A0A087YGA4_POEFO Loading...

Calcium homeostasis endoplasmic reticulum protein

AlphaFold DB , UniProt , Accession A0A087YGA4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 903 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
1M42.6Very low62.2Low231 Ų231112.2 Ų112.2100%1.13858%0.584SS**  0111.80-67.7-53.4-163.300106.8
2D40.8Very low63.6Low160 Ų160105.3 Ų105.386%0.85655%0.548SS*.  trans-62.1141.2172.4-64.5-88.5000110.4P4D2-P4 WeakPolarHBondContact O-CD 3.48Å
3V46.9Very low64.9Low129 Ų129103.2 Ų103.278%0.78253%0.528SS*.  trans-82.7113.2173.6-179.80000106.9N5V3-N5 PolarHBondContact O-N 3.35Å
4P62Low66.1Low31 Ų31101.1 Ų101.120%0.20152%0.519CS..PPolyproline II helixtrans-65.3130.5178.826.9-33.4000109.5D2 C58D2-P4 WeakPolarHBondContact O-CD 3.48Å; P4-C58 HydrophobicContact CG-CB 4.21Å
5N60.7Low67.3Low135 Ų13596.9 Ų96.972%0.72250%0.5SS*.PPolyproline II helixtrans-56.1135.1179.3-78.5-11.2000110.7V3V3-N5 PolarHBondContact O-N 3.35Å
6P68.1Low68.5Low53 Ų5390.8 Ų90.834%0.34447%0.468SS..PPolyproline II helixtrans-66157.8168.830.8-34.8000110.1Y55P6-Y55 HydrophobicContact CB-CD2 4.31Å; P6-Y55 HydrophobicContact CB-CE1 4.46Å; P6-Y55 HydrophobicContact CB-CE2 3.76Å
7P70Confident69.5Low7 Ų787.5 Ų87.55%0.04545%0.452CS..PPolyproline II helixtrans-59.3139.8168.8-12.622.7000111.4D9 L12 R13 I16 Y52P7-D9 VanDerWaalsContact C-N 3.25Å; P7-L12 HydrophobicContact CB-CB 4.33Å; P7-L12 HydrophobicContact CB-CD2 4.15Å; P7-L12 HydrophobicContact CB-CG 4.28Å; P7-L12 HydrophobicContact CG-CD2 4.41Å; P7-L12 HydrophobicContact CG-CG 4.25Å; P7-R13 HydrophobicContact CB-CB 4.4Å; P7-R13 HydrophobicContact CG-CB 4.07Å; P7-I16 HydrophobicContact CG-CD1 3.72Å; P7-Y52 VanDerWaalsContact CA-CE1 3.43Å; P7-Y52 HydrophobicContact CB-CD1 4.02Å; P7-Y52 HydrophobicContact CB-CD2 4.39Å; P7-Y52 HydrophobicContact CB-CE1 3.93Å; P7-Y52 HydrophobicContact CB-CE2 4.33Å; P7-Y52 HydrophobicContact CB-CG 4.26Å; P7-Y52 HydrophobicContact CG-CD1 3.66Å; P7-Y52 HydrophobicContact CG-CD2 4.23Å; P7-Y52 HydrophobicContact CG-CE1 4.1Å; P7-Y52 HydrophobicContact CG-CG 3.74Å
8E67.5Low70.4Confident191 Ų19190.7 Ų90.789%0.89346%0.462SS*.SBendtrans-67-29.9170.6-62-173.3141.300111.5Q10E8-Q10 PolarHBondContact O-N 3.18Å
9D75.1Confident71.2Confident80 Ų8086.5 Ų86.543%0.42844%0.441SS..  trans-73.8109.8170.3177.615000111.1P7 E11 L12 R13P7-D9 VanDerWaalsContact C-N 3.25Å; D9-E11 VanDerWaalsContact C-N 3.26Å; D9-E11 PolarHBondContact O-N 3.08Å; D9-E11 WeakPolarHBondContact OD1-CB 3.32Å; D9-E11 PolarHBondContact OD1-N 2.78Å; D9-L12 HydrophobicContact CB-CB 3.98Å; D9-L12 PolarHBondContact O-N 3.1Å; D9-L12 WeakPolarHBondContact OD2-CB 3.27Å; D9-L12 PolarHBondContact OD2-N 3.04Å; D9-R13 PolarHBondContact O-N 3.29Å
10Q73.8Confident72Confident106 Ų10682.2 Ų82.250%0.49542%0.419SS..Hα-helixtrans-63-27.2176.8-171.463.554.100112.8E8 N14E8-Q10 PolarHBondContact O-N 3.18Å; Q10-N14 PolarHBondContact NE2-OD1 3.48Å; Q10-N14 VanDerWaalsContact O-CB 3.28Å; Q10-N14 WeakPolarHBondContact O-CB 3.37Å; Q10-N14 PolarHBondContact O-N 3.18Å; Q10-N14 PolarHBondContact O-ND2 2.84Å; Q10-N14 VanDerWaalsContact O-ND2 3.12Å; Q10-N14 PolarHBondContact O-OD1 3.02Å
11E76.4Confident72.6Confident111 Ų11182 Ų8252%0.51942%0.416SS..Hα-helixtrans-67.8-52.4171.4-73.2-163.3-170.700111.2D9 R13 N14 V15 K43D9-E11 VanDerWaalsContact C-N 3.26Å; D9-E11 PolarHBondContact O-N 3.08Å; D9-E11 WeakPolarHBondContact OD1-CB 3.32Å; D9-E11 PolarHBondContact OD1-N 2.78Å; E11-R13 VanDerWaalsContact C-N 3.29Å; E11-R13 PolarHBondContact O-N 2.86Å; E11-N14 WeakPolarHBondContact O-CB 3.26Å; E11-N14 PolarHBondContact O-N 2.6Å; E11-N14 VanDerWaalsContact O-N 3.09Å; E11-V15 WeakPolarHBondContact O-CG2 3.27Å; E11-V15 PolarHBondContact O-N 3.29Å; E11-K43 IonicContact OE2-NZ 2.69Å; E11-K43 PolarHBondContact OE2-NZ 2.7Å
12L78.9Confident74.5Confident29 Ų2976.4 Ų76.415%0.15239%0.386CS..Hα-helixtrans-58.1-42.6178.8-176.859000111.4P7 D9 V15 I16 F46 Y52P7-L12 HydrophobicContact CB-CB 4.33Å; P7-L12 HydrophobicContact CB-CD2 4.15Å; P7-L12 HydrophobicContact CB-CG 4.28Å; P7-L12 HydrophobicContact CG-CD2 4.41Å; P7-L12 HydrophobicContact CG-CG 4.25Å; D9-L12 HydrophobicContact CB-CB 3.98Å; D9-L12 PolarHBondContact O-N 3.1Å; D9-L12 WeakPolarHBondContact OD2-CB 3.27Å; D9-L12 PolarHBondContact OD2-N 3.04Å; L12-V15 PolarHBondContact O-N 3.39Å; L12-I16 HydrophobicContact CD1-CD1 4.27Å; L12-I16 HydrophobicContact CG-CD1 4.01Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 2.71Å; L12-F46 HydrophobicContact CD1-CD1 4.06Å; L12-F46 HydrophobicContact CD1-CE1 4.37Å; L12-Y52 HydrophobicContact CD2-CD2 4.03Å; L12-Y52 HydrophobicContact CD2-CE2 4.22Å
13R81.3Confident76.6Confident78 Ų7868.9 Ų68.929%0.29435%0.345SS..Hα-helixtrans-60.3-44.8173.4-172.1-180178.2-163-5.4112.4P7 D9 E11 V15 I16 D17 Y55P7-R13 HydrophobicContact CB-CB 4.4Å; P7-R13 HydrophobicContact CG-CB 4.07Å; D9-R13 PolarHBondContact O-N 3.29Å; E11-R13 VanDerWaalsContact C-N 3.29Å; E11-R13 PolarHBondContact O-N 2.86Å; R13-V15 VanDerWaalsContact C-N 3.3Å; R13-V15 PolarHBondContact O-N 3.17Å; R13-I16 PolarHBondContact O-N 3.38Å; R13-D17 WeakPolarHBondContact O-CB 3.49Å; R13-D17 PolarHBondContact O-N 2.89Å; R13-Y55 HydrophobicContact CG-CE1 4.14Å; R13-Y55 PolarHBondContact NE-OH 2.92Å; R13-Y55 VanDerWaalsContact NE-OH 3.08Å
14N81.7Confident78.3Confident75 Ų7563.6 Ų63.640%0.40132%0.315SS..Hα-helixtrans-64.4-32.3176.6-73.2-18.2000112.6Q10 E11 K18Q10-N14 PolarHBondContact NE2-OD1 3.48Å; Q10-N14 VanDerWaalsContact O-CB 3.28Å; Q10-N14 WeakPolarHBondContact O-CB 3.37Å; Q10-N14 PolarHBondContact O-N 3.18Å; Q10-N14 PolarHBondContact O-ND2 2.84Å; Q10-N14 VanDerWaalsContact O-ND2 3.12Å; Q10-N14 PolarHBondContact O-OD1 3.02Å; E11-N14 WeakPolarHBondContact O-CB 3.26Å; E11-N14 PolarHBondContact O-N 2.6Å; E11-N14 VanDerWaalsContact O-N 3.09Å; N14-K18 VanDerWaalsContact O-CB 3.31Å; N14-K18 WeakPolarHBondContact O-CB 3.4Å; N14-K18 VanDerWaalsContact O-CG 3.24Å; N14-K18 WeakPolarHBondContact O-CG 3.34Å; N14-K18 PolarHBondContact O-N 3.4Å
15V83.9Confident79.2Confident37 Ų3769.2 Ų69.222%0.22433%0.332CS..Hα-helixtrans-69.3-45.9173.9170.30000111E11 L12 R13 L19 F44 F46E11-V15 WeakPolarHBondContact O-CG2 3.27Å; E11-V15 PolarHBondContact O-N 3.29Å; L12-V15 PolarHBondContact O-N 3.39Å; R13-V15 VanDerWaalsContact C-N 3.3Å; R13-V15 PolarHBondContact O-N 3.17Å; V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 3.47Å; V15-F44 HydrophobicContact CG1-CD1 4.17Å; V15-F44 HydrophobicContact CG1-CE1 3.59Å; V15-F44 HydrophobicContact CG1-CZ 3.8Å; V15-F46 HydrophobicContact CG1-CE1 4.18Å
16I86.4Confident80.2Confident0 Ų067.3 Ų67.30%032%0.322CS..Hα-helixtrans-62-50178.2-69.1164.3000111.1P7 L12 R13 K18 L19 A20 F46 Y55 Y56P7-I16 HydrophobicContact CG-CD1 3.72Å; L12-I16 HydrophobicContact CD1-CD1 4.27Å; L12-I16 HydrophobicContact CG-CD1 4.01Å; L12-I16 VanDerWaalsContact O-CG1 3.32Å; L12-I16 WeakPolarHBondContact O-CG1 3.49Å; L12-I16 PolarHBondContact O-N 2.71Å; R13-I16 PolarHBondContact O-N 3.38Å; I16-K18 PolarHBondContact O-N 3.47Å; I16-L19 PolarHBondContact O-N 2.96Å; I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 3.19Å; I16-F46 HydrophobicContact CB-CE2 4.48Å; I16-F46 HydrophobicContact CB-CZ 4.33Å; I16-F46 HydrophobicContact CD1-CD1 4.09Å; I16-F46 HydrophobicContact CD1-CD2 4.45Å; I16-F46 HydrophobicContact CD1-CE1 4.37Å; I16-F46 HydrophobicContact CD1-CG 4.13Å; I16-F46 HydrophobicContact CG1-CD1 3.69Å; I16-F46 HydrophobicContact CG1-CD2 3.92Å; I16-F46 HydrophobicContact CG1-CE1 3.5Å; I16-F46 VanDerWaalsContact CG1-CE1 3.5Å; I16-F46 HydrophobicContact CG1-CE2 3.74Å; I16-F46 HydrophobicContact CG1-CG 3.9Å; I16-F46 HydrophobicContact CG1-CZ 3.53Å; I16-Y55 HydrophobicContact CG2-CD1 3.84Å; I16-Y55 HydrophobicContact CG2-CE1 4.2Å; I16-Y56 HydrophobicContact CG2-CD2 4.02Å; I16-Y56 HydrophobicContact CG2-CG 4.37Å
17D85.8Confident80.7Confident35 Ų3566 Ų6619%0.18732%0.318CS..Hα-helixtrans-62.5-42.4-179.3-89.328.9000112.1R13 Q21 K59R13-D17 WeakPolarHBondContact O-CB 3.49Å; R13-D17 PolarHBondContact O-N 2.89Å; D17-Q21 PolarHBondContact O-N 3.27Å; D17-Q21 VanDerWaalsContact O-N 3.15Å; D17-K59 VanDerWaalsContact CG-CE 3.48Å; D17-K59 WeakPolarHBondContact OD1-CD 3.32Å; D17-K59 IonicContact OD1-NZ 2.69Å; D17-K59 WeakPolarHBondContact OD2-CE 3.47Å; D17-K59 IonicContact OD2-NZ 3.51Å; D17-K59 PolarHBondContact OD2-NZ 3.04Å
18K85.8Confident81.1Confident144 Ų14470 Ų7063%0.62634%0.344SS*.Hα-helixtrans-64.1-45.1175.1-77.5177177.8-179.60111.5N14 I16 A20 Q21 F22N14-K18 VanDerWaalsContact O-CB 3.31Å; N14-K18 WeakPolarHBondContact O-CB 3.4Å; N14-K18 VanDerWaalsContact O-CG 3.24Å; N14-K18 WeakPolarHBondContact O-CG 3.34Å; N14-K18 PolarHBondContact O-N 3.4Å; I16-K18 PolarHBondContact O-N 3.47Å; K18-A20 PolarHBondContact O-N 3.46Å; K18-Q21 PolarHBondContact O-N 2.83Å; K18-F22 WeakPolarHBondContact O-CD2 3.49Å; K18-F22 PolarHBondContact O-N 3.09Å
19L85.9Confident81.8Confident12 Ų1267.2 Ų67.26%0.06333%0.331CS..Hα-helixtrans-65.2-40.5-179.8-176.459.2000111.7V15 I16 Q21 F22 V23 F30 T34 F44 F46 L47 Y56V15-L19 WeakPolarHBondContact O-CB 3.24Å; V15-L19 PolarHBondContact O-N 3.47Å; I16-L19 PolarHBondContact O-N 2.96Å; L19-Q21 PolarHBondContact O-N 3.48Å; L19-F22 PolarHBondContact O-N 3.49Å; L19-V23 HydrophobicContact CD1-CG2 3.96Å; L19-V23 HydrophobicContact CG-CG2 4.26Å; L19-V23 WeakPolarHBondContact O-CG2 3.22Å; L19-V23 PolarHBondContact O-N 3.03Å; L19-F30 HydrophobicContact CD1-CD1 4.32Å; L19-F30 HydrophobicContact CD1-CE1 4.02Å; L19-T34 HydrophobicContact CD1-CG2 3.88Å; L19-T34 HydrophobicContact CD2-CG2 3.94Å; L19-F44 HydrophobicContact CD2-CD1 4.12Å; L19-F44 HydrophobicContact CD2-CE1 4.15Å; L19-F46 HydrophobicContact CD2-CE2 4.2Å; L19-F46 HydrophobicContact CD2-CZ 3.92Å; L19-L47 HydrophobicContact CD2-CD1 3.68Å; L19-L47 HydrophobicContact CD2-CD2 3.76Å; L19-L47 HydrophobicContact CD2-CG 4.11Å; L19-Y56 HydrophobicContact CB-CE2 4.37Å; L19-Y56 HydrophobicContact CD2-CE2 4.3Å; L19-Y56 HydrophobicContact CG-CE2 4.09Å
20A85.8Confident82.2Confident0 Ų066 Ų660%032%0.322CS..Hα-helixtrans-57.8-47.6175.300000111.9I16 K18 V23 A24 Y56 K59 L60I16-A20 WeakPolarHBondContact O-CB 3.34Å; I16-A20 PolarHBondContact O-N 3.19Å; K18-A20 PolarHBondContact O-N 3.46Å; A20-V23 PolarHBondContact O-N 2.92Å; A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.41Å; A20-Y56 HydrophobicContact CB-CD2 4.14Å; A20-Y56 HydrophobicContact CB-CE2 4.04Å; A20-K59 HydrophobicContact CB-CB 4.03Å; A20-K59 HydrophobicContact CB-CG 3.56Å; A20-L60 HydrophobicContact CB-CB 4.19Å; A20-L60 VanDerWaalsContact O-CD1 3.3Å; A20-L60 WeakPolarHBondContact O-CD1 3.47Å
21Q85Confident82.7Confident77 Ų7762.7 Ų62.736%0.3631%0.307SS..Hα-helixtrans-67.1-36.1177.5-174.1164.993.400112.7D17 K18 L19 R25 E63D17-Q21 PolarHBondContact O-N 3.27Å; D17-Q21 VanDerWaalsContact O-N 3.15Å; K18-Q21 PolarHBondContact O-N 2.83Å; L19-Q21 PolarHBondContact O-N 3.48Å; Q21-R25 PolarHBondContact O-N 2.73Å; Q21-E63 HydrophobicContact CB-CG 4.22Å; Q21-E63 WeakPolarHBondContact CG-OE2 3.39Å; Q21-E63 PolarHBondContact NE2-OE1 2.89Å; Q21-E63 PolarHBondContact NE2-OE2 3.43Å
22F82Confident83Confident115 Ų11563.6 Ų63.650%0.50431%0.309SS..Hα-helixtrans-67.6-41174.7-95.9-94.7000112.7K18 L19 R25 N26 F30K18-F22 WeakPolarHBondContact O-CD2 3.49Å; K18-F22 PolarHBondContact O-N 3.09Å; L19-F22 PolarHBondContact O-N 3.49Å; F22-R25 PolarHBondContact O-N 3.41Å; F22-N26 WeakPolarHBondContact O-CB 3.29Å; F22-N26 PolarHBondContact O-N 2.94Å; F22-N26 PolarHBondContact O-ND2 3.02Å; F22-F30 HydrophobicContact CB-CD1 4.38Å; F22-F30 HydrophobicContact CB-CE1 3.97Å; F22-F30 HydrophobicContact CD1-CE1 4.41Å; F22-F30 HydrophobicContact CD1-CZ 4.2Å
23V85.6Confident83.1Confident1 Ų165.7 Ų65.71%0.00632%0.319CS..Hα-helixtrans-69-40.6176.1173.70000111L19 A20 R25 N26 G27 F30 E31 L60L19-V23 HydrophobicContact CD1-CG2 3.96Å; L19-V23 HydrophobicContact CG-CG2 4.26Å; L19-V23 WeakPolarHBondContact O-CG2 3.22Å; L19-V23 PolarHBondContact O-N 3.03Å; A20-V23 PolarHBondContact O-N 2.92Å; V23-R25 VanDerWaalsContact C-N 3.26Å; V23-R25 PolarHBondContact O-N 2.69Å; V23-N26 PolarHBondContact O-N 2.79Å; V23-G27 CarbonylContact O-C 3.11Å; V23-G27 WeakPolarHBondContact O-CA 3.36Å; V23-G27 PolarHBondContact O-N 3.03Å; V23-F30 HydrophobicContact CG2-CD1 3.97Å; V23-E31 HydrophobicContact CB-CB 4.43Å; V23-E31 HydrophobicContact CG1-CB 3.79Å; V23-E31 HydrophobicContact CG2-CB 3.69Å; V23-E31 HydrophobicContact CG2-CG 4.41Å; V23-L60 HydrophobicContact CB-CD1 3.84Å; V23-L60 HydrophobicContact CG1-CD1 3.73Å; V23-L60 HydrophobicContact CG1-CD2 4.1Å
24A83.1Confident83.1Confident18 Ų1862.7 Ų62.715%0.14931%0.309CS..Hα-helixtrans-58.2-37174.700000112.8A20 L60 E63 Q64A20-A24 WeakPolarHBondContact O-CB 3.46Å; A20-A24 PolarHBondContact O-N 3.41Å; A24-L60 HydrophobicContact CB-CD1 4.17Å; A24-E63 HydrophobicContact CB-CB 3.63Å; A24-Q64 HydrophobicContact CB-CG 3.75Å
25R80.7Confident83.1Confident150 Ų15061.6 Ų61.657%0.56630%0.302SS*.Hα-helixtrans-83.9-28.3180-170.7172.6-177.3177.12.3114.7Q21 F22 V23Q21-R25 PolarHBondContact O-N 2.73Å; F22-R25 PolarHBondContact O-N 3.41Å; V23-R25 VanDerWaalsContact C-N 3.26Å; V23-R25 PolarHBondContact O-N 2.69Å
26N80.5Confident83Confident94 Ų9466.2 Ų66.250%0.50332%0.322SS..Hα-helixtrans-110.6-4.4-174.5-63.3-88.9000114.2F22 V23 F30F22-N26 WeakPolarHBondContact O-CB 3.29Å; F22-N26 PolarHBondContact O-N 2.94Å; F22-N26 PolarHBondContact O-ND2 3.02Å; V23-N26 PolarHBondContact O-N 2.79Å; N26-F30 HydrophobicContact CB-CB 3.89Å; N26-F30 HydrophobicContact CB-CD2 4.22Å; N26-F30 HydrophobicContact CB-CG 4.14Å
27G79.7Confident82.8Confident26 Ų2673.1 Ų73.127%0.26835%0.352SS..  trans82.8169.5-178.400000114.6V23 E29 F30V23-G27 CarbonylContact O-C 3.11Å; V23-G27 WeakPolarHBondContact O-CA 3.36Å; V23-G27 PolarHBondContact O-N 3.03Å; G27-E29 PolarHBondContact O-N 3.37Å; G27-F30 WeakPolarHBondContact O-CB 3.48Å; G27-F30 PolarHBondContact O-N 3.18Å
28P78.7Confident82.6Confident91 Ų9174.4 Ų74.459%0.59136%0.357SS*.Hα-helixtrans-66.9-17.9-172.326.5-35.6000114.6F30 E31 K32P28-F30 PolarHBondContact O-N 2.98Å; P28-E31 WeakPolarHBondContact O-CB 3.24Å; P28-E31 PolarHBondContact O-N 3.23Å; P28-K32 PolarHBondContact O-N 3.18Å; P28-K32 VanDerWaalsContact O-N 3.12Å
29E81.3Confident82Confident132 Ų13273.7 Ų73.762%0.61735%0.353SS*.Hα-helixtrans-63.7-27.3171.5-64.5-60153.400111.9G27 K32 M33G27-E29 PolarHBondContact O-N 3.37Å; E29-K32 IonicContact OE2-NZ 3.94Å; E29-M33 WeakPolarHBondContact O-CB 3.38Å; E29-M33 PolarHBondContact O-N 3.45Å
30F84.7Confident81.4Confident54 Ų5479.7 Ų79.724%0.23739%0.386CS..Hα-helixtrans-70.8-39.1173.5-168.3-88.8000111.9L19 F22 V23 N26 G27 P28 M33 T34L19-F30 HydrophobicContact CD1-CD1 4.32Å; L19-F30 HydrophobicContact CD1-CE1 4.02Å; F22-F30 HydrophobicContact CB-CD1 4.38Å; F22-F30 HydrophobicContact CB-CE1 3.97Å; F22-F30 HydrophobicContact CD1-CE1 4.41Å; F22-F30 HydrophobicContact CD1-CZ 4.2Å; V23-F30 HydrophobicContact CG2-CD1 3.97Å; N26-F30 HydrophobicContact CB-CB 3.89Å; N26-F30 HydrophobicContact CB-CD2 4.22Å; N26-F30 HydrophobicContact CB-CG 4.14Å; G27-F30 WeakPolarHBondContact O-CB 3.48Å; G27-F30 PolarHBondContact O-N 3.18Å; P28-F30 PolarHBondContact O-N 2.98Å; F30-M33 HydrophobicContact CD2-CE 3.55Å; F30-M33 HydrophobicContact CE2-CE 3.62Å; F30-M33 HydrophobicContact CG-CE 4.36Å; F30-M33 HydrophobicContact CZ-CE 4.46Å; F30-M33 PolarHBondContact O-N 3.33Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.36Å; F30-T34 PolarHBondContact O-N 3.14Å; F30-T34 PolarHBondContact O-OG1 3.43Å; F30-T34 VanDerWaalsContact O-OG1 3.05Å
31E84.1Confident81.1Confident37 Ų3782.3 Ų82.317%0.17340%0.399CS..Hα-helixtrans-58.3-51.9174.2-175.9175.7169.700110.3V23 P28 M33 T34 M35 Y56V23-E31 HydrophobicContact CB-CB 4.43Å; V23-E31 HydrophobicContact CG1-CB 3.79Å; V23-E31 HydrophobicContact CG2-CB 3.69Å; V23-E31 HydrophobicContact CG2-CG 4.41Å; P28-E31 WeakPolarHBondContact O-CB 3.24Å; P28-E31 PolarHBondContact O-N 3.23Å; E31-M33 PolarHBondContact O-N 3Å; E31-T34 WeakPolarHBondContact O-CB 3.46Å; E31-T34 PolarHBondContact O-N 3.47Å; E31-T34 VanDerWaalsContact O-N 3.09Å; E31-M35 HydrophobicContact CG-SD 4.42Å; E31-M35 WeakPolarHBondContact O-CG 3.49Å; E31-M35 PolarHBondContact O-N 3.37Å; E31-Y56 VanDerWaalsContact CD-OH 3.29Å; E31-Y56 WeakPolarHBondContact CG-OH 3.34Å; E31-Y56 WeakPolarHBondContact OE1-CE1 3.4Å
32K81.3Confident80.6Confident130 Ų13083.6 Ų83.657%0.56542%0.415SS*.Hα-helixtrans-59.8-41.4178.6-171.7177.7175.1-170.30112.8P28 E29 M35 E36P28-K32 PolarHBondContact O-N 3.18Å; P28-K32 VanDerWaalsContact O-N 3.12Å; E29-K32 IonicContact OE2-NZ 3.94Å; K32-M35 PolarHBondContact O-N 3.28Å; K32-E36 PolarHBondContact O-N 3.27Å
33M81.3Confident80.2Confident73 Ų7382.7 Ų82.736%0.3641%0.411SS..Hα-helixtrans-66.1-39.6173.5-179.5-175.258.600112.3E29 F30 E31 K37E29-M33 WeakPolarHBondContact O-CB 3.38Å; E29-M33 PolarHBondContact O-N 3.45Å; F30-M33 HydrophobicContact CD2-CE 3.55Å; F30-M33 HydrophobicContact CE2-CE 3.62Å; F30-M33 HydrophobicContact CG-CE 4.36Å; F30-M33 HydrophobicContact CZ-CE 4.46Å; F30-M33 PolarHBondContact O-N 3.33Å; E31-M33 PolarHBondContact O-N 3Å; M33-K37 HydrophobicContact CG-CD 3.94Å; M33-K37 WeakPolarHBondContact O-CB 3.44Å; M33-K37 WeakPolarHBondContact O-CG 3.45Å; M33-K37 PolarHBondContact O-N 3.18Å; M33-K37 VanDerWaalsContact O-N 3.13Å; M33-K37 PolarHBondContact SD-NZ 3.45Å
34T82.6Confident79.8Confident16 Ų1684.3 Ų84.310%0.09842%0.418CS..Hα-helixtrans-64.5-43.1175.3-62.10000110.7L19 F30 E31 K37 Q38 F44 L47L19-T34 HydrophobicContact CD1-CG2 3.88Å; L19-T34 HydrophobicContact CD2-CG2 3.94Å; F30-T34 WeakPolarHBondContact CE1-OG1 3.36Å; F30-T34 PolarHBondContact O-N 3.14Å; F30-T34 PolarHBondContact O-OG1 3.43Å; F30-T34 VanDerWaalsContact O-OG1 3.05Å; E31-T34 WeakPolarHBondContact O-CB 3.46Å; E31-T34 PolarHBondContact O-N 3.47Å; E31-T34 VanDerWaalsContact O-N 3.09Å; T34-K37 PolarHBondContact O-N 3.28Å; T34-Q38 HydrophobicContact CG2-CG 4.13Å; T34-Q38 VanDerWaalsContact O-CB 3.28Å; T34-Q38 WeakPolarHBondContact O-CB 3.48Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 3.06Å; T34-F44 HydrophobicContact CG2-CD1 4.17Å; T34-F44 HydrophobicContact CG2-CE1 4.15Å; T34-L47 HydrophobicContact CG2-CD1 4.1Å
35M81.2Confident79.5Confident51 Ų5186.4 Ų86.425%0.25143%0.431SS..Hα-helixtrans-57.3-52.2174.1-71.6-178.677.600111.7E31 K32 K37 Q38 K39 L47 F48E31-M35 HydrophobicContact CG-SD 4.42Å; E31-M35 WeakPolarHBondContact O-CG 3.49Å; E31-M35 PolarHBondContact O-N 3.37Å; K32-M35 PolarHBondContact O-N 3.28Å; M35-K37 VanDerWaalsContact C-N 3.26Å; M35-K37 PolarHBondContact O-N 3.02Å; M35-Q38 PolarHBondContact O-N 3.21Å; M35-K39 PolarHBondContact O-N 3.12Å; M35-L47 HydrophobicContact CE-CB 4.29Å; M35-L47 WeakPolarHBondContact CE-O 3.26Å; M35-L47 HydrophobicContact CG-CB 3.86Å; M35-L47 HydrophobicContact CG-CD1 3.78Å; M35-L47 HydrophobicContact CG-CG 4.31Å; M35-L47 HydrophobicContact SD-CB 4.38Å; M35-F48 HydrophobicContact CB-CE1 3.77Å; M35-F48 HydrophobicContact CB-CZ 3.97Å; M35-F48 HydrophobicContact CE-CD1 3.62Å; M35-F48 HydrophobicContact CE-CE1 3.78Å; M35-F48 HydrophobicContact CE-CG 4.36Å; M35-F48 HydrophobicContact CG-CE1 4.13Å; M35-F48 HydrophobicContact CG-CZ 4.24Å; M35-F48 VanDerWaalsContact O-CZ 3.27Å; M35-F48 WeakPolarHBondContact O-CZ 3.49Å
36E81.1Confident79.5Confident135 Ų13579.3 Ų79.363%0.63140%0.404SS*.Hα-helixtrans-61.6-34.1-178.8-170.2172.9-157.600112.8K32K32-E36 PolarHBondContact O-N 3.27Å
37K83Confident79.5Confident145 Ų14575 Ų7563%0.6338%0.381SS*.Hα-helixtrans-85.8-21.5-179.5-70.8176.7179.8172.30115.3M33 T34 M35M33-K37 HydrophobicContact CG-CD 3.94Å; M33-K37 WeakPolarHBondContact O-CB 3.44Å; M33-K37 WeakPolarHBondContact O-CG 3.45Å; M33-K37 PolarHBondContact O-N 3.18Å; M33-K37 VanDerWaalsContact O-N 3.13Å; M33-K37 PolarHBondContact SD-NZ 3.45Å; T34-K37 PolarHBondContact O-N 3.28Å; M35-K37 VanDerWaalsContact C-N 3.26Å; M35-K37 PolarHBondContact O-N 3.02Å
38Q80.7Confident79.4Confident62 Ų6278 Ų7829%0.2939%0.387SS..Hα-helixtrans-1188.8-174.4-60-65.9-27.500113.6T34 M35 D40 N41 F44T34-Q38 HydrophobicContact CG2-CG 4.13Å; T34-Q38 VanDerWaalsContact O-CB 3.28Å; T34-Q38 WeakPolarHBondContact O-CB 3.48Å; T34-Q38 WeakPolarHBondContact O-CG 3.49Å; T34-Q38 PolarHBondContact O-N 3.06Å; M35-Q38 PolarHBondContact O-N 3.21Å; Q38-D40 PolarHBondContact O-N 2.73Å; Q38-D40 VanDerWaalsContact O-N 3.1Å; Q38-N41 HydrophobicContact CB-CB 4.38Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 2.91Å; Q38-N41 PolarHBondContact OE1-ND2 3.05Å; Q38-F44 HydrophobicContact CB-CB 3.73Å; Q38-F44 HydrophobicContact CB-CD1 4.42Å; Q38-F44 HydrophobicContact CB-CD2 3.58Å; Q38-F44 HydrophobicContact CB-CE2 4.28Å; Q38-F44 HydrophobicContact CB-CG 3.65Å; Q38-F44 HydrophobicContact CG-CD1 4.5Å; Q38-F44 HydrophobicContact CG-CD2 3.67Å; Q38-F44 HydrophobicContact CG-CE2 3.84Å; Q38-F44 HydrophobicContact CG-CG 4.01Å; Q38-F44 HydrophobicContact CG-CZ 4.34Å
39K73.9Confident78.8Confident129 Ų12976.4 Ų76.456%0.56139%0.387SS*.THydrogen-bonded Turntrans-50.1-32.3175.964.1173.1-164.6171.10114.8M35 F48M35-K39 PolarHBondContact O-N 3.12Å; K39-F48 VanDerWaalsContact CA-CZ 3.41Å; K39-F48 HydrophobicContact CB-CE1 4.03Å; K39-F48 HydrophobicContact CB-CZ 3.89Å
40D73.3Confident78.1Confident138 Ų13871.6 Ų71.674%0.73837%0.372SS*.THydrogen-bonded Turntrans-94.94.8-177.6-49.7-56.2000112.1Q38Q38-D40 PolarHBondContact O-N 2.73Å; Q38-D40 VanDerWaalsContact O-N 3.1Å
41N78.6Confident77.2Confident54 Ų5476.3 Ų76.329%0.28940%0.395SS..  trans-107.5116.1-177.2-177.4-10.9000111.1Q38 K43 F44Q38-N41 HydrophobicContact CB-CB 4.38Å; Q38-N41 WeakPolarHBondContact O-CB 3.46Å; Q38-N41 PolarHBondContact O-N 2.91Å; Q38-N41 PolarHBondContact OE1-ND2 3.05Å; N41-K43 PolarHBondContact O-N 3.42Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-K43 PolarHBondContact OD1-N 3.48Å; N41-F44 HydrophobicContact CB-CD2 4.23Å; N41-F44 PolarHBondContact O-N 2.79Å
42P75.1Confident76.7Confident105 Ų10577.8 Ų77.868%0.68240%0.4SS*.G310 helixtrans-61.3-25.1-176.824.5-34.2000113.7F44 S45P42-F44 PolarHBondContact O-N 3.04Å; P42-S45 VanDerWaalsContact O-CB 3.3Å; P42-S45 WeakPolarHBondContact O-CB 3.41Å; P42-S45 PolarHBondContact O-N 3.27Å; P42-S45 PolarHBondContact O-OG 3.17Å
43K73.4Confident76.6Confident96 Ų9674.2 Ų74.242%0.41738%0.384SS..G310 helixtrans-70-8.8176.3-66.7-162174.2-174.30114.2E11 N41 F46E11-K43 IonicContact OE2-NZ 2.69Å; E11-K43 PolarHBondContact OE2-NZ 2.7Å; N41-K43 PolarHBondContact O-N 3.42Å; N41-K43 VanDerWaalsContact O-N 3.1Å; N41-K43 PolarHBondContact OD1-N 3.48Å; K43-F46 WeakPolarHBondContact O-CE1 3.23Å
