A0A077ZKI1_TRITR Loading...

Transposase family protein

AlphaFold DB , UniProt , Accession A0A077ZKI1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 438 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
1M38.1Very low70.9Confident204 Ų204100.5 Ų100.5100%1.00550%0.498SS*.  0-40.10-79.5-176.2179.100113.2I4M1-I4 PolarHBondContact O-N 2.85Å
2S50.7Low72.6Confident108 Ų108102.3 Ų102.376%0.75551%0.511SS*.Hα-helixtrans-55.8-49.3178174.70000113.7I4 K5S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.34Å; S2-K5 PolarHBondContact O-N 3.2Å
3S57Low74Confident65 Ų65101.8 Ų101.846%0.45552%0.521SS..Hα-helixtrans-57.1-39.8-179.2480000113.9K5 N6 I7S3-K5 PolarHBondContact O-N 3.07Å; S3-N6 PolarHBondContact O-N 3.21Å; S3-I7 PolarHBondContact O-N 2.98Å
4I58.9Low75.3Confident69 Ų6997.9 Ų97.935%0.35450%0.502SS..Hα-helixtrans-70.6-29.4-177.2-61.9172.8000112.4M1 S2 I7 Y73 Y93M1-I4 PolarHBondContact O-N 2.85Å; S2-I4 VanDerWaalsContact C-N 3.33Å; S2-I4 PolarHBondContact O-N 3.34Å; I4-I7 HydrophobicContact CG2-CD1 4.44Å; I4-I7 WeakPolarHBondContact O-CG1 3.35Å; I4-Y73 HydrophobicContact CG2-CD2 4.09Å; I4-Y73 HydrophobicContact CG2-CE2 4.11Å; I4-Y93 HydrophobicContact CG1-CE1 4.29Å
5K60.8Low76.7Confident159 Ų15991.7 Ų91.769%0.69147%0.47SS*.Hα-helixtrans-69.1-38175-79.1-171.7176.8-177.60111S2 S3 K8 Y9S2-K5 PolarHBondContact O-N 3.2Å; S3-K5 PolarHBondContact O-N 3.07Å; K5-K8 PolarHBondContact O-N 3.41Å; K5-Y9 WeakPolarHBondContact O-CD2 3.33Å
6N75.8Confident77.8Confident66 Ų6694.4 Ų94.435%0.35348%0.477SS..Hα-helixtrans-70.7-39-174.8-151.40.6000112.4S3 K8 Y9 P32 D34S3-N6 PolarHBondContact O-N 3.21Å; N6-K8 PolarHBondContact O-N 3.41Å; N6-Y9 PolarHBondContact O-N 3.4Å; N6-P32 WeakPolarHBondContact O-CB 3.17Å; N6-D34 PolarHBondContact ND2-OD2 2.86Å
7I84.1Confident78.9Confident3 Ų392.2 Ų92.22%0.01547%0.47CS..THydrogen-bonded Turntrans-63.6-12.3179.862.4167.9000115.2S3 I4 P32 T50 Y93S3-I7 PolarHBondContact O-N 2.98Å; I4-I7 HydrophobicContact CG2-CD1 4.44Å; I4-I7 WeakPolarHBondContact O-CG1 3.35Å; I7-P32 HydrophobicContact CG2-CG 4.42Å; I7-T50 HydrophobicContact CG2-CG2 3.78Å; I7-Y93 HydrophobicContact CD1-CD1 3.86Å; I7-Y93 HydrophobicContact CD1-CD2 3.68Å; I7-Y93 HydrophobicContact CD1-CE1 4.47Å; I7-Y93 HydrophobicContact CD1-CE2 4.33Å; I7-Y93 HydrophobicContact CD1-CG 3.4Å; I7-Y93 HydrophobicContact CG2-CD2 4.1Å; I7-Y93 HydrophobicContact CG2-CE2 4.17Å
8K82.1Confident79.9Confident113 Ų11387.3 Ų87.349%0.49145%0.445SS..THydrogen-bonded Turntrans-78.6-23.3179.9-68.6-171.2177.4-1770112.8K5 N6K5-K8 PolarHBondContact O-N 3.41Å; N6-K8 PolarHBondContact O-N 3.41Å
9Y87.9Confident80.7Confident174 Ų17484.2 Ų84.268%0.68243%0.428SS*.SBendtrans-99.8101.9-176.4-60.5-79.7000109.3K5 N6 P32K5-Y9 WeakPolarHBondContact O-CD2 3.33Å; N6-Y9 PolarHBondContact O-N 3.4Å; Y9-P32 VanDerWaalsContact O-CA 3.26Å; Y9-P32 WeakPolarHBondContact O-CA 3.37Å; Y9-P32 WeakPolarHBondContact O-CB 3.36Å
10K91.1Very high81.5Confident94 Ų9486.4 Ų86.441%0.40944%0.437SS..  trans-64.4131.2174.3175.7-169.8170.4177.10109.8N12 D15 T30K10-N12 WeakPolarHBondContact CE-OD1 3.4Å; K10-D15 HydrophobicContact CD-CB 4.44Å; K10-D15 VanDerWaalsContact CE-CG 3.41Å; K10-D15 WeakPolarHBondContact CE-OD2 3.46Å; K10-D15 HydrophobicContact CG-CB 4.05Å; K10-D15 IonicContact NZ-OD2 3.38Å; K10-D15 PolarHBondContact NZ-OD2 3.05Å; K10-T30 HydrophobicContact CD-CG2 3.99Å; K10-T30 HydrophobicContact CG-CG2 4.35Å
11D93.3Very high82Confident51 Ų5187.6 Ų87.627%0.27344%0.443SS..  trans-91.9117.6164.4-176.888.7000109.3C13 L14 D15 F31 K33D11-C13 VanDerWaalsContact C-N 3.34Å; D11-C13 PolarHBondContact O-N 3.45Å; D11-C13 PolarHBondContact OD2-N 3.18Å; D11-C13 VanDerWaalsContact OD2-N 3.17Å; D11-L14 HydrophobicContact CB-CB 4.14Å; D11-L14 VanDerWaalsContact OD2-CB 3.3Å; D11-L14 WeakPolarHBondContact OD2-CB 3.44Å; D11-L14 PolarHBondContact OD2-N 3.07Å; D11-D15 WeakPolarHBondContact O-CB 3.49Å; D11-D15 PolarHBondContact O-N 3.37Å; D11-F31 PolarHBondContact N-O 3.47Å; D11-K33 HydrophobicContact CB-CB 4.24Å
12N91.1Very high84.7Confident121 Ų12179 Ų7965%0.64740%0.401SS*.Hα-helixtrans-65.8-34.4-171.5-76.6-34.8000113.6K10K10-N12 WeakPolarHBondContact CE-OD1 3.4Å
13C91.1Very high86.8Confident96 Ų9679 Ų7965%0.64939%0.393SS*.Hα-helixtrans-75-50.4-178.8-173.40000110.2D11 K16 T17D11-C13 VanDerWaalsContact C-N 3.34Å; D11-C13 PolarHBondContact O-N 3.45Å; D11-C13 PolarHBondContact OD2-N 3.18Å; D11-C13 VanDerWaalsContact OD2-N 3.17Å; C13-K16 PolarHBondContact O-N 3.47Å; C13-T17 PolarHBondContact O-N 3.2Å; C13-T17 PolarHBondContact O-OG1 2.61Å; C13-T17 VanDerWaalsContact O-OG1 3.11Å
14L92.7Very high88.7Confident47 Ų4776.1 Ų76.125%0.24637%0.372CS..Hα-helixtrans-69.7-36.8-177.4-17062.9000112.1D11 K16 T17 I18 P32 K33 A35D11-L14 HydrophobicContact CB-CB 4.14Å; D11-L14 VanDerWaalsContact OD2-CB 3.3Å; D11-L14 WeakPolarHBondContact OD2-CB 3.44Å; D11-L14 PolarHBondContact OD2-N 3.07Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 2.86Å; L14-T17 PolarHBondContact O-N 3.13Å; L14-I18 HydrophobicContact CD1-CD1 4.04Å; L14-I18 HydrophobicContact CD1-CG1 4.12Å; L14-I18 HydrophobicContact CD2-CD1 4.19Å; L14-I18 HydrophobicContact CG-CD1 3.68Å; L14-I18 HydrophobicContact CG-CG1 4.17Å; L14-I18 WeakPolarHBondContact O-CB 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.36Å; L14-I18 PolarHBondContact O-N 3.36Å; L14-P32 WeakPolarHBondContact CD2-O 3.44Å; L14-K33 WeakPolarHBondContact CD2-O 3.24Å; L14-A35 HydrophobicContact CD2-CB 4.2Å
15D95.7Very high90.4Very high6 Ų679.6 Ų79.63%0.03239%0.387CS..Hα-helixtrans-55.5-48.3173.6179.372.5000111.9K10 D11 K19 T30 F31K10-D15 HydrophobicContact CD-CB 4.44Å; K10-D15 VanDerWaalsContact CE-CG 3.41Å; K10-D15 WeakPolarHBondContact CE-OD2 3.46Å; K10-D15 HydrophobicContact CG-CB 4.05Å; K10-D15 IonicContact NZ-OD2 3.38Å; K10-D15 PolarHBondContact NZ-OD2 3.05Å; D11-D15 WeakPolarHBondContact O-CB 3.49Å; D11-D15 PolarHBondContact O-N 3.37Å; D15-K19 VanDerWaalsContact O-CB 3.3Å; D15-K19 WeakPolarHBondContact O-CB 3.42Å; D15-K19 VanDerWaalsContact O-CG 3.28Å; D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.03Å; D15-K19 WeakPolarHBondContact OD1-CE 3.28Å; D15-K19 IonicContact OD1-NZ 3.29Å; D15-K19 PolarHBondContact OD1-NZ 2.97Å; D15-K19 IonicContact OD2-NZ 3.91Å; D15-K19 PolarHBondContact OD2-NZ 3.32Å; D15-T30 VanDerWaalsContact OD1-CA 3.27Å; D15-T30 WeakPolarHBondContact OD1-CA 3.42Å; D15-F31 WeakPolarHBondContact OD1-CD2 3.39Å; D15-F31 PolarHBondContact OD1-N 3.11Å; D15-F31 VanDerWaalsContact OD1-N 3.1Å
16K94.9Very high92.1Very high134 Ų13472.8 Ų72.858%0.58336%0.358SS*.Hα-helixtrans-62-46.5179.6-174-179.3178.4-176.60110.9C13 L14 K19 Q20C13-K16 PolarHBondContact O-N 3.47Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 2.86Å; K16-K19 PolarHBondContact O-N 3.38Å; K16-Q20 VanDerWaalsContact O-CG 3.3Å; K16-Q20 WeakPolarHBondContact O-CG 3.4Å; K16-Q20 PolarHBondContact O-N 3.3Å
17T95.9Very high93Very high58 Ų5874 Ų7436%0.35637%0.372SS..Hα-helixtrans-63.9-47.6-178.9-58.10000111.9C13 L14 K19 Q20 I21C13-T17 PolarHBondContact O-N 3.2Å; C13-T17 PolarHBondContact O-OG1 2.61Å; C13-T17 VanDerWaalsContact O-OG1 3.11Å; L14-T17 PolarHBondContact O-N 3.13Å; T17-K19 PolarHBondContact O-N 3.02Å; T17-Q20 PolarHBondContact O-N 3.02Å; T17-I21 HydrophobicContact CG2-CD1 3.88Å; T17-I21 WeakPolarHBondContact O-CG1 3.34Å; T17-I21 PolarHBondContact O-N 3.5Å
18I96.2Very high93.6Very high3 Ų376.6 Ų76.62%0.01539%0.386CS..Hα-helixtrans-63.9-43.6179-68.1172.9000110.6L14 Q20 I21 L22 F31 A35 V36 F49L14-I18 HydrophobicContact CD1-CD1 4.04Å; L14-I18 HydrophobicContact CD1-CG1 4.12Å; L14-I18 HydrophobicContact CD2-CD1 4.19Å; L14-I18 HydrophobicContact CG-CD1 3.68Å; L14-I18 HydrophobicContact CG-CG1 4.17Å; L14-I18 WeakPolarHBondContact O-CB 3.33Å; L14-I18 WeakPolarHBondContact O-CG1 3.36Å; L14-I18 PolarHBondContact O-N 3.36Å; I18-Q20 VanDerWaalsContact C-N 3.29Å; I18-Q20 PolarHBondContact O-N 3.38Å; I18-I21 PolarHBondContact O-N 3.43Å; I18-L22 HydrophobicContact CG2-CD1 3.69Å; I18-L22 HydrophobicContact CG2-CG 4.11Å; I18-L22 WeakPolarHBondContact O-CB 3.46Å; I18-L22 WeakPolarHBondContact O-CG 2.93Å; I18-L22 PolarHBondContact O-N 3.32Å; I18-F31 HydrophobicContact CB-CD2 4.04Å; I18-F31 HydrophobicContact CB-CE2 4.29Å; I18-F31 HydrophobicContact CB-CG 4.21Å; I18-F31 HydrophobicContact CD1-CB 3.9Å; I18-F31 HydrophobicContact CD1-CD1 4.09Å; I18-F31 HydrophobicContact CD1-CG 3.95Å; I18-F31 HydrophobicContact CG2-CD1 3.93Å; I18-F31 HydrophobicContact CG2-CD2 3.78Å; I18-F31 HydrophobicContact CG2-CE1 3.77Å; I18-F31 HydrophobicContact CG2-CE2 3.62Å; I18-F31 HydrophobicContact CG2-CG 3.94Å; I18-F31 HydrophobicContact CG2-CZ 3.61Å; I18-A35 HydrophobicContact CD1-CB 3.59Å; I18-V36 HydrophobicContact CD1-CG2 3.75Å; I18-V36 HydrophobicContact CG1-CG2 4.3Å; I18-F49 HydrophobicContact CD1-CD1 4.19Å; I18-F49 HydrophobicContact CG1-CD1 4.19Å; I18-F49 HydrophobicContact CG1-CE1 4.36Å; I18-F49 HydrophobicContact CG2-CD1 3.76Å; I18-F49 HydrophobicContact CG2-CE1 4.32Å
19K96.5Very high94.3Very high28 Ų2871.2 Ų71.212%0.12236%0.362CS..Hα-helixtrans-58.7-41.3176.5-80.5176.4173.7159.70112.5D15 K16 T17 N23 I24 I29 F31D15-K19 VanDerWaalsContact O-CB 3.3Å; D15-K19 WeakPolarHBondContact O-CB 3.42Å; D15-K19 VanDerWaalsContact O-CG 3.28Å; D15-K19 WeakPolarHBondContact O-CG 3.4Å; D15-K19 PolarHBondContact O-N 3.03Å; D15-K19 WeakPolarHBondContact OD1-CE 3.28Å; D15-K19 IonicContact OD1-NZ 3.29Å; D15-K19 PolarHBondContact OD1-NZ 2.97Å; D15-K19 IonicContact OD2-NZ 3.91Å; D15-K19 PolarHBondContact OD2-NZ 3.32Å; K16-K19 PolarHBondContact O-N 3.38Å; T17-K19 PolarHBondContact O-N 3.02Å; K19-N23 CarbonylContact O-C 3.58Å; K19-N23 WeakPolarHBondContact O-CA 3.32Å; K19-N23 PolarHBondContact O-N 2.82Å; K19-I24 HydrophobicContact CB-CB 4.42Å; K19-I24 WeakPolarHBondContact CB-O 3.26Å; K19-I24 HydrophobicContact CG-CB 4.1Å; K19-I24 HydrophobicContact CG-CG2 4.21Å; K19-I24 PolarHBondContact O-N 3.44Å; K19-I29 WeakPolarHBondContact CE-O 3.26Å; K19-I29 PolarHBondContact NZ-O 3.24Å; K19-F31 HydrophobicContact CG-CD2 4.41Å; K19-F31 HydrophobicContact CG-CE2 4.07Å
20Q95.2Very high94.8Very high128 Ų12864.3 Ų64.360%0.59834%0.338SS*.Hα-helixtrans-64.5-47.3175.8-74.4175.9-20.900111.7K16 T17 I18 L22 N23K16-Q20 VanDerWaalsContact O-CG 3.3Å; K16-Q20 WeakPolarHBondContact O-CG 3.4Å; K16-Q20 PolarHBondContact O-N 3.3Å; T17-Q20 PolarHBondContact O-N 3.02Å; I18-Q20 VanDerWaalsContact C-N 3.29Å; I18-Q20 PolarHBondContact O-N 3.38Å; Q20-L22 PolarHBondContact O-N 2.89Å; Q20-N23 PolarHBondContact O-N 3.12Å
21I93.3Very high95.1Very high113 Ų11359.9 Ų59.958%0.57932%0.319SS*.Hα-helixtrans-63.3-42.3-179.7-68168.7000111.6T17 I18 N23T17-I21 HydrophobicContact CG2-CD1 3.88Å; T17-I21 WeakPolarHBondContact O-CG1 3.34Å; T17-I21 PolarHBondContact O-N 3.5Å; I18-I21 PolarHBondContact O-N 3.43Å; I21-N23 VanDerWaalsContact C-N 3.33Å
22L94.5Very high95.2Very high24 Ų2457.6 Ų57.613%0.12631%0.307CS..Hα-helixtrans-890.4-177.3-61-173.3000113.8I18 Q20 I24 F31 F49 L80 Y112I18-L22 HydrophobicContact CG2-CD1 3.69Å; I18-L22 HydrophobicContact CG2-CG 4.11Å; I18-L22 WeakPolarHBondContact O-CB 3.46Å; I18-L22 WeakPolarHBondContact O-CG 2.93Å; I18-L22 PolarHBondContact O-N 3.32Å; Q20-L22 PolarHBondContact O-N 2.89Å; L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 HydrophobicContact CB-CD1 3.72Å; L22-I24 HydrophobicContact CB-CG1 3.89Å; L22-I24 HydrophobicContact CD1-CD1 3.9Å; L22-I24 HydrophobicContact CG-CD1 4.47Å; L22-I24 PolarHBondContact O-N 3.03Å; L22-F31 HydrophobicContact CD1-CZ 4.5Å; L22-F49 HydrophobicContact CD1-CB 4.06Å; L22-F49 HydrophobicContact CD1-CD1 4.11Å; L22-F49 HydrophobicContact CD1-CD2 4.03Å; L22-F49 HydrophobicContact CD1-CG 3.8Å; L22-F49 HydrophobicContact CD2-CD2 4.22Å; L22-F49 HydrophobicContact CD2-CE2 3.97Å; L22-F49 HydrophobicContact CD2-CZ 4.21Å; L22-L80 HydrophobicContact CD1-CD1 3.99Å; L22-L80 HydrophobicContact CD2-CD1 3.78Å; L22-L80 HydrophobicContact CG-CD1 4.47Å; L22-Y112 PolarHBondContact O-OH 3.01Å
23N95.2Very high95.2Very high106 Ų10659 Ų5957%0.56731%0.307SS*.THydrogen-bonded Turntrans51.647.1-174.5-160.543.9000113.2K19 Q20 I21 H25K19-N23 CarbonylContact O-C 3.58Å; K19-N23 WeakPolarHBondContact O-CA 3.32Å; K19-N23 PolarHBondContact O-N 2.82Å; Q20-N23 PolarHBondContact O-N 3.12Å; I21-N23 VanDerWaalsContact C-N 3.33Å; N23-H25 PolarHBondContact OD1-CE1 3.5Å; N23-H25 PolarHBondContact OD1-NE2 3.44Å
24I96.2Very high95.1Very high5 Ų559.5 Ų59.53%0.02630%0.303CS..  trans-97.3115.2177.3-63.9167.3000108.6K19 L22 D26 I29 F31 L90 Y112K19-I24 HydrophobicContact CB-CB 4.42Å; K19-I24 WeakPolarHBondContact CB-O 3.26Å; K19-I24 HydrophobicContact CG-CB 4.1Å; K19-I24 HydrophobicContact CG-CG2 4.21Å; K19-I24 PolarHBondContact O-N 3.44Å; L22-I24 VanDerWaalsContact C-N 3.32Å; L22-I24 HydrophobicContact CB-CD1 3.72Å; L22-I24 HydrophobicContact CB-CG1 3.89Å; L22-I24 HydrophobicContact CD1-CD1 3.9Å; L22-I24 HydrophobicContact CG-CD1 4.47Å; L22-I24 PolarHBondContact O-N 3.03Å; I24-D26 HydrophobicContact CG2-CB 4.27Å; I24-I29 HydrophobicContact CG2-CB 4.17Å; I24-I29 HydrophobicContact CG2-CD1 3.92Å; I24-I29 HydrophobicContact CG2-CG2 4.44Å; I24-F31 HydrophobicContact CD1-CE2 4.12Å; I24-F31 HydrophobicContact CD1-CZ 3.79Å; I24-L90 HydrophobicContact CD1-CD2 4.5Å; I24-Y112 HydrophobicContact CB-CE2 4.35Å; I24-Y112 HydrophobicContact CD1-CE1 4.32Å; I24-Y112 HydrophobicContact CD1-CE2 4.36Å; I24-Y112 HydrophobicContact CG1-CD2 3.79Å; I24-Y112 HydrophobicContact CG1-CE1 4.14Å; I24-Y112 HydrophobicContact CG1-CE2 3.35Å; I24-Y112 HydrophobicContact CG1-CG 4.34Å
25H95Very high95.2Very high142 Ų14257.2 Ų57.266%0.65729%0.292SS*.  trans-101.1-7.3174.8-53-64.3000113.1N23 S27 Y111N23-H25 PolarHBondContact OD1-CE1 3.5Å; N23-H25 PolarHBondContact OD1-NE2 3.44Å; H25-S27 PolarHBondContact O-N 2.93Å; H25-S27 VanDerWaalsContact O-N 3.14Å; H25-Y111 WeakPolarHBondContact CA-OH 3.39Å; H25-Y111 WeakPolarHBondContact CB-OH 3.29Å; H25-Y111 PolarHBondContact N-OH 2.91Å
26D96.2Very high95.2Very high16 Ų1660.4 Ų60.49%0.08631%0.311CS..  trans-67111.2174.7-167.3-19.9000110.1I24 N28 I29 T110 Y111I24-D26 HydrophobicContact CG2-CB 4.27Å; D26-N28 PolarHBondContact O-N 3.35Å; D26-N28 VanDerWaalsContact OD1-CB 3.3Å; D26-N28 WeakPolarHBondContact OD1-CB 3.45Å; D26-N28 PolarHBondContact OD1-N 3.38Å; D26-N28 PolarHBondContact OD1-ND2 3.29Å; D26-I29 HydrophobicContact CB-CD1 4.09Å; D26-I29 HydrophobicContact CB-CG1 4.11Å; D26-I29 PolarHBondContact O-N 3.45Å; D26-T110 WeakPolarHBondContact OD2-CB 3.19Å; D26-T110 PolarHBondContact OD2-OG1 3.28Å; D26-Y111 HydrophobicContact CB-CD1 4.48Å; D26-Y111 HydrophobicContact CB-CE1 3.86Å
27S95.1Very high95.1Very high92 Ų9255.7 Ų55.764%0.64330%0.295SS*.THydrogen-bonded Turntrans-67.3-20.5-179.956.20000113H25 I29H25-S27 PolarHBondContact O-N 2.93Å; H25-S27 VanDerWaalsContact O-N 3.14Å; S27-I29 VanDerWaalsContact C-N 3.32Å
28N96.5Very high95Very high58 Ų5858.7 Ų58.731%0.3130%0.303SS..THydrogen-bonded Turntrans-81.6-11.4-179.2-53.9-65.4000113.3D26 L53 S54 Y55D26-N28 PolarHBondContact O-N 3.35Å; D26-N28 VanDerWaalsContact OD1-CB 3.3Å; D26-N28 WeakPolarHBondContact OD1-CB 3.45Å; D26-N28 PolarHBondContact OD1-N 3.38Å; D26-N28 PolarHBondContact OD1-ND2 3.29Å; N28-L53 HydrophobicContact CB-CD1 3.78Å; N28-L53 WeakPolarHBondContact O-CA 3.24Å; N28-S54 PolarHBondContact O-N 3.11Å; N28-Y55 HydrophobicContact CB-CD1 3.99Å
29I97.3Very high94.8Very high0 Ų061.8 Ų61.80%032%0.317CS..EExtended strand (participates in β ladder)trans-84127.9168.3-61-179.2000107.4K19 I24 D26 S27 F31 R52 L53 L92 T110K19-I29 WeakPolarHBondContact CE-O 3.26Å; K19-I29 PolarHBondContact NZ-O 3.24Å; I24-I29 HydrophobicContact CG2-CB 4.17Å; I24-I29 HydrophobicContact CG2-CD1 3.92Å; I24-I29 HydrophobicContact CG2-CG2 4.44Å; D26-I29 HydrophobicContact CB-CD1 4.09Å; D26-I29 HydrophobicContact CB-CG1 4.11Å; D26-I29 PolarHBondContact O-N 3.45Å; S27-I29 VanDerWaalsContact C-N 3.32Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.73Å; I29-R52 CarbonylContact C-O 3.58Å; I29-R52 WeakPolarHBondContact CA-O 3.17Å; I29-L53 HydrophobicContact CG1-CB 4.34Å; I29-L53 HydrophobicContact CG1-CD1 3.78Å; I29-L92 HydrophobicContact CG2-CD1 4.1Å; I29-T110 HydrophobicContact CD1-CG2 4.43Å
30T97.2Very high94.6Very high29 Ų2967.2 Ų67.218%0.17834%0.341CS..EExtended strand (participates in β ladder)trans-133145.5179.358.40000111.7K10 D15 G51 R52K10-T30 HydrophobicContact CD-CG2 3.99Å; K10-T30 HydrophobicContact CG-CG2 4.35Å; D15-T30 VanDerWaalsContact OD1-CA 3.27Å; D15-T30 WeakPolarHBondContact OD1-CA 3.42Å; T30-G51 WeakPolarHBondContact O-CA 3.42Å; T30-R52 PolarHBondContact N-O 3.09Å; T30-R52 PolarHBondContact O-N 3.01Å
31F97.3Very high94.2Very high0 Ų062 Ų620%032%0.317CS..  trans-115.5133.8179.9-61.6-84.1000112.3D11 D15 I18 K19 L22 I24 I29 A35 F49 T50 L90D11-F31 PolarHBondContact N-O 3.47Å; D15-F31 WeakPolarHBondContact OD1-CD2 3.39Å; D15-F31 PolarHBondContact OD1-N 3.11Å; D15-F31 VanDerWaalsContact OD1-N 3.1Å; I18-F31 HydrophobicContact CB-CD2 4.04Å; I18-F31 HydrophobicContact CB-CE2 4.29Å; I18-F31 HydrophobicContact CB-CG 4.21Å; I18-F31 HydrophobicContact CD1-CB 3.9Å; I18-F31 HydrophobicContact CD1-CD1 4.09Å; I18-F31 HydrophobicContact CD1-CG 3.95Å; I18-F31 HydrophobicContact CG2-CD1 3.93Å; I18-F31 HydrophobicContact CG2-CD2 3.78Å; I18-F31 HydrophobicContact CG2-CE1 3.77Å; I18-F31 HydrophobicContact CG2-CE2 3.62Å; I18-F31 HydrophobicContact CG2-CG 3.94Å; I18-F31 HydrophobicContact CG2-CZ 3.61Å; K19-F31 HydrophobicContact CG-CD2 4.41Å; K19-F31 HydrophobicContact CG-CE2 4.07Å; L22-F31 HydrophobicContact CD1-CZ 4.5Å; I24-F31 HydrophobicContact CD1-CE2 4.12Å; I24-F31 HydrophobicContact CD1-CZ 3.79Å; I29-F31 HydrophobicContact CG2-CE2 3.72Å; I29-F31 HydrophobicContact CG2-CZ 3.73Å; F31-A35 HydrophobicContact CB-CB 3.82Å; F31-A35 HydrophobicContact CD1-CB 4.12Å; F31-A35 HydrophobicContact CG-CB 4.44Å; F31-F49 HydrophobicContact CE1-CB 4.26Å; F31-T50 WeakPolarHBondContact CD1-O 3.33Å; F31-L90 HydrophobicContact CE1-CD1 3.56Å; F31-L90 HydrophobicContact CZ-CD1 3.77Å
32P95.3Very high93.7Very high4 Ų464.3 Ų64.33%0.02633%0.326CS..  trans-80.2176.7173.536.1-39.8000112.6N6 I7 Y9 L14 D34 A35 T50N6-P32 WeakPolarHBondContact O-CB 3.17Å; I7-P32 HydrophobicContact CG2-CG 4.42Å; Y9-P32 VanDerWaalsContact O-CA 3.26Å; Y9-P32 WeakPolarHBondContact O-CA 3.37Å; Y9-P32 WeakPolarHBondContact O-CB 3.36Å; L14-P32 WeakPolarHBondContact CD2-O 3.44Å; P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 2.99Å; P32-A35 HydrophobicContact CG-CB 4.19Å; P32-A35 WeakPolarHBondContact O-CB 3.25Å; P32-A35 PolarHBondContact O-N 3.14Å; P32-T50 WeakPolarHBondContact CD-O 3.33Å
33K91.5Very high93.2Very high151 Ų15169.5 Ų69.566%0.65735%0.353SS*.THydrogen-bonded Turntrans-59.4-37.6-179.9-171.7177.6178.5-178.10113.8D11 L14 A35D11-K33 HydrophobicContact CB-CB 4.24Å; L14-K33 WeakPolarHBondContact CD2-O 3.24Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 3.13Å
34D90.3Very high92.8Very high105 Ų10571.8 Ų71.856%0.56135%0.354SS*.THydrogen-bonded Turntrans-98.134.2179.8-50.3-47.3000111.6N6 P32 V36N6-D34 PolarHBondContact ND2-OD2 2.86Å; P32-D34 VanDerWaalsContact C-N 3.33Å; P32-D34 PolarHBondContact O-N 2.99Å; D34-V36 VanDerWaalsContact C-N 3.26Å; D34-V36 PolarHBondContact O-N 3.13Å
35A94.5Very high92.6Very high0 Ų076.7 Ų76.70%038%0.378CS..  trans-68.2-19.4-174.500000114.2L14 I18 F31 P32 K33 F49 T50L14-A35 HydrophobicContact CD2-CB 4.2Å; I18-A35 HydrophobicContact CD1-CB 3.59Å; F31-A35 HydrophobicContact CB-CB 3.82Å; F31-A35 HydrophobicContact CD1-CB 4.12Å; F31-A35 HydrophobicContact CG-CB 4.44Å; P32-A35 HydrophobicContact CG-CB 4.19Å; P32-A35 WeakPolarHBondContact O-CB 3.25Å; P32-A35 PolarHBondContact O-N 3.14Å; K33-A35 VanDerWaalsContact C-N 3.3Å; K33-A35 PolarHBondContact O-N 3.13Å; A35-F49 CarbonylContact O-C 3.57Å; A35-F49 VanDerWaalsContact O-CA 3.27Å; A35-F49 WeakPolarHBondContact O-CA 3.27Å; A35-T50 WeakPolarHBondContact CB-O 3.11Å; A35-T50 PolarHBondContact O-N 3.12Å
36V94.7Very high92.6Very high73 Ų7370 Ų7044%0.44235%0.347SS..EExtended strand (participates in β ladder)trans-112.9124.2-174.6-171.10000110.3I18 D34 T47 V48 F49I18-V36 HydrophobicContact CD1-CG2 3.75Å; I18-V36 HydrophobicContact CG1-CG2 4.3Å; D34-V36 VanDerWaalsContact C-N 3.26Å; D34-V36 PolarHBondContact O-N 3.13Å; V36-T47 HydrophobicContact CG1-CG2 4.39Å; V36-V48 WeakPolarHBondContact CA-O 3.42Å; V36-F49 HydrophobicContact CG1-CE1 4.23Å; V36-F49 HydrophobicContact CG2-CD1 3.76Å; V36-F49 HydrophobicContact CG2-CE1 3.8Å
37S94Very high92.5Very high34 Ų3469.8 Ų69.824%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-138.1162.1179.756.90000111.7E39 V48S37-E39 WeakPolarHBondContact CB-OE1 3.42Å; S37-E39 PolarHBondContact OG-OE1 3.33Å; S37-V48 PolarHBondContact N-O 3.11Å; S37-V48 PolarHBondContact O-N 3.32Å
38K93.5Very high92.6Very high121 Ų12165.4 Ų65.453%0.52632%0.316SS..EExtended strand (participates in β ladder)trans-108.3115.6166.8-73.2-68.3-172.6175.90108.2M45 A46 T47K38-M45 HydrophobicContact CB-CE 3.75Å; K38-A46 WeakPolarHBondContact CA-O 3.43Å; K38-T47 PolarHBondContact NZ-OG1 2.93Å
39E92.5Very high92.6Very high69 Ų6963.7 Ų63.732%0.32231%0.306SS..EExtended strand (participates in β ladder)trans-130.9152-173.7-64.9-179.8-14800110.9S37 V41 M45 A46 V48S37-E39 WeakPolarHBondContact CB-OE1 3.42Å; S37-E39 PolarHBondContact OG-OE1 3.33Å; E39-V41 HydrophobicContact CB-CG2 4.47Å; E39-V41 PolarHBondContact O-N 3.3Å; E39-M45 CarbonylContact O-C 3.57Å; E39-A46 PolarHBondContact N-O 2.99Å; E39-A46 PolarHBondContact O-N 3.38Å; E39-V48 HydrophobicContact CB-CG2 3.93Å; E39-V48 HydrophobicContact CG-CG2 4.27Å
40K90.7Very high92.5Very high142 Ų14264.5 Ų64.562%0.61731%0.311SS*.EExtended strand (participates in β ladder)trans-86.4108.9175-169.5174.3172.5-175.40108.8D43 R44 M45K40-D43 VanDerWaalsContact CE-CA 3.42Å; K40-D43 WeakPolarHBondContact CE-OD1 3.3Å; K40-D43 IonicContact NZ-OD1 3.86Å; K40-D43 PolarHBondContact NZ-OD1 3.11Å; K40-R44 CarbonylContact C-O 3.56Å; K40-R44 WeakPolarHBondContact CA-O 3.49Å; K40-M45 HydrophobicContact CB-SD 4.16Å
41V86.9Confident92.5Very high17 Ų1763.1 Ų63.110%0.10330%0.302CS..EExtended strand (participates in β ladder)trans-117.4121.8179.2-175.50000108.4E39 D43 R44 A46 V48 W77 Y89E39-V41 HydrophobicContact CB-CG2 4.47Å; E39-V41 PolarHBondContact O-N 3.3Å; V41-D43 VanDerWaalsContact C-N 3.3Å; V41-D43 PolarHBondContact O-N 3.17Å; V41-R44 PolarHBondContact N-O 2.9Å; V41-R44 PolarHBondContact O-N 3.17Å; V41-R44 VanDerWaalsContact O-N 3.11Å; V41-R44 VanDerWaalsContact O-O 3.14Å; V41-A46 HydrophobicContact CB-CB 4.2Å; V41-A46 HydrophobicContact CG2-CB 4.03Å; V41-V48 HydrophobicContact CG2-CG2 4.3Å; V41-W77 HydrophobicContact CG2-CE3 4.38Å; V41-W77 HydrophobicContact CG2-CH2 4.36Å; V41-W77 HydrophobicContact CG2-CZ3 3.69Å; V41-Y89 HydrophobicContact CB-CD2 4.41Å; V41-Y89 HydrophobicContact CB-CE2 3.93Å; V41-Y89 HydrophobicContact CG1-CD2 4.33Å; V41-Y89 HydrophobicContact CG1-CE1 4.45Å; V41-Y89 HydrophobicContact CG1-CE2 3.78Å; V41-Y89 HydrophobicContact CG2-CD2 4.3Å; V41-Y89 HydrophobicContact CG2-CE2 4.32Å
42H84.2Confident92.4Very high162 Ų16265 Ų6575%0.7531%0.309SS*.THydrogen-bonded Turntrans49.149.6-174.4-57.7-65.8000113R44H42-R44 PolarHBondContact O-N 2.84Å; H42-R44 VanDerWaalsContact O-N 3.12Å
43D84Confident92.5Very high133 Ų13364.8 Ų64.871%0.71131%0.308SS*.THydrogen-bonded Turntrans62.910.5-178.8-66.5-58.3000117.6K40 V41K40-D43 VanDerWaalsContact CE-CA 3.42Å; K40-D43 WeakPolarHBondContact CE-OD1 3.3Å; K40-D43 IonicContact NZ-OD1 3.86Å; K40-D43 PolarHBondContact NZ-OD1 3.11Å; V41-D43 VanDerWaalsContact C-N 3.3Å; V41-D43 PolarHBondContact O-N 3.17Å
44R85.8Confident92.7Very high155 Ų15558.6 Ų58.659%0.58528%0.284SS*.EExtended strand (participates in β ladder)trans-119.2138.5176.3-63-179.5-177.6-177.7-0.7110.3K40 V41 H42 A46K40-R44 CarbonylContact C-O 3.56Å; K40-R44 WeakPolarHBondContact CA-O 3.49Å; V41-R44 PolarHBondContact N-O 2.9Å; V41-R44 PolarHBondContact O-N 3.17Å; V41-R44 VanDerWaalsContact O-N 3.11Å; V41-R44 VanDerWaalsContact O-O 3.14Å; H42-R44 PolarHBondContact O-N 2.84Å; H42-R44 VanDerWaalsContact O-N 3.12Å; R44-A46 PolarHBondContact O-N 2.7Å
45M92.1Very high93Very high108 Ų10855.8 Ų55.853%0.53227%0.266SS..EExtended strand (participates in β ladder)trans-62.3131.8168.2-71.6-56.5-61.500109.1K38 E39 K40 V86K38-M45 HydrophobicContact CB-CE 3.75Å; E39-M45 CarbonylContact O-C 3.57Å; K40-M45 HydrophobicContact CB-SD 4.16Å; M45-V86 WeakPolarHBondContact O-CG1 3.42Å
46A94.6Very high92.9Very high0 Ų061 Ų610%030%0.3CS..EExtended strand (participates in β ladder)trans-133.1150.9-177.400000110.3K38 E39 V41 R44 S87 Y89K38-A46 WeakPolarHBondContact CA-O 3.43Å; E39-A46 PolarHBondContact N-O 2.99Å; E39-A46 PolarHBondContact O-N 3.38Å; V41-A46 HydrophobicContact CB-CB 4.2Å; V41-A46 HydrophobicContact CG2-CB 4.03Å; R44-A46 PolarHBondContact O-N 2.7Å; A46-S87 CarbonylContact C-O 3.53Å; A46-S87 WeakPolarHBondContact CA-O 3.37Å; A46-S87 WeakPolarHBondContact CB-O 3.36Å; A46-Y89 HydrophobicContact CB-CD2 3.77Å; A46-Y89 HydrophobicContact CB-CE2 3.78Å
47T94.9Very high92.5Very high12 Ų1260.2 Ų60.27%0.07430%0.297CS..EExtended strand (participates in β ladder)trans-84.8124.2166.4-48.60000108.2V36 K38 F49 S87 T88 Y89V36-T47 HydrophobicContact CG1-CG2 4.39Å; K38-T47 PolarHBondContact NZ-OG1 2.93Å; T47-F49 HydrophobicContact CG2-CD2 4.42Å; T47-F49 HydrophobicContact CG2-CE2 3.74Å; T47-F49 HydrophobicContact CG2-CZ 4.04Å; T47-S87 PolarHBondContact N-O 3.34Å; T47-T88 CarbonylContact O-C 3.55Å; T47-T88 WeakPolarHBondContact O-CA 3.48Å; T47-Y89 PolarHBondContact O-N 3.06Å
48V95.9Very high92.4Very high0 Ų060.5 Ų60.50%030%0.299CS..EExtended strand (participates in β ladder)trans-116.8127.7-179.2-176.90000109.4V36 S37 E39 V41 W77 Y89 H91V36-V48 WeakPolarHBondContact CA-O 3.42Å; S37-V48 PolarHBondContact N-O 3.11Å; S37-V48 PolarHBondContact O-N 3.32Å; E39-V48 HydrophobicContact CB-CG2 3.93Å; E39-V48 HydrophobicContact CG-CG2 4.27Å; V41-V48 HydrophobicContact CG2-CG2 4.3Å; V48-W77 HydrophobicContact CG1-CH2 4.41Å; V48-W77 HydrophobicContact CG1-CZ3 4.07Å; V48-W77 HydrophobicContact CG2-CZ3 4Å; V48-Y89 WeakPolarHBondContact CA-O 3.49Å; V48-H91 HydrophobicContact CG1-CB 3.66Å
49F96.4Very high92.5Very high22 Ų2262.5 Ų62.510%0.09630%0.303CS..EExtended strand (participates in β ladder)trans-103.9107.5170-63.4-90.8000107.9I18 L22 F31 A35 V36 T47 L80 T88 Y89 L90 H91I18-F49 HydrophobicContact CD1-CD1 4.19Å; I18-F49 HydrophobicContact CG1-CD1 4.19Å; I18-F49 HydrophobicContact CG1-CE1 4.36Å; I18-F49 HydrophobicContact CG2-CD1 3.76Å; I18-F49 HydrophobicContact CG2-CE1 4.32Å; L22-F49 HydrophobicContact CD1-CB 4.06Å; L22-F49 HydrophobicContact CD1-CD1 4.11Å; L22-F49 HydrophobicContact CD1-CD2 4.03Å; L22-F49 HydrophobicContact CD1-CG 3.8Å; L22-F49 HydrophobicContact CD2-CD2 4.22Å; L22-F49 HydrophobicContact CD2-CE2 3.97Å; L22-F49 HydrophobicContact CD2-CZ 4.21Å; F31-F49 HydrophobicContact CE1-CB 4.26Å; A35-F49 CarbonylContact O-C 3.57Å; A35-F49 VanDerWaalsContact O-CA 3.27Å; A35-F49 WeakPolarHBondContact O-CA 3.27Å; V36-F49 HydrophobicContact CG1-CE1 4.23Å; V36-F49 HydrophobicContact CG2-CD1 3.76Å; V36-F49 HydrophobicContact CG2-CE1 3.8Å; T47-F49 HydrophobicContact CG2-CD2 4.42Å; T47-F49 HydrophobicContact CG2-CE2 3.74Å; T47-F49 HydrophobicContact CG2-CZ 4.04Å; F49-L80 HydrophobicContact CD2-CD1 4.41Å; F49-T88 HydrophobicContact CD2-CG2 4Å; F49-T88 HydrophobicContact CE2-CG2 3.67Å; F49-Y89 PolarHBondContact N-O 3.08Å; F49-L90 HydrophobicContact CB-CD1 4.3Å; F49-L90 CarbonylContact O-C 3.55Å; F49-L90 WeakPolarHBondContact O-CA 3.1Å; F49-L90 WeakPolarHBondContact O-CD1 3.48Å; F49-H91 PolarHBondContact O-N 3.09Å
50T96.6Very high92.7Very high18 Ų1859.4 Ų59.411%0.1129%0.289CS..EExtended strand (participates in β ladder)trans-89.7119.9179-64.70000110I7 F31 P32 A35 H91 Y93I7-T50 HydrophobicContact CG2-CG2 3.78Å; F31-T50 WeakPolarHBondContact CD1-O 3.33Å; P32-T50 WeakPolarHBondContact CD-O 3.33Å; A35-T50 WeakPolarHBondContact CB-O 3.11Å; A35-T50 PolarHBondContact O-N 3.12Å; T50-H91 WeakPolarHBondContact CA-O 3.39Å; T50-Y93 HydrophobicContact CG2-CD2 4.23Å; T50-Y93 HydrophobicContact CG2-CE2 3.76Å
51G96.4Very high92.8Very high0 Ų057.3 Ų57.30%028%0.281CS..EExtended strand (participates in β ladder)trans-139.4170.2-177.600000113.1T30 H91 Y93T30-G51 WeakPolarHBondContact O-CA 3.42Å; G51-H91 PolarHBondContact N-O 3.25Å; G51-Y93 PolarHBondContact O-N 2.99Å
52R96.5Very high93.2Very high38 Ų3860.5 Ų60.514%0.14330%0.303CS..EExtended strand (participates in β ladder)trans-119.8132.8176.5178.5-176.1172-170.6-1.6109.4I29 T30 S54 Y73 Y93I29-R52 CarbonylContact C-O 3.58Å; I29-R52 WeakPolarHBondContact CA-O 3.17Å; T30-R52 PolarHBondContact N-O 3.09Å; T30-R52 PolarHBondContact O-N 3.01Å; R52-S54 VanDerWaalsContact NE-CB 3.34Å; R52-S54 PolarHBondContact NH2-OG 3.07Å; R52-Y73 HydrophobicContact CG-CE1 4.15Å; R52-Y73 PolarHBondContact NE-OH 2.99Å; R52-Y73 PolarHBondContact NH2-OH 3.45Å; R52-Y93 WeakPolarHBondContact CA-O 3.11Å
53L97Very high93.8Very high0 Ų054.8 Ų54.80%028%0.281CS..EExtended strand (participates in β ladder)trans-106.2114.5167.7171.264.2000108.6N28 I29 L92 Y93 K94 Q95 A108 T110N28-L53 HydrophobicContact CB-CD1 3.78Å; N28-L53 WeakPolarHBondContact O-CA 3.24Å; I29-L53 HydrophobicContact CG1-CB 4.34Å; I29-L53 HydrophobicContact CG1-CD1 3.78Å; L53-L92 HydrophobicContact CB-CD1 3.98Å; L53-L92 HydrophobicContact CB-CD2 3.97Å; L53-L92 HydrophobicContact CB-CG 3.99Å; L53-L92 HydrophobicContact CD2-CD2 4.24Å; L53-Y93 PolarHBondContact N-O 3.48Å; L53-K94 HydrophobicContact CB-CG 4.44Å; L53-K94 HydrophobicContact CD2-CG 4.19Å; L53-Q95 WeakPolarHBondContact O-CB 3.32Å; L53-Q95 PolarHBondContact O-N 3.28Å; L53-A108 HydrophobicContact CD2-CB 3.98Å; L53-A108 WeakPolarHBondContact CD2-O 3.4Å; L53-A108 HydrophobicContact CG-CB 3.8Å; L53-T110 HydrophobicContact CD2-CG2 3.82Å
54S95.9Very high94.3Very high22 Ų2250.3 Ų50.315%0.15427%0.267CS..  trans-155.2144.7-177.9-167.80000111.2N28 R52N28-S54 PolarHBondContact O-N 3.11Å; R52-S54 VanDerWaalsContact NE-CB 3.34Å; R52-S54 PolarHBondContact NH2-OG 3.07Å
55Y95.1Very high94.7Very high45 Ų4549.4 Ų49.418%0.17626%0.264CS..  trans-144.3168173.140.2-100.9000109.8N28 P58 H70 F97 A108 K109N28-Y55 HydrophobicContact CB-CD1 3.99Å; Y55-P58 HydrophobicContact CE2-CG 4.09Å; Y55-H70 PolarHBondContact O-NE2 2.88Å; Y55-F97 HydrophobicContact CD2-CE2 4.28Å; Y55-F97 AromaticContact CD2-CZ 3.84Å; Y55-F97 HydrophobicContact CD2-CZ 3.84Å; Y55-F97 AromaticContact CE2-CE2 3.69Å; Y55-F97 HydrophobicContact CE2-CE2 3.69Å; Y55-F97 AromaticContact CE2-CZ 3.73Å; Y55-F97 HydrophobicContact CE2-CZ 3.73Å; Y55-A108 HydrophobicContact CD1-CB 4.27Å; Y55-A108 HydrophobicContact CE1-CB 3.56Å; Y55-A108 VanDerWaalsContact OH-CA 3.27Å; Y55-A108 WeakPolarHBondContact OH-CA 3.43Å; Y55-K109 PolarHBondContact OH-N 3.48Å
56P92.3Very high94.8Very high110 Ų11049.1 Ų49.171%0.71427%0.265SS*.SBendtrans-52.4151.6174.5-27.336.4000112.1P58P56-P58 VanDerWaalsContact O-CD 3.25Å; P56-P58 WeakPolarHBondContact O-CD 3.35Å; P56-P58 VanDerWaalsContact O-N 3.08Å
57S87.6Confident94.8Very high56 Ų5651.3 Ų51.339%0.39228%0.28SS..PPolyproline II helixtrans-53.6116.2-179-74.30000111V68S57-V68 WeakPolarHBondContact CB-O 3.45Å; S57-V68 PolarHBondContact OG-O 3.23Å
58P92Very high94.9Very high41 Ų4151.1 Ų51.127%0.26628%0.279SS..PPolyproline II helixtrans-80172.4174.836-37000110.3Y55 P56 V68 F97 F106Y55-P58 HydrophobicContact CE2-CG 4.09Å; P56-P58 VanDerWaalsContact O-CD 3.25Å; P56-P58 WeakPolarHBondContact O-CD 3.35Å; P56-P58 VanDerWaalsContact O-N 3.08Å; P58-V68 VanDerWaalsContact O-CB 3.26Å; P58-V68 WeakPolarHBondContact O-CB 3.48Å; P58-V68 WeakPolarHBondContact O-CG2 3.42Å; P58-F97 HydrophobicContact CG-CD2 4.41Å; P58-F97 HydrophobicContact CG-CE2 4.36Å; P58-F97 HydrophobicContact CG-CZ 4.49Å; P58-F106 HydrophobicContact CG-CE2 3.61Å; P58-F106 HydrophobicContact CG-CZ 3.81Å
59R95.3Very high94.9Very high162 Ų16254.3 Ų54.361%0.61130%0.295SS*.PPolyproline II helixtrans-58.8150.9166.1-48.1-153.4132.3162.6-3.2110.5E61 D66R59-E61 PolarHBondContact O-N 3.33Å; R59-D66 WeakPolarHBondContact CD-OD1 3.46Å; R59-D66 WeakPolarHBondContact CG-OD1 3.46Å; R59-D66 IonicContact CZ-OD1 3.71Å; R59-D66 IonicContact CZ-OD2 3.7Å; R59-D66 IonicContact NE-OD1 2.79Å; R59-D66 PolarHBondContact NE-OD1 3.2Å; R59-D66 IonicContact NE-OD2 3.51Å; R59-D66 IonicContact NH2-OD1 3.75Å; R59-D66 IonicContact NH2-OD2 3Å; R59-D66 PolarHBondContact NH2-OD2 3.31Å
60C95.9Very high94.8Very high4 Ų457.2 Ų57.23%0.02731%0.309CS..PPolyproline II helixtrans-63.8126.6176.6-177.50000111.2C62 C63 G64 Y65 V68 C99C60-C62 PolarHBondContact O-N 3.29Å; C60-C62 VanDerWaalsContact O-N 3.17Å; C60-C62 PolarHBondContact SG-N 3.01Å; C60-C62 VanDerWaalsContact SG-N 3.36Å; C60-C63 VanDerWaalsContact CB-SG 3.54Å; C60-C63 VanDerWaalsContact SG-SG 3.66Å; C60-G64 VanDerWaalsContact O-CA 3.25Å; C60-G64 WeakPolarHBondContact O-CA 3.49Å; C60-G64 PolarHBondContact O-N 2.93Å; C60-Y65 PolarHBondContact N-O 3.42Å; C60-V68 HydrophobicContact CB-CG2 3.77Å; C60-C99 HydrophobicContact CB-CB 4.07Å; C60-C99 VanDerWaalsContact SG-CB 3.59Å
61E93.6Very high94.6Very high98 Ų9860.3 Ų60.346%0.45832%0.322SS..THydrogen-bonded Turntrans-63.7-19.2176.3-62-175.6-178.600113.2R59 F106 K109R59-E61 PolarHBondContact O-N 3.33Å; E61-F106 HydrophobicContact CG-CD2 3.83Å; E61-F106 HydrophobicContact CG-CE2 3.89Å; E61-F106 HydrophobicContact CG-CG 4.23Å; E61-F106 HydrophobicContact CG-CZ 4.35Å; E61-F106 WeakPolarHBondContact OE1-CD2 3.44Å; E61-K109 VanDerWaalsContact CD-NZ 3.3Å; E61-K109 WeakPolarHBondContact OE1-CE 3.34Å; E61-K109 IonicContact OE1-NZ 3.55Å; E61-K109 PolarHBondContact OE1-NZ 3.1Å; E61-K109 VanDerWaalsContact OE1-NZ 3.16Å; E61-K109 WeakPolarHBondContact OE2-CE 3.34Å; E61-K109 IonicContact OE2-NZ 3.47Å; E61-K109 PolarHBondContact OE2-NZ 3.38Å
62C95.3Very high94.5Very high84 Ų8462.4 Ų62.457%0.56834%0.343SS*.THydrogen-bonded Turntrans-95.3-49.4-179.5-173.60000113.3C60 H104C60-C62 PolarHBondContact O-N 3.29Å; C60-C62 VanDerWaalsContact O-N 3.17Å; C60-C62 PolarHBondContact SG-N 3.01Å; C60-C62 VanDerWaalsContact SG-N 3.36Å; C62-H104 HydrophobicContact CB-CB 3.76Å
63C96.1Very high94.4Very high42 Ų4262.8 Ų62.828%0.28435%0.345SS..THydrogen-bonded Turntrans-112.4-4.4-174.569.10000114.8C60 Y65 C102C60-C63 VanDerWaalsContact CB-SG 3.54Å; C60-C63 VanDerWaalsContact SG-SG 3.66Å; C63-Y65 HydrophobicContact CB-CD2 3.99Å; C63-Y65 VanDerWaalsContact O-CD2 3.3Å; C63-Y65 WeakPolarHBondContact O-CD2 3.4Å; C63-Y65 PolarHBondContact O-N 3.2Å; C63-Y65 VanDerWaalsContact O-N 3.15Å; C63-C102 HydrophobicContact CB-CB 4.02Å; C63-C102 PolarHBondContact SG-SG 2.79Å
64G94.4Very high94.2Very high40 Ų4065.9 Ų65.941%0.41236%0.359SS..  trans74.6-7.5178.200000116.3C60C60-G64 VanDerWaalsContact O-CA 3.25Å; C60-G64 WeakPolarHBondContact O-CA 3.49Å; C60-G64 PolarHBondContact O-N 2.93Å
65Y94.8Very high94.1Very high136 Ų13668.2 Ų68.253%0.53337%0.37SS..  trans-76.2153.2-179.5-72.1-83.9000113.5C60 C63 S67 Q101C60-Y65 PolarHBondContact N-O 3.42Å; C63-Y65 HydrophobicContact CB-CD2 3.99Å; C63-Y65 VanDerWaalsContact O-CD2 3.3Å; C63-Y65 WeakPolarHBondContact O-CD2 3.4Å; C63-Y65 PolarHBondContact O-N 3.2Å; C63-Y65 VanDerWaalsContact O-N 3.15Å; Y65-S67 PolarHBondContact O-N 3.05Å; Y65-Q101 HydrophobicContact CD2-CG 4.09Å; Y65-Q101 HydrophobicContact CE2-CG 4.49Å; Y65-Q101 HydrophobicContact CG-CG 4.45Å
66D94Very high94.1Very high101 Ų10166.2 Ų66.254%0.5436%0.362SS..SBendtrans-80.98.4179.6-63.2-34.1000113.3R59 V68R59-D66 WeakPolarHBondContact CD-OD1 3.46Å; R59-D66 WeakPolarHBondContact CG-OD1 3.46Å; R59-D66 IonicContact CZ-OD1 3.71Å; R59-D66 IonicContact CZ-OD2 3.7Å; R59-D66 IonicContact NE-OD1 2.79Å; R59-D66 PolarHBondContact NE-OD1 3.2Å; R59-D66 IonicContact NE-OD2 3.51Å; R59-D66 IonicContact NH2-OD1 3.75Å; R59-D66 IonicContact NH2-OD2 3Å; R59-D66 PolarHBondContact NH2-OD2 3.31Å; D66-V68 PolarHBondContact O-N 2.94Å
67S94.6Very high94.2Very high46 Ų4664.9 Ų64.932%0.32234%0.343SS..  trans-78.134.6-178.3-44.10000113.7Y65 K100Y65-S67 PolarHBondContact O-N 3.05Å; S67-K100 PolarHBondContact O-N 3.14Å
68V96.5Very high94.7Very high8 Ų862.2 Ų62.25%0.04832%0.324CS..EExtended strand (participates in β ladder)trans-99.8129.2-174.1177.40000111.2S57 P58 C60 D66 F97 Y98 C99 F106S57-V68 WeakPolarHBondContact CB-O 3.45Å; S57-V68 PolarHBondContact OG-O 3.23Å; P58-V68 VanDerWaalsContact O-CB 3.26Å; P58-V68 WeakPolarHBondContact O-CB 3.48Å; P58-V68 WeakPolarHBondContact O-CG2 3.42Å; C60-V68 HydrophobicContact CB-CG2 3.77Å; D66-V68 PolarHBondContact O-N 2.94Å; V68-F97 HydrophobicContact CG1-CB 3.62Å; V68-F97 HydrophobicContact CG1-CD1 4.03Å; V68-F97 HydrophobicContact CG1-CG 4.14Å; V68-Y98 WeakPolarHBondContact CA-O 3.44Å; V68-C99 HydrophobicContact CG2-CB 4.29Å; V68-F106 HydrophobicContact CG1-CE1 4.14Å; V68-F106 HydrophobicContact CG1-CZ 3.94Å; V68-F106 HydrophobicContact CG2-CE1 4.24Å; V68-F106 HydrophobicContact CG2-CZ 4.28Å
69I95.8Very high94.9Very high67 Ų6761.4 Ų61.434%0.34432%0.317SS..EExtended strand (participates in β ladder)trans-117.4157.2175.759.8161.6000111.9F97 Y98 K100I69-F97 CarbonylContact O-C 3.51Å; I69-F97 WeakPolarHBondContact O-CA 3.31Å; I69-Y98 HydrophobicContact CD1-CD1 4.22Å; I69-Y98 HydrophobicContact CG1-CD1 4.09Å; I69-Y98 WeakPolarHBondContact CG1-O 3.2Å; I69-Y98 PolarHBondContact N-O 2.86Å; I69-Y98 PolarHBondContact O-N 2.87Å; I69-K100 HydrophobicContact CG2-CD 4.41Å
70H94.3Very high95Very high83 Ų8354 Ų5438%0.38429%0.289SS..EExtended strand (participates in β ladder)trans-65.4132.6170-73.7-164.2000110.3Y55 F97Y55-H70 PolarHBondContact O-NE2 2.88Å; H70-F97 AromaticContact CD2-CD1 3.88Å; H70-F97 AromaticContact CD2-CE1 3.54Å; H70-F97 AromaticContact NE2-CE1 3.7Å
