 HydrophobicContact CD1-CB 3.67Å; L201-A205 WeakPolarHBondContact O-CB 3.35Å; L201-A205 PolarHBondContact O-N 3.11Å; E202-A205 WeakPolarHBondContact O-CB 3.49Å; E202-A205 PolarHBondContact O-N 2.88Å; E202-A205 VanDerWaalsContact O-N 3.15Å; V203-A205 VanDerWaalsContact C-N 3.35Å; A205-C208 PolarHBondContact O-N 3.45Å; A205-S209 WeakPolarHBondContact O-CB 3.5Å; A205-S209 PolarHBondContact O-N 3.44Å; A205-S209 PolarHBondContact O-OG 3.08Å
206I98Very high96.4Very high26 Ų2648 Ų4813%0.13326%0.263CS..Hα-helixtrans-60.6-47.6175.4-68.5164.8000110.8L93 F94 I97 E202 V203 C208 S209 I210L93-I206 HydrophobicContact CB-CD1 3.72Å; L93-I206 HydrophobicContact CB-CG1 3.64Å; L93-I206 HydrophobicContact CD1-CG1 4.02Å; L93-I206 HydrophobicContact CG-CG1 4.42Å; F94-I206 HydrophobicContact CB-CD1 4.28Å; I97-I206 HydrophobicContact CD1-CD1 3.72Å; E202-I206 WeakPolarHBondContact O-CB 3.45Å; E202-I206 VanDerWaalsContact O-CG1 3.23Å; E202-I206 WeakPolarHBondContact O-CG1 3.44Å; E202-I206 PolarHBondContact O-N 3.46Å; V203-I206 PolarHBondContact O-N 3.03Å; I206-C208 VanDerWaalsContact C-N 3.33Å; I206-C208 PolarHBondContact O-N 3.04Å; I206-S209 VanDerWaalsContact CA-OG 3.31Å; I206-S209 WeakPolarHBondContact CA-OG 3.36Å; I206-S209 PolarHBondContact O-N 3.2Å; I206-S209 PolarHBondContact O-OG 3.12Å; I206-I210 HydrophobicContact CG2-CD1 3.68Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 WeakPolarHBondContact O-CB 3.13Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 2.77Å
207G96.7Very high96.3Very high42 Ų4247.2 Ų47.243%0.43326%0.26SS..Hα-helixtrans-61.6-43.1177.900000112.1V203 V204 Y211V203-G207 PolarHBondContact O-N 3.3Å; V204-G207 PolarHBondContact O-N 2.87Å; G207-Y211 WeakPolarHBondContact O-CB 3.35Å; G207-Y211 PolarHBondContact O-N 2.9Å; G207-Y211 VanDerWaalsContact O-N 3.08Å
208C96.4Very high96.1Very high16 Ų1644 Ų4411%0.10825%0.25CS..Hα-helixtrans-67.7-40.9177.9-66.60000112.3L13 V17 V204 A205 I206 L212L13-C208 HydrophobicContact CD2-CB 3.94Å; V17-C208 HydrophobicContact CG2-CB 3.65Å; V204-C208 WeakPolarHBondContact O-CB 3.11Å; V204-C208 PolarHBondContact O-N 3.43Å; V204-C208 PolarHBondContact O-SG 2.94Å; A205-C208 PolarHBondContact O-N 3.45Å; I206-C208 VanDerWaalsContact C-N 3.33Å; I206-C208 PolarHBondContact O-N 3.04Å; C208-L212 WeakPolarHBondContact O-CB 3.21Å; C208-L212 PolarHBondContact O-N 2.75Å
209S96.8Very high95.7Very high0 Ų048.2 Ų48.20%027%0.269CS..Hα-helixtrans-66.9-45.1179.156.90000111.4L86 S90 A205 I206 Y211 L212 A213L86-S209 WeakPolarHBondContact CD2-O 3.46Å; S90-S209 PolarHBondContact OG-OG 3.33Å; A205-S209 WeakPolarHBondContact O-CB 3.5Å; A205-S209 PolarHBondContact O-N 3.44Å; A205-S209 PolarHBondContact O-OG 3.08Å; I206-S209 VanDerWaalsContact CA-OG 3.31Å; I206-S209 WeakPolarHBondContact CA-OG 3.36Å; I206-S209 PolarHBondContact O-N 3.2Å; I206-S209 PolarHBondContact O-OG 3.12Å; S209-Y211 PolarHBondContact O-N 2.96Å; S209-L212 PolarHBondContact O-N 3.47Å; S209-A213 WeakPolarHBondContact O-CB 3.48Å; S209-A213 PolarHBondContact O-N 3.39Å