44F78Confident76.3Confident35 Ų3574.1 Ų74.115%0.15439%0.391CS..G310 helixtrans-115.18.1174.2-68.8-83.7000113.6V15 L19 T34 Q38 N41 P42 F46 L47 F48V15-F44 HydrophobicContact CG1-CD1 4.17Å; V15-F44 HydrophobicContact CG1-CE1 3.59Å; V15-F44 HydrophobicContact CG1-CZ 3.8Å; L19-F44 HydrophobicContact CD2-CD1 4.12Å; L19-F44 HydrophobicContact CD2-CE1 4.15Å; T34-F44 HydrophobicContact CG2-CD1 4.17Å; T34-F44 HydrophobicContact CG2-CE1 4.15Å; Q38-F44 HydrophobicContact CB-CB 3.73Å; Q38-F44 HydrophobicContact CB-CD1 4.42Å; Q38-F44 HydrophobicContact CB-CD2 3.58Å; Q38-F44 HydrophobicContact CB-CE2 4.28Å; Q38-F44 HydrophobicContact CB-CG 3.65Å; Q38-F44 HydrophobicContact CG-CD1 4.5Å; Q38-F44 HydrophobicContact CG-CD2 3.67Å; Q38-F44 HydrophobicContact CG-CE2 3.84Å; Q38-F44 HydrophobicContact CG-CG 4.01Å; Q38-F44 HydrophobicContact CG-CZ 4.34Å; N41-F44 HydrophobicContact CB-CD2 4.23Å; N41-F44 PolarHBondContact O-N 2.79Å; P42-F44 PolarHBondContact O-N 3.04Å; F44-F46 HydrophobicContact CD1-CE1 4.13Å; F44-F46 HydrophobicContact CD1-CZ 4.17Å; F44-F46 PolarHBondContact O-N 3.3Å; F44-F46 VanDerWaalsContact O-N 3.1Å; F44-L47 HydrophobicContact CB-CD1 4.26Å; F44-L47 HydrophobicContact CD1-CD1 4.13Å; F44-L47 WeakPolarHBondContact O-CB 3.3Å; F44-L47 PolarHBondContact O-N 2.77Å; F44-F48 WeakPolarHBondContact O-CD2 3.48Å; F44-F48 VanDerWaalsContact O-CE2 3.31Å; F44-F48 WeakPolarHBondContact O-CE2 3.23Å
45S76.1Confident76.2Confident62 Ų6274.7 Ų74.743%0.43439%0.392SS..G310 helixtrans-51.4-33178.953.20000114.1P42 L47 F48P42-S45 VanDerWaalsContact O-CB 3.3Å; P42-S45 WeakPolarHBondContact O-CB 3.41Å; P42-S45 PolarHBondContact O-N 3.27Å; P42-S45 PolarHBondContact O-OG 3.17Å; S45-L47 PolarHBondContact O-N 3.36Å; S45-L47 VanDerWaalsContact O-N 3.13Å; S45-F48 PolarHBondContact O-N 3.26Å; S45-F48 VanDerWaalsContact O-N 3.08Å
46F81.1Confident76.4Confident1 Ų172.3 Ų72.30%0.00438%0.38CS..G310 helixtrans-55.8-26.8175.969.4-94.5000114L12 V15 I16 L19 K43 F44 F48 E51 F53 Y56L12-F46 HydrophobicContact CD1-CD1 4.06Å; L12-F46 HydrophobicContact CD1-CE1 4.37Å; V15-F46 HydrophobicContact CG1-CE1 4.18Å; I16-F46 HydrophobicContact CB-CE2 4.48Å; I16-F46 HydrophobicContact CB-CZ 4.33Å; I16-F46 HydrophobicContact CD1-CD1 4.09Å; I16-F46 HydrophobicContact CD1-CD2 4.45Å; I16-F46 HydrophobicContact CD1-CE1 4.37Å; I16-F46 HydrophobicContact CD1-CG 4.13Å; I16-F46 HydrophobicContact CG1-CD1 3.69Å; I16-F46 HydrophobicContact CG1-CD2 3.92Å; I16-F46 HydrophobicContact CG1-CE1 3.5Å; I16-F46 VanDerWaalsContact CG1-CE1 3.5Å; I16-F46 HydrophobicContact CG1-CE2 3.74Å; I16-F46 HydrophobicContact CG1-CG 3.9Å; I16-F46 HydrophobicContact CG1-CZ 3.53Å; L19-F46 HydrophobicContact CD2-CE2 4.2Å; L19-F46 HydrophobicContact CD2-CZ 3.92Å; K43-F46 WeakPolarHBondContact O-CE1 3.23Å; F44-F46 HydrophobicContact CD1-CE1 4.13Å; F44-F46 HydrophobicContact CD1-CZ 4.17Å; F44-F46 PolarHBondContact O-N 3.3Å; F44-F46 VanDerWaalsContact O-N 3.1Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 2.96Å; F46-E51 WeakPolarHBondContact CB-O 3.42Å; F46-F53 WeakPolarHBondContact O-CB 3.42Å; F46-F53 WeakPolarHBondContact O-CD2 3.43Å; F46-F53 WeakPolarHBondContact O-CG 3.43Å; F46-Y56 HydrophobicContact CD2-CD1 4.44Å; F46-Y56 HydrophobicContact CD2-CD2 4.48Å; F46-Y56 HydrophobicContact CD2-CG 4.02Å; F46-Y56 HydrophobicContact CE2-CD1 4.34Å; F46-Y56 AromaticContact CE2-CD2 3.81Å; F46-Y56 HydrophobicContact CE2-CD2 3.81Å; F46-Y56 HydrophobicContact CE2-CE2 4.36Å; F46-Y56 AromaticContact CE2-CG 3.79Å; F46-Y56 HydrophobicContact CE2-CG 3.79Å
47L80.2Confident76.4Confident3 Ų371 Ų712%0.01637%0.372CS..G310 helixtrans-70.2-26.4178.5-67.2173.4000113.3L19 T34 M35 F44 S45 G49 Y56L19-L47 HydrophobicContact CD2-CD1 3.68Å; L19-L47 HydrophobicContact CD2-CD2 3.76Å; L19-L47 HydrophobicContact CD2-CG 4.11Å; T34-L47 HydrophobicContact CG2-CD1 4.1Å; M35-L47 HydrophobicContact CE-CB 4.29Å; M35-L47 WeakPolarHBondContact CE-O 3.26Å; M35-L47 HydrophobicContact CG-CB 3.86Å; M35-L47 HydrophobicContact CG-CD1 3.78Å; M35-L47 HydrophobicContact CG-CG 4.31Å; M35-L47 HydrophobicContact SD-CB 4.38Å; F44-L47 HydrophobicContact CB-CD1 4.26Å; F44-L47 HydrophobicContact CD1-CD1 4.13Å; F44-L47 WeakPolarHBondContact O-CB 3.3Å; F44-L47 PolarHBondContact O-N 2.77Å; S45-L47 PolarHBondContact O-N 3.36Å; S45-L47 VanDerWaalsContact O-N 3.13Å; L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.27Å; L47-Y56 HydrophobicContact CD2-CD1 3.95Å; L47-Y56 HydrophobicContact CD2-CE1 3.53Å; L47-Y56 HydrophobicContact CD2-CE2 4.32Å
48F77.9Confident76.3Confident90 Ų9066.8 Ų66.840%0.39536%0.36SS..G310 helixtrans-96.823.3-170.8-50.9-86.3000112.5M35 K39 F44 S45 F46M35-F48 HydrophobicContact CB-CE1 3.77Å; M35-F48 HydrophobicContact CB-CZ 3.97Å; M35-F48 HydrophobicContact CE-CD1 3.62Å; M35-F48 HydrophobicContact CE-CE1 3.78Å; M35-F48 HydrophobicContact CE-CG 4.36Å; M35-F48 HydrophobicContact CG-CE1 4.13Å; M35-F48 HydrophobicContact CG-CZ 4.24Å; M35-F48 VanDerWaalsContact O-CZ 3.27Å; M35-F48 WeakPolarHBondContact O-CZ 3.49Å; K39-F48 VanDerWaalsContact CA-CZ 3.41Å; K39-F48 HydrophobicContact CB-CE1 4.03Å; K39-F48 HydrophobicContact CB-CZ 3.89Å; F44-F48 WeakPolarHBondContact O-CD2 3.48Å; F44-F48 VanDerWaalsContact O-CE2 3.31Å; F44-F48 WeakPolarHBondContact O-CE2 3.23Å; S45-F48 PolarHBondContact O-N 3.26Å; S45-F48 VanDerWaalsContact O-N 3.08Å; F46-F48 VanDerWaalsContact C-N 3.3Å; F46-F48 PolarHBondContact O-N 2.96Å
49G66.2Low76.4Confident56 Ų5666 Ų6658%0.57736%0.356SS*.THydrogen-bonded Turntrans86.516.8-175.700000114.5L47L47-G49 VanDerWaalsContact C-N 3.31Å; L47-G49 PolarHBondContact O-N 3.27Å
50G67.3Low76.9Confident31 Ų3160.5 Ų60.532%0.3233%0.332SS..  trans-72-178.3171.200000113.6F53G50-F53 VanDerWaalsContact O-CB 3.32Å; G50-F53 WeakPolarHBondContact O-CB 3.4Å; G50-F53 PolarHBondContact O-N 3.15Å
51E64.1Low77.2Confident153 Ų15356.6 Ų56.672%0.71532%0.319SS*.THydrogen-bonded Turntrans-55.8152.6170.1-62.6-176161.200110.9F46 F53F46-E51 WeakPolarHBondContact CB-O 3.42Å; E51-F53 PolarHBondContact O-N 3.05Å; E51-F53 VanDerWaalsContact O-N 3.15Å
52Y74.3Confident77.3Confident68 Ų6859 Ų5927%0.26733%0.33SS..THydrogen-bonded Turntrans64.93.1-175.5-41.5-75.3000116.6P7 L12 S54 Y55 Y56P7-Y52 VanDerWaalsContact CA-CE1 3.43Å; P7-Y52 HydrophobicContact CB-CD1 4.02Å; P7-Y52 HydrophobicContact CB-CD2 4.39Å; P7-Y52 HydrophobicContact CB-CE1 3.93Å; P7-Y52 HydrophobicContact CB-CE2 4.33Å; P7-Y52 HydrophobicContact CB-CG 4.26Å; P7-Y52 HydrophobicContact CG-CD1 3.66Å; P7-Y52 HydrophobicContact CG-CD2 4.23Å; P7-Y52 HydrophobicContact CG-CE1 4.1Å; P7-Y52 HydrophobicContact CG-CG 3.74Å; L12-Y52 HydrophobicContact CD2-CD2 4.03Å; L12-Y52 HydrophobicContact CD2-CE2 4.22Å; Y52-S54 PolarHBondContact O-N 3.21Å; Y52-Y55 WeakPolarHBondContact O-CB 3.46Å; Y52-Y55 PolarHBondContact O-N 2.9Å; Y52-Y55 VanDerWaalsContact O-N 3.1Å; Y52-Y56 PolarHBondContact O-N 3.07Å
53F78.5Confident77.7Confident55 Ų5555.2 Ų55.224%0.24130%0.303CS..Hα-helixtrans-56.4-36.2169.8-173.6-136.1000112.8F46 G50 E51 Y56 K57F46-F53 WeakPolarHBondContact O-CB 3.42Å; F46-F53 WeakPolarHBondContact O-CD2 3.43Å; F46-F53 WeakPolarHBondContact O-CG 3.43Å; G50-F53 VanDerWaalsContact O-CB 3.32Å; G50-F53 WeakPolarHBondContact O-CB 3.4Å; G50-F53 PolarHBondContact O-N 3.15Å; E51-F53 PolarHBondContact O-N 3.05Å; E51-F53 VanDerWaalsContact O-N 3.15Å; F53-Y56 HydrophobicContact CD2-CD1 4.3Å; F53-K57 HydrophobicContact CE1-CD 4.24Å; F53-K57 HydrophobicContact CE2-CD 4.37Å; F53-K57 HydrophobicContact CZ-CD 4.16Å; F53-K57 VanDerWaalsContact CZ-NZ 3.26Å; F53-K57 PolarHBondContact O-N 3.03Å
54S76.4Confident77.8Confident72 Ų7255.3 Ų55.350%0.50331%0.306SS..Hα-helixtrans-66.3-41.8174.450.70000112.5Y52 K57 C58Y52-S54 PolarHBondContact O-N 3.21Å; S54-K57 PolarHBondContact O-N 3.43Å; S54-C58 WeakPolarHBondContact O-CB 3.41Å; S54-C58 PolarHBondContact O-N 3.29Å
55Y79.8Confident77.3Confident28 Ų2860.1 Ų60.111%0.1133%0.328CS..Hα-helixtrans-63.8-46.2174.4-176.5-102.9000111.2P6 R13 I16 Y52 K57 C58 K59P6-Y55 HydrophobicContact CB-CD2 4.31Å; P6-Y55 HydrophobicContact CB-CE1 4.46Å; P6-Y55 HydrophobicContact CB-CE2 3.76Å; R13-Y55 HydrophobicContact CG-CE1 4.14Å; R13-Y55 PolarHBondContact NE-OH 2.92Å; R13-Y55 VanDerWaalsContact NE-OH 3.08Å; I16-Y55 HydrophobicContact CG2-CD1 3.84Å; I16-Y55 HydrophobicContact CG2-CE1 4.2Å; Y52-Y55 WeakPolarHBondContact O-CB 3.46Å; Y52-Y55 PolarHBondContact O-N 2.9Å; Y52-Y55 VanDerWaalsContact O-N 3.1Å; Y55-K57 PolarHBondContact O-N 2.98Å; Y55-C58 PolarHBondContact O-N 2.83Å; Y55-K59 WeakPolarHBondContact O-CB 3.44Å; Y55-K59 PolarHBondContact O-N 3.49Å
56Y84.7Confident76.7Confident0 Ų063.3 Ų63.30%034%0.336CS..Hα-helixtrans-56.2-49.3174170.4-113.1000112.4I16 L19 A20 E31 F46 L47 Y52 F53 C58 K59 L60I16-Y56 HydrophobicContact CG2-CD2 4.02Å; I16-Y56 HydrophobicContact CG2-CG 4.37Å; L19-Y56 HydrophobicContact CB-CE2 4.37Å; L19-Y56 HydrophobicContact CD2-CE2 4.3Å; L19-Y56 HydrophobicContact CG-CE2 4.09Å; A20-Y56 HydrophobicContact CB-CD2 4.14Å; A20-Y56 HydrophobicContact CB-CE2 4.04Å; E31-Y56 VanDerWaalsContact CD-OH 3.29Å; E31-Y56 WeakPolarHBondContact CG-OH 3.34Å; E31-Y56 WeakPolarHBondContact OE1-CE1 3.4Å; F46-Y56 HydrophobicContact CD2-CD1 4.44Å; F46-Y56 HydrophobicContact CD2-CD2 4.48Å; F46-Y56 HydrophobicContact CD2-CG 4.02Å; F46-Y56 HydrophobicContact CE2-CD1 4.34Å; F46-Y56 AromaticContact CE2-CD2 3.81Å; F46-Y56 HydrophobicContact CE2-CD2 3.81Å; F46-Y56 HydrophobicContact CE2-CE2 4.36Å; F46-Y56 AromaticContact CE2-CG 3.79Å; F46-Y56 HydrophobicContact CE2-CG 3.79Å; L47-Y56 HydrophobicContact CD2-CD1 3.95Å; L47-Y56 HydrophobicContact CD2-CE1 3.53Å; L47-Y56 HydrophobicContact CD2-CE2 4.32Å; Y52-Y56 PolarHBondContact O-N 3.07Å; F53-Y56 HydrophobicContact CD2-CD1 4.3Å; Y56-C58 PolarHBondContact O-N 3.16Å; Y56-K59 PolarHBondContact O-N 3.2Å; Y56-L60 HydrophobicContact CE1-CD2 4.27Å; Y56-L60 VanDerWaalsContact O-CB 3.29Å; Y56-L60 WeakPolarHBondContact O-CB 3.12Å; Y56-L60 PolarHBondContact O-N 3.48Å
57K81.6Confident75.7Confident107 Ų10767.7 Ų67.747%0.46536%0.357SS..Hα-helixtrans-63.2-40.1178-81.3-177.7167.2175.90113.2F53 S54 Y55 L60 A61F53-K57 HydrophobicContact CE1-CD 4.24Å; F53-K57 HydrophobicContact CE2-CD 4.37Å; F53-K57 HydrophobicContact CZ-CD 4.16Å; F53-K57 VanDerWaalsContact CZ-NZ 3.26Å; F53-K57 PolarHBondContact O-N 3.03Å; S54-K57 PolarHBondContact O-N 3.43Å; Y55-K57 PolarHBondContact O-N 2.98Å; K57-L60 PolarHBondContact O-N 2.95Å; K57-A61 WeakPolarHBondContact O-CB 3.22Å; K57-A61 PolarHBondContact O-N 3.48Å
58C81.2Confident74.1Confident58 Ų5874.7 Ų74.739%0.39239%0.393SS..Hα-helixtrans-61.5-49.3175-171.20000110.9P4 S54 Y55 Y56 L60 A61 M62P4-C58 HydrophobicContact CG-CB 4.21Å; S54-C58 WeakPolarHBondContact O-CB 3.41Å; S54-C58 PolarHBondContact O-N 3.29Å; Y55-C58 PolarHBondContact O-N 2.83Å; Y56-C58 PolarHBondContact O-N 3.16Å; C58-L60 PolarHBondContact O-N 2.93Å; C58-A61 PolarHBondContact O-N 3.12Å; C58-M62 WeakPolarHBondContact O-CG 3.33Å; C58-M62 PolarHBondContact O-N 3.27Å; C58-M62 VanDerWaalsContact O-N 3.08Å
59K83.3Confident72.4Confident45 Ų4578.8 Ų78.820%0.19641%0.411CS..Hα-helixtrans-60.3-44.3177.1-175.174.4-169.2-158.50112.2D17 A20 Y55 Y56 A61 M62 E63D17-K59 VanDerWaalsContact CG-CE 3.48Å; D17-K59 WeakPolarHBondContact OD1-CD 3.32Å; D17-K59 IonicContact OD1-NZ 2.69Å; D17-K59 WeakPolarHBondContact OD2-CE 3.47Å; D17-K59 IonicContact OD2-NZ 3.51Å; D17-K59 PolarHBondContact OD2-NZ 3.04Å; A20-K59 HydrophobicContact CB-CB 4.03Å; A20-K59 HydrophobicContact CB-CG 3.56Å; Y55-K59 WeakPolarHBondContact O-CB 3.44Å; Y55-K59 PolarHBondContact O-N 3.49Å; Y56-K59 PolarHBondContact O-N 3.2Å; K59-A61 PolarHBondContact O-N 3.38Å; K59-M62 PolarHBondContact O-N 2.94Å; K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.2Å; K59-E63 IonicContact NZ-OE1 3.5Å; K59-E63 WeakPolarHBondContact O-CG 3.47Å; K59-E63 PolarHBondContact O-N 3.45Å
60L83.8Confident71.4Confident13 Ų1381 Ų817%0.06841%0.41CS..Hα-helixtrans-62-41.5178.2177.459000112A20 V23 A24 Y56 K57 C58 E63 Q64A20-L60 HydrophobicContact CB-CB 4.19Å; A20-L60 VanDerWaalsContact O-CD1 3.3Å; A20-L60 WeakPolarHBondContact O-CD1 3.47Å; V23-L60 HydrophobicContact CB-CD1 3.84Å; V23-L60 HydrophobicContact CG1-CD1 3.73Å; V23-L60 HydrophobicContact CG1-CD2 4.1Å; A24-L60 HydrophobicContact CB-CD1 4.17Å; Y56-L60 HydrophobicContact CE1-CD2 4.27Å; Y56-L60 VanDerWaalsContact O-CB 3.29Å; Y56-L60 WeakPolarHBondContact O-CB 3.12Å; Y56-L60 PolarHBondContact O-N 3.48Å; K57-L60 PolarHBondContact O-N 2.95Å; C58-L60 PolarHBondContact O-N 2.93Å; L60-E63 PolarHBondContact O-N 3.43Å; L60-Q64 HydrophobicContact CD1-CG 4.29Å; L60-Q64 WeakPolarHBondContact O-CB 3.38Å; L60-Q64 WeakPolarHBondContact O-CG 3.29Å; L60-Q64 PolarHBondContact O-N 3.14Å
61A80.1Confident70Confident56 Ų5685.5 Ų85.546%0.46343%0.433SS..Hα-helixtrans-63.1-43174.700000112K57 C58 K59 Q64 Q65K57-A61 WeakPolarHBondContact O-CB 3.22Å; K57-A61 PolarHBondContact O-N 3.48Å; C58-A61 PolarHBondContact O-N 3.12Å; K59-A61 PolarHBondContact O-N 3.38Å; A61-Q64 PolarHBondContact O-N 3.42Å; A61-Q65 WeakPolarHBondContact O-CB 3.45Å; A61-Q65 PolarHBondContact O-N 3.3Å
62M81.1Confident68.6Low106 Ų10680.5 Ų80.552%0.52242%0.423SS..Hα-helixtrans-62.7-43.7176.5-67.3176.672.600112.6C58 K59 Q65 Q66C58-M62 WeakPolarHBondContact O-CG 3.33Å; C58-M62 PolarHBondContact O-N 3.27Å; C58-M62 VanDerWaalsContact O-N 3.08Å; K59-M62 PolarHBondContact O-N 2.94Å; M62-Q65 PolarHBondContact O-N 3.37Å; M62-Q66 PolarHBondContact O-N 3.03Å
63E82.4Confident66.7Low24 Ų2484 Ų8411%0.11245%0.447CS..Hα-helixtrans-66.7-41.2178.4-67.8-74.2160.200111.7Q21 A24 K59 L60 Q65 Q66 H67Q21-E63 HydrophobicContact CB-CG 4.22Å; Q21-E63 WeakPolarHBondContact CG-OE2 3.39Å; Q21-E63 PolarHBondContact NE2-OE1 2.89Å; Q21-E63 PolarHBondContact NE2-OE2 3.43Å; A24-E63 HydrophobicContact CB-CB 3.63Å; K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.2Å; K59-E63 IonicContact NZ-OE1 3.5Å; K59-E63 WeakPolarHBondContact O-CG 3.47Å; K59-E63 PolarHBondContact O-N 3.45Å; L60-E63 PolarHBondContact O-N 3.43Å; E63-Q65 VanDerWaalsContact C-N 3.35Å; E63-Q65 PolarHBondContact O-N 3.3Å; E63-Q66 PolarHBondContact O-N 2.99Å; E63-H67 WeakPolarHBondContact O-CB 3.35Å; E63-H67 PolarHBondContact O-N 2.9Å
64Q76.3Confident64.6Low99 Ų9988 Ų8846%0.46346%0.464SS..Hα-helixtrans-62.7-40.8173.2-73.6-178.135.600111.9A24 L60 A61 H67 L68A24-Q64 HydrophobicContact CB-CG 3.75Å; L60-Q64 HydrophobicContact CD1-CG 4.29Å; L60-Q64 WeakPolarHBondContact O-CB 3.38Å; L60-Q64 WeakPolarHBondContact O-CG 3.29Å; L60-Q64 PolarHBondContact O-N 3.14Å; A61-Q64 PolarHBondContact O-N 3.42Å; Q64-H67 PolarHBondContact O-N 2.92Å; Q64-L68 PolarHBondContact O-N 2.92Å; Q64-L68 VanDerWaalsContact O-N 3.11Å
65Q67Low62.6Low135 Ų13589.6 Ų89.663%0.63147%0.467SS*.Hα-helixtrans-68.4-34.6178.9-162.7170.722.700112.4A61 M62 E63A61-Q65 WeakPolarHBondContact O-CB 3.45Å; A61-Q65 PolarHBondContact O-N 3.3Å; M62-Q65 PolarHBondContact O-N 3.37Å; E63-Q65 VanDerWaalsContact C-N 3.35Å; E63-Q65 PolarHBondContact O-N 3.3Å
66Q63.5Low60.4Low129 Ų12994.9 Ų94.960%0.60350%0.502SS*.Hα-helixtrans-67.1-42.3169.9-73.9-169.6700112.3M62 E63 L68 F69 N70M62-Q66 PolarHBondContact O-N 3.03Å; E63-Q66 PolarHBondContact O-N 2.99Å; Q66-L68 PolarHBondContact O-N 3.42Å; Q66-F69 PolarHBondContact O-N 3.36Å; Q66-F69 VanDerWaalsContact O-N 3.08Å; Q66-N70 PolarHBondContact O-N 3.14Å
67H59.8Low58.4Low94 Ų94100.6 Ų100.644%0.43554%0.536SS..Hα-helixtrans-65.2-22.8-179.9-159.8-59.1000112.7E63 Q64E63-H67 WeakPolarHBondContact O-CB 3.35Å; E63-H67 PolarHBondContact O-N 2.9Å; Q64-H67 PolarHBondContact O-N 2.92Å
68L46.6Very low56Low150 Ų150102.2 Ų102.279%0.78555%0.55SS**Hα-helixtrans-76.7-23.8174.5-142.674.3000113.5Q64 Q66Q64-L68 PolarHBondContact O-N 2.92Å; Q64-L68 VanDerWaalsContact O-N 3.11Å; Q66-L68 PolarHBondContact O-N 3.42Å
69F42.3Very low53.6Low175 Ų175106.2 Ų106.277%0.76857%0.566SS**Hα-helixtrans-103.3-9.1-175.5-90.9-86.7000114.9Q66Q66-F69 PolarHBondContact O-N 3.36Å; Q66-F69 VanDerWaalsContact O-N 3.08Å
70N44.5Very low51.2Low103 Ų103109.5 Ų109.555%0.55159%0.592SS**  trans-149.591177.4-168.9-5.9000113Q66 G72Q66-N70 PolarHBondContact O-N 3.14Å; N70-G72 VanDerWaalsContact C-N 3.26Å; N70-G72 PolarHBondContact O-N 2.75Å; N70-G72 PolarHBondContact OD1-N 3.17Å
71P38.7Very low48.8Very low125 Ų125117.1 Ų117.181%0.81263%0.627SS**  trans-818.4-175.533.2-36.6000114.8
72G35.8Very low46.5Very low49 Ų49119.6 Ų119.651%0.50564%0.639SS.*  trans-141.273.4-167.600000116N70N70-G72 VanDerWaalsContact C-N 3.26Å; N70-G72 PolarHBondContact O-N 2.75Å; N70-G72 PolarHBondContact OD1-N 3.17Å
73N33.5Very low43.8Very low142 Ų142119.4 Ų119.476%0.75965%0.648SS**  trans-162.7168.5158.6-121.7-58000115.8
74K33.8Very low41.6Very low137 Ų137127 Ų12760%0.59669%0.685SS**  trans83.2137.9-173.3-52.5168.7-177.5174.10112.7
75D35.3Very low39.3Very low106 Ų106131.3 Ų131.357%0.56771%0.705SS**  cis-123.3143.527.4-54.1-61.2000117.8K830D75-K830 PolarHBondContact O-NZ 3.04Å
76V32.5Very low37.9Very low140 Ų140133.3 Ų133.385%0.84872%0.72SS**  trans-140150147.3179.30000105.9
77V43Very low36.4Very low119 Ų119132.9 Ų132.972%0.72173%0.726SS**  trans-126.7113.8-160.9175.70000113.3
78D30.6Very low35.2Very low142 Ų142133.7 Ų133.776%0.75974%0.739SS**  trans58.1178.8157.1-134.1-0.5000115.6
79I31.9Very low34.6Very low142 Ų142132.3 Ų132.373%0.72874%0.739SS**  cis-149.3166.9-3.2-8.9160.5000106.7
80P32.7Very low34.6Very low114 Ų114129.4 Ų129.474%0.7474%0.738SS**  cis-118.2-171.4-29.341.6-28.3000112.1
81H34Very low34.6Very low172 Ų172130.4 Ų130.480%0.79675%0.75SS**  trans-115.3131.5173.9-152.3-69.9000112.2
82P31.6Very low35.1Very low109 Ų109130.9 Ų130.971%0.70875%0.75SS**  trans-134.6157.7133.137.7-28.1000110.8
83S25.3Very low35.3Very low102 Ų102133.1 Ų133.171%0.71376%0.764SS**  cis-154.5172-7.845.10000108
84M35.7Very low35.8Very low184 Ų184133.8 Ų133.891%0.90677%0.766SS**  trans-68.6134.9-177.1-75.1-174.7161.800113.4
85Q27.3Very low36.2Very low188 Ų188133 Ų13388%0.87978%0.778SS**  trans-134.1146.7147.1-72.7-161.9-8.200110.5
86L37.7Very low37.2Very low178 Ų178132.1 Ų132.193%0.93279%0.786SS**  trans-91.6120.1-169.8-176.171.9000110.6
87V32.6Very low38.5Very low120 Ų120129.8 Ų129.873%0.72778%0.781SS**  trans-134.8136.3175.7-177.80000108.1
88P34Very low39.8Very low110 Ų110127.8 Ų127.871%0.71477%0.771SS**PPolyproline II helixtrans-64.6158.6-177.326.1-35.7000113.1
89P34.4Very low42.4Very low121 Ų121123.3 Ų123.379%0.78675%0.751SS**PPolyproline II helixtrans-66.6141.4-176.327.9-35.6000112.1
90P41.4Very low45Very low114 Ų114118.5 Ų118.574%0.7473%0.726SS**PPolyproline II helixtrans-68.9161.6166.931.7-35000110.8
91P44.2Very low47.5Very low124 Ų124117.9 Ų117.981%0.80572%0.716SS**PPolyproline II helixtrans-60.3156.1178.5-22.634.2000113.2A93P91-A93 PolarHBondContact O-N 3.27Å
92V50.1Low50.2Low135 Ų135115 Ų11582%0.81870%0.703SS**  trans-59.4109.4178.7-175.70000110.2L94V92-L94 PolarHBondContact O-N 3.15Å
93A39.6Very low52.9Low96 Ų96112 Ų11279%0.79368%0.681SS**  trans-71.6106.9167.600000108.8P91P91-A93 PolarHBondContact O-N 3.27Å
94L43.6Very low56.1Low156 Ų156107.8 Ų107.882%0.81765%0.65SS**PPolyproline II helixtrans-58.5143.7168.9-68.5168.5000109.4V92 A96V92-L94 PolarHBondContact O-N 3.15Å; L94-A96 PolarHBondContact O-N 2.9Å
95S43.8Very low58.9Low121 Ų121105.4 Ų105.485%0.84664%0.637SS**PPolyproline II helixtrans-57.6122.2177.4-174.40000109.8A97S95-A97 PolarHBondContact O-N 3.1Å
96A55.4Low61.9Low88 Ų88102.1 Ų102.173%0.72762%0.622SS**PPolyproline II helixtrans-65131.9174.500000109.2L94L94-A96 PolarHBondContact O-N 2.9Å
97A60.6Low64.5Low90 Ų9094.7 Ų94.774%0.74458%0.584SS**PPolyproline II helixtrans-61.3142.3169.800000109.6S95S95-A97 PolarHBondContact O-N 3.1Å
98P69.3Low67.4Low78 Ų7893.8 Ų93.851%0.50657%0.573SS.*PPolyproline II helixtrans-59.3141.3177.126.3-34.8000110.1L103P98-L103 HydrophobicContact CB-CG 4.31Å; P98-L103 HydrophobicContact CG-CD1 4.34Å; P98-L103 HydrophobicContact CG-CD2 4.05Å; P98-L103 HydrophobicContact CG-CG 4.18Å
99S85.8Confident70.2Confident48 Ų4895.7 Ų95.734%0.33657%0.566SS.*PPolyproline II helixtrans-66.2156.2179.965.70000111.6D101 E102 L103S99-D101 PolarHBondContact O-N 3.48Å; S99-E102 VanDerWaalsContact CB-OE2 3.26Å; S99-E102 WeakPolarHBondContact CB-OE2 3.36Å; S99-E102 PolarHBondContact N-OE2 3.47Å; S99-E102 PolarHBondContact O-N 2.99Å; S99-E102 VanDerWaalsContact O-N 3.16Å; S99-E102 WeakPolarHBondContact OG-CB 3.37Å; S99-E102 VanDerWaalsContact OG-CD 3.28Å; S99-E102 VanDerWaalsContact OG-CG 3.24Å; S99-E102 WeakPolarHBondContact OG-CG 3.5Å; S99-E102 PolarHBondContact OG-N 3.3Å; S99-E102 PolarHBondContact OG-OE2 2.99Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.02Å
100I85Confident73.1Confident40 Ų4093.3 Ų93.321%0.20555%0.546CS..Hα-helixtrans-58.5-35.9177.1-69.9174.1000110.8L103 I104 L323 Q327I100-L103 PolarHBondContact O-N 3.49Å; I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 VanDerWaalsContact O-CG1 3.23Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 2.91Å; I100-L323 HydrophobicContact CG2-CB 4.09Å; I100-Q327 HydrophobicContact CD1-CB 3.84Å; I100-Q327 HydrophobicContact CD1-CG 3.93Å
101D87Confident75.6Confident102 Ų10288.9 Ų88.955%0.54552%0.516SS..Hα-helixtrans-70-38.8177.3-63-62.4000112.6S99 I104 Q105S99-D101 PolarHBondContact O-N 3.48Å; D101-I104 PolarHBondContact O-N 3.48Å; D101-Q105 WeakPolarHBondContact O-CB 3.26Å; D101-Q105 PolarHBondContact O-N 3.45Å
102E89.8Confident78.1Confident110 Ų11088.1 Ų88.151%0.51450%0.502SS..Hα-helixtrans-64-40.6172.1-74.3163.6125.200111.9S99 Q105 Q106S99-E102 VanDerWaalsContact CB-OE2 3.26Å; S99-E102 WeakPolarHBondContact CB-OE2 3.36Å; S99-E102 PolarHBondContact N-OE2 3.47Å; S99-E102 PolarHBondContact O-N 2.99Å; S99-E102 VanDerWaalsContact O-N 3.16Å; S99-E102 WeakPolarHBondContact OG-CB 3.37Å; S99-E102 VanDerWaalsContact OG-CD 3.28Å; S99-E102 VanDerWaalsContact OG-CG 3.24Å; S99-E102 WeakPolarHBondContact OG-CG 3.5Å; S99-E102 PolarHBondContact OG-N 3.3Å; S99-E102 PolarHBondContact OG-OE2 2.99Å; E102-Q105 PolarHBondContact O-N 2.84Å; E102-Q106 WeakPolarHBondContact O-CB 3.24Å; E102-Q106 PolarHBondContact O-N 3.26Å
103L89.1Confident80.1Confident48 Ų4885.5 Ų85.525%0.25148%0.481SS..Hα-helixtrans-64.6-39.6175.4-72.3165.6000112P98 S99 I100 S107 L323P98-L103 HydrophobicContact CB-CG 4.31Å; P98-L103 HydrophobicContact CG-CD1 4.34Å; P98-L103 HydrophobicContact CG-CD2 4.05Å; P98-L103 HydrophobicContact CG-CG 4.18Å; S99-L103 WeakPolarHBondContact O-CG 3.44Å; S99-L103 PolarHBondContact O-N 3.02Å; I100-L103 PolarHBondContact O-N 3.49Å; L103-S107 VanDerWaalsContact O-CB 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.47Å; L103-S107 PolarHBondContact O-N 3.3Å; L103-L323 HydrophobicContact CB-CD1 3.93Å
104I91.6Very high82.6Confident13 Ų1385.5 Ų85.57%0.06746%0.464CS..Hα-helixtrans-64.3-45.9172.7-70.9166.5000110.2I100 D101 S107 Q108 V320 L323 K324I100-I104 HydrophobicContact CG2-CD1 3.86Å; I100-I104 VanDerWaalsContact O-CG1 3.23Å; I100-I104 WeakPolarHBondContact O-CG1 3.4Å; I100-I104 PolarHBondContact O-N 2.91Å; D101-I104 PolarHBondContact O-N 3.48Å; I104-S107 PolarHBondContact O-N 3.08Å; I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 3.46Å; I104-V320 HydrophobicContact CD1-CG1 4.2Å; I104-V320 HydrophobicContact CG1-CG1 4.28Å; I104-V320 HydrophobicContact CG1-CG2 4.26Å; I104-V320 HydrophobicContact CG2-CG1 4.34Å; I104-V320 HydrophobicContact CG2-CG2 4.08Å; I104-L323 HydrophobicContact CG1-CD1 3.8Å; I104-K324 HydrophobicContact CD1-CG 4.29Å