71H94.2Very high95Very high84 Ų8457.3 Ų57.339%0.38931%0.306SS..EExtended strand (participates in β ladder)trans-135.659-172-170.552.4000112.6R96H71-R96 PolarHBondContact N-O 2.93Å; H71-R96 WeakPolarHBondContact O-CB 3.42Å
72G93.2Very high95Very high43 Ų4354.3 Ų54.344%0.44330%0.295SS..EExtended strand (participates in β ladder)trans71.4-159.5-179.700000113.5Q95 R96G72-Q95 PolarHBondContact O-NE2 3.1Å; G72-R96 PolarHBondContact O-N 3.3Å
73Y93.9Very high94.7Very high46 Ų4656.9 Ų56.918%0.1829%0.294CS..EExtended strand (participates in β ladder)trans-126.1147.2-177.5-62.4-77.6000111.6I4 R52 K94 Q95I4-Y73 HydrophobicContact CG2-CD2 4.09Å; I4-Y73 HydrophobicContact CG2-CE2 4.11Å; R52-Y73 HydrophobicContact CG-CE1 4.15Å; R52-Y73 PolarHBondContact NE-OH 2.99Å; R52-Y73 PolarHBondContact NH2-OH 3.45Å; Y73-K94 CarbonylContact C-O 3.45Å; Y73-K94 VanDerWaalsContact CA-O 3.32Å; Y73-K94 WeakPolarHBondContact CA-O 3.38Å; Y73-Q95 HydrophobicContact CE1-CB 4.24Å; Y73-Q95 PolarHBondContact OH-OE1 3.2Å
74K94.1Very high94.4Very high65 Ų6561.9 Ų61.928%0.28331%0.313SS..EExtended strand (participates in β ladder)trans-95.7121.9162.2-179.3174.1-179.9175.30107.6K94 R96K74-K94 HydrophobicContact CB-CB 4.45Å; K74-K94 PolarHBondContact N-O 2.93Å; K74-K94 PolarHBondContact O-N 2.95Å; K74-R96 HydrophobicContact CB-CG 3.94Å
75D92.7Very high94Very high72 Ų7268.8 Ų68.839%0.38534%0.335SS..EExtended strand (participates in β ladder)trans-72.2134.6171.9-169.5-16.6000109.7W77 H91D75-W77 PolarHBondContact OD1-NE1 3.24Å; D75-H91 IonicContact OD1-CD2 3.23Å; D75-H91 PolarHBondContact OD1-CD2 3.39Å; D75-H91 IonicContact OD1-NE2 3.21Å; D75-H91 PolarHBondContact OD1-NE2 3.09Å; D75-H91 IonicContact OD2-CE1 2.83Å; D75-H91 IonicContact OD2-NE2 3.16Å; D75-H91 PolarHBondContact OD2-NE2 2.86Å
76S94.9Very high93.7Very high2 Ų264.7 Ų64.71%0.01432%0.324CS..EExtended strand (participates in β ladder)trans-144111.9178.9-670000111.4I78 L92S76-I78 PolarHBondContact O-N 2.96Å; S76-L92 PolarHBondContact N-O 3.42Å; S76-L92 VanDerWaalsContact N-O 3.13Å; S76-L92 PolarHBondContact O-N 3.16Å
77W95.5Very high93.7Very high82 Ų8260.3 Ų60.331%0.31130%0.301SS..EExtended strand (participates in β ladder)trans-87.8103.1173-71.275.9000110V41 V48 D75 Y89 H91 Y118V41-W77 HydrophobicContact CG2-CE3 4.38Å; V41-W77 HydrophobicContact CG2-CH2 4.36Å; V41-W77 HydrophobicContact CG2-CZ3 3.69Å; V48-W77 HydrophobicContact CG1-CH2 4.41Å; V48-W77 HydrophobicContact CG1-CZ3 4.07Å; V48-W77 HydrophobicContact CG2-CZ3 4Å; D75-W77 PolarHBondContact OD1-NE1 3.24Å; W77-Y89 HydrophobicContact CE3-CG 4.39Å; W77-H91 AromaticContact CD1-CD2 3.9Å; W77-H91 AromaticContact CE2-CD2 3.54Å; W77-H91 AromaticContact CE2-CE1 3.83Å; W77-H91 AromaticContact CE2-CG 3.9Å; W77-H91 AromaticContact CE2-NE2 3.52Å; W77-H91 AromaticContact CZ2-CD2 3.92Å; W77-H91 AromaticContact CZ2-CE1 3.51Å; W77-H91 AromaticContact CZ2-CG 3.88Å; W77-H91 AromaticContact CZ2-ND1 3.67Å; W77-H91 AromaticContact CZ2-NE2 3.71Å; W77-H91 HydrophobicContact CZ3-CB 4.49Å; W77-H91 AromaticContact NE1-CD2 3.46Å; W77-H91 PolarHBondContact NE1-CD2 3.44Å; W77-H91 AromaticContact NE1-CE1 3.93Å; W77-H91 AromaticContact NE1-NE2 3.24Å; W77-H91 PolarHBondContact NE1-NE2 3.28Å; W77-Y118 WeakPolarHBondContact O-CB 3.45Å
78I96.9Very high93.7Very high0 Ų058.3 Ų58.30%029%0.287CS..EExtended strand (participates in β ladder)trans-103114.7-175.1-55.9154.8000108.6S76 L80 Y89 L90 L92 V113 Y118S76-I78 PolarHBondContact O-N 2.96Å; I78-L80 HydrophobicContact CG2-CD2 4.41Å; I78-L80 PolarHBondContact O-N 2.96Å; I78-Y89 CarbonylContact O-C 3.57Å; I78-Y89 WeakPolarHBondContact O-CA 3.41Å; I78-L90 HydrophobicContact CB-CB 4.23Å; I78-L90 HydrophobicContact CD1-CD2 3.98Å; I78-L90 HydrophobicContact CD1-CG 4.31Å; I78-L90 PolarHBondContact N-O 3.16Å; I78-L90 PolarHBondContact O-N 3.41Å; I78-L92 HydrophobicContact CD1-CB 3.67Å; I78-L92 HydrophobicContact CD1-CD2 3.66Å; I78-L92 HydrophobicContact CD1-CG 4.34Å; I78-V113 HydrophobicContact CD1-CB 4.19Å; I78-V113 HydrophobicContact CD1-CG1 3.56Å; I78-V113 HydrophobicContact CG1-CB 4.41Å; I78-V113 HydrophobicContact CG1-CG1 4.16Å; I78-V113 HydrophobicContact CG1-CG2 4.25Å; I78-V113 HydrophobicContact CG2-CB 4.14Å; I78-V113 HydrophobicContact CG2-CG2 4.08Å; I78-Y118 CarbonylContact C-O 3.58Å; I78-Y118 WeakPolarHBondContact CA-O 3.37Å
79Q96.9Very high93.8Very high24 Ų2459 Ų5911%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-69.5132.5175.3-170174.2-2300110.6Y89 Y118 L119 S120 L123 Y144 L145Q79-Y89 HydrophobicContact CB-CD1 4.06Å; Q79-Y89 HydrophobicContact CB-CE1 3.86Å; Q79-Y89 HydrophobicContact CG-CD1 4.46Å; Q79-Y89 HydrophobicContact CG-CE1 4.03Å; Q79-Y118 PolarHBondContact N-O 3.04Å; Q79-L119 HydrophobicContact CB-CD2 3.83Å; Q79-S120 PolarHBondContact O-N 2.83Å; Q79-S120 PolarHBondContact O-OG 2.89Å; Q79-L123 HydrophobicContact CB-CD2 4.16Å; Q79-L123 HydrophobicContact CG-CD2 3.93Å; Q79-Y144 PolarHBondContact NE2-O 3.03Å; Q79-L145 PolarHBondContact NE2-O 2.81Å
80L97.2Very high93.8Very high7 Ų755.8 Ų55.84%0.03727%0.273CS..  trans-103.8-179.1176.5-53.1-174.2000110.4L22 F49 I78 T88 L90 Y112L22-L80 HydrophobicContact CD1-CD1 3.99Å; L22-L80 HydrophobicContact CD2-CD1 3.78Å; L22-L80 HydrophobicContact CG-CD1 4.47Å; F49-L80 HydrophobicContact CD2-CD1 4.41Å; I78-L80 HydrophobicContact CG2-CD2 4.41Å; I78-L80 PolarHBondContact O-N 2.96Å; L80-T88 HydrophobicContact CB-CG2 4.11Å; L80-T88 HydrophobicContact CD1-CG2 3.97Å; L80-T88 HydrophobicContact CG-CG2 4.45Å; L80-T88 PolarHBondContact N-O 3.19Å; L80-L90 HydrophobicContact CD1-CB 4.08Å; L80-L90 HydrophobicContact CD2-CB 3.95Å; L80-L90 HydrophobicContact CG-CB 4.18Å; L80-Y112 HydrophobicContact CD2-CE1 3.79Å
81L95.7Very high93.9Very high73 Ų7352.5 Ų52.538%0.38226%0.257SS..  trans-60.4137.9168.4-70.7166.5000110Y83 T88 L123 A126 Y144L81-Y83 PolarHBondContact O-N 3.21Å; L81-T88 WeakPolarHBondContact O-CB 3.31Å; L81-T88 PolarHBondContact O-OG1 3.15Å; L81-L123 HydrophobicContact CD2-CD1 3.79Å; L81-L123 HydrophobicContact CG-CD1 4.5Å; L81-A126 HydrophobicContact CD2-CB 3.55Å; L81-Y144 HydrophobicContact CD2-CD1 4.01Å; L81-Y144 HydrophobicContact CD2-CE1 3.76Å
82P93.5Very high94Very high35 Ų3548.5 Ų48.523%0.22724%0.239CC..  trans-56.6134.5173-23.132.7000110.5V86 L145P82-V86 VanDerWaalsContact CA-O 3.29Å; P82-V86 WeakPolarHBondContact CA-O 3.18Å; P82-L145 HydrophobicContact CB-CD1 4.33Å; P82-L145 HydrophobicContact CG-CD1 4.1Å; P82-L145 HydrophobicContact CG-CG 4.24Å
83Y90.1Very high94.2Very high139 Ų13947.5 Ų47.555%0.54522%0.222SC..BIsolated β-bridgetrans-112126.2175178.7-100.1000108.5L81 E85 V86 T88L81-Y83 PolarHBondContact O-N 3.21Å; Y83-E85 PolarHBondContact O-N 3.01Å; Y83-V86 PolarHBondContact N-O 3.33Å; Y83-V86 VanDerWaalsContact N-O 3.1Å; Y83-V86 WeakPolarHBondContact O-CB 3.36Å; Y83-V86 PolarHBondContact O-N 3.37Å; Y83-T88 PolarHBondContact N-OG1 2.98Å
84Q89Confident94.3Very high146 Ų14646.1 Ų46.168%0.68222%0.217SC*.THydrogen-bonded Turntrans50.840.1-173-63.6178.5-32.200112.5V86Q84-V86 PolarHBondContact O-N 2.96Å
85E87Confident94.4Very high185 Ų18543.2 Ų43.286%0.86420%0.204SC*.THydrogen-bonded Turntrans62.97.4-176.9-50.2-168.416000115.6Y83Y83-E85 PolarHBondContact O-N 3.01Å
86V88.7Confident94.6Very high50 Ų5044 Ų4430%0.30320%0.202SC..BIsolated β-bridgetrans-96.4146.4176.1-176.10000110.3M45 P82 Y83 Q84 T88M45-V86 WeakPolarHBondContact O-CG1 3.42Å; P82-V86 VanDerWaalsContact CA-O 3.29Å; P82-V86 WeakPolarHBondContact CA-O 3.18Å; Y83-V86 PolarHBondContact N-O 3.33Å; Y83-V86 VanDerWaalsContact N-O 3.1Å; Y83-V86 WeakPolarHBondContact O-CB 3.36Å; Y83-V86 PolarHBondContact O-N 3.37Å; Q84-V86 PolarHBondContact O-N 2.96Å; V86-T88 PolarHBondContact O-N 2.9Å; V86-T88 PolarHBondContact O-OG1 3.22Å
87S92.7Very high94.7Very high10 Ų1044 Ų447%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-57.9134.3172.7-54.10000111A46 T47 L145A46-S87 CarbonylContact C-O 3.53Å; A46-S87 WeakPolarHBondContact CA-O 3.37Å; A46-S87 WeakPolarHBondContact CB-O 3.36Å; T47-S87 PolarHBondContact N-O 3.34Å; S87-L145 WeakPolarHBondContact OG-CD1 3.2Å
88T95.8Very high94.8Very high4 Ų443 Ų433%0.02520%0.198CC..EExtended strand (participates in β ladder)trans-127133179.6-500000109.4T47 F49 L80 L81 Y83 V86T47-T88 CarbonylContact O-C 3.55Å; T47-T88 WeakPolarHBondContact O-CA 3.48Å; F49-T88 HydrophobicContact CD2-CG2 4Å; F49-T88 HydrophobicContact CE2-CG2 3.67Å; L80-T88 HydrophobicContact CB-CG2 4.11Å; L80-T88 HydrophobicContact CD1-CG2 3.97Å; L80-T88 HydrophobicContact CG-CG2 4.45Å; L80-T88 PolarHBondContact N-O 3.19Å; L81-T88 WeakPolarHBondContact O-CB 3.31Å; L81-T88 PolarHBondContact O-OG1 3.15Å; Y83-T88 PolarHBondContact N-OG1 2.98Å; V86-T88 PolarHBondContact O-N 2.9Å; V86-T88 PolarHBondContact O-OG1 3.22Å
89Y96.9Very high94.8Very high22 Ų2243 Ų439%0.08620%0.198CC..EExtended strand (participates in β ladder)trans-129.3145.5180-62.6-89.7000111.9V41 A46 T47 V48 F49 W77 I78 Q79V41-Y89 HydrophobicContact CB-CD2 4.41Å; V41-Y89 HydrophobicContact CB-CE2 3.93Å; V41-Y89 HydrophobicContact CG1-CD2 4.33Å; V41-Y89 HydrophobicContact CG1-CE1 4.45Å; V41-Y89 HydrophobicContact CG1-CE2 3.78Å; V41-Y89 HydrophobicContact CG2-CD2 4.3Å; V41-Y89 HydrophobicContact CG2-CE2 4.32Å; A46-Y89 HydrophobicContact CB-CD2 3.77Å; A46-Y89 HydrophobicContact CB-CE2 3.78Å; T47-Y89 PolarHBondContact O-N 3.06Å; V48-Y89 WeakPolarHBondContact CA-O 3.49Å; F49-Y89 PolarHBondContact N-O 3.08Å; W77-Y89 HydrophobicContact CE3-CG 4.39Å; I78-Y89 CarbonylContact O-C 3.57Å; I78-Y89 WeakPolarHBondContact O-CA 3.41Å; Q79-Y89 HydrophobicContact CB-CD1 4.06Å; Q79-Y89 HydrophobicContact CB-CE1 3.86Å; Q79-Y89 HydrophobicContact CG-CD1 4.46Å; Q79-Y89 HydrophobicContact CG-CE1 4.03Å
90L96.9Very high94.8Very high0 Ų048.1 Ų48.10%022%0.22CC..EExtended strand (participates in β ladder)trans-99105.3161.217467.5000107.4I24 F31 F49 I78 L80 L92 Y112I24-L90 HydrophobicContact CD1-CD2 4.5Å; F31-L90 HydrophobicContact CE1-CD1 3.56Å; F31-L90 HydrophobicContact CZ-CD1 3.77Å; F49-L90 HydrophobicContact CB-CD1 4.3Å; F49-L90 CarbonylContact O-C 3.55Å; F49-L90 WeakPolarHBondContact O-CA 3.1Å; F49-L90 WeakPolarHBondContact O-CD1 3.48Å; I78-L90 HydrophobicContact CB-CB 4.23Å; I78-L90 HydrophobicContact CD1-CD2 3.98Å; I78-L90 HydrophobicContact CD1-CG 4.31Å; I78-L90 PolarHBondContact N-O 3.16Å; I78-L90 PolarHBondContact O-N 3.41Å; L80-L90 HydrophobicContact CD1-CB 4.08Å; L80-L90 HydrophobicContact CD2-CB 3.95Å; L80-L90 HydrophobicContact CG-CB 4.18Å; L90-L92 HydrophobicContact CD1-CD1 4.45Å; L90-L92 HydrophobicContact CD2-CB 4.45Å; L90-L92 HydrophobicContact CD2-CD1 4.44Å; L90-L92 HydrophobicContact CD2-CD2 4.28Å; L90-L92 HydrophobicContact CG-CB 4.14Å; L90-L92 HydrophobicContact CG-CD1 4.48Å; L90-L92 PolarHBondContact O-N 3.46Å; L90-Y112 HydrophobicContact CD2-CD1 4.04Å; L90-Y112 HydrophobicContact CD2-CE1 4.06Å
91H96.5Very high94.7Very high13 Ų1353.2 Ų53.26%0.0624%0.243CC..EExtended strand (participates in β ladder)trans-82.194.3172.4-175.2-164000108.4V48 F49 T50 G51 D75 W77 Y93V48-H91 HydrophobicContact CG1-CB 3.66Å; F49-H91 PolarHBondContact O-N 3.09Å; T50-H91 WeakPolarHBondContact CA-O 3.39Å; G51-H91 PolarHBondContact N-O 3.25Å; D75-H91 IonicContact OD1-CD2 3.23Å; D75-H91 PolarHBondContact OD1-CD2 3.39Å; D75-H91 IonicContact OD1-NE2 3.21Å; D75-H91 PolarHBondContact OD1-NE2 3.09Å; D75-H91 IonicContact OD2-CE1 2.83Å; D75-H91 IonicContact OD2-NE2 3.16Å; D75-H91 PolarHBondContact OD2-NE2 2.86Å; W77-H91 AromaticContact CD1-CD2 3.9Å; W77-H91 AromaticContact CE2-CD2 3.54Å; W77-H91 AromaticContact CE2-CE1 3.83Å; W77-H91 AromaticContact CE2-CG 3.9Å; W77-H91 AromaticContact CE2-NE2 3.52Å; W77-H91 AromaticContact CZ2-CD2 3.92Å; W77-H91 AromaticContact CZ2-CE1 3.51Å; W77-H91 AromaticContact CZ2-CG 3.88Å; W77-H91 AromaticContact CZ2-ND1 3.67Å; W77-H91 AromaticContact CZ2-NE2 3.71Å; W77-H91 HydrophobicContact CZ3-CB 4.49Å; W77-H91 AromaticContact NE1-CD2 3.46Å; W77-H91 PolarHBondContact NE1-CD2 3.44Å; W77-H91 AromaticContact NE1-CE1 3.93Å; W77-H91 AromaticContact NE1-NE2 3.24Å; W77-H91 PolarHBondContact NE1-NE2 3.28Å; H91-Y93 AromaticContact CE1-CE2 3.75Å; H91-Y93 AromaticContact CE1-CZ 3.58Å; H91-Y93 PolarHBondContact CE1-OH 3.03Å; H91-Y93 AromaticContact ND1-CE2 3.87Å; H91-Y93 AromaticContact NE2-CE2 3.92Å; H91-Y93 AromaticContact NE2-CZ 3.76Å
92L96.6Very high94.7Very high0 Ų052 Ų520%024%0.24CC..EExtended strand (participates in β ladder)trans-104.9114.6-169.1-16663.2000111.6I29 L53 S76 I78 L90 K94I29-L92 HydrophobicContact CG2-CD1 4.1Å; L53-L92 HydrophobicContact CB-CD1 3.98Å; L53-L92 HydrophobicContact CB-CD2 3.97Å; L53-L92 HydrophobicContact CB-CG 3.99Å; L53-L92 HydrophobicContact CD2-CD2 4.24Å; S76-L92 PolarHBondContact N-O 3.42Å; S76-L92 VanDerWaalsContact N-O 3.13Å; S76-L92 PolarHBondContact O-N 3.16Å; I78-L92 HydrophobicContact CD1-CB 3.67Å; I78-L92 HydrophobicContact CD1-CD2 3.66Å; I78-L92 HydrophobicContact CD1-CG 4.34Å; L90-L92 HydrophobicContact CD1-CD1 4.45Å; L90-L92 HydrophobicContact CD2-CB 4.45Å; L90-L92 HydrophobicContact CD2-CD1 4.44Å; L90-L92 HydrophobicContact CD2-CD2 4.28Å; L90-L92 HydrophobicContact CG-CB 4.14Å; L90-L92 HydrophobicContact CG-CD1 4.48Å; L90-L92 PolarHBondContact O-N 3.46Å; L92-K94 HydrophobicContact CD2-CG 4.16Å; L92-K94 HydrophobicContact CG-CG 4.13Å; L92-K94 PolarHBondContact O-N 2.91Å
93Y96.6Very high94.8Very high22 Ų2256.2 Ų56.29%0.08626%0.257CS..EExtended strand (participates in β ladder)trans-82.7100.5170.6-67.3-93.3000109.7I4 I7 T50 G51 R52 L53 H91I4-Y93 HydrophobicContact CG1-CE1 4.29Å; I7-Y93 HydrophobicContact CD1-CD1 3.86Å; I7-Y93 HydrophobicContact CD1-CD2 3.68Å; I7-Y93 HydrophobicContact CD1-CE1 4.47Å; I7-Y93 HydrophobicContact CD1-CE2 4.33Å; I7-Y93 HydrophobicContact CD1-CG 3.4Å; I7-Y93 HydrophobicContact CG2-CD2 4.1Å; I7-Y93 HydrophobicContact CG2-CE2 4.17Å; T50-Y93 HydrophobicContact CG2-CD2 4.23Å; T50-Y93 HydrophobicContact CG2-CE2 3.76Å; G51-Y93 PolarHBondContact O-N 2.99Å; R52-Y93 WeakPolarHBondContact CA-O 3.11Å; L53-Y93 PolarHBondContact N-O 3.48Å; H91-Y93 AromaticContact CE1-CE2 3.75Å; H91-Y93 AromaticContact CE1-CZ 3.58Å; H91-Y93 PolarHBondContact CE1-OH 3.03Å; H91-Y93 AromaticContact ND1-CE2 3.87Å; H91-Y93 AromaticContact NE2-CE2 3.92Å; H91-Y93 AromaticContact NE2-CZ 3.76Å
94K96Very high95.1Very high18 Ų1853.2 Ų53.28%0.07825%0.247CC..EExtended strand (participates in β ladder)trans-85.6123.4-178.9-57.3-178.8179.6175.30110L53 Y73 K74 L92 R96L53-K94 HydrophobicContact CB-CG 4.44Å; L53-K94 HydrophobicContact CD2-CG 4.19Å; Y73-K94 CarbonylContact C-O 3.45Å; Y73-K94 VanDerWaalsContact CA-O 3.32Å; Y73-K94 WeakPolarHBondContact CA-O 3.38Å; K74-K94 HydrophobicContact CB-CB 4.45Å; K74-K94 PolarHBondContact N-O 2.93Å; K74-K94 PolarHBondContact O-N 2.95Å; L92-K94 HydrophobicContact CD2-CG 4.16Å; L92-K94 HydrophobicContact CG-CG 4.13Å; L92-K94 PolarHBondContact O-N 2.91Å; K94-R96 PolarHBondContact O-N 3.32Å
95Q96.2Very high95.5Very high3 Ų348.6 Ų48.61%0.01423%0.23CC..EExtended strand (participates in β ladder)trans-57.6123.4176.6-176.960.363.300109.6L53 G72 Y73 F97 S107 A108L53-Q95 WeakPolarHBondContact O-CB 3.32Å; L53-Q95 PolarHBondContact O-N 3.28Å; G72-Q95 PolarHBondContact O-NE2 3.1Å; Y73-Q95 HydrophobicContact CE1-CB 4.24Å; Y73-Q95 PolarHBondContact OH-OE1 3.2Å; Q95-F97 HydrophobicContact CB-CZ 4.21Å; Q95-F97 HydrophobicContact CG-CD1 4.37Å; Q95-F97 HydrophobicContact CG-CE1 3.75Å; Q95-F97 HydrophobicContact CG-CE2 4.4Å; Q95-F97 HydrophobicContact CG-CZ 3.77Å; Q95-S107 CarbonylContact O-C 3.49Å; Q95-S107 WeakPolarHBondContact O-CA 3.48Å; Q95-A108 HydrophobicContact CB-CB 4.17Å; Q95-A108 WeakPolarHBondContact O-CB 3.48Å; Q95-A108 PolarHBondContact O-N 3.48Å
96R96.5Very high95.9Very high90 Ų9040.4 Ų40.434%0.3419%0.191SC..EExtended strand (participates in β ladder)trans-88.4150.7170.4-74.3175.571.8-166.60.6109.6H71 G72 K74 K94 F106H71-R96 PolarHBondContact N-O 2.93Å; H71-R96 WeakPolarHBondContact O-CB 3.42Å; G72-R96 PolarHBondContact O-N 3.3Å; K74-R96 HydrophobicContact CB-CG 3.94Å; K94-R96 PolarHBondContact O-N 3.32Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.42Å
97F97.1Very high96.2Very high0 Ų039.3 Ų39.30%019%0.185CC..EExtended strand (participates in β ladder)trans-127.1138.3-178.4-62.8-69000109.6Y55 P58 V68 I69 H70 Q95 T105 F106 A108Y55-F97 HydrophobicContact CD2-CE2 4.28Å; Y55-F97 AromaticContact CD2-CZ 3.84Å; Y55-F97 HydrophobicContact CD2-CZ 3.84Å; Y55-F97 AromaticContact CE2-CE2 3.69Å; Y55-F97 HydrophobicContact CE2-CE2 3.69Å; Y55-F97 AromaticContact CE2-CZ 3.73Å; Y55-F97 HydrophobicContact CE2-CZ 3.73Å; P58-F97 HydrophobicContact CG-CD2 4.41Å; P58-F97 HydrophobicContact CG-CE2 4.36Å; P58-F97 HydrophobicContact CG-CZ 4.49Å; V68-F97 HydrophobicContact CG1-CB 3.62Å; V68-F97 HydrophobicContact CG1-CD1 4.03Å; V68-F97 HydrophobicContact CG1-CG 4.14Å; I69-F97 CarbonylContact O-C 3.51Å; I69-F97 WeakPolarHBondContact O-CA 3.31Å; H70-F97 AromaticContact CD2-CD1 3.88Å; H70-F97 AromaticContact CD2-CE1 3.54Å; H70-F97 AromaticContact NE2-CE1 3.7Å; Q95-F97 HydrophobicContact CB-CZ 4.21Å; Q95-F97 HydrophobicContact CG-CD1 4.37Å; Q95-F97 HydrophobicContact CG-CE1 3.75Å; Q95-F97 HydrophobicContact CG-CE2 4.4Å; Q95-F97 HydrophobicContact CG-CZ 3.77Å; F97-T105 VanDerWaalsContact O-CA 3.25Å; F97-T105 WeakPolarHBondContact O-CA 3.32Å; F97-T105 WeakPolarHBondContact O-CG2 3.15Å; F97-F106 HydrophobicContact CB-CD1 4.06Å; F97-F106 HydrophobicContact CB-CD2 4.15Å; F97-F106 HydrophobicContact CB-CE1 3.75Å; F97-F106 HydrophobicContact CB-CE2 3.86Å; F97-F106 HydrophobicContact CB-CG 4.25Å; F97-F106 HydrophobicContact CB-CZ 3.65Å; F97-F106 AromaticContact CD2-CD2 3.92Å; F97-F106 HydrophobicContact CD2-CD2 3.92Å; F97-F106 AromaticContact CD2-CE2 3.67Å; F97-F106 HydrophobicContact CD2-CE2 3.67Å; F97-F106 HydrophobicContact CD2-CZ 4.28Å; F97-F106 HydrophobicContact CG-CD2 4.47Å; F97-F106 HydrophobicContact CG-CE2 4.02Å; F97-F106 HydrophobicContact CG-CZ 4.15Å; F97-F106 PolarHBondContact N-O 3.26Å; F97-F106 PolarHBondContact O-N 2.91Å; F97-A108 HydrophobicContact CE2-CB 3.92Å
98Y97.4Very high96.4Very high63 Ų6339 Ų3925%0.24718%0.183CC..EExtended strand (participates in β ladder)trans-124.9126.7177.7171.5-97.2000109.8V68 I69 K100 H103V68-Y98 WeakPolarHBondContact CA-O 3.44Å; I69-Y98 HydrophobicContact CD1-CD1 4.22Å; I69-Y98 HydrophobicContact CG1-CD1 4.09Å; I69-Y98 WeakPolarHBondContact CG1-O 3.2Å; I69-Y98 PolarHBondContact N-O 2.86Å; I69-Y98 PolarHBondContact O-N 2.87Å; Y98-K100 HydrophobicContact CD1-CG 4.35Å; Y98-K100 HydrophobicContact CE1-CG 4.21Å; Y98-H103 HydrophobicContact CE2-CB 4.23Å; Y98-H103 AromaticContact CZ-ND1 3.75Å; Y98-H103 PolarHBondContact OH-ND1 3.15Å
99C97.6Very high96.4Very high0 Ų042.1 Ų42.10%020%0.197CC..EExtended strand (participates in β ladder)trans-85.9120.9175-175.10000110.4C60 V68 Q101 C102 H103 H104C60-C99 HydrophobicContact CB-CB 4.07Å; C60-C99 VanDerWaalsContact SG-CB 3.59Å; V68-C99 HydrophobicContact CG2-CB 4.29Å; C99-Q101 PolarHBondContact O-N 3.36Å; C99-Q101 PolarHBondContact SG-N 2.93Å; C99-C102 VanDerWaalsContact SG-SG 3.61Å; C99-H103 WeakPolarHBondContact O-CA 3.38Å; C99-H103 PolarHBondContact O-N 3.04Å; C99-H104 PolarHBondContact N-O 3.05Å
100K96.8Very high96.4Very high130 Ų13042 Ų4257%0.56520%0.198SC*.THydrogen-bonded Turntrans-69.5-18.4175.9-67.6-174.4175.3-178.70113.8S67 I69 Y98S67-K100 PolarHBondContact O-N 3.14Å; I69-K100 HydrophobicContact CG2-CD 4.41Å; Y98-K100 HydrophobicContact CD1-CG 4.35Å; Y98-K100 HydrophobicContact CE1-CG 4.21Å
101Q95.2Very high96.3Very high115 Ų11547.9 Ų47.954%0.53722%0.221SC..THydrogen-bonded Turntrans-85.8-51.4-177.5-173.667.77.800112.7Y65 C99Y65-Q101 HydrophobicContact CD2-CG 4.09Å; Y65-Q101 HydrophobicContact CE2-CG 4.49Å; Y65-Q101 HydrophobicContact CG-CG 4.45Å; C99-Q101 PolarHBondContact O-N 3.36Å; C99-Q101 PolarHBondContact SG-N 2.93Å
102C96.5Very high96.2Very high46 Ų4648 Ų4831%0.31122%0.221SC..THydrogen-bonded Turntrans-109.82.6-17668.20000113.8C63 C99 H104C63-C102 HydrophobicContact CB-CB 4.02Å; C63-C102 PolarHBondContact SG-SG 2.79Å; C99-C102 VanDerWaalsContact SG-SG 3.61Å; C102-H104 PolarHBondContact O-N 3.36Å; C102-H104 WeakPolarHBondContact SG-CB 2.84Å
103H95.9Very high96.2Very high125 Ų12548.1 Ų48.158%0.57922%0.222SC*.  trans61.55.1-177.5-51.1-74.3000115.3Y98 C99Y98-H103 HydrophobicContact CE2-CB 4.23Å; Y98-H103 AromaticContact CZ-ND1 3.75Å; Y98-H103 PolarHBondContact OH-ND1 3.15Å; C99-H103 WeakPolarHBondContact O-CA 3.38Å; C99-H103 PolarHBondContact O-N 3.04Å
104H96.3Very high96Very high75 Ų7549.1 Ų49.135%0.34724%0.235SC..  trans-66140.7177.1-17272.9000111.5C62 C99 C102 F106C62-H104 HydrophobicContact CB-CB 3.76Å; C99-H104 PolarHBondContact N-O 3.05Å; C102-H104 PolarHBondContact O-N 3.36Å; C102-H104 WeakPolarHBondContact SG-CB 2.84Å; H104-F106 AromaticContact CD2-CD1 3.94Å
105T95.8Very high95.8Very high50 Ų5054 Ų5431%0.30726%0.258SS..EExtended strand (participates in β ladder)trans-122.5132.1179.6-59.70000110.6F97F97-T105 VanDerWaalsContact O-CA 3.25Å; F97-T105 WeakPolarHBondContact O-CA 3.32Å; F97-T105 WeakPolarHBondContact O-CG2 3.15Å
106F95.7Very high95.4Very high12 Ų1260 Ų605%0.05329%0.29CS..EExtended strand (participates in β ladder)trans-139.8173.5178.760.5-77.2000110.6P58 E61 V68 R96 F97 H104P58-F106 HydrophobicContact CG-CE2 3.61Å; P58-F106 HydrophobicContact CG-CZ 3.81Å; E61-F106 HydrophobicContact CG-CD2 3.83Å; E61-F106 HydrophobicContact CG-CE2 3.89Å; E61-F106 HydrophobicContact CG-CG 4.23Å; E61-F106 HydrophobicContact CG-CZ 4.35Å; E61-F106 WeakPolarHBondContact OE1-CD2 3.44Å; V68-F106 HydrophobicContact CG1-CE1 4.14Å; V68-F106 HydrophobicContact CG1-CZ 3.94Å; V68-F106 HydrophobicContact CG2-CE1 4.24Å; V68-F106 HydrophobicContact CG2-CZ 4.28Å; R96-F106 CarbonylContact C-O 3.59Å; R96-F106 WeakPolarHBondContact CA-O 3.42Å; F97-F106 HydrophobicContact CB-CD1 4.06Å; F97-F106 HydrophobicContact CB-CD2 4.15Å; F97-F106 HydrophobicContact CB-CE1 3.75Å; F97-F106 HydrophobicContact CB-CE2 3.86Å; F97-F106 HydrophobicContact CB-CG 4.25Å; F97-F106 HydrophobicContact CB-CZ 3.65Å; F97-F106 AromaticContact CD2-CD2 3.92Å; F97-F106 HydrophobicContact CD2-CD2 3.92Å; F97-F106 AromaticContact CD2-CE2 3.67Å; F97-F106 HydrophobicContact CD2-CE2 3.67Å; F97-F106 HydrophobicContact CD2-CZ 4.28Å; F97-F106 HydrophobicContact CG-CD2 4.47Å; F97-F106 HydrophobicContact CG-CE2 4.02Å; F97-F106 HydrophobicContact CG-CZ 4.15Å; F97-F106 PolarHBondContact N-O 3.26Å; F97-F106 PolarHBondContact O-N 2.91Å; H104-F106 AromaticContact CD2-CD1 3.94Å
107S95.7Very high95.3Very high27 Ų2756.8 Ų56.819%0.18928%0.281CS..EExtended strand (participates in β ladder)trans-124.9153.5-176.5-58.70000111.2Q95 K109Q95-S107 CarbonylContact O-C 3.49Å; Q95-S107 WeakPolarHBondContact O-CA 3.48Å; S107-K109 WeakPolarHBondContact O-CG 3.28Å
108A96Very high95.1Very high3 Ų362.5 Ų62.53%0.02530%0.303CS..  trans-57137.417400000111.7L53 Y55 Q95 F97L53-A108 HydrophobicContact CD2-CB 3.98Å; L53-A108 WeakPolarHBondContact CD2-O 3.4Å; L53-A108 HydrophobicContact CG-CB 3.8Å; Y55-A108 HydrophobicContact CD1-CB 4.27Å; Y55-A108 HydrophobicContact CE1-CB 3.56Å; Y55-A108 VanDerWaalsContact OH-CA 3.27Å; Y55-A108 WeakPolarHBondContact OH-CA 3.43Å; Q95-A108 HydrophobicContact CB-CB 4.17Å; Q95-A108 WeakPolarHBondContact O-CB 3.48Å; Q95-A108 PolarHBondContact O-N 3.48Å; F97-A108 HydrophobicContact CE2-CB 3.92Å
109K95.8Very high95.1Very high71 Ų7160.8 Ų60.831%0.30930%0.298SS..  trans-112.4155.3-175-58.1178.6-175.4-173.60110.5Y55 E61 S107 E115Y55-K109 PolarHBondContact OH-N 3.48Å; E61-K109 VanDerWaalsContact CD-NZ 3.3Å; E61-K109 WeakPolarHBondContact OE1-CE 3.34Å; E61-K109 IonicContact OE1-NZ 3.55Å; E61-K109 PolarHBondContact OE1-NZ 3.1Å; E61-K109 VanDerWaalsContact OE1-NZ 3.16Å; E61-K109 WeakPolarHBondContact OE2-CE 3.34Å; E61-K109 IonicContact OE2-NZ 3.47Å; E61-K109 PolarHBondContact OE2-NZ 3.38Å; S107-K109 WeakPolarHBondContact O-CG 3.28Å; K109-E115 HydrophobicContact CD-CG 4.26Å; K109-E115 WeakPolarHBondContact CD-OE1 3.28Å; K109-E115 WeakPolarHBondContact CE-OE1 3.45Å; K109-E115 WeakPolarHBondContact CE-OE2 3.44Å; K109-E115 HydrophobicContact CG-CG 4.37Å; K109-E115 IonicContact NZ-OE1 2.77Å; K109-E115 PolarHBondContact NZ-OE1 3.08Å; K109-E115 IonicContact NZ-OE2 3Å
110T96.7Very high95Very high18 Ų1860.8 Ų60.811%0.1130%0.299CS..BIsolated β-bridgetrans-151.1150.9177.3178.50000109D26 I29 L53 Y112 V113D26-T110 WeakPolarHBondContact OD2-CB 3.19Å; D26-T110 PolarHBondContact OD2-OG1 3.28Å; I29-T110 HydrophobicContact CD1-CG2 4.43Å; L53-T110 HydrophobicContact CD2-CG2 3.82Å; T110-Y112 PolarHBondContact O-N 2.97Å; T110-Y112 PolarHBondContact OG1-N 2.78Å; T110-V113 HydrophobicContact CG2-CG1 3.84Å
111Y95Very high95Very high124 Ų12458 Ų5849%0.48629%0.287SS..THydrogen-bonded Turntrans-69.3-19173.273.9-94000112.2H25 D26 V113H25-Y111 WeakPolarHBondContact CA-OH 3.39Å; H25-Y111 WeakPolarHBondContact CB-OH 3.29Å; H25-Y111 PolarHBondContact N-OH 2.91Å; D26-Y111 HydrophobicContact CB-CD1 4.48Å; D26-Y111 HydrophobicContact CB-CE1 3.86Å; Y111-V113 VanDerWaalsContact C-N 3.26Å; Y111-V113 PolarHBondContact O-N 2.74Å
112Y95.9Very high95Very high15 Ų1554.5 Ų54.56%0.05928%0.278CS..THydrogen-bonded Turntrans-68-26.5-174.1-159.1-98.2000113L22 I24 L80 L90 T110 S120 Q121L22-Y112 PolarHBondContact O-OH 3.01Å; I24-Y112 HydrophobicContact CB-CE2 4.35Å; I24-Y112 HydrophobicContact CD1-CE1 4.32Å; I24-Y112 HydrophobicContact CD1-CE2 4.36Å; I24-Y112 HydrophobicContact CG1-CD2 3.79Å; I24-Y112 HydrophobicContact CG1-CE1 4.14Å; I24-Y112 HydrophobicContact CG1-CE2 3.35Å; I24-Y112 HydrophobicContact CG1-CG 4.34Å; L80-Y112 HydrophobicContact CD2-CE1 3.79Å; L90-Y112 HydrophobicContact CD2-CD1 4.04Å; L90-Y112 HydrophobicContact CD2-CE1 4.06Å; T110-Y112 PolarHBondContact O-N 2.97Å; T110-Y112 PolarHBondContact OG1-N 2.78Å; Y112-S120 WeakPolarHBondContact O-CA 3.2Å; Y112-Q121 PolarHBondContact O-N 2.92Å
113V95.9Very high95Very high4 Ų452.3 Ų52.32%0.02426%0.264CS..BIsolated β-bridgetrans-145.5129.3173.760.80000110.1I78 T110 Y111 C117I78-V113 HydrophobicContact CD1-CB 4.19Å; I78-V113 HydrophobicContact CD1-CG1 3.56Å; I78-V113 HydrophobicContact CG1-CB 4.41Å; I78-V113 HydrophobicContact CG1-CG1 4.16Å; I78-V113 HydrophobicContact CG1-CG2 4.25Å; I78-V113 HydrophobicContact CG2-CB 4.14Å; I78-V113 HydrophobicContact CG2-CG2 4.08Å; T110-V113 HydrophobicContact CG2-CG1 3.84Å; Y111-V113 VanDerWaalsContact C-N 3.26Å; Y111-V113 PolarHBondContact O-N 2.74Å; V113-C117 HydrophobicContact CG2-CB 4.12Å; V113-C117 VanDerWaalsContact CG2-O 3.25Å; V113-C117 WeakPolarHBondContact CG2-O 3.3Å
114A92.9Very high95.1Very high42 Ų4247.9 Ų47.935%0.34724%0.242SC..  trans-61.1157.2175.700000112.3C117A114-C117 HydrophobicContact CB-CB 4.03Å; A114-C117 VanDerWaalsContact O-CB 3.3Å; A114-C117 WeakPolarHBondContact O-CB 3.28Å; A114-C117 PolarHBondContact O-N 3.09Å
115E90.7Very high95.1Very high122 Ų12249.2 Ų49.257%0.5725%0.248SC*.THydrogen-bonded Turntrans-57.3142173.6-64.9-170.9-133.200111.5K109 C117K109-E115 HydrophobicContact CD-CG 4.26Å; K109-E115 WeakPolarHBondContact CD-OE1 3.28Å; K109-E115 WeakPolarHBondContact CE-OE1 3.45Å; K109-E115 WeakPolarHBondContact CE-OE2 3.44Å; K109-E115 HydrophobicContact CG-CG 4.37Å; K109-E115 IonicContact NZ-OE1 2.77Å; K109-E115 PolarHBondContact NZ-OE1 3.08Å; K109-E115 IonicContact NZ-OE2 3Å; E115-C117 PolarHBondContact O-N 2.82Å
116N89.1Confident95.2Very high129 Ų12947.6 Ų47.669%0.6924%0.239SC*.THydrogen-bonded Turntrans5324.6-178-55.8-44.3000114.8
117C92.7Very high95.3Very high21 Ų2147 Ų4714%0.14224%0.237CC..  trans-115.7151.7176.3-171.10000110.9V113 A114 E115 L119 K124V113-C117 HydrophobicContact CG2-CB 4.12Å; V113-C117 VanDerWaalsContact CG2-O 3.25Å; V113-C117 WeakPolarHBondContact CG2-O 3.3Å; A114-C117 HydrophobicContact CB-CB 4.03Å; A114-C117 VanDerWaalsContact O-CB 3.3Å; A114-C117 WeakPolarHBondContact O-CB 3.28Å; A114-C117 PolarHBondContact O-N 3.09Å; E115-C117 PolarHBondContact O-N 2.82Å; C117-L119 PolarHBondContact SG-N 3.19Å; C117-L119 PolarHBondContact SG-O 3.05Å; C117-K124 WeakPolarHBondContact SG-CE 3.32Å; C117-K124 PolarHBondContact SG-NZ 2.95Å
118Y94.7Very high95.4Very high120 Ų12045.8 Ų45.847%0.47123%0.228SC..  trans-124.115.9-178.5-60-84.3000112W77 I78 Q79W77-Y118 WeakPolarHBondContact O-CB 3.45Å; I78-Y118 CarbonylContact C-O 3.58Å; I78-Y118 WeakPolarHBondContact CA-O 3.37Å; Q79-Y118 PolarHBondContact N-O 3.04Å
119L96.1Very high95.4Very high27 Ų2748.1 Ų48.114%0.14124%0.242CC..BIsolated β-bridgetrans-120.6133.4173.8-55.1177.2000108.2Q79 C117 L123 K124 V146 T150Q79-L119 HydrophobicContact CB-CD2 3.83Å; C117-L119 PolarHBondContact SG-N 3.19Å; C117-L119 PolarHBondContact SG-O 3.05Å; L119-L123 HydrophobicContact CB-CD2 4.25Å; L119-L123 HydrophobicContact CD2-CD2 3.88Å; L119-K124 HydrophobicContact CB-CG 4.44Å; L119-V146 HydrophobicContact CD2-CG1 4.25Å; L119-T150 HydrophobicContact CD1-CG2 3.33Å
120S96.6Very high95.5Very high1 Ų144.8 Ų44.81%0.00723%0.227CC..  trans-64.3154.9176.270.70000111.8Q79 Y112 A122 L123 K124Q79-S120 PolarHBondContact O-N 2.83Å; Q79-S120 PolarHBondContact O-OG 2.89Å; Y112-S120 WeakPolarHBondContact O-CA 3.2Å; S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.36Å; S120-L123 PolarHBondContact O-N 3.46Å; S120-L123 WeakPolarHBondContact OG-CB 3.39Å; S120-L123 PolarHBondContact OG-N 3.26Å; S120-K124 PolarHBondContact O-N 3.02Å
121Q95.6Very high95.5Very high71 Ų7144 Ų4433%0.33222%0.222SC..Hα-helixtrans-62.3-37.3176.3-169.665.46.400111.3Y112 L123 K124 F125Y112-Q121 PolarHBondContact O-N 2.92Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.31Å; Q121-K124 PolarHBondContact O-N 2.85Å; Q121-F125 WeakPolarHBondContact O-CB 3.31Å; Q121-F125 PolarHBondContact O-N 3.5Å
122A96Very high95.6Very high42 Ų4241.3 Ų41.335%0.34721%0.213SC..Hα-helixtrans-60.8-40.4175.300000112.6S120 F125 A126S120-A122 VanDerWaalsContact C-N 3.26Å; S120-A122 PolarHBondContact O-N 3.36Å; A122-F125 PolarHBondContact O-N 2.99Å; A122-A126 WeakPolarHBondContact O-CB 3.13Å; A122-A126 PolarHBondContact O-N 2.88Å
123L96.9Very high95.6Very high0 Ų045.4 Ų45.40%023%0.231CC..Hα-helixtrans-65.1-44.8176.6179.560.6000111.6Q79 L81 L119 S120 Q121 F125 A126 I127 Y144 V146Q79-L123 HydrophobicContact CB-CD2 4.16Å; Q79-L123 HydrophobicContact CG-CD2 3.93Å; L81-L123 HydrophobicContact CD2-CD1 3.79Å; L81-L123 HydrophobicContact CG-CD1 4.5Å; L119-L123 HydrophobicContact CB-CD2 4.25Å; L119-L123 HydrophobicContact CD2-CD2 3.88Å; S120-L123 PolarHBondContact O-N 3.46Å; S120-L123 WeakPolarHBondContact OG-CB 3.39Å; S120-L123 PolarHBondContact OG-N 3.26Å; Q121-L123 VanDerWaalsContact C-N 3.34Å; Q121-L123 PolarHBondContact O-N 3.31Å; L123-F125 VanDerWaalsContact C-N 3.35Å; L123-F125 PolarHBondContact O-N 2.98Å; L123-A126 PolarHBondContact O-N 3.37Å; L123-I127 HydrophobicContact CG-CD1 4.41Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 3.45Å; L123-Y144 HydrophobicContact CD1-CD1 3.79Å; L123-Y144 HydrophobicContact CD1-CG 4.08Å; L123-V146 HydrophobicContact CD2-CG1 4.43Å
124K97.2Very high95.5Very high31 Ų3152 Ų5214%0.13526%0.259CS..Hα-helixtrans-62.2-42.4175.7-65.9-178.4-177.3178.80111.9C117 L119 S120 Q121 A126 I127 A128 V154 F158C117-K124 WeakPolarHBondContact SG-CE 3.32Å; C117-K124 PolarHBondContact SG-NZ 2.95Å; L119-K124 HydrophobicContact CB-CG 4.44Å; S120-K124 PolarHBondContact O-N 3.02Å; Q121-K124 PolarHBondContact O-N 2.85Å; K124-A126 PolarHBondContact O-N 3.45Å; K124-I127 WeakPolarHBondContact O-CB 3.48Å; K124-I127 PolarHBondContact O-N 3.09Å; K124-A128 PolarHBondContact O-N 3.16Å; K124-V154 HydrophobicContact CB-CG2 4.35Å; K124-V154 HydrophobicContact CG-CG2 4.2Å; K124-F158 HydrophobicContact CB-CD2 4.05Å; K124-F158 HydrophobicContact CB-CE2 3.5Å; K124-F158 HydrophobicContact CB-CZ 3.75Å; K124-F158 HydrophobicContact CD-CD2 4.3Å; K124-F158 HydrophobicContact CD-CE2 3.88Å; K124-F158 HydrophobicContact CG-CE2 4.37Å
125F96.7Very high95.6Very high104 Ų10452.4 Ų52.446%0.45626%0.255SS..Hα-helixtrans-61-44175.8-178.9-96.4000111.7Q121 A122 L123 I127 A128 V129 F158 I437Q121-F125 WeakPolarHBondContact O-CB 3.31Å; Q121-F125 PolarHBondContact O-N 3.5Å; A122-F125 PolarHBondContact O-N 2.99Å; L123-F125 VanDerWaalsContact C-N 3.35Å; L123-F125 PolarHBondContact O-N 2.98Å; F125-I127 PolarHBondContact O-N 2.95Å; F125-A128 WeakPolarHBondContact O-CB 3.35Å; F125-A128 PolarHBondContact O-N 2.87Å; F125-A128 VanDerWaalsContact O-N 3.1Å; F125-V129 HydrophobicContact CD1-CG2 4.02Å; F125-V129 HydrophobicContact CE1-CG2 3.59Å; F125-V129 HydrophobicContact CE2-CG2 4.41Å; F125-V129 HydrophobicContact CZ-CG2 3.81Å; F125-V129 WeakPolarHBondContact O-CG2 3.32Å; F125-V129 PolarHBondContact O-N 3.43Å; F125-F158 HydrophobicContact CB-CE1 4.05Å; F125-F158 HydrophobicContact CB-CZ 4.28Å; F125-F158 HydrophobicContact CD2-CE1 4.2Å; F125-I437 HydrophobicContact CD2-CG2 3.85Å; F125-I437 HydrophobicContact CE2-CD1 4.4Å; F125-I437 HydrophobicContact CE2-CG2 3.89Å
126A97.3Very high95.8Very high16 Ų1646.8 Ų46.813%0.13223%0.23CC..Hα-helixtrans-61.3-43.1176.200000112.1L81 A122 L123 K124 A128 V129 D130 Y144L81-A126 HydrophobicContact CD2-CB 3.55Å; A122-A126 WeakPolarHBondContact O-CB 3.13Å; A122-A126 PolarHBondContact O-N 2.88Å; L123-A126 PolarHBondContact O-N 3.37Å; K124-A126 PolarHBondContact O-N 3.45Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 3.11Å; A126-V129 PolarHBondContact O-N 3.35Å; A126-D130 WeakPolarHBondContact O-CB 3.26Å; A126-D130 PolarHBondContact O-N 3.42Å; A126-Y144 HydrophobicContact CB-CE1 3.81Å; A126-Y144 PolarHBondContact O-OH 3.18Å
127I98.1Very high96.1Very high0 Ų041.7 Ų41.70%020%0.202CC..Hα-helixtrans-57-46.5171.5-68.8166.8000110.4L123 K124 F125 D130 L131 I140 Y144 V146 V151 V154L123-I127 HydrophobicContact CG-CD1 4.41Å; L123-I127 WeakPolarHBondContact O-CG1 3.44Å; L123-I127 PolarHBondContact O-N 3.45Å; K124-I127 WeakPolarHBondContact O-CB 3.48Å; K124-I127 PolarHBondContact O-N 3.09Å; F125-I127 PolarHBondContact O-N 2.95Å; I127-D130 CarbonylContact O-C 3.44Å; I127-D130 PolarHBondContact O-N 2.75Å; I127-L131 HydrophobicContact CG2-CD1 4.03Å; I127-L131 HydrophobicContact CG2-CG 4.26Å; I127-L131 VanDerWaalsContact O-CG 3.25Å; I127-L131 WeakPolarHBondContact O-CG 3.34Å; I127-L131 PolarHBondContact O-N 3.28Å; I127-I140 HydrophobicContact CB-CG2 4.42Å; I127-I140 HydrophobicContact CG1-CG2 4.27Å; I127-I140 HydrophobicContact CG2-CG2 3.96Å; I127-Y144 HydrophobicContact CG1-CD2 3.53Å; I127-Y144 HydrophobicContact CG1-CE2 4.06Å; I127-Y144 HydrophobicContact CG1-CG 3.97Å; I127-V146 HydrophobicContact CD1-CG2 4.11Å; I127-V151 HydrophobicContact CG2-CB 4.47Å; I127-V151 HydrophobicContact CG2-CG1 4.13Å; I127-V151 HydrophobicContact CG2-CG2 4.29Å; I127-V154 HydrophobicContact CB-CG1 4.13Å; I127-V154 HydrophobicContact CD1-CG2 4.32Å; I127-V154 HydrophobicContact CG2-CB 3.82Å; I127-V154 HydrophobicContact CG2-CG1 3.69Å; I127-V154 HydrophobicContact CG2-CG2 4.11Å
128A97.4Very high96.3Very high0 Ų048.1 Ų48.10%023%0.227CC..Hα-helixtrans-61.9-42.617900000113K124 F125 A126 D130 L131 K132 V154 F158 F159 I437K124-A128 PolarHBondContact O-N 3.16Å; F125-A128 WeakPolarHBondContact O-CB 3.35Å; F125-A128 PolarHBondContact O-N 2.87Å; F125-A128 VanDerWaalsContact O-N 3.1Å; A126-A128 VanDerWaalsContact C-N 3.33Å; A126-A128 PolarHBondContact O-N 3.11Å; A128-D130 VanDerWaalsContact C-N 3.33Å; A128-D130 PolarHBondContact O-N 2.88Å; A128-L131 WeakPolarHBondContact O-CB 3.39Å; A128-L131 PolarHBondContact O-N 2.56Å; A128-K132 PolarHBondContact O-N 3.11Å; A128-V154 HydrophobicContact CB-CG1 4.24Å; A128-F158 HydrophobicContact CB-CD1 3.58Å; A128-F158 HydrophobicContact CB-CE1 4.2Å; A128-F158 HydrophobicContact CB-CG 4.41Å; A128-F159 HydrophobicContact CB-CE2 4.01Å; A128-F159 HydrophobicContact CB-CZ 3.83Å; A128-F159 WeakPolarHBondContact O-CZ 3.33Å; A128-I437 HydrophobicContact CB-CD1 3.96Å; A128-I437 HydrophobicContact CB-CG1 4.17Å; A128-I437 HydrophobicContact CB-CG2 4.4Å
129V97Very high96.4Very high52 Ų5246.1 Ų46.132%0.31523%0.225SC..Hα-helixtrans-60.5-44.9174.1170.90000110.9F125 A126 L131 K132 I437F125-V129 HydrophobicContact CD1-CG2 4.02Å; F125-V129 HydrophobicContact CE1-CG2 3.59Å; F125-V129 HydrophobicContact CE2-CG2 4.41Å; F125-V129 HydrophobicContact CZ-CG2 3.81Å; F125-V129 WeakPolarHBondContact O-CG2 3.32Å; F125-V129 PolarHBondContact O-N 3.43Å; A126-V129 PolarHBondContact O-N 3.35Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 2.68Å; V129-K132 WeakPolarHBondContact O-CB 3.23Å; V129-K132 PolarHBondContact O-N 2.98Å; V129-K132 VanDerWaalsContact O-N 3.08Å; V129-I437 HydrophobicContact CG2-CD1 4.14Å
130D97.5Very high96.4Very high2 Ų244.8 Ų44.81%0.01122%0.218CC..Hα-helixtrans-69.2-26.5177.6-94.916000112.6A126 I127 A128 K132 K133 I135 I140 R143 Y144A126-D130 WeakPolarHBondContact O-CB 3.26Å; A126-D130 PolarHBondContact O-N 3.42Å; I127-D130 CarbonylContact O-C 3.44Å; I127-D130 PolarHBondContact O-N 2.75Å; A128-D130 VanDerWaalsContact C-N 3.33Å; A128-D130 PolarHBondContact O-N 2.88Å; D130-K132 PolarHBondContact O-N 2.67Å; D130-K133 WeakPolarHBondContact O-CB 3.49Å; D130-K133 PolarHBondContact O-N 3.09Å; D130-K133 WeakPolarHBondContact OD1-CD 3.37Å; D130-K133 WeakPolarHBondContact OD1-CE 3.43Å; D130-K133 IonicContact OD1-NZ 2.73Å; D130-K133 PolarHBondContact OD1-NZ 3.19Å; D130-I135 HydrophobicContact CB-CD1 3.91Å; D130-I140 HydrophobicContact CB-CD1 4.24Å; D130-I140 HydrophobicContact CB-CG1 4.18Å; D130-R143 WeakPolarHBondContact OD2-CD 3.49Å; D130-R143 IonicContact OD2-NE 3.01Å; D130-Y144 HydrophobicContact CB-CE2 4.08Å; D130-Y144 WeakPolarHBondContact OD2-CE2 3.35Å; D130-Y144 PolarHBondContact OD2-OH 3.2Å