210I96.9Very high95.3Very high97 Ų9753.7 Ų53.750%0.49730%0.298SS..Hα-helixtrans-62.6-45.4177-67.4170.6000110.5I206 L212 A213 A214I206-I210 HydrophobicContact CG2-CD1 3.68Å; I206-I210 HydrophobicContact CG2-CG1 4.42Å; I206-I210 WeakPolarHBondContact O-CB 3.13Å; I206-I210 VanDerWaalsContact O-CG1 3.28Å; I206-I210 WeakPolarHBondContact O-CG1 3.42Å; I206-I210 PolarHBondContact O-N 2.77Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 3.39Å; I210-A213 WeakPolarHBondContact O-CB 3.19Å; I210-A213 PolarHBondContact O-N 3.29Å; I210-A214 PolarHBondContact O-N 3.27Å
211Y96Very high94.9Very high122 Ų12256.5 Ų56.548%0.47831%0.309SS..Hα-helixtrans-64.7-39.6177.9-174.2-82.1000112H10 L13 G207 S209 Y215H10-Y211 AromaticContact CE1-CE1 3.65Å; H10-Y211 AromaticContact ND1-CE1 3.91Å; L13-Y211 HydrophobicContact CD1-CD1 3.21Å; L13-Y211 HydrophobicContact CD1-CE1 3.38Å; L13-Y211 HydrophobicContact CD1-CG 4.28Å; L13-Y211 HydrophobicContact CD2-CD1 4.46Å; L13-Y211 HydrophobicContact CG-CD1 4.44Å; G207-Y211 WeakPolarHBondContact O-CB 3.35Å; G207-Y211 PolarHBondContact O-N 2.9Å; G207-Y211 VanDerWaalsContact O-N 3.08Å; S209-Y211 PolarHBondContact O-N 2.96Å; Y211-Y215 PolarHBondContact O-N 3.43Å
212L95.5Very high94.1Very high0 Ų064.9 Ų64.90%034%0.338CS..Hα-helixtrans-64.6-40.7176177.858.5000111.5R14 L86 C208 S209 I210 Y215 I216R14-L212 HydrophobicContact CB-CD2 4.44Å; R14-L212 HydrophobicContact CG-CD1 3.71Å; R14-L212 HydrophobicContact CG-CD2 3.56Å; R14-L212 HydrophobicContact CG-CG 4.32Å; L86-L212 HydrophobicContact CD2-CB 3.95Å; L86-L212 HydrophobicContact CD2-CD2 3.83Å; L86-L212 HydrophobicContact CD2-CG 3.71Å; C208-L212 WeakPolarHBondContact O-CB 3.21Å; C208-L212 PolarHBondContact O-N 2.75Å; S209-L212 PolarHBondContact O-N 3.47Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 3.39Å; L212-Y215 PolarHBondContact O-N 3.48Å; L212-I216 HydrophobicContact CD1-CD1 4.14Å; L212-I216 HydrophobicContact CD1-CG1 4.37Å; L212-I216 HydrophobicContact CG-CD1 4.03Å; L212-I216 WeakPolarHBondContact O-CD1 3.47Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.42Å; L212-I216 PolarHBondContact O-N 3.27Å