105Q94.3Very high85.1Confident133 Ų13379.6 Ų79.662%0.62143%0.432SS*.Hα-helixtrans-64-42.2179.8-171.917710.100112.3D101 E102 S107 Q108 W109D101-Q105 WeakPolarHBondContact O-CB 3.26Å; D101-Q105 PolarHBondContact O-N 3.45Å; E102-Q105 PolarHBondContact O-N 2.84Å; Q105-S107 VanDerWaalsContact C-N 3.34Å; Q105-Q108 PolarHBondContact O-N 2.99Å; Q105-W109 PolarHBondContact O-N 2.98Å
106Q91.3Very high87.5Confident119 Ų11978.6 Ų78.656%0.55642%0.415SS*.Hα-helixtrans-62.9-41.6174.7-169.4-177.634.400111.2E102 W109 N110E102-Q106 WeakPolarHBondContact O-CB 3.24Å; E102-Q106 PolarHBondContact O-N 3.26Å; Q106-W109 PolarHBondContact O-N 3.32Å; Q106-N110 WeakPolarHBondContact O-CB 3.38Å; Q106-N110 VanDerWaalsContact O-CG 3.26Å; Q106-N110 PolarHBondContact O-N 3.46Å; Q106-N110 PolarHBondContact O-ND2 3.4Å
107S91.4Very high89.4Confident22 Ų2280.4 Ų80.415%0.15441%0.407CS..Hα-helixtrans-65.4-38.2175.9-170.30000112.6L103 I104 Q105 N110 L111 H316 F319L103-S107 VanDerWaalsContact O-CB 3.3Å; L103-S107 WeakPolarHBondContact O-CB 3.47Å; L103-S107 PolarHBondContact O-N 3.3Å; I104-S107 PolarHBondContact O-N 3.08Å; Q105-S107 VanDerWaalsContact C-N 3.34Å; S107-N110 PolarHBondContact O-N 2.98Å; S107-L111 WeakPolarHBondContact O-CB 3.45Å; S107-L111 PolarHBondContact O-N 3.5Å; S107-H316 PolarHBondContact OG-CE1 3.08Å; S107-H316 PolarHBondContact OG-ND1 3.47Å; S107-F319 VanDerWaalsContact CB-CE1 3.45Å; S107-F319 VanDerWaalsContact OG-CD1 3.23Å; S107-F319 WeakPolarHBondContact OG-CD1 3.39Å
108Q93.1Very high91.1Very high102 Ų10276.7 Ų76.748%0.47738%0.375SS..Hα-helixtrans-64-42.9172.9-74.3175.72.300112I104 Q105 L111 Q112 H316I104-Q108 WeakPolarHBondContact O-CG 3.35Å; I104-Q108 PolarHBondContact O-N 3.46Å; Q105-Q108 PolarHBondContact O-N 2.99Å; Q108-L111 PolarHBondContact O-N 3.28Å; Q108-Q112 WeakPolarHBondContact O-CB 3.44Å; Q108-Q112 PolarHBondContact O-N 3.37Å; Q108-H316 VanDerWaalsContact CG-CE1 3.44Å; Q108-H316 WeakPolarHBondContact CG-CE1 3.49Å; Q108-H316 WeakPolarHBondContact CG-NE2 3.41Å; Q108-H316 PolarHBondContact N-CE1 2.96Å
109W94.1Very high92.4Very high150 Ų15077 Ų7757%0.56837%0.369SS*.Hα-helixtrans-64.6-44.4177.1-172.986.8000111.7Q105 Q106 L111 Q112 Q113Q105-W109 PolarHBondContact O-N 2.98Å; Q106-W109 PolarHBondContact O-N 3.32Å; W109-L111 PolarHBondContact O-N 3.08Å; W109-Q112 PolarHBondContact O-N 2.6Å; W109-Q113 HydrophobicContact CD2-CG 4.05Å; W109-Q113 HydrophobicContact CE3-CG 4.03Å; W109-Q113 HydrophobicContact CH2-CG 3.72Å; W109-Q113 HydrophobicContact CZ2-CG 3.73Å; W109-Q113 HydrophobicContact CZ3-CG 3.87Å; W109-Q113 WeakPolarHBondContact O-CG 3.45Å; W109-Q113 PolarHBondContact O-N 2.97Å
110N94.4Very high92.9Very high70 Ų7079.1 Ų79.137%0.37438%0.381SS..Hα-helixtrans-59.1-45.7175.1-74.3-21.9000111.9Q106 S107 Q112 Q113 Q114Q106-N110 WeakPolarHBondContact O-CB 3.38Å; Q106-N110 VanDerWaalsContact O-CG 3.26Å; Q106-N110 PolarHBondContact O-N 3.46Å; Q106-N110 PolarHBondContact O-ND2 3.4Å; S107-N110 PolarHBondContact O-N 2.98Å; N110-Q112 PolarHBondContact O-N 3.35Å; N110-Q113 PolarHBondContact O-N 3.11Å; N110-Q114 WeakPolarHBondContact O-CG 3.33Å; N110-Q114 PolarHBondContact O-N 3.24Å
111L95.2Very high93.4Very high22 Ų2279.9 Ų79.912%0.11539%0.385CS..Hα-helixtrans-58.3-47.5174174.567.1000111.1S107 Q108 W109 Q113 Q114 E115 L312 K313 H316S107-L111 WeakPolarHBondContact O-CB 3.45Å; S107-L111 PolarHBondContact O-N 3.5Å; Q108-L111 PolarHBondContact O-N 3.28Å; W109-L111 PolarHBondContact O-N 3.08Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.26Å; L111-Q114 PolarHBondContact O-N 3.38Å; L111-E115 HydrophobicContact CD1-CG 4.21Å; L111-E115 HydrophobicContact CG-CG 4.45Å; L111-E115 WeakPolarHBondContact CG-OE1 3.36Å; L111-E115 WeakPolarHBondContact O-CG 3.38Å; L111-E115 PolarHBondContact O-N 3.5Å; L111-L312 HydrophobicContact CD1-CB 3.8Å; L111-K313 HydrophobicContact CD1-CG 4.37Å; L111-K313 HydrophobicContact CD2-CG 4.32Å; L111-H316 HydrophobicContact CD1-CB 4.48Å; L111-H316 HydrophobicContact CD2-CB 3.82Å
112Q95.1Very high93.9Very high108 Ų10878.4 Ų78.451%0.50537%0.372SS..Hα-helixtrans-61.6-39-179.1-169.5177.730.400112.5Q108 W109 N110 Q116Q108-Q112 WeakPolarHBondContact O-CB 3.44Å; Q108-Q112 PolarHBondContact O-N 3.37Å; W109-Q112 PolarHBondContact O-N 2.6Å; N110-Q112 PolarHBondContact O-N 3.35Å; Q112-Q116 WeakPolarHBondContact O-CB 3.33Å; Q112-Q116 WeakPolarHBondContact O-CG 3.47Å; Q112-Q116 PolarHBondContact O-N 3.33Å
113Q93.7Very high94.1Very high79 Ų7976.3 Ų76.337%0.36936%0.362SS..Hα-helixtrans-66.3-42.4174.3-68.8-56.7-79.400112.3W109 N110 L111 Q116 H117W109-Q113 HydrophobicContact CD2-CG 4.05Å; W109-Q113 HydrophobicContact CE3-CG 4.03Å; W109-Q113 HydrophobicContact CH2-CG 3.72Å; W109-Q113 HydrophobicContact CZ2-CG 3.73Å; W109-Q113 HydrophobicContact CZ3-CG 3.87Å; W109-Q113 WeakPolarHBondContact O-CG 3.45Å; W109-Q113 PolarHBondContact O-N 2.97Å; N110-Q113 PolarHBondContact O-N 3.11Å; L111-Q113 VanDerWaalsContact C-N 3.33Å; L111-Q113 PolarHBondContact O-N 3.26Å; Q113-Q116 VanDerWaalsContact NE2-OE1 3.16Å; Q113-Q116 PolarHBondContact O-N 3.47Å; Q113-H117 WeakPolarHBondContact O-CB 3.38Å; Q113-H117 PolarHBondContact O-N 3.42Å
114Q91.9Very high94.4Very high97 Ų9780.1 Ų80.145%0.45338%0.379SS..Hα-helixtrans-65.1-41176.3-69.2177.16.200112N110 L111 H117 L118 L312N110-Q114 WeakPolarHBondContact O-CG 3.33Å; N110-Q114 PolarHBondContact O-N 3.24Å; L111-Q114 PolarHBondContact O-N 3.38Å; Q114-H117 PolarHBondContact O-N 2.89Å; Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.34Å; Q114-L312 HydrophobicContact CB-CD1 3.92Å
115E94.5Very high94.7Very high31 Ų3183.7 Ų83.715%0.14540%0.395CS..Hα-helixtrans-61.6-45.8173.5-75.3-172.7-130.800112.3L111 H117 L118 H119 I309 K313L111-E115 HydrophobicContact CD1-CG 4.21Å; L111-E115 HydrophobicContact CG-CG 4.45Å; L111-E115 WeakPolarHBondContact CG-OE1 3.36Å; L111-E115 WeakPolarHBondContact O-CG 3.38Å; L111-E115 PolarHBondContact O-N 3.5Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 3.41Å; E115-L118 PolarHBondContact O-N 2.83Å; E115-H119 WeakPolarHBondContact O-CB 3.4Å; E115-H119 PolarHBondContact O-CD2 3.05Å; E115-H119 PolarHBondContact O-N 3.29Å; E115-I309 HydrophobicContact CG-CG2 4.17Å; E115-K313 WeakPolarHBondContact OE1-CE 3.44Å; E115-K313 IonicContact OE1-NZ 2.86Å; E115-K313 PolarHBondContact OE1-NZ 3.5Å; E115-K313 WeakPolarHBondContact OE2-CE 3.48Å; E115-K313 IonicContact OE2-NZ 3.24Å; E115-K313 PolarHBondContact OE2-NZ 2.93Å
116Q95.2Very high94.8Very high101 Ų10177.4 Ų77.447%0.47237%0.366SS..Hα-helixtrans-61.9-39.8176.5-77.1-178-16.600112.3Q112 Q113 T120Q112-Q116 WeakPolarHBondContact O-CB 3.33Å; Q112-Q116 WeakPolarHBondContact O-CG 3.47Å; Q112-Q116 PolarHBondContact O-N 3.33Å; Q113-Q116 VanDerWaalsContact NE2-OE1 3.16Å; Q113-Q116 PolarHBondContact O-N 3.47Å; Q116-T120 WeakPolarHBondContact O-CB 3.49Å; Q116-T120 PolarHBondContact O-N 3.37Å; Q116-T120 PolarHBondContact O-OG1 3.24Å
117H95.2Very high95Very high125 Ų12575 Ų7558%0.57936%0.359SS*.Hα-helixtrans-63.9-47.8174.3-178.266.7000112Q113 Q114 E115 H119 T120 L121Q113-H117 WeakPolarHBondContact O-CB 3.38Å; Q113-H117 PolarHBondContact O-N 3.42Å; Q114-H117 PolarHBondContact O-N 2.89Å; E115-H117 VanDerWaalsContact C-N 3.33Å; E115-H117 PolarHBondContact O-N 3.41Å; H117-H119 PolarHBondContact O-N 2.87Å; H117-T120 WeakPolarHBondContact O-CB 3.3Å; H117-T120 PolarHBondContact O-N 3.26Å; H117-T120 VanDerWaalsContact O-N 3.15Å; H117-L121 PolarHBondContact O-N 3.17Å
118L96.3Very high95.1Very high12 Ų1276.3 Ų76.36%0.06337%0.371CS..Hα-helixtrans-64.4-37.5177.3-70-177.9000112.8Q114 E115 T120 L121 R122 F305 Q308 I309 L312Q114-L118 WeakPolarHBondContact O-CG 3.41Å; Q114-L118 PolarHBondContact O-N 3.34Å; E115-L118 PolarHBondContact O-N 2.83Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 2.98Å; L118-L121 PolarHBondContact O-N 3.48Å; L118-R122 WeakPolarHBondContact O-CB 3.5Å; L118-R122 PolarHBondContact O-N 3.43Å; L118-F305 HydrophobicContact CB-CD1 4.29Å; L118-F305 HydrophobicContact CD2-CD1 4.2Å; L118-F305 HydrophobicContact CD2-CE1 4.04Å; L118-Q308 HydrophobicContact CD1-CB 4.32Å; L118-Q308 HydrophobicContact CD1-CG 3.78Å; L118-I309 HydrophobicContact CB-CD1 4.21Å; L118-I309 HydrophobicContact CB-CG1 4.04Å; L118-I309 HydrophobicContact CD1-CG1 3.8Å; L118-L312 HydrophobicContact CD1-CD1 3.61Å
119H95.7Very high95.3Very high84 Ų8472.4 Ų72.439%0.38936%0.357SS..Hα-helixtrans-63.1-36.7173.1-80.1-56.1000112.5E115 H117 Q123E115-H119 WeakPolarHBondContact O-CB 3.4Å; E115-H119 PolarHBondContact O-CD2 3.05Å; E115-H119 PolarHBondContact O-N 3.29Å; H117-H119 PolarHBondContact O-N 2.87Å; H119-Q123 PolarHBondContact O-N 3.29Å; H119-Q123 VanDerWaalsContact O-N 3.16Å
120T96.6Very high95.4Very high94 Ų9465.9 Ų65.958%0.57733%0.333SS*.Hα-helixtrans-67.7-51.2175.7-54.70000110.8Q116 H117 L118 R122 Q123 E124Q116-T120 WeakPolarHBondContact O-CB 3.49Å; Q116-T120 PolarHBondContact O-N 3.37Å; Q116-T120 PolarHBondContact O-OG1 3.24Å; H117-T120 WeakPolarHBondContact O-CB 3.3Å; H117-T120 PolarHBondContact O-N 3.26Å; H117-T120 VanDerWaalsContact O-N 3.15Å; L118-T120 VanDerWaalsContact C-N 3.3Å; L118-T120 PolarHBondContact O-N 2.98Å; T120-R122 VanDerWaalsContact C-N 3.34Å; T120-R122 PolarHBondContact O-N 3.49Å; T120-Q123 WeakPolarHBondContact O-CB 3.49Å; T120-Q123 PolarHBondContact O-N 3.37Å; T120-E124 PolarHBondContact O-N 3.26Å
121L96.3Very high95.4Very high56 Ų5666.3 Ų66.329%0.29334%0.338SS..Hα-helixtrans-63.7-36.8179.4-172.863.7000112.4H117 L118 Q123 E124 Q125 F305H117-L121 PolarHBondContact O-N 3.17Å; L118-L121 PolarHBondContact O-N 3.48Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.38Å; L121-E124 PolarHBondContact O-N 3.05Å; L121-Q125 WeakPolarHBondContact O-CG 3.32Å; L121-Q125 PolarHBondContact O-N 2.95Å; L121-F305 HydrophobicContact CB-CE1 4.17Å; L121-F305 HydrophobicContact CB-CZ 4.25Å; L121-F305 HydrophobicContact CD2-CE1 4.06Å; L121-F305 HydrophobicContact CD2-CZ 4.05Å; L121-F305 HydrophobicContact CG-CE1 4.13Å; L121-F305 HydrophobicContact CG-CZ 3.86Å
122R96.6Very high95.3Very high71 Ų7170.2 Ų70.227%0.26836%0.359SS..Hα-helixtrans-57.7-45.7170.1-174.5-151.773.2165.35.7111.1L118 T120 Q125 V126 F305L118-R122 WeakPolarHBondContact O-CB 3.5Å; L118-R122 PolarHBondContact O-N 3.43Å; T120-R122 VanDerWaalsContact C-N 3.34Å; T120-R122 PolarHBondContact O-N 3.49Å; R122-Q125 PolarHBondContact O-N 3.06Å; R122-V126 HydrophobicContact CG-CG2 4.49Å; R122-V126 WeakPolarHBondContact O-CB 3.34Å; R122-V126 VanDerWaalsContact O-CG2 3.24Å; R122-V126 WeakPolarHBondContact O-CG2 3.46Å; R122-V126 PolarHBondContact O-N 2.96Å; R122-F305 HydrophobicContact CB-CB 4.04Å; R122-F305 HydrophobicContact CB-CD1 4.02Å; R122-F305 HydrophobicContact CB-CD2 3.66Å; R122-F305 HydrophobicContact CB-CE1 4.41Å; R122-F305 HydrophobicContact CB-CE2 4.09Å; R122-F305 HydrophobicContact CB-CG 3.63Å; R122-F305 HydrophobicContact CB-CZ 4.45Å; R122-F305 HydrophobicContact CG-CB 3.84Å; R122-F305 HydrophobicContact CG-CD2 3.65Å; R122-F305 HydrophobicContact CG-CE2 4.41Å; R122-F305 HydrophobicContact CG-CG 3.81Å
123Q95.3Very high95.3Very high65 Ų6565.7 Ų65.730%0.30434%0.34SS..Hα-helixtrans-67.2-38.2-178.5-165.562.229.800111.9H119 T120 L121 T127H119-Q123 PolarHBondContact O-N 3.29Å; H119-Q123 VanDerWaalsContact O-N 3.16Å; T120-Q123 WeakPolarHBondContact O-CB 3.49Å; T120-Q123 PolarHBondContact O-N 3.37Å; L121-Q123 VanDerWaalsContact C-N 3.33Å; L121-Q123 PolarHBondContact O-N 3.38Å; Q123-T127 WeakPolarHBondContact O-CB 3.39Å; Q123-T127 PolarHBondContact O-N 3.34Å; Q123-T127 PolarHBondContact O-OG1 3.08Å
124E95.5Very high95.3Very high129 Ų12963 Ų6360%0.60333%0.327SS*.Hα-helixtrans-63.7-50.8173.7-172.4174-165.400111.4T120 L121 V126 T127 A128T120-E124 PolarHBondContact O-N 3.26Å; L121-E124 PolarHBondContact O-N 3.05Å; E124-V126 PolarHBondContact O-N 3.23Å; E124-T127 PolarHBondContact O-N 2.95Å; E124-A128 WeakPolarHBondContact O-CB 3.32Å; E124-A128 PolarHBondContact O-N 3.08Å
125Q96.6Very high95.3Very high88 Ų8863 Ų6341%0.41133%0.327SS..Hα-helixtrans-61.5-40.9177.8-73.3-166.21700113L121 R122 A128 A129 I301 F305L121-Q125 WeakPolarHBondContact O-CG 3.32Å; L121-Q125 PolarHBondContact O-N 2.95Å; R122-Q125 PolarHBondContact O-N 3.06Å; Q125-A128 PolarHBondContact O-N 3.13Å; Q125-A129 VanDerWaalsContact O-CB 3.29Å; Q125-A129 WeakPolarHBondContact O-CB 3.39Å; Q125-A129 PolarHBondContact O-N 3.19Å; Q125-I301 HydrophobicContact CB-CG2 3.92Å; Q125-F305 HydrophobicContact CB-CE2 4.35Å; Q125-F305 HydrophobicContact CG-CE2 4.33Å; Q125-F305 HydrophobicContact CG-CZ 4.47Å
126V96.8Very high95.3Very high1 Ų167.6 Ų67.61%0.00635%0.349CS..Hα-helixtrans-62.2-43.3175165.80000110.9R122 E124 A129 I130 I291 V298 I301 Q302R122-V126 HydrophobicContact CG-CG2 4.49Å; R122-V126 WeakPolarHBondContact O-CB 3.34Å; R122-V126 VanDerWaalsContact O-CG2 3.24Å; R122-V126 WeakPolarHBondContact O-CG2 3.46Å; R122-V126 PolarHBondContact O-N 2.96Å; E124-V126 PolarHBondContact O-N 3.23Å; V126-A129 PolarHBondContact O-N 3.45Å; V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 WeakPolarHBondContact O-CB 3.3Å; V126-I130 WeakPolarHBondContact O-CD1 3.42Å; V126-I130 VanDerWaalsContact O-CG1 3.23Å; V126-I130 WeakPolarHBondContact O-CG1 3.36Å; V126-I130 PolarHBondContact O-N 3Å; V126-I291 HydrophobicContact CG1-CD1 4.45Å; V126-I291 HydrophobicContact CG1-CG1 4.1Å; V126-V298 HydrophobicContact CG1-CG1 3.81Å; V126-V298 HydrophobicContact CG1-CG2 4.14Å; V126-V298 HydrophobicContact CG2-CG1 4.05Å; V126-I301 HydrophobicContact CG2-CB 4.34Å; V126-I301 HydrophobicContact CG2-CG2 3.9Å; V126-Q302 HydrophobicContact CG2-CG 4.26Å
127T94.7Very high95.2Very high68 Ų6865.8 Ų65.842%0.41734%0.34SS..Hα-helixtrans-66.3-40.3178.3-54.40000111.8Q123 E124 T131Q123-T127 WeakPolarHBondContact O-CB 3.39Å; Q123-T127 PolarHBondContact O-N 3.34Å; Q123-T127 PolarHBondContact O-OG1 3.08Å; E124-T127 PolarHBondContact O-N 2.95Å; T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 3.1Å; T127-T131 PolarHBondContact O-OG1 2.73Å
128A95.4Very high95.1Very high49 Ų4960.9 Ų60.941%0.40532%0.318SS..Hα-helixtrans-66-45.4176.100000111.9E124 Q125 T131 L132E124-A128 WeakPolarHBondContact O-CB 3.32Å; E124-A128 PolarHBondContact O-N 3.08Å; Q125-A128 PolarHBondContact O-N 3.13Å; A128-T131 PolarHBondContact O-N 3.27Å; A128-L132 WeakPolarHBondContact O-CG 3.35Å; A128-L132 PolarHBondContact O-N 3.2Å
129A96.5Very high95Very high21 Ų2165.3 Ų65.317%0.17434%0.338CS..Hα-helixtrans-63.3-42.1178.200000112.5Q125 V126 L132 A133 I301Q125-A129 VanDerWaalsContact O-CB 3.29Å; Q125-A129 WeakPolarHBondContact O-CB 3.39Å; Q125-A129 PolarHBondContact O-N 3.19Å; V126-A129 PolarHBondContact O-N 3.45Å; A129-L132 PolarHBondContact O-N 3.32Å; A129-A133 WeakPolarHBondContact O-CB 3.33Å; A129-A133 PolarHBondContact O-N 2.91Å; A129-I301 HydrophobicContact CB-CD1 3.46Å; A129-I301 VanDerWaalsContact CB-CD1 3.46Å
130I96.1Very high94.9Very high12 Ų1267.3 Ų67.36%0.06235%0.346CS..Hα-helixtrans-59.9-47.1171.8-71.9167.9000110.3V126 L132 A133 M134 L290 I291 Y294 V298V126-I130 HydrophobicContact CG1-CD1 3.79Å; V126-I130 WeakPolarHBondContact O-CB 3.3Å; V126-I130 WeakPolarHBondContact O-CD1 3.42Å; V126-I130 VanDerWaalsContact O-CG1 3.23Å; V126-I130 WeakPolarHBondContact O-CG1 3.36Å; V126-I130 PolarHBondContact O-N 3Å; I130-L132 PolarHBondContact O-N 3.41Å; I130-A133 PolarHBondContact O-N 3.27Å; I130-M134 HydrophobicContact CG2-CG 4.29Å; I130-M134 HydrophobicContact CG2-SD 3.64Å; I130-M134 WeakPolarHBondContact O-CB 3.27Å; I130-M134 VanDerWaalsContact O-CG 3.25Å; I130-M134 WeakPolarHBondContact O-CG 3.44Å; I130-M134 PolarHBondContact O-N 2.71Å; I130-L290 HydrophobicContact CD1-CB 4.38Å; I130-L290 HydrophobicContact CG2-CB 4.03Å; I130-L290 HydrophobicContact CG2-CD1 4.07Å; I130-L290 HydrophobicContact CG2-CD2 4.38Å; I130-L290 HydrophobicContact CG2-CG 4.41Å; I130-I291 HydrophobicContact CD1-CG1 3.76Å; I130-Y294 HydrophobicContact CG2-CD2 4.21Å; I130-V298 HydrophobicContact CD1-CG2 3.87Å; I130-V298 HydrophobicContact CG1-CG2 3.61Å
131T93.4Very high94.8Very high80 Ų8063.3 Ų63.349%0.49132%0.321SS..Hα-helixtrans-60.6-43.6-179.6-58.80000112T127 A128 M134 E135T127-T131 WeakPolarHBondContact O-CB 3.41Å; T127-T131 PolarHBondContact O-N 3.1Å; T127-T131 PolarHBondContact O-OG1 2.73Å; A128-T131 PolarHBondContact O-N 3.27Å; T131-M134 PolarHBondContact O-N 3.12Å; T131-E135 PolarHBondContact O-N 3.37Å
132L94.5Very high94.7Very high104 Ų10463.9 Ų63.955%0.54532%0.324SS..Hα-helixtrans-65.2-41.5176.1-70.9169.2000112.1A128 A129 I130 E135 Q136A128-L132 WeakPolarHBondContact O-CG 3.35Å; A128-L132 PolarHBondContact O-N 3.2Å; A129-L132 PolarHBondContact O-N 3.32Å; I130-L132 PolarHBondContact O-N 3.41Å; L132-E135 PolarHBondContact O-N 2.91Å; L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.26Å
133A95.4Very high94.6Very high13 Ų1365.7 Ų65.711%0.10734%0.343CS..Hα-helixtrans-66.5-39.4176.600000112.3A129 I130 E135 Q136 Q137 Y294 V297A129-A133 WeakPolarHBondContact O-CB 3.33Å; A129-A133 PolarHBondContact O-N 2.91Å; I130-A133 PolarHBondContact O-N 3.27Å; A133-E135 VanDerWaalsContact C-N 3.33Å; A133-E135 PolarHBondContact O-N 3.3Å; A133-Q136 PolarHBondContact O-N 3.43Å; A133-Q137 PolarHBondContact O-N 3.46Å; A133-Y294 HydrophobicContact CB-CD1 3.42Å; A133-Y294 VanDerWaalsContact CB-CD1 3.42Å; A133-Y294 HydrophobicContact CB-CE1 3.76Å; A133-Y294 HydrophobicContact CB-CG 4.3Å; A133-V297 HydrophobicContact CB-CG2 4.22Å
134M92.6Very high94.5Very high23 Ų2366.8 Ų66.811%0.11335%0.348CS..Hα-helixtrans-62.5-37.8171.9-70.9170.47300112.1I130 T131 I138 R193 L290 Y294I130-M134 HydrophobicContact CG2-CG 4.29Å; I130-M134 HydrophobicContact CG2-SD 3.64Å; I130-M134 WeakPolarHBondContact O-CB 3.27Å; I130-M134 VanDerWaalsContact O-CG 3.25Å; I130-M134 WeakPolarHBondContact O-CG 3.44Å; I130-M134 PolarHBondContact O-N 2.71Å; T131-M134 PolarHBondContact O-N 3.12Å; M134-I138 WeakPolarHBondContact O-CG1 3.48Å; M134-I138 PolarHBondContact O-N 2.82Å; M134-R193 VanDerWaalsContact CE-CZ 3.43Å; M134-L290 HydrophobicContact CE-CD2 4.16Å; M134-L290 HydrophobicContact CG-CD2 4.49Å; M134-L290 HydrophobicContact SD-CD1 4.08Å; M134-L290 HydrophobicContact SD-CD2 3.77Å; M134-Y294 HydrophobicContact CG-CD2 4.49Å; M134-Y294 HydrophobicContact CG-CE1 4.27Å; M134-Y294 HydrophobicContact CG-CE2 3.7Å; M134-Y294 WeakPolarHBondContact CG-OH 3.48Å
135E92.4Very high94.5Very high96 Ų9661.3 Ų61.345%0.44932%0.323SS..Hα-helixtrans-67.5-45.2174.3-164-173.2155.700111.4T131 L132 A133 Q137 I138 Q139T131-E135 PolarHBondContact O-N 3.37Å; L132-E135 PolarHBondContact O-N 2.91Å; A133-E135 VanDerWaalsContact C-N 3.33Å; A133-E135 PolarHBondContact O-N 3.3Å; E135-Q137 VanDerWaalsContact C-N 3.3Å; E135-Q137 PolarHBondContact O-N 2.73Å; E135-I138 PolarHBondContact O-N 3.41Å; E135-Q139 HydrophobicContact CG-CG 4.41Å; E135-Q139 WeakPolarHBondContact O-CG 3.49Å; E135-Q139 PolarHBondContact O-N 3.39Å; E135-Q139 PolarHBondContact OE1-NE2 2.98Å
136Q94.4Very high94.3Very high128 Ų12865.4 Ų65.460%0.59834%0.342SS*.Hα-helixtrans-58.6-39.6176.2-71.9171.28.600112.2L132 A133 Q139 K140L132-Q136 VanDerWaalsContact O-CG 3.31Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.26Å; A133-Q136 PolarHBondContact O-N 3.43Å; Q136-Q139 PolarHBondContact O-N 3.48Å; Q136-K140 WeakPolarHBondContact O-CB 3.19Å; Q136-K140 PolarHBondContact O-N 2.86Å
137Q93.8Very high94.1Very high62 Ų6266 Ų6629%0.2935%0.345SS..Hα-helixtrans-62.5-40.9173.2178.8164.3-2500112.2A133 E135 K140 L141 E186 Y294A133-Q137 PolarHBondContact O-N 3.46Å; E135-Q137 VanDerWaalsContact C-N 3.3Å; E135-Q137 PolarHBondContact O-N 2.73Å; Q137-K140 PolarHBondContact O-N 3.4Å; Q137-L141 HydrophobicContact CG-CD1 4.24Å; Q137-L141 WeakPolarHBondContact O-CB 3.49Å; Q137-L141 VanDerWaalsContact O-CG 3.3Å; Q137-L141 WeakPolarHBondContact O-CG 3.45Å; Q137-L141 PolarHBondContact O-N 3.48Å; Q137-E186 PolarHBondContact NE2-OE1 3.39Å; Q137-Y294 PolarHBondContact OE1-OH 2.8Å; Q137-Y294 VanDerWaalsContact OE1-OH 3.07Å
138I92.4Very high93.9Very high22 Ų2267 Ų6711%0.11335%0.348CS..Hα-helixtrans-67.7-43.7176.2-69.6168.4000111.4M134 E135 K140 L141 L142 L187 N194M134-I138 WeakPolarHBondContact O-CG1 3.48Å; M134-I138 PolarHBondContact O-N 2.82Å; E135-I138 PolarHBondContact O-N 3.41Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 2.96Å; I138-L141 PolarHBondContact O-N 2.92Å; I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.45Å; I138-L187 HydrophobicContact CG2-CD1 3.97Å; I138-N194 VanDerWaalsContact CD1-ND2 3.26Å; I138-N194 WeakPolarHBondContact CD1-ND2 3.42Å
139Q93.8Very high93.7Very high106 Ų10665.8 Ų65.850%0.49533%0.334SS..Hα-helixtrans-60.8-42.8176.1-68.6179.912.400111.1E135 Q136 L142 V143E135-Q139 HydrophobicContact CG-CG 4.41Å; E135-Q139 WeakPolarHBondContact O-CG 3.49Å; E135-Q139 PolarHBondContact O-N 3.39Å; E135-Q139 PolarHBondContact OE1-NE2 2.98Å; Q136-Q139 PolarHBondContact O-N 3.48Å; Q139-L142 PolarHBondContact O-N 3.45Å; Q139-V143 WeakPolarHBondContact O-CG2 2.96Å; Q139-V143 PolarHBondContact O-N 2.92Å; Q139-V143 VanDerWaalsContact O-N 3.14Å
140K94.5Very high93.6Very high125 Ų12568.4 Ų68.454%0.54335%0.349SS..Hα-helixtrans-59.1-50.7172.7178.1-179.3173.8-178.30111.9Q136 Q137 I138 L142 V143 E144Q136-K140 WeakPolarHBondContact O-CB 3.19Å; Q136-K140 PolarHBondContact O-N 2.86Å; Q137-K140 PolarHBondContact O-N 3.4Å; I138-K140 VanDerWaalsContact C-N 3.33Å; I138-K140 PolarHBondContact O-N 2.96Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 2.85Å; K140-V143 PolarHBondContact O-N 3.15Å; K140-E144 WeakPolarHBondContact CE-OE1 3.38Å; K140-E144 HydrophobicContact CG-CG 4.37Å; K140-E144 IonicContact NZ-OE1 3.71Å; K140-E144 WeakPolarHBondContact O-CG 3.4Å; K140-E144 PolarHBondContact O-N 3.45Å
141L94.1Very high93.6Very high10 Ų1072.5 Ų72.55%0.05237%0.368CS..Hα-helixtrans-60.4-35.4178.2-74.7169.7000112.4Q137 I138 T145 Q183 E186 L187Q137-L141 HydrophobicContact CG-CD1 4.24Å; Q137-L141 WeakPolarHBondContact O-CB 3.49Å; Q137-L141 VanDerWaalsContact O-CG 3.3Å; Q137-L141 WeakPolarHBondContact O-CG 3.45Å; Q137-L141 PolarHBondContact O-N 3.48Å; I138-L141 PolarHBondContact O-N 2.92Å; L141-T145 WeakPolarHBondContact O-CB 3.48Å; L141-T145 VanDerWaalsContact O-CG2 3.25Å; L141-T145 WeakPolarHBondContact O-CG2 3.47Å; L141-T145 PolarHBondContact O-N 3.36Å; L141-T145 PolarHBondContact O-OG1 2.91Å; L141-Q183 HydrophobicContact CD2-CB 3.76Å; L141-Q183 HydrophobicContact CD2-CG 3.92Å; L141-E186 HydrophobicContact CD1-CB 4.36Å; L141-E186 HydrophobicContact CD1-CG 4.03Å; L141-L187 HydrophobicContact CB-CB 4.27Å; L141-L187 HydrophobicContact CB-CD1 4.19Å
142L93.8Very high93.7Very high69 Ų6968.7 Ų68.736%0.36134%0.344SS..Hα-helixtrans-65.3-42.4176.4-166.9156.5000111.3I138 Q139 K140 Q146 I149 L187I138-L142 WeakPolarHBondContact O-CB 3.36Å; I138-L142 PolarHBondContact O-N 3.45Å; Q139-L142 PolarHBondContact O-N 3.45Å; K140-L142 VanDerWaalsContact C-N 3.27Å; K140-L142 PolarHBondContact O-N 2.85Å; L142-Q146 WeakPolarHBondContact O-CA 2.78Å; L142-Q146 PolarHBondContact O-N 3.33Å; L142-I149 HydrophobicContact CD1-CB 4.4Å; L142-I149 HydrophobicContact CD1-CG2 3.97Å; L142-L187 HydrophobicContact CB-CD1 4.44Å; L142-L187 HydrophobicContact CB-CD2 4.42Å