131L97.1Very high96.5Very high0 Ų045.1 Ų45.10%022%0.221CC..Hα-helixtrans-65.3-19.6171.2-71.7167.3000112.6I127 A128 V129 K133 M137 I140 V151 V154 L155 F159 R427I127-L131 HydrophobicContact CG2-CD1 4.03Å; I127-L131 HydrophobicContact CG2-CG 4.26Å; I127-L131 VanDerWaalsContact O-CG 3.25Å; I127-L131 WeakPolarHBondContact O-CG 3.34Å; I127-L131 PolarHBondContact O-N 3.28Å; A128-L131 WeakPolarHBondContact O-CB 3.39Å; A128-L131 PolarHBondContact O-N 2.56Å; V129-L131 VanDerWaalsContact C-N 3.28Å; V129-L131 PolarHBondContact O-N 2.68Å; L131-K133 VanDerWaalsContact C-N 3.3Å; L131-M137 HydrophobicContact CD2-CE 4.29Å; L131-M137 HydrophobicContact CD2-CG 4.18Å; L131-I140 HydrophobicContact CD2-CD1 3.77Å; L131-I140 HydrophobicContact CG-CD1 4.08Å; L131-V151 HydrophobicContact CD2-CG1 3.58Å; L131-V151 HydrophobicContact CG-CG1 4.36Å; L131-V154 HydrophobicContact CD1-CG1 4.18Å; L131-L155 HydrophobicContact CD1-CB 4.06Å; L131-L155 HydrophobicContact CD1-CD1 4.16Å; L131-L155 HydrophobicContact CD2-CD1 4.18Å; L131-F159 HydrophobicContact CB-CE2 4.27Å; L131-F159 HydrophobicContact CB-CZ 4.08Å; L131-F159 HydrophobicContact CD1-CE2 3.76Å; L131-F159 HydrophobicContact CD1-CZ 4.36Å; L131-R427 VanDerWaalsContact C-NH1 3.32Å; L131-R427 PolarHBondContact O-NE 2.84Å; L131-R427 PolarHBondContact O-NH1 3.36Å; L131-R427 PolarHBondContact O-NH2 2.87Å
132K95.6Very high96.4Very high69 Ų6948.5 Ų48.530%0.324%0.237SC..THydrogen-bonded Turntrans-76.2-15.4171.1-64.8-176.9171.4-173.40113.4A128 V129 D130 I430 I437A128-K132 PolarHBondContact O-N 3.11Å; V129-K132 WeakPolarHBondContact O-CB 3.23Å; V129-K132 PolarHBondContact O-N 2.98Å; V129-K132 VanDerWaalsContact O-N 3.08Å; D130-K132 PolarHBondContact O-N 2.67Å; K132-I430 HydrophobicContact CB-CG2 4.37Å; K132-I430 HydrophobicContact CG-CG2 3.64Å; K132-I437 HydrophobicContact CD-CD1 4.3Å
133K95.7Very high96.4Very high100 Ų10054.1 Ų54.144%0.43525%0.249SC..SBendtrans-89.9162.2-177.8-59.4175.9-174.4164.40112.1D130 L131 I135 R427 Q431D130-K133 WeakPolarHBondContact O-CB 3.49Å; D130-K133 PolarHBondContact O-N 3.09Å; D130-K133 WeakPolarHBondContact OD1-CD 3.37Å; D130-K133 WeakPolarHBondContact OD1-CE 3.43Å; D130-K133 IonicContact OD1-NZ 2.73Å; D130-K133 PolarHBondContact OD1-NZ 3.19Å; L131-K133 VanDerWaalsContact C-N 3.3Å; K133-I135 HydrophobicContact CB-CD1 4.28Å; K133-I135 HydrophobicContact CB-CG1 4.13Å; K133-I135 PolarHBondContact O-N 2.94Å; K133-R427 PolarHBondContact O-NH2 3.29Å; K133-R427 VanDerWaalsContact O-NH2 3.08Å; K133-Q431 PolarHBondContact O-NE2 3.3Å
134K93.7Very high96.4Very high142 Ų14255.2 Ų55.262%0.61725%0.253SS*.SBendtrans-80.654.9176.9-63.6175.8-174.2164.50112.5
135I94.8Very high96.2Very high51 Ų5156.2 Ų56.226%0.26226%0.26SS..  trans-122.6156.8177.857.7-179.6000110.3D130 K133 I140 R427D130-I135 HydrophobicContact CB-CD1 3.91Å; K133-I135 HydrophobicContact CB-CD1 4.28Å; K133-I135 HydrophobicContact CB-CG1 4.13Å; K133-I135 PolarHBondContact O-N 2.94Å; I135-I140 HydrophobicContact CD1-CD1 3.95Å; I135-I140 HydrophobicContact CD1-CG1 3.42Å; I135-I140 VanDerWaalsContact CD1-CG1 3.42Å; I135-I140 HydrophobicContact CG1-CD1 3.87Å; I135-I140 HydrophobicContact CG1-CG1 3.72Å; I135-R427 PolarHBondContact O-NH2 3.19Å
136S95.8Very high96.1Very high4 Ų452.3 Ų52.33%0.02824%0.244CC..  trans-78.4155.9-179.984.10000111K138 D139 I140 V414S136-K138 PolarHBondContact O-N 3.11Å; S136-K138 PolarHBondContact OG-N 3.18Å; S136-D139 WeakPolarHBondContact CB-OD2 3.36Å; S136-D139 PolarHBondContact N-OD2 2.75Å; S136-D139 VanDerWaalsContact N-OD2 3.14Å; S136-D139 PolarHBondContact O-N 2.95Å; S136-D139 PolarHBondContact OG-N 3.08Å; S136-D139 PolarHBondContact OG-OD1 3.27Å; S136-D139 PolarHBondContact OG-OD2 3.22Å; S136-I140 WeakPolarHBondContact O-CG1 3.25Å; S136-I140 PolarHBondContact O-N 3.3Å; S136-I140 VanDerWaalsContact O-N 3.1Å; S136-V414 VanDerWaalsContact CB-O 3.24Å; S136-V414 WeakPolarHBondContact CB-O 3.27Å
137M95.9Very high96Very high22 Ų2254.5 Ų54.511%0.10826%0.258CS..Hα-helixtrans-63.8-26.4174.2-67.6176.2-17900112.2L131 A141 V151 E152 L155 F418L131-M137 HydrophobicContact CD2-CE 4.29Å; L131-M137 HydrophobicContact CD2-CG 4.18Å; M137-A141 VanDerWaalsContact O-CB 3.22Å; M137-A141 WeakPolarHBondContact O-CB 3.42Å; M137-A141 PolarHBondContact O-N 3.38Å; M137-V151 HydrophobicContact CB-CB 4.46Å; M137-V151 HydrophobicContact CB-CG1 3.85Å; M137-V151 HydrophobicContact CG-CG1 3.86Å; M137-E152 HydrophobicContact SD-CG 4.1Å; M137-L155 HydrophobicContact CE-CD1 4.07Å; M137-L155 HydrophobicContact CE-CD2 3.6Å; M137-L155 HydrophobicContact CE-CG 4.31Å; M137-F418 HydrophobicContact CE-CE1 4.09Å
138K96.1Very high95.9Very high156 Ų15656.6 Ų56.668%0.67828%0.276SS*.Hα-helixtrans-68.9-41.2175.1-169.6-175.8177.8-172.90111.1S136 A141 Q142S136-K138 PolarHBondContact O-N 3.11Å; S136-K138 PolarHBondContact OG-N 3.18Å; K138-A141 WeakPolarHBondContact O-CB 3.38Å; K138-A141 PolarHBondContact O-N 3.33Å; K138-Q142 WeakPolarHBondContact O-CB 3.38Å; K138-Q142 PolarHBondContact O-N 3.28Å
139D96.9Very high95.8Very high78 Ų7861.6 Ų61.642%0.41730%0.297SS..Hα-helixtrans-66.7-41.7177.2-53.5-39.4000110.8S136 A141 Q142 R143S136-D139 WeakPolarHBondContact CB-OD2 3.36Å; S136-D139 PolarHBondContact N-OD2 2.75Å; S136-D139 VanDerWaalsContact N-OD2 3.14Å; S136-D139 PolarHBondContact O-N 2.95Å; S136-D139 PolarHBondContact OG-N 3.08Å; S136-D139 PolarHBondContact OG-OD1 3.27Å; S136-D139 PolarHBondContact OG-OD2 3.22Å; D139-A141 VanDerWaalsContact C-N 3.33Å; D139-A141 PolarHBondContact O-N 2.92Å; D139-Q142 PolarHBondContact O-N 3.07Å; D139-R143 WeakPolarHBondContact O-CB 3.45Å; D139-R143 PolarHBondContact O-N 3.29Å
140I97.4Very high95.8Very high0 Ų060.2 Ų60.20%029%0.289CS..Hα-helixtrans-59.6-46.8173.5-64.4172.6000110.2I127 D130 L131 I135 S136 Q142 R143 Y144 V151I127-I140 HydrophobicContact CB-CG2 4.42Å; I127-I140 HydrophobicContact CG1-CG2 4.27Å; I127-I140 HydrophobicContact CG2-CG2 3.96Å; D130-I140 HydrophobicContact CB-CD1 4.24Å; D130-I140 HydrophobicContact CB-CG1 4.18Å; L131-I140 HydrophobicContact CD2-CD1 3.77Å; L131-I140 HydrophobicContact CG-CD1 4.08Å; I135-I140 HydrophobicContact CD1-CD1 3.95Å; I135-I140 HydrophobicContact CD1-CG1 3.42Å; I135-I140 VanDerWaalsContact CD1-CG1 3.42Å; I135-I140 HydrophobicContact CG1-CD1 3.87Å; I135-I140 HydrophobicContact CG1-CG1 3.72Å; S136-I140 WeakPolarHBondContact O-CG1 3.25Å; S136-I140 PolarHBondContact O-N 3.3Å; S136-I140 VanDerWaalsContact O-N 3.1Å; I140-Q142 PolarHBondContact O-N 3.34Å; I140-R143 PolarHBondContact O-N 3.38Å; I140-Y144 HydrophobicContact CG2-CD2 3.74Å; I140-Y144 HydrophobicContact CG2-CE2 4.02Å; I140-Y144 VanDerWaalsContact O-CD2 3.29Å; I140-Y144 WeakPolarHBondContact O-CD2 3.22Å; I140-Y144 PolarHBondContact O-N 3.21Å; I140-V151 HydrophobicContact CB-CG1 4.29Å; I140-V151 HydrophobicContact CB-CG2 4.31Å; I140-V151 HydrophobicContact CD1-CG1 4.48Å; I140-V151 HydrophobicContact CG2-CG1 4Å; I140-V151 HydrophobicContact CG2-CG2 3.83Å
141A97Very high95.8Very high7 Ų760.1 Ų60.16%0.05829%0.289CS..Hα-helixtrans-60-45.5179.500000111.8M137 K138 D139 Y144 L145 V146 A148 V151M137-A141 VanDerWaalsContact O-CB 3.22Å; M137-A141 WeakPolarHBondContact O-CB 3.42Å; M137-A141 PolarHBondContact O-N 3.38Å; K138-A141 WeakPolarHBondContact O-CB 3.38Å; K138-A141 PolarHBondContact O-N 3.33Å; D139-A141 VanDerWaalsContact C-N 3.33Å; D139-A141 PolarHBondContact O-N 2.92Å; A141-Y144 PolarHBondContact O-N 3.23Å; A141-L145 PolarHBondContact O-N 3.43Å; A141-V146 CarbonylContact C-O 3.55Å; A141-V146 HydrophobicContact CB-CG2 4.41Å; A141-V146 WeakPolarHBondContact CB-O 3.2Å; A141-V146 PolarHBondContact O-N 2.97Å; A141-A148 HydrophobicContact CB-CB 4.33Å; A141-V151 HydrophobicContact CB-CG2 3.85Å
142Q95.4Very high95.7Very high143 Ų14361.6 Ų61.667%0.66830%0.295SS*.Hα-helixtrans-62.3-47175.8-178.6176-7.300111.9K138 D139 I140 Y144 L145K138-Q142 WeakPolarHBondContact O-CB 3.38Å; K138-Q142 PolarHBondContact O-N 3.28Å; D139-Q142 PolarHBondContact O-N 3.07Å; I140-Q142 PolarHBondContact O-N 3.34Å; Q142-Y144 VanDerWaalsContact C-N 3.28Å; Q142-Y144 PolarHBondContact O-N 3.42Å; Q142-L145 PolarHBondContact O-N 2.87Å
143R95.5Very high95.7Very high160 Ų16065.9 Ų65.960%0.60431%0.31SS*.Hα-helixtrans-57.1-41.6179.7-178.8-179.5-174.7121.96.4112.5D130 D139 I140D130-R143 WeakPolarHBondContact OD2-CD 3.49Å; D130-R143 IonicContact OD2-NE 3.01Å; D139-R143 WeakPolarHBondContact O-CB 3.45Å; D139-R143 PolarHBondContact O-N 3.29Å; I140-R143 PolarHBondContact O-N 3.38Å
144Y96Very high95.7Very high22 Ų2261.3 Ų61.39%0.08629%0.29CS..THydrogen-bonded Turntrans-98.36.4-175.8-67.5-59.6000113.8Q79 L81 L123 A126 I127 D130 I140 A141 Q142 V146Q79-Y144 PolarHBondContact NE2-O 3.03Å; L81-Y144 HydrophobicContact CD2-CD1 4.01Å; L81-Y144 HydrophobicContact CD2-CE1 3.76Å; L123-Y144 HydrophobicContact CD1-CD1 3.79Å; L123-Y144 HydrophobicContact CD1-CG 4.08Å; A126-Y144 HydrophobicContact CB-CE1 3.81Å; A126-Y144 PolarHBondContact O-OH 3.18Å; I127-Y144 HydrophobicContact CG1-CD2 3.53Å; I127-Y144 HydrophobicContact CG1-CE2 4.06Å; I127-Y144 HydrophobicContact CG1-CG 3.97Å; D130-Y144 HydrophobicContact CB-CE2 4.08Å; D130-Y144 WeakPolarHBondContact OD2-CE2 3.35Å; D130-Y144 PolarHBondContact OD2-OH 3.2Å; I140-Y144 HydrophobicContact CG2-CD2 3.74Å; I140-Y144 HydrophobicContact CG2-CE2 4.02Å; I140-Y144 VanDerWaalsContact O-CD2 3.29Å; I140-Y144 WeakPolarHBondContact O-CD2 3.22Å; I140-Y144 PolarHBondContact O-N 3.21Å; A141-Y144 PolarHBondContact O-N 3.23Å; Q142-Y144 VanDerWaalsContact C-N 3.28Å; Q142-Y144 PolarHBondContact O-N 3.42Å; Y144-V146 VanDerWaalsContact C-N 3.28Å; Y144-V146 PolarHBondContact O-N 3.02Å
145L93.3Very high95.8Very high53 Ų5354.5 Ų54.528%0.27726%0.261SS..THydrogen-bonded Turntrans5542.7179.3-51.1173.7000112.3Q79 P82 S87 A141 Q142Q79-L145 PolarHBondContact NE2-O 2.81Å; P82-L145 HydrophobicContact CB-CD1 4.33Å; P82-L145 HydrophobicContact CG-CD1 4.1Å; P82-L145 HydrophobicContact CG-CG 4.24Å; S87-L145 WeakPolarHBondContact OG-CD1 3.2Å; A141-L145 PolarHBondContact O-N 3.43Å; Q142-L145 PolarHBondContact O-N 2.87Å
146V94.8Very high95.8Very high22 Ų2254.7 Ų54.713%0.13326%0.262CS..  trans-123.4170.9176.7-63.10000110.7L119 L123 I127 A141 Y144 T150 V151L119-V146 HydrophobicContact CD2-CG1 4.25Å; L123-V146 HydrophobicContact CD2-CG1 4.43Å; I127-V146 HydrophobicContact CD1-CG2 4.11Å; A141-V146 CarbonylContact C-O 3.55Å; A141-V146 HydrophobicContact CB-CG2 4.41Å; A141-V146 WeakPolarHBondContact CB-O 3.2Å; A141-V146 PolarHBondContact O-N 2.97Å; Y144-V146 VanDerWaalsContact C-N 3.28Å; Y144-V146 PolarHBondContact O-N 3.02Å; V146-T150 HydrophobicContact CB-CG2 3.97Å; V146-T150 HydrophobicContact CG1-CG2 4.23Å; V146-T150 HydrophobicContact CG2-CG2 4.2Å; V146-V151 HydrophobicContact CG2-CG2 3.92Å
147S95.5Very high95.7Very high61 Ų6158.1 Ų58.143%0.42729%0.286SS..  trans-75.4152.1172.479.20000111.4K149 T150 V151S147-K149 PolarHBondContact O-N 3.42Å; S147-K149 PolarHBondContact OG-N 3.12Å; S147-T150 WeakPolarHBondContact O-CA 3.47Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 2.89Å; S147-T150 PolarHBondContact OG-N 3.38Å; S147-T150 PolarHBondContact OG-OG1 3.33Å; S147-V151 PolarHBondContact O-N 3.06Å
148A95.3Very high95.6Very high44 Ų4457.5 Ų57.536%0.36428%0.283SS..Hα-helixtrans-57.7-30.6170.100000111.9A141 T150 V151 E152A141-A148 HydrophobicContact CB-CB 4.33Å; A148-T150 VanDerWaalsContact C-N 3.3Å; A148-T150 PolarHBondContact O-N 2.92Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 3.32Å; A148-E152 PolarHBondContact O-N 3.03Å
149K95.5Very high95.6Very high105 Ų10550.5 Ų50.546%0.45725%0.253SS..Hα-helixtrans-66.9-32.8175.1-169.660.4-177172.70112.4S147 V151 E152 R153S147-K149 PolarHBondContact O-N 3.42Å; S147-K149 PolarHBondContact OG-N 3.12Å; K149-V151 VanDerWaalsContact C-N 3.34Å; K149-E152 HydrophobicContact CD-CB 4.48Å; K149-E152 WeakPolarHBondContact CD-OE2 3.49Å; K149-E152 IonicContact NZ-OE2 2.69Å; K149-E152 PolarHBondContact NZ-OE2 3.33Å; K149-E152 PolarHBondContact O-N 2.92Å; K149-R153 WeakPolarHBondContact O-CG 3.45Å; K149-R153 PolarHBondContact O-N 2.85Å
150T96.6Very high95.4Very high23 Ų2351.1 Ų51.114%0.14125%0.253CS..Hα-helixtrans-62.9-43.4171.9-56.70000110.6L119 V146 S147 A148 E152 R153 V154L119-T150 HydrophobicContact CD1-CG2 3.33Å; V146-T150 HydrophobicContact CB-CG2 3.97Å; V146-T150 HydrophobicContact CG1-CG2 4.23Å; V146-T150 HydrophobicContact CG2-CG2 4.2Å; S147-T150 WeakPolarHBondContact O-CA 3.47Å; S147-T150 WeakPolarHBondContact O-CB 3.41Å; S147-T150 PolarHBondContact O-N 2.89Å; S147-T150 PolarHBondContact OG-N 3.38Å; S147-T150 PolarHBondContact OG-OG1 3.33Å; A148-T150 VanDerWaalsContact C-N 3.3Å; A148-T150 PolarHBondContact O-N 2.92Å; T150-E152 PolarHBondContact O-N 2.78Å; T150-R153 PolarHBondContact O-N 3.04Å; T150-V154 WeakPolarHBondContact O-CG2 2.97Å; T150-V154 PolarHBondContact O-N 3.47Å
151V97.5Very high95.1Very high0 Ų053.8 Ų53.80%027%0.265CS..Hα-helixtrans-63.1-40.9176.71780000111.5I127 L131 M137 I140 A141 V146 S147 A148 K149 V154 L155I127-V151 HydrophobicContact CG2-CB 4.47Å; I127-V151 HydrophobicContact CG2-CG1 4.13Å; I127-V151 HydrophobicContact CG2-CG2 4.29Å; L131-V151 HydrophobicContact CD2-CG1 3.58Å; L131-V151 HydrophobicContact CG-CG1 4.36Å; M137-V151 HydrophobicContact CB-CB 4.46Å; M137-V151 HydrophobicContact CB-CG1 3.85Å; M137-V151 HydrophobicContact CG-CG1 3.86Å; I140-V151 HydrophobicContact CB-CG1 4.29Å; I140-V151 HydrophobicContact CB-CG2 4.31Å; I140-V151 HydrophobicContact CD1-CG1 4.48Å; I140-V151 HydrophobicContact CG2-CG1 4Å; I140-V151 HydrophobicContact CG2-CG2 3.83Å; A141-V151 HydrophobicContact CB-CG2 3.85Å; V146-V151 HydrophobicContact CG2-CG2 3.92Å; S147-V151 PolarHBondContact O-N 3.06Å; A148-V151 WeakPolarHBondContact O-CB 3.43Å; A148-V151 PolarHBondContact O-N 3.32Å; K149-V151 VanDerWaalsContact C-N 3.34Å; V151-V154 PolarHBondContact O-N 3.09Å; V151-L155 PolarHBondContact O-N 2.79Å
152E95.8Very high94.7Very high31 Ų3155.9 Ų55.915%0.14528%0.278CS..Hα-helixtrans-59.8-44.2171.7-70.4-178.7179.500112M137 A148 K149 T150 V154 L155 D156 H423M137-E152 HydrophobicContact SD-CG 4.1Å; A148-E152 PolarHBondContact O-N 3.03Å; K149-E152 HydrophobicContact CD-CB 4.48Å; K149-E152 WeakPolarHBondContact CD-OE2 3.49Å; K149-E152 IonicContact NZ-OE2 2.69Å; K149-E152 PolarHBondContact NZ-OE2 3.33Å; K149-E152 PolarHBondContact O-N 2.92Å; T150-E152 PolarHBondContact O-N 2.78Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.24Å; E152-L155 PolarHBondContact O-N 3.33Å; E152-L155 VanDerWaalsContact O-N 3.11Å; E152-D156 PolarHBondContact O-N 2.85Å; E152-H423 IonicContact OE1-ND1 3.34Å; E152-H423 IonicContact OE2-CE1 3.56Å; E152-H423 PolarHBondContact OE2-CE1 3.4Å
153R95.3Very high94.4Very high159 Ų15958.9 Ų58.960%0.628%0.283SS*.Hα-helixtrans-61.7-38.6177.5-69.6174.7-165.5165.13.5112.2K149 T150 D156 S157K149-R153 WeakPolarHBondContact O-CG 3.45Å; K149-R153 PolarHBondContact O-N 2.85Å; T150-R153 PolarHBondContact O-N 3.04Å; R153-D156 PolarHBondContact O-N 3.18Å; R153-S157 WeakPolarHBondContact O-CB 3.3Å; R153-S157 PolarHBondContact O-N 3.05Å; R153-S157 PolarHBondContact O-OG 3.3Å
154V96.1Very high94.3Very high4 Ų454 Ų542%0.02427%0.269CS..Hα-helixtrans-66.3-40.7174.2176.30000110.8K124 I127 A128 L131 T150 V151 E152 D156 S157 F158K124-V154 HydrophobicContact CB-CG2 4.35Å; K124-V154 HydrophobicContact CG-CG2 4.2Å; I127-V154 HydrophobicContact CB-CG1 4.13Å; I127-V154 HydrophobicContact CD1-CG2 4.32Å; I127-V154 HydrophobicContact CG2-CB 3.82Å; I127-V154 HydrophobicContact CG2-CG1 3.69Å; I127-V154 HydrophobicContact CG2-CG2 4.11Å; A128-V154 HydrophobicContact CB-CG1 4.24Å; L131-V154 HydrophobicContact CD1-CG1 4.18Å; T150-V154 WeakPolarHBondContact O-CG2 2.97Å; T150-V154 PolarHBondContact O-N 3.47Å; V151-V154 PolarHBondContact O-N 3.09Å; E152-V154 VanDerWaalsContact C-N 3.3Å; E152-V154 PolarHBondContact O-N 3Å; V154-D156 VanDerWaalsContact C-N 3.26Å; V154-D156 PolarHBondContact O-N 3.07Å; V154-S157 PolarHBondContact O-N 2.68Å; V154-F158 HydrophobicContact CG1-CB 3.76Å; V154-F158 HydrophobicContact CG1-CG 4.12Å; V154-F158 WeakPolarHBondContact O-CB 3.37Å; V154-F158 PolarHBondContact O-N 3Å
155L96.3Very high94.2Very high0 Ų059.9 Ų59.90%030%0.295CS..Hα-helixtrans-55.9-43.1173.1-176.786.8000111.7L131 M137 V151 E152 H423 M426 I430L131-L155 HydrophobicContact CD1-CB 4.06Å; L131-L155 HydrophobicContact CD1-CD1 4.16Å; L131-L155 HydrophobicContact CD2-CD1 4.18Å; M137-L155 HydrophobicContact CE-CD1 4.07Å; M137-L155 HydrophobicContact CE-CD2 3.6Å; M137-L155 HydrophobicContact CE-CG 4.31Å; V151-L155 PolarHBondContact O-N 2.79Å; E152-L155 VanDerWaalsContact O-CB 3.26Å; E152-L155 WeakPolarHBondContact O-CB 3.24Å; E152-L155 PolarHBondContact O-N 3.33Å; E152-L155 VanDerWaalsContact O-N 3.11Å; L155-H423 HydrophobicContact CD2-CB 4.04Å; L155-M426 HydrophobicContact CD1-CB 4.23Å; L155-M426 HydrophobicContact CD2-CB 3.98Å; L155-M426 HydrophobicContact CG-CB 4.06Å; L155-I430 HydrophobicContact CD1-CD1 3.38Å; L155-I430 HydrophobicContact CG-CD1 4.33Å
156D94.3Very high94.3Very high55 Ų5561 Ų6129%0.29431%0.306SS..Hα-helixtrans-74.8-32.6-176.6-75.4-40.4000113.8E152 R153 V154 R422 H423E152-D156 PolarHBondContact O-N 2.85Å; R153-D156 PolarHBondContact O-N 3.18Å; V154-D156 VanDerWaalsContact C-N 3.26Å; V154-D156 PolarHBondContact O-N 3.07Å; D156-R422 IonicContact OD1-NE 2.84Å; D156-R422 PolarHBondContact OD1-NE 2.7Å; D156-R422 IonicContact OD1-NH2 3.16Å; D156-H423 IonicContact OD1-CD2 2.8Å; D156-H423 IonicContact OD1-NE2 3.52Å; D156-H423 IonicContact OD2-NE2 3.59Å
157S93Very high94.4Very high75 Ų7565 Ų6552%0.52433%0.326SS..Hα-helixtrans-112-8.1-168.282.60000115.3R153 V154R153-S157 WeakPolarHBondContact O-CB 3.3Å; R153-S157 PolarHBondContact O-N 3.05Å; R153-S157 PolarHBondContact O-OG 3.3Å; V154-S157 PolarHBondContact O-N 2.68Å
158F93.7Very high94.5Very high10 Ų1068 Ų684%0.04433%0.329CS..SBendtrans-11610.4-168.2-137.2-96.6000113.1K124 F125 A128 V154 I437 I438K124-F158 HydrophobicContact CB-CD2 4.05Å; K124-F158 HydrophobicContact CB-CE2 3.5Å; K124-F158 HydrophobicContact CB-CZ 3.75Å; K124-F158 HydrophobicContact CD-CD2 4.3Å; K124-F158 HydrophobicContact CD-CE2 3.88Å; K124-F158 HydrophobicContact CG-CE2 4.37Å; F125-F158 HydrophobicContact CB-CE1 4.05Å; F125-F158 HydrophobicContact CB-CZ 4.28Å; F125-F158 HydrophobicContact CD2-CE1 4.2Å; A128-F158 HydrophobicContact CB-CD1 3.58Å; A128-F158 HydrophobicContact CB-CE1 4.2Å; A128-F158 HydrophobicContact CB-CG 4.41Å; V154-F158 HydrophobicContact CG1-CB 3.76Å; V154-F158 HydrophobicContact CG1-CG 4.12Å; V154-F158 WeakPolarHBondContact O-CB 3.37Å; V154-F158 PolarHBondContact O-N 3Å; F158-I437 HydrophobicContact CD1-CG2 3.73Å; F158-I437 HydrophobicContact CE1-CG2 3.8Å; F158-I437 WeakPolarHBondContact O-CA 3.05Å; F158-I438 PolarHBondContact O-N 2.79Å
159F95.7Very high94.7Very high9 Ų965.9 Ų65.94%0.03931%0.312CS..EExtended strand (participates in β ladder)trans-131.2134.8178-69.5-85.9000110.5A128 L131 M426 I430 C435 D436 I437A128-F159 HydrophobicContact CB-CE2 4.01Å; A128-F159 HydrophobicContact CB-CZ 3.83Å; A128-F159 WeakPolarHBondContact O-CZ 3.33Å; L131-F159 HydrophobicContact CB-CE2 4.27Å; L131-F159 HydrophobicContact CB-CZ 4.08Å; L131-F159 HydrophobicContact CD1-CE2 3.76Å; L131-F159 HydrophobicContact CD1-CZ 4.36Å; F159-M426 HydrophobicContact CB-CE 3.96Å; F159-I430 HydrophobicContact CB-CD1 4.32Å; F159-I430 HydrophobicContact CD1-CD1 3.83Å; F159-I430 HydrophobicContact CD1-CG1 3.66Å; F159-I430 HydrophobicContact CD1-CG2 4.36Å; F159-I430 HydrophobicContact CD2-CD1 3.52Å; F159-I430 HydrophobicContact CD2-CG1 4.3Å; F159-I430 HydrophobicContact CE1-CB 4.35Å; F159-I430 HydrophobicContact CE1-CD1 3.9Å; F159-I430 HydrophobicContact CE1-CG1 3.78Å; F159-I430 HydrophobicContact CE1-CG2 3.63Å; F159-I430 HydrophobicContact CE2-CD1 3.64Å; F159-I430 HydrophobicContact CE2-CG1 4.43Å; F159-I430 HydrophobicContact CG-CD1 3.61Å; F159-I430 HydrophobicContact CG-CG1 3.9Å; F159-I430 HydrophobicContact CZ-CD1 3.8Å; F159-I430 HydrophobicContact CZ-CG1 4.17Å; F159-I430 HydrophobicContact CZ-CG2 3.79Å; F159-C435 HydrophobicContact CB-CB 4.2Å; F159-C435 HydrophobicContact CD1-CB 4.05Å; F159-D436 CarbonylContact C-O 3.58Å; F159-D436 WeakPolarHBondContact CA-O 3.38Å; F159-I437 HydrophobicContact CD1-CG1 4.01Å; F159-I437 HydrophobicContact CE1-CD1 4.32Å; F159-I437 HydrophobicContact CE1-CG1 3.54Å; F159-I437 HydrophobicContact CZ-CG1 4.16Å
160E93.4Very high94.8Very high91 Ų9161 Ų6143%0.42529%0.29SS..EExtended strand (participates in β ladder)trans-84.2123.8166.6-172.2164.9-161.200109.7R163 C435 D436 I438E160-R163 IonicContact OE1-CZ 3.27Å; E160-R163 IonicContact OE1-NE 2.76Å; E160-R163 PolarHBondContact OE1-NE 3.01Å; E160-R163 IonicContact OE1-NH2 3.52Å; E160-R163 PolarHBondContact OE1-NH2 3.02Å; E160-C435 WeakPolarHBondContact O-CA 3.25Å; E160-C435 WeakPolarHBondContact O-CB 3.18Å; E160-D436 PolarHBondContact N-O 3.1Å; E160-I438 HydrophobicContact CB-CG1 4.26Å
161E90.4Very high94.8Very high56 Ų5664.7 Ų64.726%0.26231%0.305SS..PPolyproline II helixtrans-74.8141.3175.1-66.5-168.1-133.200110.7R163 R422 R425 M426E161-R163 PolarHBondContact O-N 3.49Å; E161-R422 IonicContact OE1-CZ 3.2Å; E161-R422 IonicContact OE1-NH1 3.93Å; E161-R422 PolarHBondContact OE1-NH1 3.34Å; E161-R422 IonicContact OE1-NH2 2.67Å; E161-R422 PolarHBondContact OE1-NH2 2.83Å; E161-R425 IonicContact OE2-CZ 3.48Å; E161-R425 IonicContact OE2-NH1 2.69Å; E161-R425 PolarHBondContact OE2-NH1 3.48Å; E161-M426 HydrophobicContact CG-CE 3.77Å; E161-M426 HydrophobicContact CG-SD 3.44Å; E161-M426 WeakPolarHBondContact CG-SD 3.44Å
162P89.2Confident94.9Very high51 Ų5165.4 Ų65.433%0.33131%0.308SS..PPolyproline II helixtrans-63.3124.8179.425.5-33.2000110.5L429 L434P162-L429 HydrophobicContact CG-CD1 4.26Å; P162-L434 WeakPolarHBondContact CD-O 3.26Å
163R89.4Confident95Very high205 Ų20564 Ų6477%0.77430%0.301SS*.  trans-86.7112.6174.6-60.5-175.9-158.1-1729.4109.8E160 E161 K165E160-R163 IonicContact OE1-CZ 3.27Å; E160-R163 IonicContact OE1-NE 2.76Å; E160-R163 PolarHBondContact OE1-NE 3.01Å; E160-R163 IonicContact OE1-NH2 3.52Å; E160-R163 PolarHBondContact OE1-NH2 3.02Å; E161-R163 PolarHBondContact O-N 3.49Å; R163-K165 PolarHBondContact O-N 3.38Å
164L92.8Very high95.1Very high58 Ų5856.5 Ų56.530%0.30427%0.273SS..  trans-71.1125.9175.2-62.6-178.5000110.3P166 F201 D202 Y215 F219L164-P166 WeakPolarHBondContact O-CD 3.45Å; L164-F201 HydrophobicContact CD1-CE1 3.95Å; L164-F201 HydrophobicContact CD1-CZ 4.3Å; L164-F201 HydrophobicContact CD2-CD2 4.43Å; L164-F201 HydrophobicContact CD2-CE1 4.12Å; L164-F201 HydrophobicContact CD2-CE2 3.98Å; L164-F201 HydrophobicContact CD2-CZ 3.82Å; L164-D202 HydrophobicContact CD1-CB 3.99Å; L164-D202 VanDerWaalsContact CD1-OD2 3.24Å; L164-D202 WeakPolarHBondContact CD1-OD2 3.33Å; L164-Y215 WeakPolarHBondContact CD1-OH 3.3Å; L164-F219 HydrophobicContact CB-CE1 4.46Å; L164-F219 HydrophobicContact CB-CZ 4.44Å; L164-F219 HydrophobicContact CD1-CZ 4.13Å
165K94.2Very high95.2Very high146 Ų14656.4 Ų56.464%0.63527%0.273SS*.  trans-77.8122.8175.7-60.3-177.4179.6179.20109.1R163 N167 Y168R163-K165 PolarHBondContact O-N 3.38Å; K165-N167 WeakPolarHBondContact CB-OD1 3.2Å; K165-N167 PolarHBondContact O-N 2.89Å; K165-Y168 PolarHBondContact O-N 2.93Å
166P95.6Very high95.2Very high77 Ų7757.4 Ų57.450%0.528%0.278SS..THydrogen-bonded Turntrans-58.7-22.9-178.5-27.535.9000114.3L164 F219 T220L164-P166 WeakPolarHBondContact O-CD 3.45Å; P166-F219 CarbonylContact O-C 3.58Å; P166-F219 WeakPolarHBondContact O-CA 3.48Å; P166-F219 WeakPolarHBondContact O-CB 3.41Å; P166-T220 PolarHBondContact O-N 3.22Å
167N97.2Very high95.2Very high105 Ų10556.6 Ų56.656%0.56127%0.272SS*.THydrogen-bonded Turntrans-90.37.2179.966-15.5000114.2K165 T220K165-N167 WeakPolarHBondContact CB-OD1 3.2Å; K165-N167 PolarHBondContact O-N 2.89Å; N167-T220 HydrophobicContact CB-CG2 4.26Å
168Y97.6Very high95.3Very high123 Ų12353.8 Ų53.848%0.48225%0.251SS..  trans-132.1130.4-177.4177.1-99.4000112.7K165 F201 F219K165-Y168 PolarHBondContact O-N 2.93Å; Y168-F201 HydrophobicContact CD1-CE2 4.05Å; Y168-F201 HydrophobicContact CE1-CE2 4.06Å; Y168-F219 WeakPolarHBondContact O-CD1 3.45Å; Y168-F219 WeakPolarHBondContact O-CE1 3.49Å
169L98.1Very high95.3Very high1 Ų160.6 Ų60.61%0.00528%0.28CS..  trans-137.5145.3165.9-79.6164.3000108.4F201 F219 A223 R224 V227 F246L169-F201 HydrophobicContact CD2-CE1 3.73Å; L169-F201 HydrophobicContact CD2-CZ 3.77Å; L169-F219 HydrophobicContact CD1-CB 3.93Å; L169-F219 HydrophobicContact CD1-CD1 4.23Å; L169-F219 HydrophobicContact CD1-CD2 4.34Å; L169-F219 HydrophobicContact CD1-CG 3.91Å; L169-F219 HydrophobicContact CD2-CD1 4.03Å; L169-F219 HydrophobicContact CD2-CD2 4.25Å; L169-F219 HydrophobicContact CD2-CE1 3.93Å; L169-F219 HydrophobicContact CD2-CE2 4.15Å; L169-F219 HydrophobicContact CD2-CG 4.19Å; L169-F219 HydrophobicContact CD2-CZ 3.99Å; L169-F219 HydrophobicContact CG-CB 4.4Å; L169-F219 HydrophobicContact CG-CD1 3.78Å; L169-F219 HydrophobicContact CG-CD2 4.47Å; L169-F219 HydrophobicContact CG-CE1 4.14Å; L169-F219 HydrophobicContact CG-CG 3.96Å; L169-A223 HydrophobicContact CD1-CB 4.36Å; L169-R224 HydrophobicContact CD1-CG 3.99Å; L169-V227 HydrophobicContact CB-CG2 3.78Å; L169-V227 HydrophobicContact CD1-CG2 4.03Å; L169-F246 HydrophobicContact CD1-CE1 3.83Å
170P97.9Very high95.1Very high1 Ų160.5 Ų60.51%0.00628%0.282CS..  trans-56.2140.5172.2-24.232.1000111.9H172 L173 D194 F201P170-H172 PolarHBondContact O-N 3.3Å; P170-L173 HydrophobicContact CB-CD2 3.84Å; P170-L173 HydrophobicContact CB-CG 4.44Å; P170-L173 HydrophobicContact CG-CD2 3.79Å; P170-D194 HydrophobicContact CB-CB 3.84Å; P170-D194 HydrophobicContact CG-CB 3.88Å; P170-F201 HydrophobicContact CG-CB 4.38Å; P170-F201 HydrophobicContact CG-CD2 3.63Å; P170-F201 HydrophobicContact CG-CE2 4.14Å; P170-F201 HydrophobicContact CG-CG 4.11Å
171K98.1Very high95.1Very high102 Ų10256.8 Ų56.844%0.44327%0.266SS..SBendtrans-64.9-29.9179.5-175.8179.4177.8-174.10112.7S228 H229K171-S228 WeakPolarHBondContact CG-OG 3.29Å; K171-S228 PolarHBondContact O-N 3.17Å; K171-S228 PolarHBondContact O-OG 3.35Å; K171-S228 VanDerWaalsContact O-OG 3.05Å; K171-H229 PolarHBondContact O-N 3.11Å
172H98.5Very high95Very high15 Ų1564.3 Ų64.37%0.06930%0.297CS..EExtended strand (participates in β ladder)trans-128.3115.9179.8-54.4-57.8000108.5P170 A195 D196 S228 H229 Y396P170-H172 PolarHBondContact O-N 3.3Å; H172-A195 HydrophobicContact CB-CB 3.68Å; H172-A195 WeakPolarHBondContact O-CB 3.5Å; H172-A195 PolarHBondContact O-N 2.95Å; H172-D196 IonicContact CD2-OD1 3.67Å; H172-D196 PolarHBondContact CD2-OD1 3.33Å; H172-D196 IonicContact CD2-OD2 2.86Å; H172-D196 PolarHBondContact CD2-OD2 3.48Å; H172-D196 VanDerWaalsContact CD2-OD2 3.29Å; H172-S228 PolarHBondContact CE1-OG 3.29Å; H172-S228 PolarHBondContact ND1-OG 2.66Å; H172-S228 VanDerWaalsContact ND1-OG 3.16Å; H172-H229 WeakPolarHBondContact CA-O 3.1Å; H172-Y396 HydrophobicContact CB-CD1 4.21Å; H172-Y396 HydrophobicContact CB-CE1 3.84Å; H172-Y396 AromaticContact CD2-CE1 3.74Å; H172-Y396 AromaticContact CD2-CZ 3.66Å; H172-Y396 PolarHBondContact CD2-OH 3.05Å; H172-Y396 VanDerWaalsContact CD2-OH 3.24Å; H172-Y396 AromaticContact CE1-CZ 3.6Å; H172-Y396 PolarHBondContact CE1-OH 3.4Å; H172-Y396 AromaticContact CG-CE1 3.58Å; H172-Y396 AromaticContact CG-CZ 3.53Å; H172-Y396 AromaticContact ND1-CE2 3.87Å; H172-Y396 AromaticContact ND1-CZ 3.5Å; H172-Y396 PolarHBondContact ND1-OH 3.4Å; H172-Y396 AromaticContact NE2-CZ 3.75Å; H172-Y396 PolarHBondContact NE2-OH 2.76Å
173L98.3Very high95.1Very high1 Ų165.5 Ų65.51%0.00530%0.301CS..EExtended strand (participates in β ladder)trans-107.8140.5-176.4-74172.7000110.9P170 L192 V227 H229 V230 V231 F246P170-L173 HydrophobicContact CB-CD2 3.84Å; P170-L173 HydrophobicContact CB-CG 4.44Å; P170-L173 HydrophobicContact CG-CD2 3.79Å; L173-L192 HydrophobicContact CD2-CD1 4.13Å; L173-V227 HydrophobicContact CD1-CG1 3.82Å; L173-V227 HydrophobicContact CD1-CG2 4.05Å; L173-V227 HydrophobicContact CG-CG1 4.26Å; L173-H229 PolarHBondContact N-O 3.47Å; L173-V230 HydrophobicContact CB-CG2 4.29Å; L173-V230 CarbonylContact O-C 3.54Å; L173-V230 WeakPolarHBondContact O-CA 3.39Å; L173-V231 PolarHBondContact O-N 2.88Å; L173-F246 HydrophobicContact CD1-CE1 4.34Å; L173-F246 HydrophobicContact CD1-CE2 3.89Å; L173-F246 HydrophobicContact CD1-CZ 3.68Å
174L98.2Very high95Very high1 Ų156.1 Ų56.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-106.5132.4162.3-48.1178.9000107.2L192 S193 A195 V231 S397 N398 K400 L401L174-L192 VanDerWaalsContact O-CA 3.26Å; L174-L192 WeakPolarHBondContact O-CA 3.47Å; L174-S193 WeakPolarHBondContact CB-OG 3.23Å; L174-S193 PolarHBondContact N-O 2.69Å; L174-S193 PolarHBondContact O-N 3.26Å; L174-A195 HydrophobicContact CD1-CB 4.32Å; L174-A195 HydrophobicContact CD2-CB 3.53Å; L174-A195 HydrophobicContact CG-CB 3.69Å; L174-V231 HydrophobicContact CD2-CB 3.67Å; L174-V231 HydrophobicContact CD2-CG1 4.5Å; L174-V231 HydrophobicContact CD2-CG2 3.63Å; L174-S397 VanDerWaalsContact CD2-O 3.29Å; L174-S397 WeakPolarHBondContact CD2-O 3.47Å; L174-N398 WeakPolarHBondContact CB-OD1 3.34Å; L174-K400 HydrophobicContact CD1-CB 3.99Å; L174-L401 HydrophobicContact CB-CB 4.04Å; L174-L401 HydrophobicContact CB-CD2 3.73Å; L174-L401 HydrophobicContact CD1-CB 4.03Å
175I97.3Very high94.4Very high3 Ų361.2 Ų61.22%0.01529%0.289CS..EExtended strand (participates in β ladder)trans-126.9139.3176.666172.8000110.4F190 I191 L192 V230 V231 M232 Y238 T242 N398I175-F190 HydrophobicContact CB-CE2 3.88Å; I175-F190 HydrophobicContact CB-CZ 3.69Å; I175-F190 HydrophobicContact CD1-CE2 4.3Å; I175-F190 HydrophobicContact CD1-CZ 4.34Å; I175-F190 HydrophobicContact CG2-CE1 4.43Å; I175-F190 HydrophobicContact CG2-CE2 4.35Å; I175-F190 HydrophobicContact CG2-CZ 3.65Å; I175-I191 WeakPolarHBondContact CA-O 3.45Å; I175-L192 HydrophobicContact CG2-CB 4.02Å; I175-V230 HydrophobicContact CD1-CG1 3.83Å; I175-V230 HydrophobicContact CG1-CG1 3.96Å; I175-V230 HydrophobicContact CG2-CG1 4.28Å; I175-V231 WeakPolarHBondContact CG1-O 3.14Å; I175-V231 PolarHBondContact N-O 2.88Å; I175-M232 HydrophobicContact CD1-CB 3.6Å; I175-M232 HydrophobicContact CD1-CG 4.46Å; I175-M232 HydrophobicContact CD1-SD 4.07Å; I175-M232 HydrophobicContact CG1-CB 3.36Å; I175-Y238 HydrophobicContact CD1-CD2 4.39Å; I175-Y238 HydrophobicContact CD1-CG 4.17Å; I175-T242 HydrophobicContact CD1-CG2 3.93Å; I175-N398 PolarHBondContact O-ND2 2.93Å; I175-N398 VanDerWaalsContact O-ND2 3.12Å
176D96Very high93.5Very high21 Ų2155.3 Ų55.311%0.11227%0.27CS..EExtended strand (participates in β ladder)trans-158.9-171.2179.8-163.71000109.1I191 L401 N405D176-I191 HydrophobicContact CB-CG2 4.1Å; D176-I191 PolarHBondContact N-O 2.66Å; D176-I191 WeakPolarHBondContact O-CG2 3.26Å; D176-I191 PolarHBondContact O-N 2.69Å; D176-L401 HydrophobicContact CB-CD2 3.42Å; D176-L401 VanDerWaalsContact CB-CD2 3.42Å; D176-L401 HydrophobicContact CB-CG 3.91Å; D176-N405 PolarHBondContact OD2-ND2 2.95Å
177E95.1Very high93Very high38 Ų3854.4 Ų54.418%0.17827%0.269CS..EExtended strand (participates in β ladder)trans-142.6152.8-174.260.3-151.1-140.100111.8M188 C189 R207 Y238 N405E177-M188 HydrophobicContact CB-CE 3.92Å; E177-M188 HydrophobicContact CG-CE 3.69Å; E177-C189 VanDerWaalsContact CA-O 3.24Å; E177-C189 WeakPolarHBondContact CA-O 3.46Å; E177-R207 IonicContact OE1-CZ 2.97Å; E177-R207 IonicContact OE1-NH1 2.92Å; E177-R207 PolarHBondContact OE1-NH1 2.96Å; E177-R207 IonicContact OE2-CZ 2.81Å; E177-R207 IonicContact OE2-NH1 3.02Å; E177-R207 PolarHBondContact OE2-NH1 2.73Å; E177-Y238 WeakPolarHBondContact OE2-CE2 3.45Å; E177-Y238 VanDerWaalsContact OE2-CZ 3.23Å; E177-Y238 PolarHBondContact OE2-OH 3.38Å; E177-N405 PolarHBondContact O-ND2 3.11Å
178F95.1Very high92.8Very high15 Ų1551.5 Ų51.57%0.06625%0.252CS..EExtended strand (participates in β ladder)trans-144.3157169.764.3-93.9000110.7G180 M188 C189 I191 I203 I408 L424 I428F178-G180 PolarHBondContact O-N 2.77Å; F178-M188 CarbonylContact O-C 3.59Å; F178-M188 WeakPolarHBondContact O-CA 3.29Å; F178-C189 HydrophobicContact CD1-CB 4.29Å; F178-C189 HydrophobicContact CD2-CB 4.09Å; F178-C189 HydrophobicContact CE1-CB 3.84Å; F178-C189 HydrophobicContact CE2-CB 3.6Å; F178-C189 HydrophobicContact CG-CB 4.4Å; F178-C189 HydrophobicContact CZ-CB 3.47Å; F178-C189 VanDerWaalsContact CZ-CB 3.47Å; F178-C189 PolarHBondContact N-O 2.96Å; F178-C189 PolarHBondContact O-N 3.32Å; F178-I191 HydrophobicContact CD1-CB 4.18Å; F178-I191 HydrophobicContact CD1-CG2 4.03Å; F178-I191 HydrophobicContact CE1-CB 4.01Å; F178-I191 HydrophobicContact CE1-CD1 4.33Å; F178-I191 HydrophobicContact CE1-CG2 4.38Å; F178-I203 HydrophobicContact CE1-CG2 3.82Å; F178-I203 HydrophobicContact CZ-CG2 3.64Å; F178-I408 HydrophobicContact CD1-CD1 3.93Å; F178-I408 HydrophobicContact CD2-CG2 3.92Å; F178-I408 HydrophobicContact CE1-CD1 3.77Å; F178-I408 HydrophobicContact CE2-CG2 3.98Å; F178-I408 HydrophobicContact CG-CG2 4.29Å; F178-I408 HydrophobicContact CZ-CD1 4.24Å; F178-I408 HydrophobicContact CZ-CG2 4.37Å; F178-L424 HydrophobicContact CE2-CD2 4.08Å; F178-I428 HydrophobicContact CZ-CD1 4.13Å
179K93.6Very high92.7Very high154 Ų15445.6 Ų45.667%0.6723%0.229SC*.EExtended strand (participates in β ladder)trans-61.1124.5179.6-172.2173.5-177.4174.30110.7M188 K412K179-M188 VanDerWaalsContact CA-SD 3.57Å; K179-M188 HydrophobicContact CB-SD 4.1Å; K179-K412 PolarHBondContact O-NZ 2.81Å
180G92Very high92.6Very high7 Ų745.7 Ų45.77%0.07223%0.229CC..  trans-74.2-167.7178.300000113.9F178 A187 C189 K412F178-G180 PolarHBondContact O-N 2.77Å; G180-A187 PolarHBondContact N-O 3.47Å; G180-C189 WeakPolarHBondContact CA-SG 3.2Å; G180-K412 PolarHBondContact O-NZ 3.26Å
181T92.5Very high92.6Very high13 Ų1345.6 Ų45.68%0.0823%0.229CC..  trans-90173.1168.843.50000110.2D183 C184 F418 F421 L424T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 WeakPolarHBondContact CB-OD1 3.37Å; T181-D183 PolarHBondContact O-N 2.9Å; T181-D183 PolarHBondContact OG1-OD1 3.34Å; T181-C184 PolarHBondContact N-SG 3.32Å; T181-C184 WeakPolarHBondContact O-CB 3.4Å; T181-C184 PolarHBondContact O-N 3.23Å; T181-C184 PolarHBondContact OG1-SG 2.97Å; T181-C184 VanDerWaalsContact OG1-SG 3.37Å; T181-F418 HydrophobicContact CG2-CB 3.71Å; T181-F418 WeakPolarHBondContact CG2-O 3.34Å; T181-F421 VanDerWaalsContact OG1-CA 3.26Å; T181-F421 WeakPolarHBondContact OG1-CA 3.44Å; T181-F421 PolarHBondContact OG1-N 3.21Å; T181-L424 HydrophobicContact CG2-CB 4.21Å; T181-L424 HydrophobicContact CG2-CD2 3.89Å
182K88.2Confident92.6Very high214 Ų21440.8 Ų40.893%0.9321%0.208SC*.THydrogen-bonded Turntrans-67.5-26.2-173.9-69.5-171.8177.8-176.80113.5C184K182-C184 VanDerWaalsContact C-N 3.32Å
183D91.1Very high92.6Very high76 Ų7640 Ų4041%0.40621%0.205SC..THydrogen-bonded Turntrans-77-14.8176.461.2-41.7000113.3T181 Q185 T420 F421T181-D183 VanDerWaalsContact C-N 3.26Å; T181-D183 WeakPolarHBondContact CB-OD1 3.37Å; T181-D183 PolarHBondContact O-N 2.9Å; T181-D183 PolarHBondContact OG1-OD1 3.34Å; D183-Q185 PolarHBondContact O-N 3.18Å; D183-T420 WeakPolarHBondContact OD1-CA 3.47Å; D183-T420 VanDerWaalsContact OD2-CA 3.24Å; D183-T420 WeakPolarHBondContact OD2-CA 3.28Å; D183-F421 PolarHBondContact OD1-N 3.42Å; D183-F421 PolarHBondContact OD2-N 3.14Å
184C87.1Confident92.5Very high8 Ų840.9 Ų40.95%0.05421%0.209CC..  trans-70.1113.8174.1-60.10000110.5T181 K182 G186 A187T181-C184 PolarHBondContact N-SG 3.32Å; T181-C184 WeakPolarHBondContact O-CB 3.4Å; T181-C184 PolarHBondContact O-N 3.23Å; T181-C184 PolarHBondContact OG1-SG 2.97Å; T181-C184 VanDerWaalsContact OG1-SG 3.37Å; K182-C184 VanDerWaalsContact C-N 3.32Å; C184-G186 PolarHBondContact O-N 2.88Å; C184-G186 VanDerWaalsContact O-N 3.17Å; C184-A187 PolarHBondContact O-N 3.44Å; C184-A187 VanDerWaalsContact O-N 3.11Å
185Q79.9Confident92.5Very high164 Ų16441.2 Ų41.277%0.76621%0.212SC*.THydrogen-bonded Turntrans-54.7-36.7178.4-65.5-174.9-6.200113.4D183D183-Q185 PolarHBondContact O-N 3.18Å
186G76.3Confident92.5Very high23 Ų2345.1 Ų45.124%0.23723%0.233CC..THydrogen-bonded Turntrans-87.60.5-177.200000115.4C184 M188C184-G186 PolarHBondContact O-N 2.88Å; C184-G186 VanDerWaalsContact O-N 3.17Å; G186-M188 PolarHBondContact O-N 3.4Å
187A85.2Confident92.5Very high58 Ų5848 Ų4848%0.47925%0.251SS..SBendtrans56.6-13-172.800000116.8G180 C184G180-A187 PolarHBondContact N-O 3.47Å; C184-A187 PolarHBondContact O-N 3.44Å; C184-A187 VanDerWaalsContact O-N 3.11Å
188M93.4Very high92.5Very high43 Ų4346.5 Ų46.521%0.21225%0.246CC..EExtended strand (participates in β ladder)trans-128.8128.8-178.8-63.4-66.8-68.400109.1E177 F178 K179 G186 R207E177-M188 HydrophobicContact CB-CE 3.92Å; E177-M188 HydrophobicContact CG-CE 3.69Å; F178-M188 CarbonylContact O-C 3.59Å; F178-M188 WeakPolarHBondContact O-CA 3.29Å; K179-M188 VanDerWaalsContact CA-SD 3.57Å; K179-M188 HydrophobicContact CB-SD 4.1Å; G186-M188 PolarHBondContact O-N 3.4Å; M188-R207 HydrophobicContact CB-CG 4.19Å
189C95.5Very high92.6Very high0 Ų052 Ų520%027%0.27CS..EExtended strand (participates in β ladder)trans-85147.4170.7-61.50000109.6E177 F178 G180 I203 L204 F421E177-C189 VanDerWaalsContact CA-O 3.24Å; E177-C189 WeakPolarHBondContact CA-O 3.46Å; F178-C189 HydrophobicContact CD1-CB 4.29Å; F178-C189 HydrophobicContact CD2-CB 4.09Å; F178-C189 HydrophobicContact CE1-CB 3.84Å; F178-C189 HydrophobicContact CE2-CB 3.6Å; F178-C189 HydrophobicContact CG-CB 4.4Å; F178-C189 HydrophobicContact CZ-CB 3.47Å; F178-C189 VanDerWaalsContact CZ-CB 3.47Å; F178-C189 PolarHBondContact N-O 2.96Å; F178-C189 PolarHBondContact O-N 3.32Å; G180-C189 WeakPolarHBondContact CA-SG 3.2Å; C189-I203 HydrophobicContact CB-CG2 4.39Å; C189-L204 CarbonylContact C-O 3.59Å; C189-L204 WeakPolarHBondContact CA-O 3.36Å; C189-L204 WeakPolarHBondContact CB-O 3.41Å; C189-F421 HydrophobicContact CB-CE2 4.24Å; C189-F421 VanDerWaalsContact SG-CD2 3.53Å; C189-F421 WeakPolarHBondContact SG-CE2 3.16Å