213A95.9Very high93.9Very high12 Ų1268.1 Ų68.110%0.09936%0.355CS..Hα-helixtrans-60.9-49.9175.100000111.5I83 L86 S209 I210 Y215 I216 D217I83-A213 HydrophobicContact CG2-CB 4.26Å; L86-A213 HydrophobicContact CB-CB 4.26Å; L86-A213 HydrophobicContact CD2-CB 4.11Å; S209-A213 WeakPolarHBondContact O-CB 3.48Å; S209-A213 PolarHBondContact O-N 3.39Å; I210-A213 WeakPolarHBondContact O-CB 3.19Å; I210-A213 PolarHBondContact O-N 3.29Å; A213-Y215 PolarHBondContact O-N 3.47Å; A213-I216 PolarHBondContact O-N 3.34Å; A213-I216 VanDerWaalsContact O-N 3.1Å; A213-D217 PolarHBondContact O-N 2.86Å
214A94.6Very high93.7Very high59 Ų5967.4 Ų67.449%0.48835%0.347SS..Hα-helixtrans-60.2-33.9176.500000112.8I210 A218I210-A214 PolarHBondContact O-N 3.27Å; A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.96Å; A214-A218 VanDerWaalsContact O-N 3.12Å
215Y92.6Very high93.5Very high56 Ų5667.2 Ų67.222%0.2234%0.343CS..Hα-helixtrans-69.6-40.6174.6172.9-107.5000113.1H10 Y211 L212 A213 D217 K219H10-Y215 HydrophobicContact CB-CD1 4.33Å; H10-Y215 HydrophobicContact CB-CE1 4.1Å; H10-Y215 AromaticContact CD2-CD2 3.77Å; H10-Y215 AromaticContact CD2-CE1 3.78Å; H10-Y215 AromaticContact CD2-CE2 3.39Å; H10-Y215 WeakPolarHBondContact CD2-CE2 3.1Å; H10-Y215 AromaticContact CD2-CZ 3.38Å; H10-Y215 AromaticContact CE1-CD1 3.81Å; H10-Y215 AromaticContact CE1-CD2 3.01Å; H10-Y215 WeakPolarHBondContact CE1-CD2 3.31Å; H10-Y215 AromaticContact CE1-CE2 3.5Å; H10-Y215 AromaticContact CE1-CG 3.16Å; H10-Y215 AromaticContact CG-CD1 3.72Å; H10-Y215 AromaticContact CG-CE1 3.65Å; H10-Y215 AromaticContact CG-CE2 3.99Å; H10-Y215 AromaticContact CG-CG 3.89Å; H10-Y215 AromaticContact CG-CZ 3.76Å; H10-Y215 AromaticContact ND1-CD1 3.49Å; H10-Y215 WeakPolarHBondContact ND1-CD1 3.42Å; H10-Y215 AromaticContact ND1-CD2 3.62Å; H10-Y215 AromaticContact ND1-CE1 3.91Å; H10-Y215 AromaticContact ND1-CG 3.29Å; H10-Y215 VanDerWaalsContact ND1-CG 3.29Å; H10-Y215 AromaticContact NE2-CD2 3.12Å; H10-Y215 WeakPolarHBondContact NE2-CD2 3.5Å; H10-Y215 AromaticContact NE2-CE2 3.08Å; H10-Y215 WeakPolarHBondContact NE2-CE2 3.27Å; H10-Y215 AromaticContact NE2-CG 3.7Å; H10-Y215 AromaticContact NE2-CZ 3.63Å; Y211-Y215 PolarHBondContact O-N 3.43Å; L212-Y215 PolarHBondContact O-N 3.48Å; A213-Y215 PolarHBondContact O-N 3.47Å; Y215-D217 VanDerWaalsContact C-N 3.33Å; Y215-K219 WeakPolarHBondContact O-CB 3.18Å; Y215-K219 PolarHBondContact O-N 3.33Å; Y215-K219 VanDerWaalsContact O-N 3.09Å
216I92.8Very high93.2Very high21 Ų2171.1 Ų71.111%0.10836%0.363CS..Hα-helixtrans-64.1-43.5178-66.6160.5000109.3N81 I83 L86 L212 A213 K219 D220N81-I216 HydrophobicContact CB-CD1 3.86Å; N81-I216 HydrophobicContact CB-CG1 4.32Å; I83-I216 HydrophobicContact CD1-CB 4.3Å; I83-I216 HydrophobicContact CD1-CG2 3.92Å; I83-I216 HydrophobicContact CG1-CB 3.95Å; I83-I216 HydrophobicContact CG1-CG2 3.71Å; L86-I216 HydrophobicContact CD2-CD1 4.32Å; L212-I216 