143V94.6Very high93.7Very high108 Ų10865.9 Ų65.966%0.65533%0.329SS*.Hα-helixtrans-67.5-43.8175.1174.80000112Q139 K140 Q146Q139-V143 WeakPolarHBondContact O-CG2 2.96Å; Q139-V143 PolarHBondContact O-N 2.92Å; Q139-V143 VanDerWaalsContact O-N 3.14Å; K140-V143 PolarHBondContact O-N 3.15Å; V143-Q146 WeakPolarHBondContact O-CG 3.49Å
144E94Very high93.7Very high88 Ų8870.9 Ų70.941%0.41135%0.354SS..Hα-helixtrans-69.8-38.7-177.9-72.6-179.5171.900112.9K140 Q183K140-E144 WeakPolarHBondContact CE-OE1 3.38Å; K140-E144 HydrophobicContact CG-CG 4.37Å; K140-E144 IonicContact NZ-OE1 3.71Å; K140-E144 WeakPolarHBondContact O-CG 3.4Å; K140-E144 PolarHBondContact O-N 3.45Å; E144-Q183 PolarHBondContact OE2-NE2 3.19Å
145T93.8Very high93.9Very high14 Ų1472.1 Ų72.19%0.08636%0.361CS..Hα-helixtrans-85.2-20.6-179.761.60000114L141 L147 Q183 H184 L187L141-T145 WeakPolarHBondContact O-CB 3.48Å; L141-T145 VanDerWaalsContact O-CG2 3.25Å; L141-T145 WeakPolarHBondContact O-CG2 3.47Å; L141-T145 PolarHBondContact O-N 3.36Å; L141-T145 PolarHBondContact O-OG1 2.91Å; T145-L147 PolarHBondContact O-N 3.11Å; T145-L147 VanDerWaalsContact O-N 3.13Å; T145-Q183 HydrophobicContact CG2-CB 3.75Å; T145-H184 HydrophobicContact CG2-CB 4.5Å; T145-L187 VanDerWaalsContact OG1-CD2 3.28Å; T145-L187 WeakPolarHBondContact OG1-CD2 3.29Å
146Q93.1Very high94.1Very high175 Ų17567.6 Ų67.682%0.81834%0.34SS*.  trans52.527.7-172.7-54.9-178.214.700113.4L142 V143L142-Q146 WeakPolarHBondContact O-CA 2.78Å; L142-Q146 PolarHBondContact O-N 3.33Å; V143-Q146 WeakPolarHBondContact O-CG 3.49Å
147L92.8Very high94.1Very high12 Ų1265.2 Ų65.26%0.06333%0.329CS..  trans-79.2126.7-179.5-177.9148.8000110.1T145 I149 W174 N178 L187 M188T145-L147 PolarHBondContact O-N 3.11Å; T145-L147 VanDerWaalsContact O-N 3.13Å; L147-I149 HydrophobicContact CD2-CB 4.39Å; L147-I149 HydrophobicContact CD2-CD1 3.89Å; L147-I149 PolarHBondContact O-N 3.18Å; L147-W174 HydrophobicContact CD1-CH2 3.96Å; L147-W174 HydrophobicContact CD1-CZ2 4.41Å; L147-W174 HydrophobicContact CD2-CH2 3.79Å; L147-W174 HydrophobicContact CD2-CZ2 4.17Å; L147-W174 HydrophobicContact CG-CH2 4.22Å; L147-W174 HydrophobicContact CG-CZ2 4.39Å; L147-N178 HydrophobicContact CD1-CB 4.03Å; L147-L187 HydrophobicContact CB-CD2 4.05Å; L147-L187 HydrophobicContact CD2-CD2 4.23Å; L147-M188 HydrophobicContact CD1-CG 4.22Å; L147-M188 HydrophobicContact CD1-SD 4.41Å
148D89.8Confident94.3Very high89 Ų8965 Ų6548%0.47633%0.333SS..  trans-74.694.8174.1-173.5-8.2000110.3T150 E151D148-T150 PolarHBondContact O-N 3.01Å; D148-T150 WeakPolarHBondContact OD1-CA 3.43Å; D148-T150 VanDerWaalsContact OD1-CB 3.25Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 2.86Å; D148-T150 PolarHBondContact OD1-OG1 3.2Å; D148-T150 PolarHBondContact OD2-OG1 2.95Å; D148-E151 WeakPolarHBondContact O-CB 3.45Å; D148-E151 PolarHBondContact O-N 3.4Å; D148-E151 VanDerWaalsContact O-N 3.17Å; D148-E151 PolarHBondContact OD1-N 3.35Å
149I92.8Very high94.5Very high24 Ų2464 Ų6412%0.12333%0.328CS..Hα-helixtrans-65.4-18.2178.3-155.266.7000112.5L142 L147 F152 D153 H191L142-I149 HydrophobicContact CD1-CB 4.4Å; L142-I149 HydrophobicContact CD1-CG2 3.97Å; L147-I149 HydrophobicContact CD2-CB 4.39Å; L147-I149 HydrophobicContact CD2-CD1 3.89Å; L147-I149 PolarHBondContact O-N 3.18Å; I149-F152 HydrophobicContact CD1-CB 4.32Å; I149-F152 HydrophobicContact CD1-CD1 3.97Å; I149-F152 WeakPolarHBondContact O-CB 3.34Å; I149-F152 PolarHBondContact O-N 3.37Å; I149-D153 PolarHBondContact O-N 3.21Å; I149-H191 HydrophobicContact CD1-CB 3.94Å; I149-H191 HydrophobicContact CG1-CB 4.47Å
150T93.9Very high94.6Very high77 Ų7759.4 Ų59.447%0.47231%0.307SS..Hα-helixtrans-73.8-30.117680.80000111.6D148 F152 D153 N154D148-T150 PolarHBondContact O-N 3.01Å; D148-T150 WeakPolarHBondContact OD1-CA 3.43Å; D148-T150 VanDerWaalsContact OD1-CB 3.25Å; D148-T150 WeakPolarHBondContact OD1-CB 3.31Å; D148-T150 PolarHBondContact OD1-N 2.86Å; D148-T150 PolarHBondContact OD1-OG1 3.2Å; D148-T150 PolarHBondContact OD2-OG1 2.95Å; T150-F152 VanDerWaalsContact C-N 3.27Å; T150-F152 PolarHBondContact O-N 2.98Å; T150-D153 PolarHBondContact O-N 2.98Å; T150-N154 WeakPolarHBondContact O-CB 3.36Å; T150-N154 PolarHBondContact O-N 3.01Å; T150-N154 PolarHBondContact O-ND2 3.41Å
151E95Very high94.6Very high98 Ų9858.5 Ų58.546%0.45831%0.308SS..Hα-helixtrans-61-41.7169-164.2-168.4-176.900110.1D148 N154 L155 W174D148-E151 WeakPolarHBondContact O-CB 3.45Å; D148-E151 PolarHBondContact O-N 3.4Å; D148-E151 VanDerWaalsContact O-N 3.17Å; D148-E151 PolarHBondContact OD1-N 3.35Å; E151-N154 PolarHBondContact O-N 2.69Å; E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 3.5Å; E151-W174 PolarHBondContact OE2-NE1 3.37Å
152F95.4Very high94.6Very high0 Ų061.8 Ų61.80%033%0.328CS..Hα-helixtrans-65.4-47.8177.1-166.2-147.9000111.9I149 T150 N154 L155 L156 W174 M175 M188 H191 L192I149-F152 HydrophobicContact CD1-CB 4.32Å; I149-F152 HydrophobicContact CD1-CD1 3.97Å; I149-F152 WeakPolarHBondContact O-CB 3.34Å; I149-F152 PolarHBondContact O-N 3.37Å; T150-F152 VanDerWaalsContact C-N 3.27Å; T150-F152 PolarHBondContact O-N 2.98Å; F152-N154 VanDerWaalsContact C-N 3.27Å; F152-N154 PolarHBondContact O-N 3.2Å; F152-L155 CarbonylContact O-C 3.28Å; F152-L155 WeakPolarHBondContact O-CA 3.31Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 2.87Å; F152-L156 HydrophobicContact CD1-CD1 4.26Å; F152-L156 HydrophobicContact CD2-CD2 4.14Å; F152-L156 HydrophobicContact CD2-CG 4.15Å; F152-L156 HydrophobicContact CE1-CD1 4.12Å; F152-L156 HydrophobicContact CE2-CD2 3.65Å; F152-L156 HydrophobicContact CE2-CG 4.11Å; F152-L156 HydrophobicContact CG-CG 4.39Å; F152-L156 HydrophobicContact CZ-CD1 4.27Å; F152-L156 HydrophobicContact CZ-CD2 3.88Å; F152-L156 HydrophobicContact CZ-CG 4.31Å; F152-L156 WeakPolarHBondContact O-CG 3.36Å; F152-L156 PolarHBondContact O-N 2.94Å; F152-W174 HydrophobicContact CB-CE3 4.36Å; F152-W174 HydrophobicContact CB-CH2 3.55Å; F152-W174 HydrophobicContact CB-CZ2 3.96Å; F152-W174 HydrophobicContact CB-CZ3 3.74Å; F152-W174 HydrophobicContact CD1-CH2 4.39Å; F152-W174 HydrophobicContact CD1-CZ3 4.04Å; F152-W174 HydrophobicContact CD2-CD2 4.21Å; F152-W174 AromaticContact CD2-CE3 3.37Å; F152-W174 HydrophobicContact CD2-CE3 3.37Å; F152-W174 HydrophobicContact CD2-CH2 4.02Å; F152-W174 AromaticContact CD2-CZ3 3.26Å; F152-W174 HydrophobicContact CD2-CZ3 3.26Å; F152-W174 HydrophobicContact CE1-CZ3 4.46Å; F152-W174 AromaticContact CE2-CE3 3.8Å; F152-W174 HydrophobicContact CE2-CE3 3.8Å; F152-W174 AromaticContact CE2-CZ3 3.76Å; F152-W174 HydrophobicContact CE2-CZ3 3.76Å; F152-W174 HydrophobicContact CG-CE3 4Å; F152-W174 AromaticContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CH2 3.76Å; F152-W174 AromaticContact CG-CZ3 3.42Å; F152-W174 HydrophobicContact CG-CZ3 3.42Å; F152-W174 VanDerWaalsContact CG-CZ3 3.42Å; F152-W174 HydrophobicContact CZ-CZ3 4.34Å; F152-M175 HydrophobicContact CE2-CG 3.76Å; F152-M175 HydrophobicContact CE2-SD 3.98Å; F152-M175 HydrophobicContact CZ-CE 4.49Å; F152-M175 HydrophobicContact CZ-CG 3.96Å; F152-M175 HydrophobicContact CZ-SD 3.79Å; F152-M188 HydrophobicContact CE1-CB 4.47Å; F152-H191 AromaticContact CD1-CD2 3.64Å; F152-H191 HydrophobicContact CE1-CB 4.49Å; F152-H191 AromaticContact CE1-CD2 3.99Å; F152-L192 HydrophobicContact CE1-CD2 4.2Å; F152-L192 HydrophobicContact CE1-CG 4.01Å; F152-L192 HydrophobicContact CZ-CD1 4.18Å; F152-L192 HydrophobicContact CZ-CD2 3.88Å; F152-L192 HydrophobicContact CZ-CG 3.88Å
153D95.5Very high94.7Very high44 Ų4459.9 Ų59.924%0.23532%0.32CS..Hα-helixtrans-58.8-37.5176.8-84.2-32.2000112.8I149 T150 L155 L156 Q157 H191 R195I149-D153 PolarHBondContact O-N 3.21Å; T150-D153 PolarHBondContact O-N 2.98Å; D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 3.33Å; D153-L156 PolarHBondContact O-N 3.28Å; D153-Q157 PolarHBondContact O-N 2.98Å; D153-H191 IonicContact OD1-CD2 3.9Å; D153-H191 IonicContact OD1-CE1 3.18Å; D153-H191 IonicContact OD1-NE2 2.98Å; D153-H191 PolarHBondContact OD1-NE2 3.24Å; D153-H191 IonicContact OD2-CE1 2.92Å; D153-H191 IonicContact OD2-NE2 2.65Å; D153-H191 PolarHBondContact OD2-NE2 2.78Å; D153-R195 VanDerWaalsContact CG-NH1 3.31Å; D153-R195 IonicContact OD1-CZ 3.5Å; D153-R195 IonicContact OD1-NH1 3.93Å; D153-R195 PolarHBondContact OD1-NH1 3.36Å; D153-R195 IonicContact OD2-NH1 2.74Å
154N95.9Very high94.8Very high118 Ų11857.9 Ų57.963%0.63131%0.309SS*.Hα-helixtrans-64.8-27.7173.5-78.4-60.7000113T150 E151 F152 P158T150-N154 WeakPolarHBondContact O-CB 3.36Å; T150-N154 PolarHBondContact O-N 3.01Å; T150-N154 PolarHBondContact O-ND2 3.41Å; E151-N154 PolarHBondContact O-N 2.69Å; F152-N154 VanDerWaalsContact C-N 3.27Å; F152-N154 PolarHBondContact O-N 3.2Å; N154-P158 WeakPolarHBondContact O-CD 3.39Å
155L95.7Very high94.9Very high50 Ų5062 Ų6226%0.26233%0.325SS..Hα-helixtrans-85.3-30.5172.9-68.4171.8000113.1E151 F152 D153 I159 W174E151-L155 WeakPolarHBondContact O-CG 3.27Å; E151-L155 PolarHBondContact O-N 3.5Å; F152-L155 CarbonylContact O-C 3.28Å; F152-L155 WeakPolarHBondContact O-CA 3.31Å; F152-L155 WeakPolarHBondContact O-CB 3.41Å; F152-L155 PolarHBondContact O-N 2.87Å; D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 3.33Å; L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L155-W174 HydrophobicContact CD1-CB 3.48Å; L155-W174 VanDerWaalsContact CD1-CB 3.48Å; L155-W174 VanDerWaalsContact CD1-CD1 3.42Å; L155-W174 HydrophobicContact CD1-CD2 4Å; L155-W174 HydrophobicContact CD1-CG 3.33Å
156L96.4Very high95Very high0 Ų067.3 Ų67.30%035%0.353CS..Hα-helixtrans-70.1-36.4175-65.6-170.9000111.8F152 D153 I159 I160 L192 L209 L212F152-L156 HydrophobicContact CD1-CD1 4.26Å; F152-L156 HydrophobicContact CD2-CD2 4.14Å; F152-L156 HydrophobicContact CD2-CG 4.15Å; F152-L156 HydrophobicContact CE1-CD1 4.12Å; F152-L156 HydrophobicContact CE2-CD2 3.65Å; F152-L156 HydrophobicContact CE2-CG 4.11Å; F152-L156 HydrophobicContact CG-CG 4.39Å; F152-L156 HydrophobicContact CZ-CD1 4.27Å; F152-L156 HydrophobicContact CZ-CD2 3.88Å; F152-L156 HydrophobicContact CZ-CG 4.31Å; F152-L156 WeakPolarHBondContact O-CG 3.36Å; F152-L156 PolarHBondContact O-N 2.94Å; D153-L156 PolarHBondContact O-N 3.28Å; L156-I159 HydrophobicContact CD2-CD1 4.34Å; L156-I159 WeakPolarHBondContact O-CA 3.4Å; L156-I159 WeakPolarHBondContact O-CB 3.38Å; L156-I159 PolarHBondContact O-N 3.32Å; L156-I160 HydrophobicContact CB-CD1 4.39Å; L156-I160 VanDerWaalsContact O-CG1 3.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 3.06Å; L156-L192 HydrophobicContact CD1-CD2 3.97Å; L156-L192 HydrophobicContact CD2-CD2 3.96Å; L156-L209 HydrophobicContact CB-CD2 4.37Å; L156-L209 HydrophobicContact CD1-CD2 4.42Å; L156-L209 HydrophobicContact CD2-CD2 3.88Å; L156-L209 HydrophobicContact CG-CD2 4.44Å; L156-L212 HydrophobicContact CD2-CD2 3.54Å
157Q95.8Very high95.1Very high79 Ų7959.6 Ų59.637%0.36932%0.319SS..Hα-helixtrans-58.7-46.7-175.6-170.761.142.300113.5D153 I159 I160 D161D153-Q157 PolarHBondContact O-N 2.98Å; Q157-I159 VanDerWaalsContact C-N 3.29Å; Q157-I159 PolarHBondContact O-N 3.23Å; Q157-I160 PolarHBondContact O-N 3.22Å; Q157-D161 PolarHBondContact NE2-OD1 3.25Å; Q157-D161 PolarHBondContact NE2-OD2 3.33Å; Q157-D161 WeakPolarHBondContact O-CB 3.46Å; Q157-D161 PolarHBondContact O-N 2.99Å
158P96.3Very high95.3Very high58 Ų5860 Ų6038%0.37732%0.322SS..Hα-helixtrans-61.2-30.5171.6-25.535.1000115N154 T162 A167N154-P158 WeakPolarHBondContact O-CD 3.39Å; P158-T162 WeakPolarHBondContact O-CB 3.44Å; P158-T162 PolarHBondContact O-N 3.44Å; P158-T162 PolarHBondContact O-OG1 2.84Å; P158-A167 HydrophobicContact CB-CB 4.26Å
159I97.4Very high95.6Very high0 Ų057.7 Ų57.70%031%0.312CS..Hα-helixtrans-69.4-45.4175.7-61.1171.7000109.5L155 L156 Q157 C163 A167 I168 H208 L209 L212L155-I159 WeakPolarHBondContact O-CG1 3.42Å; L156-I159 HydrophobicContact CD2-CD1 4.34Å; L156-I159 WeakPolarHBondContact O-CA 3.4Å; L156-I159 WeakPolarHBondContact O-CB 3.38Å; L156-I159 PolarHBondContact O-N 3.32Å; Q157-I159 VanDerWaalsContact C-N 3.29Å; Q157-I159 PolarHBondContact O-N 3.23Å; I159-C163 VanDerWaalsContact O-CA 3.25Å; I159-C163 WeakPolarHBondContact O-CA 3.47Å; I159-C163 PolarHBondContact O-N 2.83Å; I159-A167 WeakPolarHBondContact CD1-O 3.32Å; I159-A167 HydrophobicContact CG1-CB 3.72Å; I159-I168 HydrophobicContact CG2-CG1 4.14Å; I159-H208 HydrophobicContact CG2-CB 4.31Å; I159-H208 PolarHBondContact O-ND1 3.1Å; I159-L209 HydrophobicContact CG2-CD2 4.46Å; I159-L212 HydrophobicContact CD1-CD1 4.26Å; I159-L212 HydrophobicContact CD1-CD2 3.9Å; I159-L212 HydrophobicContact CD1-CG 4.49Å
160I95.9Very high95.8Very high9 Ų958.6 Ų58.65%0.04632%0.323CS..Hα-helixtrans-61.1-48.3176.6-65168.1000110.6L156 Q157 L205 H208 L209L156-I160 HydrophobicContact CB-CD1 4.39Å; L156-I160 VanDerWaalsContact O-CG1 3.32Å; L156-I160 WeakPolarHBondContact O-CG1 3.49Å; L156-I160 PolarHBondContact O-N 3.06Å; Q157-I160 PolarHBondContact O-N 3.22Å; I160-L205 HydrophobicContact CD1-CD1 4.09Å; I160-L205 HydrophobicContact CD1-CG 3.97Å; I160-L205 HydrophobicContact CG1-CG 3.99Å; I160-L205 HydrophobicContact CG2-CB 3.94Å; I160-L205 HydrophobicContact CG2-CD1 4.01Å; I160-L205 HydrophobicContact CG2-CG 3.85Å; I160-H208 PolarHBondContact O-ND1 3.01Å; I160-L209 HydrophobicContact CD1-CD1 4.33Å; I160-L209 HydrophobicContact CD1-CD2 4.4Å; I160-L209 HydrophobicContact CG1-CD1 4.43Å; I160-L209 HydrophobicContact CG1-CD2 3.97Å; I160-L209 HydrophobicContact CG1-CG 4.15Å
161D94.9Very high96Very high107 Ų10754.9 Ų54.957%0.57230%0.3SS*.Hα-helixtrans-75.8-28.4-174.3-70.4-31.4000114.4Q157Q157-D161 PolarHBondContact NE2-OD1 3.25Å; Q157-D161 PolarHBondContact NE2-OD2 3.33Å; Q157-D161 WeakPolarHBondContact O-CB 3.46Å; Q157-D161 PolarHBondContact O-N 2.99Å
162T93.1Very high96Very high78 Ų7851 Ų5148%0.47928%0.282SS..Hα-helixtrans-131.7-20.7-169.5760000115.9P158 T164P158-T162 WeakPolarHBondContact O-CB 3.44Å; P158-T162 PolarHBondContact O-N 3.44Å; P158-T162 PolarHBondContact O-OG1 2.84Å; T162-T164 PolarHBondContact O-N 3.34Å; T162-T164 PolarHBondContact OG1-N 3.28Å; T162-T164 PolarHBondContact OG1-OG1 3.26Å
163C95.9Very high96Very high29 Ų2954.5 Ų54.520%0.19630%0.3CS..  trans47.227.5-174.7-161.30000115.2I159 H208I159-C163 VanDerWaalsContact O-CA 3.25Å; I159-C163 WeakPolarHBondContact O-CA 3.47Å; I159-C163 PolarHBondContact O-N 2.83Å; C163-H208 HydrophobicContact CB-CB 4.27Å; C163-H208 VanDerWaalsContact CB-CD2 3.45Å; C163-H208 WeakPolarHBondContact CB-CD2 3.38Å; C163-H208 PolarHBondContact SG-CD2 3.46Å
164T96.8Very high96.1Very high67 Ų6753.2 Ų53.241%0.41129%0.292SS..  trans-68.2146.3-177.349.20000111.4T162 D166 A167 I168T162-T164 PolarHBondContact O-N 3.34Å; T162-T164 PolarHBondContact OG1-N 3.28Å; T162-T164 PolarHBondContact OG1-OG1 3.26Å; T164-D166 PolarHBondContact O-N 3Å; T164-A167 PolarHBondContact O-N 3.09Å; T164-A167 VanDerWaalsContact O-N 3.09Å; T164-A167 VanDerWaalsContact OG1-CB 3.27Å; T164-A167 WeakPolarHBondContact OG1-CB 3.28Å; T164-I168 PolarHBondContact O-N 3.31Å
165K96.1Very high96.1Very high174 Ų17447.6 Ų47.676%0.75726%0.262SS*.Hα-helixtrans-53.2-37.7177.2-176.1-175.6176.7-172.80112S169K165-S169 VanDerWaalsContact O-CB 3.23Å; K165-S169 WeakPolarHBondContact O-CB 3.4Å; K165-S169 PolarHBondContact O-N 2.95Å
166D95.7Very high96Very high125 Ų12546.5 Ų46.567%0.66826%0.255SS*.Hα-helixtrans-75.4-35.2-178.7-55.5-52.9000112.1T164 S169 A170T164-D166 PolarHBondContact O-N 3Å; D166-S169 PolarHBondContact O-N 3.4Å; D166-A170 WeakPolarHBondContact O-CB 3.31Å; D166-A170 PolarHBondContact O-N 3.38Å
167A96.4Very high96Very high13 Ų1352.3 Ų52.311%0.10729%0.287CS..Hα-helixtrans-65.4-45.7171.100000111.8P158 I159 T164 S169 A170 G171P158-A167 HydrophobicContact CB-CB 4.26Å; I159-A167 WeakPolarHBondContact CD1-O 3.32Å; I159-A167 HydrophobicContact CG1-CB 3.72Å; T164-A167 PolarHBondContact O-N 3.09Å; T164-A167 VanDerWaalsContact O-N 3.09Å; T164-A167 VanDerWaalsContact OG1-CB 3.27Å; T164-A167 WeakPolarHBondContact OG1-CB 3.28Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.88Å; A167-A170 PolarHBondContact O-N 3.05Å; A167-G171 PolarHBondContact O-N 2.95Å
168I96.8Very high95.9Very high22 Ų2249.7 Ų49.711%0.11328%0.275CS..Hα-helixtrans-59.5-44.9174.4-67.5169000110.5I159 T164 A170 G171 K172 L212 D215I159-I168 HydrophobicContact CG2-CG1 4.14Å; T164-I168 PolarHBondContact O-N 3.31Å; I168-A170 PolarHBondContact O-N 3.41Å; I168-G171 PolarHBondContact O-N 3.23Å; I168-K172 WeakPolarHBondContact O-CB 3.38Å; I168-K172 PolarHBondContact O-N 3.03Å; I168-L212 HydrophobicContact CG2-CD1 4.42Å; I168-D215 HydrophobicContact CG2-CB 3.87Å
169S96.6Very high95.7Very high40 Ų4047.8 Ų47.828%0.2826%0.264SS..Hα-helixtrans-59.9-43.4176.1-170.50000111.8K165 D166 A167 N173K165-S169 VanDerWaalsContact O-CB 3.23Å; K165-S169 WeakPolarHBondContact O-CB 3.4Å; K165-S169 PolarHBondContact O-N 2.95Å; D166-S169 PolarHBondContact O-N 3.4Å; A167-S169 VanDerWaalsContact C-N 3.32Å; A167-S169 PolarHBondContact O-N 2.88Å; S169-N173 VanDerWaalsContact O-CB 3.3Å; S169-N173 WeakPolarHBondContact O-CB 3.39Å; S169-N173 PolarHBondContact O-N 3.12Å; S169-N173 PolarHBondContact O-ND2 2.95Å; S169-N173 PolarHBondContact OG-ND2 3.03Å
170A96.7Very high95.5Very high42 Ų4254.7 Ų54.735%0.34729%0.294SS..Hα-helixtrans-63.1-50.3176.900000112.2D166 A167 I168 K172 N173 W174D166-A170 WeakPolarHBondContact O-CB 3.31Å; D166-A170 PolarHBondContact O-N 3.38Å; A167-A170 PolarHBondContact O-N 3.05Å; I168-A170 PolarHBondContact O-N 3.41Å; A170-K172 PolarHBondContact O-N 2.92Å; A170-N173 PolarHBondContact O-N 3.19Å; A170-W174 PolarHBondContact O-N 2.88Å
171G96.8Very high95.3Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-57.9-46.6177.300000112.4A167 I168 W174 M175A167-G171 PolarHBondContact O-N 2.95Å; I168-G171 PolarHBondContact O-N 3.23Å; G171-W174 PolarHBondContact O-N 2.9Å; G171-M175 WeakPolarHBondContact O-CG 3.24Å; G171-M175 PolarHBondContact O-N 3.09Å
172K95.7Very high95.3Very high17 Ų1754 Ų547%0.07430%0.299CS..Hα-helixtrans-57.8-51.9172.7170.3-174.564.8-162.90111.7I168 A170 W174 M175 F176 L212 D215 V216 H219I168-K172 WeakPolarHBondContact O-CB 3.38Å; I168-K172 PolarHBondContact O-N 3.03Å; A170-K172 PolarHBondContact O-N 2.92Å; K172-W174 VanDerWaalsContact C-N 3.26Å; K172-W174 PolarHBondContact O-N 3.28Å; K172-M175 PolarHBondContact O-N 3.49Å; K172-M175 VanDerWaalsContact O-N 3.08Å; K172-F176 HydrophobicContact CD-CD2 4.46Å; K172-F176 HydrophobicContact CD-CE2 4.26Å; K172-F176 HydrophobicContact CG-CD2 3.64Å; K172-F176 HydrophobicContact CG-CE2 3.75Å; K172-F176 WeakPolarHBondContact O-CD2 3.41Å; K172-F176 PolarHBondContact O-N 3.18Å; K172-L212 HydrophobicContact CB-CD1 4.28Å; K172-D215 VanDerWaalsContact CD-OD2 3.29Å; K172-D215 WeakPolarHBondContact CD-OD2 3.49Å; K172-D215 VanDerWaalsContact CE-OD2 3.24Å; K172-D215 WeakPolarHBondContact CE-OD2 3.48Å; K172-D215 IonicContact NZ-OD1 3.63Å; K172-D215 PolarHBondContact NZ-OD1 3.37Å; K172-D215 IonicContact NZ-OD2 3.84Å; K172-D215 PolarHBondContact NZ-OD2 3.22Å; K172-V216 HydrophobicContact CB-CG2 3.94Å; K172-V216 HydrophobicContact CG-CG2 4.06Å; K172-H219 HydrophobicContact CD-CB 4.09Å; K172-H219 PolarHBondContact NZ-CE1 3.47Å; K172-H219 PolarHBondContact NZ-NE2 3.21Å
173N96.1Very high95.4Very high72 Ų7254.4 Ų54.439%0.38530%0.296SS..Hα-helixtrans-62-37.7-175.4-69.2-26.2000111.1S169 A170 F176 N177S169-N173 VanDerWaalsContact O-CB 3.3Å; S169-N173 WeakPolarHBondContact O-CB 3.39Å; S169-N173 PolarHBondContact O-N 3.12Å; S169-N173 PolarHBondContact O-ND2 2.95Å; S169-N173 PolarHBondContact OG-ND2 3.03Å; A170-N173 PolarHBondContact O-N 3.19Å; N173-F176 PolarHBondContact O-N 2.98Å; N173-N177 WeakPolarHBondContact O-CB 3.48Å; N173-N177 PolarHBondContact O-N 3Å; N173-N177 PolarHBondContact O-ND2 2.81Å; N173-N177 PolarHBondContact O-OD1 2.82Å
174W96.3Very high95.3Very high17 Ų1754.5 Ų54.56%0.06429%0.293CS..Hα-helixtrans-62.6-44.4171.9-179.195.7000112.3L147 E151 F152 L155 A170 G171 K172 F176 N177 N178 M188L147-W174 HydrophobicContact CD1-CH2 3.96Å; L147-W174 HydrophobicContact CD1-CZ2 4.41Å; L147-W174 HydrophobicContact CD2-CH2 3.79Å; L147-W174 HydrophobicContact CD2-CZ2 4.17Å; L147-W174 HydrophobicContact CG-CH2 4.22Å; L147-W174 HydrophobicContact CG-CZ2 4.39Å; E151-W174 PolarHBondContact OE2-NE1 3.37Å; F152-W174 HydrophobicContact CB-CE3 4.36Å; F152-W174 HydrophobicContact CB-CH2 3.55Å; F152-W174 HydrophobicContact CB-CZ2 3.96Å; F152-W174 HydrophobicContact CB-CZ3 3.74Å; F152-W174 HydrophobicContact CD1-CH2 4.39Å; F152-W174 HydrophobicContact CD1-CZ3 4.04Å; F152-W174 HydrophobicContact CD2-CD2 4.21Å; F152-W174 AromaticContact CD2-CE3 3.37Å; F152-W174 HydrophobicContact CD2-CE3 3.37Å; F152-W174 HydrophobicContact CD2-CH2 4.02Å; F152-W174 AromaticContact CD2-CZ3 3.26Å; F152-W174 HydrophobicContact CD2-CZ3 3.26Å; F152-W174 HydrophobicContact CE1-CZ3 4.46Å; F152-W174 AromaticContact CE2-CE3 3.8Å; F152-W174 HydrophobicContact CE2-CE3 3.8Å; F152-W174 AromaticContact CE2-CZ3 3.76Å; F152-W174 HydrophobicContact CE2-CZ3 3.76Å; F152-W174 HydrophobicContact CG-CE3 4Å; F152-W174 AromaticContact CG-CH2 3.76Å; F152-W174 HydrophobicContact CG-CH2 3.76Å; F152-W174 AromaticContact CG-CZ3 3.42Å; F152-W174 HydrophobicContact CG-CZ3 3.42Å; F152-W174 VanDerWaalsContact CG-CZ3 3.42Å; F152-W174 HydrophobicContact CZ-CZ3 4.34Å; L155-W174 HydrophobicContact CD1-CB 3.48Å; L155-W174 VanDerWaalsContact CD1-CB 3.48Å; L155-W174 VanDerWaalsContact CD1-CD1 3.42Å; L155-W174 HydrophobicContact CD1-CD2 4Å; L155-W174 HydrophobicContact CD1-CG 3.33Å; A170-W174 PolarHBondContact O-N 2.88Å; G171-W174 PolarHBondContact O-N 2.9Å; K172-W174 VanDerWaalsContact C-N 3.26Å; K172-W174 PolarHBondContact O-N 3.28Å; W174-F176 PolarHBondContact O-N 3.47Å; W174-N177 PolarHBondContact O-N 3.41Å; W174-N178 HydrophobicContact CH2-CB 4.41Å; W174-N178 HydrophobicContact CZ2-CB 4.4Å; W174-N178 PolarHBondContact NE1-ND2 3.15Å; W174-N178 VanDerWaalsContact NE1-ND2 3.16Å; W174-N178 PolarHBondContact O-N 2.77Å; W174-N178 PolarHBondContact O-ND2 3.34Å; W174-M188 HydrophobicContact CE3-SD 4.19Å; W174-M188 HydrophobicContact CH2-CG 4.18Å; W174-M188 HydrophobicContact CH2-SD 3.98Å; W174-M188 HydrophobicContact CZ3-CG 3.88Å; W174-M188 HydrophobicContact CZ3-SD 3.42Å; W174-M188 WeakPolarHBondContact CZ3-SD 3.24Å