190F96.3Very high92.8Very high2 Ų245 Ų451%0.00924%0.24CC..EExtended strand (participates in β ladder)trans-93.4138.3170.3-178-102.5000109.6I175 L192 I203 L204 R207 L212 F216 Y238I175-F190 HydrophobicContact CB-CE2 3.88Å; I175-F190 HydrophobicContact CB-CZ 3.69Å; I175-F190 HydrophobicContact CD1-CE2 4.3Å; I175-F190 HydrophobicContact CD1-CZ 4.34Å; I175-F190 HydrophobicContact CG2-CE1 4.43Å; I175-F190 HydrophobicContact CG2-CE2 4.35Å; I175-F190 HydrophobicContact CG2-CZ 3.65Å; F190-L192 HydrophobicContact CD1-CD2 4.06Å; F190-L192 HydrophobicContact CE1-CB 4.1Å; F190-L192 HydrophobicContact CE1-CD2 3.84Å; F190-L192 HydrophobicContact CE1-CG 4.43Å; F190-I203 CarbonylContact O-C 3.49Å; F190-I203 WeakPolarHBondContact O-CA 3.41Å; F190-L204 HydrophobicContact CB-CB 4.18Å; F190-L204 HydrophobicContact CD1-CD1 3.84Å; F190-L204 HydrophobicContact CD1-CG 4.2Å; F190-L204 PolarHBondContact N-O 3.27Å; F190-L204 PolarHBondContact O-N 3.16Å; F190-R207 HydrophobicContact CB-CB 4.05Å; F190-R207 HydrophobicContact CD2-CB 4.41Å; F190-L212 HydrophobicContact CB-CD2 3.99Å; F190-L212 HydrophobicContact CD1-CD2 3.73Å; F190-L212 HydrophobicContact CD2-CD1 3.95Å; F190-L212 HydrophobicContact CD2-CD2 3.98Å; F190-L212 HydrophobicContact CE1-CD2 4.1Å; F190-L212 HydrophobicContact CE2-CD1 3.89Å; F190-L212 HydrophobicContact CE2-CD2 4.35Å; F190-L212 HydrophobicContact CG-CD1 4.46Å; F190-L212 HydrophobicContact CG-CD2 3.64Å; F190-L212 HydrophobicContact CZ-CD1 4.35Å; F190-L212 HydrophobicContact CZ-CD2 4.39Å; F190-F216 HydrophobicContact CE1-CE2 4.24Å; F190-F216 AromaticContact CE1-CZ 3.93Å; F190-F216 HydrophobicContact CE1-CZ 3.93Å; F190-F216 HydrophobicContact CZ-CE2 4.37Å; F190-F216 HydrophobicContact CZ-CZ 4.26Å; F190-Y238 AromaticContact CD2-CE1 3.91Å; F190-Y238 HydrophobicContact CD2-CE1 3.91Å; F190-Y238 AromaticContact CD2-CZ 3.98Å; F190-Y238 HydrophobicContact CE2-CD1 4.33Å; F190-Y238 AromaticContact CE2-CE1 3.82Å; F190-Y238 HydrophobicContact CE2-CE1 3.82Å
191I97.5Very high93Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-128.4136.7175.6-175168.6000109.7I175 D176 F178 I200 I203 L401 I408I175-I191 WeakPolarHBondContact CA-O 3.45Å; D176-I191 HydrophobicContact CB-CG2 4.1Å; D176-I191 PolarHBondContact N-O 2.66Å; D176-I191 WeakPolarHBondContact O-CG2 3.26Å; D176-I191 PolarHBondContact O-N 2.69Å; F178-I191 HydrophobicContact CD1-CB 4.18Å; F178-I191 HydrophobicContact CD1-CG2 4.03Å; F178-I191 HydrophobicContact CE1-CB 4.01Å; F178-I191 HydrophobicContact CE1-CD1 4.33Å; F178-I191 HydrophobicContact CE1-CG2 4.38Å; I191-I200 HydrophobicContact CD1-CD1 3.94Å; I191-I200 HydrophobicContact CD1-CG1 4.16Å; I191-I200 HydrophobicContact CD1-CG2 4.43Å; I191-I200 HydrophobicContact CG1-CG2 4.34Å; I191-I203 HydrophobicContact CD1-CD1 4.4Å; I191-I203 HydrophobicContact CD1-CG1 4.25Å; I191-I203 HydrophobicContact CG1-CG1 4.09Å; I191-L401 HydrophobicContact CB-CD1 4.46Å; I191-L401 HydrophobicContact CD1-CD1 3.8Å; I191-L401 HydrophobicContact CG1-CD1 3.81Å; I191-L401 HydrophobicContact CG2-CD1 3.93Å; I191-L401 HydrophobicContact CG2-CD2 4.38Å; I191-L401 HydrophobicContact CG2-CG 4.4Å; I191-I408 HydrophobicContact CD1-CD1 3.69Å
192L97.4Very high93.3Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-129141.5171.167.4161.7000111.3L173 L174 I175 F190 F201 D202 Y215 F216L173-L192 HydrophobicContact CD2-CD1 4.13Å; L174-L192 VanDerWaalsContact O-CA 3.26Å; L174-L192 WeakPolarHBondContact O-CA 3.47Å; I175-L192 HydrophobicContact CG2-CB 4.02Å; F190-L192 HydrophobicContact CD1-CD2 4.06Å; F190-L192 HydrophobicContact CE1-CB 4.1Å; F190-L192 HydrophobicContact CE1-CD2 3.84Å; F190-L192 HydrophobicContact CE1-CG 4.43Å; L192-F201 HydrophobicContact CD1-CD1 3.56Å; L192-F201 HydrophobicContact CD1-CE1 4.21Å; L192-F201 HydrophobicContact CD1-CG 4.38Å; L192-F201 HydrophobicContact CD2-CD1 4.45Å; L192-F201 HydrophobicContact CG-CB 4.19Å; L192-F201 HydrophobicContact CG-CD1 3.9Å; L192-F201 PolarHBondContact O-N 3.16Å; L192-D202 HydrophobicContact CD2-CB 3.78Å; L192-D202 WeakPolarHBondContact CD2-O 3.38Å; L192-D202 PolarHBondContact N-O 2.67Å; L192-D202 PolarHBondContact O-N 2.89Å; L192-Y215 HydrophobicContact CD2-CE1 4.48Å; L192-F216 HydrophobicContact CD1-CE1 3.83Å; L192-F216 HydrophobicContact CD1-CZ 4.03Å
193S97.8Very high93.7Very high0 Ų035.9 Ų35.90%020%0.198CC..EExtended strand (participates in β ladder)trans-133.3153.6176.561.70000111.1L174 A195 K199L174-S193 WeakPolarHBondContact CB-OG 3.23Å; L174-S193 PolarHBondContact N-O 2.69Å; L174-S193 PolarHBondContact O-N 3.26Å; S193-A195 PolarHBondContact O-N 3.35Å; S193-K199 CarbonylContact C-O 3.54Å; S193-K199 VanDerWaalsContact CA-O 3.22Å; S193-K199 WeakPolarHBondContact CA-O 3.49Å; S193-K199 WeakPolarHBondContact CB-O 3.27Å
194D97.8Very high93.9Very high19 Ų1933.5 Ų33.510%0.10219%0.185CC..EExtended strand (participates in β ladder)trans-68.1123.3167171.810.4000109.6P170 D196 T197 G198 K199P170-D194 HydrophobicContact CB-CB 3.84Å; P170-D194 HydrophobicContact CG-CB 3.88Å; D194-D196 VanDerWaalsContact C-N 3.26Å; D194-D196 PolarHBondContact O-N 2.75Å; D194-D196 PolarHBondContact OD1-N 3.14Å; D194-T197 WeakPolarHBondContact CB-OG1 3.49Å; D194-T197 VanDerWaalsContact CG-OG1 3.28Å; D194-T197 WeakPolarHBondContact OD2-CB 3.34Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.5Å; D194-T197 PolarHBondContact OD2-N 3.35Å; D194-T197 PolarHBondContact OD2-OG1 3.28Å; D194-G198 WeakPolarHBondContact O-CA 3.33Å; D194-G198 PolarHBondContact O-N 3.3Å; D194-K199 PolarHBondContact N-O 3.2Å
195A97.7Very high94.3Very high8 Ų838.1 Ų38.17%0.06621%0.205CC..THydrogen-bonded Turntrans-66.9-27.5-178.300000112.8H172 L174 S193 Y396 K400H172-A195 HydrophobicContact CB-CB 3.68Å; H172-A195 WeakPolarHBondContact O-CB 3.5Å; H172-A195 PolarHBondContact O-N 2.95Å; L174-A195 HydrophobicContact CD1-CB 4.32Å; L174-A195 HydrophobicContact CD2-CB 3.53Å; L174-A195 HydrophobicContact CG-CB 3.69Å; S193-A195 PolarHBondContact O-N 3.35Å; A195-Y396 HydrophobicContact CB-CD1 3.95Å; A195-K400 PolarHBondContact O-NZ 3.49Å
196D97.4Very high94.9Very high85 Ų8530.8 Ų30.846%0.45517%0.172SC..THydrogen-bonded Turntrans-77.7-55.7-177.5-61.6-30.7000109.9H172 D194 K400H172-D196 IonicContact CD2-OD1 3.67Å; H172-D196 PolarHBondContact CD2-OD1 3.33Å; H172-D196 IonicContact CD2-OD2 2.86Å; H172-D196 PolarHBondContact CD2-OD2 3.48Å; H172-D196 VanDerWaalsContact CD2-OD2 3.29Å; D194-D196 VanDerWaalsContact C-N 3.26Å; D194-D196 PolarHBondContact O-N 2.75Å; D194-D196 PolarHBondContact OD1-N 3.14Å; D196-K400 PolarHBondContact O-NZ 3.43Å
197T96.4Very high95.7Very high81 Ų8133.3 Ų33.350%0.49717%0.174SC..THydrogen-bonded Turntrans-81.8-21.3-178.763.50000113.6D194 K199D194-T197 WeakPolarHBondContact CB-OG1 3.49Å; D194-T197 VanDerWaalsContact CG-OG1 3.28Å; D194-T197 WeakPolarHBondContact OD2-CB 3.34Å; D194-T197 WeakPolarHBondContact OD2-CG2 3.5Å; D194-T197 PolarHBondContact OD2-N 3.35Å; D194-T197 PolarHBondContact OD2-OG1 3.28Å; T197-K199 PolarHBondContact O-N 2.7Å; T197-K199 PolarHBondContact OG1-N 3.09Å
198G95.6Very high96Very high6 Ų635.2 Ų35.26%0.06217%0.169CC..  trans68.38.1-170.600000114D194 K404D194-G198 WeakPolarHBondContact O-CA 3.33Å; D194-G198 PolarHBondContact O-N 3.3Å; G198-K404 WeakPolarHBondContact O-CE 3.47Å
199K96.3Very high96.1Very high132 Ų13235.2 Ų35.257%0.57417%0.173SC*.  trans-76.3138.6177.7-69.3-176.8178.5-177.80109.9S193 D194 T197 F201S193-K199 CarbonylContact C-O 3.54Å; S193-K199 VanDerWaalsContact CA-O 3.22Å; S193-K199 WeakPolarHBondContact CA-O 3.49Å; S193-K199 WeakPolarHBondContact CB-O 3.27Å; D194-K199 PolarHBondContact N-O 3.2Å; T197-K199 PolarHBondContact O-N 2.7Å; T197-K199 PolarHBondContact OG1-N 3.09Å; K199-F201 PolarHBondContact O-N 3.13Å
200I97.7Very high96Very high7 Ų740.8 Ų40.84%0.03620%0.198CC..EExtended strand (participates in β ladder)trans-61.7128171.3-60.2177.1000107.2I191 I203 K404 I428 L429 Q432 L434I191-I200 HydrophobicContact CD1-CD1 3.94Å; I191-I200 HydrophobicContact CD1-CG1 4.16Å; I191-I200 HydrophobicContact CD1-CG2 4.43Å; I191-I200 HydrophobicContact CG1-CG2 4.34Å; I200-I203 HydrophobicContact CD1-CD1 4.39Å; I200-I203 HydrophobicContact CG2-CD1 4.28Å; I200-I203 HydrophobicContact CG2-CG1 3.86Å; I200-K404 HydrophobicContact CD1-CB 4.45Å; I200-K404 HydrophobicContact CG1-CD 4.46Å; I200-K404 HydrophobicContact CG1-CG 4.18Å; I200-I428 HydrophobicContact CD1-CG2 3.72Å; I200-L429 HydrophobicContact CG2-CD2 4.45Å; I200-Q432 HydrophobicContact CD1-CG 3.94Å; I200-L434 HydrophobicContact CB-CD1 3.82Å; I200-L434 HydrophobicContact CG2-CD1 4.45Å; I200-L434 WeakPolarHBondContact O-CD1 3.25Å
201F97.2Very high95.9Very high28 Ų2844.9 Ų44.912%0.12322%0.215CC..EExtended strand (participates in β ladder)trans-87.8-48.1174.5178.2-94.5000110L164 Y168 L169 P170 L192 K199 F219L164-F201 HydrophobicContact CD1-CE1 3.95Å; L164-F201 HydrophobicContact CD1-CZ 4.3Å; L164-F201 HydrophobicContact CD2-CD2 4.43Å; L164-F201 HydrophobicContact CD2-CE1 4.12Å; L164-F201 HydrophobicContact CD2-CE2 3.98Å; L164-F201 HydrophobicContact CD2-CZ 3.82Å; Y168-F201 HydrophobicContact CD1-CE2 4.05Å; Y168-F201 HydrophobicContact CE1-CE2 4.06Å; L169-F201 HydrophobicContact CD2-CE1 3.73Å; L169-F201 HydrophobicContact CD2-CZ 3.77Å; P170-F201 HydrophobicContact CG-CB 4.38Å; P170-F201 HydrophobicContact CG-CD2 3.63Å; P170-F201 HydrophobicContact CG-CE2 4.14Å; P170-F201 HydrophobicContact CG-CG 4.11Å; L192-F201 HydrophobicContact CD1-CD1 3.56Å; L192-F201 HydrophobicContact CD1-CE1 4.21Å; L192-F201 HydrophobicContact CD1-CG 4.38Å; L192-F201 HydrophobicContact CD2-CD1 4.45Å; L192-F201 HydrophobicContact CG-CB 4.19Å; L192-F201 HydrophobicContact CG-CD1 3.9Å; L192-F201 PolarHBondContact O-N 3.16Å; K199-F201 PolarHBondContact O-N 3.13Å; F201-F219 HydrophobicContact CE1-CE1 4.23Å; F201-F219 AromaticContact CE1-CZ 3.8Å; F201-F219 HydrophobicContact CE1-CZ 3.8Å; F201-F219 AromaticContact CZ-CE1 3.88Å; F201-F219 HydrophobicContact CZ-CE1 3.88Å; F201-F219 AromaticContact CZ-CZ 3.93Å; F201-F219 HydrophobicContact CZ-CZ 3.93Å
202D97.1Very high95.8Very high12 Ų1245 Ų456%0.06422%0.216CC..EExtended strand (participates in β ladder)trans-159.3171.5171.7-154.7-0.7000112L164 L192 Y215 R425L164-D202 HydrophobicContact CD1-CB 3.99Å; L164-D202 VanDerWaalsContact CD1-OD2 3.24Å; L164-D202 WeakPolarHBondContact CD1-OD2 3.33Å; L192-D202 HydrophobicContact CD2-CB 3.78Å; L192-D202 WeakPolarHBondContact CD2-O 3.38Å; L192-D202 PolarHBondContact N-O 2.67Å; L192-D202 PolarHBondContact O-N 2.89Å; D202-Y215 WeakPolarHBondContact CB-OH 3.4Å; D202-Y215 VanDerWaalsContact OD2-CE2 3.3Å; D202-Y215 WeakPolarHBondContact OD2-CE2 3.24Å; D202-Y215 PolarHBondContact OD2-OH 2.84Å; D202-R425 IonicContact OD1-CZ 2.66Å; D202-R425 IonicContact OD1-NE 3.18Å; D202-R425 IonicContact OD1-NH2 2.7Å; D202-R425 PolarHBondContact OD1-NH2 3.47Å
203I97Very high95.8Very high2 Ų247.6 Ų47.61%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-136.6127.3174.6-56.8175.2000108.2F178 C189 F190 I191 I200 F421 R425 I428F178-I203 HydrophobicContact CE1-CG2 3.82Å; F178-I203 HydrophobicContact CZ-CG2 3.64Å; C189-I203 HydrophobicContact CB-CG2 4.39Å; F190-I203 CarbonylContact O-C 3.49Å; F190-I203 WeakPolarHBondContact O-CA 3.41Å; I191-I203 HydrophobicContact CD1-CD1 4.4Å; I191-I203 HydrophobicContact CD1-CG1 4.25Å; I191-I203 HydrophobicContact CG1-CG1 4.09Å; I200-I203 HydrophobicContact CD1-CD1 4.39Å; I200-I203 HydrophobicContact CG2-CD1 4.28Å; I200-I203 HydrophobicContact CG2-CG1 3.86Å; I203-F421 HydrophobicContact CG2-CE2 3.86Å; I203-F421 HydrophobicContact CG2-CZ 3.9Å; I203-R425 HydrophobicContact CB-CG 4.38Å; I203-R425 PolarHBondContact O-NE 2.99Å; I203-I428 HydrophobicContact CD1-CB 3.97Å; I203-I428 HydrophobicContact CD1-CD1 3.9Å; I203-I428 HydrophobicContact CD1-CG2 3.54Å
204L95.7Very high95.8Very high26 Ų2650.5 Ų50.514%0.13625%0.254CS..EExtended strand (participates in β ladder)trans-111.6147.2178.7-43.4176.7000110.5C189 F190 D206 L212 Y215C189-L204 CarbonylContact C-O 3.59Å; C189-L204 WeakPolarHBondContact CA-O 3.36Å; C189-L204 WeakPolarHBondContact CB-O 3.41Å; F190-L204 HydrophobicContact CB-CB 4.18Å; F190-L204 HydrophobicContact CD1-CD1 3.84Å; F190-L204 HydrophobicContact CD1-CG 4.2Å; F190-L204 PolarHBondContact N-O 3.27Å; F190-L204 PolarHBondContact O-N 3.16Å; L204-D206 PolarHBondContact O-N 3.09Å; L204-L212 HydrophobicContact CD1-CD2 3.76Å; L204-Y215 HydrophobicContact CD1-CD1 3.66Å; L204-Y215 HydrophobicContact CD1-CD2 3.85Å; L204-Y215 HydrophobicContact CD1-CE1 4.07Å; L204-Y215 HydrophobicContact CD1-CE2 4.25Å; L204-Y215 HydrophobicContact CD1-CG 3.52Å; L204-Y215 HydrophobicContact CD2-CD2 3.49Å; L204-Y215 VanDerWaalsContact CD2-CD2 3.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.42Å; L204-Y215 HydrophobicContact CD2-CE2 3.36Å; L204-Y215 HydrophobicContact CD2-CG 4.08Å; L204-Y215 HydrophobicContact CG-CD2 4.33Å; L204-Y215 HydrophobicContact CG-CE2 4.38Å; L204-Y215 HydrophobicContact CG-CG 4.46Å
205E94.8Very high95.8Very high104 Ų10450.5 Ų50.549%0.48625%0.252SS..SBendtrans-72.3-11.2179.562.7-175.7-174.700114.3F421E205-F421 HydrophobicContact CB-CD1 3.56Å; E205-F421 HydrophobicContact CB-CD2 4.12Å; E205-F421 HydrophobicContact CB-CE1 3.66Å; E205-F421 HydrophobicContact CB-CE2 4.21Å; E205-F421 HydrophobicContact CB-CG 3.78Å; E205-F421 HydrophobicContact CB-CZ 3.99Å
206D93.5Very high95.8Very high11 Ų1150.3 Ų50.36%0.05925%0.25CS..  trans-142.5145.7-173.7-159.1-29.4000110.5L204 R208 K211L204-D206 PolarHBondContact O-N 3.09Å; D206-R208 WeakPolarHBondContact OD1-CB 3.19Å; D206-R208 VanDerWaalsContact OD1-CG 3.26Å; D206-R208 WeakPolarHBondContact OD1-CG 3.01Å; D206-R208 PolarHBondContact OD1-N 3.07Å; D206-R208 IonicContact OD1-NE 3.61Å; D206-R208 PolarHBondContact OD1-NE 3.44Å; D206-R208 IonicContact OD2-CZ 2.69Å; D206-R208 IonicContact OD2-NE 2.9Å; D206-R208 PolarHBondContact OD2-NE 3.11Å; D206-R208 IonicContact OD2-NH2 3.26Å; D206-R208 PolarHBondContact OD2-NH2 3.35Å; D206-K211 HydrophobicContact CB-CB 4.29Å; D206-K211 HydrophobicContact CB-CG 4.15Å
207R92.4Very high95.8Very high75 Ų7550.4 Ų50.428%0.28325%0.249SC..  trans-116.30.1179.866.8168.2-176.1155.8-3.5113.9E177 M188 F190 L212 N235 Y238E177-R207 IonicContact OE1-CZ 2.97Å; E177-R207 IonicContact OE1-NH1 2.92Å; E177-R207 PolarHBondContact OE1-NH1 2.96Å; E177-R207 IonicContact OE2-CZ 2.81Å; E177-R207 IonicContact OE2-NH1 3.02Å; E177-R207 PolarHBondContact OE2-NH1 2.73Å; M188-R207 HydrophobicContact CB-CG 4.19Å; F190-R207 HydrophobicContact CB-CB 4.05Å; F190-R207 HydrophobicContact CD2-CB 4.41Å; R207-L212 VanDerWaalsContact O-CD1 3.29Å; R207-L212 WeakPolarHBondContact O-CD1 3.42Å; R207-N235 PolarHBondContact NH1-ND2 3.06Å; R207-Y238 HydrophobicContact CB-CE1 4.38Å; R207-Y238 WeakPolarHBondContact CD-OH 3.34Å
208R92.7Very high95.8Very high98 Ų9855.5 Ų55.537%0.3726%0.259SS..  trans-63.2141.2-179.8-70177.9-64.2173.2-4.4110.3D206 F210 K211 L212D206-R208 WeakPolarHBondContact OD1-CB 3.19Å; D206-R208 VanDerWaalsContact OD1-CG 3.26Å; D206-R208 WeakPolarHBondContact OD1-CG 3.01Å; D206-R208 PolarHBondContact OD1-N 3.07Å; D206-R208 IonicContact OD1-NE 3.61Å; D206-R208 PolarHBondContact OD1-NE 3.44Å; D206-R208 IonicContact OD2-CZ 2.69Å; D206-R208 IonicContact OD2-NE 2.9Å; D206-R208 PolarHBondContact OD2-NE 3.11Å; D206-R208 IonicContact OD2-NH2 3.26Å; D206-R208 PolarHBondContact OD2-NH2 3.35Å; R208-F210 VanDerWaalsContact C-N 3.32Å; R208-F210 HydrophobicContact CB-CD1 3.91Å; R208-F210 HydrophobicContact CB-CE1 3.68Å; R208-F210 HydrophobicContact CG-CE1 4.39Å; R208-F210 PolarHBondContact O-N 3.36Å; R208-F210 VanDerWaalsContact O-N 3.16Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 3.03Å; R208-L212 PolarHBondContact O-N 2.95Å; R208-L212 VanDerWaalsContact O-N 3.09Å
209S93.7Very high95.9Very high44 Ų4455.8 Ų55.831%0.30826%0.258SS..Hα-helixtrans-51.9-45.6-171-56.60000114K211 L212 I213 V241S209-K211 VanDerWaalsContact C-N 3.31Å; S209-K211 PolarHBondContact O-N 2.91Å; S209-L212 PolarHBondContact O-N 3.41Å; S209-I213 VanDerWaalsContact O-CG1 3.29Å; S209-I213 WeakPolarHBondContact O-CG1 3.31Å; S209-I213 PolarHBondContact O-N 3.47Å; S209-V241 VanDerWaalsContact CA-CG2 3.49Å; S209-V241 WeakPolarHBondContact OG-CG2 3.28Å
210F93.9Very high96Very high117 Ų11752.4 Ų52.451%0.51325%0.249SC..Hα-helixtrans-64.3-33.1-179.775.8-85.7000113.3R208 A214R208-F210 VanDerWaalsContact C-N 3.32Å; R208-F210 HydrophobicContact CB-CD1 3.91Å; R208-F210 HydrophobicContact CB-CE1 3.68Å; R208-F210 HydrophobicContact CG-CE1 4.39Å; R208-F210 PolarHBondContact O-N 3.36Å; R208-F210 VanDerWaalsContact O-N 3.16Å; F210-A214 WeakPolarHBondContact O-CB 3.16Å; F210-A214 PolarHBondContact O-N 3.01Å
211K94.7Very high96Very high87 Ų8758 Ų5838%0.37827%0.271SS..Hα-helixtrans-72.8-40.9175.7-68.9-65.5-165.9174.80111.4D206 R208 S209 A214 Y215D206-K211 HydrophobicContact CB-CB 4.29Å; D206-K211 HydrophobicContact CB-CG 4.15Å; R208-K211 WeakPolarHBondContact O-CB 3.3Å; R208-K211 PolarHBondContact O-N 3.03Å; S209-K211 VanDerWaalsContact C-N 3.31Å; S209-K211 PolarHBondContact O-N 2.91Å; K211-A214 PolarHBondContact O-N 2.98Å; K211-Y215 WeakPolarHBondContact O-CB 3.34Å; K211-Y215 PolarHBondContact O-N 3.17Å
212L95.9Very high96.1Very high2 Ų263.4 Ų63.41%0.0130%0.296CS..Hα-helixtrans-65.3-43.2176.2-62.9-174.1000111.5F190 L204 R207 R208 S209 Y215 F216 Y238 V241F190-L212 HydrophobicContact CB-CD2 3.99Å; F190-L212 HydrophobicContact CD1-CD2 3.73Å; F190-L212 HydrophobicContact CD2-CD1 3.95Å; F190-L212 HydrophobicContact CD2-CD2 3.98Å; F190-L212 HydrophobicContact CE1-CD2 4.1Å; F190-L212 HydrophobicContact CE2-CD1 3.89Å; F190-L212 HydrophobicContact CE2-CD2 4.35Å; F190-L212 HydrophobicContact CG-CD1 4.46Å; F190-L212 HydrophobicContact CG-CD2 3.64Å; F190-L212 HydrophobicContact CZ-CD1 4.35Å; F190-L212 HydrophobicContact CZ-CD2 4.39Å; L204-L212 HydrophobicContact CD1-CD2 3.76Å; R207-L212 VanDerWaalsContact O-CD1 3.29Å; R207-L212 WeakPolarHBondContact O-CD1 3.42Å; R208-L212 PolarHBondContact O-N 2.95Å; R208-L212 VanDerWaalsContact O-N 3.09Å; S209-L212 PolarHBondContact O-N 3.41Å; L212-Y215 PolarHBondContact O-N 2.87Å; L212-F216 HydrophobicContact CB-CD2 4.44Å; L212-F216 HydrophobicContact CB-CE2 4.4Å; L212-F216 WeakPolarHBondContact O-CD2 3.49Å; L212-F216 PolarHBondContact O-N 2.58Å; L212-Y238 HydrophobicContact CD1-CD1 3.94Å; L212-Y238 HydrophobicContact CD1-CE1 3.7Å; L212-V241 HydrophobicContact CB-CG1 3.83Å; L212-V241 HydrophobicContact CD1-CG1 4.48Å
213I97.3Very high96.1Very high55 Ų5562.9 Ų62.928%0.28229%0.293SS..Hα-helixtrans-58.1-51.2173.6-68.4167.1000109.9S209 Y215 F216 M217 V241 V245S209-I213 VanDerWaalsContact O-CG1 3.29Å; S209-I213 WeakPolarHBondContact O-CG1 3.31Å; S209-I213 PolarHBondContact O-N 3.47Å; I213-Y215 VanDerWaalsContact C-N 3.29Å; I213-Y215 PolarHBondContact O-N 2.93Å; I213-F216 PolarHBondContact O-N 3.3Å; I213-M217 HydrophobicContact CG2-CE 4.21Å; I213-M217 HydrophobicContact CG2-CG 4.02Å; I213-M217 WeakPolarHBondContact O-CB 3.41Å; I213-M217 WeakPolarHBondContact O-CG 3.32Å; I213-M217 PolarHBondContact O-N 3.44Å; I213-V241 HydrophobicContact CG1-CG1 4.19Å; I213-V241 HydrophobicContact CG1-CG2 4.37Å; I213-V245 HydrophobicContact CG1-CG1 4.17Å
214A97.1Very high96.2Very high62 Ų6264.2 Ų64.251%0.51230%0.298SS..Hα-helixtrans-58.1-40.5178.500000112.7F210 K211F210-A214 WeakPolarHBondContact O-CB 3.16Å; F210-A214 PolarHBondContact O-N 3.01Å; K211-A214 PolarHBondContact O-N 2.98Å
215Y97.3Very high96.3Very high19 Ų1967 Ų678%0.07531%0.309CS..Hα-helixtrans-62.2-53.3175.4171.5-99.1000111.9L164 L192 D202 L204 K211 L212 I213 M217 R218 F219L164-Y215 WeakPolarHBondContact CD1-OH 3.3Å; L192-Y215 HydrophobicContact CD2-CE1 4.48Å; D202-Y215 WeakPolarHBondContact CB-OH 3.4Å; D202-Y215 VanDerWaalsContact OD2-CE2 3.3Å; D202-Y215 WeakPolarHBondContact OD2-CE2 3.24Å; D202-Y215 PolarHBondContact OD2-OH 2.84Å; L204-Y215 HydrophobicContact CD1-CD1 3.66Å; L204-Y215 HydrophobicContact CD1-CD2 3.85Å; L204-Y215 HydrophobicContact CD1-CE1 4.07Å; L204-Y215 HydrophobicContact CD1-CE2 4.25Å; L204-Y215 HydrophobicContact CD1-CG 3.52Å; L204-Y215 HydrophobicContact CD2-CD2 3.49Å; L204-Y215 VanDerWaalsContact CD2-CD2 3.49Å; L204-Y215 HydrophobicContact CD2-CE1 4.42Å; L204-Y215 HydrophobicContact CD2-CE2 3.36Å; L204-Y215 HydrophobicContact CD2-CG 4.08Å; L204-Y215 HydrophobicContact CG-CD2 4.33Å; L204-Y215 HydrophobicContact CG-CE2 4.38Å; L204-Y215 HydrophobicContact CG-CG 4.46Å; K211-Y215 WeakPolarHBondContact O-CB 3.34Å; K211-Y215 PolarHBondContact O-N 3.17Å; L212-Y215 PolarHBondContact O-N 2.87Å; I213-Y215 VanDerWaalsContact C-N 3.29Å; I213-Y215 PolarHBondContact O-N 2.93Å; Y215-M217 VanDerWaalsContact C-N 3.33Å; Y215-M217 PolarHBondContact O-N 3.09Å; Y215-R218 WeakPolarHBondContact O-CB 3.34Å; Y215-R218 PolarHBondContact O-N 3.24Å; Y215-F219 HydrophobicContact CD1-CE2 4.41Å; Y215-F219 AromaticContact CE1-CE2 3.84Å; Y215-F219 HydrophobicContact CE1-CE2 3.84Å; Y215-F219 HydrophobicContact CE2-CE2 4.49Å; Y215-F219 AromaticContact CZ-CE2 3.9Å
216F98Very high96.4Very high4 Ų466.6 Ų66.62%0.01831%0.307CS..Hα-helixtrans-70.1-28.9-175.6-72-61.4000112.8F190 L192 L212 I213 R218 F219 R224 V245 F246F190-F216 HydrophobicContact CE1-CE2 4.24Å; F190-F216 AromaticContact CE1-CZ 3.93Å; F190-F216 HydrophobicContact CE1-CZ 3.93Å; F190-F216 HydrophobicContact CZ-CE2 4.37Å; F190-F216 HydrophobicContact CZ-CZ 4.26Å; L192-F216 HydrophobicContact CD1-CE1 3.83Å; L192-F216 HydrophobicContact CD1-CZ 4.03Å; L212-F216 HydrophobicContact CB-CD2 4.44Å; L212-F216 HydrophobicContact CB-CE2 4.4Å; L212-F216 WeakPolarHBondContact O-CD2 3.49Å; L212-F216 PolarHBondContact O-N 2.58Å; I213-F216 PolarHBondContact O-N 3.3Å; F216-R218 PolarHBondContact O-N 3.06Å; F216-R218 VanDerWaalsContact O-N 3.14Å; F216-F219 HydrophobicContact CD1-CD2 4.44Å; F216-F219 HydrophobicContact CD1-CE2 4.48Å; F216-F219 WeakPolarHBondContact O-CB 3.47Å; F216-F219 WeakPolarHBondContact O-CD2 3.07Å; F216-F219 PolarHBondContact O-N 3.21Å; F216-R224 WeakPolarHBondContact O-CD 3.43Å; F216-V245 HydrophobicContact CB-CB 3.83Å; F216-V245 HydrophobicContact CB-CG1 3.85Å; F216-V245 HydrophobicContact CB-CG2 4.16Å; F216-V245 HydrophobicContact CD2-CB 4.4Å; F216-V245 HydrophobicContact CD2-CG1 4.33Å; F216-V245 HydrophobicContact CD2-CG2 3.88Å; F216-V245 HydrophobicContact CG-CB 4.32Å; F216-V245 HydrophobicContact CG-CG1 4.49Å; F216-V245 HydrophobicContact CG-CG2 4.1Å; F216-F246 HydrophobicContact CD1-CE1 4.02Å; F216-F246 AromaticContact CD1-CZ 3.56Å; F216-F246 HydrophobicContact CD1-CZ 3.56Å; F216-F246 HydrophobicContact CD2-CZ 4.36Å; F216-F246 HydrophobicContact CE1-CE1 4.35Å; F216-F246 HydrophobicContact CE1-CE2 4.35Å; F216-F246 AromaticContact CE1-CZ 3.51Å; F216-F246 HydrophobicContact CE1-CZ 3.51Å; F216-F246 HydrophobicContact CE2-CZ 4.31Å; F216-F246 HydrophobicContact CG-CE1 4.44Å; F216-F246 HydrophobicContact CG-CZ 4.02Å; F216-F246 HydrophobicContact CZ-CE2 4.31Å; F216-F246 AromaticContact CZ-CZ 3.9Å; F216-F246 HydrophobicContact CZ-CZ 3.9Å
217M97.2Very high96.7Very high87 Ų8766.1 Ų66.143%0.42930%0.304SS..THydrogen-bonded Turntrans-66.7-10.9176.6-71.8-62.9-179.900113.9I213 Y215 F219 R224 V244I213-M217 HydrophobicContact CG2-CE 4.21Å; I213-M217 HydrophobicContact CG2-CG 4.02Å; I213-M217 WeakPolarHBondContact O-CB 3.41Å; I213-M217 WeakPolarHBondContact O-CG 3.32Å; I213-M217 PolarHBondContact O-N 3.44Å; Y215-M217 VanDerWaalsContact C-N 3.33Å; Y215-M217 PolarHBondContact O-N 3.09Å; M217-F219 VanDerWaalsContact C-N 3.26Å; M217-R224 VanDerWaalsContact SD-CZ 3.54Å; M217-R224 PolarHBondContact SD-NH2 3.15Å; M217-V244 HydrophobicContact CE-CG1 4.13Å
218R97.2Very high96.9Very high187 Ų18763.6 Ų63.671%0.70630%0.298SS*.THydrogen-bonded Turntrans-72.4-21170.2-62170.263-169.4-0.6112.8Y215 F216Y215-R218 WeakPolarHBondContact O-CB 3.34Å; Y215-R218 PolarHBondContact O-N 3.24Å; F216-R218 PolarHBondContact O-N 3.06Å; F216-R218 VanDerWaalsContact O-N 3.14Å
219F98.2Very high97.2Very high12 Ų1259.2 Ų59.25%0.05328%0.282CS..SBendtrans-83.4145.5175.1-63.3-90.2000110.4L164 P166 Y168 L169 F201 Y215 F216 M217 A223 R224L164-F219 HydrophobicContact CB-CE1 4.46Å; L164-F219 HydrophobicContact CB-CZ 4.44Å; L164-F219 HydrophobicContact CD1-CZ 4.13Å; P166-F219 CarbonylContact O-C 3.58Å; P166-F219 WeakPolarHBondContact O-CA 3.48Å; P166-F219 WeakPolarHBondContact O-CB 3.41Å; Y168-F219 WeakPolarHBondContact O-CD1 3.45Å; Y168-F219 WeakPolarHBondContact O-CE1 3.49Å; L169-F219 HydrophobicContact CD1-CB 3.93Å; L169-F219 HydrophobicContact CD1-CD1 4.23Å; L169-F219 HydrophobicContact CD1-CD2 4.34Å; L169-F219 HydrophobicContact CD1-CG 3.91Å; L169-F219 HydrophobicContact CD2-CD1 4.03Å; L169-F219 HydrophobicContact CD2-CD2 4.25Å; L169-F219 HydrophobicContact CD2-CE1 3.93Å; L169-F219 HydrophobicContact CD2-CE2 4.15Å; L169-F219 HydrophobicContact CD2-CG 4.19Å; L169-F219 HydrophobicContact CD2-CZ 3.99Å; L169-F219 HydrophobicContact CG-CB 4.4Å; L169-F219 HydrophobicContact CG-CD1 3.78Å; L169-F219 HydrophobicContact CG-CD2 4.47Å; L169-F219 HydrophobicContact CG-CE1 4.14Å; L169-F219 HydrophobicContact CG-CG 3.96Å; F201-F219 HydrophobicContact CE1-CE1 4.23Å; F201-F219 AromaticContact CE1-CZ 3.8Å; F201-F219 HydrophobicContact CE1-CZ 3.8Å; F201-F219 AromaticContact CZ-CE1 3.88Å; F201-F219 HydrophobicContact CZ-CE1 3.88Å; F201-F219 AromaticContact CZ-CZ 3.93Å; F201-F219 HydrophobicContact CZ-CZ 3.93Å; Y215-F219 HydrophobicContact CD1-CE2 4.41Å; Y215-F219 AromaticContact CE1-CE2 3.84Å; Y215-F219 HydrophobicContact CE1-CE2 3.84Å; Y215-F219 HydrophobicContact CE2-CE2 4.49Å; Y215-F219 AromaticContact CZ-CE2 3.9Å; F216-F219 HydrophobicContact CD1-CD2 4.44Å; F216-F219 HydrophobicContact CD1-CE2 4.48Å; F216-F219 WeakPolarHBondContact O-CB 3.47Å; F216-F219 WeakPolarHBondContact O-CD2 3.07Å; F216-F219 PolarHBondContact O-N 3.21Å; M217-F219 VanDerWaalsContact C-N 3.26Å; F219-A223 HydrophobicContact CB-CB 4.4Å; F219-R224 HydrophobicContact CB-CG 4.14Å
220T98.2Very high97.4Very high61 Ų6157.1 Ų57.137%0.37427%0.267SS..  trans-59.2149.6178.769.20000110.2P166 N167 H222 A223 R224P166-T220 PolarHBondContact O-N 3.22Å; N167-T220 HydrophobicContact CB-CG2 4.26Å; T220-H222 PolarHBondContact O-N 3.12Å; T220-A223 WeakPolarHBondContact O-CB 3.38Å; T220-A223 PolarHBondContact O-N 3.37Å; T220-A223 VanDerWaalsContact O-N 3.07Å; T220-A223 WeakPolarHBondContact OG1-CB 3.37Å; T220-A223 PolarHBondContact OG1-N 2.78Å; T220-R224 PolarHBondContact O-N 3.47Å
221Y98Very high97.6Very high126 Ų12651.6 Ų51.649%0.49424%0.243SC..Hα-helixtrans-57-36.1177.3-178.2-125.5000112.3R224 K225 P247Y221-R224 PolarHBondContact O-N 3.04Å; Y221-K225 HydrophobicContact CD1-CD 4.23Å; Y221-K225 HydrophobicContact CE1-CD 3.66Å; Y221-K225 HydrophobicContact CE1-CG 4.33Å; Y221-K225 HydrophobicContact CE2-CD 4.29Å; Y221-K225 HydrophobicContact CE2-CG 4.11Å; Y221-K225 WeakPolarHBondContact O-CB 3.47Å; Y221-K225 PolarHBondContact O-N 2.72Å; Y221-K225 WeakPolarHBondContact OH-CE 3.38Å; Y221-P247 HydrophobicContact CE2-CG 4.04Å
222H97.9Very high97.7Very high140 Ų14047.5 Ų47.565%0.64823%0.225SC*.Hα-helixtrans-60.1-48174.1-177.3-82.2000112.2T220 R224 K225 H226T220-H222 PolarHBondContact O-N 3.12Å; H222-R224 VanDerWaalsContact C-N 3.3Å; H222-R224 PolarHBondContact O-N 2.97Å; H222-K225 PolarHBondContact O-N 2.52Å; H222-H226 PolarHBondContact O-N 3.36Å
223A98.1Very high97.6Very high2 Ų248.2 Ų48.22%0.01723%0.229CC..Hα-helixtrans-59.9-42.4177.200000111.5L169 F219 T220 H226L169-A223 HydrophobicContact CD1-CB 4.36Å; F219-A223 HydrophobicContact CB-CB 4.4Å; T220-A223 WeakPolarHBondContact O-CB 3.38Å; T220-A223 PolarHBondContact O-N 3.37Å; T220-A223 VanDerWaalsContact O-N 3.07Å; T220-A223 WeakPolarHBondContact OG1-CB 3.37Å; T220-A223 PolarHBondContact OG1-N 2.78Å; A223-H226 WeakPolarHBondContact O-CB 3.27Å; A223-H226 PolarHBondContact O-N 3.19Å
224R98.4Very high97.3Very high30 Ų3046.9 Ų46.911%0.11322%0.222CC..Hα-helixtrans-65.2-38.5177.2-69.9-167.9-63.8127.8-11.8113.3L169 F216 M217 F219 T220 Y221 H222 H226 V227 V245 F246L169-R224 HydrophobicContact CD1-CG 3.99Å; F216-R224 WeakPolarHBondContact O-CD 3.43Å; M217-R224 VanDerWaalsContact SD-CZ 3.54Å; M217-R224 PolarHBondContact SD-NH2 3.15Å; F219-R224 HydrophobicContact CB-CG 4.14Å; T220-R224 PolarHBondContact O-N 3.47Å; Y221-R224 PolarHBondContact O-N 3.04Å; H222-R224 VanDerWaalsContact C-N 3.3Å; H222-R224 PolarHBondContact O-N 2.97Å; R224-H226 VanDerWaalsContact C-N 3.27Å; R224-H226 PolarHBondContact O-N 3.05Å; R224-V227 PolarHBondContact O-N 3.33Å; R224-V245 WeakPolarHBondContact CB-O 3.49Å; R224-V245 WeakPolarHBondContact CD-O 3.29Å; R224-V245 PolarHBondContact NH1-O 3.19Å; R224-V245 VanDerWaalsContact NH1-O 3.12Å; R224-F246 HydrophobicContact CB-CD1 4.38Å
225K97.9Very high96.8Very high85 Ų8546.5 Ų46.537%0.3721%0.212SC..Hα-helixtrans-68.8-23.7173.6-92.4-171149.9-179.60113.6Y221 H222 V227 P247 N248Y221-K225 HydrophobicContact CD1-CD 4.23Å; Y221-K225 HydrophobicContact CE1-CD 3.66Å; Y221-K225 HydrophobicContact CE1-CG 4.33Å; Y221-K225 HydrophobicContact CE2-CD 4.29Å; Y221-K225 HydrophobicContact CE2-CG 4.11Å; Y221-K225 WeakPolarHBondContact O-CB 3.47Å; Y221-K225 PolarHBondContact O-N 2.72Å; Y221-K225 WeakPolarHBondContact OH-CE 3.38Å; H222-K225 PolarHBondContact O-N 2.52Å; K225-V227 VanDerWaalsContact C-N 3.34Å; K225-P247 HydrophobicContact CG-CG 3.71Å; K225-N248 PolarHBondContact O-ND2 2.98Å
226H97.7Very high95.9Very high95 Ų9549 Ų4944%0.4424%0.236SC..Hα-helixtrans-75-24.9179.1-169.275.1000112.7H222 A223 R224 S228H222-H226 PolarHBondContact O-N 3.36Å; A223-H226 WeakPolarHBondContact O-CB 3.27Å; A223-H226 PolarHBondContact O-N 3.19Å; R224-H226 VanDerWaalsContact C-N 3.27Å; R224-H226 PolarHBondContact O-N 3.05Å; H226-S228 PolarHBondContact O-N 3.23Å; H226-S228 VanDerWaalsContact O-N 3.14Å
227V98.4Very high95.5Very high0 Ų049.8 Ų49.80%025%0.245CC..  trans-61.6117.2171.2-175.80000108.9L169 L173 R224 K225 V230 F246 A249L169-V227 HydrophobicContact CB-CG2 3.78Å; L169-V227 HydrophobicContact CD1-CG2 4.03Å; L173-V227 HydrophobicContact CD1-CG1 3.82Å; L173-V227 HydrophobicContact CD1-CG2 4.05Å; L173-V227 HydrophobicContact CG-CG1 4.26Å; R224-V227 PolarHBondContact O-N 3.33Å; K225-V227 VanDerWaalsContact C-N 3.34Å; V227-V230 HydrophobicContact CG1-CG2 3.84Å; V227-F246 HydrophobicContact CB-CB 4.31Å; V227-F246 HydrophobicContact CB-CD1 3.86Å; V227-F246 HydrophobicContact CB-CE1 4.41Å; V227-F246 HydrophobicContact CB-CG 4.09Å; V227-F246 HydrophobicContact CG1-CB 4.36Å; V227-F246 HydrophobicContact CG1-CD1 4.2Å; V227-F246 HydrophobicContact CG1-CD2 4.31Å; V227-F246 HydrophobicContact CG1-CG 4.03Å; V227-F246 HydrophobicContact CG2-CD1 3.69Å; V227-F246 HydrophobicContact CG2-CE1 3.8Å; V227-F246 HydrophobicContact CG2-CG 4.36Å; V227-A249 HydrophobicContact CG1-CB 4.1Å
228S97.9Very high95.2Very high22 Ų2245.8 Ų45.815%0.15423%0.225CC..  trans-109.5-23.7-173.274.40000113.6K171 H172 H226 R250K171-S228 WeakPolarHBondContact CG-OG 3.29Å; K171-S228 PolarHBondContact O-N 3.17Å; K171-S228 PolarHBondContact O-OG 3.35Å; K171-S228 VanDerWaalsContact O-OG 3.05Å; H172-S228 PolarHBondContact CE1-OG 3.29Å; H172-S228 PolarHBondContact ND1-OG 2.66Å; H172-S228 VanDerWaalsContact ND1-OG 3.16Å; H226-S228 PolarHBondContact O-N 3.23Å; H226-S228 VanDerWaalsContact O-N 3.14Å; S228-R250 PolarHBondContact O-N 3.06Å
229H98.3Very high94.8Very high6 Ų638.8 Ų38.83%0.02820%0.202CC..EExtended strand (participates in β ladder)trans-141.4144.1172.3-86.279.5000111.8K171 H172 L173 R250 Y394 Y396K171-H229 PolarHBondContact O-N 3.11Å; H172-H229 WeakPolarHBondContact CA-O 3.1Å; L173-H229 PolarHBondContact N-O 3.47Å; H229-R250 CarbonylContact C-O 3.56Å; H229-R250 VanDerWaalsContact CA-O 3.25Å; H229-R250 WeakPolarHBondContact CA-O 3.34Å; H229-R250 WeakPolarHBondContact NE2-CB 3.26Å; H229-Y394 AromaticContact CE1-CD1 3.69Å; H229-Y394 AromaticContact CE1-CD2 3.92Å; H229-Y394 AromaticContact CE1-CE1 3.67Å; H229-Y394 AromaticContact CE1-CE2 3.92Å; H229-Y394 AromaticContact CE1-CG 3.81Å; H229-Y394 AromaticContact CE1-CZ 3.79Å; H229-Y394 AromaticContact NE2-CD1 3.6Å; H229-Y394 AromaticContact NE2-CD2 3.1Å; H229-Y394 WeakPolarHBondContact NE2-CD2 3.11Å; H229-Y394 AromaticContact NE2-CE1 3.84Å; H229-Y394 AromaticContact NE2-CE2 3.37Å; H229-Y394 WeakPolarHBondContact NE2-CE2 3.47Å; H229-Y394 AromaticContact NE2-CG 3.22Å; H229-Y394 AromaticContact NE2-CZ 3.73Å; H229-Y396 HydrophobicContact CB-CD2 4.16Å; H229-Y396 HydrophobicContact CB-CE2 4.23Å; H229-Y396 AromaticContact CD2-CD2 3.99Å; H229-Y396 AromaticContact CG-CD2 3.98Å; H229-Y396 AromaticContact CG-CE2 3.93Å
230V98.3Very high94.5Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-130.6125.8170.51800000108.5L173 I175 V227 T242 F246 A249 R250 I251 S252L173-V230 HydrophobicContact CB-CG2 4.29Å; L173-V230 CarbonylContact O-C 3.54Å; L173-V230 WeakPolarHBondContact O-CA 3.39Å; I175-V230 HydrophobicContact CD1-CG1 3.83Å; I175-V230 HydrophobicContact CG1-CG1 3.96Å; I175-V230 HydrophobicContact CG2-CG1 4.28Å; V227-V230 HydrophobicContact CG1-CG2 3.84Å; V230-T242 HydrophobicContact CG1-CG2 4.03Å; V230-F246 HydrophobicContact CG2-CD2 3.75Å; V230-F246 HydrophobicContact CG2-CE2 4.18Å; V230-A249 HydrophobicContact CG2-CB 3.94Å; V230-R250 PolarHBondContact N-O 3.27Å; V230-I251 CarbonylContact O-C 3.46Å; V230-I251 WeakPolarHBondContact O-CA 3.33Å; V230-S252 PolarHBondContact O-N 3.34Å
231V98Very high94.4Very high1 Ų138.4 Ų38.41%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-100.3130.6170.7-170.60000109.2L173 L174 I175 S252 D254 Y396 N398L173-V231 PolarHBondContact O-N 2.88Å; L174-V231 HydrophobicContact CD2-CB 3.67Å; L174-V231 HydrophobicContact CD2-CG1 4.5Å; L174-V231 HydrophobicContact CD2-CG2 3.63Å; I175-V231 WeakPolarHBondContact CG1-O 3.14Å; I175-V231 PolarHBondContact N-O 2.88Å; V231-S252 VanDerWaalsContact CA-O 3.31Å; V231-S252 WeakPolarHBondContact CA-O 3.38Å; V231-D254 HydrophobicContact CG1-CB 4.13Å; V231-Y396 VanDerWaalsContact CG2-CB 3.42Å; V231-N398 WeakPolarHBondContact CB-OD1 3.33Å; V231-N398 HydrophobicContact CG1-CB 4.4Å; V231-N398 VanDerWaalsContact CG1-OD1 3.28Å; V231-N398 WeakPolarHBondContact CG1-OD1 3.25Å; V231-N398 PolarHBondContact O-OD1 3.34Å
232M96.5Very high94.3Very high1 Ų132.6 Ų32.61%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-153.2168.8-176.270.3-172.5-163.300112.5I175 D239 T242 I251 S252 I253 D254I175-M232 HydrophobicContact CD1-CB 3.6Å; I175-M232 HydrophobicContact CD1-CG 4.46Å; I175-M232 HydrophobicContact CD1-SD 4.07Å; I175-M232 HydrophobicContact CG1-CB 3.36Å; M232-D239 VanDerWaalsContact CE-CA 3.42Å; M232-D239 HydrophobicContact CE-CB 3.62Å; M232-T242 HydrophobicContact SD-CG2 3.99Å; M232-I251 HydrophobicContact CE-CD1 4.28Å; M232-I251 HydrophobicContact CE-CG2 3.27Å; M232-I251 HydrophobicContact CG-CG2 4.08Å; M232-I251 HydrophobicContact SD-CG2 3.87Å; M232-S252 PolarHBondContact N-O 3.42Å; M232-I253 HydrophobicContact CG-CD1 4.48Å; M232-I253 CarbonylContact O-C 3.58Å; M232-I253 VanDerWaalsContact O-CA 3.3Å; M232-I253 WeakPolarHBondContact O-CA 3.5Å; M232-D254 PolarHBondContact O-N 3.11Å
233D93.6Very high94Very high18 Ų1832 Ų3210%0.09618%0.176CC..  trans-76.6170.1173-69.49.4000112.1N235 H257D233-N235 PolarHBondContact O-N 3.11Å; D233-H257 IonicContact OD1-CD2 2.79Å; D233-H257 PolarHBondContact OD1-CD2 2.86Å; D233-H257 IonicContact OD1-CE1 3.09Å; D233-H257 IonicContact OD1-CG 3.85Å; D233-H257 IonicContact OD1-NE2 3.33Å; D233-H257 PolarHBondContact OD1-NE2 3.18Å; D233-H257 IonicContact OD2-CE1 3.81Å; D233-H257 PolarHBondContact OD2-CE1 3.3Å; D233-H257 IonicContact OD2-ND1 3.79Å; D233-H257 IonicContact OD2-NE2 3.32Å; D233-H257 PolarHBondContact OD2-NE2 3.38Å
234M92Very high93.9Very high26 Ų2635.7 Ų35.713%0.12820%0.198CC..SBendtrans-72.927175.3-66.2-174.8-73.200114.2A236 I253 H257 Q261 Y380 L381M234-A236 PolarHBondContact O-N 3.39Å; M234-I253 HydrophobicContact CG-CB 4.47Å; M234-I253 HydrophobicContact CG-CD1 3.89Å; M234-I253 HydrophobicContact CG-CG1 4.02Å; M234-I253 HydrophobicContact CG-CG2 3.56Å; M234-I253 HydrophobicContact SD-CG2 4.32Å; M234-H257 HydrophobicContact CE-CB 4.13Å; M234-H257 WeakPolarHBondContact CE-O 3.37Å; M234-Q261 HydrophobicContact CE-CB 3.87Å; M234-Q261 HydrophobicContact CE-CG 4.38Å; M234-Y380 HydrophobicContact SD-CE1 4.07Å; M234-L381 HydrophobicContact SD-CD2 4.16Å
235N85.4Confident93.9Very high55 Ų5534.2 Ų34.229%0.29419%0.193SC..  trans-75.1114.4175.5-176-21.8000109.8R207 D233 G237 Y238R207-N235 PolarHBondContact NH1-ND2 3.06Å; D233-N235 PolarHBondContact O-N 3.11Å; N235-G237 PolarHBondContact O-N 2.92Å; N235-G237 VanDerWaalsContact O-N 3.1Å; N235-G237 PolarHBondContact OD1-N 3.38Å; N235-Y238 HydrophobicContact CB-CD2 3.78Å; N235-Y238 HydrophobicContact CB-CE2 4.16Å; N235-Y238 HydrophobicContact CB-CG 4.35Å; N235-Y238 PolarHBondContact O-N 3.02Å
236A79.1Confident93.9Very high71 Ų7130.4 Ų30.459%0.58718%0.176SC*.Hα-helixtrans-56.1-29.9-177.800000113.6M234 Y238 S240M234-A236 PolarHBondContact O-N 3.39Å; A236-Y238 PolarHBondContact O-N 3.38Å; A236-S240 PolarHBondContact O-N 2.9Å