HydrophobicContact CD1-CD1 4.14Å; L212-I216 HydrophobicContact CD1-CG1 4.37Å; L212-I216 HydrophobicContact CG-CD1 4.03Å; L212-I216 WeakPolarHBondContact O-CD1 3.47Å; L212-I216 VanDerWaalsContact O-CG1 3.28Å; L212-I216 WeakPolarHBondContact O-CG1 3.42Å; L212-I216 PolarHBondContact O-N 3.27Å; A213-I216 PolarHBondContact O-N 3.34Å; A213-I216 VanDerWaalsContact O-N 3.1Å; I216-K219 WeakPolarHBondContact O-CB 3.46Å; I216-K219 PolarHBondContact O-N 3.12Å; I216-D220 PolarHBondContact O-N 3.1Å
217D94.1Very high92.9Very high76 Ų7673.9 Ų73.941%0.40638%0.377SS..Hα-helixtrans-57.1-52175.8-173.763000112I83 A213 Y215 K219 D220 Q221I83-D217 HydrophobicContact CD1-CB 3.83Å; A213-D217 PolarHBondContact O-N 2.86Å; Y215-D217 VanDerWaalsContact C-N 3.33Å; D217-K219 PolarHBondContact O-N 2.66Å; D217-K219 VanDerWaalsContact O-N 3.08Å; D217-D220 PolarHBondContact O-N 3.43Å; D217-D220 VanDerWaalsContact O-N 3.09Å; D217-Q221 PolarHBondContact O-N 3.22Å
218A92.1Very high92.7Very high42 Ų4276.1 Ų76.135%0.34737%0.373SS..Hα-helixtrans-68.6-8.3176.900000114.8A214 R222A214-A218 WeakPolarHBondContact O-CB 3.47Å; A214-A218 PolarHBondContact O-N 2.96Å; A214-A218 VanDerWaalsContact O-N 3.12Å; A218-R222 PolarHBondContact O-NE 3.47Å
219K89.3Confident92.4Very high123 Ų12380.4 Ų80.454%0.53539%0.392SS..Hα-helixtrans-91.3-38171.1-175.2-170169.7-158.60110.6Y215 I216 D217 Q221 R222Y215-K219 WeakPolarHBondContact O-CB 3.18Å; Y215-K219 PolarHBondContact O-N 3.33Å; Y215-K219 VanDerWaalsContact O-N 3.09Å; I216-K219 WeakPolarHBondContact O-CB 3.46Å; I216-K219 PolarHBondContact O-N 3.12Å; D217-K219 PolarHBondContact O-N 2.66Å; D217-K219 VanDerWaalsContact O-N 3.08Å; K219-Q221 VanDerWaalsContact C-N 3.26Å; K219-Q221 PolarHBondContact O-N 2.84Å; K219-R222 PolarHBondContact O-N 2.94Å
220D89.1Confident92.1Very high140 Ų14086.5 Ų86.575%0.74942%0.422SS*.Hα-helixtrans-65.3-32.2178.6-163.162.9000112.1I216 D217 R222I216-D220 PolarHBondContact O-N 3.1Å; D217-D220 PolarHBondContact O-N 3.43Å; D217-D220 VanDerWaalsContact O-N 3.09Å; D220-R222 PolarHBondContact O-N 2.93Å
221Q88.5Confident91.7Very high155 Ų15585.7 Ų85.772%0.72442%0.416SS*.THydrogen-bonded Turntrans-71.9-5.3174.5-65.8-176.3-16.100115.3D217 K219D217-Q221 PolarHBondContact O-N 3.22Å; K219-Q221 VanDerWaalsContact C-N 3.26Å; K219-Q221 PolarHBondContact O-N 2.84Å
222R79.5Confident91.3Very high222 Ų22282.4 Ų82.484%0.83841%0.41SS*.  trans-114.10-173.4-108.7-167.9-71.7159.90.2112.5A218 K219 D220A218-R222 PolarHBondContact O-NE 3.47Å; K219-R222 PolarHBondContact O-N 2.94Å; D220-R222 PolarHBondContact O-N 2.93Å

Retrieved 222 of 222 residues in 59.9 ms (Link to these results)

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