175M96.1Very high95.3Very high0 Ų051.3 Ų51.30%027%0.273CS..Hα-helixtrans-61.4-43176.1-70.4175.872.200112F152 G171 K172 N177 N178 A179 M188 L192 L212 V216 L228F152-M175 HydrophobicContact CE2-CG 3.76Å; F152-M175 HydrophobicContact CE2-SD 3.98Å; F152-M175 HydrophobicContact CZ-CE 4.49Å; F152-M175 HydrophobicContact CZ-CG 3.96Å; F152-M175 HydrophobicContact CZ-SD 3.79Å; G171-M175 WeakPolarHBondContact O-CG 3.24Å; G171-M175 PolarHBondContact O-N 3.09Å; K172-M175 PolarHBondContact O-N 3.49Å; K172-M175 VanDerWaalsContact O-N 3.08Å; M175-N177 VanDerWaalsContact C-N 3.31Å; M175-N177 PolarHBondContact O-N 3.17Å; M175-N178 PolarHBondContact O-N 2.92Å; M175-A179 WeakPolarHBondContact O-CB 3.5Å; M175-A179 PolarHBondContact O-N 2.95Å; M175-M188 HydrophobicContact CB-SD 4.1Å; M175-M188 HydrophobicContact CE-CB 4.27Å; M175-M188 HydrophobicContact CG-SD 4.03Å; M175-L192 HydrophobicContact CE-CD1 3.73Å; M175-L192 HydrophobicContact SD-CD1 4.06Å; M175-L212 HydrophobicContact SD-CD2 4.4Å; M175-V216 HydrophobicContact CE-CG1 4.2Å; M175-V216 HydrophobicContact CE-CG2 4.34Å; M175-V216 HydrophobicContact SD-CG2 3.81Å; M175-L228 HydrophobicContact CE-CD1 4.34Å
176F95.1Very high95.3Very high27 Ų2744.7 Ų44.712%0.11825%0.245CC..Hα-helixtrans-67.9-27.8175.7-85.3-85.2000113.7K172 N173 W174 V216 H219 C220 K223 Q225 L228K172-F176 HydrophobicContact CD-CD2 4.46Å; K172-F176 HydrophobicContact CD-CE2 4.26Å; K172-F176 HydrophobicContact CG-CD2 3.64Å; K172-F176 HydrophobicContact CG-CE2 3.75Å; K172-F176 WeakPolarHBondContact O-CD2 3.41Å; K172-F176 PolarHBondContact O-N 3.18Å; N173-F176 PolarHBondContact O-N 2.98Å; W174-F176 PolarHBondContact O-N 3.47Å; F176-V216 HydrophobicContact CE2-CG1 3.95Å; F176-V216 HydrophobicContact CZ-CG1 4.47Å; F176-H219 HydrophobicContact CE2-CB 3.67Å; F176-H219 HydrophobicContact CZ-CB 3.58Å; F176-C220 HydrophobicContact CZ-CB 4.48Å; F176-K223 HydrophobicContact CD1-CD 3.84Å; F176-K223 HydrophobicContact CE1-CB 4.32Å; F176-K223 HydrophobicContact CE1-CD 3.72Å; F176-K223 HydrophobicContact CZ-CD 4.46Å; F176-Q225 HydrophobicContact CD1-CG 4.14Å; F176-Q225 HydrophobicContact CE1-CB 4.03Å; F176-Q225 HydrophobicContact CE1-CG 3.81Å; F176-L228 HydrophobicContact CE1-CD2 4.39Å; F176-L228 HydrophobicContact CE2-CD2 4.4Å; F176-L228 HydrophobicContact CZ-CD2 4.28Å
177N94.9Very high95.3Very high123 Ų12338.8 Ų38.866%0.65821%0.214SC*.Hα-helixtrans-78.7-25.8175.6-68.8-11.5000112.5N173 W174 M175N173-N177 WeakPolarHBondContact O-CB 3.48Å; N173-N177 PolarHBondContact O-N 3Å; N173-N177 PolarHBondContact O-ND2 2.81Å; N173-N177 PolarHBondContact O-OD1 2.82Å; W174-N177 PolarHBondContact O-N 3.41Å; M175-N177 VanDerWaalsContact C-N 3.31Å; M175-N177 PolarHBondContact O-N 3.17Å
178N93.4Very high95.3Very high24 Ų2438.2 Ų38.213%0.12821%0.209CC..Hα-helixtrans-102.2-4.3-180-74.5-65.3000114.7L147 W174 M175 K180 H184 M188L147-N178 HydrophobicContact CD1-CB 4.03Å; W174-N178 HydrophobicContact CH2-CB 4.41Å; W174-N178 HydrophobicContact CZ2-CB 4.4Å; W174-N178 PolarHBondContact NE1-ND2 3.15Å; W174-N178 VanDerWaalsContact NE1-ND2 3.16Å; W174-N178 PolarHBondContact O-N 2.77Å; W174-N178 PolarHBondContact O-ND2 3.34Å; M175-N178 PolarHBondContact O-N 2.92Å; N178-K180 PolarHBondContact O-N 3.42Å; N178-K180 PolarHBondContact OD1-NZ 3.27Å; N178-H184 VanDerWaalsContact O-CB 3.27Å; N178-H184 WeakPolarHBondContact O-CB 3.4Å; N178-H184 PolarHBondContact O-CD2 3.47Å; N178-H184 VanDerWaalsContact O-CD2 3.25Å; N178-M188 HydrophobicContact CB-SD 4.11Å
179A93.5Very high95.3Very high18 Ų1837.2 Ų37.215%0.14920%0.204CC..  trans-69.161.716800000112.3M175 G181 M188 L228M175-A179 WeakPolarHBondContact O-CB 3.5Å; M175-A179 PolarHBondContact O-N 2.95Å; A179-G181 VanDerWaalsContact C-N 3.31Å; A179-M188 HydrophobicContact CB-CE 4.18Å; A179-L228 HydrophobicContact CB-CD2 4.27Å
180K91.8Very high95.2Very high145 Ų14535.7 Ų35.763%0.6319%0.193SC*.SBendtrans-80.6-10.8-177.7-61.6168.2-167149.80113.3N178N178-K180 PolarHBondContact O-N 3.42Å; N178-K180 PolarHBondContact OD1-NZ 3.27Å
181G93Very high95.1Very high16 Ų1635 Ų3517%0.16518%0.183CC..SBendtrans171.2174.5179.300000111.3A179 Q183 H184 C185A179-G181 VanDerWaalsContact C-N 3.31Å; G181-Q183 VanDerWaalsContact C-N 3.35Å; G181-Q183 PolarHBondContact O-N 3.47Å; G181-H184 WeakPolarHBondContact O-CB 3.38Å; G181-H184 PolarHBondContact O-N 2.98Å; G181-C185 PolarHBondContact O-N 3.41Å; G181-C185 PolarHBondContact O-SG 2.74Å
182P94.4Very high95.1Very high85 Ų8535 Ų3555%0.55218%0.183SC*.Hα-helixtrans-62.1-37.2-166.622.3-33.1000113.7H184 C185 E186 D227P182-H184 VanDerWaalsContact C-N 3.33Å; P182-H184 PolarHBondContact O-N 2.89Å; P182-C185 WeakPolarHBondContact O-CB 3.44Å; P182-C185 PolarHBondContact O-N 2.86Å; P182-E186 PolarHBondContact O-N 3.17Å; P182-D227 HydrophobicContact CB-CB 4.4Å; P182-D227 WeakPolarHBondContact CD-OD2 3.31Å
183Q94.4Very high95.1Very high87 Ų8735.2 Ų35.241%0.40718%0.183SC..Hα-helixtrans-62.3-36.7176.5-66-173.4-42.300113.3L141 E144 T145 G181 L187L141-Q183 HydrophobicContact CD2-CB 3.76Å; L141-Q183 HydrophobicContact CD2-CG 3.92Å; E144-Q183 PolarHBondContact OE2-NE2 3.19Å; T145-Q183 HydrophobicContact CG2-CB 3.75Å; G181-Q183 VanDerWaalsContact C-N 3.35Å; G181-Q183 PolarHBondContact O-N 3.47Å; Q183-L187 WeakPolarHBondContact O-CB 3.38Å; Q183-L187 PolarHBondContact O-N 2.92Å
184H95.1Very high95Very high30 Ų3034.9 Ų34.914%0.13918%0.181CC..Hα-helixtrans-68.3-42.2176.6-6759.6000110.2T145 N178 G181 P182 L187 M188T145-H184 HydrophobicContact CG2-CB 4.5Å; N178-H184 VanDerWaalsContact O-CB 3.27Å; N178-H184 WeakPolarHBondContact O-CB 3.4Å; N178-H184 PolarHBondContact O-CD2 3.47Å; N178-H184 VanDerWaalsContact O-CD2 3.25Å; G181-H184 WeakPolarHBondContact O-CB 3.38Å; G181-H184 PolarHBondContact O-N 2.98Å; P182-H184 VanDerWaalsContact C-N 3.33Å; P182-H184 PolarHBondContact O-N 2.89Å; H184-L187 PolarHBondContact O-N 3.01Å; H184-M188 WeakPolarHBondContact O-CE 3.36Å; H184-M188 WeakPolarHBondContact O-CG 3.37Å; H184-M188 PolarHBondContact O-N 3.48Å
185C95.9Very high94.9Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-61-46.1175.9-62.40000111.8G181 P182 M188 A189 L228 A231G181-C185 PolarHBondContact O-N 3.41Å; G181-C185 PolarHBondContact O-SG 2.74Å; P182-C185 WeakPolarHBondContact O-CB 3.44Å; P182-C185 PolarHBondContact O-N 2.86Å; C185-M188 PolarHBondContact O-N 3Å; C185-A189 WeakPolarHBondContact O-CB 3.44Å; C185-A189 PolarHBondContact O-N 2.71Å; C185-L228 HydrophobicContact CB-CB 4.4Å; C185-L228 HydrophobicContact CB-CD1 3.95Å; C185-A231 VanDerWaalsContact C-CB 3.47Å; C185-A231 HydrophobicContact CB-CB 3.69Å; C185-A231 WeakPolarHBondContact O-CB 3.25Å
186E95.6Very high94.9Very high36 Ų3637.2 Ų37.217%0.16819%0.19CC..Hα-helixtrans-65.5-39.3179-172.6164.5117.500112.5Q137 L141 P182 S190 K234Q137-E186 PolarHBondContact NE2-OE1 3.39Å; L141-E186 HydrophobicContact CD1-CB 4.36Å; L141-E186 HydrophobicContact CD1-CG 4.03Å; P182-E186 PolarHBondContact O-N 3.17Å; E186-S190 WeakPolarHBondContact O-CB 3.26Å; E186-S190 PolarHBondContact O-N 3.04Å; E186-S190 PolarHBondContact O-OG 3.06Å; E186-K234 IonicContact OE2-NZ 3.9Å; E186-K234 PolarHBondContact OE2-NZ 2.96Å
187L95.9Very high94.9Very high1 Ų137.7 Ų37.71%0.00520%0.195CC..Hα-helixtrans-62-50.1174.3179.761.1000111.7I138 L141 L142 T145 L147 Q183 H184 A189 S190 H191I138-L187 HydrophobicContact CG2-CD1 3.97Å; L141-L187 HydrophobicContact CB-CB 4.27Å; L141-L187 HydrophobicContact CB-CD1 4.19Å; L142-L187 HydrophobicContact CB-CD1 4.44Å; L142-L187 HydrophobicContact CB-CD2 4.42Å; T145-L187 VanDerWaalsContact OG1-CD2 3.28Å; T145-L187 WeakPolarHBondContact OG1-CD2 3.29Å; L147-L187 HydrophobicContact CB-CD2 4.05Å; L147-L187 HydrophobicContact CD2-CD2 4.23Å; Q183-L187 WeakPolarHBondContact O-CB 3.38Å; Q183-L187 PolarHBondContact O-N 2.92Å; H184-L187 PolarHBondContact O-N 3.01Å; L187-A189 PolarHBondContact O-N 3.41Å; L187-S190 PolarHBondContact O-N 2.94Å; L187-H191 WeakPolarHBondContact O-CB 3.43Å; L187-H191 PolarHBondContact O-N 2.9Å
188M96.3Very high94.7Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-62.1-41.9179.3-68.2-177-68.300112.1L147 F152 W174 M175 N178 A179 H184 C185 L192 L228L147-M188 HydrophobicContact CD1-CG 4.22Å; L147-M188 HydrophobicContact CD1-SD 4.41Å; F152-M188 HydrophobicContact CE1-CB 4.47Å; W174-M188 HydrophobicContact CE3-SD 4.19Å; W174-M188 HydrophobicContact CH2-CG 4.18Å; W174-M188 HydrophobicContact CH2-SD 3.98Å; W174-M188 HydrophobicContact CZ3-CG 3.88Å; W174-M188 HydrophobicContact CZ3-SD 3.42Å; W174-M188 WeakPolarHBondContact CZ3-SD 3.24Å; M175-M188 HydrophobicContact CB-SD 4.1Å; M175-M188 HydrophobicContact CE-CB 4.27Å; M175-M188 HydrophobicContact CG-SD 4.03Å; N178-M188 HydrophobicContact CB-SD 4.11Å; A179-M188 HydrophobicContact CB-CE 4.18Å; H184-M188 WeakPolarHBondContact O-CE 3.36Å; H184-M188 WeakPolarHBondContact O-CG 3.37Å; H184-M188 PolarHBondContact O-N 3.48Å; C185-M188 PolarHBondContact O-N 3Å; M188-L192 PolarHBondContact O-N 2.96Å; M188-L192 VanDerWaalsContact O-N 3.16Å; M188-L228 HydrophobicContact CE-CD1 4.31Å
189A96.8Very high94.5Very high1 Ų140.9 Ų40.91%0.00822%0.215CC..Hα-helixtrans-67.7-41.7177.500000112.5C185 L187 L192 R193 A231 L232 V235C185-A189 WeakPolarHBondContact O-CB 3.44Å; C185-A189 PolarHBondContact O-N 2.71Å; L187-A189 PolarHBondContact O-N 3.41Å; A189-L192 PolarHBondContact O-N 2.98Å; A189-R193 PolarHBondContact O-N 3Å; A189-A231 HydrophobicContact CB-CB 4Å; A189-A231 VanDerWaalsContact CB-O 3.3Å; A189-A231 WeakPolarHBondContact CB-O 3.33Å; A189-L232 HydrophobicContact CB-CD2 4.08Å; A189-V235 HydrophobicContact CB-CG1 4.34Å; A189-V235 HydrophobicContact CB-CG2 3.97Å
190S94.6Very high94.3Very high8 Ų845 Ų456%0.05624%0.242CC..Hα-helixtrans-67.2-35.1177.6-62.30000112.5E186 L187 R193 N194E186-S190 WeakPolarHBondContact O-CB 3.26Å; E186-S190 PolarHBondContact O-N 3.04Å; E186-S190 PolarHBondContact O-OG 3.06Å; L187-S190 PolarHBondContact O-N 2.94Å; S190-R193 WeakPolarHBondContact O-CB 3.4Å; S190-R193 PolarHBondContact O-N 3.16Å; S190-N194 PolarHBondContact O-N 3.2Å; S190-N194 PolarHBondContact O-OD1 3.01Å
191H95.1Very high94.4Very high29 Ų2938.4 Ų38.413%0.13422%0.215CC..Hα-helixtrans-65.2-45.6172.7-167.773000111.6I149 F152 D153 L187 R193 N194 R195I149-H191 HydrophobicContact CD1-CB 3.94Å; I149-H191 HydrophobicContact CG1-CB 4.47Å; F152-H191 AromaticContact CD1-CD2 3.64Å; F152-H191 HydrophobicContact CE1-CB 4.49Å; F152-H191 AromaticContact CE1-CD2 3.99Å; D153-H191 IonicContact OD1-CD2 3.9Å; D153-H191 IonicContact OD1-CE1 3.18Å; D153-H191 IonicContact OD1-NE2 2.98Å; D153-H191 PolarHBondContact OD1-NE2 3.24Å; D153-H191 IonicContact OD2-CE1 2.92Å; D153-H191 IonicContact OD2-NE2 2.65Å; D153-H191 PolarHBondContact OD2-NE2 2.78Å; L187-H191 WeakPolarHBondContact O-CB 3.43Å; L187-H191 PolarHBondContact O-N 2.9Å; H191-R193 VanDerWaalsContact C-N 3.33Å; H191-R193 PolarHBondContact O-N 3.49Å; H191-N194 PolarHBondContact O-N 3.17Å; H191-R195 WeakPolarHBondContact O-CB 2.8Å; H191-R195 VanDerWaalsContact O-CG 3.27Å; H191-R195 WeakPolarHBondContact O-CG 3.31Å; H191-R195 PolarHBondContact O-N 3.02Å
192L96.6Very high94.4Very high0 Ų042.8 Ų42.80%023%0.231CC..Hα-helixtrans-58.5-42.9173.4-74.8175.1000112F152 L156 M175 M188 A189 I196 L209 L212F152-L192 HydrophobicContact CE1-CD2 4.2Å; F152-L192 HydrophobicContact CE1-CG 4.01Å; F152-L192 HydrophobicContact CZ-CD1 4.18Å; F152-L192 HydrophobicContact CZ-CD2 3.88Å; F152-L192 HydrophobicContact CZ-CG 3.88Å; L156-L192 HydrophobicContact CD1-CD2 3.97Å; L156-L192 HydrophobicContact CD2-CD2 3.96Å; M175-L192 HydrophobicContact CE-CD1 3.73Å; M175-L192 HydrophobicContact SD-CD1 4.06Å; M188-L192 PolarHBondContact O-N 2.96Å; M188-L192 VanDerWaalsContact O-N 3.16Å; A189-L192 PolarHBondContact O-N 2.98Å; L192-I196 WeakPolarHBondContact O-CD1 3.23Å; L192-I196 VanDerWaalsContact O-CG1 3.22Å; L192-I196 WeakPolarHBondContact O-CG1 3.47Å; L192-I196 PolarHBondContact O-N 3.24Å; L192-L209 HydrophobicContact CD2-CD2 4.38Å; L192-L212 HydrophobicContact CD2-CD2 4.08Å
193R95.8Very high94.4Very high21 Ų2139.9 Ų39.98%0.07921%0.21CC..Hα-helixtrans-55.6-59.3173.4-175.9-165.562.5-145.2-6.1110.6M134 A189 S190 H191 R195 I196 T197 V235 P238 I239M134-R193 VanDerWaalsContact CE-CZ 3.43Å; A189-R193 PolarHBondContact O-N 3Å; S190-R193 WeakPolarHBondContact O-CB 3.4Å; S190-R193 PolarHBondContact O-N 3.16Å; H191-R193 VanDerWaalsContact C-N 3.33Å; H191-R193 PolarHBondContact O-N 3.49Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.36Å; R193-I196 PolarHBondContact O-N 3.36Å; R193-T197 HydrophobicContact CG-CG2 3.9Å; R193-T197 PolarHBondContact O-N 2.82Å; R193-T197 PolarHBondContact O-OG1 3.14Å; R193-T197 VanDerWaalsContact O-OG1 3.06Å; R193-V235 HydrophobicContact CB-CB 4.03Å; R193-V235 HydrophobicContact CB-CG1 3.94Å; R193-V235 HydrophobicContact CG-CB 4.39Å; R193-V235 HydrophobicContact CG-CG1 4.39Å; R193-P238 HydrophobicContact CG-CG 4.34Å; R193-I239 HydrophobicContact CB-CD1 4.19Å; R193-I239 HydrophobicContact CB-CG1 4.19Å; R193-I239 HydrophobicContact CG-CG1 4.29Å
194N94.1Very high94.4Very high64 Ų6439.1 Ų39.134%0.34221%0.206SC..Hα-helixtrans-59.5-36.9-175.1-70.918.1000112.4I138 S190 H191 I196I138-N194 VanDerWaalsContact CD1-ND2 3.26Å; I138-N194 WeakPolarHBondContact CD1-ND2 3.42Å; S190-N194 PolarHBondContact O-N 3.2Å; S190-N194 PolarHBondContact O-OD1 3.01Å; H191-N194 PolarHBondContact O-N 3.17Å; N194-I196 VanDerWaalsContact C-N 3.28Å; N194-I196 PolarHBondContact O-N 3.26Å
195R94.6Very high94.4Very high66 Ų6638.6 Ų38.625%0.24920%0.204CC..Hα-helixtrans-66.2-24.4174.9-69.9-69-58.9-128.56.7113.6D153 H191 R193 L205 L209D153-R195 VanDerWaalsContact CG-NH1 3.31Å; D153-R195 IonicContact OD1-CZ 3.5Å; D153-R195 IonicContact OD1-NH1 3.93Å; D153-R195 PolarHBondContact OD1-NH1 3.36Å; D153-R195 IonicContact OD2-NH1 2.74Å; H191-R195 WeakPolarHBondContact O-CB 2.8Å; H191-R195 VanDerWaalsContact O-CG 3.27Å; H191-R195 WeakPolarHBondContact O-CG 3.31Å; H191-R195 PolarHBondContact O-N 3.02Å; R193-R195 VanDerWaalsContact C-N 3.28Å; R193-R195 PolarHBondContact O-N 3.36Å; R195-L205 WeakPolarHBondContact O-CD2 3.48Å; R195-L209 HydrophobicContact CB-CD1 3.97Å
196I95.8Very high94.4Very high0 Ų039.1 Ų39.10%021%0.206CC..Hα-helixtrans-97-43.8-178.3-65.9167.1000111.8L192 R193 N194 V198 R206 L209 I210 I239 S243L192-I196 WeakPolarHBondContact O-CD1 3.23Å; L192-I196 VanDerWaalsContact O-CG1 3.22Å; L192-I196 WeakPolarHBondContact O-CG1 3.47Å; L192-I196 PolarHBondContact O-N 3.24Å; R193-I196 PolarHBondContact O-N 3.36Å; N194-I196 VanDerWaalsContact C-N 3.28Å; N194-I196 PolarHBondContact O-N 3.26Å; I196-V198 VanDerWaalsContact C-N 3.34Å; I196-V198 PolarHBondContact O-N 2.99Å; I196-R206 HydrophobicContact CG2-CB 4.12Å; I196-R206 HydrophobicContact CG2-CG 3.99Å; I196-R206 PolarHBondContact O-NE 3.01Å; I196-L209 HydrophobicContact CD1-CB 3.64Å; I196-L209 HydrophobicContact CD1-CD1 4.46Å; I196-L209 HydrophobicContact CG1-CB 3.77Å; I196-L209 HydrophobicContact CG1-CD1 3.82Å; I196-L209 HydrophobicContact CG1-CG 4.43Å; I196-I210 HydrophobicContact CD1-CG1 4.33Å; I196-I239 HydrophobicContact CB-CG1 4.49Å; I196-I239 HydrophobicContact CD1-CD1 4.05Å; I196-I239 HydrophobicContact CD1-CG1 4.04Å; I196-I239 HydrophobicContact CD1-CG2 3.78Å; I196-I239 HydrophobicContact CG2-CG2 4.27Å; I196-S243 VanDerWaalsContact CG2-OG 3.25Å; I196-S243 WeakPolarHBondContact CG2-OG 3.21Å
197T94.2Very high94.4Very high37 Ų3737.5 Ų37.523%0.22720%0.198CC..Hα-helixtrans-79.9-11.8-171.158.90000114.1R193 P238R193-T197 HydrophobicContact CG-CG2 3.9Å; R193-T197 PolarHBondContact O-N 2.82Å; R193-T197 PolarHBondContact O-OG1 3.14Å; R193-T197 VanDerWaalsContact O-OG1 3.06Å; T197-P238 HydrophobicContact CG2-CB 4.34Å
198V92.3Very high94.4Very high65 Ų6538.7 Ų38.739%0.39420%0.204SC..SBendtrans-63.6138.7174.366.40000111.4I196 S200 A201 R206I196-V198 VanDerWaalsContact C-N 3.34Å; I196-V198 PolarHBondContact O-N 2.99Å; V198-S200 PolarHBondContact O-N 3.41Å; V198-A201 HydrophobicContact CG1-CB 3.87Å; V198-A201 VanDerWaalsContact O-CB 3.24Å; V198-A201 WeakPolarHBondContact O-CB 3.41Å; V198-A201 PolarHBondContact O-N 3.27Å; V198-R206 PolarHBondContact O-NH2 3.28Å
199D88.2Confident94.4Very high150 Ų15038.7 Ų38.780%0.80220%0.204SC*.THydrogen-bonded Turntrans-62.1-30.3-174.3-59.6-64.5000113.6A201D199-A201 PolarHBondContact O-N 2.82Å
200S90.6Very high94.4Very high104 Ų10438.6 Ų38.673%0.72720%0.203SC*.THydrogen-bonded Turntrans-73.1-6.8176.962.10000114.4V198 H202V198-S200 PolarHBondContact O-N 3.41Å; S200-H202 PolarHBondContact O-N 2.94Å
201A93.4Very high94.5Very high7 Ų741.9 Ų41.96%0.05822%0.215CC..  trans-71.7114.5177.300000111.5V198 D199 L205 R206V198-A201 HydrophobicContact CG1-CB 3.87Å; V198-A201 VanDerWaalsContact O-CB 3.24Å; V198-A201 WeakPolarHBondContact O-CB 3.41Å; V198-A201 PolarHBondContact O-N 3.27Å; D199-A201 PolarHBondContact O-N 2.82Å; A201-L205 HydrophobicContact CB-CD2 4.11Å; A201-R206 HydrophobicContact CB-CG 3.89Å; A201-R206 PolarHBondContact O-NE 2.96Å; A201-R206 PolarHBondContact O-NH1 3.16Å; A201-R206 PolarHBondContact O-NH2 3.09Å
202H92.8Very high94.6Very high108 Ų10840.5 Ų40.550%0.521%0.209SC..  trans-74.515817666.5-90.3000112.1S200 E204 L205 R206S200-H202 PolarHBondContact O-N 2.94Å; H202-E204 PolarHBondContact O-N 3.04Å; H202-L205 WeakPolarHBondContact O-CB 3.22Å; H202-L205 PolarHBondContact O-N 3.31Å; H202-R206 PolarHBondContact O-N 3.1Å
203F94.1Very high94.6Very high24 Ų2440.5 Ų40.511%0.10521%0.209CC..Hα-helixtrans-51.4-50.4-170.9172.6-117.9000115.3L205 R206 L207 V247 K251 K254 I255F203-L205 PolarHBondContact O-N 3.17Å; F203-R206 PolarHBondContact O-N 3.07Å; F203-L207 HydrophobicContact CE1-CD2 4.31Å; F203-L207 HydrophobicContact CZ-CD2 4.14Å; F203-L207 WeakPolarHBondContact O-CB 3.3Å; F203-L207 PolarHBondContact O-N 3.33Å; F203-V247 HydrophobicContact CD2-CB 4.46Å; F203-V247 HydrophobicContact CD2-CG1 3.79Å; F203-V247 HydrophobicContact CD2-CG2 3.72Å; F203-V247 HydrophobicContact CE2-CG1 3.88Å; F203-V247 HydrophobicContact CE2-CG2 4.38Å; F203-K251 HydrophobicContact CD1-CB 4.45Å; F203-K251 HydrophobicContact CD1-CD 3.83Å; F203-K251 HydrophobicContact CD1-CG 4.1Å; F203-K251 HydrophobicContact CD2-CB 4.44Å; F203-K251 HydrophobicContact CE1-CB 3.88Å; F203-K251 HydrophobicContact CE1-CD 3.99Å; F203-K251 HydrophobicContact CE1-CG 3.72Å; F203-K251 HydrophobicContact CE2-CB 3.88Å; F203-K251 HydrophobicContact CG-CD 4.09Å; F203-K251 HydrophobicContact CZ-CB 3.56Å; F203-K251 HydrophobicContact CZ-CD 4.41Å; F203-K251 HydrophobicContact CZ-CG 3.96Å; F203-K254 HydrophobicContact CE1-CD 4.06Å; F203-K254 HydrophobicContact CZ-CB 4.33Å; F203-K254 HydrophobicContact CZ-CD 3.86Å; F203-K254 HydrophobicContact CZ-CG 4.36Å; F203-I255 HydrophobicContact CE2-CD1 4.05Å; F203-I255 HydrophobicContact CE2-CG1 4.39Å
204E94.3Very high94.5Very high70 Ų7040.8 Ų40.833%0.32721%0.212SC..Hα-helixtrans-67.3-35.1-175.6-54.5-63.3166.600111.4H202 R206 L207 H208 K254H202-E204 PolarHBondContact O-N 3.04Å; E204-R206 PolarHBondContact O-N 3.33Å; E204-L207 PolarHBondContact O-N 3.13Å; E204-L207 WeakPolarHBondContact OE2-CD2 3.4Å; E204-H208 VanDerWaalsContact O-CB 3.27Å; E204-H208 WeakPolarHBondContact O-CB 3.29Å; E204-H208 PolarHBondContact O-CD2 3.35Å; E204-H208 VanDerWaalsContact O-CD2 3.3Å; E204-H208 PolarHBondContact O-N 2.88Å; E204-H208 PolarHBondContact O-ND1 3.05Å; E204-H208 IonicContact OE2-NE2 3.91Å; E204-K254 IonicContact OE1-NZ 3.14Å; E204-K254 PolarHBondContact OE1-NZ 2.82Å; E204-K254 IonicContact OE2-NZ 2.99Å; E204-K254 PolarHBondContact OE2-NZ 2.58Å
205L95.2Very high94.5Very high19 Ų1939.4 Ų39.410%0.09921%0.205CC..Hα-helixtrans-56.1-51.6169.7-178.2163.6000111.3I160 R195 A201 H202 F203 L207 H208 L209I160-L205 HydrophobicContact CD1-CD1 4.09Å; I160-L205 HydrophobicContact CD1-CG 3.97Å; I160-L205 HydrophobicContact CG1-CG 3.99Å; I160-L205 HydrophobicContact CG2-CB 3.94Å; I160-L205 HydrophobicContact CG2-CD1 4.01Å; I160-L205 HydrophobicContact CG2-CG 3.85Å; R195-L205 WeakPolarHBondContact O-CD2 3.48Å; A201-L205 HydrophobicContact CB-CD2 4.11Å; H202-L205 WeakPolarHBondContact O-CB 3.22Å; H202-L205 PolarHBondContact O-N 3.31Å; F203-L205 PolarHBondContact O-N 3.17Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L207 PolarHBondContact O-N 3.14Å; L205-H208 PolarHBondContact O-N 3.18Å; L205-L209 HydrophobicContact CD2-CD1 3.7Å; L205-L209 HydrophobicContact CD2-CG 4.38Å; L205-L209 HydrophobicContact CG-CD1 4.42Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.49Å
206R95.4Very high94.6Very high11 Ų1136.3 Ų36.34%0.04219%0.193CC..Hα-helixtrans-57.8-48.4178.8-64.4-169.1173.2131.33.8110.6I196 V198 A201 H202 F203 E204 I210 A246I196-R206 HydrophobicContact CG2-CB 4.12Å; I196-R206 HydrophobicContact CG2-CG 3.99Å; I196-R206 PolarHBondContact O-NE 3.01Å; V198-R206 PolarHBondContact O-NH2 3.28Å; A201-R206 HydrophobicContact CB-CG 3.89Å; A201-R206 PolarHBondContact O-NE 2.96Å; A201-R206 PolarHBondContact O-NH1 3.16Å; A201-R206 PolarHBondContact O-NH2 3.09Å; H202-R206 PolarHBondContact O-N 3.1Å; F203-R206 PolarHBondContact O-N 3.07Å; E204-R206 PolarHBondContact O-N 3.33Å; R206-I210 WeakPolarHBondContact O-CD1 3.41Å; R206-I210 WeakPolarHBondContact O-CG1 3.3Å; R206-I210 PolarHBondContact O-N 3.34Å; R206-A246 VanDerWaalsContact NH1-CB 3.27Å
207L95.6Very high94.5Very high2 Ų236.3 Ų36.31%0.0119%0.193CC..Hα-helixtrans-62.1-47.1179.8-173.972.4000113.1F203 E204 L205 L209 I210 Y211 K254 I255 L258F203-L207 HydrophobicContact CE1-CD2 4.31Å; F203-L207 HydrophobicContact CZ-CD2 4.14Å; F203-L207 WeakPolarHBondContact O-CB 3.3Å; F203-L207 PolarHBondContact O-N 3.33Å; E204-L207 PolarHBondContact O-N 3.13Å; E204-L207 WeakPolarHBondContact OE2-CD2 3.4Å; L205-L207 VanDerWaalsContact C-N 3.34Å; L205-L207 PolarHBondContact O-N 3.14Å; L207-L209 PolarHBondContact O-N 2.97Å; L207-I210 PolarHBondContact O-N 2.91Å; L207-Y211 HydrophobicContact CD1-CE1 3.9Å; L207-Y211 HydrophobicContact CD1-CE2 4.3Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 HydrophobicContact CG-CD2 4.34Å; L207-Y211 HydrophobicContact CG-CE1 4.22Å; L207-Y211 HydrophobicContact CG-CE2 3.76Å; L207-Y211 PolarHBondContact O-N 3.42Å; L207-K254 HydrophobicContact CD1-CB 3.97Å; L207-K254 HydrophobicContact CD1-CD 4.45Å; L207-K254 HydrophobicContact CD2-CB 4.46Å; L207-K254 HydrophobicContact CD2-CD 3.43Å; L207-K254 VanDerWaalsContact CD2-CD 3.43Å; L207-I255 HydrophobicContact CD1-CG1 4.27Å; L207-L258 HydrophobicContact CD1-CD1 4.48Å
208H96.6Very high94.3Very high26 Ų2637.3 Ų37.312%0.1220%0.195CC..Hα-helixtrans-66-37.9-177.7-62.6168.8000111.8I159 I160 C163 E204 L205 Y211 L212I159-H208 HydrophobicContact CG2-CB 4.31Å; I159-H208 PolarHBondContact O-ND1 3.1Å; I160-H208 PolarHBondContact O-ND1 3.01Å; C163-H208 HydrophobicContact CB-CB 4.27Å; C163-H208 VanDerWaalsContact CB-CD2 3.45Å; C163-H208 WeakPolarHBondContact CB-CD2 3.38Å; C163-H208 PolarHBondContact SG-CD2 3.46Å; E204-H208 VanDerWaalsContact O-CB 3.27Å; E204-H208 WeakPolarHBondContact O-CB 3.29Å; E204-H208 PolarHBondContact O-CD2 3.35Å; E204-H208 VanDerWaalsContact O-CD2 3.3Å; E204-H208 PolarHBondContact O-N 2.88Å; E204-H208 PolarHBondContact O-ND1 3.05Å; E204-H208 IonicContact OE2-NE2 3.91Å; L205-H208 PolarHBondContact O-N 3.18Å; H208-Y211 PolarHBondContact O-N 2.84Å; H208-L212 PolarHBondContact O-N 3.28Å; H208-L212 VanDerWaalsContact O-N 3.13Å