237G88.2Confident93.8Very high20 Ų2028.8 Ų28.821%0.20617%0.174CC..Hα-helixtrans-62.1-41.4176.100000112.5N235 S240 V241N235-G237 PolarHBondContact O-N 2.92Å; N235-G237 VanDerWaalsContact O-N 3.1Å; N235-G237 PolarHBondContact OD1-N 3.38Å; G237-S240 PolarHBondContact O-N 2.93Å; G237-S240 PolarHBondContact O-OG 2.83Å; G237-V241 VanDerWaalsContact O-CG2 3.27Å; G237-V241 WeakPolarHBondContact O-CG2 3.46Å; G237-V241 PolarHBondContact O-N 2.92Å; G237-V241 VanDerWaalsContact O-N 3.14Å
238Y92.1Very high93.7Very high4 Ų433 Ų332%0.01620%0.197CC..Hα-helixtrans-71.1-37.8-178.8-63.8-29000113I175 E177 F190 R207 L212 N235 A236 S240 V241 T242I175-Y238 HydrophobicContact CD1-CD2 4.39Å; I175-Y238 HydrophobicContact CD1-CG 4.17Å; E177-Y238 WeakPolarHBondContact OE2-CE2 3.45Å; E177-Y238 VanDerWaalsContact OE2-CZ 3.23Å; E177-Y238 PolarHBondContact OE2-OH 3.38Å; F190-Y238 AromaticContact CD2-CE1 3.91Å; F190-Y238 HydrophobicContact CD2-CE1 3.91Å; F190-Y238 AromaticContact CD2-CZ 3.98Å; F190-Y238 HydrophobicContact CE2-CD1 4.33Å; F190-Y238 AromaticContact CE2-CE1 3.82Å; F190-Y238 HydrophobicContact CE2-CE1 3.82Å; R207-Y238 HydrophobicContact CB-CE1 4.38Å; R207-Y238 WeakPolarHBondContact CD-OH 3.34Å; L212-Y238 HydrophobicContact CD1-CD1 3.94Å; L212-Y238 HydrophobicContact CD1-CE1 3.7Å; N235-Y238 HydrophobicContact CB-CD2 3.78Å; N235-Y238 HydrophobicContact CB-CE2 4.16Å; N235-Y238 HydrophobicContact CB-CG 4.35Å; N235-Y238 PolarHBondContact O-N 3.02Å; A236-Y238 PolarHBondContact O-N 3.38Å; Y238-S240 VanDerWaalsContact C-N 3.34Å; Y238-S240 PolarHBondContact O-N 3.28Å; Y238-V241 PolarHBondContact O-N 3.29Å; Y238-T242 WeakPolarHBondContact O-CB 3.1Å; Y238-T242 VanDerWaalsContact O-CG2 3.23Å; Y238-T242 WeakPolarHBondContact O-CG2 3.33Å; Y238-T242 PolarHBondContact O-N 2.94Å; Y238-T242 PolarHBondContact O-OG1 3.07Å
239D89.3Confident93.7Very high40 Ų4033 Ų3321%0.21420%0.197CC..Hα-helixtrans-58.8-45.6175-176.162.8000112M232 T242 K243 I251M232-D239 VanDerWaalsContact CE-CA 3.42Å; M232-D239 HydrophobicContact CE-CB 3.62Å; D239-T242 PolarHBondContact O-OG1 2.83Å; D239-T242 VanDerWaalsContact O-OG1 3.09Å; D239-K243 VanDerWaalsContact CG-NZ 3.32Å; D239-K243 WeakPolarHBondContact O-CG 3.42Å; D239-K243 PolarHBondContact O-N 2.85Å; D239-K243 WeakPolarHBondContact OD1-CE 3.22Å; D239-K243 IonicContact OD1-NZ 2.76Å; D239-K243 PolarHBondContact OD1-NZ 3.27Å; D239-K243 WeakPolarHBondContact OD2-CE 3.45Å; D239-K243 IonicContact OD2-NZ 3.73Å; D239-K243 PolarHBondContact OD2-NZ 2.64Å; D239-I251 WeakPolarHBondContact OD1-CD1 3.49Å
240S92Very high93.6Very high61 Ų6138.3 Ų38.343%0.42722%0.218SC..Hα-helixtrans-63.1-43.9176.7680000113A236 G237 Y238 V244A236-S240 PolarHBondContact O-N 2.9Å; G237-S240 PolarHBondContact O-N 2.93Å; G237-S240 PolarHBondContact O-OG 2.83Å; Y238-S240 VanDerWaalsContact C-N 3.34Å; Y238-S240 PolarHBondContact O-N 3.28Å; S240-V244 WeakPolarHBondContact O-CG2 3.39Å; S240-V244 PolarHBondContact O-N 2.83Å
241V95.2Very high93.6Very high4 Ų439.1 Ų39.12%0.02422%0.222CC..Hα-helixtrans-67.2-49.3-1791710000110.8S209 L212 I213 G237 Y238 K243 V244 V245S209-V241 VanDerWaalsContact CA-CG2 3.49Å; S209-V241 WeakPolarHBondContact OG-CG2 3.28Å; L212-V241 HydrophobicContact CB-CG1 3.83Å; L212-V241 HydrophobicContact CD1-CG1 4.48Å; I213-V241 HydrophobicContact CG1-CG1 4.19Å; I213-V241 HydrophobicContact CG1-CG2 4.37Å; G237-V241 VanDerWaalsContact O-CG2 3.27Å; G237-V241 WeakPolarHBondContact O-CG2 3.46Å; G237-V241 PolarHBondContact O-N 2.92Å; G237-V241 VanDerWaalsContact O-N 3.14Å; Y238-V241 PolarHBondContact O-N 3.29Å; V241-K243 VanDerWaalsContact C-N 3.33Å; V241-K243 PolarHBondContact O-N 2.82Å; V241-V244 WeakPolarHBondContact O-CB 3.46Å; V241-V244 PolarHBondContact O-N 2.88Å; V241-V245 HydrophobicContact CG1-CG1 4.25Å; V241-V245 HydrophobicContact CG1-CG2 4.29Å; V241-V245 WeakPolarHBondContact O-CG2 3.37Å; V241-V245 PolarHBondContact O-N 2.81Å
242T94.9Very high93.6Very high4 Ų439.1 Ų39.13%0.02522%0.222CC..Hα-helixtrans-60.6-40.9-175.249.20000112.2I175 V230 M232 Y238 D239 V244 V245 F246 I251I175-T242 HydrophobicContact CD1-CG2 3.93Å; V230-T242 HydrophobicContact CG1-CG2 4.03Å; M232-T242 HydrophobicContact SD-CG2 3.99Å; Y238-T242 WeakPolarHBondContact O-CB 3.1Å; Y238-T242 VanDerWaalsContact O-CG2 3.23Å; Y238-T242 WeakPolarHBondContact O-CG2 3.33Å; Y238-T242 PolarHBondContact O-N 2.94Å; Y238-T242 PolarHBondContact O-OG1 3.07Å; D239-T242 PolarHBondContact O-OG1 2.83Å; D239-T242 VanDerWaalsContact O-OG1 3.09Å; T242-V244 VanDerWaalsContact C-N 3.29Å; T242-V244 PolarHBondContact O-N 2.66Å; T242-V245 PolarHBondContact O-N 3.34Å; T242-F246 HydrophobicContact CG2-CD2 4.44Å; T242-F246 WeakPolarHBondContact O-CA 3.45Å; T242-F246 PolarHBondContact O-N 3.31Å; T242-I251 VanDerWaalsContact OG1-CD1 3.27Å; T242-I251 WeakPolarHBondContact OG1-CD1 3.42Å
243K93Very high93.6Very high127 Ų12739.1 Ų39.155%0.55222%0.222SC*.Hα-helixtrans-61.1-36.2174.6-73.4171.2179.11660113.1D239 V241 I251D239-K243 VanDerWaalsContact CG-NZ 3.32Å; D239-K243 WeakPolarHBondContact O-CG 3.42Å; D239-K243 PolarHBondContact O-N 2.85Å; D239-K243 WeakPolarHBondContact OD1-CE 3.22Å; D239-K243 IonicContact OD1-NZ 2.76Å; D239-K243 PolarHBondContact OD1-NZ 3.27Å; D239-K243 WeakPolarHBondContact OD2-CE 3.45Å; D239-K243 IonicContact OD2-NZ 3.73Å; D239-K243 PolarHBondContact OD2-NZ 2.64Å; V241-K243 VanDerWaalsContact C-N 3.33Å; V241-K243 PolarHBondContact O-N 2.82Å; K243-I251 HydrophobicContact CG-CD1 4.05Å
244V95.5Very high93.7Very high79 Ų7938.7 Ų38.748%0.47922%0.219SC..Hα-helixtrans-74.9-44178.3172.50000111.3M217 S240 V241 T242M217-V244 HydrophobicContact CE-CG1 4.13Å; S240-V244 WeakPolarHBondContact O-CG2 3.39Å; S240-V244 PolarHBondContact O-N 2.83Å; V241-V244 WeakPolarHBondContact O-CB 3.46Å; V241-V244 PolarHBondContact O-N 2.88Å; T242-V244 VanDerWaalsContact C-N 3.29Å; T242-V244 PolarHBondContact O-N 2.66Å
245V97.6Very high94Very high0 Ų039.8 Ų39.80%022%0.222CC..Hα-helixtrans-87.4-31-171.4-56.10000113.1I213 F216 R224 V241 T242 P247I213-V245 HydrophobicContact CG1-CG1 4.17Å; F216-V245 HydrophobicContact CB-CB 3.83Å; F216-V245 HydrophobicContact CB-CG1 3.85Å; F216-V245 HydrophobicContact CB-CG2 4.16Å; F216-V245 HydrophobicContact CD2-CB 4.4Å; F216-V245 HydrophobicContact CD2-CG1 4.33Å; F216-V245 HydrophobicContact CD2-CG2 3.88Å; F216-V245 HydrophobicContact CG-CB 4.32Å; F216-V245 HydrophobicContact CG-CG1 4.49Å; F216-V245 HydrophobicContact CG-CG2 4.1Å; R224-V245 WeakPolarHBondContact CB-O 3.49Å; R224-V245 WeakPolarHBondContact CD-O 3.29Å; R224-V245 PolarHBondContact NH1-O 3.19Å; R224-V245 VanDerWaalsContact NH1-O 3.12Å; V241-V245 HydrophobicContact CG1-CG1 4.25Å; V241-V245 HydrophobicContact CG1-CG2 4.29Å; V241-V245 WeakPolarHBondContact O-CG2 3.37Å; V241-V245 PolarHBondContact O-N 2.81Å; T242-V245 PolarHBondContact O-N 3.34Å; V245-P247 WeakPolarHBondContact O-CD 3.24Å
246F97.9Very high94.4Very high4 Ų441.9 Ų41.92%0.01823%0.229CC..  trans-122.680.4-176.8-53.3-49.2000111.5L169 L173 F216 R224 V227 V230 T242 N248 A249L169-F246 HydrophobicContact CD1-CE1 3.83Å; L173-F246 HydrophobicContact CD1-CE1 4.34Å; L173-F246 HydrophobicContact CD1-CE2 3.89Å; L173-F246 HydrophobicContact CD1-CZ 3.68Å; F216-F246 HydrophobicContact CD1-CE1 4.02Å; F216-F246 AromaticContact CD1-CZ 3.56Å; F216-F246 HydrophobicContact CD1-CZ 3.56Å; F216-F246 HydrophobicContact CD2-CZ 4.36Å; F216-F246 HydrophobicContact CE1-CE1 4.35Å; F216-F246 HydrophobicContact CE1-CE2 4.35Å; F216-F246 AromaticContact CE1-CZ 3.51Å; F216-F246 HydrophobicContact CE1-CZ 3.51Å; F216-F246 HydrophobicContact CE2-CZ 4.31Å; F216-F246 HydrophobicContact CG-CE1 4.44Å; F216-F246 HydrophobicContact CG-CZ 4.02Å; F216-F246 HydrophobicContact CZ-CE2 4.31Å; F216-F246 AromaticContact CZ-CZ 3.9Å; F216-F246 HydrophobicContact CZ-CZ 3.9Å; R224-F246 HydrophobicContact CB-CD1 4.38Å; V227-F246 HydrophobicContact CB-CB 4.31Å; V227-F246 HydrophobicContact CB-CD1 3.86Å; V227-F246 HydrophobicContact CB-CE1 4.41Å; V227-F246 HydrophobicContact CB-CG 4.09Å; V227-F246 HydrophobicContact CG1-CB 4.36Å; V227-F246 HydrophobicContact CG1-CD1 4.2Å; V227-F246 HydrophobicContact CG1-CD2 4.31Å; V227-F246 HydrophobicContact CG1-CG 4.03Å; V227-F246 HydrophobicContact CG2-CD1 3.69Å; V227-F246 HydrophobicContact CG2-CE1 3.8Å; V227-F246 HydrophobicContact CG2-CG 4.36Å; V230-F246 HydrophobicContact CG2-CD2 3.75Å; V230-F246 HydrophobicContact CG2-CE2 4.18Å; T242-F246 HydrophobicContact CG2-CD2 4.44Å; T242-F246 WeakPolarHBondContact O-CA 3.45Å; T242-F246 PolarHBondContact O-N 3.31Å; F246-N248 PolarHBondContact O-N 2.9Å; F246-N248 VanDerWaalsContact O-N 3.1Å; F246-A249 HydrophobicContact CB-CB 3.6Å; F246-A249 PolarHBondContact O-N 2.84Å; F246-A249 VanDerWaalsContact O-N 3.13Å
247P95.7Very high95.1Very high61 Ų6140.1 Ų40.140%0.39621%0.208SC..THydrogen-bonded Turntrans-63.4-24-169.125.3-36.6000114.7Y221 K225 V245Y221-P247 HydrophobicContact CE2-CG 4.04Å; K225-P247 HydrophobicContact CG-CG 3.71Å; V245-P247 WeakPolarHBondContact O-CD 3.24Å
248N96.8Very high95.5Very high90 Ų9039.2 Ų39.248%0.48120%0.199SC..THydrogen-bonded Turntrans-102.2-2-178.5-67.3-12.1000113.4K225 F246K225-N248 PolarHBondContact O-ND2 2.98Å; F246-N248 PolarHBondContact O-N 2.9Å; F246-N248 VanDerWaalsContact O-N 3.1Å
249A97.9Very high95.8Very high20 Ų2040.2 Ų40.217%0.16520%0.204CC..PPolyproline II helixtrans-77.9131.8-172.200000111.6V227 V230 F246V227-A249 HydrophobicContact CG1-CB 4.1Å; V230-A249 HydrophobicContact CG2-CB 3.94Å; F246-A249 HydrophobicContact CB-CB 3.6Å; F246-A249 PolarHBondContact O-N 2.84Å; F246-A249 VanDerWaalsContact O-N 3.13Å
250R97.5Very high96.1Very high119 Ų11940.3 Ų40.345%0.44920%0.203SC..EExtended strand (participates in β ladder)trans-80127.2164.1-64.4-176.6-169.782.9-2.8109S228 H229 V230 Y394S228-R250 PolarHBondContact O-N 3.06Å; H229-R250 CarbonylContact C-O 3.56Å; H229-R250 VanDerWaalsContact CA-O 3.25Å; H229-R250 WeakPolarHBondContact CA-O 3.34Å; H229-R250 WeakPolarHBondContact NE2-CB 3.26Å; V230-R250 PolarHBondContact N-O 3.27Å; R250-Y394 WeakPolarHBondContact CD-OH 3.42Å; R250-Y394 PolarHBondContact NE-OH 3.06Å
251I97.3Very high96.3Very high17 Ų1739.1 Ų39.19%0.08719%0.191CC..EExtended strand (participates in β ladder)trans-89.1132.3177.8-62.7169.9000108.3V230 M232 D239 T242 K243 A387 N390V230-I251 CarbonylContact O-C 3.46Å; V230-I251 WeakPolarHBondContact O-CA 3.33Å; M232-I251 HydrophobicContact CE-CD1 4.28Å; M232-I251 HydrophobicContact CE-CG2 3.27Å; M232-I251 HydrophobicContact CG-CG2 4.08Å; M232-I251 HydrophobicContact SD-CG2 3.87Å; D239-I251 WeakPolarHBondContact OD1-CD1 3.49Å; T242-I251 VanDerWaalsContact OG1-CD1 3.27Å; T242-I251 WeakPolarHBondContact OG1-CD1 3.42Å; K243-I251 HydrophobicContact CG-CD1 4.05Å; I251-A387 HydrophobicContact CB-CB 4.38Å; I251-A387 HydrophobicContact CG2-CB 3.93Å; I251-A387 VanDerWaalsContact O-CA 3.25Å; I251-A387 WeakPolarHBondContact O-CA 3.08Å; I251-A387 WeakPolarHBondContact O-CB 3.49Å; I251-N390 WeakPolarHBondContact O-CB 3.44Å; I251-N390 PolarHBondContact O-ND2 2.99Å
252S97.5Very high96.5Very high1 Ų139 Ų391%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-118.2129.3170.1-68.10000109.9V230 V231 M232 A387 N390V230-S252 PolarHBondContact O-N 3.34Å; V231-S252 VanDerWaalsContact CA-O 3.31Å; V231-S252 WeakPolarHBondContact CA-O 3.38Å; M232-S252 PolarHBondContact N-O 3.42Å; S252-A387 WeakPolarHBondContact CA-O 3.4Å; S252-N390 WeakPolarHBondContact OG-CB 3.47Å
253I97.5Very high96.6Very high1 Ų141.2 Ų41.21%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-73.9135.1169.3-65.7-52.7000109M232 M234 R255 H257 V258 H384 A387 I388 A391M232-I253 HydrophobicContact CG-CD1 4.48Å; M232-I253 CarbonylContact O-C 3.58Å; M232-I253 VanDerWaalsContact O-CA 3.3Å; M232-I253 WeakPolarHBondContact O-CA 3.5Å; M234-I253 HydrophobicContact CG-CB 4.47Å; M234-I253 HydrophobicContact CG-CD1 3.89Å; M234-I253 HydrophobicContact CG-CG1 4.02Å; M234-I253 HydrophobicContact CG-CG2 3.56Å; M234-I253 HydrophobicContact SD-CG2 4.32Å; I253-R255 PolarHBondContact O-N 3.41Å; I253-H257 HydrophobicContact CG2-CB 4.42Å; I253-V258 HydrophobicContact CG2-CG2 3.83Å; I253-H384 HydrophobicContact CG1-CB 4.01Å; I253-A387 HydrophobicContact CD1-CB 4.21Å; I253-A387 HydrophobicContact CG1-CB 3.71Å; I253-A387 PolarHBondContact N-O 2.85Å; I253-A387 VanDerWaalsContact N-O 3.07Å; I253-I388 HydrophobicContact CB-CG1 4.13Å; I253-I388 HydrophobicContact CG1-CG1 4.19Å; I253-A391 WeakPolarHBondContact O-CB 3.3Å
254D96.1Very high96.8Very high9 Ų942 Ų425%0.04820%0.201CC..  trans-61.6130.4174.1-17646.9000111.7V231 M232 F256 H257 N398V231-D254 HydrophobicContact CG1-CB 4.13Å; M232-D254 PolarHBondContact O-N 3.11Å; D254-F256 PolarHBondContact O-N 3.04Å; D254-F256 WeakPolarHBondContact OD2-CB 3.39Å; D254-H257 WeakPolarHBondContact O-CB 3.42Å; D254-H257 PolarHBondContact O-N 3.49Å; D254-H257 IonicContact OD2-CD2 3.61Å; D254-N398 HydrophobicContact CB-CB 3.9Å; D254-N398 PolarHBondContact OD1-N 2.84Å
255R96.7Very high96.9Very high48 Ų4838.5 Ų38.518%0.18118%0.181CC..Hα-helixtrans-61.3-34-170.5-64.2-178.2-169.794.3-0.6112.2I253 H257 V258 I259 F351 A391 Y394 Y396I253-R255 PolarHBondContact O-N 3.41Å; R255-H257 PolarHBondContact O-N 3.33Å; R255-V258 PolarHBondContact O-N 3Å; R255-I259 WeakPolarHBondContact O-CG1 3.38Å; R255-I259 PolarHBondContact O-N 3.38Å; R255-I259 VanDerWaalsContact O-N 3.14Å; R255-F351 HydrophobicContact CB-CE1 3.95Å; R255-F351 HydrophobicContact CB-CZ 3.93Å; R255-F351 HydrophobicContact CG-CE1 4.25Å; R255-F351 HydrophobicContact CG-CZ 4.03Å; R255-A391 HydrophobicContact CG-CB 4.28Å; R255-A391 PolarHBondContact NE-O 2.93Å; R255-A391 PolarHBondContact NH2-O 3.01Å; R255-Y394 PolarHBondContact NH2-O 2.78Å; R255-Y396 PolarHBondContact NH1-O 3.35Å
256F94.4Very high96.9Very high99 Ų9938.5 Ų38.543%0.43418%0.181SC..Hα-helixtrans-58.5-37.7176.7173.1-104000111.6D254 I259 Q260D254-F256 PolarHBondContact O-N 3.04Å; D254-F256 WeakPolarHBondContact OD2-CB 3.39Å; F256-I259 PolarHBondContact O-N 3.48Å; F256-Q260 WeakPolarHBondContact O-CB 3.45Å; F256-Q260 PolarHBondContact O-N 3.13Å
257H94.5Very high96.9Very high35 Ų3540.4 Ų40.416%0.16219%0.191CC..Hα-helixtrans-70.3-33.6-179.6-73.8-94000112.7D233 M234 I253 D254 R255 Q261D233-H257 IonicContact OD1-CD2 2.79Å; D233-H257 PolarHBondContact OD1-CD2 2.86Å; D233-H257 IonicContact OD1-CE1 3.09Å; D233-H257 IonicContact OD1-CG 3.85Å; D233-H257 IonicContact OD1-NE2 3.33Å; D233-H257 PolarHBondContact OD1-NE2 3.18Å; D233-H257 IonicContact OD2-CE1 3.81Å; D233-H257 PolarHBondContact OD2-CE1 3.3Å; D233-H257 IonicContact OD2-ND1 3.79Å; D233-H257 IonicContact OD2-NE2 3.32Å; D233-H257 PolarHBondContact OD2-NE2 3.38Å; M234-H257 HydrophobicContact CE-CB 4.13Å; M234-H257 WeakPolarHBondContact CE-O 3.37Å; I253-H257 HydrophobicContact CG2-CB 4.42Å; D254-H257 WeakPolarHBondContact O-CB 3.42Å; D254-H257 PolarHBondContact O-N 3.49Å; D254-H257 IonicContact OD2-CD2 3.61Å; R255-H257 PolarHBondContact O-N 3.33Å; H257-Q261 WeakPolarHBondContact O-CB 3.24Å; H257-Q261 PolarHBondContact O-N 3.36Å
258V97.1Very high97Very high0 Ų044.2 Ų44.20%020%0.202CC..Hα-helixtrans-65.3-50.5173.2-174.20000110.2I253 R255 Q260 Q261 L262 F351 F359 L381 I388I253-V258 HydrophobicContact CG2-CG2 3.83Å; R255-V258 PolarHBondContact O-N 3Å; V258-Q260 VanDerWaalsContact C-N 3.3Å; V258-Q260 PolarHBondContact O-N 3.1Å; V258-Q261 WeakPolarHBondContact O-CB 3.21Å; V258-Q261 PolarHBondContact O-N 3.28Å; V258-Q261 VanDerWaalsContact O-N 3.12Å; V258-L262 WeakPolarHBondContact O-CG 3.39Å; V258-L262 PolarHBondContact O-N 2.96Å; V258-F351 HydrophobicContact CB-CE2 3.77Å; V258-F351 HydrophobicContact CB-CZ 3.83Å; V258-F351 HydrophobicContact CG1-CD2 3.98Å; V258-F351 HydrophobicContact CG1-CE2 3.5Å; V258-F351 HydrophobicContact CG1-CZ 4.07Å; V258-F351 HydrophobicContact CG2-CE2 4.08Å; V258-F351 HydrophobicContact CG2-CZ 4.16Å; V258-F359 HydrophobicContact CG1-CZ 4.21Å; V258-L381 HydrophobicContact CG1-CD1 4.38Å; V258-L381 HydrophobicContact CG1-CD2 4.21Å; V258-I388 HydrophobicContact CG2-CD1 4.12Å; V258-I388 HydrophobicContact CG2-CG1 3.89Å; V258-I388 HydrophobicContact CG2-CG2 4.48Å
259I96.7Very high97Very high26 Ų2640.3 Ų40.313%0.13318%0.18CC..Hα-helixtrans-60.6-41.9176.9-61.7-62.8000111R255 F256 Q261 L262 N263 L348 F351R255-I259 WeakPolarHBondContact O-CG1 3.38Å; R255-I259 PolarHBondContact O-N 3.38Å; R255-I259 VanDerWaalsContact O-N 3.14Å; F256-I259 PolarHBondContact O-N 3.48Å; I259-Q261 VanDerWaalsContact C-N 3.31Å; I259-Q261 PolarHBondContact O-N 3.26Å; I259-L262 PolarHBondContact O-N 3.41Å; I259-N263 WeakPolarHBondContact O-CB 3.46Å; I259-N263 PolarHBondContact O-N 2.86Å; I259-N263 PolarHBondContact O-ND2 2.84Å; I259-N263 PolarHBondContact O-OD1 2.89Å; I259-L348 HydrophobicContact CD1-CD2 3.54Å; I259-L348 HydrophobicContact CG2-CD2 4.36Å; I259-F351 HydrophobicContact CD1-CD1 3.56Å; I259-F351 HydrophobicContact CD1-CE1 3.89Å; I259-F351 HydrophobicContact CD1-CG 4.15Å; I259-F351 HydrophobicContact CG1-CD1 4.19Å; I259-F351 HydrophobicContact CG1-CE1 4Å
260Q96.2Very high97Very high41 Ų4140.2 Ų40.219%0.19218%0.176CC..Hα-helixtrans-62.1-38.9176.8-176.2-178.176.600111.6F256 V258 R264F256-Q260 WeakPolarHBondContact O-CB 3.45Å; F256-Q260 PolarHBondContact O-N 3.13Å; V258-Q260 VanDerWaalsContact C-N 3.3Å; V258-Q260 PolarHBondContact O-N 3.1Å; Q260-R264 HydrophobicContact CG-CG 4.45Å; Q260-R264 VanDerWaalsContact O-CB 3.29Å; Q260-R264 WeakPolarHBondContact O-CB 3.46Å; Q260-R264 WeakPolarHBondContact O-CG 3.37Å; Q260-R264 PolarHBondContact O-N 3.03Å
261Q97Very high97Very high37 Ų3737.8 Ų37.817%0.17317%0.171CC..Hα-helixtrans-64.2-47175.7177.5639.200111.5M234 H257 V258 I259 R264 A265 A377 L381M234-Q261 HydrophobicContact CE-CB 3.87Å; M234-Q261 HydrophobicContact CE-CG 4.38Å; H257-Q261 WeakPolarHBondContact O-CB 3.24Å; H257-Q261 PolarHBondContact O-N 3.36Å; V258-Q261 WeakPolarHBondContact O-CB 3.21Å; V258-Q261 PolarHBondContact O-N 3.28Å; V258-Q261 VanDerWaalsContact O-N 3.12Å; I259-Q261 VanDerWaalsContact C-N 3.31Å; I259-Q261 PolarHBondContact O-N 3.26Å; Q261-R264 PolarHBondContact O-N 3.41Å; Q261-A265 WeakPolarHBondContact O-CB 3.18Å; Q261-A265 PolarHBondContact O-N 3.07Å; Q261-A377 PolarHBondContact NE2-O 3.44Å; Q261-L381 HydrophobicContact CB-CD2 4.34Å; Q261-L381 HydrophobicContact CG-CD2 3.92Å
262L97.9Very high96.9Very high0 Ų040.4 Ų40.40%018%0.182CC..Hα-helixtrans-58.7-49.3175.3-65.1177.9000111.3V258 I259 R264 A265 F266 Y344 L347 L348 F359 I378 L381V258-L262 WeakPolarHBondContact O-CG 3.39Å; V258-L262 PolarHBondContact O-N 2.96Å; I259-L262 PolarHBondContact O-N 3.41Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.48Å; L262-A265 PolarHBondContact O-N 3.33Å; L262-F266 PolarHBondContact O-N 2.91Å; L262-Y344 HydrophobicContact CB-CD2 4.09Å; L262-Y344 HydrophobicContact CB-CE2 4.11Å; L262-L347 HydrophobicContact CD1-CB 4.18Å; L262-L347 HydrophobicContact CD2-CB 4.42Å; L262-L347 HydrophobicContact CD2-CD1 3.89Å; L262-L348 HydrophobicContact CD1-CD2 3.96Å; L262-L348 HydrophobicContact CD1-CG 4.48Å; L262-F359 HydrophobicContact CD1-CE2 4.31Å; L262-I378 HydrophobicContact CD2-CD1 3.58Å; L262-L381 HydrophobicContact CD2-CD1 3.85Å
263N97.4Very high96.9Very high52 Ų5240.6 Ų40.628%0.27818%0.183SC..Hα-helixtrans-59.4-42.3178-68.9-7.2000112I259 N267 Y344I259-N263 WeakPolarHBondContact O-CB 3.46Å; I259-N263 PolarHBondContact O-N 2.86Å; I259-N263 PolarHBondContact O-ND2 2.84Å; I259-N263 PolarHBondContact O-OD1 2.89Å; N263-N267 WeakPolarHBondContact O-CB 3.34Å; N263-N267 PolarHBondContact O-N 3.39Å; N263-Y344 VanDerWaalsContact OD1-CE2 3.3Å; N263-Y344 WeakPolarHBondContact OD1-CE2 3.41Å; N263-Y344 PolarHBondContact OD1-OH 3.48Å
264R97.6Very high96.8Very high142 Ų14241 Ų4154%0.53619%0.185SC..Hα-helixtrans-66.9-43.8178.1-78.8173.5177.3158.22.7111.6Q260 Q261 L262 K268Q260-R264 HydrophobicContact CG-CG 4.45Å; Q260-R264 VanDerWaalsContact O-CB 3.29Å; Q260-R264 WeakPolarHBondContact O-CB 3.46Å; Q260-R264 WeakPolarHBondContact O-CG 3.37Å; Q260-R264 PolarHBondContact O-N 3.03Å; Q261-R264 PolarHBondContact O-N 3.41Å; L262-R264 VanDerWaalsContact C-N 3.33Å; L262-R264 PolarHBondContact O-N 3.48Å; R264-K268 VanDerWaalsContact O-CB 3.31Å; R264-K268 WeakPolarHBondContact O-CB 3.33Å; R264-K268 PolarHBondContact O-N 3.09Å
265A97.8Very high96.8Very high7 Ų745.2 Ų45.26%0.05821%0.207CC..Hα-helixtrans-58.1-51.7177.200000110.5Q261 L262 K268 Q269 F374 A377 I378Q261-A265 WeakPolarHBondContact O-CB 3.18Å; Q261-A265 PolarHBondContact O-N 3.07Å; L262-A265 PolarHBondContact O-N 3.33Å; A265-K268 WeakPolarHBondContact O-CB 3.41Å; A265-K268 PolarHBondContact O-N 3.42Å; A265-Q269 PolarHBondContact O-N 3.41Å; A265-Q269 VanDerWaalsContact O-N 3.08Å; A265-F374 HydrophobicContact CB-CD2 3.95Å; A265-F374 HydrophobicContact CB-CE2 3.94Å; A265-A377 HydrophobicContact CB-CB 3.66Å; A265-I378 HydrophobicContact CB-CD1 4.15Å
266F98.2Very high96.7Very high0 Ų049.2 Ų49.20%023%0.228CC..Hα-helixtrans-70.7-38.9-178.3-176.9-121000112.8L262 K268 Q269 R270 I298 L299 L337 Y341 Y344 F374L262-F266 PolarHBondContact O-N 2.91Å; F266-K268 PolarHBondContact O-N 3.02Å; F266-Q269 HydrophobicContact CD2-CB 4.43Å; F266-Q269 WeakPolarHBondContact O-CB 3.37Å; F266-Q269 PolarHBondContact O-N 3.42Å; F266-Q269 VanDerWaalsContact O-N 3.09Å; F266-R270 PolarHBondContact O-N 2.9Å; F266-I298 HydrophobicContact CD1-CG2 4.4Å; F266-I298 HydrophobicContact CE1-CG2 3.29Å; F266-I298 WeakPolarHBondContact CE1-O 3.38Å; F266-I298 HydrophobicContact CZ-CG2 3.59Å; F266-L299 HydrophobicContact CD1-CD2 3.46Å; F266-L299 VanDerWaalsContact CD1-CD2 3.46Å; F266-L299 HydrophobicContact CE1-CD2 3.96Å; F266-L299 HydrophobicContact CG-CD2 4.46Å; F266-L337 HydrophobicContact CE2-CD1 3.77Å; F266-L337 HydrophobicContact CZ-CD1 3.97Å; F266-Y341 AromaticContact CE1-CD2 3.62Å; F266-Y341 HydrophobicContact CE1-CD2 3.62Å; F266-Y341 HydrophobicContact CE1-CE2 4.37Å; F266-Y341 HydrophobicContact CE2-CD2 4.35Å; F266-Y341 AromaticContact CZ-CD2 3.49Å; F266-Y341 HydrophobicContact CZ-CD2 3.49Å; F266-Y341 VanDerWaalsContact CZ-CD2 3.49Å; F266-Y341 HydrophobicContact CZ-CG 4.09Å; F266-Y344 HydrophobicContact CB-CD1 4.22Å; F266-Y344 HydrophobicContact CB-CD2 3.86Å; F266-Y344 HydrophobicContact CB-CE2 4.32Å; F266-Y344 HydrophobicContact CB-CG 3.79Å; F266-Y344 AromaticContact CD1-CD1 3.43Å; F266-Y344 HydrophobicContact CD1-CD1 3.43Å; F266-Y344 VanDerWaalsContact CD1-CD1 3.43Å; F266-Y344 AromaticContact CD1-CE1 3.63Å; F266-Y344 HydrophobicContact CD1-CE1 3.63Å; F266-Y344 AromaticContact CD1-CG 3.9Å; F266-Y344 HydrophobicContact CD1-CG 3.9Å; F266-Y344 HydrophobicContact CD2-CG 4.48Å; F266-Y344 AromaticContact CE1-CD1 3.94Å; F266-Y344 HydrophobicContact CE1-CD1 3.94Å; F266-Y344 HydrophobicContact CE1-CE1 4.18Å; F266-Y344 AromaticContact CG-CD1 3.82Å; F266-Y344 HydrophobicContact CG-CD1 3.82Å; F266-Y344 HydrophobicContact CG-CD2 4.35Å; F266-Y344 HydrophobicContact CG-CE1 4.36Å; F266-Y344 AromaticContact CG-CG 3.8Å; F266-Y344 HydrophobicContact CG-CG 3.8Å; F266-F374 HydrophobicContact CB-CE2 3.93Å; F266-F374 HydrophobicContact CD2-CE2 4.31Å
267N97.8Very high96.7Very high43 Ų4345.8 Ų45.823%0.2321%0.214CC..Hα-helixtrans-63.2-32.7174-17239.8000112.1N263 R270 I271 L299N263-N267 WeakPolarHBondContact O-CB 3.34Å; N263-N267 PolarHBondContact O-N 3.39Å; N267-R270 PolarHBondContact O-N 2.9Å; N267-R270 PolarHBondContact OD1-NE 3.02Å; N267-R270 PolarHBondContact OD1-NH2 2.6Å; N267-I271 VanDerWaalsContact O-CG1 3.3Å; N267-I271 WeakPolarHBondContact O-CG1 3.46Å; N267-I271 PolarHBondContact O-N 3.06Å; N267-L299 HydrophobicContact CB-CD1 3.99Å; N267-L299 HydrophobicContact CB-CD2 4.05Å
268K97.5Very high96.5Very high142 Ų14251.6 Ų51.662%0.61724%0.239SC*.Hα-helixtrans-66-40.7172.5-171.5176.4-179.2-179.90111.2R264 A265 F266 I271 K272R264-K268 VanDerWaalsContact O-CB 3.31Å; R264-K268 WeakPolarHBondContact O-CB 3.33Å; R264-K268 PolarHBondContact O-N 3.09Å; A265-K268 WeakPolarHBondContact O-CB 3.41Å; A265-K268 PolarHBondContact O-N 3.42Å; F266-K268 PolarHBondContact O-N 3.02Å; K268-I271 PolarHBondContact O-N 3.41Å; K268-K272 WeakPolarHBondContact O-CB 3.13Å; K268-K272 PolarHBondContact O-N 3.12Å
269Q97.2Very high96Very high7 Ų757.9 Ų57.93%0.03327%0.266CS..Hα-helixtrans-58.9-47.9172.3-175.662.913.400111.4A265 F266 I271 K272 T273 L337 D371 F374A265-Q269 PolarHBondContact O-N 3.41Å; A265-Q269 VanDerWaalsContact O-N 3.08Å; F266-Q269 HydrophobicContact CD2-CB 4.43Å; F266-Q269 WeakPolarHBondContact O-CB 3.37Å; F266-Q269 PolarHBondContact O-N 3.42Å; F266-Q269 VanDerWaalsContact O-N 3.09Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; Q269-I271 PolarHBondContact O-N 3.35Å; Q269-K272 WeakPolarHBondContact O-CA 3.46Å; Q269-K272 WeakPolarHBondContact O-CB 3.22Å; Q269-K272 PolarHBondContact O-N 3.47Å; Q269-T273 PolarHBondContact O-N 3.41Å; Q269-T273 PolarHBondContact O-OG1 3.43Å; Q269-L337 HydrophobicContact CG-CD1 4.13Å; Q269-D371 VanDerWaalsContact OE1-CB 3.25Å; Q269-F374 HydrophobicContact CB-CD2 4.3Å
270R97.5Very high95.8Very high18 Ų1862.1 Ų62.17%0.06830%0.298CS..Hα-helixtrans-56.1-44.4175.4-174.3-165.164.777.212112.7F266 N267 K272 T273 M274 L291 I298 L337F266-R270 PolarHBondContact O-N 2.9Å; N267-R270 PolarHBondContact O-N 2.9Å; N267-R270 PolarHBondContact OD1-NE 3.02Å; N267-R270 PolarHBondContact OD1-NH2 2.6Å; R270-K272 VanDerWaalsContact C-N 3.34Å; R270-T273 PolarHBondContact O-N 3.26Å; R270-M274 PolarHBondContact NH1-SD 2.9Å; R270-M274 WeakPolarHBondContact O-CG 3.43Å; R270-M274 PolarHBondContact O-N 3.32Å; R270-L291 HydrophobicContact CG-CD2 4.42Å; R270-L291 PolarHBondContact NH1-O 3.08Å; R270-I298 HydrophobicContact CG-CD1 4.25Å; R270-L337 HydrophobicContact CB-CD1 4.14Å
271I97.2Very high95.7Very high68 Ų6863.3 Ų63.335%0.34931%0.306SS..Hα-helixtrans-66.3-38177.4-67.7166.7000110.8N267 K268 Q269 M274 N275N267-I271 VanDerWaalsContact O-CG1 3.3Å; N267-I271 WeakPolarHBondContact O-CG1 3.46Å; N267-I271 PolarHBondContact O-N 3.06Å; K268-I271 PolarHBondContact O-N 3.41Å; Q269-I271 VanDerWaalsContact C-N 3.33Å; Q269-I271 PolarHBondContact O-N 3.35Å; I271-M274 WeakPolarHBondContact O-CB 3.3Å; I271-M274 PolarHBondContact O-N 3.13Å; I271-N275 VanDerWaalsContact O-CG 3.32Å; I271-N275 PolarHBondContact O-N 3.28Å; I271-N275 PolarHBondContact O-ND2 2.88Å
272K96.2Very high95.6Very high72 Ų7266 Ų6631%0.31333%0.327SS..Hα-helixtrans-61.7-49.8175.3-176.9173.7177.7170.90111.2K268 Q269 R270 M274 N275 H276 D371K268-K272 WeakPolarHBondContact O-CB 3.13Å; K268-K272 PolarHBondContact O-N 3.12Å; Q269-K272 WeakPolarHBondContact O-CA 3.46Å; Q269-K272 WeakPolarHBondContact O-CB 3.22Å; Q269-K272 PolarHBondContact O-N 3.47Å; R270-K272 VanDerWaalsContact C-N 3.34Å; K272-M274 VanDerWaalsContact C-N 3.28Å; K272-M274 PolarHBondContact O-N 3.1Å; K272-N275 PolarHBondContact O-N 2.88Å; K272-H276 WeakPolarHBondContact CE-CE1 3.26Å; K272-H276 PolarHBondContact O-N 3.25Å; K272-D371 WeakPolarHBondContact CE-OD2 3.43Å; K272-D371 IonicContact NZ-OD1 3.69Å; K272-D371 IonicContact NZ-OD2 2.61Å; K272-D371 PolarHBondContact NZ-OD2 2.91Å
273T96.3Very high95.4Very high5 Ų570.2 Ų70.23%0.03135%0.346CS..Hα-helixtrans-54.2-45.5173.5-56.90000111.1Q269 R270 N275 H276 L277 L291 I333 D334 L337Q269-T273 PolarHBondContact O-N 3.41Å; Q269-T273 PolarHBondContact O-OG1 3.43Å; R270-T273 PolarHBondContact O-N 3.26Å; T273-N275 VanDerWaalsContact C-N 3.32Å; T273-N275 PolarHBondContact O-N 3.26Å; T273-H276 PolarHBondContact O-N 3.17Å; T273-L277 PolarHBondContact O-N 2.99Å; T273-L291 HydrophobicContact CG2-CD1 3.99Å; T273-I333 HydrophobicContact CG2-CG2 4.26Å; T273-D334 HydrophobicContact CG2-CB 3.39Å; T273-D334 PolarHBondContact OG1-OD2 3.09Å; T273-L337 HydrophobicContact CG2-CD2 4.26Å
274M96.4Very high95.3Very high11 Ų1168.1 Ų68.15%0.05434%0.336CS..Hα-helixtrans-59.5-40.5175.7-75.2175.656.100113.1R270 I271 K272 H276 L277 Y288 L291 K292R270-M274 PolarHBondContact NH1-SD 2.9Å; R270-M274 WeakPolarHBondContact O-CG 3.43Å; R270-M274 PolarHBondContact O-N 3.32Å; I271-M274 WeakPolarHBondContact O-CB 3.3Å; I271-M274 PolarHBondContact O-N 3.13Å; K272-M274 VanDerWaalsContact C-N 3.28Å; K272-M274 PolarHBondContact O-N 3.1Å; M274-H276 VanDerWaalsContact C-N 3.34Å; M274-L277 PolarHBondContact O-N 2.84Å; M274-Y288 HydrophobicContact CB-CD2 3.87Å; M274-Y288 HydrophobicContact CB-CE2 3.93Å; M274-Y288 HydrophobicContact CE-CD1 4.43Å; M274-Y288 HydrophobicContact CE-CD2 3.88Å; M274-Y288 HydrophobicContact CE-CE1 4.05Å; M274-Y288 HydrophobicContact CE-CE2 3.4Å; M274-Y288 VanDerWaalsContact CE-CE2 3.4Å; M274-Y288 HydrophobicContact CE-CG 4.37Å; M274-Y288 HydrophobicContact CG-CD2 4.31Å; M274-Y288 WeakPolarHBondContact O-CD2 3.39Å; M274-L291 HydrophobicContact CG-CB 3.58Å; M274-L291 HydrophobicContact CG-CD1 3.77Å; M274-L291 HydrophobicContact CG-CG 4.32Å; M274-L291 HydrophobicContact SD-CB 3.96Å; M274-K292 HydrophobicContact CE-CB 3.68Å; M274-K292 HydrophobicContact CE-CD 4.36Å; M274-K292 HydrophobicContact CE-CG 4.08Å; M274-K292 HydrophobicContact SD-CB 4.37Å
275N95.3Very high95.2Very high96 Ų9663.2 Ų63.251%0.51332%0.32SS..Hα-helixtrans-75.4-23.2-177.5-71.9-21.3000113.2I271 K272 T273 L277I271-N275 VanDerWaalsContact O-CG 3.32Å; I271-N275 PolarHBondContact O-N 3.28Å; I271-N275 PolarHBondContact O-ND2 2.88Å; K272-N275 PolarHBondContact O-N 2.88Å; T273-N275 VanDerWaalsContact C-N 3.32Å; T273-N275 PolarHBondContact O-N 3.26Å; N275-L277 VanDerWaalsContact C-N 3.35Å
276H94.7Very high95.1Very high133 Ų13368.3 Ų68.362%0.61634%0.341SS*.Hα-helixtrans-78.7-16.3173.6-67164.4000113.7K272 T273 M274 K278K272-H276 WeakPolarHBondContact CE-CE1 3.26Å; K272-H276 PolarHBondContact O-N 3.25Å; T273-H276 PolarHBondContact O-N 3.17Å; M274-H276 VanDerWaalsContact C-N 3.34Å; H276-K278 PolarHBondContact O-N 3.43Å
277L93.9Very high95Very high27 Ų2771.4 Ų71.414%0.14135%0.354CS..SBendtrans-68.7126.4174.7-68.4173.1000110.4T273 M274 N275 K279 A284 K287 L291 I333T273-L277 PolarHBondContact O-N 2.99Å; M274-L277 PolarHBondContact O-N 2.84Å; N275-L277 VanDerWaalsContact C-N 3.35Å; L277-K279 PolarHBondContact O-N 3.31Å; L277-A284 HydrophobicContact CB-CB 4.21Å; L277-A284 HydrophobicContact CD2-CB 4.27Å; L277-K287 HydrophobicContact CD1-CB 3.92Å; L277-K287 HydrophobicContact CD2-CD 4.46Å; L277-L291 HydrophobicContact CD1-CD1 4.04Å; L277-I333 HydrophobicContact CD1-CG2 4.42Å; L277-I333 HydrophobicContact CD2-CG2 4.31Å
278K90.5Very high95Very high156 Ų15671.3 Ų71.368%0.67835%0.351SS*.  trans-63107.1176.7-67.5-176.8-178.5-179.90110.1H276 S280 D281 A284H276-K278 PolarHBondContact O-N 3.43Å; K278-S280 PolarHBondContact O-N 2.89Å; K278-D281 HydrophobicContact CB-CB 4.2Å; K278-D281 PolarHBondContact O-N 3.35Å; K278-A284 WeakPolarHBondContact O-CB 3.4Å
279K86.9Confident94.9Very high133 Ų13371.4 Ų71.458%0.57835%0.347SS*.THydrogen-bonded Turntrans-66.5-20.7-176.3-61.6-179.6-176169.60113.7L277 M285L277-K279 PolarHBondContact O-N 3.31Å; K279-M285 HydrophobicContact CB-SD 4.48Å
280S91.7Very high94.9Very high114 Ų11472.1 Ų72.180%0.79735%0.35SS*.THydrogen-bonded Turntrans-76.1-22.7173.849.80000113.5K278 P282K278-S280 PolarHBondContact O-N 2.89Å; S280-P282 WeakPolarHBondContact O-CD 3.32Å
281D95.1Very high94.9Very high66 Ų6671.2 Ų71.235%0.35335%0.347SS..SBendtrans-81.8119175.8164.323.9000110K278 Q283 A284 M285K278-D281 HydrophobicContact CB-CB 4.2Å; K278-D281 PolarHBondContact O-N 3.35Å; D281-Q283 PolarHBondContact O-N 2.79Å; D281-Q283 PolarHBondContact OD1-N 2.97Å; D281-A284 HydrophobicContact CB-CB 3.89Å; D281-A284 PolarHBondContact O-N 3.34Å; D281-A284 WeakPolarHBondContact OD2-CB 3.46Å; D281-A284 PolarHBondContact OD2-N 3.15Å; D281-M285 WeakPolarHBondContact O-CB 3.43Å; D281-M285 PolarHBondContact O-N 3.49Å
282P94Very high94.9Very high95 Ų9574 Ų7462%0.61736%0.356SS*.Hα-helixtrans-55.1-35178.1-26.235.4000114S280 M285 K286S280-P282 WeakPolarHBondContact O-CD 3.32Å; P282-M285 PolarHBondContact O-N 3.24Å; P282-K286 WeakPolarHBondContact O-CG 3.4Å; P282-K286 PolarHBondContact O-N 2.95Å; P282-K286 VanDerWaalsContact O-N 3.07Å
283Q94.2Very high94.9Very high87 Ų8777.1 Ų77.141%0.40737%0.37SS..Hα-helixtrans-76-45.9-178.1-172.663.45.700111.4D281 M285 K286 K287D281-Q283 PolarHBondContact O-N 2.79Å; D281-Q283 PolarHBondContact OD1-N 2.97Å; Q283-M285 PolarHBondContact O-N 2.76Å; Q283-K286 WeakPolarHBondContact O-CB 3.22Å; Q283-K286 PolarHBondContact O-N 3.27Å; Q283-K287 PolarHBondContact O-N 3.11Å; Q283-K287 VanDerWaalsContact O-N 3.13Å
284A95.3Very high94.9Very high8 Ų877.8 Ų77.87%0.06637%0.372CS..Hα-helixtrans-57.3-37.8168.900000111.9L277 K278 D281 K286 K287 Y288L277-A284 HydrophobicContact CB-CB 4.21Å; L277-A284 HydrophobicContact CD2-CB 4.27Å; K278-A284 WeakPolarHBondContact O-CB 3.4Å; D281-A284 HydrophobicContact CB-CB 3.89Å; D281-A284 PolarHBondContact O-N 3.34Å; D281-A284 WeakPolarHBondContact OD2-CB 3.46Å; D281-A284 PolarHBondContact OD2-N 3.15Å; A284-K286 PolarHBondContact O-N 2.99Å; A284-K287 WeakPolarHBondContact O-CB 3.3Å; A284-K287 PolarHBondContact O-N 3.34Å; A284-Y288 PolarHBondContact O-N 3.34Å
285M95.8Very high94.9Very high39 Ų3982 Ų8219%0.19239%0.388CS..Hα-helixtrans-65.6-35.7176.9-166.165.1-130.200112.6K279 D281 P282 Q283 Y288 R289K279-M285 HydrophobicContact CB-SD 4.48Å; D281-M285 WeakPolarHBondContact O-CB 3.43Å; D281-M285 PolarHBondContact O-N 3.49Å; P282-M285 PolarHBondContact O-N 3.24Å; Q283-M285 PolarHBondContact O-N 2.76Å; M285-Y288 HydrophobicContact CE-CD1 3.24Å; M285-Y288 HydrophobicContact CE-CE1 3.79Å; M285-Y288 HydrophobicContact CE-CG 3.89Å; M285-Y288 PolarHBondContact O-N 3.47Å; M285-Y288 HydrophobicContact SD-CD1 4.47Å; M285-R289 HydrophobicContact CE-CG 3.88Å; M285-R289 WeakPolarHBondContact O-CG 2.91Å; M285-R289 PolarHBondContact O-N 3Å
286K95.4Very high94.9Very high115 Ų11586.3 Ų86.350%0.540%0.396SS..Hα-helixtrans-62.8-46.3170.9-71.7171.4-171.1168.40111.2P282 Q283 A284 Y288 R289 K290P282-K286 WeakPolarHBondContact O-CG 3.4Å; P282-K286 PolarHBondContact O-N 2.95Å; P282-K286 VanDerWaalsContact O-N 3.07Å; Q283-K286 WeakPolarHBondContact O-CB 3.22Å; Q283-K286 PolarHBondContact O-N 3.27Å; A284-K286 PolarHBondContact O-N 2.99Å; K286-Y288 VanDerWaalsContact C-N 3.35Å; K286-Y288 PolarHBondContact O-N 3.09Å; K286-R289 PolarHBondContact O-N 3.18Å; K286-K290 WeakPolarHBondContact O-CG 3.22Å; K286-K290 PolarHBondContact O-N 3.44Å; K286-K290 VanDerWaalsContact O-N 3.11Å
287K96.6Very high94.9Very high65 Ų6580.7 Ų80.728%0.28337%0.371SS..Hα-helixtrans-58-45.8175.4-68.2178.1175.4-173.40111.2L277 Q283 A284 R289 K290 L291 I333L277-K287 HydrophobicContact CD1-CB 3.92Å; L277-K287 HydrophobicContact CD2-CD 4.46Å; Q283-K287 PolarHBondContact O-N 3.11Å; Q283-K287 VanDerWaalsContact O-N 3.13Å; A284-K287 WeakPolarHBondContact O-CB 3.3Å; A284-K287 PolarHBondContact O-N 3.34Å; K287-R289 PolarHBondContact O-N 2.78Å; K287-K290 PolarHBondContact O-N 3.08Å; K287-L291 PolarHBondContact O-N 3.34Å; K287-I333 HydrophobicContact CB-CD1 3.95Å; K287-I333 HydrophobicContact CB-CG1 4.23Å; K287-I333 HydrophobicContact CB-CG2 4.24Å; K287-I333 HydrophobicContact CD-CG1 4.2Å; K287-I333 HydrophobicContact CD-CG2 4.08Å; K287-I333 HydrophobicContact CG-CD1 4.26Å; K287-I333 HydrophobicContact CG-CG1 4.1Å
288Y97Very high95Very high41 Ų4179.4 Ų79.416%0.16137%0.365CS..Hα-helixtrans-56.8-48.8175.9176.2-82.1000112.3M274 A284 M285 K286 K290 L291 K292M274-Y288 HydrophobicContact CB-CD2 3.87Å; M274-Y288 HydrophobicContact CB-CE2 3.93Å; M274-Y288 HydrophobicContact CE-CD1 4.43Å; M274-Y288 HydrophobicContact CE-CD2 3.88Å; M274-Y288 HydrophobicContact CE-CE1 4.05Å; M274-Y288 HydrophobicContact CE-CE2 3.4Å; M274-Y288 VanDerWaalsContact CE-CE2 3.4Å; M274-Y288 HydrophobicContact CE-CG 4.37Å; M274-Y288 HydrophobicContact CG-CD2 4.31Å; M274-Y288 WeakPolarHBondContact O-CD2 3.39Å; A284-Y288 PolarHBondContact O-N 3.34Å; M285-Y288 HydrophobicContact CE-CD1 3.24Å; M285-Y288 HydrophobicContact CE-CE1 3.79Å; M285-Y288 HydrophobicContact CE-CG 3.89Å; M285-Y288 PolarHBondContact O-N 3.47Å; M285-Y288 HydrophobicContact SD-CD1 4.47Å; K286-Y288 VanDerWaalsContact C-N 3.35Å; K286-Y288 PolarHBondContact O-N 3.09Å; Y288-K290 VanDerWaalsContact C-N 3.29Å; Y288-K290 PolarHBondContact O-N 3.37Å; Y288-L291 PolarHBondContact O-N 3.19Å; Y288-K292 HydrophobicContact CE1-CD 4.03Å; Y288-K292 WeakPolarHBondContact O-CB 3.22Å; Y288-K292 PolarHBondContact O-N 3.45Å
289R96.5Very high95.2Very high144 Ų14473.3 Ų73.354%0.54334%0.34SS..Hα-helixtrans-61.7-38.8-179.6-71.6173.4-172.8167.63.4111.4M285 K286 K287 K292 K293 L315M285-R289 HydrophobicContact CE-CG 3.88Å; M285-R289 WeakPolarHBondContact O-CG 2.91Å; M285-R289 PolarHBondContact O-N 3Å; K286-R289 PolarHBondContact O-N 3.18Å; K287-R289 PolarHBondContact O-N 2.78Å; R289-K292 PolarHBondContact O-N 3.5Å; R289-K293 VanDerWaalsContact O-CB 3.27Å; R289-K293 WeakPolarHBondContact O-CB 3.43Å; R289-K293 PolarHBondContact O-N 2.93Å; R289-L315 HydrophobicContact CB-CD1 4.04Å; R289-L315 WeakPolarHBondContact O-CD1 3.45Å
290K97.3Very high95.7Very high21 Ų2170.3 Ų70.39%0.09133%0.326CS..Hα-helixtrans-65.6-49.8176.3-71.6178.6172.8-173.10111.9K286 K287 Y288 K292 K293 Y294 L315 F316 Y329 L330K286-K290 WeakPolarHBondContact O-CG 3.22Å; K286-K290 PolarHBondContact O-N 3.44Å; K286-K290 VanDerWaalsContact O-N 3.11Å; K287-K290 PolarHBondContact O-N 3.08Å; Y288-K290 VanDerWaalsContact C-N 3.29Å; Y288-K290 PolarHBondContact O-N 3.37Å; K290-K292 PolarHBondContact O-N 3.29Å; K290-K293 PolarHBondContact O-N 3.1Å; K290-Y294 HydrophobicContact CB-CD2 4.26Å; K290-Y294 HydrophobicContact CB-CE2 4.48Å; K290-Y294 HydrophobicContact CG-CE2 4.34Å; K290-Y294 WeakPolarHBondContact O-CD2 3.36Å; K290-Y294 PolarHBondContact O-N 2.76Å; K290-L315 WeakPolarHBondContact CE-O 3.46Å; K290-L315 HydrophobicContact CG-CB 3.91Å; K290-L315 HydrophobicContact CG-CD1 4.29Å; K290-F316 HydrophobicContact CD-CE1 4.24Å; K290-F316 HydrophobicContact CD-CE2 4.1Å; K290-F316 HydrophobicContact CD-CZ 3.93Å; K290-F316 HydrophobicContact CG-CE2 4.31Å; K290-Y329 HydrophobicContact CD-CD1 3.97Å; K290-Y329 HydrophobicContact CD-CE1 3.3Å; K290-Y329 VanDerWaalsContact NZ-CE1 3.26Å; K290-Y329 PolarHBondContact NZ-OH 2.97Å; K290-Y329 VanDerWaalsContact NZ-OH 3.13Å; K290-L330 HydrophobicContact CB-CD2 3.73Å