209L97.2Very high94.4Very high0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-72.7-32.8174-63.8-175.7000112.4L156 I159 I160 L192 R195 I196 L205 L207 Y211 L212 T213L156-L209 HydrophobicContact CB-CD2 4.37Å; L156-L209 HydrophobicContact CD1-CD2 4.42Å; L156-L209 HydrophobicContact CD2-CD2 3.88Å; L156-L209 HydrophobicContact CG-CD2 4.44Å; I159-L209 HydrophobicContact CG2-CD2 4.46Å; I160-L209 HydrophobicContact CD1-CD1 4.33Å; I160-L209 HydrophobicContact CD1-CD2 4.4Å; I160-L209 HydrophobicContact CG1-CD1 4.43Å; I160-L209 HydrophobicContact CG1-CD2 3.97Å; I160-L209 HydrophobicContact CG1-CG 4.15Å; L192-L209 HydrophobicContact CD2-CD2 4.38Å; R195-L209 HydrophobicContact CB-CD1 3.97Å; I196-L209 HydrophobicContact CD1-CB 3.64Å; I196-L209 HydrophobicContact CD1-CD1 4.46Å; I196-L209 HydrophobicContact CG1-CB 3.77Å; I196-L209 HydrophobicContact CG1-CD1 3.82Å; I196-L209 HydrophobicContact CG1-CG 4.43Å; L205-L209 HydrophobicContact CD2-CD1 3.7Å; L205-L209 HydrophobicContact CD2-CG 4.38Å; L205-L209 HydrophobicContact CG-CD1 4.42Å; L205-L209 WeakPolarHBondContact O-CG 3.41Å; L205-L209 PolarHBondContact O-N 3.49Å; L207-L209 PolarHBondContact O-N 2.97Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; L209-L212 WeakPolarHBondContact O-CB 3.28Å; L209-L212 PolarHBondContact O-N 3.19Å; L209-T213 PolarHBondContact O-N 3.44Å; L209-T213 PolarHBondContact O-OG1 2.94Å
210I96Very high94.6Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-66-35.7170.3-65163.8000111.3I196 R206 L207 L212 T213 N214 I239 L258 W262I196-I210 HydrophobicContact CD1-CG1 4.33Å; R206-I210 WeakPolarHBondContact O-CD1 3.41Å; R206-I210 WeakPolarHBondContact O-CG1 3.3Å; R206-I210 PolarHBondContact O-N 3.34Å; L207-I210 PolarHBondContact O-N 2.91Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.95Å; I210-T213 PolarHBondContact O-N 2.9Å; I210-N214 WeakPolarHBondContact O-CB 3.38Å; I210-N214 PolarHBondContact O-N 2.91Å; I210-I239 HydrophobicContact CD1-CG2 4.08Å; I210-I239 HydrophobicContact CG1-CG2 3.55Å; I210-L258 HydrophobicContact CB-CD1 4.47Å; I210-L258 HydrophobicContact CG2-CD1 3.59Å; I210-W262 HydrophobicContact CG2-CH2 4Å; I210-W262 HydrophobicContact CG2-CZ2 3.93Å
211Y96.3Very high94.4Very high76 Ų7627.2 Ų27.230%0.29813%0.127SC..Hα-helixtrans-64.3-36.1172.8-68.1-21.1000112.7L207 H208 L209 D215 L258L207-Y211 HydrophobicContact CD1-CE1 3.9Å; L207-Y211 HydrophobicContact CD1-CE2 4.3Å; L207-Y211 HydrophobicContact CD2-CE2 3.96Å; L207-Y211 HydrophobicContact CG-CD2 4.34Å; L207-Y211 HydrophobicContact CG-CE1 4.22Å; L207-Y211 HydrophobicContact CG-CE2 3.76Å; L207-Y211 PolarHBondContact O-N 3.42Å; H208-Y211 PolarHBondContact O-N 2.84Å; L209-Y211 VanDerWaalsContact C-N 3.33Å; Y211-D215 PolarHBondContact O-N 2.69Å; Y211-D215 VanDerWaalsContact O-N 3.12Å; Y211-L258 HydrophobicContact CD1-CD1 3.93Å; Y211-L258 HydrophobicContact CD1-CD2 3.86Å; Y211-L258 HydrophobicContact CD1-CG 4.39Å; Y211-L258 HydrophobicContact CE1-CD1 3.69Å; Y211-L258 HydrophobicContact CE1-CD2 3.95Å; Y211-L258 HydrophobicContact CE1-CG 4.1Å
212L97.3Very high94.1Very high0 Ų034.2 Ų34.20%015%0.152CC..Hα-helixtrans-61.7-53168.3172.365.1000111.1L156 I159 I168 K172 M175 L192 H208 L209 I210 N214 D215 V216L156-L212 HydrophobicContact CD2-CD2 3.54Å; I159-L212 HydrophobicContact CD1-CD1 4.26Å; I159-L212 HydrophobicContact CD1-CD2 3.9Å; I159-L212 HydrophobicContact CD1-CG 4.49Å; I168-L212 HydrophobicContact CG2-CD1 4.42Å; K172-L212 HydrophobicContact CB-CD1 4.28Å; M175-L212 HydrophobicContact SD-CD2 4.4Å; L192-L212 HydrophobicContact CD2-CD2 4.08Å; H208-L212 PolarHBondContact O-N 3.28Å; H208-L212 VanDerWaalsContact O-N 3.13Å; L209-L212 WeakPolarHBondContact O-CB 3.28Å; L209-L212 PolarHBondContact O-N 3.19Å; I210-L212 VanDerWaalsContact C-N 3.34Å; I210-L212 PolarHBondContact O-N 2.95Å; L212-N214 VanDerWaalsContact C-N 3.26Å; L212-N214 PolarHBondContact O-N 3.07Å; L212-D215 PolarHBondContact O-N 2.87Å; L212-D215 VanDerWaalsContact O-N 3.09Å; L212-V216 HydrophobicContact CD1-CG2 3.98Å; L212-V216 HydrophobicContact CG-CG2 4.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.72Å
213T96.2Very high93.9Very high0 Ų034.7 Ų34.70%015%0.153CC..Hα-helixtrans-53-43.3177.6-65.70000111.9L209 I210 V216 L217 L232 V236L209-T213 PolarHBondContact O-N 3.44Å; L209-T213 PolarHBondContact O-OG1 2.94Å; I210-T213 PolarHBondContact O-N 2.9Å; T213-V216 PolarHBondContact O-N 3.1Å; T213-L217 HydrophobicContact CG2-CD1 3.84Å; T213-L217 HydrophobicContact CG2-CG 4.31Å; T213-L217 WeakPolarHBondContact O-CB 3.45Å; T213-L217 VanDerWaalsContact O-CG 3.24Å; T213-L217 WeakPolarHBondContact O-CG 3.28Å; T213-L217 PolarHBondContact O-N 3.16Å; T213-L232 HydrophobicContact CG2-CD2 4.31Å; T213-V236 HydrophobicContact CG2-CG2 4.42Å
214N94Very high93.6Very high27 Ų2740 Ų4014%0.14418%0.178CC..Hα-helixtrans-63-43.9176.4174.578.6000113.5I210 L212 V216 H218 L258 W262I210-N214 WeakPolarHBondContact O-CB 3.38Å; I210-N214 PolarHBondContact O-N 2.91Å; L212-N214 VanDerWaalsContact C-N 3.26Å; L212-N214 PolarHBondContact O-N 3.07Å; N214-V216 VanDerWaalsContact C-N 3.33Å; N214-H218 WeakPolarHBondContact O-CB 3.37Å; N214-H218 PolarHBondContact O-N 2.93Å; N214-H218 VanDerWaalsContact O-N 3.1Å; N214-L258 HydrophobicContact CB-CD2 4.16Å; N214-W262 PolarHBondContact OD1-NE1 3.35Å
215D94.9Very high93.4Very high36 Ų3640.1 Ų40.119%0.19318%0.178CC..Hα-helixtrans-68-35.2176.9-169.739000111.4I168 K172 Y211 L212 H219I168-D215 HydrophobicContact CG2-CB 3.87Å; K172-D215 VanDerWaalsContact CD-OD2 3.29Å; K172-D215 WeakPolarHBondContact CD-OD2 3.49Å; K172-D215 VanDerWaalsContact CE-OD2 3.24Å; K172-D215 WeakPolarHBondContact CE-OD2 3.48Å; K172-D215 IonicContact NZ-OD1 3.63Å; K172-D215 PolarHBondContact NZ-OD1 3.37Å; K172-D215 IonicContact NZ-OD2 3.84Å; K172-D215 PolarHBondContact NZ-OD2 3.22Å; Y211-D215 PolarHBondContact O-N 2.69Å; Y211-D215 VanDerWaalsContact O-N 3.12Å; L212-D215 PolarHBondContact O-N 2.87Å; L212-D215 VanDerWaalsContact O-N 3.09Å; D215-H219 PolarHBondContact O-N 2.8Å; D215-H219 PolarHBondContact O-ND1 2.86Å; D215-H219 IonicContact OD1-CE1 2.68Å; D215-H219 PolarHBondContact OD1-CE1 3Å; D215-H219 IonicContact OD1-ND1 3.83Å; D215-H219 PolarHBondContact OD1-ND1 3.17Å; D215-H219 VanDerWaalsContact OD1-ND1 3.14Å
216V95.8Very high93.2Very high0 Ų046.1 Ų46.10%020%0.203CC..Hα-helixtrans-66-52.8174.1-179.60000110.8K172 M175 F176 L212 T213 N214 H218 H219 C220 L228 L232K172-V216 HydrophobicContact CB-CG2 3.94Å; K172-V216 HydrophobicContact CG-CG2 4.06Å; M175-V216 HydrophobicContact CE-CG1 4.2Å; M175-V216 HydrophobicContact CE-CG2 4.34Å; M175-V216 HydrophobicContact SD-CG2 3.81Å; F176-V216 HydrophobicContact CE2-CG1 3.95Å; F176-V216 HydrophobicContact CZ-CG1 4.47Å; L212-V216 HydrophobicContact CD1-CG2 3.98Å; L212-V216 HydrophobicContact CG-CG2 4.38Å; L212-V216 WeakPolarHBondContact O-CG2 3.42Å; L212-V216 PolarHBondContact O-N 2.72Å; T213-V216 PolarHBondContact O-N 3.1Å; N214-V216 VanDerWaalsContact C-N 3.33Å; V216-H218 VanDerWaalsContact C-N 3.34Å; V216-H218 PolarHBondContact O-N 3.16Å; V216-H219 CarbonylContact O-C 3.59Å; V216-H219 WeakPolarHBondContact O-CA 3.44Å; V216-H219 PolarHBondContact O-N 3.45Å; V216-C220 PolarHBondContact O-N 3.49Å; V216-C220 PolarHBondContact O-SG 2.63Å; V216-L228 HydrophobicContact CG1-CD2 3.81Å; V216-L228 HydrophobicContact CG1-CG 4.25Å; V216-L232 HydrophobicContact CB-CD1 4.2Å; V216-L232 HydrophobicContact CG1-CD1 3.59Å
217L93.6Very high93.1Very high1 Ų149 Ų491%0.00522%0.22CC..Hα-helixtrans-49.8-51176.7-77.7164.9000112.3T213 H219 C220 Q221 L229 L232 V236 F268T213-L217 HydrophobicContact CG2-CD1 3.84Å; T213-L217 HydrophobicContact CG2-CG 4.31Å; T213-L217 WeakPolarHBondContact O-CB 3.45Å; T213-L217 VanDerWaalsContact O-CG 3.24Å; T213-L217 WeakPolarHBondContact O-CG 3.28Å; T213-L217 PolarHBondContact O-N 3.16Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 3.02Å; L217-C220 WeakPolarHBondContact O-CB 3.25Å; L217-C220 PolarHBondContact O-N 3.42Å; L217-Q221 PolarHBondContact O-N 3.45Å; L217-Q221 VanDerWaalsContact O-N 3.13Å; L217-L229 HydrophobicContact CD2-CD1 3.82Å; L217-L232 HydrophobicContact CD2-CB 3.78Å; L217-L232 HydrophobicContact CD2-CD1 4.06Å; L217-L232 HydrophobicContact CG-CB 4.47Å; L217-L232 HydrophobicContact CG-CD1 4.13Å; L217-V236 HydrophobicContact CD1-CG2 4.2Å; L217-F268 HydrophobicContact CD1-CE2 4.45Å; L217-F268 HydrophobicContact CD1-CZ 3.73Å; L217-F268 HydrophobicContact CD2-CE1 4.21Å; L217-F268 HydrophobicContact CD2-CZ 4.01Å
218H91.4Very high93Very high58 Ų5849 Ų4927%0.26922%0.22SC..Hα-helixtrans-58.5-37177.9174.872.7000112.7N214 V216 R222 Y267N214-H218 WeakPolarHBondContact O-CB 3.37Å; N214-H218 PolarHBondContact O-N 2.93Å; N214-H218 VanDerWaalsContact O-N 3.1Å; V216-H218 VanDerWaalsContact C-N 3.34Å; V216-H218 PolarHBondContact O-N 3.16Å; H218-R222 PolarHBondContact CD2-NH2 3.25Å; H218-R222 PolarHBondContact CE1-NE 3.21Å; H218-R222 PolarHBondContact NE2-NE 3.04Å; H218-R222 PolarHBondContact NE2-NH2 3.02Å; H218-R222 PolarHBondContact O-N 2.78Å; H218-Y267 HydrophobicContact CB-CE2 4.47Å; H218-Y267 WeakPolarHBondContact CB-OH 3.45Å; H218-Y267 AromaticContact ND1-CZ 3.95Å; H218-Y267 PolarHBondContact ND1-OH 3.28Å
219H93.1Very high92.9Very high32 Ų3249.6 Ų49.615%0.14822%0.224CC..Hα-helixtrans-79.7-26.3175.9-72.577.5000112.7K172 F176 D215 V216 L217 R222 K223K172-H219 HydrophobicContact CD-CB 4.09Å; K172-H219 PolarHBondContact NZ-CE1 3.47Å; K172-H219 PolarHBondContact NZ-NE2 3.21Å; F176-H219 HydrophobicContact CE2-CB 3.67Å; F176-H219 HydrophobicContact CZ-CB 3.58Å; D215-H219 PolarHBondContact O-N 2.8Å; D215-H219 PolarHBondContact O-ND1 2.86Å; D215-H219 IonicContact OD1-CE1 2.68Å; D215-H219 PolarHBondContact OD1-CE1 3Å; D215-H219 IonicContact OD1-ND1 3.83Å; D215-H219 PolarHBondContact OD1-ND1 3.17Å; D215-H219 VanDerWaalsContact OD1-ND1 3.14Å; V216-H219 CarbonylContact O-C 3.59Å; V216-H219 WeakPolarHBondContact O-CA 3.44Å; V216-H219 PolarHBondContact O-N 3.45Å; L217-H219 VanDerWaalsContact C-N 3.26Å; L217-H219 PolarHBondContact O-N 3.02Å; H219-R222 PolarHBondContact NE2-NH2 3.3Å; H219-R222 PolarHBondContact O-N 3.25Å; H219-K223 VanDerWaalsContact O-CB 3.26Å; H219-K223 WeakPolarHBondContact O-CB 3.47Å; H219-K223 WeakPolarHBondContact O-CG 3.33Å; H219-K223 PolarHBondContact O-N 2.99Å
220C93.1Very high92.7Very high1 Ų152 Ų521%0.00724%0.243CC..Hα-helixtrans-65.4-48.2175.7-69.20000110.6F176 V216 L217 R222 K223 Q224 Q225 L229F176-C220 HydrophobicContact CZ-CB 4.48Å; V216-C220 PolarHBondContact O-N 3.49Å; V216-C220 PolarHBondContact O-SG 2.63Å; L217-C220 WeakPolarHBondContact O-CB 3.25Å; L217-C220 PolarHBondContact O-N 3.42Å; C220-R222 PolarHBondContact O-N 2.86Å; C220-K223 PolarHBondContact O-N 3.38Å; C220-Q224 WeakPolarHBondContact O-CA 3.46Å; C220-Q224 PolarHBondContact O-N 2.97Å; C220-Q225 PolarHBondContact O-N 2.88Å; C220-L229 HydrophobicContact CB-CB 4.13Å
221Q86.4Confident92.6Very high73 Ų7352.3 Ų52.334%0.34125%0.246SC..Hα-helixtrans-59.9-46.2176-161.4-166.246.400111L217 K223 Q224 G266L217-Q221 PolarHBondContact O-N 3.45Å; L217-Q221 VanDerWaalsContact O-N 3.13Å; Q221-K223 PolarHBondContact O-N 3.31Å; Q221-Q224 PolarHBondContact O-N 3.06Å; Q221-Q224 PolarHBondContact O-NE2 3.49Å; Q221-G266 PolarHBondContact NE2-O 2.8Å
222R87.9Confident92.6Very high155 Ų15548.7 Ų48.759%0.58523%0.232SC*.Hα-helixtrans-70.6-26.5178.5-76-157.1-71.3125-3.4115.2H218 H219 C220H218-R222 PolarHBondContact CD2-NH2 3.25Å; H218-R222 PolarHBondContact CE1-NE 3.21Å; H218-R222 PolarHBondContact NE2-NE 3.04Å; H218-R222 PolarHBondContact NE2-NH2 3.02Å; H218-R222 PolarHBondContact O-N 2.78Å; H219-R222 PolarHBondContact NE2-NH2 3.3Å; H219-R222 PolarHBondContact O-N 3.25Å; C220-R222 PolarHBondContact O-N 2.86Å
223K88.6Confident92.3Very high118 Ų11852 Ų5251%0.51325%0.247SC..Hα-helixtrans-98.41.7176.6-71.8-174171.6-176.20113.9F176 H219 C220 Q221 Q225F176-K223 HydrophobicContact CD1-CD 3.84Å; F176-K223 HydrophobicContact CE1-CB 4.32Å; F176-K223 HydrophobicContact CE1-CD 3.72Å; F176-K223 HydrophobicContact CZ-CD 4.46Å; H219-K223 VanDerWaalsContact O-CB 3.26Å; H219-K223 WeakPolarHBondContact O-CB 3.47Å; H219-K223 WeakPolarHBondContact O-CG 3.33Å; H219-K223 PolarHBondContact O-N 2.99Å; C220-K223 PolarHBondContact O-N 3.38Å; Q221-K223 PolarHBondContact O-N 3.31Å; K223-Q225 HydrophobicContact CB-CG 4.12Å; K223-Q225 PolarHBondContact O-N 3.1Å
224Q86.3Confident92.1Very high134 Ų13457.4 Ų57.463%0.62627%0.271SS*.THydrogen-bonded Turntrans53.934.6-174.2-68-69.6-3700113.7C220 Q221 K226C220-Q224 WeakPolarHBondContact O-CA 3.46Å; C220-Q224 PolarHBondContact O-N 2.97Å; Q221-Q224 PolarHBondContact O-N 3.06Å; Q221-Q224 PolarHBondContact O-NE2 3.49Å; Q224-K226 PolarHBondContact O-N 3.13Å
225Q90.3Very high92.1Very high73 Ų7356.2 Ų56.234%0.34127%0.265SS..  trans-83.481.5177.4-78.8-67.3-2900110.3F176 C220 K223 L228 L229F176-Q225 HydrophobicContact CD1-CG 4.14Å; F176-Q225 HydrophobicContact CE1-CB 4.03Å; F176-Q225 HydrophobicContact CE1-CG 3.81Å; C220-Q225 PolarHBondContact O-N 2.88Å; K223-Q225 HydrophobicContact CB-CG 4.12Å; K223-Q225 PolarHBondContact O-N 3.1Å; Q225-L228 HydrophobicContact CB-CB 4.5Å; Q225-L229 PolarHBondContact O-N 3.4Å
226K90.8Very high92.1Very high145 Ų14554.5 Ų54.563%0.6326%0.255SS*.Hα-helixtrans-63.4-45.9-172.4-61.3-173-177.4-175.10112.8Q224 L228 L229 A230Q224-K226 PolarHBondContact O-N 3.13Å; K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.36Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.03Å; K226-L229 VanDerWaalsContact O-N 3.13Å; K226-A230 WeakPolarHBondContact O-CB 3.47Å; K226-A230 PolarHBondContact O-N 2.94Å
227D94.1Very high92.1Very high73 Ų7355 Ų5539%0.3926%0.259SS..Hα-helixtrans-59.6-42.3-178.9-59.99.2000112P182 A231P182-D227 HydrophobicContact CB-CB 4.4Å; P182-D227 WeakPolarHBondContact CD-OD2 3.31Å; D227-A231 WeakPolarHBondContact O-CB 3.3Å; D227-A231 PolarHBondContact O-N 3.45Å
228L94.3Very high92.1Very high0 Ų055.1 Ų55.10%026%0.259CS..Hα-helixtrans-74.7-30.9177.7-170.258.4000112.2M175 F176 A179 C185 M188 V216 Q225 K226 L232M175-L228 HydrophobicContact CE-CD1 4.34Å; F176-L228 HydrophobicContact CE1-CD2 4.39Å; F176-L228 HydrophobicContact CE2-CD2 4.4Å; F176-L228 HydrophobicContact CZ-CD2 4.28Å; A179-L228 HydrophobicContact CB-CD2 4.27Å; C185-L228 HydrophobicContact CB-CB 4.4Å; C185-L228 HydrophobicContact CB-CD1 3.95Å; M188-L228 HydrophobicContact CE-CD1 4.31Å; V216-L228 HydrophobicContact CG1-CD2 3.81Å; V216-L228 HydrophobicContact CG1-CG 4.25Å; Q225-L228 HydrophobicContact CB-CB 4.5Å; K226-L228 VanDerWaalsContact C-N 3.32Å; K226-L228 PolarHBondContact O-N 3.36Å; L228-L232 HydrophobicContact CD1-CD1 4.49Å; L228-L232 HydrophobicContact CG-CD1 4.26Å; L228-L232 WeakPolarHBondContact O-CB 3.47Å; L228-L232 WeakPolarHBondContact O-CD1 3.34Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.19Å; L228-L232 VanDerWaalsContact O-N 3.17Å
229L93.1Very high92.3Very high40 Ų4052.4 Ų52.421%0.20925%0.246CC..Hα-helixtrans-65.2-49.1171.1-177.760000111.3L217 C220 Q225 K226 A231 L232 Q233L217-L229 HydrophobicContact CD2-CD1 3.82Å; C220-L229 HydrophobicContact CB-CB 4.13Å; Q225-L229 PolarHBondContact O-N 3.4Å; K226-L229 WeakPolarHBondContact O-CB 3.3Å; K226-L229 PolarHBondContact O-N 3.03Å; K226-L229 VanDerWaalsContact O-N 3.13Å; L229-A231 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 2.77Å; L229-L232 VanDerWaalsContact O-N 3.17Å; L229-Q233 HydrophobicContact CD1-CG 4.49Å; L229-Q233 WeakPolarHBondContact O-CG 3.44Å; L229-Q233 PolarHBondContact O-N 2.99Å
230A93Very high92.5Very high49 Ų4951 Ų5141%0.40524%0.24SC..Hα-helixtrans-62.8-42.9179.800000112.3K226 L232 Q233 K234K226-A230 WeakPolarHBondContact O-CB 3.47Å; K226-A230 PolarHBondContact O-N 2.94Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 2.99Å; A230-Q233 PolarHBondContact O-N 3.25Å; A230-K234 PolarHBondContact O-N 3.48Å
231A95.3Very high92.6Very high7 Ų751 Ų516%0.05824%0.24CC..Hα-helixtrans-60.9-36.9174.300000112.7C185 A189 D227 L229C185-A231 VanDerWaalsContact C-CB 3.47Å; C185-A231 HydrophobicContact CB-CB 3.69Å; C185-A231 WeakPolarHBondContact O-CB 3.25Å; A189-A231 HydrophobicContact CB-CB 4Å; A189-A231 VanDerWaalsContact CB-O 3.3Å; A189-A231 WeakPolarHBondContact CB-O 3.33Å; D227-A231 WeakPolarHBondContact O-CB 3.3Å; D227-A231 PolarHBondContact O-N 3.45Å; L229-A231 PolarHBondContact O-N 3.47Å
232L94.8Very high93Very high0 Ų049.1 Ų49.10%023%0.233CC..Hα-helixtrans-75-36.9176.4-69.6170.9000112.4A189 T213 V216 L217 L228 L229 A230 K234 V235 V236A189-L232 HydrophobicContact CB-CD2 4.08Å; T213-L232 HydrophobicContact CG2-CD2 4.31Å; V216-L232 HydrophobicContact CB-CD1 4.2Å; V216-L232 HydrophobicContact CG1-CD1 3.59Å; L217-L232 HydrophobicContact CD2-CB 3.78Å; L217-L232 HydrophobicContact CD2-CD1 4.06Å; L217-L232 HydrophobicContact CG-CB 4.47Å; L217-L232 HydrophobicContact CG-CD1 4.13Å; L228-L232 HydrophobicContact CD1-CD1 4.49Å; L228-L232 HydrophobicContact CG-CD1 4.26Å; L228-L232 WeakPolarHBondContact O-CB 3.47Å; L228-L232 WeakPolarHBondContact O-CD1 3.34Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.19Å; L228-L232 VanDerWaalsContact O-N 3.17Å; L229-L232 PolarHBondContact O-N 2.77Å; L229-L232 VanDerWaalsContact O-N 3.17Å; A230-L232 VanDerWaalsContact C-N 3.29Å; A230-L232 PolarHBondContact O-N 2.99Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.99Å; L232-V235 HydrophobicContact CD2-CG2 4.42Å; L232-V235 VanDerWaalsContact O-CG2 3.27Å; L232-V235 WeakPolarHBondContact O-CG2 3.39Å; L232-V235 PolarHBondContact O-N 3.36Å; L232-V236 VanDerWaalsContact O-CG2 3.26Å; L232-V236 WeakPolarHBondContact O-CG2 3.42Å; L232-V236 PolarHBondContact O-N 3.41Å
233Q91.3Very high93.3Very high70 Ų7041.7 Ų41.733%0.32721%0.205SC..Hα-helixtrans-56.4-45174.5-76.4170.9-37.900111.5L229 A230 V235 V236 F268L229-Q233 HydrophobicContact CD1-CG 4.49Å; L229-Q233 WeakPolarHBondContact O-CG 3.44Å; L229-Q233 PolarHBondContact O-N 2.99Å; A230-Q233 PolarHBondContact O-N 3.25Å; Q233-V235 PolarHBondContact O-N 2.87Å; Q233-V236 PolarHBondContact O-N 2.89Å; Q233-F268 HydrophobicContact CG-CD1 3.93Å; Q233-F268 HydrophobicContact CG-CE1 3.84Å
234K91.4Very high93.7Very high114 Ų11437.8 Ų37.850%0.49619%0.189SC..Hα-helixtrans-53.8-25.3174.5-74.1-170.5175.2-168.60114.9E186 A230 L232E186-K234 IonicContact OE2-NZ 3.9Å; E186-K234 PolarHBondContact OE2-NZ 2.96Å; A230-K234 PolarHBondContact O-N 3.48Å; L232-K234 VanDerWaalsContact C-N 3.33Å; L232-K234 PolarHBondContact O-N 2.99Å
235V95.1Very high94Very high2 Ų235.7 Ų35.71%0.01218%0.181CC..Hα-helixtrans-113.9-11.3-173.4-59.70000114.5A189 R193 L232 Q233 V237 P238 I239A189-V235 HydrophobicContact CB-CG1 4.34Å; A189-V235 HydrophobicContact CB-CG2 3.97Å; R193-V235 HydrophobicContact CB-CB 4.03Å; R193-V235 HydrophobicContact CB-CG1 3.94Å; R193-V235 HydrophobicContact CG-CB 4.39Å; R193-V235 HydrophobicContact CG-CG1 4.39Å; L232-V235 HydrophobicContact CD2-CG2 4.42Å; L232-V235 VanDerWaalsContact O-CG2 3.27Å; L232-V235 WeakPolarHBondContact O-CG2 3.39Å; L232-V235 PolarHBondContact O-N 3.36Å; Q233-V235 PolarHBondContact O-N 2.87Å; V235-V237 PolarHBondContact O-N 2.7Å; V235-P238 WeakPolarHBondContact O-CD 3.25Å; V235-P238 WeakPolarHBondContact O-CG 3.43Å; V235-I239 HydrophobicContact CB-CD1 3.85Å; V235-I239 HydrophobicContact CB-CG1 4.47Å; V235-I239 HydrophobicContact CG2-CD1 3.69Å; V235-I239 WeakPolarHBondContact O-CB 3.46Å; V235-I239 WeakPolarHBondContact O-CD1 3.28Å; V235-I239 WeakPolarHBondContact O-CG1 3.26Å; V235-I239 PolarHBondContact O-N 3.13Å
236V94.7Very high94.1Very high0 Ų035.1 Ų35.10%019%0.189CC..Hα-helixtrans-62.8-42.9-176.4154.60000112.7T213 L217 L232 Q233 I239 Y240 W262 F268 L276T213-V236 HydrophobicContact CG2-CG2 4.42Å; L217-V236 HydrophobicContact CD1-CG2 4.2Å; L232-V236 VanDerWaalsContact O-CG2 3.26Å; L232-V236 WeakPolarHBondContact O-CG2 3.42Å; L232-V236 PolarHBondContact O-N 3.41Å; Q233-V236 PolarHBondContact O-N 2.89Å; V236-I239 PolarHBondContact O-N 2.71Å; V236-Y240 VanDerWaalsContact O-CB 3.26Å; V236-Y240 WeakPolarHBondContact O-CB 3.24Å; V236-Y240 PolarHBondContact O-N 2.84Å; V236-W262 HydrophobicContact CG1-CE3 4.43Å; V236-W262 HydrophobicContact CG1-CZ3 3.96Å; V236-F268 HydrophobicContact CB-CE1 4.21Å; V236-F268 HydrophobicContact CB-CZ 4.12Å; V236-F268 HydrophobicContact CG1-CE1 4.06Å; V236-F268 HydrophobicContact CG1-CE2 4.04Å; V236-F268 HydrophobicContact CG1-CZ 3.71Å; V236-F268 HydrophobicContact CG2-CE1 3.96Å; V236-F268 HydrophobicContact CG2-CZ 3.65Å; V236-L276 HydrophobicContact CG1-CD1 3.97Å; V236-L276 HydrophobicContact CG1-CD2 4.08Å
237V95.1Very high94.1Very high11 Ų1129 Ų297%0.06716%0.163CC..Hα-helixtrans-60.3-57.4178.9179.80000112.1V235 I239 Y240 C241 T272 Q275 L276V235-V237 PolarHBondContact O-N 2.7Å; V237-I239 VanDerWaalsContact C-N 3.34Å; V237-I239 PolarHBondContact O-N 2.92Å; V237-Y240 PolarHBondContact O-N 3.28Å; V237-C241 VanDerWaalsContact O-CB 3.29Å; V237-C241 WeakPolarHBondContact O-CB 3.49Å; V237-C241 PolarHBondContact O-N 3.27Å; V237-C241 PolarHBondContact O-SG 3.28Å; V237-T272 HydrophobicContact CG2-CG2 4.24Å; V237-Q275 HydrophobicContact CG1-CB 4.38Å; V237-Q275 HydrophobicContact CG2-CB 4.38Å; V237-L276 HydrophobicContact CG2-CD2 4.37Å
238P95.1Very high93.8Very high3 Ų329.4 Ų29.42%0.01916%0.163CC..Hα-helixtrans-64.4-34.6177.624.1-34.3000113.4R193 T197 V235 T242 Y286R193-P238 HydrophobicContact CG-CG 4.34Å; T197-P238 HydrophobicContact CG2-CB 4.34Å; V235-P238 WeakPolarHBondContact O-CD 3.25Å; V235-P238 WeakPolarHBondContact O-CG 3.43Å; P238-T242 WeakPolarHBondContact O-CB 3.36Å; P238-T242 PolarHBondContact O-N 3.23Å; P238-T242 PolarHBondContact O-OG1 3.03Å; P238-T242 VanDerWaalsContact O-OG1 3.07Å; P238-Y286 HydrophobicContact CB-CD1 3.79Å; P238-Y286 HydrophobicContact CB-CE1 3.53Å; P238-Y286 HydrophobicContact CB-CE2 4.45Å; P238-Y286 HydrophobicContact CB-CG 4.34Å; P238-Y286 HydrophobicContact CG-CD1 4.22Å; P238-Y286 HydrophobicContact CG-CD2 4.23Å; P238-Y286 HydrophobicContact CG-CE1 3.82Å; P238-Y286 HydrophobicContact CG-CE2 3.86Å; P238-Y286 HydrophobicContact CG-CG 4.4Å
239I96Very high93.5Very high0 Ų035 Ų350%019%0.189CC..Hα-helixtrans-62.4-49.5176.1-78.4172.6000111.2R193 I196 I210 V235 V236 V237 S243R193-I239 HydrophobicContact CB-CD1 4.19Å; R193-I239 HydrophobicContact CB-CG1 4.19Å; R193-I239 HydrophobicContact CG-CG1 4.29Å; I196-I239 HydrophobicContact CB-CG1 4.49Å; I196-I239 HydrophobicContact CD1-CD1 4.05Å; I196-I239 HydrophobicContact CD1-CG1 4.04Å; I196-I239 HydrophobicContact CD1-CG2 3.78Å; I196-I239 HydrophobicContact CG2-CG2 4.27Å; I210-I239 HydrophobicContact CD1-CG2 4.08Å; I210-I239 HydrophobicContact CG1-CG2 3.55Å; V235-I239 HydrophobicContact CB-CD1 3.85Å; V235-I239 HydrophobicContact CB-CG1 4.47Å; V235-I239 HydrophobicContact CG2-CD1 3.69Å; V235-I239 WeakPolarHBondContact O-CB 3.46Å; V235-I239 WeakPolarHBondContact O-CD1 3.28Å; V235-I239 WeakPolarHBondContact O-CG1 3.26Å; V235-I239 PolarHBondContact O-N 3.13Å; V236-I239 PolarHBondContact O-N 2.71Å; V237-I239 VanDerWaalsContact C-N 3.34Å; V237-I239 PolarHBondContact O-N 2.92Å; I239-S243 WeakPolarHBondContact O-CB 3.46Å; I239-S243 PolarHBondContact O-N 3.24Å; I239-S243 PolarHBondContact O-OG 2.76Å