291L96.9Very high95.9Very high0 Ų067.3 Ų67.30%030%0.299CS..Hα-helixtrans-58-36174.8-75.2172000112.7R270 T273 M274 L277 K287 Y288 I298 L330 I333 L337R270-L291 HydrophobicContact CG-CD2 4.42Å; R270-L291 PolarHBondContact NH1-O 3.08Å; T273-L291 HydrophobicContact CG2-CD1 3.99Å; M274-L291 HydrophobicContact CG-CB 3.58Å; M274-L291 HydrophobicContact CG-CD1 3.77Å; M274-L291 HydrophobicContact CG-CG 4.32Å; M274-L291 HydrophobicContact SD-CB 3.96Å; L277-L291 HydrophobicContact CD1-CD1 4.04Å; K287-L291 PolarHBondContact O-N 3.34Å; Y288-L291 PolarHBondContact O-N 3.19Å; L291-I298 HydrophobicContact CD2-CD1 3.68Å; L291-L330 HydrophobicContact CD2-CB 4.33Å; L291-L330 HydrophobicContact CD2-CD2 4.12Å; L291-L330 HydrophobicContact CG-CD2 4.39Å; L291-I333 HydrophobicContact CD1-CD1 4.07Å; L291-I333 HydrophobicContact CD1-CG2 4.03Å; L291-I333 HydrophobicContact CD2-CD1 4.05Å; L291-I333 HydrophobicContact CG-CD1 3.72Å; L291-L337 HydrophobicContact CD2-CD2 3.81Å
292K96.5Very high95.8Very high126 Ų12666.1 Ų66.155%0.54829%0.293SS..Hα-helixtrans-73.3-43.8176.7-169.9174.9178.81800112.5M274 Y288 R289 K290 W295M274-K292 HydrophobicContact CE-CB 3.68Å; M274-K292 HydrophobicContact CE-CD 4.36Å; M274-K292 HydrophobicContact CE-CG 4.08Å; M274-K292 HydrophobicContact SD-CB 4.37Å; Y288-K292 HydrophobicContact CE1-CD 4.03Å; Y288-K292 WeakPolarHBondContact O-CB 3.22Å; Y288-K292 PolarHBondContact O-N 3.45Å; R289-K292 PolarHBondContact O-N 3.5Å; K290-K292 PolarHBondContact O-N 3.29Å; K292-W295 VanDerWaalsContact O-CD1 3.24Å
293K96.6Very high95.7Very high138 Ų13869.6 Ų69.660%0.629%0.293SS*.Hα-helixtrans-73.4-41-175.5179.263.5178.6-175.80112.1R289 K290 L315R289-K293 VanDerWaalsContact O-CB 3.27Å; R289-K293 WeakPolarHBondContact O-CB 3.43Å; R289-K293 PolarHBondContact O-N 2.93Å; K290-K293 PolarHBondContact O-N 3.1Å; K293-L315 HydrophobicContact CB-CD1 3.56Å; K293-L315 HydrophobicContact CG-CD1 3.94Å
294Y96.5Very high95.7Very high18 Ų1872.3 Ų72.37%0.07130%0.304CS..THydrogen-bonded Turntrans-103.723.6-171.6-53.2-59000113.3K290 R296 T297 I298 Y313 L315 F316 V326K290-Y294 HydrophobicContact CB-CD2 4.26Å; K290-Y294 HydrophobicContact CB-CE2 4.48Å; K290-Y294 HydrophobicContact CG-CE2 4.34Å; K290-Y294 WeakPolarHBondContact O-CD2 3.36Å; K290-Y294 PolarHBondContact O-N 2.76Å; Y294-R296 PolarHBondContact O-N 3.2Å; Y294-R296 VanDerWaalsContact O-N 3.15Å; Y294-T297 WeakPolarHBondContact O-CB 3.46Å; Y294-T297 PolarHBondContact O-N 3.14Å; Y294-I298 PolarHBondContact O-N 3.38Å; Y294-Y313 HydrophobicContact CD1-CD1 4.04Å; Y294-Y313 HydrophobicContact CD1-CE1 4.18Å; Y294-Y313 AromaticContact CE1-CD1 3.48Å; Y294-Y313 HydrophobicContact CE1-CD1 3.48Å; Y294-Y313 VanDerWaalsContact CE1-CD1 3.48Å; Y294-Y313 HydrophobicContact CE1-CE1 4.05Å; Y294-Y313 AromaticContact CZ-CD1 3.75Å; Y294-L315 HydrophobicContact CE2-CB 3.9Å; Y294-L315 HydrophobicContact CE2-CD1 4.11Å; Y294-L315 HydrophobicContact CE2-CG 4.32Å; Y294-L315 PolarHBondContact OH-N 2.98Å; Y294-L315 VanDerWaalsContact OH-N 3.16Å; Y294-F316 HydrophobicContact CD2-CD2 4.48Å; Y294-F316 AromaticContact CD2-CE2 3.75Å; Y294-F316 HydrophobicContact CD2-CE2 3.75Å; Y294-F316 AromaticContact CE2-CD2 3.7Å; Y294-F316 HydrophobicContact CE2-CD2 3.7Å; Y294-F316 AromaticContact CE2-CE2 3.39Å; Y294-F316 HydrophobicContact CE2-CE2 3.39Å; Y294-V326 HydrophobicContact CD2-CG1 4.28Å; Y294-V326 HydrophobicContact CG-CG1 4.21Å
295W96.7Very high95.6Very high101 Ų10172.3 Ų72.338%0.38330%0.303SS..Hα-helixtrans-55.8-32.7179.973.2-88.7000113.5K292 T297 I298 L299K292-W295 VanDerWaalsContact O-CD1 3.24Å; W295-T297 VanDerWaalsContact C-N 3.35Å; W295-I298 PolarHBondContact O-N 2.91Å; W295-L299 HydrophobicContact CE3-CD1 3.66Å; W295-L299 HydrophobicContact CE3-CG 4.31Å; W295-L299 HydrophobicContact CZ3-CD1 3.76Å; W295-L299 PolarHBondContact O-N 3.46Å; W295-L299 VanDerWaalsContact O-N 3.14Å
296R95.9Very high95.5Very high185 Ų18572.9 Ų72.970%0.69831%0.307SS*.Hα-helixtrans-65.9-36.6177.9-67.3-173.6-179.31800.6112.3Y294 L299 K300Y294-R296 PolarHBondContact O-N 3.2Å; Y294-R296 VanDerWaalsContact O-N 3.15Å; R296-L299 PolarHBondContact O-N 2.89Å; R296-K300 PolarHBondContact O-N 3.33Å
297T94.6Very high95.4Very high15 Ų1573.7 Ų73.79%0.09231%0.308CS..Hα-helixtrans-64.2-45.3176.1-52.70000109.9Y294 W295 L299 K300 I305 E323 L327Y294-T297 WeakPolarHBondContact O-CB 3.46Å; Y294-T297 PolarHBondContact O-N 3.14Å; W295-T297 VanDerWaalsContact C-N 3.35Å; T297-L299 VanDerWaalsContact C-N 3.32Å; T297-L299 PolarHBondContact O-N 2.89Å; T297-K300 WeakPolarHBondContact O-CB 3.37Å; T297-K300 PolarHBondContact O-N 3.07Å; T297-I305 HydrophobicContact CG2-CD1 4.18Å; T297-E323 HydrophobicContact CG2-CB 4.24Å; T297-L327 HydrophobicContact CG2-CB 4.3Å
298I94.3Very high95.3Very high0 Ų075.5 Ų75.50%033%0.328CS..Hα-helixtrans-60.5-36.5178.1-65.5172.1000112.4F266 R270 L291 Y294 W295 L327 L330 Y341F266-I298 HydrophobicContact CD1-CG2 4.4Å; F266-I298 HydrophobicContact CE1-CG2 3.29Å; F266-I298 WeakPolarHBondContact CE1-O 3.38Å; F266-I298 HydrophobicContact CZ-CG2 3.59Å; R270-I298 HydrophobicContact CG-CD1 4.25Å; L291-I298 HydrophobicContact CD2-CD1 3.68Å; Y294-I298 PolarHBondContact O-N 3.38Å; W295-I298 PolarHBondContact O-N 2.91Å; I298-L327 HydrophobicContact CG1-CD1 4.3Å; I298-L330 HydrophobicContact CD1-CB 3.87Å; I298-L330 HydrophobicContact CD1-CD1 3.79Å; I298-L330 HydrophobicContact CD1-CD2 4.41Å; I298-L330 HydrophobicContact CD1-CG 4.22Å; I298-L330 HydrophobicContact CG1-CB 4.08Å; I298-L330 HydrophobicContact CG1-CD1 3.68Å; I298-L330 HydrophobicContact CG1-CG 4.45Å; I298-Y341 VanDerWaalsContact O-CE2 3.32Å; I298-Y341 WeakPolarHBondContact O-CE2 3.41Å
299L96.1Very high95.1Very high29 Ų2976 Ų7615%0.15234%0.337CS..Hα-helixtrans-87.7-6.1-180-60.5-173.6000114.1F266 N267 W295 R296 T297 Y344F266-L299 HydrophobicContact CD1-CD2 3.46Å; F266-L299 VanDerWaalsContact CD1-CD2 3.46Å; F266-L299 HydrophobicContact CE1-CD2 3.96Å; F266-L299 HydrophobicContact CG-CD2 4.46Å; N267-L299 HydrophobicContact CB-CD1 3.99Å; N267-L299 HydrophobicContact CB-CD2 4.05Å; W295-L299 HydrophobicContact CE3-CD1 3.66Å; W295-L299 HydrophobicContact CE3-CG 4.31Å; W295-L299 HydrophobicContact CZ3-CD1 3.76Å; W295-L299 PolarHBondContact O-N 3.46Å; W295-L299 VanDerWaalsContact O-N 3.14Å; R296-L299 PolarHBondContact O-N 2.89Å; T297-L299 VanDerWaalsContact C-N 3.32Å; T297-L299 PolarHBondContact O-N 2.89Å; L299-Y344 PolarHBondContact O-OH 3.06Å
300K96.1Very high95Very high69 Ų6974.1 Ų74.130%0.334%0.338SS..SBendtrans-71142.2-178.1-163.3-178.2-162.2-165.30109.4R296 T297 K304 I305 E323 Q345R296-K300 PolarHBondContact O-N 3.33Å; T297-K300 WeakPolarHBondContact O-CB 3.37Å; T297-K300 PolarHBondContact O-N 3.07Å; K300-K304 HydrophobicContact CD-CB 4.31Å; K300-K304 WeakPolarHBondContact CE-O 3.49Å; K300-K304 HydrophobicContact CG-CB 4.04Å; K300-K304 PolarHBondContact NZ-O 3.26Å; K300-I305 HydrophobicContact CB-CD1 3.86Å; K300-I305 HydrophobicContact CD-CD1 3.99Å; K300-I305 HydrophobicContact CG-CD1 4.29Å; K300-E323 IonicContact NZ-OE1 3.26Å; K300-E323 IonicContact NZ-OE2 2.69Å; K300-E323 PolarHBondContact NZ-OE2 3.3Å; K300-Q345 PolarHBondContact O-NE2 3.12Å
301K95.6Very high94.9Very high51 Ų5176.8 Ų76.822%0.22235%0.35CS..  trans-62138.8174.1-62-171168.6-175.70110.2R303 K304 I305 L348 D352K301-R303 VanDerWaalsContact C-N 3.25Å; K301-R303 PolarHBondContact O-N 3.14Å; K301-K304 WeakPolarHBondContact O-CA 3.34Å; K301-K304 PolarHBondContact O-N 3.07Å; K301-I305 PolarHBondContact O-N 3.05Å; K301-L348 HydrophobicContact CG-CD1 4.15Å; K301-D352 WeakPolarHBondContact CD-OD2 3.42Å; K301-D352 WeakPolarHBondContact CE-OD2 3.36Å; K301-D352 IonicContact NZ-OD1 3.24Å; K301-D352 PolarHBondContact NZ-OD1 3.5Å; K301-D352 IonicContact NZ-OD2 3.69Å; K301-D352 PolarHBondContact NZ-OD2 3.29Å
302N93.6Very high94.8Very high42 Ų4281.4 Ų81.423%0.22537%0.371CS..G310 helixtrans-49-45.2-179.6-87.5-9.8000112.6K304 I305 Y307 Y341 Q345N302-K304 PolarHBondContact O-N 3.48Å; N302-I305 WeakPolarHBondContact O-CB 3.18Å; N302-I305 PolarHBondContact O-N 3.02Å; N302-Y307 PolarHBondContact O-OH 3.02Å; N302-Y341 PolarHBondContact OD1-OH 3.25Å; N302-Q345 WeakPolarHBondContact ND2-CB 3.39Å
303R91.8Very high94.7Very high167 Ų16775.8 Ų75.863%0.6335%0.347SS*.G310 helixtrans-61.1-17.3178.5-56.8-177.1-166.2-168.80.8114.7K301 D349K301-R303 VanDerWaalsContact C-N 3.25Å; K301-R303 PolarHBondContact O-N 3.14Å; R303-D349 IonicContact CZ-OD1 3.42Å; R303-D349 IonicContact NE-OD1 3.05Å; R303-D349 PolarHBondContact NE-OD1 3.22Å; R303-D349 IonicContact NH2-OD1 3.99Å; R303-D349 PolarHBondContact NH2-OD1 2.88Å; R303-D349 VanDerWaalsContact NH2-OD1 3.09Å
304K94.5Very high94.6Very high145 Ų14573.1 Ų73.163%0.6334%0.343SS*.G310 helixtrans-105.3-6.8178.8-62.7-170.6177-173.30112.6K300 K301 N302K300-K304 HydrophobicContact CD-CB 4.31Å; K300-K304 WeakPolarHBondContact CE-O 3.49Å; K300-K304 HydrophobicContact CG-CB 4.04Å; K300-K304 PolarHBondContact NZ-O 3.26Å; K301-K304 WeakPolarHBondContact O-CA 3.34Å; K301-K304 PolarHBondContact O-N 3.07Å; N302-K304 PolarHBondContact O-N 3.48Å
305I94Very high94.5Very high8 Ų875.5 Ų75.54%0.04136%0.357CS..SBendtrans-64.7137.1174.6-64.4-74.3000108.4T297 K300 K301 N302 Y307 E323 L327T297-I305 HydrophobicContact CG2-CD1 4.18Å; K300-I305 HydrophobicContact CB-CD1 3.86Å; K300-I305 HydrophobicContact CD-CD1 3.99Å; K300-I305 HydrophobicContact CG-CD1 4.29Å; K301-I305 PolarHBondContact O-N 3.05Å; N302-I305 WeakPolarHBondContact O-CB 3.18Å; N302-I305 PolarHBondContact O-N 3.02Å; I305-Y307 HydrophobicContact CB-CE2 3.78Å; I305-Y307 HydrophobicContact CG2-CD2 4.37Å; I305-Y307 HydrophobicContact CG2-CE1 4.25Å; I305-Y307 HydrophobicContact CG2-CE2 3.95Å; I305-Y307 WeakPolarHBondContact O-CD2 3.48Å; I305-Y307 WeakPolarHBondContact O-CE2 3.19Å; I305-E323 HydrophobicContact CG2-CB 3.92Å; I305-L327 HydrophobicContact CD1-CD2 4.01Å; I305-L327 HydrophobicContact CG1-CD2 4.23Å
306N93Very high94.5Very high51 Ų5171.5 Ų71.527%0.27334%0.342SS..  trans-87.9118.6174.8-166.9-50.2000111.3S308 S309 E323 S324N306-S308 PolarHBondContact OD1-N 3.39Å; N306-S309 WeakPolarHBondContact ND2-CB 3.45Å; N306-S309 PolarHBondContact ND2-OG 2.81Å; N306-S309 WeakPolarHBondContact OD1-CB 3.39Å; N306-S309 PolarHBondContact OD1-N 3.2Å; N306-S309 PolarHBondContact OD1-OG 3.05Å; N306-S309 VanDerWaalsContact OD1-OG 3.09Å; N306-E323 HydrophobicContact CB-CB 4.29Å; N306-E323 HydrophobicContact CB-CG 4.07Å; N306-E323 PolarHBondContact N-OE2 2.99Å; N306-E323 VanDerWaalsContact N-OE2 3.11Å; N306-E323 WeakPolarHBondContact O-CB 3.42Å; N306-E323 PolarHBondContact O-N 3.47Å; N306-S324 PolarHBondContact O-N 2.68Å
307Y94.1Very high94.3Very high132 Ų13270.2 Ų70.252%0.51834%0.344SS..SBendtrans-99.3-4-177.1-63.3-92.7000114.4N302 I305N302-Y307 PolarHBondContact O-OH 3.02Å; I305-Y307 HydrophobicContact CB-CE2 3.78Å; I305-Y307 HydrophobicContact CG2-CD2 4.37Å; I305-Y307 HydrophobicContact CG2-CE1 4.25Å; I305-Y307 HydrophobicContact CG2-CE2 3.95Å; I305-Y307 WeakPolarHBondContact O-CD2 3.48Å; I305-Y307 WeakPolarHBondContact O-CE2 3.19Å
308S93.8Very high94.1Very high102 Ų10277.9 Ų77.971%0.71337%0.371SS*.SBendtrans-129.4-37.6-169.957.60000114N306 L310N306-S308 PolarHBondContact OD1-N 3.39Å; S308-L310 PolarHBondContact O-N 3.14Å
309S93.5Very high94Very high51 Ų5183.5 Ų83.536%0.35740%0.396SS..  trans-76.1117.2-178.879.20000110.5N306N306-S309 WeakPolarHBondContact ND2-CB 3.45Å; N306-S309 PolarHBondContact ND2-OG 2.81Å; N306-S309 WeakPolarHBondContact OD1-CB 3.39Å; N306-S309 PolarHBondContact OD1-N 3.2Å; N306-S309 PolarHBondContact OD1-OG 3.05Å; N306-S309 VanDerWaalsContact OD1-OG 3.09Å
310L93.7Very high94Very high106 Ų10689.4 Ų89.456%0.55542%0.417SS*.  trans-77.6132.4172.2-65.5177.1000110.6S308 Y320 T322S308-L310 PolarHBondContact O-N 3.14Å; L310-Y320 HydrophobicContact CB-CD1 4.46Å; L310-T322 HydrophobicContact CD2-CG2 3.86Å
311K94.1Very high94Very high77 Ų7787.2 Ų87.234%0.33541%0.409SS..EExtended strand (participates in β ladder)trans-138156.2170.967.5-172.3176.3-175.10110.9Y313 Y320 L321 E323K311-Y313 HydrophobicContact CD-CE2 4.27Å; K311-Y313 WeakPolarHBondContact CE-OH 3.38Å; K311-Y313 HydrophobicContact CG-CD2 4.1Å; K311-Y313 HydrophobicContact CG-CE2 3.47Å; K311-Y313 VanDerWaalsContact CG-CE2 3.47Å; K311-Y313 WeakPolarHBondContact O-CD2 3.49Å; K311-Y320 WeakPolarHBondContact O-CA 3.2Å; K311-L321 PolarHBondContact N-O 2.94Å; K311-L321 PolarHBondContact O-N 3.24Å; K311-E323 IonicContact NZ-OE1 3.85Å; K311-E323 PolarHBondContact NZ-OE1 2.87Å
312Q95Very high94Very high96 Ų9685.3 Ų85.345%0.44940%0.401SS..EExtended strand (participates in β ladder)trans-76.5129.8-177.4-158-178.351.200111.6R318 Y320Q312-R318 HydrophobicContact CG-CB 4.03Å; Q312-R318 WeakPolarHBondContact CG-O 3.49Å; Q312-R318 PolarHBondContact NE2-O 3.34Å; Q312-Y320 HydrophobicContact CB-CE1 4.4Å
313Y95.1Very high94.1Very high9 Ų984.4 Ų84.44%0.03540%0.396CS..EExtended strand (participates in β ladder)trans-114.6107.7176.9-73.8-90.9000112.3Y294 K311 L315 F316 R318 K319 L321 T322 E323 V326Y294-Y313 HydrophobicContact CD1-CD1 4.04Å; Y294-Y313 HydrophobicContact CD1-CE1 4.18Å; Y294-Y313 AromaticContact CE1-CD1 3.48Å; Y294-Y313 HydrophobicContact CE1-CD1 3.48Å; Y294-Y313 VanDerWaalsContact CE1-CD1 3.48Å; Y294-Y313 HydrophobicContact CE1-CE1 4.05Å; Y294-Y313 AromaticContact CZ-CD1 3.75Å; K311-Y313 HydrophobicContact CD-CE2 4.27Å; K311-Y313 WeakPolarHBondContact CE-OH 3.38Å; K311-Y313 HydrophobicContact CG-CD2 4.1Å; K311-Y313 HydrophobicContact CG-CE2 3.47Å; K311-Y313 VanDerWaalsContact CG-CE2 3.47Å; K311-Y313 WeakPolarHBondContact O-CD2 3.49Å; Y313-L315 VanDerWaalsContact C-N 3.35Å; Y313-L315 PolarHBondContact O-N 3.16Å; Y313-F316 HydrophobicContact CG-CD2 4.45Å; Y313-F316 CarbonylContact O-C 3.51Å; Y313-F316 PolarHBondContact O-N 2.72Å; Y313-R318 WeakPolarHBondContact O-CA 3.34Å; Y313-R318 PolarHBondContact O-N 3.42Å; Y313-K319 PolarHBondContact N-O 3.38Å; Y313-L321 HydrophobicContact CD2-CB 3.84Å; Y313-L321 HydrophobicContact CE2-CB 4Å; Y313-L321 VanDerWaalsContact CE2-O 3.32Å; Y313-L321 WeakPolarHBondContact CE2-O 3.37Å; Y313-T322 PolarHBondContact OH-O 2.97Å; Y313-E323 VanDerWaalsContact OH-CA 3.31Å; Y313-E323 WeakPolarHBondContact OH-CA 3.37Å; Y313-E323 WeakPolarHBondContact OH-CG 3.44Å; Y313-V326 HydrophobicContact CD1-CG1 4.36Å; Y313-V326 HydrophobicContact CD1-CG2 3.81Å; Y313-V326 HydrophobicContact CD2-CG2 3.68Å; Y313-V326 HydrophobicContact CE1-CB 4.16Å; Y313-V326 HydrophobicContact CE1-CG1 4Å; Y313-V326 HydrophobicContact CE1-CG2 3.69Å; Y313-V326 HydrophobicContact CE2-CB 4.47Å; Y313-V326 HydrophobicContact CE2-CG2 3.51Å; Y313-V326 HydrophobicContact CG-CG2 3.78Å; Y313-V326 VanDerWaalsContact CZ-CG2 3.48Å
314P94.3Very high94.3Very high81 Ų8177.1 Ų77.153%0.52637%0.37SS..G310 helixtrans-56.2-39.3-172.7-30.535.7000115.5F316P314-F316 VanDerWaalsContact C-N 3.25Å; P314-F316 PolarHBondContact O-N 2.84Å
315L95.3Very high94.4Very high69 Ų6974.4 Ų74.436%0.36136%0.36SS..G310 helixtrans-82.2-3.6-179.4-58.1-177.4000113.5R289 K290 K293 Y294 Y313 Q317R289-L315 HydrophobicContact CB-CD1 4.04Å; R289-L315 WeakPolarHBondContact O-CD1 3.45Å; K290-L315 WeakPolarHBondContact CE-O 3.46Å; K290-L315 HydrophobicContact CG-CB 3.91Å; K290-L315 HydrophobicContact CG-CD1 4.29Å; K293-L315 HydrophobicContact CB-CD1 3.56Å; K293-L315 HydrophobicContact CG-CD1 3.94Å; Y294-L315 HydrophobicContact CE2-CB 3.9Å; Y294-L315 HydrophobicContact CE2-CD1 4.11Å; Y294-L315 HydrophobicContact CE2-CG 4.32Å; Y294-L315 PolarHBondContact OH-N 2.98Å; Y294-L315 VanDerWaalsContact OH-N 3.16Å; Y313-L315 VanDerWaalsContact C-N 3.35Å; Y313-L315 PolarHBondContact O-N 3.16Å; L315-Q317 VanDerWaalsContact C-N 3.34Å
316F95.1Very high94.5Very high16 Ų1674 Ų747%0.0736%0.358CS..G310 helixtrans-103.442170.6-70.9-98.4000110.1K290 Y294 Y313 P314 R318 K319 L321 V326 Y329K290-F316 HydrophobicContact CD-CE1 4.24Å; K290-F316 HydrophobicContact CD-CE2 4.1Å; K290-F316 HydrophobicContact CD-CZ 3.93Å; K290-F316 HydrophobicContact CG-CE2 4.31Å; Y294-F316 HydrophobicContact CD2-CD2 4.48Å; Y294-F316 AromaticContact CD2-CE2 3.75Å; Y294-F316 HydrophobicContact CD2-CE2 3.75Å; Y294-F316 AromaticContact CE2-CD2 3.7Å; Y294-F316 HydrophobicContact CE2-CD2 3.7Å; Y294-F316 AromaticContact CE2-CE2 3.39Å; Y294-F316 HydrophobicContact CE2-CE2 3.39Å; Y313-F316 HydrophobicContact CG-CD2 4.45Å; Y313-F316 CarbonylContact O-C 3.51Å; Y313-F316 PolarHBondContact O-N 2.72Å; P314-F316 VanDerWaalsContact C-N 3.25Å; P314-F316 PolarHBondContact O-N 2.84Å; F316-R318 PolarHBondContact O-N 3.29Å; F316-R318 VanDerWaalsContact O-N 3.13Å; F316-K319 WeakPolarHBondContact O-CB 3.32Å; F316-K319 VanDerWaalsContact O-CG 3.26Å; F316-K319 WeakPolarHBondContact O-CG 3.24Å; F316-K319 PolarHBondContact O-N 2.93Å; F316-L321 HydrophobicContact CB-CD1 3.75Å; F316-L321 HydrophobicContact CD1-CD1 3.71Å; F316-L321 HydrophobicContact CE1-CD1 4.4Å; F316-L321 HydrophobicContact CG-CD1 3.78Å; F316-V326 HydrophobicContact CD2-CG2 4.25Å; F316-V326 HydrophobicContact CE2-CB 4.36Å; F316-V326 HydrophobicContact CE2-CG1 3.77Å; F316-V326 HydrophobicContact CE2-CG2 3.91Å; F316-V326 HydrophobicContact CZ-CB 4.32Å; F316-V326 HydrophobicContact CZ-CG1 3.95Å; F316-V326 HydrophobicContact CZ-CG2 4.09Å; F316-Y329 AromaticContact CE1-CD1 3.5Å; F316-Y329 HydrophobicContact CE1-CD1 3.5Å; F316-Y329 VanDerWaalsContact CE1-CD1 3.5Å; F316-Y329 AromaticContact CE1-CD2 3.99Å; F316-Y329 HydrophobicContact CE1-CD2 3.99Å; F316-Y329 HydrophobicContact CE1-CE1 4.12Å; F316-Y329 AromaticContact CE1-CG 3.44Å; F316-Y329 HydrophobicContact CE1-CG 3.44Å; F316-Y329 VanDerWaalsContact CE1-CG 3.44Å; F316-Y329 AromaticContact CZ-CD1 3.58Å; F316-Y329 HydrophobicContact CZ-CD1 3.58Å; F316-Y329 HydrophobicContact CZ-CE1 4.29Å; F316-Y329 AromaticContact CZ-CG 3.91Å; F316-Y329 HydrophobicContact CZ-CG 3.91Å
317Q93.5Very high94.7Very high159 Ų15971.9 Ų71.974%0.74335%0.346SS*.THydrogen-bonded Turntrans54.434.7-179.6-60159.3-5.200112.1L315 K319L315-Q317 VanDerWaalsContact C-N 3.34Å; Q317-K319 PolarHBondContact O-N 3.01Å; Q317-K319 VanDerWaalsContact O-N 3.14Å
318R89.5Confident94.9Very high175 Ų17569.1 Ų69.166%0.6634%0.34SS*.THydrogen-bonded Turntrans56.824.6-177.2-63.1-175.8168.6102.7-4114.4Q312 Y313 F316Q312-R318 HydrophobicContact CG-CB 4.03Å; Q312-R318 WeakPolarHBondContact CG-O 3.49Å; Q312-R318 PolarHBondContact NE2-O 3.34Å; Y313-R318 WeakPolarHBondContact O-CA 3.34Å; Y313-R318 PolarHBondContact O-N 3.42Å; F316-R318 PolarHBondContact O-N 3.29Å; F316-R318 VanDerWaalsContact O-N 3.13Å
319K92.8Very high95Very high119 Ų11967.5 Ų67.552%0.51732%0.319SS..EExtended strand (participates in β ladder)trans-65146.8171.7-69.2-179.3-179.6-168.60110.8Y313 F316 Q317 L321Y313-K319 PolarHBondContact N-O 3.38Å; F316-K319 WeakPolarHBondContact O-CB 3.32Å; F316-K319 VanDerWaalsContact O-CG 3.26Å; F316-K319 WeakPolarHBondContact O-CG 3.24Å; F316-K319 PolarHBondContact O-N 2.93Å; Q317-K319 PolarHBondContact O-N 3.01Å; Q317-K319 VanDerWaalsContact O-N 3.14Å; K319-L321 HydrophobicContact CB-CD1 4.35Å; K319-L321 HydrophobicContact CB-CD2 4.36Å; K319-L321 HydrophobicContact CB-CG 4.06Å
320Y95.5Very high95.2Very high152 Ų15265.1 Ų65.160%0.59630%0.302SS*.EExtended strand (participates in β ladder)trans-80114.7166.4-76.4-94.3000107.7L310 K311 Q312L310-Y320 HydrophobicContact CB-CD1 4.46Å; K311-Y320 WeakPolarHBondContact O-CA 3.2Å; Q312-Y320 HydrophobicContact CB-CE1 4.4Å
321L96Very high95.4Very high24 Ų2460.2 Ų60.213%0.12628%0.277CS..EExtended strand (participates in β ladder)trans-134.4161.1-179.5-59.8170.6000108.9K311 Y313 F316 K319 E325 V326K311-L321 PolarHBondContact N-O 2.94Å; K311-L321 PolarHBondContact O-N 3.24Å; Y313-L321 HydrophobicContact CD2-CB 3.84Å; Y313-L321 HydrophobicContact CE2-CB 4Å; Y313-L321 VanDerWaalsContact CE2-O 3.32Å; Y313-L321 WeakPolarHBondContact CE2-O 3.37Å; F316-L321 HydrophobicContact CB-CD1 3.75Å; F316-L321 HydrophobicContact CD1-CD1 3.71Å; F316-L321 HydrophobicContact CE1-CD1 4.4Å; F316-L321 HydrophobicContact CG-CD1 3.78Å; K319-L321 HydrophobicContact CB-CD1 4.35Å; K319-L321 HydrophobicContact CB-CD2 4.36Å; K319-L321 HydrophobicContact CB-CG 4.06Å; L321-E325 WeakPolarHBondContact CA-OE2 3.41Å; L321-E325 HydrophobicContact CB-CB 4.34Å; L321-E325 HydrophobicContact CD2-CB 4.46Å; L321-V326 HydrophobicContact CB-CG2 4.03Å; L321-V326 HydrophobicContact CD1-CG2 3.91Å
322T96.2Very high95.6Very high11 Ų1163.2 Ų63.27%0.06730%0.296CS..  trans-77.9170.3167.858.70000111L310 Y313 S324 E325L310-T322 HydrophobicContact CD2-CG2 3.86Å; Y313-T322 PolarHBondContact OH-O 2.97Å; T322-S324 VanDerWaalsContact C-N 3.32Å; T322-S324 PolarHBondContact OG1-OG 3.29Å; T322-E325 WeakPolarHBondContact CB-OE2 3.13Å; T322-E325 PolarHBondContact N-OE2 2.69Å; T322-E325 WeakPolarHBondContact OG1-CB 3.2Å; T322-E325 WeakPolarHBondContact OG1-CG 3.41Å; T322-E325 PolarHBondContact OG1-N 3.46Å; T322-E325 VanDerWaalsContact OG1-N 3.1Å; T322-E325 PolarHBondContact OG1-OE2 2.92Å
323E95.8Very high95.6Very high22 Ų2259.6 Ų59.610%0.10328%0.279CS..Hα-helixtrans-70.1-32.8170.6-68.2-174.2162.500112T297 K300 I305 N306 K311 Y313 V326 L327T297-E323 HydrophobicContact CG2-CB 4.24Å; K300-E323 IonicContact NZ-OE1 3.26Å; K300-E323 IonicContact NZ-OE2 2.69Å; K300-E323 PolarHBondContact NZ-OE2 3.3Å; I305-E323 HydrophobicContact CG2-CB 3.92Å; N306-E323 HydrophobicContact CB-CB 4.29Å; N306-E323 HydrophobicContact CB-CG 4.07Å; N306-E323 PolarHBondContact N-OE2 2.99Å; N306-E323 VanDerWaalsContact N-OE2 3.11Å; N306-E323 WeakPolarHBondContact O-CB 3.42Å; N306-E323 PolarHBondContact O-N 3.47Å; K311-E323 IonicContact NZ-OE1 3.85Å; K311-E323 PolarHBondContact NZ-OE1 2.87Å; Y313-E323 VanDerWaalsContact OH-CA 3.31Å; Y313-E323 WeakPolarHBondContact OH-CA 3.37Å; Y313-E323 WeakPolarHBondContact OH-CG 3.44Å; E323-V326 PolarHBondContact O-N 2.8Å; E323-L327 WeakPolarHBondContact O-CB 3.37Å; E323-L327 PolarHBondContact O-N 2.74Å
324S96.5Very high95.6Very high14 Ų1461 Ų6110%0.09829%0.288CS..Hα-helixtrans-65-47.7176.847.30000112.2N306 T322 V326 L327 D328N306-S324 PolarHBondContact O-N 2.68Å; T322-S324 VanDerWaalsContact C-N 3.32Å; T322-S324 PolarHBondContact OG1-OG 3.29Å; S324-V326 VanDerWaalsContact C-N 3.26Å; S324-V326 PolarHBondContact O-N 3.39Å; S324-L327 CarbonylContact O-C 3.52Å; S324-L327 WeakPolarHBondContact O-CA 3.44Å; S324-L327 WeakPolarHBondContact O-CB 3.26Å; S324-L327 PolarHBondContact O-N 2.79Å; S324-D328 PolarHBondContact O-N 3.05Å
325E96.4Very high95.6Very high88 Ų8864.3 Ų64.341%0.41130%0.296SS..Hα-helixtrans-60.4-38.1177.8-73.3167.3113.800112.2L321 T322 Y329L321-E325 WeakPolarHBondContact CA-OE2 3.41Å; L321-E325 HydrophobicContact CB-CB 4.34Å; L321-E325 HydrophobicContact CD2-CB 4.46Å; T322-E325 WeakPolarHBondContact CB-OE2 3.13Å; T322-E325 PolarHBondContact N-OE2 2.69Å; T322-E325 WeakPolarHBondContact OG1-CB 3.2Å; T322-E325 WeakPolarHBondContact OG1-CG 3.41Å; T322-E325 PolarHBondContact OG1-N 3.46Å; T322-E325 VanDerWaalsContact OG1-N 3.1Å; T322-E325 PolarHBondContact OG1-OE2 2.92Å; E325-Y329 PolarHBondContact O-N 3.32Å; E325-Y329 VanDerWaalsContact O-N 3.09Å
326V96.3Very high95.5Very high0 Ų065.1 Ų65.10%030%0.298CS..Hα-helixtrans-67.7-42.6175.3168.20000111.1Y294 Y313 F316 L321 E323 S324 L330Y294-V326 HydrophobicContact CD2-CG1 4.28Å; Y294-V326 HydrophobicContact CG-CG1 4.21Å; Y313-V326 HydrophobicContact CD1-CG1 4.36Å; Y313-V326 HydrophobicContact CD1-CG2 3.81Å; Y313-V326 HydrophobicContact CD2-CG2 3.68Å; Y313-V326 HydrophobicContact CE1-CB 4.16Å; Y313-V326 HydrophobicContact CE1-CG1 4Å; Y313-V326 HydrophobicContact CE1-CG2 3.69Å; Y313-V326 HydrophobicContact CE2-CB 4.47Å; Y313-V326 HydrophobicContact CE2-CG2 3.51Å; Y313-V326 HydrophobicContact CG-CG2 3.78Å; Y313-V326 VanDerWaalsContact CZ-CG2 3.48Å; F316-V326 HydrophobicContact CD2-CG2 4.25Å; F316-V326 HydrophobicContact CE2-CB 4.36Å; F316-V326 HydrophobicContact CE2-CG1 3.77Å; F316-V326 HydrophobicContact CE2-CG2 3.91Å; F316-V326 HydrophobicContact CZ-CB 4.32Å; F316-V326 HydrophobicContact CZ-CG1 3.95Å; F316-V326 HydrophobicContact CZ-CG2 4.09Å; L321-V326 HydrophobicContact CB-CG2 4.03Å; L321-V326 HydrophobicContact CD1-CG2 3.91Å; E323-V326 PolarHBondContact O-N 2.8Å; S324-V326 VanDerWaalsContact C-N 3.26Å; S324-V326 PolarHBondContact O-N 3.39Å; V326-L330 HydrophobicContact CG1-CD1 3.79Å; V326-L330 HydrophobicContact CG1-CG 4.48Å; V326-L330 WeakPolarHBondContact O-CD1 3.43Å; V326-L330 WeakPolarHBondContact O-CG 3.26Å; V326-L330 PolarHBondContact O-N 3.35Å; V326-L330 VanDerWaalsContact O-N 3.1Å
327L97.2Very high95.6Very high6 Ų664.3 Ų64.33%0.03129%0.294CS..Hα-helixtrans-60.9-49175.6174.965.1000111.4T297 I298 I305 E323 S324 Y329 L330 L331 Y341T297-L327 HydrophobicContact CG2-CB 4.3Å; I298-L327 HydrophobicContact CG1-CD1 4.3Å; I305-L327 HydrophobicContact CD1-CD2 4.01Å; I305-L327 HydrophobicContact CG1-CD2 4.23Å; E323-L327 WeakPolarHBondContact O-CB 3.37Å; E323-L327 PolarHBondContact O-N 2.74Å; S324-L327 CarbonylContact O-C 3.52Å; S324-L327 WeakPolarHBondContact O-CA 3.44Å; S324-L327 WeakPolarHBondContact O-CB 3.26Å; S324-L327 PolarHBondContact O-N 2.79Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 3.28Å; L327-L330 WeakPolarHBondContact O-CA 3.19Å; L327-L330 WeakPolarHBondContact O-CB 3.33Å; L327-L330 PolarHBondContact O-N 3.33Å; L327-L331 HydrophobicContact CD1-CD1 3.94Å; L327-L331 HydrophobicContact CD1-CD2 4.49Å; L327-L331 HydrophobicContact CD1-CG 4.06Å; L327-L331 HydrophobicContact CG-CD1 3.94Å; L327-L331 HydrophobicContact CG-CG 4.39Å; L327-L331 WeakPolarHBondContact O-CG 3.5Å; L327-L331 PolarHBondContact O-N 2.94Å; L327-Y341 HydrophobicContact CD1-CE2 3.84Å; L327-Y341 HydrophobicContact CD2-CE1 4.23Å; L327-Y341 HydrophobicContact CD2-CE2 4.38Å; L327-Y341 WeakPolarHBondContact CD2-OH 3.38Å
328D96.9Very high95.8Very high74 Ų7461.6 Ų61.640%0.39628%0.277SS..Hα-helixtrans-57.5-47179.5-72.3-33.8000111S324 L330 L331 L332 R338S324-D328 PolarHBondContact O-N 3.05Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 3.11Å; D328-L331 PolarHBondContact O-N 3.36Å; D328-L332 VanDerWaalsContact O-CG 3.28Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.39Å; D328-R338 IonicContact OD1-NH1 3.99Å
329Y97.2Very high96.1Very high69 Ų6954.1 Ų54.127%0.27125%0.251SS..Hα-helixtrans-57.4-41.5174.1179.8-84.3000112.5K290 F316 E325 L327 L332 I333K290-Y329 HydrophobicContact CD-CD1 3.97Å; K290-Y329 HydrophobicContact CD-CE1 3.3Å; K290-Y329 VanDerWaalsContact NZ-CE1 3.26Å; K290-Y329 PolarHBondContact NZ-OH 2.97Å; K290-Y329 VanDerWaalsContact NZ-OH 3.13Å; F316-Y329 AromaticContact CE1-CD1 3.5Å; F316-Y329 HydrophobicContact CE1-CD1 3.5Å; F316-Y329 VanDerWaalsContact CE1-CD1 3.5Å; F316-Y329 AromaticContact CE1-CD2 3.99Å; F316-Y329 HydrophobicContact CE1-CD2 3.99Å; F316-Y329 HydrophobicContact CE1-CE1 4.12Å; F316-Y329 AromaticContact CE1-CG 3.44Å; F316-Y329 HydrophobicContact CE1-CG 3.44Å; F316-Y329 VanDerWaalsContact CE1-CG 3.44Å; F316-Y329 AromaticContact CZ-CD1 3.58Å; F316-Y329 HydrophobicContact CZ-CD1 3.58Å; F316-Y329 HydrophobicContact CZ-CE1 4.29Å; F316-Y329 AromaticContact CZ-CG 3.91Å; F316-Y329 HydrophobicContact CZ-CG 3.91Å; E325-Y329 PolarHBondContact O-N 3.32Å; E325-Y329 VanDerWaalsContact O-N 3.09Å; L327-Y329 VanDerWaalsContact C-N 3.33Å; L327-Y329 PolarHBondContact O-N 3.28Å; Y329-L332 PolarHBondContact O-N 3.28Å; Y329-I333 HydrophobicContact CE1-CD1 4.24Å; Y329-I333 HydrophobicContact CE1-CG1 4.47Å
330L97.5Very high96.3Very high0 Ų048.5 Ų48.50%023%0.226CC..Hα-helixtrans-68.8-36.7-178.2-67.6164.3000111.6K290 L291 I298 V326 L327 D328 I333K290-L330 HydrophobicContact CB-CD2 3.73Å; L291-L330 HydrophobicContact CD2-CB 4.33Å; L291-L330 HydrophobicContact CD2-CD2 4.12Å; L291-L330 HydrophobicContact CG-CD2 4.39Å; I298-L330 HydrophobicContact CD1-CB 3.87Å; I298-L330 HydrophobicContact CD1-CD1 3.79Å; I298-L330 HydrophobicContact CD1-CD2 4.41Å; I298-L330 HydrophobicContact CD1-CG 4.22Å; I298-L330 HydrophobicContact CG1-CB 4.08Å; I298-L330 HydrophobicContact CG1-CD1 3.68Å; I298-L330 HydrophobicContact CG1-CG 4.45Å; V326-L330 HydrophobicContact CG1-CD1 3.79Å; V326-L330 HydrophobicContact CG1-CG 4.48Å; V326-L330 WeakPolarHBondContact O-CD1 3.43Å; V326-L330 WeakPolarHBondContact O-CG 3.26Å; V326-L330 PolarHBondContact O-N 3.35Å; V326-L330 VanDerWaalsContact O-N 3.1Å; L327-L330 WeakPolarHBondContact O-CA 3.19Å; L327-L330 WeakPolarHBondContact O-CB 3.33Å; L327-L330 PolarHBondContact O-N 3.33Å; D328-L330 VanDerWaalsContact C-N 3.27Å; D328-L330 PolarHBondContact O-N 3.11Å; L330-I333 HydrophobicContact CD2-CD1 4.2Å; L330-I333 WeakPolarHBondContact O-CB 3.47Å; L330-I333 PolarHBondContact O-N 2.91Å
331L97.4Very high96.5Very high3 Ų341.6 Ų41.62%0.01620%0.199CC..Hα-helixtrans-74.4-28.2177.5-62.6175.4000112.3L327 D328 I333 L337 R338 Y341L327-L331 HydrophobicContact CD1-CD1 3.94Å; L327-L331 HydrophobicContact CD1-CD2 4.49Å; L327-L331 HydrophobicContact CD1-CG 4.06Å; L327-L331 HydrophobicContact CG-CD1 3.94Å; L327-L331 HydrophobicContact CG-CG 4.39Å; L327-L331 WeakPolarHBondContact O-CG 3.5Å; L327-L331 PolarHBondContact O-N 2.94Å; D328-L331 PolarHBondContact O-N 3.36Å; L331-I333 PolarHBondContact O-N 3.5Å; L331-L337 HydrophobicContact CD2-CG 4.23Å; L331-R338 HydrophobicContact CB-CB 4.38Å; L331-Y341 HydrophobicContact CD1-CD1 3.41Å; L331-Y341 VanDerWaalsContact CD1-CD1 3.41Å; L331-Y341 HydrophobicContact CD1-CD2 4.22Å; L331-Y341 HydrophobicContact CD1-CE1 3.73Å; L331-Y341 HydrophobicContact CD1-CE2 4.46Å; L331-Y341 HydrophobicContact CD1-CG 3.69Å; L331-Y341 HydrophobicContact CD2-CD1 4.24Å; L331-Y341 HydrophobicContact CD2-CD2 3.85Å; L331-Y341 HydrophobicContact CD2-CG 3.61Å; L331-Y341 HydrophobicContact CG-CD1 4.48Å; L331-Y341 HydrophobicContact CG-CG 4.31Å
332L97.1Very high96.5Very high140 Ų14043.1 Ų43.173%0.73321%0.208SC*.THydrogen-bonded Turntrans-67.4-9.5173-74.7171.4000114.2D328 Y329 D334D328-L332 VanDerWaalsContact O-CG 3.28Å; D328-L332 WeakPolarHBondContact O-CG 3.48Å; D328-L332 PolarHBondContact O-N 3.39Å; Y329-L332 PolarHBondContact O-N 3.28Å; L332-D334 VanDerWaalsContact C-N 3.32Å; L332-D334 PolarHBondContact O-N 3.49Å
333I96.1Very high96.6Very high20 Ų2043.3 Ų43.310%0.10321%0.209CC..THydrogen-bonded Turntrans-68.7-33-179-70.6168.6000111.9T273 L277 K287 L291 Y329 L330 L331T273-I333 HydrophobicContact CG2-CG2 4.26Å; L277-I333 HydrophobicContact CD1-CG2 4.42Å; L277-I333 HydrophobicContact CD2-CG2 4.31Å; K287-I333 HydrophobicContact CB-CD1 3.95Å; K287-I333 HydrophobicContact CB-CG1 4.23Å; K287-I333 HydrophobicContact CB-CG2 4.24Å; K287-I333 HydrophobicContact CD-CG1 4.2Å; K287-I333 HydrophobicContact CD-CG2 4.08Å; K287-I333 HydrophobicContact CG-CD1 4.26Å; K287-I333 HydrophobicContact CG-CG1 4.1Å; L291-I333 HydrophobicContact CD1-CD1 4.07Å; L291-I333 HydrophobicContact CD1-CG2 4.03Å; L291-I333 HydrophobicContact CD2-CD1 4.05Å; L291-I333 HydrophobicContact CG-CD1 3.72Å; Y329-I333 HydrophobicContact CE1-CD1 4.24Å; Y329-I333 HydrophobicContact CE1-CG1 4.47Å; L330-I333 HydrophobicContact CD2-CD1 4.2Å; L330-I333 WeakPolarHBondContact O-CB 3.47Å; L330-I333 PolarHBondContact O-N 2.91Å; L331-I333 PolarHBondContact O-N 3.5Å
334D95Very high96.7Very high40 Ų4042.4 Ų42.421%0.21421%0.205CC..  trans-155.2124.5-172.6171.947.1000110.1T273 L332 H336 L337 R338T273-D334 HydrophobicContact CG2-CB 3.39Å; T273-D334 PolarHBondContact OG1-OD2 3.09Å; L332-D334 VanDerWaalsContact C-N 3.32Å; L332-D334 PolarHBondContact O-N 3.49Å; D334-H336 VanDerWaalsContact C-N 3.31Å; D334-H336 PolarHBondContact O-N 3.22Å; D334-H336 IonicContact OD1-ND1 3.72Å; D334-L337 HydrophobicContact CB-CB 3.94Å; D334-L337 WeakPolarHBondContact O-CB 3.25Å; D334-L337 PolarHBondContact O-N 3.03Å; D334-L337 VanDerWaalsContact O-N 3.11Å; D334-L337 WeakPolarHBondContact OD2-CB 3.43Å; D334-L337 PolarHBondContact OD2-N 3.5Å; D334-L337 VanDerWaalsContact OD2-N 3.12Å; D334-R338 PolarHBondContact O-N 3.23Å; D334-R338 VanDerWaalsContact O-N 3.12Å
335E94.1Very high96.8Very high149 Ų14941.7 Ų41.770%0.69620%0.2SC*.Hα-helixtrans-60.8-40.8-177.4-172.3-179.8175.300111.9L337 R338 T339E335-L337 VanDerWaalsContact C-N 3.27Å; E335-L337 PolarHBondContact O-N 2.97Å; E335-R338 WeakPolarHBondContact O-CB 3.2Å; E335-R338 PolarHBondContact O-N 3.05Å; E335-R338 VanDerWaalsContact O-N 3.09Å; E335-T339 PolarHBondContact O-N 3.41Å; E335-T339 PolarHBondContact O-OG1 3.02Å; E335-T339 VanDerWaalsContact O-OG1 3.11Å
336H94.1Very high96.9Very high86 Ų8640.7 Ų40.740%0.39820%0.197SC..Hα-helixtrans-63-35.7177.5-63.984.6000111.9D334 S340 M369D334-H336 VanDerWaalsContact C-N 3.31Å; D334-H336 PolarHBondContact O-N 3.22Å; D334-H336 IonicContact OD1-ND1 3.72Å; H336-S340 VanDerWaalsContact O-CB 3.25Å; H336-S340 WeakPolarHBondContact O-CB 3.48Å; H336-S340 PolarHBondContact O-N 3.2Å; H336-S340 PolarHBondContact O-OG 3.08Å; H336-M369 PolarHBondContact CD2-O 3Å
337L96.4Very high97Very high0 Ų040.8 Ų40.80%020%0.198CC..Hα-helixtrans-64.7-43.1174.2-175.666.1000111F266 Q269 R270 T273 L291 L331 D334 E335 S340 Y341F266-L337 HydrophobicContact CE2-CD1 3.77Å; F266-L337 HydrophobicContact CZ-CD1 3.97Å; Q269-L337 HydrophobicContact CG-CD1 4.13Å; R270-L337 HydrophobicContact CB-CD1 4.14Å; T273-L337 HydrophobicContact CG2-CD2 4.26Å; L291-L337 HydrophobicContact CD2-CD2 3.81Å; L331-L337 HydrophobicContact CD2-CG 4.23Å; D334-L337 HydrophobicContact CB-CB 3.94Å; D334-L337 WeakPolarHBondContact O-CB 3.25Å; D334-L337 PolarHBondContact O-N 3.03Å; D334-L337 VanDerWaalsContact O-N 3.11Å; D334-L337 WeakPolarHBondContact OD2-CB 3.43Å; D334-L337 PolarHBondContact OD2-N 3.5Å; D334-L337 VanDerWaalsContact OD2-N 3.12Å; E335-L337 VanDerWaalsContact C-N 3.27Å; E335-L337 PolarHBondContact O-N 2.97Å; L337-S340 PolarHBondContact O-N 3.31Å; L337-Y341 WeakPolarHBondContact O-CB 3.49Å; L337-Y341 PolarHBondContact O-N 3.26Å
338R97.2Very high97Very high101 Ų10140.5 Ų40.538%0.38120%0.196SC..Hα-helixtrans-60.8-53.9175.717660.6-177.3-124.71111.4D328 L331 D334 E335 S340 Y341 D342D328-R338 IonicContact OD1-NH1 3.99Å; L331-R338 HydrophobicContact CB-CB 4.38Å; D334-R338 PolarHBondContact O-N 3.23Å; D334-R338 VanDerWaalsContact O-N 3.12Å; E335-R338 WeakPolarHBondContact O-CB 3.2Å; E335-R338 PolarHBondContact O-N 3.05Å; E335-R338 VanDerWaalsContact O-N 3.09Å; R338-S340 VanDerWaalsContact C-N 3.27Å; R338-S340 PolarHBondContact O-N 3.25Å; R338-Y341 WeakPolarHBondContact O-CA 3.42Å; R338-Y341 VanDerWaalsContact O-CB 3.31Å; R338-Y341 WeakPolarHBondContact O-CB 3.29Å; R338-Y341 PolarHBondContact O-N 3.41Å; R338-D342 IonicContact NE-OD1 3.31Å; R338-D342 PolarHBondContact NE-OD1 2.96Å; R338-D342 IonicContact NE-OD2 2.94Å; R338-D342 PolarHBondContact NE-OD2 2.82Å; R338-D342 PolarHBondContact O-N 3.3Å
339T96.6Very high97Very high19 Ų1938.8 Ų38.812%0.11719%0.187CC..Hα-helixtrans-58.6-41.2179.4-46.30000111.9E335 Y341 D342 V343 P367 M369 L370E335-T339 PolarHBondContact O-N 3.41Å; E335-T339 PolarHBondContact O-OG1 3.02Å; E335-T339 VanDerWaalsContact O-OG1 3.11Å; T339-Y341 VanDerWaalsContact C-N 3.32Å; T339-Y341 PolarHBondContact O-N 2.88Å; T339-D342 PolarHBondContact O-N 3.49Å; T339-V343 WeakPolarHBondContact O-CG2 3.1Å; T339-V343 PolarHBondContact O-N 3.41Å; T339-V343 VanDerWaalsContact O-N 3.16Å; T339-P367 HydrophobicContact CG2-CB 4.29Å; T339-P367 HydrophobicContact CG2-CG 4.32Å; T339-M369 HydrophobicContact CG2-CE 3.51Å; T339-M369 HydrophobicContact CG2-CG 4.16Å; T339-M369 HydrophobicContact CG2-SD 4.4Å; T339-L370 HydrophobicContact CG2-CD2 3.84Å; T339-L370 HydrophobicContact CG2-CG 4.47Å
340S97.6Very high97Very high0 Ų035.6 Ų35.60%018%0.175CC..Hα-helixtrans-67.3-33.8177.4-57.30000112.3H336 L337 R338 Y344 F374H336-S340 VanDerWaalsContact O-CB 3.25Å; H336-S340 WeakPolarHBondContact O-CB 3.48Å; H336-S340 PolarHBondContact O-N 3.2Å; H336-S340 PolarHBondContact O-OG 3.08Å; L337-S340 PolarHBondContact O-N 3.31Å; R338-S340 VanDerWaalsContact C-N 3.27Å; R338-S340 PolarHBondContact O-N 3.25Å; S340-Y344 WeakPolarHBondContact O-CB 3.38Å; S340-Y344 PolarHBondContact O-N 2.78Å; S340-F374 WeakPolarHBondContact O-CZ 3.18Å
341Y98Very high97.1Very high7 Ų736 Ų363%0.02718%0.177CC..Hα-helixtrans-65.1-46.5174.9178.8-94.6000111.5F266 I298 N302 L327 L331 L337 R338 T339 V343 Y344 Q345F266-Y341 AromaticContact CE1-CD2 3.62Å; F266-Y341 HydrophobicContact CE1-CD2 3.62Å; F266-Y341 HydrophobicContact CE1-CE2 4.37Å; F266-Y341 HydrophobicContact CE2-CD2 4.35Å; F266-Y341 AromaticContact CZ-CD2 3.49Å; F266-Y341 HydrophobicContact CZ-CD2 3.49Å; F266-Y341 VanDerWaalsContact CZ-CD2 3.49Å; F266-Y341 HydrophobicContact CZ-CG 4.09Å; I298-Y341 VanDerWaalsContact O-CE2 3.32Å; I298-Y341 WeakPolarHBondContact O-CE2 3.41Å; N302-Y341 PolarHBondContact OD1-OH 3.25Å; L327-Y341 HydrophobicContact CD1-CE2 3.84Å; L327-Y341 HydrophobicContact CD2-CE1 4.23Å; L327-Y341 HydrophobicContact CD2-CE2 4.38Å; L327-Y341 WeakPolarHBondContact CD2-OH 3.38Å; L331-Y341 HydrophobicContact CD1-CD1 3.41Å; L331-Y341 VanDerWaalsContact CD1-CD1 3.41Å; L331-Y341 HydrophobicContact CD1-CD2 4.22Å; L331-Y341 HydrophobicContact CD1-CE1 3.73Å; L331-Y341 HydrophobicContact CD1-CE2 4.46Å; L331-Y341 HydrophobicContact CD1-CG 3.69Å; L331-Y341 HydrophobicContact CD2-CD1 4.24Å; L331-Y341 HydrophobicContact CD2-CD2 3.85Å; L331-Y341 HydrophobicContact CD2-CG 3.61Å; L331-Y341 HydrophobicContact CG-CD1 4.48Å; L331-Y341 HydrophobicContact CG-CG 4.31Å; L337-Y341 WeakPolarHBondContact O-CB 3.49Å; L337-Y341 PolarHBondContact O-N 3.26Å; R338-Y341 WeakPolarHBondContact O-CA 3.42Å; R338-Y341 VanDerWaalsContact O-CB 3.31Å; R338-Y341 WeakPolarHBondContact O-CB 3.29Å; R338-Y341 PolarHBondContact O-N 3.41Å; T339-Y341 VanDerWaalsContact C-N 3.32Å; T339-Y341 PolarHBondContact O-N 2.88Å; Y341-V343 VanDerWaalsContact C-N 3.34Å; Y341-V343 PolarHBondContact O-N 3.02Å; Y341-Y344 HydrophobicContact CD2-CD1 4.41Å; Y341-Y344 WeakPolarHBondContact O-CB 3.49Å; Y341-Y344 PolarHBondContact O-N 2.98Å; Y341-Y344 VanDerWaalsContact O-N 3.16Å; Y341-Q345 HydrophobicContact CD1-CG 4.02Å; Y341-Q345 HydrophobicContact CD2-CG 4.29Å; Y341-Q345 HydrophobicContact CE1-CG 3.54Å; Y341-Q345 HydrophobicContact CE2-CG 3.86Å; Y341-Q345 VanDerWaalsContact CE2-NE2 3.29Å; Y341-Q345 HydrophobicContact CG-CG 4.38Å; Y341-Q345 VanDerWaalsContact CZ-CG 3.45Å; Y341-Q345 WeakPolarHBondContact O-CG 3.5Å; Y341-Q345 PolarHBondContact O-N 3.33Å; Y341-Q345 PolarHBondContact OH-NE2 3.34Å; Y341-Q345 VanDerWaalsContact OH-NE2 3.11Å