240Y96Very high93.2Very high3 Ų340.2 Ų40.21%0.01221%0.213CC..Hα-helixtrans-71.9-52.8-177.4178.2-87000111.2V236 V237 S243 F244 I255 L259 W262 L276 P279V236-Y240 VanDerWaalsContact O-CB 3.26Å; V236-Y240 WeakPolarHBondContact O-CB 3.24Å; V236-Y240 PolarHBondContact O-N 2.84Å; V237-Y240 PolarHBondContact O-N 3.28Å; Y240-S243 CarbonylContact O-C 3.49Å; Y240-S243 PolarHBondContact O-N 3.14Å; Y240-F244 HydrophobicContact CE1-CB 4.45Å; Y240-F244 HydrophobicContact CE1-CD2 4.44Å; Y240-F244 WeakPolarHBondContact O-CB 3.47Å; Y240-F244 PolarHBondContact O-N 3.18Å; Y240-I255 HydrophobicContact CD2-CG2 3.7Å; Y240-I255 HydrophobicContact CE1-CG2 4.5Å; Y240-I255 HydrophobicContact CE2-CG2 3.29Å; Y240-I255 HydrophobicContact CG-CG2 4.45Å; Y240-L259 HydrophobicContact CE1-CD2 4.35Å; Y240-L259 HydrophobicContact CE2-CB 3.78Å; Y240-L259 WeakPolarHBondContact OH-CB 3.43Å; Y240-L259 WeakPolarHBondContact OH-CD2 3.34Å; Y240-W262 HydrophobicContact CD2-CH2 4.03Å; Y240-W262 AromaticContact CD2-CZ3 3.62Å; Y240-W262 HydrophobicContact CD2-CZ3 3.62Å; Y240-W262 HydrophobicContact CE2-CZ3 4.38Å; Y240-W262 HydrophobicContact CG-CZ3 4.2Å; Y240-L276 HydrophobicContact CD1-CB 4.25Å; Y240-L276 HydrophobicContact CD1-CD2 3.54Å; Y240-L276 HydrophobicContact CD2-CD2 4.49Å; Y240-L276 HydrophobicContact CE1-CB 4.32Å; Y240-L276 HydrophobicContact CE1-CD2 4.41Å; Y240-L276 VanDerWaalsContact CE1-O 3.26Å; Y240-L276 WeakPolarHBondContact CE1-O 3.18Å; Y240-L276 HydrophobicContact CG-CD2 3.61Å; Y240-P279 HydrophobicContact CE1-CG 4.27Å
241C95.7Very high93Very high0 Ų041.1 Ų41.10%021%0.207CC..Hα-helixtrans-68.9-41.2-169.8-60.60000112V237 S243 F244 L245 P279 I283V237-C241 VanDerWaalsContact O-CB 3.29Å; V237-C241 WeakPolarHBondContact O-CB 3.49Å; V237-C241 PolarHBondContact O-N 3.27Å; V237-C241 PolarHBondContact O-SG 3.28Å; C241-S243 VanDerWaalsContact C-N 3.33Å; C241-S243 PolarHBondContact O-N 2.89Å; C241-F244 PolarHBondContact O-N 3.41Å; C241-L245 WeakPolarHBondContact O-CB 3.42Å; C241-L245 VanDerWaalsContact O-CG 3.27Å; C241-L245 WeakPolarHBondContact O-CG 2.82Å; C241-L245 PolarHBondContact O-N 3.44Å; C241-P279 HydrophobicContact CB-CB 3.96Å; C241-I283 HydrophobicContact CB-CD1 3.72Å; C241-I283 HydrophobicContact CB-CG1 3.61Å
242T94.2Very high92.9Very high34 Ų3442.9 Ų42.921%0.20921%0.214CC..Hα-helixtrans-63.7-39.2172.7-58.40000111.4P238 F244 A246 I283P238-T242 WeakPolarHBondContact O-CB 3.36Å; P238-T242 PolarHBondContact O-N 3.23Å; P238-T242 PolarHBondContact O-OG1 3.03Å; P238-T242 VanDerWaalsContact O-OG1 3.07Å; T242-F244 VanDerWaalsContact C-N 3.32Å; T242-F244 PolarHBondContact O-N 3.36Å; T242-A246 VanDerWaalsContact O-CB 3.25Å; T242-A246 WeakPolarHBondContact O-CB 3.37Å; T242-A246 PolarHBondContact O-N 3.17Å; T242-A246 VanDerWaalsContact O-N 3.12Å; T242-I283 WeakPolarHBondContact OG1-CD1 3.47Å
243S95.3Very high92.8Very high0 Ų048 Ų480%024%0.238CC..Hα-helixtrans-69.4-28177-60.10000113.5I196 I239 Y240 C241 V247 I255I196-S243 VanDerWaalsContact CG2-OG 3.25Å; I196-S243 WeakPolarHBondContact CG2-OG 3.21Å; I239-S243 WeakPolarHBondContact O-CB 3.46Å; I239-S243 PolarHBondContact O-N 3.24Å; I239-S243 PolarHBondContact O-OG 2.76Å; Y240-S243 CarbonylContact O-C 3.49Å; Y240-S243 PolarHBondContact O-N 3.14Å; C241-S243 VanDerWaalsContact C-N 3.33Å; C241-S243 PolarHBondContact O-N 2.89Å; S243-V247 WeakPolarHBondContact O-CG2 3.45Å; S243-I255 WeakPolarHBondContact O-CD1 3.38Å
244F95.3Very high92.7Very high36 Ų3648.2 Ų48.216%0.15824%0.238CC..Hα-helixtrans-76.7-50.3175.3-173.6-80.6000111.4Y240 C241 T242 A246 V247 Q252 I255 P279Y240-F244 HydrophobicContact CE1-CB 4.45Å; Y240-F244 HydrophobicContact CE1-CD2 4.44Å; Y240-F244 WeakPolarHBondContact O-CB 3.47Å; Y240-F244 PolarHBondContact O-N 3.18Å; C241-F244 PolarHBondContact O-N 3.41Å; T242-F244 VanDerWaalsContact C-N 3.32Å; T242-F244 PolarHBondContact O-N 3.36Å; F244-A246 PolarHBondContact O-N 3.31Å; F244-V247 PolarHBondContact O-N 3.01Å; F244-Q252 HydrophobicContact CD1-CG 4.41Å; F244-Q252 HydrophobicContact CD2-CB 4.23Å; F244-Q252 HydrophobicContact CD2-CG 4.23Å; F244-Q252 HydrophobicContact CE1-CG 4.19Å; F244-Q252 HydrophobicContact CE2-CB 3.75Å; F244-Q252 HydrophobicContact CE2-CG 4Å; F244-Q252 HydrophobicContact CG-CG 4.42Å; F244-Q252 HydrophobicContact CZ-CB 4.02Å; F244-Q252 HydrophobicContact CZ-CG 3.97Å; F244-Q252 VanDerWaalsContact CZ-OE1 3.24Å; F244-I255 HydrophobicContact CB-CG2 4.35Å; F244-I255 HydrophobicContact CD2-CB 4.49Å; F244-I255 HydrophobicContact CD2-CG2 4.08Å; F244-P279 HydrophobicContact CB-CB 4.43Å; F244-P279 HydrophobicContact CB-CG 4.31Å; F244-P279 HydrophobicContact CD1-CB 4.04Å; F244-P279 HydrophobicContact CD1-CG 3.68Å; F244-P279 HydrophobicContact CE1-CG 4.12Å; F244-P279 HydrophobicContact CG-CB 4.42Å; F244-P279 HydrophobicContact CG-CG 3.92Å
245L93.1Very high92.8Very high90 Ų9042.8 Ų42.847%0.47122%0.215SC..Hα-helixtrans-67.6-34.9-175-68.9169.3000112.9C241 V247 P279 I283C241-L245 WeakPolarHBondContact O-CB 3.42Å; C241-L245 VanDerWaalsContact O-CG 3.27Å; C241-L245 WeakPolarHBondContact O-CG 2.82Å; C241-L245 PolarHBondContact O-N 3.44Å; L245-V247 PolarHBondContact O-N 3.28Å; L245-V247 VanDerWaalsContact O-N 3.15Å; L245-P279 HydrophobicContact CD1-CB 4.34Å; L245-P279 HydrophobicContact CD2-CB 4.12Å; L245-P279 HydrophobicContact CG-CB 3.98Å; L245-I283 HydrophobicContact CD1-CG1 3.94Å
246A91.9Very high92.8Very high60 Ų6045 Ų4550%0.49623%0.228SC..THydrogen-bonded Turntrans-81.920.8-179.100000114.1R206 T242 F244R206-A246 VanDerWaalsContact NH1-CB 3.27Å; T242-A246 VanDerWaalsContact O-CB 3.25Å; T242-A246 WeakPolarHBondContact O-CB 3.37Å; T242-A246 PolarHBondContact O-N 3.17Å; T242-A246 VanDerWaalsContact O-N 3.12Å; F244-A246 PolarHBondContact O-N 3.31Å
247V91.9Very high92.7Very high17 Ų1752.6 Ų52.610%0.10326%0.257CS..SBendtrans-145.9142.9-168.1177.40000111.9F203 S243 F244 L245 K251 Q252F203-V247 HydrophobicContact CD2-CB 4.46Å; F203-V247 HydrophobicContact CD2-CG1 3.79Å; F203-V247 HydrophobicContact CD2-CG2 3.72Å; F203-V247 HydrophobicContact CE2-CG1 3.88Å; F203-V247 HydrophobicContact CE2-CG2 4.38Å; S243-V247 WeakPolarHBondContact O-CG2 3.45Å; F244-V247 PolarHBondContact O-N 3.01Å; L245-V247 PolarHBondContact O-N 3.28Å; L245-V247 VanDerWaalsContact O-N 3.15Å; V247-K251 HydrophobicContact CG1-CB 3.31Å; V247-K251 HydrophobicContact CG1-CD 3.9Å; V247-K251 HydrophobicContact CG1-CG 4.29Å; V247-Q252 PolarHBondContact O-NE2 3.39Å
248E88.2Confident92.6Very high81 Ų8152.5 Ų52.538%0.37926%0.255SS..  trans-71.9151.7179.6-53.9157141.800113E250 K251 Q252 K858E248-E250 PolarHBondContact O-N 3.44Å; E248-K251 WeakPolarHBondContact O-CB 3.46Å; E248-K251 PolarHBondContact O-N 2.96Å; E248-K251 IonicContact OE2-NZ 3.81Å; E248-K251 PolarHBondContact OE2-NZ 2.68Å; E248-Q252 PolarHBondContact O-N 2.77Å; E248-Q252 VanDerWaalsContact O-N 3.08Å; E248-K858 WeakPolarHBondContact OE1-CE 3.5Å; E248-K858 IonicContact OE1-NZ 2.78Å; E248-K858 PolarHBondContact OE1-NZ 3Å; E248-K858 IonicContact OE2-NZ 2.71Å; E248-K858 PolarHBondContact OE2-NZ 3.26Å
249E87.3Confident92.5Very high118 Ų11852.9 Ų52.955%0.55126%0.257SS*.Hα-helixtrans-53.2-42.3-171-169179.5-173.500115.2K251 Q252 Q253E249-K251 PolarHBondContact O-N 2.82Å; E249-Q252 WeakPolarHBondContact O-CB 3.47Å; E249-Q252 PolarHBondContact O-N 3.46Å; E249-Q252 VanDerWaalsContact O-N 3.12Å; E249-Q253 PolarHBondContact O-N 2.87Å
250E86.8Confident92.4Very high150 Ų15058.4 Ų58.470%0.70128%0.283SS*.Hα-helixtrans-49.5-35.6175.9-63.4-175.5130.900112.9E248E248-E250 PolarHBondContact O-N 3.44Å
251K89.4Confident92.2Very high68 Ų6861.4 Ų61.430%0.29630%0.299SS..Hα-helixtrans-95.8-30.2-176.1-71.5165.6-173.3150.80112.1F203 V247 E248 E249 Q253 K254F203-K251 HydrophobicContact CD1-CB 4.45Å; F203-K251 HydrophobicContact CD1-CD 3.83Å; F203-K251 HydrophobicContact CD1-CG 4.1Å; F203-K251 HydrophobicContact CD2-CB 4.44Å; F203-K251 HydrophobicContact CE1-CB 3.88Å; F203-K251 HydrophobicContact CE1-CD 3.99Å; F203-K251 HydrophobicContact CE1-CG 3.72Å; F203-K251 HydrophobicContact CE2-CB 3.88Å; F203-K251 HydrophobicContact CG-CD 4.09Å; F203-K251 HydrophobicContact CZ-CB 3.56Å; F203-K251 HydrophobicContact CZ-CD 4.41Å; F203-K251 HydrophobicContact CZ-CG 3.96Å; V247-K251 HydrophobicContact CG1-CB 3.31Å; V247-K251 HydrophobicContact CG1-CD 3.9Å; V247-K251 HydrophobicContact CG1-CG 4.29Å; E248-K251 WeakPolarHBondContact O-CB 3.46Å; E248-K251 PolarHBondContact O-N 2.96Å; E248-K251 IonicContact OE2-NZ 3.81Å; E248-K251 PolarHBondContact OE2-NZ 2.68Å; E249-K251 PolarHBondContact O-N 2.82Å; K251-Q253 PolarHBondContact O-N 2.94Å; K251-K254 WeakPolarHBondContact O-CB 3.44Å; K251-K254 PolarHBondContact O-N 3.46Å
252Q92.6Very high92.1Very high44 Ų4461.5 Ų61.521%0.20630%0.299CS..Hα-helixtrans-52.1-37.1173.9-72.51761.500111.2F244 V247 E248 E249 K254 I255 T256F244-Q252 HydrophobicContact CD1-CG 4.41Å; F244-Q252 HydrophobicContact CD2-CB 4.23Å; F244-Q252 HydrophobicContact CD2-CG 4.23Å; F244-Q252 HydrophobicContact CE1-CG 4.19Å; F244-Q252 HydrophobicContact CE2-CB 3.75Å; F244-Q252 HydrophobicContact CE2-CG 4Å; F244-Q252 HydrophobicContact CG-CG 4.42Å; F244-Q252 HydrophobicContact CZ-CB 4.02Å; F244-Q252 HydrophobicContact CZ-CG 3.97Å; F244-Q252 VanDerWaalsContact CZ-OE1 3.24Å; V247-Q252 PolarHBondContact O-NE2 3.39Å; E248-Q252 PolarHBondContact O-N 2.77Å; E248-Q252 VanDerWaalsContact O-N 3.08Å; E249-Q252 WeakPolarHBondContact O-CB 3.47Å; E249-Q252 PolarHBondContact O-N 3.46Å; E249-Q252 VanDerWaalsContact O-N 3.12Å; Q252-K254 PolarHBondContact O-N 3.01Å; Q252-K254 VanDerWaalsContact O-N 3.11Å; Q252-I255 CarbonylContact O-C 3.13Å; Q252-I255 WeakPolarHBondContact O-CA 3.38Å; Q252-I255 WeakPolarHBondContact O-CB 3.32Å; Q252-I255 PolarHBondContact O-N 3.33Å; Q252-T256 PolarHBondContact O-N 3.47Å; Q252-T256 PolarHBondContact O-OG1 3.38Å; Q252-T256 VanDerWaalsContact O-OG1 3.08Å
253Q91.9Very high92Very high107 Ų10764.5 Ų64.550%0.531%0.311SS..Hα-helixtrans-53.9-31.2174.5-62.1-169.515.800114.8E249 K251 I255 R257E249-Q253 PolarHBondContact O-N 2.87Å; K251-Q253 PolarHBondContact O-N 2.94Å; Q253-I255 VanDerWaalsContact C-N 3.29Å; Q253-R257 WeakPolarHBondContact O-CD 3.43Å; Q253-R257 VanDerWaalsContact O-CG 3.25Å; Q253-R257 WeakPolarHBondContact O-CG 3.45Å; Q253-R257 PolarHBondContact O-N 3.17Å
254K90.5Very high91.9Very high75 Ų7572.8 Ų72.833%0.32635%0.347SS..Hα-helixtrans-68.2-32174.4-63-164.1-161.9170.70111.5F203 E204 L207 K251 Q252F203-K254 HydrophobicContact CE1-CD 4.06Å; F203-K254 HydrophobicContact CZ-CB 4.33Å; F203-K254 HydrophobicContact CZ-CD 3.86Å; F203-K254 HydrophobicContact CZ-CG 4.36Å; E204-K254 IonicContact OE1-NZ 3.14Å; E204-K254 PolarHBondContact OE1-NZ 2.82Å; E204-K254 IonicContact OE2-NZ 2.99Å; E204-K254 PolarHBondContact OE2-NZ 2.58Å; L207-K254 HydrophobicContact CD1-CB 3.97Å; L207-K254 HydrophobicContact CD1-CD 4.45Å; L207-K254 HydrophobicContact CD2-CB 4.46Å; L207-K254 HydrophobicContact CD2-CD 3.43Å; L207-K254 VanDerWaalsContact CD2-CD 3.43Å; K251-K254 WeakPolarHBondContact O-CB 3.44Å; K251-K254 PolarHBondContact O-N 3.46Å; Q252-K254 PolarHBondContact O-N 3.01Å; Q252-K254 VanDerWaalsContact O-N 3.11Å
255I93.4Very high91.6Very high0 Ų073.9 Ų73.90%036%0.355CS..Hα-helixtrans-81.5-45.6179.8-64.1176.3000110.3F203 L207 Y240 S243 F244 Q252 Q253 R257 L258 L259F203-I255 HydrophobicContact CE2-CD1 4.05Å; F203-I255 HydrophobicContact CE2-CG1 4.39Å; L207-I255 HydrophobicContact CD1-CG1 4.27Å; Y240-I255 HydrophobicContact CD2-CG2 3.7Å; Y240-I255 HydrophobicContact CE1-CG2 4.5Å; Y240-I255 HydrophobicContact CE2-CG2 3.29Å; Y240-I255 HydrophobicContact CG-CG2 4.45Å; S243-I255 WeakPolarHBondContact O-CD1 3.38Å; F244-I255 HydrophobicContact CB-CG2 4.35Å; F244-I255 HydrophobicContact CD2-CB 4.49Å; F244-I255 HydrophobicContact CD2-CG2 4.08Å; Q252-I255 CarbonylContact O-C 3.13Å; Q252-I255 WeakPolarHBondContact O-CA 3.38Å; Q252-I255 WeakPolarHBondContact O-CB 3.32Å; Q252-I255 PolarHBondContact O-N 3.33Å; Q253-I255 VanDerWaalsContact C-N 3.29Å; I255-R257 PolarHBondContact O-N 2.92Å; I255-L258 VanDerWaalsContact O-CB 3.31Å; I255-L258 WeakPolarHBondContact O-CB 3.25Å; I255-L258 PolarHBondContact O-N 3.16Å; I255-L259 PolarHBondContact O-N 3.02Å
256T93.4Very high91.3Very high47 Ų4771.9 Ų71.929%0.28836%0.355SS..Hα-helixtrans-56.8-34.8177.1-42.40000112.9Q252 L258 L259 Q260Q252-T256 PolarHBondContact O-N 3.47Å; Q252-T256 PolarHBondContact O-OG1 3.38Å; Q252-T256 VanDerWaalsContact O-OG1 3.08Å; T256-L258 PolarHBondContact O-N 2.96Å; T256-L259 PolarHBondContact O-N 3.34Å; T256-Q260 WeakPolarHBondContact O-CG 3.27Å; T256-Q260 PolarHBondContact O-N 2.85Å
257R93.5Very high91Very high161 Ų16169.8 Ų69.861%0.60834%0.335SS*.Hα-helixtrans-63.7-22.9175.2-73.2171.8-163.9-169.97113.7Q253 I255 L261Q253-R257 WeakPolarHBondContact O-CD 3.43Å; Q253-R257 VanDerWaalsContact O-CG 3.25Å; Q253-R257 WeakPolarHBondContact O-CG 3.45Å; Q253-R257 PolarHBondContact O-N 3.17Å; I255-R257 PolarHBondContact O-N 2.92Å; R257-L261 WeakPolarHBondContact O-CB 3.45Å; R257-L261 PolarHBondContact O-N 2.76Å
258L93.3Very high90.9Very high8 Ų869.9 Ų69.94%0.04233%0.334CS..Hα-helixtrans-78.7-42173.5-70155000111L207 I210 Y211 N214 I255 T256 Q260 L261 W262L207-L258 HydrophobicContact CD1-CD1 4.48Å; I210-L258 HydrophobicContact CB-CD1 4.47Å; I210-L258 HydrophobicContact CG2-CD1 3.59Å; Y211-L258 HydrophobicContact CD1-CD1 3.93Å; Y211-L258 HydrophobicContact CD1-CD2 3.86Å; Y211-L258 HydrophobicContact CD1-CG 4.39Å; Y211-L258 HydrophobicContact CE1-CD1 3.69Å; Y211-L258 HydrophobicContact CE1-CD2 3.95Å; Y211-L258 HydrophobicContact CE1-CG 4.1Å; N214-L258 HydrophobicContact CB-CD2 4.16Å; I255-L258 VanDerWaalsContact O-CB 3.31Å; I255-L258 WeakPolarHBondContact O-CB 3.25Å; I255-L258 PolarHBondContact O-N 3.16Å; T256-L258 PolarHBondContact O-N 2.96Å; L258-Q260 PolarHBondContact O-N 3.25Å; L258-L261 WeakPolarHBondContact O-CA 3.17Å; L258-L261 WeakPolarHBondContact O-CB 3.41Å; L258-L261 PolarHBondContact O-N 3.24Å; L258-W262 HydrophobicContact CB-CZ2 4.12Å; L258-W262 PolarHBondContact O-N 3.07Å
259L93.8Very high91.1Very high11 Ų1169.6 Ų69.66%0.05834%0.335CS..Hα-helixtrans-58.2-48.1173.1176.955.1000111.3Y240 I255 T256 L261 W262 E263 I273 L276 Q277Y240-L259 HydrophobicContact CE1-CD2 4.35Å; Y240-L259 HydrophobicContact CE2-CB 3.78Å; Y240-L259 WeakPolarHBondContact OH-CB 3.43Å; Y240-L259 WeakPolarHBondContact OH-CD2 3.34Å; I255-L259 PolarHBondContact O-N 3.02Å; T256-L259 PolarHBondContact O-N 3.34Å; L259-L261 PolarHBondContact O-N 3.16Å; L259-W262 PolarHBondContact O-N 3.46Å; L259-E263 WeakPolarHBondContact O-CB 3.47Å; L259-E263 PolarHBondContact O-N 3.42Å; L259-I273 HydrophobicContact CD1-CD1 4.05Å; L259-L276 HydrophobicContact CD1-CB 3.59Å; L259-L276 HydrophobicContact CD1-CD1 3.96Å; L259-L276 HydrophobicContact CD1-CG 4.43Å; L259-L276 HydrophobicContact CD2-CB 4.09Å; L259-L276 HydrophobicContact CG-CB 4.48Å; L259-Q277 HydrophobicContact CD2-CG 4.03Å
260Q92.9Very high91.2Very high117 Ų11770.9 Ų70.955%0.54735%0.346SS..Hα-helixtrans-58.4-30174.5-70.3175.9-12.400113.3T256 L258 K264T256-Q260 WeakPolarHBondContact O-CG 3.27Å; T256-Q260 PolarHBondContact O-N 2.85Å; L258-Q260 PolarHBondContact O-N 3.25Å; Q260-K264 WeakPolarHBondContact O-CB 3.48Å; Q260-K264 PolarHBondContact O-N 2.93Å
261L92.3Very high91.4Very high66 Ų6669.7 Ų69.735%0.34634%0.34SS..Hα-helixtrans-76.6-37.1175.1-177.166.9000111.6R257 L258 L259 N265R257-L261 WeakPolarHBondContact O-CB 3.45Å; R257-L261 PolarHBondContact O-N 2.76Å; L258-L261 WeakPolarHBondContact O-CA 3.17Å; L258-L261 WeakPolarHBondContact O-CB 3.41Å; L258-L261 PolarHBondContact O-N 3.24Å; L259-L261 PolarHBondContact O-N 3.16Å; L261-N265 VanDerWaalsContact CD1-ND2 3.29Å; L261-N265 WeakPolarHBondContact CD1-ND2 3.35Å; L261-N265 VanDerWaalsContact O-CB 3.29Å; L261-N265 WeakPolarHBondContact O-CB 3.22Å; L261-N265 PolarHBondContact O-N 3.05Å; L261-N265 PolarHBondContact O-ND2 3.37Å
262W92.9Very high91.5Very high1 Ų167.5 Ų67.50%0.00433%0.332CS..Hα-helixtrans-73.2-43.8-179.7-60.9-16.9000112.4I210 N214 V236 Y240 L258 L259 N265 G266 Y267 F268 L276I210-W262 HydrophobicContact CG2-CH2 4Å; I210-W262 HydrophobicContact CG2-CZ2 3.93Å; N214-W262 PolarHBondContact OD1-NE1 3.35Å; V236-W262 HydrophobicContact CG1-CE3 4.43Å; V236-W262 HydrophobicContact CG1-CZ3 3.96Å; Y240-W262 HydrophobicContact CD2-CH2 4.03Å; Y240-W262 AromaticContact CD2-CZ3 3.62Å; Y240-W262 HydrophobicContact CD2-CZ3 3.62Å; Y240-W262 HydrophobicContact CE2-CZ3 4.38Å; Y240-W262 HydrophobicContact CG-CZ3 4.2Å; L258-W262 HydrophobicContact CB-CZ2 4.12Å; L258-W262 PolarHBondContact O-N 3.07Å; L259-W262 PolarHBondContact O-N 3.46Å; W262-N265 PolarHBondContact O-N 3.23Å; W262-G266 PolarHBondContact O-N 2.97Å; W262-G266 VanDerWaalsContact O-N 3.1Å; W262-Y267 HydrophobicContact CB-CD2 4.26Å; W262-Y267 AromaticContact CD1-CD2 3.57Å; W262-Y267 AromaticContact CD1-CE2 3.89Å; W262-Y267 HydrophobicContact CG-CD2 4.14Å; W262-Y267 PolarHBondContact O-N 3.11Å; W262-F268 HydrophobicContact CB-CD2 3.89Å; W262-F268 HydrophobicContact CB-CE2 3.77Å; W262-F268 AromaticContact CD2-CE2 3.76Å; W262-F268 HydrophobicContact CD2-CE2 3.76Å; W262-F268 HydrophobicContact CE3-CD2 4.47Å; W262-F268 AromaticContact CE3-CE2 3.78Å; W262-F268 HydrophobicContact CE3-CE2 3.78Å; W262-F268 HydrophobicContact CG-CD2 4.39Å; W262-F268 AromaticContact CG-CE2 3.78Å; W262-F268 HydrophobicContact CG-CE2 3.78Å; W262-L276 HydrophobicContact CE3-CD1 4.19Å; W262-L276 HydrophobicContact CZ3-CD1 4.42Å
263E92.4Very high91.6Very high98 Ų9865.9 Ų65.946%0.45833%0.325SS..Hα-helixtrans-56.6-56.7171.3-179.4-178.1-175.400110.4L259 N265 G266 I273L259-E263 WeakPolarHBondContact O-CB 3.47Å; L259-E263 PolarHBondContact O-N 3.42Å; E263-N265 PolarHBondContact O-N 2.95Å; E263-N265 VanDerWaalsContact O-N 3.12Å; E263-G266 PolarHBondContact O-N 3.44Å; E263-G266 VanDerWaalsContact O-N 3.14Å; E263-I273 HydrophobicContact CB-CD1 4.17Å; E263-I273 HydrophobicContact CG-CG2 4.32Å
264K92.4Very high91.6Very high173 Ų17366.2 Ų66.275%0.75233%0.327SS*.Hα-helixtrans-58-30.3-179.8178.5175.4177.1179.30114.2Q260Q260-K264 WeakPolarHBondContact O-CB 3.48Å; Q260-K264 PolarHBondContact O-N 2.93Å
265N88.8Confident91.6Very high60 Ų6064 Ų6432%0.32132%0.317SS..THydrogen-bonded Turntrans-98.7-0.7-176.6-62.5-26.7000113.7L261 W262 E263 Y267L261-N265 VanDerWaalsContact CD1-ND2 3.29Å; L261-N265 WeakPolarHBondContact CD1-ND2 3.35Å; L261-N265 VanDerWaalsContact O-CB 3.29Å; L261-N265 WeakPolarHBondContact O-CB 3.22Å; L261-N265 PolarHBondContact O-N 3.05Å; L261-N265 PolarHBondContact O-ND2 3.37Å; W262-N265 PolarHBondContact O-N 3.23Å; E263-N265 PolarHBondContact O-N 2.95Å; E263-N265 VanDerWaalsContact O-N 3.12Å; N265-Y267 HydrophobicContact CB-CD1 3.82Å; N265-Y267 HydrophobicContact CB-CE1 3.39Å; N265-Y267 HydrophobicContact CB-CE2 4.15Å; N265-Y267 HydrophobicContact CB-CG 4.36Å; N265-Y267 PolarHBondContact ND2-OH 3.2Å; N265-Y267 VanDerWaalsContact ND2-OH 3.17Å; N265-Y267 PolarHBondContact O-N 3.19Å
266G87.5Confident91.6Very high47 Ų4764 Ų6449%0.48532%0.318SS..THydrogen-bonded Turntrans58.246.6179.800000113.3Q221 W262 E263Q221-G266 PolarHBondContact NE2-O 2.8Å; W262-G266 PolarHBondContact O-N 2.97Å; W262-G266 VanDerWaalsContact O-N 3.1Å; E263-G266 PolarHBondContact O-N 3.44Å; E263-G266 VanDerWaalsContact O-N 3.14Å
267Y85.6Confident91.6Very high17 Ų1766.4 Ų66.47%0.06733%0.325CS..  trans-80.6-20.7175.8-64.5-16000113.2H218 W262 N265H218-Y267 HydrophobicContact CB-CE2 4.47Å; H218-Y267 WeakPolarHBondContact CB-OH 3.45Å; H218-Y267 AromaticContact ND1-CZ 3.95Å; H218-Y267 PolarHBondContact ND1-OH 3.28Å; W262-Y267 HydrophobicContact CB-CD2 4.26Å; W262-Y267 AromaticContact CD1-CD2 3.57Å; W262-Y267 AromaticContact CD1-CE2 3.89Å; W262-Y267 HydrophobicContact CG-CD2 4.14Å; W262-Y267 PolarHBondContact O-N 3.11Å; N265-Y267 HydrophobicContact CB-CD1 3.82Å; N265-Y267 HydrophobicContact CB-CE1 3.39Å; N265-Y267 HydrophobicContact CB-CE2 4.15Å; N265-Y267 HydrophobicContact CB-CG 4.36Å; N265-Y267 PolarHBondContact ND2-OH 3.2Å; N265-Y267 VanDerWaalsContact ND2-OH 3.17Å; N265-Y267 PolarHBondContact O-N 3.19Å
268F90.9Very high91.6Very high18 Ų1863.1 Ų63.18%0.07932%0.32CS..SBendtrans-134.5157.3-178.2-52.3-68.4000109.8L217 Q233 V236 W262 T272 I273 L276L217-F268 HydrophobicContact CD1-CE2 4.45Å; L217-F268 HydrophobicContact CD1-CZ 3.73Å; L217-F268 HydrophobicContact CD2-CE1 4.21Å; L217-F268 HydrophobicContact CD2-CZ 4.01Å; Q233-F268 HydrophobicContact CG-CD1 3.93Å; Q233-F268 HydrophobicContact CG-CE1 3.84Å; V236-F268 HydrophobicContact CB-CE1 4.21Å; V236-F268 HydrophobicContact CB-CZ 4.12Å; V236-F268 HydrophobicContact CG1-CE1 4.06Å; V236-F268 HydrophobicContact CG1-CE2 4.04Å; V236-F268 HydrophobicContact CG1-CZ 3.71Å; V236-F268 HydrophobicContact CG2-CE1 3.96Å; V236-F268 HydrophobicContact CG2-CZ 3.65Å; W262-F268 HydrophobicContact CB-CD2 3.89Å; W262-F268 HydrophobicContact CB-CE2 3.77Å; W262-F268 AromaticContact CD2-CE2 3.76Å; W262-F268 HydrophobicContact CD2-CE2 3.76Å; W262-F268 HydrophobicContact CE3-CD2 4.47Å; W262-F268 AromaticContact CE3-CE2 3.78Å; W262-F268 HydrophobicContact CE3-CE2 3.78Å; W262-F268 HydrophobicContact CG-CD2 4.39Å; W262-F268 AromaticContact CG-CE2 3.78Å; W262-F268 HydrophobicContact CG-CE2 3.78Å; F268-T272 HydrophobicContact CB-CG2 3.79Å; F268-T272 HydrophobicContact CD1-CG2 4.01Å; F268-T272 HydrophobicContact CG-CG2 3.92Å; F268-I273 HydrophobicContact CB-CD1 4.04Å; F268-I273 HydrophobicContact CB-CG1 4.15Å; F268-I273 HydrophobicContact CD2-CD1 4.14Å; F268-L276 HydrophobicContact CD2-CD1 4.43Å
269D90.9Very high91.6Very high76 Ų7663.4 Ų63.441%0.40632%0.322SS..  trans-67.9159.9168.152.3-77000112.6E271 T272 I273D269-E271 VanDerWaalsContact C-N 3.26Å; D269-E271 PolarHBondContact O-N 2.98Å; D269-T272 VanDerWaalsContact CG-OG1 3.29Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-T272 PolarHBondContact OD1-OG1 3.45Å; D269-T272 VanDerWaalsContact OD2-CB 3.31Å; D269-T272 WeakPolarHBondContact OD2-CB 3.19Å; D269-T272 PolarHBondContact OD2-N 3.07Å; D269-T272 PolarHBondContact OD2-OG1 3.03Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 3.38Å
270D89.8Confident91.6Very high145 Ų14566.3 Ų66.378%0.77535%0.348SS*.Hα-helixtrans-63.2-29.6-175.9-61.7-46.3000113Q274D270-Q274 WeakPolarHBondContact O-CB 3.28Å; D270-Q274 PolarHBondContact O-N 3.25Å
271E90.9Very high91.5Very high124 Ų12465 Ų6558%0.57935%0.345SS*.Hα-helixtrans-66.3-54.2174.6-171.7-17315300110.2D269 I273 Q274 Q275D269-E271 VanDerWaalsContact C-N 3.26Å; D269-E271 PolarHBondContact O-N 2.98Å; E271-I273 VanDerWaalsContact C-N 3.27Å; E271-I273 PolarHBondContact O-N 3.15Å; E271-Q274 WeakPolarHBondContact O-CA 3.34Å; E271-Q274 WeakPolarHBondContact O-CB 3.42Å; E271-Q274 PolarHBondContact O-N 2.79Å; E271-Q275 WeakPolarHBondContact O-CG 3.33Å; E271-Q275 PolarHBondContact O-N 3.26Å; E271-Q275 PolarHBondContact OE1-NE2 3.06Å