342D97.2Very high97Very high57 Ų5739 Ų3931%0.30519%0.193SC..Hα-helixtrans-61.4-45.6-179.1-63.9-25.2000110.3R338 T339 Y344 Q345 N346R338-D342 IonicContact NE-OD1 3.31Å; R338-D342 PolarHBondContact NE-OD1 2.96Å; R338-D342 IonicContact NE-OD2 2.94Å; R338-D342 PolarHBondContact NE-OD2 2.82Å; R338-D342 PolarHBondContact O-N 3.3Å; T339-D342 PolarHBondContact O-N 3.49Å; D342-Y344 PolarHBondContact O-N 3Å; D342-Q345 PolarHBondContact O-N 3.31Å; D342-N346 VanDerWaalsContact O-CB 3.28Å; D342-N346 WeakPolarHBondContact O-CB 3.49Å; D342-N346 PolarHBondContact O-N 3.11Å; D342-N346 PolarHBondContact O-ND2 3.21Å
343V98Very high97Very high15 Ų1535.4 Ų35.49%0.09118%0.183CC..Hα-helixtrans-60-47.6172.5170.40000111.6T339 Y341 Q345 N346 L347 L366 P367 L370 F374T339-V343 WeakPolarHBondContact O-CG2 3.1Å; T339-V343 PolarHBondContact O-N 3.41Å; T339-V343 VanDerWaalsContact O-N 3.16Å; Y341-V343 VanDerWaalsContact C-N 3.34Å; Y341-V343 PolarHBondContact O-N 3.02Å; V343-Q345 PolarHBondContact O-N 3.24Å; V343-N346 PolarHBondContact O-N 3.35Å; V343-L347 HydrophobicContact CG1-CD1 3.88Å; V343-L347 HydrophobicContact CG1-CG 4.4Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 VanDerWaalsContact O-CG 3.25Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 2.94Å; V343-L366 HydrophobicContact CG1-CD2 3.46Å; V343-L366 VanDerWaalsContact CG1-CD2 3.46Å; V343-L366 HydrophobicContact CG2-CD2 4.37Å; V343-P367 HydrophobicContact CG2-CG 4.06Å; V343-L370 HydrophobicContact CG2-CD1 4.19Å; V343-L370 HydrophobicContact CG2-CD2 4.22Å; V343-F374 HydrophobicContact CB-CE1 4.23Å; V343-F374 HydrophobicContact CG1-CE1 3.97Å; V343-F374 HydrophobicContact CG1-CZ 4.38Å
344Y98.2Very high97Very high2 Ų240.2 Ų40.21%0.00820%0.203CC..Hα-helixtrans-57.9-47.2179.6162.8-112.7000112.2L262 N263 F266 L299 S340 Y341 D342 L348L262-Y344 HydrophobicContact CB-CD2 4.09Å; L262-Y344 HydrophobicContact CB-CE2 4.11Å; N263-Y344 VanDerWaalsContact OD1-CE2 3.3Å; N263-Y344 WeakPolarHBondContact OD1-CE2 3.41Å; N263-Y344 PolarHBondContact OD1-OH 3.48Å; F266-Y344 HydrophobicContact CB-CD1 4.22Å; F266-Y344 HydrophobicContact CB-CD2 3.86Å; F266-Y344 HydrophobicContact CB-CE2 4.32Å; F266-Y344 HydrophobicContact CB-CG 3.79Å; F266-Y344 AromaticContact CD1-CD1 3.43Å; F266-Y344 HydrophobicContact CD1-CD1 3.43Å; F266-Y344 VanDerWaalsContact CD1-CD1 3.43Å; F266-Y344 AromaticContact CD1-CE1 3.63Å; F266-Y344 HydrophobicContact CD1-CE1 3.63Å; F266-Y344 AromaticContact CD1-CG 3.9Å; F266-Y344 HydrophobicContact CD1-CG 3.9Å; F266-Y344 HydrophobicContact CD2-CG 4.48Å; F266-Y344 AromaticContact CE1-CD1 3.94Å; F266-Y344 HydrophobicContact CE1-CD1 3.94Å; F266-Y344 HydrophobicContact CE1-CE1 4.18Å; F266-Y344 AromaticContact CG-CD1 3.82Å; F266-Y344 HydrophobicContact CG-CD1 3.82Å; F266-Y344 HydrophobicContact CG-CD2 4.35Å; F266-Y344 HydrophobicContact CG-CE1 4.36Å; F266-Y344 AromaticContact CG-CG 3.8Å; F266-Y344 HydrophobicContact CG-CG 3.8Å; L299-Y344 PolarHBondContact O-OH 3.06Å; S340-Y344 WeakPolarHBondContact O-CB 3.38Å; S340-Y344 PolarHBondContact O-N 2.78Å; Y341-Y344 HydrophobicContact CD2-CD1 4.41Å; Y341-Y344 WeakPolarHBondContact O-CB 3.49Å; Y341-Y344 PolarHBondContact O-N 2.98Å; Y341-Y344 VanDerWaalsContact O-N 3.16Å; D342-Y344 PolarHBondContact O-N 3Å; Y344-L348 HydrophobicContact CD1-CD1 4.24Å; Y344-L348 HydrophobicContact CD2-CD1 4.01Å; Y344-L348 HydrophobicContact CD2-CG 4.27Å; Y344-L348 HydrophobicContact CE1-CD1 3.71Å; Y344-L348 HydrophobicContact CE2-CD1 3.43Å; Y344-L348 VanDerWaalsContact CE2-CD1 3.43Å; Y344-L348 HydrophobicContact CE2-CD2 4.27Å; Y344-L348 HydrophobicContact CE2-CG 3.95Å; Y344-L348 HydrophobicContact CG-CD1 4.38Å; Y344-L348 VanDerWaalsContact O-CG 3.28Å; Y344-L348 WeakPolarHBondContact O-CG 3.45Å; Y344-L348 PolarHBondContact O-N 3.25Å; Y344-L348 VanDerWaalsContact O-N 3.09Å
345Q98.1Very high97.2Very high0 Ų041.7 Ų41.70%021%0.211CC..Hα-helixtrans-69.7-42.7179.6-66.6-67.3-2100112K300 N302 Y341 D342 V343 L347 L348 D349K300-Q345 PolarHBondContact O-NE2 3.12Å; N302-Q345 WeakPolarHBondContact ND2-CB 3.39Å; Y341-Q345 HydrophobicContact CD1-CG 4.02Å; Y341-Q345 HydrophobicContact CD2-CG 4.29Å; Y341-Q345 HydrophobicContact CE1-CG 3.54Å; Y341-Q345 HydrophobicContact CE2-CG 3.86Å; Y341-Q345 VanDerWaalsContact CE2-NE2 3.29Å; Y341-Q345 HydrophobicContact CG-CG 4.38Å; Y341-Q345 VanDerWaalsContact CZ-CG 3.45Å; Y341-Q345 WeakPolarHBondContact O-CG 3.5Å; Y341-Q345 PolarHBondContact O-N 3.33Å; Y341-Q345 PolarHBondContact OH-NE2 3.34Å; Y341-Q345 VanDerWaalsContact OH-NE2 3.11Å; D342-Q345 PolarHBondContact O-N 3.31Å; V343-Q345 PolarHBondContact O-N 3.24Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 3.22Å; Q345-L348 WeakPolarHBondContact O-CB 3.43Å; Q345-L348 PolarHBondContact O-N 3.03Å; Q345-D349 PolarHBondContact O-N 3.04Å
346N97.8Very high97.3Very high67 Ų6738.8 Ų38.836%0.35819%0.194SC..Hα-helixtrans-58.5-41.3176.9-71.8-17.9000111.8D342 V343 D349 A350D342-N346 VanDerWaalsContact O-CB 3.28Å; D342-N346 WeakPolarHBondContact O-CB 3.49Å; D342-N346 PolarHBondContact O-N 3.11Å; D342-N346 PolarHBondContact O-ND2 3.21Å; V343-N346 PolarHBondContact O-N 3.35Å; N346-D349 PolarHBondContact O-N 3.43Å; N346-A350 WeakPolarHBondContact O-CB 3.4Å; N346-A350 PolarHBondContact O-N 3.24Å
347L98.4Very high97.5Very high1 Ų138.6 Ų38.61%0.00520%0.2CC..Hα-helixtrans-66-39.5174.7-69.9174.4000112.3L262 V343 Q345 D349 F351 F359 R362 I363 I378L262-L347 HydrophobicContact CD1-CB 4.18Å; L262-L347 HydrophobicContact CD2-CB 4.42Å; L262-L347 HydrophobicContact CD2-CD1 3.89Å; V343-L347 HydrophobicContact CG1-CD1 3.88Å; V343-L347 HydrophobicContact CG1-CG 4.4Å; V343-L347 WeakPolarHBondContact O-CB 3.03Å; V343-L347 VanDerWaalsContact O-CG 3.25Å; V343-L347 WeakPolarHBondContact O-CG 3.21Å; V343-L347 PolarHBondContact O-N 2.94Å; Q345-L347 VanDerWaalsContact C-N 3.28Å; Q345-L347 PolarHBondContact O-N 3.22Å; L347-D349 VanDerWaalsContact C-N 3.35Å; L347-F351 WeakPolarHBondContact O-CB 3.47Å; L347-F351 PolarHBondContact O-N 2.82Å; L347-F359 HydrophobicContact CB-CD2 4.4Å; L347-F359 HydrophobicContact CB-CE2 3.97Å; L347-F359 HydrophobicContact CD2-CD2 4.02Å; L347-F359 HydrophobicContact CD2-CE2 3.99Å; L347-F359 WeakPolarHBondContact O-CD2 3.19Å; L347-F359 WeakPolarHBondContact O-CE2 3.47Å; L347-R362 HydrophobicContact CD2-CB 3.84Å; L347-I363 HydrophobicContact CD1-CG1 4.44Å; L347-I363 HydrophobicContact CD2-CD1 4.26Å; L347-I363 HydrophobicContact CD2-CG1 3.62Å; L347-I378 HydrophobicContact CD1-CD1 4.13Å; L347-I378 HydrophobicContact CD1-CG2 3.73Å
348L98.1Very high97.6Very high1 Ų140.3 Ų40.31%0.00521%0.209CC..Hα-helixtrans-64.5-40.2175.2-70.9172.5000112.1I259 L262 K301 Y344 Q345 F351 D352I259-L348 HydrophobicContact CD1-CD2 3.54Å; I259-L348 HydrophobicContact CG2-CD2 4.36Å; L262-L348 HydrophobicContact CD1-CD2 3.96Å; L262-L348 HydrophobicContact CD1-CG 4.48Å; K301-L348 HydrophobicContact CG-CD1 4.15Å; Y344-L348 HydrophobicContact CD1-CD1 4.24Å; Y344-L348 HydrophobicContact CD2-CD1 4.01Å; Y344-L348 HydrophobicContact CD2-CG 4.27Å; Y344-L348 HydrophobicContact CE1-CD1 3.71Å; Y344-L348 HydrophobicContact CE2-CD1 3.43Å; Y344-L348 VanDerWaalsContact CE2-CD1 3.43Å; Y344-L348 HydrophobicContact CE2-CD2 4.27Å; Y344-L348 HydrophobicContact CE2-CG 3.95Å; Y344-L348 HydrophobicContact CG-CD1 4.38Å; Y344-L348 VanDerWaalsContact O-CG 3.28Å; Y344-L348 WeakPolarHBondContact O-CG 3.45Å; Y344-L348 PolarHBondContact O-N 3.25Å; Y344-L348 VanDerWaalsContact O-N 3.09Å; Q345-L348 WeakPolarHBondContact O-CB 3.43Å; Q345-L348 PolarHBondContact O-N 3.03Å; L348-F351 PolarHBondContact O-N 2.94Å; L348-D352 WeakPolarHBondContact O-CB 3.46Å; L348-D352 PolarHBondContact O-N 3.42Å
349D97.5Very high97.7Very high37 Ų3735.5 Ų35.520%0.19819%0.191CC..Hα-helixtrans-65.6-47.1179.3-81.4-43.3000111.7R303 Q345 N346 L347 F351 D352 A353R303-D349 IonicContact CZ-OD1 3.42Å; R303-D349 IonicContact NE-OD1 3.05Å; R303-D349 PolarHBondContact NE-OD1 3.22Å; R303-D349 IonicContact NH2-OD1 3.99Å; R303-D349 PolarHBondContact NH2-OD1 2.88Å; R303-D349 VanDerWaalsContact NH2-OD1 3.09Å; Q345-D349 PolarHBondContact O-N 3.04Å; N346-D349 PolarHBondContact O-N 3.43Å; L347-D349 VanDerWaalsContact C-N 3.35Å; D349-F351 VanDerWaalsContact C-N 3.33Å; D349-F351 PolarHBondContact O-N 3.02Å; D349-D352 PolarHBondContact O-N 3.05Å; D349-A353 WeakPolarHBondContact O-CB 3.4Å; D349-A353 PolarHBondContact O-N 2.9Å
350A97.8Very high97.7Very high2 Ų234.9 Ų34.92%0.01719%0.186CC..Hα-helixtrans-60.3-43.1174.500000111.7N346 A353 K354 D355 D358 F359N346-A350 WeakPolarHBondContact O-CB 3.4Å; N346-A350 PolarHBondContact O-N 3.24Å; A350-A353 PolarHBondContact O-N 2.87Å; A350-K354 PolarHBondContact O-N 3.32Å; A350-K354 VanDerWaalsContact O-N 3.16Å; A350-D355 PolarHBondContact O-N 3.17Å; A350-D358 HydrophobicContact CB-CB 4.4Å; A350-D358 WeakPolarHBondContact CB-OD2 3.34Å; A350-F359 HydrophobicContact CB-CB 3.99Å; A350-F359 HydrophobicContact CB-CD2 4.23Å
351F97.7Very high97.7Very high9 Ų940.1 Ų40.14%0.03921%0.211CC..Hα-helixtrans-66.5-41.7179.3-166.2-85.7000112.5R255 V258 I259 L347 L348 D349 A353 K354 F359 I388 L392R255-F351 HydrophobicContact CB-CE1 3.95Å; R255-F351 HydrophobicContact CB-CZ 3.93Å; R255-F351 HydrophobicContact CG-CE1 4.25Å; R255-F351 HydrophobicContact CG-CZ 4.03Å; V258-F351 HydrophobicContact CB-CE2 3.77Å; V258-F351 HydrophobicContact CB-CZ 3.83Å; V258-F351 HydrophobicContact CG1-CD2 3.98Å; V258-F351 HydrophobicContact CG1-CE2 3.5Å; V258-F351 HydrophobicContact CG1-CZ 4.07Å; V258-F351 HydrophobicContact CG2-CE2 4.08Å; V258-F351 HydrophobicContact CG2-CZ 4.16Å; I259-F351 HydrophobicContact CD1-CD1 3.56Å; I259-F351 HydrophobicContact CD1-CE1 3.89Å; I259-F351 HydrophobicContact CD1-CG 4.15Å; I259-F351 HydrophobicContact CG1-CD1 4.19Å; I259-F351 HydrophobicContact CG1-CE1 4Å; L347-F351 WeakPolarHBondContact O-CB 3.47Å; L347-F351 PolarHBondContact O-N 2.82Å; L348-F351 PolarHBondContact O-N 2.94Å; D349-F351 VanDerWaalsContact C-N 3.33Å; D349-F351 PolarHBondContact O-N 3.02Å; F351-A353 VanDerWaalsContact C-N 3.32Å; F351-K354 PolarHBondContact O-N 3.2Å; F351-F359 HydrophobicContact CB-CD2 3.94Å; F351-F359 HydrophobicContact CB-CE2 3.94Å; F351-F359 HydrophobicContact CD2-CD2 4.17Å; F351-F359 AromaticContact CD2-CE2 3.82Å; F351-F359 HydrophobicContact CD2-CE2 3.82Å; F351-F359 HydrophobicContact CD2-CZ 4.03Å; F351-F359 HydrophobicContact CG-CE2 4.34Å; F351-I388 HydrophobicContact CE2-CG2 4.2Å; F351-L392 HydrophobicContact CD1-CD2 4.15Å; F351-L392 HydrophobicContact CD2-CD1 4.01Å; F351-L392 HydrophobicContact CD2-CD2 3.85Å; F351-L392 HydrophobicContact CD2-CG 4.36Å; F351-L392 HydrophobicContact CE1-CD2 3.97Å; F351-L392 HydrophobicContact CE2-CD1 4.19Å; F351-L392 HydrophobicContact CE2-CD2 3.63Å; F351-L392 HydrophobicContact CE2-CG 4.11Å; F351-L392 HydrophobicContact CG-CD2 4.1Å; F351-L392 HydrophobicContact CZ-CD2 3.71Å
352D96.1Very high97.7Very high67 Ų6744.1 Ų44.136%0.35823%0.226SC..Hα-helixtrans-67-33.8175.9-79.4-8.8000111.9K301 L348 D349 K354K301-D352 WeakPolarHBondContact CD-OD2 3.42Å; K301-D352 WeakPolarHBondContact CE-OD2 3.36Å; K301-D352 IonicContact NZ-OD1 3.24Å; K301-D352 PolarHBondContact NZ-OD1 3.5Å; K301-D352 IonicContact NZ-OD2 3.69Å; K301-D352 PolarHBondContact NZ-OD2 3.29Å; L348-D352 WeakPolarHBondContact O-CB 3.46Å; L348-D352 PolarHBondContact O-N 3.42Å; D349-D352 PolarHBondContact O-N 3.05Å; D352-K354 PolarHBondContact O-N 3.34Å
353A96.7Very high97.8Very high64 Ų6441.5 Ų41.553%0.52921%0.212SC..THydrogen-bonded Turntrans-71.1-8.9171.600000113.2D349 A350 F351 D355D349-A353 WeakPolarHBondContact O-CB 3.4Å; D349-A353 PolarHBondContact O-N 2.9Å; A350-A353 PolarHBondContact O-N 2.87Å; F351-A353 VanDerWaalsContact C-N 3.32Å; A353-D355 HydrophobicContact CB-CB 4.42Å; A353-D355 PolarHBondContact O-N 3.46Å
354K97.3Very high97.7Very high120 Ų12044.8 Ų44.852%0.52223%0.229SC..THydrogen-bonded Turntrans57.222.4-171.5-56179.1178178.30113.7A350 F351 D352 Y356 L392A350-K354 PolarHBondContact O-N 3.32Å; A350-K354 VanDerWaalsContact O-N 3.16Å; F351-K354 PolarHBondContact O-N 3.2Å; D352-K354 PolarHBondContact O-N 3.34Å; K354-Y356 PolarHBondContact O-N 3.1Å; K354-Y356 VanDerWaalsContact O-N 3.15Å; K354-L392 HydrophobicContact CB-CB 4.43Å; K354-L392 HydrophobicContact CG-CD2 4.45Å
355D97.9Very high97.6Very high71 Ų7151.6 Ų51.638%0.3826%0.26SS..  trans-84.689.1176.3-168.1-21.6000109A350 A353 T357 D358 F359A350-D355 PolarHBondContact O-N 3.17Å; A353-D355 HydrophobicContact CB-CB 4.42Å; A353-D355 PolarHBondContact O-N 3.46Å; D355-T357 PolarHBondContact O-N 3.44Å; D355-T357 WeakPolarHBondContact OD1-CB 3.34Å; D355-T357 PolarHBondContact OD1-N 3.5Å; D355-D358 HydrophobicContact CB-CB 4.04Å; D355-D358 VanDerWaalsContact CG-CB 3.46Å; D355-D358 PolarHBondContact OD1-N 3.03Å; D355-F359 WeakPolarHBondContact O-CB 3.18Å; D355-F359 PolarHBondContact O-N 3.4Å
356Y97.7Very high97.6Very high88 Ų8852.3 Ų52.335%0.34526%0.264SS..Hα-helixtrans-69.6-20.8179.259.9-95.6000112.6K354 Y360 I389K354-Y356 PolarHBondContact O-N 3.1Å; K354-Y356 VanDerWaalsContact O-N 3.15Å; Y356-Y360 VanDerWaalsContact O-CD2 3.3Å; Y356-Y360 WeakPolarHBondContact O-CD2 3.32Å; Y356-Y360 PolarHBondContact O-N 2.99Å; Y356-I389 HydrophobicContact CD1-CG2 4.45Å; Y356-I389 HydrophobicContact CD2-CG1 4.1Å; Y356-I389 HydrophobicContact CD2-CG2 3.99Å; Y356-I389 HydrophobicContact CE2-CG2 4.24Å; Y356-I389 HydrophobicContact CG-CG1 4.29Å; Y356-I389 HydrophobicContact CG-CG2 4.1Å
357T98Very high97.5Very high83 Ų8350.8 Ų50.851%0.50926%0.258SS..Hα-helixtrans-72.2-55.9176.8-56.90000108.9D355 F359 Y360 E361D355-T357 PolarHBondContact O-N 3.44Å; D355-T357 WeakPolarHBondContact OD1-CB 3.34Å; D355-T357 PolarHBondContact OD1-N 3.5Å; T357-F359 VanDerWaalsContact C-N 3.28Å; T357-F359 PolarHBondContact O-N 3.32Å; T357-Y360 PolarHBondContact O-N 2.69Å; T357-E361 WeakPolarHBondContact O-CB 3.3Å; T357-E361 PolarHBondContact O-N 3.46Å
358D98Very high97.2Very high36 Ų3656.4 Ų56.419%0.19330%0.295CS..Hα-helixtrans-59.3-39.7176-17952.8000111.4A350 D355 Y360 E361 R362A350-D358 HydrophobicContact CB-CB 4.4Å; A350-D358 WeakPolarHBondContact CB-OD2 3.34Å; D355-D358 HydrophobicContact CB-CB 4.04Å; D355-D358 VanDerWaalsContact CG-CB 3.46Å; D355-D358 PolarHBondContact OD1-N 3.03Å; D358-Y360 PolarHBondContact O-N 2.99Å; D358-E361 PolarHBondContact O-N 3.1Å; D358-R362 WeakPolarHBondContact O-CB 3.29Å; D358-R362 VanDerWaalsContact O-CG 3.23Å; D358-R362 WeakPolarHBondContact O-CG 3.43Å; D358-R362 PolarHBondContact O-N 2.85Å; D358-R362 IonicContact OD1-CZ 2.67Å; D358-R362 VanDerWaalsContact OD1-CZ 3.26Å; D358-R362 IonicContact OD1-NE 3.37Å; D358-R362 PolarHBondContact OD1-NE 2.78Å; D358-R362 IonicContact OD1-NH2 2.87Å; D358-R362 PolarHBondContact OD1-NH2 3.25Å; D358-R362 IonicContact OD2-CZ 2.68Å; D358-R362 IonicContact OD2-NE 3.11Å; D358-R362 PolarHBondContact OD2-NE 3.38Å; D358-R362 IonicContact OD2-NH2 3.64Å; D358-R362 PolarHBondContact OD2-NH2 3.45Å
359F98.4Very high96.9Very high0 Ų061.2 Ų61.20%032%0.318CS..Hα-helixtrans-58.5-47.3177.6-176.3-99.5000112.6V258 L262 L347 A350 F351 D355 T357 I363 L381 I388V258-F359 HydrophobicContact CG1-CZ 4.21Å; L262-F359 HydrophobicContact CD1-CE2 4.31Å; L347-F359 HydrophobicContact CB-CD2 4.4Å; L347-F359 HydrophobicContact CB-CE2 3.97Å; L347-F359 HydrophobicContact CD2-CD2 4.02Å; L347-F359 HydrophobicContact CD2-CE2 3.99Å; L347-F359 WeakPolarHBondContact O-CD2 3.19Å; L347-F359 WeakPolarHBondContact O-CE2 3.47Å; A350-F359 HydrophobicContact CB-CB 3.99Å; A350-F359 HydrophobicContact CB-CD2 4.23Å; F351-F359 HydrophobicContact CB-CD2 3.94Å; F351-F359 HydrophobicContact CB-CE2 3.94Å; F351-F359 HydrophobicContact CD2-CD2 4.17Å; F351-F359 AromaticContact CD2-CE2 3.82Å; F351-F359 HydrophobicContact CD2-CE2 3.82Å; F351-F359 HydrophobicContact CD2-CZ 4.03Å; F351-F359 HydrophobicContact CG-CE2 4.34Å; D355-F359 WeakPolarHBondContact O-CB 3.18Å; D355-F359 PolarHBondContact O-N 3.4Å; T357-F359 VanDerWaalsContact C-N 3.28Å; T357-F359 PolarHBondContact O-N 3.32Å; F359-I363 HydrophobicContact CD1-CD1 3.88Å; F359-I363 HydrophobicContact CE1-CD1 3.42Å; F359-I363 VanDerWaalsContact CE1-CD1 3.42Å; F359-I363 HydrophobicContact CZ-CD1 3.87Å; F359-I363 WeakPolarHBondContact O-CG1 3.4Å; F359-I363 PolarHBondContact O-N 2.94Å; F359-L381 HydrophobicContact CE1-CD1 4.33Å; F359-L381 HydrophobicContact CZ-CD1 3.93Å; F359-I388 HydrophobicContact CE1-CG2 4.3Å
360Y98.2Very high96.8Very high6 Ų659.8 Ų59.82%0.02431%0.311CS..Hα-helixtrans-79.6-31.6179.9-83-70.4000113Y356 T357 D358 R362 I363 D364 N382 K385 I388 I389Y356-Y360 VanDerWaalsContact O-CD2 3.3Å; Y356-Y360 WeakPolarHBondContact O-CD2 3.32Å; Y356-Y360 PolarHBondContact O-N 2.99Å; T357-Y360 PolarHBondContact O-N 2.69Å; D358-Y360 PolarHBondContact O-N 2.99Å; Y360-R362 VanDerWaalsContact C-N 3.26Å; Y360-R362 PolarHBondContact O-N 3.41Å; Y360-I363 HydrophobicContact CD1-CB 4.49Å; Y360-I363 HydrophobicContact CD1-CD1 4.11Å; Y360-I363 HydrophobicContact CE1-CD1 4.06Å; Y360-I363 PolarHBondContact O-N 3.06Å; Y360-I363 VanDerWaalsContact O-N 3.07Å; Y360-D364 WeakPolarHBondContact O-CB 3.48Å; Y360-D364 VanDerWaalsContact O-CG 3.26Å; Y360-D364 PolarHBondContact O-N 2.96Å; Y360-N382 WeakPolarHBondContact CD1-OD1 3.43Å; Y360-N382 VanDerWaalsContact CE1-OD1 3.26Å; Y360-N382 WeakPolarHBondContact CE1-OD1 3.16Å; Y360-K385 HydrophobicContact CD1-CD 3.8Å; Y360-K385 HydrophobicContact CD1-CG 3.97Å; Y360-K385 HydrophobicContact CD2-CG 4.18Å; Y360-K385 HydrophobicContact CE1-CB 4.04Å; Y360-K385 HydrophobicContact CE1-CD 3.95Å; Y360-K385 HydrophobicContact CE1-CG 3.68Å; Y360-K385 HydrophobicContact CE2-CG 3.92Å; Y360-K385 HydrophobicContact CG-CD 4.16Å; Y360-K385 HydrophobicContact CG-CG 4.24Å; Y360-K385 WeakPolarHBondContact OH-CA 3.25Å; Y360-I388 HydrophobicContact CE2-CG2 4.22Å; Y360-I388 VanDerWaalsContact OH-CB 3.24Å; Y360-I388 WeakPolarHBondContact OH-CB 3.41Å; Y360-I388 WeakPolarHBondContact OH-CD1 3.38Å; Y360-I388 WeakPolarHBondContact OH-CG2 3.47Å; Y360-I389 HydrophobicContact CD2-CD1 4.43Å; Y360-I389 HydrophobicContact CD2-CG1 4.15Å; Y360-I389 HydrophobicContact CE2-CD1 4.38Å; Y360-I389 HydrophobicContact CE2-CG1 3.84Å
361E97.7Very high96.6Very high109 Ų10960.3 Ų60.351%0.50931%0.313SS..Hα-helixtrans-57.3-43.1172.3-172.8175.8176.900110.9T357 D358 I363 D364 H365T357-E361 WeakPolarHBondContact O-CB 3.3Å; T357-E361 PolarHBondContact O-N 3.46Å; D358-E361 PolarHBondContact O-N 3.1Å; E361-I363 PolarHBondContact O-N 3.46Å; E361-D364 PolarHBondContact O-N 3.23Å; E361-H365 PolarHBondContact O-N 2.86Å; E361-H365 PolarHBondContact O-ND1 3.48Å
362R97.6Very high96.5Very high92 Ų9264.6 Ų64.635%0.34734%0.342SS..Hα-helixtrans-65.7-32.7174.1-68.1171.7-170.1-72.3-7.9113.8L347 D358 Y360L347-R362 HydrophobicContact CD2-CB 3.84Å; D358-R362 WeakPolarHBondContact O-CB 3.29Å; D358-R362 VanDerWaalsContact O-CG 3.23Å; D358-R362 WeakPolarHBondContact O-CG 3.43Å; D358-R362 PolarHBondContact O-N 2.85Å; D358-R362 IonicContact OD1-CZ 2.67Å; D358-R362 VanDerWaalsContact OD1-CZ 3.26Å; D358-R362 IonicContact OD1-NE 3.37Å; D358-R362 PolarHBondContact OD1-NE 2.78Å; D358-R362 IonicContact OD1-NH2 2.87Å; D358-R362 PolarHBondContact OD1-NH2 3.25Å; D358-R362 IonicContact OD2-CZ 2.68Å; D358-R362 IonicContact OD2-NE 3.11Å; D358-R362 PolarHBondContact OD2-NE 3.38Å; D358-R362 IonicContact OD2-NH2 3.64Å; D358-R362 PolarHBondContact OD2-NH2 3.45Å; Y360-R362 VanDerWaalsContact C-N 3.26Å; Y360-R362 PolarHBondContact O-N 3.41Å
363I98Very high96.5Very high1 Ų163.5 Ų63.51%0.00534%0.342CS..Hα-helixtrans-73.7-37.9176-69176.2000111.2L347 F359 Y360 E361 H365 L366 I378 L379 L381L347-I363 HydrophobicContact CD1-CG1 4.44Å; L347-I363 HydrophobicContact CD2-CD1 4.26Å; L347-I363 HydrophobicContact CD2-CG1 3.62Å; F359-I363 HydrophobicContact CD1-CD1 3.88Å; F359-I363 HydrophobicContact CE1-CD1 3.42Å; F359-I363 VanDerWaalsContact CE1-CD1 3.42Å; F359-I363 HydrophobicContact CZ-CD1 3.87Å; F359-I363 WeakPolarHBondContact O-CG1 3.4Å; F359-I363 PolarHBondContact O-N 2.94Å; Y360-I363 HydrophobicContact CD1-CB 4.49Å; Y360-I363 HydrophobicContact CD1-CD1 4.11Å; Y360-I363 HydrophobicContact CE1-CD1 4.06Å; Y360-I363 PolarHBondContact O-N 3.06Å; Y360-I363 VanDerWaalsContact O-N 3.07Å; E361-I363 PolarHBondContact O-N 3.46Å; I363-H365 VanDerWaalsContact C-N 3.33Å; I363-L366 WeakPolarHBondContact O-CD1 3.4Å; I363-L366 WeakPolarHBondContact O-CG 3.25Å; I363-I378 HydrophobicContact CD1-CG2 4.39Å; I363-I378 HydrophobicContact CG1-CG2 3.93Å; I363-I378 HydrophobicContact CG2-CG2 4.38Å; I363-L379 HydrophobicContact CG2-CD2 4.17Å; I363-L381 HydrophobicContact CD1-CB 4.28Å; I363-L381 HydrophobicContact CD1-CD1 4.08Å
364D96.3Very high96.5Very high85 Ų8560.7 Ų60.746%0.45532%0.318SS..Hα-helixtrans-75.9-26.2-177.5-66.4-24.5000110.7Y360 E361 N382 K385Y360-D364 WeakPolarHBondContact O-CB 3.48Å; Y360-D364 VanDerWaalsContact O-CG 3.26Å; Y360-D364 PolarHBondContact O-N 2.96Å; E361-D364 PolarHBondContact O-N 3.23Å; D364-N382 PolarHBondContact OD1-ND2 3.33Å; D364-K385 IonicContact OD2-NZ 3.2Å; D364-K385 PolarHBondContact OD2-NZ 2.91Å; D364-K385 VanDerWaalsContact OD2-NZ 3.11Å
365H96.6Very high96.5Very high144 Ų14458 Ų5867%0.66731%0.306SS*.THydrogen-bonded Turntrans-107.237.7177-5792.6000114.2E361 I363E361-H365 PolarHBondContact O-N 2.86Å; E361-H365 PolarHBondContact O-ND1 3.48Å; I363-H365 VanDerWaalsContact C-N 3.33Å
366L97.3Very high96.5Very high16 Ų1662.4 Ų62.48%0.08432%0.322CS..  trans-62.3134.5179.1-77.2170.6000112.6V343 I363 L370 K375 I378 L379V343-L366 HydrophobicContact CG1-CD2 3.46Å; V343-L366 VanDerWaalsContact CG1-CD2 3.46Å; V343-L366 HydrophobicContact CG2-CD2 4.37Å; I363-L366 WeakPolarHBondContact O-CD1 3.4Å; I363-L366 WeakPolarHBondContact O-CG 3.25Å; L366-L370 HydrophobicContact CB-CD1 3.99Å; L366-L370 HydrophobicContact CD2-CD1 3.81Å; L366-L370 HydrophobicContact CG-CD1 4.35Å; L366-K375 HydrophobicContact CD1-CG 4.23Å; L366-I378 HydrophobicContact CD1-CB 4.09Å; L366-I378 HydrophobicContact CD1-CG2 3.82Å; L366-I378 HydrophobicContact CD2-CG2 4.28Å; L366-L379 HydrophobicContact CD1-CD2 4.03Å; L366-L379 HydrophobicContact CD1-CG 4.11Å
367P95.3Very high96.5Very high34 Ų3459.3 Ų59.322%0.22131%0.314CS..  trans-56.4141.6-177.5-22.828.5000113.8T339 V343 M369 L370T339-P367 HydrophobicContact CG2-CB 4.29Å; T339-P367 HydrophobicContact CG2-CG 4.32Å; V343-P367 HydrophobicContact CG2-CG 4.06Å; P367-M369 VanDerWaalsContact C-N 3.31Å; P367-M369 HydrophobicContact CB-CE 3.5Å; P367-M369 HydrophobicContact CB-SD 3.37Å; P367-M369 WeakPolarHBondContact CB-SD 3.47Å; P367-M369 HydrophobicContact CG-CE 4.27Å; P367-M369 PolarHBondContact O-N 3.48Å; P367-L370 HydrophobicContact CB-CG 4.27Å; P367-L370 HydrophobicContact CG-CG 4.47Å; P367-L370 WeakPolarHBondContact O-CB 3.46Å; P367-L370 PolarHBondContact O-N 3.02Å
368P92.4Very high96.5Very high120 Ų12055.3 Ų55.378%0.77929%0.29SS*.THydrogen-bonded Turntrans-67.4-29.7-175.625.8-33.8000113.3L370P368-L370 PolarHBondContact O-N 3.18Å
369M92.3Very high96.4Very high102 Ų10256.9 Ų56.950%0.50230%0.298SS..THydrogen-bonded Turntrans-77.3-1.5179.266.5-75.7-166.600114.5H336 T339 P367H336-M369 PolarHBondContact CD2-O 3Å; T339-M369 HydrophobicContact CG2-CE 3.51Å; T339-M369 HydrophobicContact CG2-CG 4.16Å; T339-M369 HydrophobicContact CG2-SD 4.4Å; P367-M369 VanDerWaalsContact C-N 3.31Å; P367-M369 HydrophobicContact CB-CE 3.5Å; P367-M369 HydrophobicContact CB-SD 3.37Å; P367-M369 WeakPolarHBondContact CB-SD 3.47Å; P367-M369 HydrophobicContact CG-CE 4.27Å; P367-M369 PolarHBondContact O-N 3.48Å
370L95.1Very high96.3Very high7 Ų760.5 Ų60.54%0.03731%0.312CS..SBendtrans-61143.7176.8-80.5-179.9000111.8T339 V343 L366 P367 P368 F374 K375T339-L370 HydrophobicContact CG2-CD2 3.84Å; T339-L370 HydrophobicContact CG2-CG 4.47Å; V343-L370 HydrophobicContact CG2-CD1 4.19Å; V343-L370 HydrophobicContact CG2-CD2 4.22Å; L366-L370 HydrophobicContact CB-CD1 3.99Å; L366-L370 HydrophobicContact CD2-CD1 3.81Å; L366-L370 HydrophobicContact CG-CD1 4.35Å; P367-L370 HydrophobicContact CB-CG 4.27Å; P367-L370 HydrophobicContact CG-CG 4.47Å; P367-L370 WeakPolarHBondContact O-CB 3.46Å; P367-L370 PolarHBondContact O-N 3.02Å; P368-L370 PolarHBondContact O-N 3.18Å; L370-F374 HydrophobicContact CD1-CD1 4.24Å; L370-F374 HydrophobicContact CD1-CE1 4.36Å; L370-F374 HydrophobicContact CD2-CD1 3.9Å; L370-F374 HydrophobicContact CD2-CE1 4.07Å; L370-K375 HydrophobicContact CB-CB 4.28Å
371D94.4Very high96.3Very high12 Ų1260.2 Ų60.26%0.06431%0.311CS..  trans-53.1129.8172-179.7-97.2000111.2Q269 K272 A373 F374 K375Q269-D371 VanDerWaalsContact OE1-CB 3.25Å; K272-D371 WeakPolarHBondContact CE-OD2 3.43Å; K272-D371 IonicContact NZ-OD1 3.69Å; K272-D371 IonicContact NZ-OD2 2.61Å; K272-D371 PolarHBondContact NZ-OD2 2.91Å; D371-A373 PolarHBondContact O-N 2.83Å; D371-A373 VanDerWaalsContact O-N 3.17Å; D371-A373 WeakPolarHBondContact OD1-CA 3.41Å; D371-A373 VanDerWaalsContact OD1-CB 3.26Å; D371-A373 WeakPolarHBondContact OD1-CB 3.33Å; D371-A373 PolarHBondContact OD1-N 3.49Å; D371-F374 HydrophobicContact CB-CB 4.03Å; D371-F374 PolarHBondContact O-N 3.47Å; D371-F374 VanDerWaalsContact O-N 3.11Å; D371-F374 PolarHBondContact OD1-N 3.24Å; D371-K375 WeakPolarHBondContact O-CB 3.04Å; D371-K375 PolarHBondContact O-N 3.22Å
372P95.4Very high96.2Very high100 Ų10057.5 Ų57.565%0.64930%0.3SS*.Hα-helixtrans-57.6-34.5-176.6-28.835.1000114.1K376P372-K376 VanDerWaalsContact O-CB 3.24Å; P372-K376 WeakPolarHBondContact O-CB 3.34Å; P372-K376 PolarHBondContact O-N 3.03Å
373A95.7Very high96.1Very high44 Ų4461 Ų6136%0.36432%0.318SS..Hα-helixtrans-75.3-37.5179.800000111.6D371 A377D371-A373 PolarHBondContact O-N 2.83Å; D371-A373 VanDerWaalsContact O-N 3.17Å; D371-A373 WeakPolarHBondContact OD1-CA 3.41Å; D371-A373 VanDerWaalsContact OD1-CB 3.26Å; D371-A373 WeakPolarHBondContact OD1-CB 3.33Å; D371-A373 PolarHBondContact OD1-N 3.49Å; A373-A377 WeakPolarHBondContact O-CB 3.33Å; A373-A377 PolarHBondContact O-N 2.91Å; A373-A377 VanDerWaalsContact O-N 3.15Å
374F97.4Very high95.9Very high4 Ų461.9 Ų61.92%0.01832%0.322CS..Hα-helixtrans-63.6-51.7171.1-178-103.5000110.8A265 F266 Q269 S340 V343 L370 D371 K376 A377 I378A265-F374 HydrophobicContact CB-CD2 3.95Å; A265-F374 HydrophobicContact CB-CE2 3.94Å; F266-F374 HydrophobicContact CB-CE2 3.93Å; F266-F374 HydrophobicContact CD2-CE2 4.31Å; Q269-F374 HydrophobicContact CB-CD2 4.3Å; S340-F374 WeakPolarHBondContact O-CZ 3.18Å; V343-F374 HydrophobicContact CB-CE1 4.23Å; V343-F374 HydrophobicContact CG1-CE1 3.97Å; V343-F374 HydrophobicContact CG1-CZ 4.38Å; L370-F374 HydrophobicContact CD1-CD1 4.24Å; L370-F374 HydrophobicContact CD1-CE1 4.36Å; L370-F374 HydrophobicContact CD2-CD1 3.9Å; L370-F374 HydrophobicContact CD2-CE1 4.07Å; D371-F374 HydrophobicContact CB-CB 4.03Å; D371-F374 PolarHBondContact O-N 3.47Å; D371-F374 VanDerWaalsContact O-N 3.11Å; D371-F374 PolarHBondContact OD1-N 3.24Å; F374-K376 VanDerWaalsContact C-N 3.34Å; F374-K376 PolarHBondContact O-N 3.43Å; F374-A377 WeakPolarHBondContact O-CA 3.43Å; F374-A377 WeakPolarHBondContact O-CB 3.39Å; F374-A377 PolarHBondContact O-N 3.3Å; F374-I378 HydrophobicContact CD1-CG1 4.29Å; F374-I378 HydrophobicContact CE1-CD1 4.41Å; F374-I378 HydrophobicContact CE1-CG1 3.93Å; F374-I378 HydrophobicContact CE2-CD1 4.13Å; F374-I378 HydrophobicContact CE2-CG1 4.35Å; F374-I378 HydrophobicContact CZ-CD1 3.93Å; F374-I378 HydrophobicContact CZ-CG1 3.97Å; F374-I378 WeakPolarHBondContact O-CG1 3.48Å; F374-I378 PolarHBondContact O-N 3.19Å
375K97.6Very high95.9Very high65 Ų6561.4 Ų61.428%0.28332%0.316SS..Hα-helixtrans-54.5-47.7178-173.4170.6-176.2165.90111.8L366 L370 D371 A377 I378 L379L366-K375 HydrophobicContact CD1-CG 4.23Å; L370-K375 HydrophobicContact CB-CB 4.28Å; D371-K375 WeakPolarHBondContact O-CB 3.04Å; D371-K375 PolarHBondContact O-N 3.22Å; K375-A377 VanDerWaalsContact C-N 3.29Å; K375-A377 PolarHBondContact O-N 3.41Å; K375-I378 PolarHBondContact O-N 3.19Å; K375-L379 HydrophobicContact CG-CD1 3.91Å; K375-L379 HydrophobicContact CG-CG 4.37Å; K375-L379 WeakPolarHBondContact O-CB 3.4Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 3.22Å
376K97Very high96Very high163 Ų16360.3 Ų60.371%0.70931%0.311SS*.Hα-helixtrans-59.2-38.2175.5-176.2175.7-177.6173.60112.8P372 F374 Y380P372-K376 VanDerWaalsContact O-CB 3.24Å; P372-K376 WeakPolarHBondContact O-CB 3.34Å; P372-K376 PolarHBondContact O-N 3.03Å; F374-K376 VanDerWaalsContact C-N 3.34Å; F374-K376 PolarHBondContact O-N 3.43Å; K376-Y380 PolarHBondContact O-N 3.24Å; K376-Y380 VanDerWaalsContact O-N 3.08Å
377A97Very high95.9Very high22 Ų2260 Ų6018%0.18231%0.311CS..Hα-helixtrans-70-32.7179.600000112.9Q261 A265 A373 F374 K375Q261-A377 PolarHBondContact NE2-O 3.44Å; A265-A377 HydrophobicContact CB-CB 3.66Å; A373-A377 WeakPolarHBondContact O-CB 3.33Å; A373-A377 PolarHBondContact O-N 2.91Å; A373-A377 VanDerWaalsContact O-N 3.15Å; F374-A377 WeakPolarHBondContact O-CA 3.43Å; F374-A377 WeakPolarHBondContact O-CB 3.39Å; F374-A377 PolarHBondContact O-N 3.3Å; K375-A377 VanDerWaalsContact C-N 3.29Å; K375-A377 PolarHBondContact O-N 3.41Å
378I98.1Very high96.1Very high0 Ų058.4 Ų58.40%030%0.3CS..Hα-helixtrans-73.8-49.5173.1-56.8-55.7000110.5L262 A265 L347 I363 L366 F374 K375 Y380 L381L262-I378 HydrophobicContact CD2-CD1 3.58Å; A265-I378 HydrophobicContact CB-CD1 4.15Å; L347-I378 HydrophobicContact CD1-CD1 4.13Å; L347-I378 HydrophobicContact CD1-CG2 3.73Å; I363-I378 HydrophobicContact CD1-CG2 4.39Å; I363-I378 HydrophobicContact CG1-CG2 3.93Å; I363-I378 HydrophobicContact CG2-CG2 4.38Å; L366-I378 HydrophobicContact CD1-CB 4.09Å; L366-I378 HydrophobicContact CD1-CG2 3.82Å; L366-I378 HydrophobicContact CD2-CG2 4.28Å; F374-I378 HydrophobicContact CD1-CG1 4.29Å; F374-I378 HydrophobicContact CE1-CD1 4.41Å; F374-I378 HydrophobicContact CE1-CG1 3.93Å; F374-I378 HydrophobicContact CE2-CD1 4.13Å; F374-I378 HydrophobicContact CE2-CG1 4.35Å; F374-I378 HydrophobicContact CZ-CD1 3.93Å; F374-I378 HydrophobicContact CZ-CG1 3.97Å; F374-I378 WeakPolarHBondContact O-CG1 3.48Å; F374-I378 PolarHBondContact O-N 3.19Å; K375-I378 PolarHBondContact O-N 3.19Å; I378-Y380 PolarHBondContact O-N 2.79Å; I378-Y380 VanDerWaalsContact O-N 3.09Å; I378-L381 VanDerWaalsContact O-CB 3.28Å; I378-L381 WeakPolarHBondContact O-CB 3.46Å; I378-L381 WeakPolarHBondContact O-CG 3.27Å; I378-L381 PolarHBondContact O-N 2.94Å
379L97.5Very high96.4Very high69 Ų6954 Ų5436%0.36127%0.27SS..Hα-helixtrans-60.3-22.4178.5-70.9174.5000113.3I363 L366 K375 L381 N382I363-L379 HydrophobicContact CG2-CD2 4.17Å; L366-L379 HydrophobicContact CD1-CD2 4.03Å; L366-L379 HydrophobicContact CD1-CG 4.11Å; K375-L379 HydrophobicContact CG-CD1 3.91Å; K375-L379 HydrophobicContact CG-CG 4.37Å; K375-L379 WeakPolarHBondContact O-CB 3.4Å; K375-L379 WeakPolarHBondContact O-CG 3.45Å; K375-L379 PolarHBondContact O-N 3.22Å; L379-L381 PolarHBondContact O-N 3.46Å; L379-N382 WeakPolarHBondContact O-CB 3.45Å; L379-N382 PolarHBondContact O-N 3.39Å
380Y96.3Very high96.6Very high76 Ų7649.7 Ų49.730%0.29825%0.249SC..G310 helixtrans-55.7-30.1171.5176.9-100.1000112.8M234 K376 I378 N382 K383 H384M234-Y380 HydrophobicContact SD-CE1 4.07Å; K376-Y380 PolarHBondContact O-N 3.24Å; K376-Y380 VanDerWaalsContact O-N 3.08Å; I378-Y380 PolarHBondContact O-N 2.79Å; I378-Y380 VanDerWaalsContact O-N 3.09Å; Y380-N382 PolarHBondContact O-N 3.5Å; Y380-K383 HydrophobicContact CD2-CD 3.9Å; Y380-K383 HydrophobicContact CD2-CG 4.49Å; Y380-K383 HydrophobicContact CE2-CD 3.86Å; Y380-K383 VanDerWaalsContact O-CB 3.32Å; Y380-K383 WeakPolarHBondContact O-CB 3.43Å; Y380-K383 PolarHBondContact O-N 3.38Å; Y380-K383 VanDerWaalsContact O-N 3.08Å; Y380-H384 AromaticContact CE1-CD2 3.99Å; Y380-H384 AromaticContact CE1-NE2 3.98Å; Y380-H384 AromaticContact CZ-NE2 3.7Å; Y380-H384 PolarHBondContact OH-NE2 2.89Å
381L97Very high96.8Very high0 Ų049.3 Ų49.30%025%0.247CC..G310 helixtrans-62.5-27.8177.4-62177.1000112.4M234 V258 Q261 L262 F359 I363 I378 L379 K383 H384 K385 I388M234-L381 HydrophobicContact SD-CD2 4.16Å; V258-L381 HydrophobicContact CG1-CD1 4.38Å; V258-L381 HydrophobicContact CG1-CD2 4.21Å; Q261-L381 HydrophobicContact CB-CD2 4.34Å; Q261-L381 HydrophobicContact CG-CD2 3.92Å; L262-L381 HydrophobicContact CD2-CD1 3.85Å; F359-L381 HydrophobicContact CE1-CD1 4.33Å; F359-L381 HydrophobicContact CZ-CD1 3.93Å; I363-L381 HydrophobicContact CD1-CB 4.28Å; I363-L381 HydrophobicContact CD1-CD1 4.08Å; I378-L381 VanDerWaalsContact O-CB 3.28Å; I378-L381 WeakPolarHBondContact O-CB 3.46Å; I378-L381 WeakPolarHBondContact O-CG 3.27Å; I378-L381 PolarHBondContact O-N 2.94Å; L379-L381 PolarHBondContact O-N 3.46Å; L381-K383 PolarHBondContact O-N 3.03Å; L381-H384 CarbonylContact O-C 3.56Å; L381-H384 PolarHBondContact O-N 3.47Å; L381-K385 PolarHBondContact O-N 2.85Å; L381-I388 HydrophobicContact CB-CD1 4.05Å; L381-I388 HydrophobicContact CD2-CD1 3.96Å
382N96.3Very high96.9Very high52 Ų5249.1 Ų49.128%0.27825%0.246SC..G310 helixtrans-61.7-25175.3-76-15.7000112.7Y360 D364 L379 Y380 H384 K385Y360-N382 WeakPolarHBondContact CD1-OD1 3.43Å; Y360-N382 VanDerWaalsContact CE1-OD1 3.26Å; Y360-N382 WeakPolarHBondContact CE1-OD1 3.16Å; D364-N382 PolarHBondContact OD1-ND2 3.33Å; L379-N382 WeakPolarHBondContact O-CB 3.45Å; L379-N382 PolarHBondContact O-N 3.39Å; Y380-N382 PolarHBondContact O-N 3.5Å; N382-H384 PolarHBondContact O-N 2.9Å; N382-K385 WeakPolarHBondContact O-CB 3.49Å; N382-K385 PolarHBondContact O-N 3.24Å
383K94.3Very high97Very high166 Ų16650.3 Ų50.372%0.72224%0.241SC*.G310 helixtrans-62.9-24.2172.8-64.4-165.7175.2-168.50113.1Y380 L381Y380-K383 HydrophobicContact CD2-CD 3.9Å; Y380-K383 HydrophobicContact CD2-CG 4.49Å; Y380-K383 HydrophobicContact CE2-CD 3.86Å; Y380-K383 VanDerWaalsContact O-CB 3.32Å; Y380-K383 WeakPolarHBondContact O-CB 3.43Å; Y380-K383 PolarHBondContact O-N 3.38Å; Y380-K383 VanDerWaalsContact O-N 3.08Å; L381-K383 PolarHBondContact O-N 3.03Å
384H95.3Very high97.1Very high18 Ų1850.5 Ų50.58%0.08323%0.232CC..G310 helixtrans-115.921.7-178-59.8-75.3000111.6I253 Y380 L381 N382 Q386 A387 I388I253-H384 HydrophobicContact CG1-CB 4.01Å; Y380-H384 AromaticContact CE1-CD2 3.99Å; Y380-H384 AromaticContact CE1-NE2 3.98Å; Y380-H384 AromaticContact CZ-NE2 3.7Å; Y380-H384 PolarHBondContact OH-NE2 2.89Å; L381-H384 CarbonylContact O-C 3.56Å; L381-H384 PolarHBondContact O-N 3.47Å; N382-H384 PolarHBondContact O-N 2.9Å; H384-Q386 PolarHBondContact O-N 3.01Å; H384-A387 PolarHBondContact O-N 2.91Å; H384-I388 HydrophobicContact CB-CD1 3.96Å; H384-I388 HydrophobicContact CB-CG1 4.18Å; H384-I388 WeakPolarHBondContact O-CG1 3.38Å; H384-I388 PolarHBondContact O-N 2.78Å
385K96.8Very high97Very high76 Ų7655.1 Ų55.133%0.3326%0.263SS..Hα-helixtrans-48.5-57.2-170.8-176.4159.6-174.1167.70112.9Y360 D364 L381 N382 A387 I388 I389Y360-K385 HydrophobicContact CD1-CD 3.8Å; Y360-K385 HydrophobicContact CD1-CG 3.97Å; Y360-K385 HydrophobicContact CD2-CG 4.18Å; Y360-K385 HydrophobicContact CE1-CB 4.04Å; Y360-K385 HydrophobicContact CE1-CD 3.95Å; Y360-K385 HydrophobicContact CE1-CG 3.68Å; Y360-K385 HydrophobicContact CE2-CG 3.92Å; Y360-K385 HydrophobicContact CG-CD 4.16Å; Y360-K385 HydrophobicContact CG-CG 4.24Å; Y360-K385 WeakPolarHBondContact OH-CA 3.25Å; D364-K385 IonicContact OD2-NZ 3.2Å; D364-K385 PolarHBondContact OD2-NZ 2.91Å; D364-K385 VanDerWaalsContact OD2-NZ 3.11Å; L381-K385 PolarHBondContact O-N 2.85Å; N382-K385 WeakPolarHBondContact O-CB 3.49Å; N382-K385 PolarHBondContact O-N 3.24Å; K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 2.8Å; K385-I388 PolarHBondContact O-N 3.32Å; K385-I389 HydrophobicContact CG-CD1 3.95Å; K385-I389 VanDerWaalsContact O-CG1 3.3Å; K385-I389 WeakPolarHBondContact O-CG1 3.37Å; K385-I389 PolarHBondContact O-N 2.92Å
386Q96.8Very high97Very high121 Ų12154.2 Ų54.257%0.56526%0.258SS*.Hα-helixtrans-61.8-38.7-179.6-171.95852.600113.1H384 I389 N390H384-Q386 PolarHBondContact O-N 3.01Å; Q386-I389 PolarHBondContact O-N 2.92Å; Q386-N390 PolarHBondContact NE2-OD1 3.13Å; Q386-N390 VanDerWaalsContact NE2-OD1 3.13Å; Q386-N390 PolarHBondContact O-N 2.84Å; Q386-N390 PolarHBondContact O-ND2 2.73Å; Q386-N390 PolarHBondContact O-OD1 3Å
387A97.1Very high96.9Very high10 Ų1048.7 Ų48.78%0.08324%0.24CC..Hα-helixtrans-73.9-30.7-178.200000112.6I251 S252 I253 H384 K385 A391I251-A387 HydrophobicContact CB-CB 4.38Å; I251-A387 HydrophobicContact CG2-CB 3.93Å; I251-A387 VanDerWaalsContact O-CA 3.25Å; I251-A387 WeakPolarHBondContact O-CA 3.08Å; I251-A387 WeakPolarHBondContact O-CB 3.49Å; S252-A387 WeakPolarHBondContact CA-O 3.4Å; I253-A387 HydrophobicContact CD1-CB 4.21Å; I253-A387 HydrophobicContact CG1-CB 3.71Å; I253-A387 PolarHBondContact N-O 2.85Å; I253-A387 VanDerWaalsContact N-O 3.07Å; H384-A387 PolarHBondContact O-N 2.91Å; K385-A387 VanDerWaalsContact C-N 3.32Å; K385-A387 PolarHBondContact O-N 2.8Å; A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 3.25Å
388I98Very high96.8Very high0 Ų047.8 Ų47.80%023%0.232CC..Hα-helixtrans-73.4-39.4171.5-67.2169.5000110.7I253 V258 F351 F359 Y360 L381 H384 K385 N390 A391 L392I253-I388 HydrophobicContact CB-CG1 4.13Å; I253-I388 HydrophobicContact CG1-CG1 4.19Å; V258-I388 HydrophobicContact CG2-CD1 4.12Å; V258-I388 HydrophobicContact CG2-CG1 3.89Å; V258-I388 HydrophobicContact CG2-CG2 4.48Å; F351-I388 HydrophobicContact CE2-CG2 4.2Å; F359-I388 HydrophobicContact CE1-CG2 4.3Å; Y360-I388 HydrophobicContact CE2-CG2 4.22Å; Y360-I388 VanDerWaalsContact OH-CB 3.24Å; Y360-I388 WeakPolarHBondContact OH-CB 3.41Å; Y360-I388 WeakPolarHBondContact OH-CD1 3.38Å; Y360-I388 WeakPolarHBondContact OH-CG2 3.47Å; L381-I388 HydrophobicContact CB-CD1 4.05Å; L381-I388 HydrophobicContact CD2-CD1 3.96Å; H384-I388 HydrophobicContact CB-CD1 3.96Å; H384-I388 HydrophobicContact CB-CG1 4.18Å; H384-I388 WeakPolarHBondContact O-CG1 3.38Å; H384-I388 PolarHBondContact O-N 2.78Å; K385-I388 PolarHBondContact O-N 3.32Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 2.71Å; I388-A391 WeakPolarHBondContact O-CA 3.27Å; I388-A391 WeakPolarHBondContact O-CB 3.32Å; I388-A391 PolarHBondContact O-N 2.97Å; I388-A391 VanDerWaalsContact O-N 3.09Å; I388-L392 PolarHBondContact O-N 2.77Å
389I98.4Very high96.7Very high26 Ų2649.5 Ų49.513%0.13325%0.249CC..Hα-helixtrans-57-47.7172-70.2166.3000109.9Y356 Y360 K385 Q386 A391 L392 K393Y356-I389 HydrophobicContact CD1-CG2 4.45Å; Y356-I389 HydrophobicContact CD2-CG1 4.1Å; Y356-I389 HydrophobicContact CD2-CG2 3.99Å; Y356-I389 HydrophobicContact CE2-CG2 4.24Å; Y356-I389 HydrophobicContact CG-CG1 4.29Å; Y356-I389 HydrophobicContact CG-CG2 4.1Å; Y360-I389 HydrophobicContact CD2-CD1 4.43Å; Y360-I389 HydrophobicContact CD2-CG1 4.15Å; Y360-I389 HydrophobicContact CE2-CD1 4.38Å; Y360-I389 HydrophobicContact CE2-CG1 3.84Å; K385-I389 HydrophobicContact CG-CD1 3.95Å; K385-I389 VanDerWaalsContact O-CG1 3.3Å; K385-I389 WeakPolarHBondContact O-CG1 3.37Å; K385-I389 PolarHBondContact O-N 2.92Å; Q386-I389 PolarHBondContact O-N 2.92Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 2.72Å; I389-L392 PolarHBondContact O-N 3.1Å; I389-L392 VanDerWaalsContact O-N 3.11Å; I389-K393 WeakPolarHBondContact O-CB 3.2Å; I389-K393 PolarHBondContact O-N 2.82Å
390N98.1Very high96.6Very high12 Ų1251.1 Ų51.16%0.06425%0.254CS..Hα-helixtrans-60.5-38176-67.1-18.4000111.8I251 S252 Q386 I388 L392 K393 Y394I251-N390 WeakPolarHBondContact O-CB 3.44Å; I251-N390 PolarHBondContact O-ND2 2.99Å; S252-N390 WeakPolarHBondContact OG-CB 3.47Å; Q386-N390 PolarHBondContact NE2-OD1 3.13Å; Q386-N390 VanDerWaalsContact NE2-OD1 3.13Å; Q386-N390 PolarHBondContact O-N 2.84Å; Q386-N390 PolarHBondContact O-ND2 2.73Å; Q386-N390 PolarHBondContact O-OD1 3Å; I388-N390 VanDerWaalsContact C-N 3.31Å; I388-N390 PolarHBondContact O-N 2.71Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 3.16Å; N390-K393 PolarHBondContact O-N 2.6Å; N390-Y394 HydrophobicContact CB-CD2 4Å; N390-Y394 HydrophobicContact CB-CE2 4.32Å; N390-Y394 WeakPolarHBondContact O-CB 3.49Å; N390-Y394 WeakPolarHBondContact O-CD2 3.32Å; N390-Y394 PolarHBondContact O-N 2.81Å
391A97.8Very high96.6Very high0 Ų047.5 Ų47.50%024%0.239CC..Hα-helixtrans-64.4-33.2175.300000113I253 R255 A387 I388 I389I253-A391 WeakPolarHBondContact O-CB 3.3Å; R255-A391 HydrophobicContact CG-CB 4.28Å; R255-A391 PolarHBondContact NE-O 2.93Å; R255-A391 PolarHBondContact NH2-O 3.01Å; A387-A391 WeakPolarHBondContact O-CB 3.47Å; A387-A391 PolarHBondContact O-N 3.25Å; I388-A391 WeakPolarHBondContact O-CA 3.27Å; I388-A391 WeakPolarHBondContact O-CB 3.32Å; I388-A391 PolarHBondContact O-N 2.97Å; I388-A391 VanDerWaalsContact O-N 3.09Å; I389-A391 VanDerWaalsContact C-N 3.27Å; I389-A391 PolarHBondContact O-N 2.72Å
392L97.9Very high96.4Very high7 Ų751.6 Ų51.64%0.03726%0.259CS..Hα-helixtrans-80.4-31.5176.1-65.3-179.7000112.1F351 K354 I388 I389 N390F351-L392 HydrophobicContact CD1-CD2 4.15Å; F351-L392 HydrophobicContact CD2-CD1 4.01Å; F351-L392 HydrophobicContact CD2-CD2 3.85Å; F351-L392 HydrophobicContact CD2-CG 4.36Å; F351-L392 HydrophobicContact CE1-CD2 3.97Å; F351-L392 HydrophobicContact CE2-CD1 4.19Å; F351-L392 HydrophobicContact CE2-CD2 3.63Å; F351-L392 HydrophobicContact CE2-CG 4.11Å; F351-L392 HydrophobicContact CG-CD2 4.1Å; F351-L392 HydrophobicContact CZ-CD2 3.71Å; K354-L392 HydrophobicContact CB-CB 4.43Å; K354-L392 HydrophobicContact CG-CD2 4.45Å; I388-L392 PolarHBondContact O-N 2.77Å; I389-L392 PolarHBondContact O-N 3.1Å; I389-L392 VanDerWaalsContact O-N 3.11Å; N390-L392 VanDerWaalsContact C-N 3.32Å; N390-L392 PolarHBondContact O-N 3.16Å
393K97.6Very high96.4Very high125 Ų12551.1 Ų51.154%0.54327%0.265SS..Hα-helixtrans-79.2-44.4-178.6-176171.2-177170.90114.5I389 N390I389-K393 WeakPolarHBondContact O-CB 3.2Å; I389-K393 PolarHBondContact O-N 2.82Å; N390-K393 PolarHBondContact O-N 2.6Å
394Y97.1Very high96.5Very high49 Ų4945.5 Ų45.519%0.19224%0.241CC..SBendtrans-101.5150.1-172.1-64.3-76.4000112H229 R250 R255 N390 Y396H229-Y394 AromaticContact CE1-CD1 3.69Å; H229-Y394 AromaticContact CE1-CD2 3.92Å; H229-Y394 AromaticContact CE1-CE1 3.67Å; H229-Y394 AromaticContact CE1-CE2 3.92Å; H229-Y394 AromaticContact CE1-CG 3.81Å; H229-Y394 AromaticContact CE1-CZ 3.79Å; H229-Y394 AromaticContact NE2-CD1 3.6Å; H229-Y394 AromaticContact NE2-CD2 3.1Å; H229-Y394 WeakPolarHBondContact NE2-CD2 3.11Å; H229-Y394 AromaticContact NE2-CE1 3.84Å; H229-Y394 AromaticContact NE2-CE2 3.37Å; H229-Y394 WeakPolarHBondContact NE2-CE2 3.47Å; H229-Y394 AromaticContact NE2-CG 3.22Å; H229-Y394 AromaticContact NE2-CZ 3.73Å; R250-Y394 WeakPolarHBondContact CD-OH 3.42Å; R250-Y394 PolarHBondContact NE-OH 3.06Å; R255-Y394 PolarHBondContact NH2-O 2.78Å; N390-Y394 HydrophobicContact CB-CD2 4Å; N390-Y394 HydrophobicContact CB-CE2 4.32Å; N390-Y394 WeakPolarHBondContact O-CB 3.49Å; N390-Y394 WeakPolarHBondContact O-CD2 3.32Å; N390-Y394 PolarHBondContact O-N 2.81Å; Y394-Y396 VanDerWaalsContact C-N 3.3Å; Y394-Y396 PolarHBondContact O-N 2.99Å
395P95.5Very high96.5Very high101 Ų10145.1 Ų45.166%0.65624%0.24SC*.SBendtrans-74.3-14.1-171.129.8-36.3000114.7
396Y96.7Very high96.4Very high46 Ų4644.9 Ų44.918%0.1824%0.242CC..  trans-65.4146.4-173.7-48.5-72.4000112.9H172 A195 H229 V231 R255 Y394H172-Y396 HydrophobicContact CB-CD1 4.21Å; H172-Y396 HydrophobicContact CB-CE1 3.84Å; H172-Y396 AromaticContact CD2-CE1 3.74Å; H172-Y396 AromaticContact CD2-CZ 3.66Å; H172-Y396 PolarHBondContact CD2-OH 3.05Å; H172-Y396 VanDerWaalsContact CD2-OH 3.24Å; H172-Y396 AromaticContact CE1-CZ 3.6Å; H172-Y396 PolarHBondContact CE1-OH 3.4Å; H172-Y396 AromaticContact CG-CE1 3.58Å; H172-Y396 AromaticContact CG-CZ 3.53Å; H172-Y396 AromaticContact ND1-CE2 3.87Å; H172-Y396 AromaticContact ND1-CZ 3.5Å; H172-Y396 PolarHBondContact ND1-OH 3.4Å; H172-Y396 AromaticContact NE2-CZ 3.75Å; H172-Y396 PolarHBondContact NE2-OH 2.76Å; A195-Y396 HydrophobicContact CB-CD1 3.95Å; H229-Y396 HydrophobicContact CB-CD2 4.16Å; H229-Y396 HydrophobicContact CB-CE2 4.23Å; H229-Y396 AromaticContact CD2-CD2 3.99Å; H229-Y396 AromaticContact CG-CD2 3.98Å; H229-Y396 AromaticContact CG-CE2 3.93Å; V231-Y396 VanDerWaalsContact CG2-CB 3.42Å; R255-Y396 PolarHBondContact NH1-O 3.35Å; Y394-Y396 VanDerWaalsContact C-N 3.3Å; Y394-Y396 PolarHBondContact O-N 2.99Å
397S95.5Very high96.3Very high46 Ų4640.7 Ų40.732%0.32222%0.223SC..  trans-154.2159.7174620000110.5L174 G399L174-S397 VanDerWaalsContact CD2-O 3.29Å; L174-S397 WeakPolarHBondContact CD2-O 3.47Å; S397-G399 PolarHBondContact O-N 2.92Å
398N95.5Very high96.2Very high3 Ų340.3 Ų40.32%0.01622%0.22CC..THydrogen-bonded Turntrans-77.31.5177.7-84.9-5000113.5L174 I175 V231 D254 K400 L401 E402L174-N398 WeakPolarHBondContact CB-OD1 3.34Å; I175-N398 PolarHBondContact O-ND2 2.93Å; I175-N398 VanDerWaalsContact O-ND2 3.12Å; V231-N398 WeakPolarHBondContact CB-OD1 3.33Å; V231-N398 HydrophobicContact CG1-CB 4.4Å; V231-N398 VanDerWaalsContact CG1-OD1 3.28Å; V231-N398 WeakPolarHBondContact CG1-OD1 3.25Å; V231-N398 PolarHBondContact O-OD1 3.34Å; D254-N398 HydrophobicContact CB-CB 3.9Å; D254-N398 PolarHBondContact OD1-N 2.84Å; N398-K400 VanDerWaalsContact C-N 3.29Å; N398-K400 PolarHBondContact O-N 2.84Å; N398-K400 VanDerWaalsContact O-N 3.13Å; N398-L401 CarbonylContact O-C 3.56Å; N398-L401 WeakPolarHBondContact O-CA 3.39Å; N398-L401 WeakPolarHBondContact O-CB 3.38Å; N398-L401 PolarHBondContact O-N 3.26Å; N398-E402 PolarHBondContact O-N 2.92Å
399G94.5Very high96.1Very high36 Ų3645.9 Ų45.937%0.37124%0.244SC..Hα-helixtrans-55.5-36.8-17500000114.8S397 E402 G403S397-G399 PolarHBondContact O-N 2.92Å; G399-E402 PolarHBondContact O-N 2.9Å; G399-G403 PolarHBondContact O-N 3.24Å; G399-G403 VanDerWaalsContact O-N 3.1Å
400K95.7Very high96Very high104 Ų10447.6 Ų47.645%0.45226%0.256SS..Hα-helixtrans-63.4-42.9174.1-69.1-179.3-177.4171.90111.5L174 A195 D196 N398 G403 K404L174-K400 HydrophobicContact CD1-CB 3.99Å; A195-K400 PolarHBondContact O-NZ 3.49Å; D196-K400 PolarHBondContact O-NZ 3.43Å; N398-K400 VanDerWaalsContact C-N 3.29Å; N398-K400 PolarHBondContact O-N 2.84Å; N398-K400 VanDerWaalsContact O-N 3.13Å; K400-G403 PolarHBondContact O-N 2.83Å; K400-K404 PolarHBondContact O-N 3.28Å
401L96.2Very high95.8Very high0 Ų047.4 Ų47.40%025%0.254CS..Hα-helixtrans-71.8-36179.9-174.455.5000111.7L174 D176 I191 N398 G403 K404 N405L174-L401 HydrophobicContact CB-CB 4.04Å; L174-L401 HydrophobicContact CB-CD2 3.73Å; L174-L401 HydrophobicContact CD1-CB 4.03Å; D176-L401 HydrophobicContact CB-CD2 3.42Å; D176-L401 VanDerWaalsContact CB-CD2 3.42Å; D176-L401 HydrophobicContact CB-CG 3.91Å; I191-L401 HydrophobicContact CB-CD1 4.46Å; I191-L401 HydrophobicContact CD1-CD1 3.8Å; I191-L401 HydrophobicContact CG1-CD1 3.81Å; I191-L401 HydrophobicContact CG2-CD1 3.93Å; I191-L401 HydrophobicContact CG2-CD2 4.38Å; I191-L401 HydrophobicContact CG2-CG 4.4Å; N398-L401 CarbonylContact O-C 3.56Å; N398-L401 WeakPolarHBondContact O-CA 3.39Å; N398-L401 WeakPolarHBondContact O-CB 3.38Å; N398-L401 PolarHBondContact O-N 3.26Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 2.57Å; L401-K404 HydrophobicContact CD1-CB 4.32Å; L401-K404 CarbonylContact O-C 3.52Å; L401-K404 WeakPolarHBondContact O-CA 3.4Å; L401-K404 WeakPolarHBondContact O-CB 3.42Å; L401-K404 PolarHBondContact O-N 2.95Å; L401-N405 PolarHBondContact O-N 3.4Å
402E94.2Very high95.7Very high86 Ų8649.6 Ų49.640%0.40226%0.264SS..Hα-helixtrans-58.6-41.9171-169-171.6172.500111N398 G399 K404 N405 N406N398-E402 PolarHBondContact O-N 2.92Å; G399-E402 PolarHBondContact O-N 2.9Å; E402-K404 VanDerWaalsContact C-N 3.3Å; E402-K404 PolarHBondContact O-N 2.86Å; E402-N405 PolarHBondContact O-N 2.87Å; E402-N406 PolarHBondContact O-N 3.35Å; E402-N406 PolarHBondContact O-ND2 3.44Å
403G95Very high95.5Very high41 Ų4158.4 Ų58.442%0.42330%0.297SS..Hα-helixtrans-56.5-41.5171.400000112.8G399 K400 L401 N406 L407G399-G403 PolarHBondContact O-N 3.24Å; G399-G403 VanDerWaalsContact O-N 3.1Å; K400-G403 PolarHBondContact O-N 2.83Å; L401-G403 VanDerWaalsContact C-N 3.27Å; L401-G403 PolarHBondContact O-N 2.57Å; G403-N406 PolarHBondContact O-N 2.97Å; G403-L407 PolarHBondContact O-N 3.26Å
404K95.7Very high95.4Very high49 Ų4954.7 Ų54.721%0.21329%0.285CS..Hα-helixtrans-66.4-43.1174.1-56-53.2-175.4178.80111.8G198 I200 K400 L401 E402 N406 L407 I408G198-K404 WeakPolarHBondContact O-CE 3.47Å; I200-K404 HydrophobicContact CD1-CB 4.45Å; I200-K404 HydrophobicContact CG1-CD 4.46Å; I200-K404 HydrophobicContact CG1-CG 4.18Å; K400-K404 PolarHBondContact O-N 3.28Å; L401-K404 HydrophobicContact CD1-CB 4.32Å; L401-K404 CarbonylContact O-C 3.52Å; L401-K404 WeakPolarHBondContact O-CA 3.4Å; L401-K404 WeakPolarHBondContact O-CB 3.42Å; L401-K404 PolarHBondContact O-N 2.95Å; E402-K404 VanDerWaalsContact C-N 3.3Å; E402-K404 PolarHBondContact O-N 2.86Å; K404-N406 VanDerWaalsContact C-N 3.27Å; K404-N406 PolarHBondContact O-N 3.46Å; K404-L407 WeakPolarHBondContact O-CB 3.4Å; K404-L407 PolarHBondContact O-N 3.35Å; K404-L407 VanDerWaalsContact O-N 3.09Å; K404-I408 VanDerWaalsContact O-CG1 3.3Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 3.28Å
405N95.5Very high95.2Very high9 Ų953.7 Ų53.75%0.04829%0.287CS..Hα-helixtrans-60.7-36.7176.5-88.3-13.2000112.2D176 E177 L401 E402 I408 K409D176-N405 PolarHBondContact OD2-ND2 2.95Å; E177-N405 PolarHBondContact O-ND2 3.11Å; L401-N405 PolarHBondContact O-N 3.4Å; E402-N405 PolarHBondContact O-N 2.87Å; N405-I408 PolarHBondContact O-N 3.44Å; N405-K409 WeakPolarHBondContact O-CG 3.45Å; N405-K409 PolarHBondContact O-N 2.98Å
406N95.7Very high94.9Very high71 Ų7158 Ų5838%0.3830%0.295SS..Hα-helixtrans-68-40.4173-71.4-26.9000112.4E402 G403 K404 I408 K409 V410E402-N406 PolarHBondContact O-N 3.35Å; E402-N406 PolarHBondContact O-ND2 3.44Å; G403-N406 PolarHBondContact O-N 2.97Å; K404-N406 VanDerWaalsContact C-N 3.27Å; K404-N406 PolarHBondContact O-N 3.46Å; N406-I408 PolarHBondContact O-N 3.38Å; N406-K409 WeakPolarHBondContact O-CB 3.34Å; N406-K409 PolarHBondContact O-N 3.31Å; N406-K409 PolarHBondContact OD1-NZ 3.43Å; N406-K409 VanDerWaalsContact OD1-NZ 3.11Å; N406-V410 WeakPolarHBondContact O-CG2 3.43Å; N406-V410 PolarHBondContact O-N 2.86Å; N406-V410 VanDerWaalsContact O-N 3.08Å
407L94.6Very high94.6Very high33 Ų3357.5 Ų57.517%0.17330%0.304CS..Hα-helixtrans-59.4-45.3171.3175.564.4000111.7G403 K404 K409 V410 I411 Q432G403-L407 PolarHBondContact O-N 3.26Å; K404-L407 WeakPolarHBondContact O-CB 3.4Å; K404-L407 PolarHBondContact O-N 3.35Å; K404-L407 VanDerWaalsContact O-N 3.09Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 3.21Å; L407-V410 WeakPolarHBondContact O-CA 3.48Å; L407-V410 WeakPolarHBondContact O-CB 3.32Å; L407-V410 PolarHBondContact O-N 2.8Å; L407-I411 HydrophobicContact CD1-CD1 4.43Å; L407-I411 HydrophobicContact CD1-CG1 4.39Å; L407-I411 HydrophobicContact CG-CD1 4.08Å; L407-I411 HydrophobicContact CG-CG1 4.45Å; L407-I411 WeakPolarHBondContact O-CG1 3.12Å; L407-I411 PolarHBondContact O-N 3.49Å; L407-Q432 HydrophobicContact CD2-CG 4.44Å
408I95.9Very high94.4Very high3 Ų356.8 Ų56.82%0.01530%0.296CS..Hα-helixtrans-59-42177.8-66.9167.1000110.8F178 I191 K404 N405 N406 V410 I411 K412 I428F178-I408 HydrophobicContact CD1-CD1 3.93Å; F178-I408 HydrophobicContact CD2-CG2 3.92Å; F178-I408 HydrophobicContact CE1-CD1 3.77Å; F178-I408 HydrophobicContact CE2-CG2 3.98Å; F178-I408 HydrophobicContact CG-CG2 4.29Å; F178-I408 HydrophobicContact CZ-CD1 4.24Å; F178-I408 HydrophobicContact CZ-CG2 4.37Å; I191-I408 HydrophobicContact CD1-CD1 3.69Å; K404-I408 VanDerWaalsContact O-CG1 3.3Å; K404-I408 WeakPolarHBondContact O-CG1 3.35Å; K404-I408 PolarHBondContact O-N 3.28Å; N405-I408 PolarHBondContact O-N 3.44Å; N406-I408 PolarHBondContact O-N 3.38Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 2.88Å; I408-I411 PolarHBondContact O-N 3.24Å; I408-K412 HydrophobicContact CG2-CD 4.29Å; I408-K412 WeakPolarHBondContact O-CG 3.3Å; I408-K412 PolarHBondContact O-N 3.47Å; I408-I428 HydrophobicContact CB-CD1 4.44Å; I408-I428 HydrophobicContact CD1-CD1 4.07Å; I408-I428 HydrophobicContact CD1-CG2 4.26Å; I408-I428 HydrophobicContact CG1-CD1 3.81Å; I408-I428 HydrophobicContact CG1-CG1 3.98Å; I408-I428 HydrophobicContact CG1-CG2 4.02Å; I408-I428 HydrophobicContact CG2-CD1 3.87Å; I408-I428 HydrophobicContact CG2-CG1 4.49Å
409K95.2Very high94.1Very high117 Ų11766.7 Ų66.751%0.50933%0.332SS..Hα-helixtrans-59.9-40.5174-69.4167.9-165.31620111.9N405 N406 L407 R413N405-K409 WeakPolarHBondContact O-CG 3.45Å; N405-K409 PolarHBondContact O-N 2.98Å; N406-K409 WeakPolarHBondContact O-CB 3.34Å; N406-K409 PolarHBondContact O-N 3.31Å; N406-K409 PolarHBondContact OD1-NZ 3.43Å; N406-K409 VanDerWaalsContact OD1-NZ 3.11Å; L407-K409 VanDerWaalsContact C-N 3.29Å; L407-K409 PolarHBondContact O-N 3.21Å; K409-R413 WeakPolarHBondContact O-CB 3.32Å; K409-R413 PolarHBondContact O-N 3.17Å
410V95.9Very high94.1Very high62 Ų6267.1 Ų67.138%0.37633%0.328SS..Hα-helixtrans-64.5-45.5175.71740000110.9N406 L407 I408 K412 R413 V414N406-V410 WeakPolarHBondContact O-CG2 3.43Å; N406-V410 PolarHBondContact O-N 2.86Å; N406-V410 VanDerWaalsContact O-N 3.08Å; L407-V410 WeakPolarHBondContact O-CA 3.48Å; L407-V410 WeakPolarHBondContact O-CB 3.32Å; L407-V410 PolarHBondContact O-N 2.8Å; I408-V410 VanDerWaalsContact C-N 3.31Å; I408-V410 PolarHBondContact O-N 2.88Å; V410-K412 VanDerWaalsContact C-N 3.35Å; V410-K412 PolarHBondContact O-N 3.36Å; V410-R413 PolarHBondContact O-N 3.31Å; V410-R413 VanDerWaalsContact O-N 3.11Å; V410-V414 HydrophobicContact CG1-CG2 4.24Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.97Å
411I94.9Very high94Very high7 Ų763.1 Ų63.14%0.03631%0.311CS..Hα-helixtrans-56.4-49.3176.8-66.8173.8000110.9L407 I408 R413 V414 A415 F418 R427 I428 Q431L407-I411 HydrophobicContact CD1-CD1 4.43Å; L407-I411 HydrophobicContact CD1-CG1 4.39Å; L407-I411 HydrophobicContact CG-CD1 4.08Å; L407-I411 HydrophobicContact CG-CG1 4.45Å; L407-I411 WeakPolarHBondContact O-CG1 3.12Å; L407-I411 PolarHBondContact O-N 3.49Å; I408-I411 PolarHBondContact O-N 3.24Å; I411-R413 VanDerWaalsContact C-N 3.28Å; I411-R413 PolarHBondContact O-N 2.85Å; I411-V414 PolarHBondContact O-N 3.46Å; I411-A415 WeakPolarHBondContact O-CB 2.83Å; I411-A415 PolarHBondContact O-N 2.91Å; I411-F418 HydrophobicContact CG2-CE2 3.89Å; I411-F418 HydrophobicContact CG2-CZ 3.99Å; I411-R427 HydrophobicContact CG2-CB 4.38Å; I411-R427 HydrophobicContact CG2-CG 3.62Å; I411-I428 HydrophobicContact CD1-CG1 4.15Å; I411-Q431 HydrophobicContact CD1-CB 4.35Å
412K94.5Very high93.9Very high47 Ų4768.5 Ų68.520%0.20433%0.331CS..Hα-helixtrans-60.6-38.7177.5-69.1-179.275.8172.10112K179 G180 I408 V410 F416 G417 F418 L424K179-K412 PolarHBondContact O-NZ 2.81Å; G180-K412 PolarHBondContact O-NZ 3.26Å; I408-K412 HydrophobicContact CG2-CD 4.29Å; I408-K412 WeakPolarHBondContact O-CG 3.3Å; I408-K412 PolarHBondContact O-N 3.47Å; V410-K412 VanDerWaalsContact C-N 3.35Å; V410-K412 PolarHBondContact O-N 3.36Å; K412-F416 PolarHBondContact O-N 2.8Å; K412-G417 PolarHBondContact O-N 3.07Å; K412-F418 HydrophobicContact CG-CD2 4.42Å; K412-L424 HydrophobicContact CD-CD1 4.36Å; K412-L424 HydrophobicContact CD-CD2 4.24Å; K412-L424 HydrophobicContact CG-CD1 3.78Å; K412-L424 HydrophobicContact CG-CD2 4.48Å
413R95.2Very high94Very high191 Ų19165.2 Ų65.272%0.72132%0.316SS*.Hα-helixtrans-68.3-48179.6-171.7179.1-65.1163.4-0.2111.8K409 V410 I411 A415 F416K409-R413 WeakPolarHBondContact O-CB 3.32Å; K409-R413 PolarHBondContact O-N 3.17Å; V410-R413 PolarHBondContact O-N 3.31Å; V410-R413 VanDerWaalsContact O-N 3.11Å; I411-R413 VanDerWaalsContact C-N 3.28Å; I411-R413 PolarHBondContact O-N 2.85Å; R413-A415 VanDerWaalsContact C-N 3.29Å; R413-A415 PolarHBondContact O-N 2.91Å; R413-F416 PolarHBondContact O-N 3.16Å; R413-F416 VanDerWaalsContact O-N 3.11Å
414V94.8Very high94Very high48 Ų4863.2 Ų63.229%0.29130%0.295SS..Hα-helixtrans-61.5-39.1178.21710000111.2S136 V410 I411 F416S136-V414 VanDerWaalsContact CB-O 3.24Å; S136-V414 WeakPolarHBondContact CB-O 3.27Å; V410-V414 HydrophobicContact CG1-CG2 4.24Å; V410-V414 WeakPolarHBondContact O-CG2 3.4Å; V410-V414 PolarHBondContact O-N 2.97Å; I411-V414 PolarHBondContact O-N 3.46Å; V414-F416 WeakPolarHBondContact O-CD2 3.35Å; V414-F416 PolarHBondContact O-N 3Å
415A92.4Very high94Very high28 Ų2862.5 Ų62.523%0.23129%0.291CS..THydrogen-bonded Turntrans-75.7-6.8178.300000114.4I411 R413 G417 F418I411-A415 WeakPolarHBondContact O-CB 2.83Å; I411-A415 PolarHBondContact O-N 2.91Å; R413-A415 VanDerWaalsContact C-N 3.29Å; R413-A415 PolarHBondContact O-N 2.91Å; A415-G417 PolarHBondContact O-N 3.3Å; A415-F418 HydrophobicContact CB-CD2 4.04Å; A415-F418 HydrophobicContact CB-CE1 4.28Å; A415-F418 HydrophobicContact CB-CE2 3.32Å; A415-F418 HydrophobicContact CB-CZ 3.46Å; A415-F418 VanDerWaalsContact CB-CZ 3.46Å
416F90.3Very high94Very high191 Ų19162.1 Ų62.184%0.83829%0.289SS*.THydrogen-bonded Turntrans54.834.9-167.5-61.5-88.9000113K412 R413 V414K412-F416 PolarHBondContact O-N 2.8Å; R413-F416 PolarHBondContact O-N 3.16Å; R413-F416 VanDerWaalsContact O-N 3.11Å; V414-F416 WeakPolarHBondContact O-CD2 3.35Å; V414-F416 PolarHBondContact O-N 3Å
417G88.8Confident94Very high36 Ų3659 Ų5937%0.37127%0.272SS..  trans92.7170.8-176.500000114K412 A415K412-G417 PolarHBondContact O-N 3.07Å; A415-G417 PolarHBondContact O-N 3.3Å
418F91.5Very high94.1Very high31 Ų3157.5 Ų57.514%0.13626%0.264CS..  trans-127.6144.4175.5-72.6-95.1000108.6M137 T181 I411 K412 A415 H423 L424 R427M137-F418 HydrophobicContact CE-CE1 4.09Å; T181-F418 HydrophobicContact CG2-CB 3.71Å; T181-F418 WeakPolarHBondContact CG2-O 3.34Å; I411-F418 HydrophobicContact CG2-CE2 3.89Å; I411-F418 HydrophobicContact CG2-CZ 3.99Å; K412-F418 HydrophobicContact CG-CD2 4.42Å; A415-F418 HydrophobicContact CB-CD2 4.04Å; A415-F418 HydrophobicContact CB-CE1 4.28Å; A415-F418 HydrophobicContact CB-CE2 3.32Å; A415-F418 HydrophobicContact CB-CZ 3.46Å; A415-F418 VanDerWaalsContact CB-CZ 3.46Å; F418-H423 HydrophobicContact CD1-CB 3.97Å; F418-L424 HydrophobicContact CB-CB 4.02Å; F418-L424 HydrophobicContact CD1-CB 4.3Å; F418-L424 HydrophobicContact CD2-CB 4.18Å; F418-L424 HydrophobicContact CD2-CD1 3.66Å; F418-L424 HydrophobicContact CD2-CG 4.44Å; F418-L424 HydrophobicContact CE2-CD1 3.8Å; F418-L424 HydrophobicContact CG-CB 3.91Å; F418-L424 HydrophobicContact CG-CD1 4.27Å; F418-R427 HydrophobicContact CE1-CB 4.08Å; F418-R427 HydrophobicContact CE1-CG 4.38Å; F418-R427 HydrophobicContact CZ-CB 3.99Å; F418-R427 HydrophobicContact CZ-CG 3.91Å
419R89.7Confident94.2Very high210 Ų21057.5 Ų57.579%0.79226%0.264SS*.SBendtrans-78.9-36.6176.9-71.4-178.2176.3148.4-4.6112.5
420T93.6Very high94.2Very high46 Ų4651.9 Ų51.928%0.28224%0.24SC..  trans-124.2148.9-174.962.90000111.7D183 R422 H423 L424D183-T420 WeakPolarHBondContact OD1-CA 3.47Å; D183-T420 VanDerWaalsContact OD2-CA 3.24Å; D183-T420 WeakPolarHBondContact OD2-CA 3.28Å; T420-R422 VanDerWaalsContact C-N 3.3Å; T420-R422 PolarHBondContact O-N 2.96Å; T420-H423 VanDerWaalsContact OG1-CG 3.28Å; T420-H423 PolarHBondContact OG1-N 2.98Å; T420-H423 PolarHBondContact OG1-ND1 3.21Å; T420-L424 PolarHBondContact O-N 3.14Å
421F94.7Very high94.2Very high19 Ų1950 Ų508%0.08323%0.227CC..Hα-helixtrans-62-41.5174171.5-108.1000111T181 D183 C189 I203 E205 H423 L424 R425T181-F421 VanDerWaalsContact OG1-CA 3.26Å; T181-F421 WeakPolarHBondContact OG1-CA 3.44Å; T181-F421 PolarHBondContact OG1-N 3.21Å; D183-F421 PolarHBondContact OD1-N 3.42Å; D183-F421 PolarHBondContact OD2-N 3.14Å; C189-F421 HydrophobicContact CB-CE2 4.24Å; C189-F421 VanDerWaalsContact SG-CD2 3.53Å; C189-F421 WeakPolarHBondContact SG-CE2 3.16Å; I203-F421 HydrophobicContact CG2-CE2 3.86Å; I203-F421 HydrophobicContact CG2-CZ 3.9Å; E205-F421 HydrophobicContact CB-CD1 3.56Å; E205-F421 HydrophobicContact CB-CD2 4.12Å; E205-F421 HydrophobicContact CB-CE1 3.66Å; E205-F421 HydrophobicContact CB-CE2 4.21Å; E205-F421 HydrophobicContact CB-CG 3.78Å; E205-F421 HydrophobicContact CB-CZ 3.99Å; F421-H423 PolarHBondContact O-N 3.21Å; F421-L424 PolarHBondContact O-N 3.06Å; F421-L424 VanDerWaalsContact O-N 3.15Å; F421-R425 HydrophobicContact CE1-CB 4.16Å; F421-R425 HydrophobicContact CE2-CB 4.25Å; F421-R425 HydrophobicContact CZ-CB 3.98Å; F421-R425 HydrophobicContact CZ-CG 4.27Å; F421-R425 WeakPolarHBondContact O-CB 3.3Å; F421-R425 PolarHBondContact O-N 3.2Å
422R94.4Very high94.1Very high113 Ų11351.7 Ų51.743%0.42624%0.235SC..Hα-helixtrans-52-51.4179.3-179.5175.417572.77111.8D156 E161 T420 L424 R425 M426D156-R422 IonicContact OD1-NE 2.84Å; D156-R422 PolarHBondContact OD1-NE 2.7Å; D156-R422 IonicContact OD1-NH2 3.16Å; E161-R422 IonicContact OE1-CZ 3.2Å; E161-R422 IonicContact OE1-NH1 3.93Å; E161-R422 PolarHBondContact OE1-NH1 3.34Å; E161-R422 IonicContact OE1-NH2 2.67Å; E161-R422 PolarHBondContact OE1-NH2 2.83Å; T420-R422 VanDerWaalsContact C-N 3.3Å; T420-R422 PolarHBondContact O-N 2.96Å; R422-L424 PolarHBondContact O-N 2.81Å; R422-R425 PolarHBondContact O-N 3.5Å; R422-M426 HydrophobicContact CG-CG 4.49Å; R422-M426 WeakPolarHBondContact O-CB 3.46Å; R422-M426 VanDerWaalsContact O-CG 3.32Å; R422-M426 WeakPolarHBondContact O-CG 3.47Å; R422-M426 PolarHBondContact O-N 3.38Å
423H94.9Very high94.1Very high17 Ų1755.1 Ų55.18%0.07926%0.255CS..Hα-helixtrans-68.1-37.1-178.9-64.2170.9000112.4E152 L155 D156 F418 T420 F421 R427E152-H423 IonicContact OE1-ND1 3.34Å; E152-H423 IonicContact OE2-CE1 3.56Å; E152-H423 PolarHBondContact OE2-CE1 3.4Å; L155-H423 HydrophobicContact CD2-CB 4.04Å; D156-H423 IonicContact OD1-CD2 2.8Å; D156-H423 IonicContact OD1-NE2 3.52Å; D156-H423 IonicContact OD2-NE2 3.59Å; F418-H423 HydrophobicContact CD1-CB 3.97Å; T420-H423 VanDerWaalsContact OG1-CG 3.28Å; T420-H423 PolarHBondContact OG1-N 2.98Å; T420-H423 PolarHBondContact OG1-ND1 3.21Å; F421-H423 PolarHBondContact O-N 3.21Å; H423-R427 VanDerWaalsContact O-CB 3.3Å; H423-R427 WeakPolarHBondContact O-CB 3.05Å; H423-R427 PolarHBondContact O-N 3.42Å
424L95.7Very high94.1Very high0 Ų048 Ų480%023%0.231CC..Hα-helixtrans-61.8-50173.9174.359.2000110.6F178 T181 K412 F418 T420 F421 R422 R427 I428F178-L424 HydrophobicContact CE2-CD2 4.08Å; T181-L424 HydrophobicContact CG2-CB 4.21Å; T181-L424 HydrophobicContact CG2-CD2 3.89Å; K412-L424 HydrophobicContact CD-CD1 4.36Å; K412-L424 HydrophobicContact CD-CD2 4.24Å; K412-L424 HydrophobicContact CG-CD1 3.78Å; K412-L424 HydrophobicContact CG-CD2 4.48Å; F418-L424 HydrophobicContact CB-CB 4.02Å; F418-L424 HydrophobicContact CD1-CB 4.3Å; F418-L424 HydrophobicContact CD2-CB 4.18Å; F418-L424 HydrophobicContact CD2-CD1 3.66Å; F418-L424 HydrophobicContact CD2-CG 4.44Å; F418-L424 HydrophobicContact CE2-CD1 3.8Å; F418-L424 HydrophobicContact CG-CB 3.91Å; F418-L424 HydrophobicContact CG-CD1 4.27Å; T420-L424 PolarHBondContact O-N 3.14Å; F421-L424 PolarHBondContact O-N 3.06Å; F421-L424 VanDerWaalsContact O-N 3.15Å; R422-L424 PolarHBondContact O-N 2.81Å; L424-R427 PolarHBondContact O-N 3.03Å; L424-I428 HydrophobicContact CD1-CD1 3.74Å; L424-I428 HydrophobicContact CD1-CG1 4.12Å; L424-I428 HydrophobicContact CG-CD1 3.81Å; L424-I428 WeakPolarHBondContact O-CD1 3.06Å; L424-I428 VanDerWaalsContact O-CG1 3.22Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 2.9Å
425R96.1Very high94Very high34 Ų3445.7 Ų45.713%0.12822%0.217CC..Hα-helixtrans-57.5-52.5178.3179.2175.3177.6-82.40.8110.8E161 D202 I203 F421 R422 R427 I428 L429E161-R425 IonicContact OE2-CZ 3.48Å; E161-R425 IonicContact OE2-NH1 2.69Å; E161-R425 PolarHBondContact OE2-NH1 3.48Å; D202-R425 IonicContact OD1-CZ 2.66Å; D202-R425 IonicContact OD1-NE 3.18Å; D202-R425 IonicContact OD1-NH2 2.7Å; D202-R425 PolarHBondContact OD1-NH2 3.47Å; I203-R425 HydrophobicContact CB-CG 4.38Å; I203-R425 PolarHBondContact O-NE 2.99Å; F421-R425 HydrophobicContact CE1-CB 4.16Å; F421-R425 HydrophobicContact CE2-CB 4.25Å; F421-R425 HydrophobicContact CZ-CB 3.98Å; F421-R425 HydrophobicContact CZ-CG 4.27Å; F421-R425 WeakPolarHBondContact O-CB 3.3Å; F421-R425 PolarHBondContact O-N 3.2Å; R422-R425 PolarHBondContact O-N 3.5Å; R425-R427 VanDerWaalsContact C-N 3.3Å; R425-R427 PolarHBondContact O-N 3.01Å; R425-I428 PolarHBondContact O-N 2.98Å; R425-I428 VanDerWaalsContact O-N 3.11Å; R425-L429 HydrophobicContact CG-CD1 4.08Å; R425-L429 HydrophobicContact CG-CG 4.39Å; R425-L429 WeakPolarHBondContact O-CG 3.3Å; R425-L429 PolarHBondContact O-N 3.1Å
426M95.7Very high94Very high1 Ų149.7 Ų49.71%0.00524%0.235CC..Hα-helixtrans-55-47177.4-74.5-56-69.200111.5L155 F159 E161 R422 I428 L429 I430L155-M426 HydrophobicContact CD1-CB 4.23Å; L155-M426 HydrophobicContact CD2-CB 3.98Å; L155-M426 HydrophobicContact CG-CB 4.06Å; F159-M426 HydrophobicContact CB-CE 3.96Å; E161-M426 HydrophobicContact CG-CE 3.77Å; E161-M426 HydrophobicContact CG-SD 3.44Å; E161-M426 WeakPolarHBondContact CG-SD 3.44Å; R422-M426 HydrophobicContact CG-CG 4.49Å; R422-M426 WeakPolarHBondContact O-CB 3.46Å; R422-M426 VanDerWaalsContact O-CG 3.32Å; R422-M426 WeakPolarHBondContact O-CG 3.47Å; R422-M426 PolarHBondContact O-N 3.38Å; M426-I428 VanDerWaalsContact C-N 3.3Å; M426-I428 PolarHBondContact O-N 2.8Å; M426-L429 PolarHBondContact O-N 3.11Å; M426-I430 HydrophobicContact CB-CD1 4.4Å; M426-I430 HydrophobicContact CE-CD1 4.16Å; M426-I430 WeakPolarHBondContact O-CB 3.3Å; M426-I430 WeakPolarHBondContact O-CD1 3.25Å; M426-I430 WeakPolarHBondContact O-CG1 3.3Å; M426-I430 PolarHBondContact O-N 3.34Å
427R96.4Very high94Very high6 Ų642.3 Ų42.32%0.02320%0.204CC..Hα-helixtrans-60.2-40.7179-172.557.8163.3-158.74112.6L131 K133 I135 I411 F418 H423 L424 R425 Q431L131-R427 VanDerWaalsContact C-NH1 3.32Å; L131-R427 PolarHBondContact O-NE 2.84Å; L131-R427 PolarHBondContact O-NH1 3.36Å; L131-R427 PolarHBondContact O-NH2 2.87Å; K133-R427 PolarHBondContact O-NH2 3.29Å; K133-R427 VanDerWaalsContact O-NH2 3.08Å; I135-R427 PolarHBondContact O-NH2 3.19Å; I411-R427 HydrophobicContact CG2-CB 4.38Å; I411-R427 HydrophobicContact CG2-CG 3.62Å; F418-R427 HydrophobicContact CE1-CB 4.08Å; F418-R427 HydrophobicContact CE1-CG 4.38Å; F418-R427 HydrophobicContact CZ-CB 3.99Å; F418-R427 HydrophobicContact CZ-CG 3.91Å; H423-R427 VanDerWaalsContact O-CB 3.3Å; H423-R427 WeakPolarHBondContact O-CB 3.05Å; H423-R427 PolarHBondContact O-N 3.42Å; L424-R427 PolarHBondContact O-N 3.03Å; R425-R427 VanDerWaalsContact C-N 3.3Å; R425-R427 PolarHBondContact O-N 3.01Å; R427-Q431 VanDerWaalsContact NE-NE2 3.15Å; R427-Q431 WeakPolarHBondContact O-CB 3.36Å; R427-Q431 WeakPolarHBondContact O-CG 3.26Å; R427-Q431 PolarHBondContact O-N 3.27Å; R427-Q431 VanDerWaalsContact O-N 3.09Å
428I96.6Very high94Very high1 Ų147.5 Ų47.51%0.00522%0.222CC..Hα-helixtrans-65.1-49.3178.2-63.7161.5000110.2F178 I200 I203 I408 I411 L424 R425 M426 I430 Q431 Q432F178-I428 HydrophobicContact CZ-CD1 4.13Å; I200-I428 HydrophobicContact CD1-CG2 3.72Å; I203-I428 HydrophobicContact CD1-CB 3.97Å; I203-I428 HydrophobicContact CD1-CD1 3.9Å; I203-I428 HydrophobicContact CD1-CG2 3.54Å; I408-I428 HydrophobicContact CB-CD1 4.44Å; I408-I428 HydrophobicContact CD1-CD1 4.07Å; I408-I428 HydrophobicContact CD1-CG2 4.26Å; I408-I428 HydrophobicContact CG1-CD1 3.81Å; I408-I428 HydrophobicContact CG1-CG1 3.98Å; I408-I428 HydrophobicContact CG1-CG2 4.02Å; I408-I428 HydrophobicContact CG2-CD1 3.87Å; I408-I428 HydrophobicContact CG2-CG1 4.49Å; I411-I428 HydrophobicContact CD1-CG1 4.15Å; L424-I428 HydrophobicContact CD1-CD1 3.74Å; L424-I428 HydrophobicContact CD1-CG1 4.12Å; L424-I428 HydrophobicContact CG-CD1 3.81Å; L424-I428 WeakPolarHBondContact O-CD1 3.06Å; L424-I428 VanDerWaalsContact O-CG1 3.22Å; L424-I428 WeakPolarHBondContact O-CG1 3.38Å; L424-I428 PolarHBondContact O-N 2.9Å; R425-I428 PolarHBondContact O-N 2.98Å; R425-I428 VanDerWaalsContact O-N 3.11Å; M426-I428 VanDerWaalsContact C-N 3.3Å; M426-I428 PolarHBondContact O-N 2.8Å; I428-I430 PolarHBondContact O-N 3.27Å; I428-Q431 PolarHBondContact O-N 2.84Å; I428-Q432 WeakPolarHBondContact O-CB 3.19Å; I428-Q432 VanDerWaalsContact O-CG 3.26Å; I428-Q432 WeakPolarHBondContact O-CG 3.17Å; I428-Q432 PolarHBondContact O-N 3.22Å
429L96.6Very high94.2Very high2 Ų248.4 Ų48.41%0.0123%0.226CC..Hα-helixtrans-62.5-44.5-178.8-63.4-179.8000111.9P162 I200 R425 M426 Q431 Q432 N433 L434 C435P162-L429 HydrophobicContact CG-CD1 4.26Å; I200-L429 HydrophobicContact CG2-CD2 4.45Å; R425-L429 HydrophobicContact CG-CD1 4.08Å; R425-L429 HydrophobicContact CG-CG 4.39Å; R425-L429 WeakPolarHBondContact O-CG 3.3Å; R425-L429 PolarHBondContact O-N 3.1Å; M426-L429 PolarHBondContact O-N 3.11Å; L429-Q431 PolarHBondContact O-N 2.92Å; L429-Q432 CarbonylContact O-C 3.5Å; L429-Q432 WeakPolarHBondContact O-CA 3.46Å; L429-Q432 PolarHBondContact O-N 3.23Å; L429-Q432 VanDerWaalsContact O-N 3.09Å; L429-N433 PolarHBondContact O-N 3.15Å; L429-L434 HydrophobicContact CB-CB 4.23Å; L429-L434 HydrophobicContact CD2-CB 4.34Å; L429-L434 HydrophobicContact CD2-CD1 3.71Å; L429-L434 WeakPolarHBondContact O-CB 3.33Å; L429-L434 PolarHBondContact O-N 3.38Å; L429-C435 VanDerWaalsContact CB-SG 3.56Å
430I95.9Very high94.4Very high0 Ų039.8 Ų39.80%020%0.196CC..Hα-helixtrans-60.4-47.9177.6-70.5164.7000111.1K132 L155 F159 M426 I428 Q432 N433 C435K132-I430 HydrophobicContact CB-CG2 4.37Å; K132-I430 HydrophobicContact CG-CG2 3.64Å; L155-I430 HydrophobicContact CD1-CD1 3.38Å; L155-I430 HydrophobicContact CG-CD1 4.33Å; F159-I430 HydrophobicContact CB-CD1 4.32Å; F159-I430 HydrophobicContact CD1-CD1 3.83Å; F159-I430 HydrophobicContact CD1-CG1 3.66Å; F159-I430 HydrophobicContact CD1-CG2 4.36Å; F159-I430 HydrophobicContact CD2-CD1 3.52Å; F159-I430 HydrophobicContact CD2-CG1 4.3Å; F159-I430 HydrophobicContact CE1-CB 4.35Å; F159-I430 HydrophobicContact CE1-CD1 3.9Å; F159-I430 HydrophobicContact CE1-CG1 3.78Å; F159-I430 HydrophobicContact CE1-CG2 3.63Å; F159-I430 HydrophobicContact CE2-CD1 3.64Å; F159-I430 HydrophobicContact CE2-CG1 4.43Å; F159-I430 HydrophobicContact CG-CD1 3.61Å; F159-I430 HydrophobicContact CG-CG1 3.9Å; F159-I430 HydrophobicContact CZ-CD1 3.8Å; F159-I430 HydrophobicContact CZ-CG1 4.17Å; F159-I430 HydrophobicContact CZ-CG2 3.79Å; M426-I430 HydrophobicContact CB-CD1 4.4Å; M426-I430 HydrophobicContact CE-CD1 4.16Å; M426-I430 WeakPolarHBondContact O-CB 3.3Å; M426-I430 WeakPolarHBondContact O-CD1 3.25Å; M426-I430 WeakPolarHBondContact O-CG1 3.3Å; M426-I430 PolarHBondContact O-N 3.34Å; I428-I430 PolarHBondContact O-N 3.27Å; I430-Q432 PolarHBondContact O-N 3.17Å; I430-N433 PolarHBondContact O-N 2.94Å; I430-C435 HydrophobicContact CG1-CB 3.78Å
431Q95Very high94.5Very high22 Ų2239.5 Ų39.510%0.10319%0.191CC..Hα-helixtrans-71.7-10.3178-71.5-167.3-0.800113.8K133 I411 R427 I428 L429K133-Q431 PolarHBondContact O-NE2 3.3Å; I411-Q431 HydrophobicContact CD1-CB 4.35Å; R427-Q431 VanDerWaalsContact NE-NE2 3.15Å; R427-Q431 WeakPolarHBondContact O-CB 3.36Å; R427-Q431 WeakPolarHBondContact O-CG 3.26Å; R427-Q431 PolarHBondContact O-N 3.27Å; R427-Q431 VanDerWaalsContact O-N 3.09Å; I428-Q431 PolarHBondContact O-N 2.84Å; L429-Q431 PolarHBondContact O-N 2.92Å
432Q94.4Very high94.4Very high43 Ų4340.7 Ų40.720%0.20120%0.198CC..THydrogen-bonded Turntrans-97.88.5170.7-67.2-59.6-8900112.9I200 L407 I428 L429 I430 L434I200-Q432 HydrophobicContact CD1-CG 3.94Å; L407-Q432 HydrophobicContact CD2-CG 4.44Å; I428-Q432 WeakPolarHBondContact O-CB 3.19Å; I428-Q432 VanDerWaalsContact O-CG 3.26Å; I428-Q432 WeakPolarHBondContact O-CG 3.17Å; I428-Q432 PolarHBondContact O-N 3.22Å; L429-Q432 CarbonylContact O-C 3.5Å; L429-Q432 WeakPolarHBondContact O-CA 3.46Å; L429-Q432 PolarHBondContact O-N 3.23Å; L429-Q432 VanDerWaalsContact O-N 3.09Å; I430-Q432 PolarHBondContact O-N 3.17Å; Q432-L434 HydrophobicContact CB-CD1 3.94Å; Q432-L434 HydrophobicContact CB-CG 3.98Å; Q432-L434 PolarHBondContact O-N 3Å
433N93.4Very high94.4Very high119 Ų11936.2 Ų36.264%0.63618%0.183SC*.THydrogen-bonded Turntrans52.541.2-176.9-61.3-35.7000111.7L429 I430L429-N433 PolarHBondContact O-N 3.15Å; I430-N433 PolarHBondContact O-N 2.94Å
434L94.6Very high94.4Very high41 Ų4137.5 Ų37.522%0.21519%0.19CC..  trans-102.5-5.9175.2-62.4174.5000112.7P162 I200 L429 Q432P162-L434 WeakPolarHBondContact CD-O 3.26Å; I200-L434 HydrophobicContact CB-CD1 3.82Å; I200-L434 HydrophobicContact CG2-CD1 4.45Å; I200-L434 WeakPolarHBondContact O-CD1 3.25Å; L429-L434 HydrophobicContact CB-CB 4.23Å; L429-L434 HydrophobicContact CD2-CB 4.34Å; L429-L434 HydrophobicContact CD2-CD1 3.71Å; L429-L434 WeakPolarHBondContact O-CB 3.33Å; L429-L434 PolarHBondContact O-N 3.38Å; Q432-L434 HydrophobicContact CB-CD1 3.94Å; Q432-L434 HydrophobicContact CB-CG 3.98Å; Q432-L434 PolarHBondContact O-N 3Å
435C94.1Very high94.3Very high0 Ų040.1 Ų40.10%020%0.204CC..SBendtrans-119.7136.9173.2-62.30000109.2F159 E160 L429 I430F159-C435 HydrophobicContact CB-CB 4.2Å; F159-C435 HydrophobicContact CD1-CB 4.05Å; E160-C435 WeakPolarHBondContact O-CA 3.25Å; E160-C435 WeakPolarHBondContact O-CB 3.18Å; L429-C435 VanDerWaalsContact CB-SG 3.56Å; I430-C435 HydrophobicContact CG1-CB 3.78Å
436D90.9Very high94.2Very high112 Ų11240.6 Ų40.660%0.59921%0.21SC*.EExtended strand (participates in β ladder)trans-93.1147.5175.1-66.7-48.7000110.3F159 E160F159-D436 CarbonylContact C-O 3.58Å; F159-D436 WeakPolarHBondContact CA-O 3.38Å; E160-D436 PolarHBondContact N-O 3.1Å
437I91.6Very high94.1Very high36 Ų3643.9 Ų43.919%0.18523%0.227CC..EExtended strand (participates in β ladder)trans-78.8131.9172.7-68.7171.9000106.8F125 A128 V129 K132 F158 F159F125-I437 HydrophobicContact CD2-CG2 3.85Å; F125-I437 HydrophobicContact CE2-CD1 4.4Å; F125-I437 HydrophobicContact CE2-CG2 3.89Å; A128-I437 HydrophobicContact CB-CD1 3.96Å; A128-I437 HydrophobicContact CB-CG1 4.17Å; A128-I437 HydrophobicContact CB-CG2 4.4Å; V129-I437 HydrophobicContact CG2-CD1 4.14Å; K132-I437 HydrophobicContact CD-CD1 4.3Å; F158-I437 HydrophobicContact CD1-CG2 3.73Å; F158-I437 HydrophobicContact CE1-CG2 3.8Å; F158-I437 WeakPolarHBondContact O-CA 3.05Å; F159-I437 HydrophobicContact CD1-CG1 4.01Å; F159-I437 HydrophobicContact CE1-CD1 4.32Å; F159-I437 HydrophobicContact CE1-CG1 3.54Å; F159-I437 HydrophobicContact CZ-CG1 4.16Å
438I89.4Confident93.9Very high145 Ų14547.4 Ų47.474%0.74425%0.245SC*.  trans-730178.7-58.2172.3000110.9F158 E160F158-I438 PolarHBondContact O-N 2.79Å; E160-I438 HydrophobicContact CB-CG1 4.26Å

Retrieved 438 of 438 residues in 361.4 ms (Link to these results)

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