272T91.9Very high91.6Very high22 Ų2261.9 Ų61.914%0.13533%0.328CS..Hα-helixtrans-56.7-40.6175.8-62.90000111.7V237 F268 D269 Q275 L276V237-T272 HydrophobicContact CG2-CG2 4.24Å; F268-T272 HydrophobicContact CB-CG2 3.79Å; F268-T272 HydrophobicContact CD1-CG2 4.01Å; F268-T272 HydrophobicContact CG-CG2 3.92Å; D269-T272 VanDerWaalsContact CG-OG1 3.29Å; D269-T272 PolarHBondContact O-N 3.44Å; D269-T272 PolarHBondContact OD1-OG1 3.45Å; D269-T272 VanDerWaalsContact OD2-CB 3.31Å; D269-T272 WeakPolarHBondContact OD2-CB 3.19Å; D269-T272 PolarHBondContact OD2-N 3.07Å; D269-T272 PolarHBondContact OD2-OG1 3.03Å; T272-Q275 PolarHBondContact O-N 2.95Å; T272-L276 HydrophobicContact CG2-CD1 4.14Å; T272-L276 VanDerWaalsContact O-CG 3.24Å; T272-L276 WeakPolarHBondContact O-CG 3.27Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.13Å
273I93.5Very high91.7Very high10 Ų1063.2 Ų63.25%0.05134%0.335CS..Hα-helixtrans-62.2-41.9173.9-66.6-64000111.3L259 E263 F268 D269 E271 Q275 L276 Q277L259-I273 HydrophobicContact CD1-CD1 4.05Å; E263-I273 HydrophobicContact CB-CD1 4.17Å; E263-I273 HydrophobicContact CG-CG2 4.32Å; F268-I273 HydrophobicContact CB-CD1 4.04Å; F268-I273 HydrophobicContact CB-CG1 4.15Å; F268-I273 HydrophobicContact CD2-CD1 4.14Å; D269-I273 WeakPolarHBondContact O-CG1 3.48Å; D269-I273 PolarHBondContact O-N 3.38Å; E271-I273 VanDerWaalsContact C-N 3.27Å; E271-I273 PolarHBondContact O-N 3.15Å; I273-Q275 PolarHBondContact O-N 3.22Å; I273-L276 HydrophobicContact CD1-CD1 4.48Å; I273-L276 PolarHBondContact O-N 3.4Å; I273-Q277 HydrophobicContact CG2-CG 4.29Å; I273-Q277 WeakPolarHBondContact O-CG 3.34Å; I273-Q277 PolarHBondContact O-N 3.04Å
274Q91.9Very high91.7Very high114 Ų11460.3 Ų60.353%0.53333%0.331SS..Hα-helixtrans-62.8-39.3176.3-174.4177.97500112.6D270 E271 L276 Q277 N278D270-Q274 WeakPolarHBondContact O-CB 3.28Å; D270-Q274 PolarHBondContact O-N 3.25Å; E271-Q274 WeakPolarHBondContact O-CA 3.34Å; E271-Q274 WeakPolarHBondContact O-CB 3.42Å; E271-Q274 PolarHBondContact O-N 2.79Å; Q274-L276 VanDerWaalsContact C-N 3.3Å; Q274-L276 PolarHBondContact O-N 2.88Å; Q274-Q277 PolarHBondContact O-N 3.06Å; Q274-N278 PolarHBondContact O-N 3.34Å
275Q92.4Very high91.8Very high28 Ų2855.3 Ų55.313%0.13131%0.31CS..Hα-helixtrans-62-37.8174.3-59.1-169.714.800111.9V237 E271 T272 I273 N278V237-Q275 HydrophobicContact CG1-CB 4.38Å; V237-Q275 HydrophobicContact CG2-CB 4.38Å; E271-Q275 WeakPolarHBondContact O-CG 3.33Å; E271-Q275 PolarHBondContact O-N 3.26Å; E271-Q275 PolarHBondContact OE1-NE2 3.06Å; T272-Q275 PolarHBondContact O-N 2.95Å; I273-Q275 PolarHBondContact O-N 3.22Å; Q275-N278 CarbonylContact O-C 3.54Å
276L93.1Very high92Very high1 Ų154 Ų541%0.00530%0.301CS..Hα-helixtrans-75.5-30.6177.2-63.4166.6000112.8V236 V237 Y240 L259 W262 F268 T272 I273 Q274 N278V236-L276 HydrophobicContact CG1-CD1 3.97Å; V236-L276 HydrophobicContact CG1-CD2 4.08Å; V237-L276 HydrophobicContact CG2-CD2 4.37Å; Y240-L276 HydrophobicContact CD1-CB 4.25Å; Y240-L276 HydrophobicContact CD1-CD2 3.54Å; Y240-L276 HydrophobicContact CD2-CD2 4.49Å; Y240-L276 HydrophobicContact CE1-CB 4.32Å; Y240-L276 HydrophobicContact CE1-CD2 4.41Å; Y240-L276 VanDerWaalsContact CE1-O 3.26Å; Y240-L276 WeakPolarHBondContact CE1-O 3.18Å; Y240-L276 HydrophobicContact CG-CD2 3.61Å; L259-L276 HydrophobicContact CD1-CB 3.59Å; L259-L276 HydrophobicContact CD1-CD1 3.96Å; L259-L276 HydrophobicContact CD1-CG 4.43Å; L259-L276 HydrophobicContact CD2-CB 4.09Å; L259-L276 HydrophobicContact CG-CB 4.48Å; W262-L276 HydrophobicContact CE3-CD1 4.19Å; W262-L276 HydrophobicContact CZ3-CD1 4.42Å; F268-L276 HydrophobicContact CD2-CD1 4.43Å; T272-L276 HydrophobicContact CG2-CD1 4.14Å; T272-L276 VanDerWaalsContact O-CG 3.24Å; T272-L276 WeakPolarHBondContact O-CG 3.27Å; T272-L276 PolarHBondContact O-N 2.87Å; T272-L276 VanDerWaalsContact O-N 3.13Å; I273-L276 HydrophobicContact CD1-CD1 4.48Å; I273-L276 PolarHBondContact O-N 3.4Å; Q274-L276 VanDerWaalsContact C-N 3.3Å; Q274-L276 PolarHBondContact O-N 2.88Å; L276-N278 VanDerWaalsContact C-N 3.32Å
277Q93.3Very high92.3Very high97 Ų9756.4 Ų56.445%0.45330%0.3SS..Hα-helixtrans-69.5-26.6174.7-76178.3-1.200112.8L259 I273 Q274 P279L259-Q277 HydrophobicContact CD2-CG 4.03Å; I273-Q277 HydrophobicContact CG2-CG 4.29Å; I273-Q277 WeakPolarHBondContact O-CG 3.34Å; I273-Q277 PolarHBondContact O-N 3.04Å; Q274-Q277 PolarHBondContact O-N 3.06Å; Q277-P279 WeakPolarHBondContact O-CD 3.35Å
278N93.2Very high92.7Very high92 Ų9258 Ų5849%0.49232%0.316SS..SBendtrans-120.179.6173.4-77.6-75.9000111.7Q274 Q275 L276 A280 L281 G282Q274-N278 PolarHBondContact O-N 3.34Å; Q275-N278 CarbonylContact O-C 3.54Å; L276-N278 VanDerWaalsContact C-N 3.32Å; N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 2.84Å; N278-A280 VanDerWaalsContact O-N 3.08Å; N278-L281 HydrophobicContact CB-CB 3.89Å; N278-L281 HydrophobicContact CB-CD2 4.45Å; N278-L281 WeakPolarHBondContact O-CA 3.44Å; N278-L281 WeakPolarHBondContact O-CB 3.21Å; N278-L281 PolarHBondContact O-N 3.39Å; N278-G282 PolarHBondContact O-N 3.25Å
279P93.1Very high92.9Very high14 Ų1459.9 Ų59.99%0.09133%0.332CS..Hα-helixtrans-54-36.1-170.5-32.138.2000116.1Y240 C241 F244 L245 Q277 I283Y240-P279 HydrophobicContact CE1-CG 4.27Å; C241-P279 HydrophobicContact CB-CB 3.96Å; F244-P279 HydrophobicContact CB-CB 4.43Å; F244-P279 HydrophobicContact CB-CG 4.31Å; F244-P279 HydrophobicContact CD1-CB 4.04Å; F244-P279 HydrophobicContact CD1-CG 3.68Å; F244-P279 HydrophobicContact CE1-CG 4.12Å; F244-P279 HydrophobicContact CG-CB 4.42Å; F244-P279 HydrophobicContact CG-CG 3.92Å; L245-P279 HydrophobicContact CD1-CB 4.34Å; L245-P279 HydrophobicContact CD2-CB 4.12Å; L245-P279 HydrophobicContact CG-CB 3.98Å; Q277-P279 WeakPolarHBondContact O-CD 3.35Å; P279-I283 WeakPolarHBondContact O-CG1 3.43Å; P279-I283 PolarHBondContact O-N 2.93Å
280A93Very high93Very high73 Ų7356.9 Ų56.960%0.60332%0.316SS*.Hα-helixtrans-67.7-39.5176.400000112.4N278 G284N278-A280 VanDerWaalsContact C-N 3.29Å; N278-A280 PolarHBondContact O-N 2.84Å; N278-A280 VanDerWaalsContact O-N 3.08Å; A280-G284 PolarHBondContact O-N 3.06Å; A280-G284 VanDerWaalsContact O-N 3.15Å
281L92.8Very high93.3Very high90 Ų9052.1 Ų52.147%0.47129%0.29SS..Hα-helixtrans-69.2-43.7175.6-176.864.3000110.8N278 I283 G284 Q285N278-L281 HydrophobicContact CB-CB 3.89Å; N278-L281 HydrophobicContact CB-CD2 4.45Å; N278-L281 WeakPolarHBondContact O-CA 3.44Å; N278-L281 WeakPolarHBondContact O-CB 3.21Å; N278-L281 PolarHBondContact O-N 3.39Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 3.13Å; L281-G284 WeakPolarHBondContact O-CA 3.27Å; L281-G284 PolarHBondContact O-N 3.34Å; L281-Q285 HydrophobicContact CD1-CG 4.46Å; L281-Q285 HydrophobicContact CG-CG 4.47Å; L281-Q285 WeakPolarHBondContact O-CG 3.47Å; L281-Q285 PolarHBondContact O-N 2.82Å
282G94.1Very high93.5Very high0 Ų051.3 Ų51.30%029%0.293CS..Hα-helixtrans-60.6-37.617700000113.4N278 Y286N278-G282 PolarHBondContact O-N 3.25Å; G282-Y286 VanDerWaalsContact O-CB 3.25Å; G282-Y286 WeakPolarHBondContact O-CB 3.39Å; G282-Y286 PolarHBondContact O-N 3.26Å
283I93.6Very high93.6Very high29 Ų2955.4 Ų55.415%0.14931%0.311CS..Hα-helixtrans-67.2-41.3170.8-69-62.2000111.6C241 T242 L245 P279 L281 Y286 Q287C241-I283 HydrophobicContact CB-CD1 3.72Å; C241-I283 HydrophobicContact CB-CG1 3.61Å; T242-I283 WeakPolarHBondContact OG1-CD1 3.47Å; L245-I283 HydrophobicContact CD1-CG1 3.94Å; P279-I283 WeakPolarHBondContact O-CG1 3.43Å; P279-I283 PolarHBondContact O-N 2.93Å; L281-I283 VanDerWaalsContact C-N 3.33Å; L281-I283 PolarHBondContact O-N 3.13Å; I283-Y286 PolarHBondContact O-N 2.95Å; I283-Q287 HydrophobicContact CG2-CG 4.45Å; I283-Q287 WeakPolarHBondContact O-CG 3.48Å; I283-Q287 PolarHBondContact O-N 3.04Å
284G93.6Very high93.7Very high36 Ų3656.1 Ų56.137%0.37131%0.313SS..Hα-helixtrans-61.4-43.7175.900000113A280 L281 Q287 A288A280-G284 PolarHBondContact O-N 3.06Å; A280-G284 VanDerWaalsContact O-N 3.15Å; L281-G284 WeakPolarHBondContact O-CA 3.27Å; L281-G284 PolarHBondContact O-N 3.34Å; G284-Q287 PolarHBondContact O-N 3.07Å; G284-A288 PolarHBondContact O-N 3.18Å
285Q93.3Very high93.9Very high68 Ų6852.2 Ų52.232%0.31830%0.3SS..Hα-helixtrans-66.6-39.8175.5-71.7171.4-55.200111.8L281 A288 S289L281-Q285 HydrophobicContact CD1-CG 4.46Å; L281-Q285 HydrophobicContact CG-CG 4.47Å; L281-Q285 WeakPolarHBondContact O-CG 3.47Å; L281-Q285 PolarHBondContact O-N 2.82Å; Q285-A288 PolarHBondContact O-N 3Å; Q285-S289 PolarHBondContact O-N 2.86Å
286Y93.9Very high94.2Very high34 Ų3455.3 Ų55.313%0.13333%0.331CS..Hα-helixtrans-64.2-38.6173.3179.3-113.2000112.7P238 G282 I283 A288 S289 L290P238-Y286 HydrophobicContact CB-CD1 3.79Å; P238-Y286 HydrophobicContact CB-CE1 3.53Å; P238-Y286 HydrophobicContact CB-CE2 4.45Å; P238-Y286 HydrophobicContact CB-CG 4.34Å; P238-Y286 HydrophobicContact CG-CD1 4.22Å; P238-Y286 HydrophobicContact CG-CD2 4.23Å; P238-Y286 HydrophobicContact CG-CE1 3.82Å; P238-Y286 HydrophobicContact CG-CE2 3.86Å; P238-Y286 HydrophobicContact CG-CG 4.4Å; G282-Y286 VanDerWaalsContact O-CB 3.25Å; G282-Y286 WeakPolarHBondContact O-CB 3.39Å; G282-Y286 PolarHBondContact O-N 3.26Å; I283-Y286 PolarHBondContact O-N 2.95Å; Y286-A288 VanDerWaalsContact C-N 3.35Å; Y286-S289 PolarHBondContact O-N 3Å; Y286-S289 PolarHBondContact O-OG 2.81Å; Y286-L290 HydrophobicContact CD1-CD1 4.02Å; Y286-L290 HydrophobicContact CE1-CD1 3.48Å; Y286-L290 VanDerWaalsContact CE1-CD1 3.48Å; Y286-L290 HydrophobicContact CE1-CG 4.16Å; Y286-L290 HydrophobicContact CE2-CD1 4.32Å; Y286-L290 HydrophobicContact CE2-CD2 4.29Å; Y286-L290 HydrophobicContact CE2-CG 4.11Å; Y286-L290 WeakPolarHBondContact O-CG 3.32Å; Y286-L290 PolarHBondContact O-N 2.94Å
287Q93.1Very high94.3Very high96 Ų9658.2 Ų58.245%0.44935%0.348SS..Hα-helixtrans-65.9-37.9172.9-73.1177.76.300111.9I283 G284 L290 I291I283-Q287 HydrophobicContact CG2-CG 4.45Å; I283-Q287 WeakPolarHBondContact O-CG 3.48Å; I283-Q287 PolarHBondContact O-N 3.04Å; G284-Q287 PolarHBondContact O-N 3.07Å; Q287-L290 PolarHBondContact O-N 3.41Å; Q287-I291 WeakPolarHBondContact O-CB 3.45Å; Q287-I291 VanDerWaalsContact O-CG1 3.3Å; Q287-I291 WeakPolarHBondContact O-CG1 3.3Å; Q287-I291 PolarHBondContact O-N 2.92Å
288A94.2Very high94.5Very high50 Ų5053.6 Ų53.641%0.41333%0.327SS..Hα-helixtrans-66.8-38.4174.700000112.7G284 Q285 Y286 I291 T292G284-A288 PolarHBondContact O-N 3.18Å; Q285-A288 PolarHBondContact O-N 3Å; Y286-A288 VanDerWaalsContact C-N 3.35Å; A288-I291 PolarHBondContact O-N 3.33Å; A288-T292 PolarHBondContact O-N 2.95Å; A288-T292 VanDerWaalsContact O-N 3.16Å; A288-T292 PolarHBondContact O-OG1 3.48Å
289S94.3Very high94.7Very high59 Ų5954.3 Ų54.341%0.41333%0.327SS..Hα-helixtrans-68.1-40.6174.870.60000111.9Q285 Y286 T292 E293Q285-S289 PolarHBondContact O-N 2.86Å; Y286-S289 PolarHBondContact O-N 3Å; Y286-S289 PolarHBondContact O-OG 2.81Å; S289-T292 CarbonylContact O-C 3.49Å; S289-T292 WeakPolarHBondContact O-CB 3.33Å; S289-T292 PolarHBondContact O-N 3.45Å; S289-T292 VanDerWaalsContact O-N 3.1Å; S289-E293 WeakPolarHBondContact O-CB 3.41Å; S289-E293 PolarHBondContact O-N 3.14Å
290L94Very high94.9Very high13 Ų1357.4 Ų57.47%0.06835%0.347CS..Hα-helixtrans-60.7-43.5171.9-73.5176.5000112.7I130 M134 Y286 Q287 T292 E293 Y294I130-L290 HydrophobicContact CD1-CB 4.38Å; I130-L290 HydrophobicContact CG2-CB 4.03Å; I130-L290 HydrophobicContact CG2-CD1 4.07Å; I130-L290 HydrophobicContact CG2-CD2 4.38Å; I130-L290 HydrophobicContact CG2-CG 4.41Å; M134-L290 HydrophobicContact CE-CD2 4.16Å; M134-L290 HydrophobicContact CG-CD2 4.49Å; M134-L290 HydrophobicContact SD-CD1 4.08Å; M134-L290 HydrophobicContact SD-CD2 3.77Å; Y286-L290 HydrophobicContact CD1-CD1 4.02Å; Y286-L290 HydrophobicContact CE1-CD1 3.48Å; Y286-L290 VanDerWaalsContact CE1-CD1 3.48Å; Y286-L290 HydrophobicContact CE1-CG 4.16Å; Y286-L290 HydrophobicContact CE2-CD1 4.32Å; Y286-L290 HydrophobicContact CE2-CD2 4.29Å; Y286-L290 HydrophobicContact CE2-CG 4.11Å; Y286-L290 WeakPolarHBondContact O-CG 3.32Å; Y286-L290 PolarHBondContact O-N 2.94Å; Q287-L290 PolarHBondContact O-N 3.41Å; L290-T292 PolarHBondContact O-N 2.85Å; L290-E293 PolarHBondContact O-N 3.39Å; L290-Y294 HydrophobicContact CD2-CD2 4.05Å; L290-Y294 HydrophobicContact CD2-CE2 3.65Å; L290-Y294 WeakPolarHBondContact O-CD2 3.25Å; L290-Y294 PolarHBondContact O-N 3.36Å
291I95.1Very high95.1Very high44 Ų4455.3 Ų55.323%0.22633%0.326CS..Hα-helixtrans-58.6-31.1174.8-77.3165.4000111.7V126 I130 Q287 A288 A295 V298V126-I291 HydrophobicContact CG1-CD1 4.45Å; V126-I291 HydrophobicContact CG1-CG1 4.1Å; I130-I291 HydrophobicContact CD1-CG1 3.76Å; Q287-I291 WeakPolarHBondContact O-CB 3.45Å; Q287-I291 VanDerWaalsContact O-CG1 3.3Å; Q287-I291 WeakPolarHBondContact O-CG1 3.3Å; Q287-I291 PolarHBondContact O-N 2.92Å; A288-I291 PolarHBondContact O-N 3.33Å; I291-A295 WeakPolarHBondContact O-CA 3.48Å; I291-A295 PolarHBondContact O-N 2.92Å; I291-V298 HydrophobicContact CG2-CG1 4.21Å
292T96Very high95.3Very high107 Ų10753.4 Ų53.466%0.65631%0.314SS*.Hα-helixtrans-83.3-43.6178.9-510000112A288 S289 L290 A295A288-T292 PolarHBondContact O-N 2.95Å; A288-T292 VanDerWaalsContact O-N 3.16Å; A288-T292 PolarHBondContact O-OG1 3.48Å; S289-T292 CarbonylContact O-C 3.49Å; S289-T292 WeakPolarHBondContact O-CB 3.33Å; S289-T292 PolarHBondContact O-N 3.45Å; S289-T292 VanDerWaalsContact O-N 3.1Å; L290-T292 PolarHBondContact O-N 2.85Å; T292-A295 VanDerWaalsContact O-CB 3.3Å; T292-A295 WeakPolarHBondContact O-CB 3.48Å; T292-A295 PolarHBondContact O-N 3.26Å
293E94.4Very high95.4Very high108 Ų10857.5 Ų57.551%0.50534%0.336SS..Hα-helixtrans-62.6-42.9177.7-174.9174.5-151.200111.4S289 L290S289-E293 WeakPolarHBondContact O-CB 3.41Å; S289-E293 PolarHBondContact O-N 3.14Å; L290-E293 PolarHBondContact O-N 3.39Å
294Y95.9Very high95.6Very high26 Ų2658.7 Ų58.710%0.10235%0.35CS..THydrogen-bonded Turntrans-98.923.2179.6-61.1-82.4000113I130 A133 M134 Q137 L290 A296 V297 V298I130-Y294 HydrophobicContact CG2-CD2 4.21Å; A133-Y294 HydrophobicContact CB-CD1 3.42Å; A133-Y294 VanDerWaalsContact CB-CD1 3.42Å; A133-Y294 HydrophobicContact CB-CE1 3.76Å; A133-Y294 HydrophobicContact CB-CG 4.3Å; M134-Y294 HydrophobicContact CG-CD2 4.49Å; M134-Y294 HydrophobicContact CG-CE1 4.27Å; M134-Y294 HydrophobicContact CG-CE2 3.7Å; M134-Y294 WeakPolarHBondContact CG-OH 3.48Å; Q137-Y294 PolarHBondContact OE1-OH 2.8Å; Q137-Y294 VanDerWaalsContact OE1-OH 3.07Å; L290-Y294 HydrophobicContact CD2-CD2 4.05Å; L290-Y294 HydrophobicContact CD2-CE2 3.65Å; L290-Y294 WeakPolarHBondContact O-CD2 3.25Å; L290-Y294 PolarHBondContact O-N 3.36Å; Y294-A296 PolarHBondContact O-N 3.47Å; Y294-V297 VanDerWaalsContact O-CG2 3.26Å; Y294-V297 WeakPolarHBondContact O-CG2 3.26Å; Y294-V297 PolarHBondContact O-N 3.32Å; Y294-V298 WeakPolarHBondContact O-CG2 3.41Å; Y294-V298 PolarHBondContact O-N 3.47Å
295A96.6Very high95.8Very high31 Ų3157.5 Ų57.526%0.25634%0.335SS..Hα-helixtrans-51.3-34.3-176.900000113.6I291 T292 V297 V298 Q299I291-A295 WeakPolarHBondContact O-CA 3.48Å; I291-A295 PolarHBondContact O-N 2.92Å; T292-A295 VanDerWaalsContact O-CB 3.3Å; T292-A295 WeakPolarHBondContact O-CB 3.48Å; T292-A295 PolarHBondContact O-N 3.26Å; A295-V297 VanDerWaalsContact C-N 3.28Å; A295-V297 PolarHBondContact O-N 3.23Å; A295-V298 PolarHBondContact O-N 2.85Å; A295-Q299 HydrophobicContact CB-CG 4.4Å; A295-Q299 VanDerWaalsContact O-CB 3.31Å; A295-Q299 WeakPolarHBondContact O-CB 3.4Å; A295-Q299 WeakPolarHBondContact O-CG 3.3Å; A295-Q299 PolarHBondContact O-N 3.41Å
296A96.9Very high96Very high94 Ų9460.2 Ų60.278%0.77735%0.347SS*.Hα-helixtrans-58.2-32.9178.500000114.4Y294 P300Y294-A296 PolarHBondContact O-N 3.47Å; A296-P300 WeakPolarHBondContact O-CD 3.39Å
297V96.5Very high96.1Very high61 Ų6164 Ų6437%0.3737%0.367SS..Hα-helixtrans-96.3-22.7174.9-62.40000112.8A133 Y294 A295 I301A133-V297 HydrophobicContact CB-CG2 4.22Å; Y294-V297 VanDerWaalsContact O-CG2 3.26Å; Y294-V297 WeakPolarHBondContact O-CG2 3.26Å; Y294-V297 PolarHBondContact O-N 3.32Å; A295-V297 VanDerWaalsContact C-N 3.28Å; A295-V297 PolarHBondContact O-N 3.23Å; V297-I301 WeakPolarHBondContact O-CD1 3.47Å
298V97.3Very high96.2Very high0 Ų063.6 Ų63.60%036%0.364CS..Hα-helixtrans-82.1-39.9-177.7173.20000112.7V126 I130 I291 Y294 A295 I301 Q302V126-V298 HydrophobicContact CG1-CG1 3.81Å; V126-V298 HydrophobicContact CG1-CG2 4.14Å; V126-V298 HydrophobicContact CG2-CG1 4.05Å; I130-V298 HydrophobicContact CD1-CG2 3.87Å; I130-V298 HydrophobicContact CG1-CG2 3.61Å; I291-V298 HydrophobicContact CG2-CG1 4.21Å; Y294-V298 WeakPolarHBondContact O-CG2 3.41Å; Y294-V298 PolarHBondContact O-N 3.47Å; A295-V298 PolarHBondContact O-N 2.85Å; V298-I301 PolarHBondContact O-N 2.89Å; V298-Q302 HydrophobicContact CG1-CG 3.99Å; V298-Q302 WeakPolarHBondContact O-CG 3.43Å; V298-Q302 PolarHBondContact O-N 3.27Å
299Q97Very high96.3Very high108 Ų10861.9 Ų61.951%0.50535%0.348SS..Hα-helixtrans-56.9-48-179.3-73.6-66.9-23.900114.6A295 I301 Q302 L303A295-Q299 HydrophobicContact CB-CG 4.4Å; A295-Q299 VanDerWaalsContact O-CB 3.31Å; A295-Q299 WeakPolarHBondContact O-CB 3.4Å; A295-Q299 WeakPolarHBondContact O-CG 3.3Å; A295-Q299 PolarHBondContact O-N 3.41Å; Q299-I301 VanDerWaalsContact C-N 3.28Å; Q299-I301 PolarHBondContact O-N 3.15Å; Q299-Q302 PolarHBondContact O-N 3.05Å; Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 PolarHBondContact O-N 3.39Å
300P97.7Very high96.5Very high78 Ų7864.9 Ų64.951%0.50636%0.356SS..Hα-helixtrans-62.3-35.2178.623-33.6000112.7A296 A304A296-P300 WeakPolarHBondContact O-CD 3.39Å; P300-A304 WeakPolarHBondContact O-CB 3.23Å; P300-A304 PolarHBondContact O-N 3.19Å
301I97.2Very high96.6Very high29 Ų2966.7 Ų66.715%0.14937%0.373CS..Hα-helixtrans-65.9-48.3175.1-58.4172.4000109.9Q125 V126 A129 V297 V298 Q299 L303 A304 F305Q125-I301 HydrophobicContact CB-CG2 3.92Å; V126-I301 HydrophobicContact CG2-CB 4.34Å; V126-I301 HydrophobicContact CG2-CG2 3.9Å; A129-I301 HydrophobicContact CB-CD1 3.46Å; A129-I301 VanDerWaalsContact CB-CD1 3.46Å; V297-I301 WeakPolarHBondContact O-CD1 3.47Å; V298-I301 PolarHBondContact O-N 2.89Å; Q299-I301 VanDerWaalsContact C-N 3.28Å; Q299-I301 PolarHBondContact O-N 3.15Å; I301-L303 VanDerWaalsContact C-N 3.33Å; I301-L303 PolarHBondContact O-N 3.44Å; I301-A304 PolarHBondContact O-N 3.32Å; I301-F305 HydrophobicContact CG2-CD2 3.92Å; I301-F305 HydrophobicContact CG2-CE2 3.94Å; I301-F305 WeakPolarHBondContact O-CD2 3.43Å; I301-F305 PolarHBondContact O-N 3.41Å
302Q95.9Very high96.6Very high50 Ų5066 Ų6623%0.23437%0.369CS..Hα-helixtrans-59.7-42.4178.8-71.5-175.62.100112.2V126 V298 Q299 Q306V126-Q302 HydrophobicContact CG2-CG 4.26Å; V298-Q302 HydrophobicContact CG1-CG 3.99Å; V298-Q302 WeakPolarHBondContact O-CG 3.43Å; V298-Q302 PolarHBondContact O-N 3.27Å; Q299-Q302 PolarHBondContact O-N 3.05Å; Q302-Q306 WeakPolarHBondContact O-CB 3.46Å; Q302-Q306 PolarHBondContact O-N 3.49Å
303L97.4Very high96.6Very high86 Ų8665.2 Ų65.245%0.4536%0.356SS..Hα-helixtrans-65.5-43.5178.5-176.962.2000112.3Q299 I301 Q306 Q307Q299-L303 WeakPolarHBondContact O-CB 3.49Å; Q299-L303 PolarHBondContact O-N 3.39Å; I301-L303 VanDerWaalsContact C-N 3.33Å; I301-L303 PolarHBondContact O-N 3.44Å; L303-Q306 WeakPolarHBondContact O-CB 3.33Å; L303-Q306 PolarHBondContact O-N 2.99Å; L303-Q307 WeakPolarHBondContact O-CG 3.43Å; L303-Q307 PolarHBondContact O-N 3.02Å
304A96.9Very high96.7Very high55 Ų5562.5 Ų62.546%0.45535%0.348SS..Hα-helixtrans-60.4-47.2178.300000112.1P300 I301 Q306 Q307 Q308P300-A304 WeakPolarHBondContact O-CB 3.23Å; P300-A304 PolarHBondContact O-N 3.19Å; I301-A304 PolarHBondContact O-N 3.32Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; A304-Q306 PolarHBondContact O-N 3.31Å; A304-Q307 PolarHBondContact O-N 2.95Å; A304-Q308 PolarHBondContact O-N 3.1Å
305F97.8Very high96.6Very high10 Ų1067.5 Ų67.54%0.04437%0.372CS..Hα-helixtrans-66.8-34175.4-81.4-76.3000113L118 L121 R122 Q125 I301 Q308 I309L118-F305 HydrophobicContact CB-CD1 4.29Å; L118-F305 HydrophobicContact CD2-CD1 4.2Å; L118-F305 HydrophobicContact CD2-CE1 4.04Å; L121-F305 HydrophobicContact CB-CE1 4.17Å; L121-F305 HydrophobicContact CB-CZ 4.25Å; L121-F305 HydrophobicContact CD2-CE1 4.06Å; L121-F305 HydrophobicContact CD2-CZ 4.05Å; L121-F305 HydrophobicContact CG-CE1 4.13Å; L121-F305 HydrophobicContact CG-CZ 3.86Å; R122-F305 HydrophobicContact CB-CB 4.04Å; R122-F305 HydrophobicContact CB-CD1 4.02Å; R122-F305 HydrophobicContact CB-CD2 3.66Å; R122-F305 HydrophobicContact CB-CE1 4.41Å; R122-F305 HydrophobicContact CB-CE2 4.09Å; R122-F305 HydrophobicContact CB-CG 3.63Å; R122-F305 HydrophobicContact CB-CZ 4.45Å; R122-F305 HydrophobicContact CG-CB 3.84Å; R122-F305 HydrophobicContact CG-CD2 3.65Å; R122-F305 HydrophobicContact CG-CE2 4.41Å; R122-F305 HydrophobicContact CG-CG 3.81Å; Q125-F305 HydrophobicContact CB-CE2 4.35Å; Q125-F305 HydrophobicContact CG-CE2 4.33Å; Q125-F305 HydrophobicContact CG-CZ 4.47Å; I301-F305 HydrophobicContact CG2-CD2 3.92Å; I301-F305 HydrophobicContact CG2-CE2 3.94Å; I301-F305 WeakPolarHBondContact O-CD2 3.43Å; I301-F305 PolarHBondContact O-N 3.41Å; F305-Q308 PolarHBondContact O-N 3.2Å; F305-I309 WeakPolarHBondContact O-CB 3.42Å; F305-I309 WeakPolarHBondContact O-CG1 3.46Å; F305-I309 PolarHBondContact O-N 3.04Å
306Q96.9Very high96.5Very high125 Ų12567.4 Ų67.458%0.58437%0.366SS*.Hα-helixtrans-63.2-44.5175.2-174.5177.641.400111.5Q302 L303 A304 I309 Q310Q302-Q306 WeakPolarHBondContact O-CB 3.46Å; Q302-Q306 PolarHBondContact O-N 3.49Å; L303-Q306 WeakPolarHBondContact O-CB 3.33Å; L303-Q306 PolarHBondContact O-N 2.99Å; A304-Q306 VanDerWaalsContact C-N 3.35Å; A304-Q306 PolarHBondContact O-N 3.31Å; Q306-I309 PolarHBondContact O-N 3.32Å; Q306-Q310 WeakPolarHBondContact O-CB 3.04Å; Q306-Q310 PolarHBondContact O-N 3.16Å
307Q97.4Very high96.5Very high115 Ų11568.7 Ų68.754%0.53736%0.356SS..Hα-helixtrans-62.5-41.7175.1-70.21741.400111.7L303 A304 Q310 A311L303-Q307 WeakPolarHBondContact O-CG 3.43Å; L303-Q307 PolarHBondContact O-N 3.02Å; A304-Q307 PolarHBondContact O-N 2.95Å; Q307-Q310 PolarHBondContact O-N 2.67Å; Q307-A311 WeakPolarHBondContact O-CB 3.24Å; Q307-A311 PolarHBondContact O-N 2.86Å
308Q95.6Very high96.4Very high86 Ų8672.5 Ų72.540%0.40237%0.368SS..Hα-helixtrans-63.9-44.6177.2-167.6179.26.400112.3L118 A304 F305 Q310 A311 L312L118-Q308 HydrophobicContact CD1-CB 4.32Å; L118-Q308 HydrophobicContact CD1-CG 3.78Å; A304-Q308 PolarHBondContact O-N 3.1Å; F305-Q308 PolarHBondContact O-N 3.2Å; Q308-Q310 VanDerWaalsContact C-N 3.34Å; Q308-Q310 PolarHBondContact O-N 3.16Å; Q308-A311 PolarHBondContact O-N 3.43Å; Q308-L312 PolarHBondContact O-N 2.9Å; Q308-L312 VanDerWaalsContact O-N 3.12Å
309I96.3Very high96.3Very high14 Ų1476.1 Ų76.17%0.07238%0.384CS..Hα-helixtrans-63.4-40.2175.6-71.5166.1000111E115 L118 F305 Q306 L312 K313E115-I309 HydrophobicContact CG-CG2 4.17Å; L118-I309 HydrophobicContact CB-CD1 4.21Å; L118-I309 HydrophobicContact CB-CG1 4.04Å; L118-I309 HydrophobicContact CD1-CG1 3.8Å; F305-I309 WeakPolarHBondContact O-CB 3.42Å; F305-I309 WeakPolarHBondContact O-CG1 3.46Å; F305-I309 PolarHBondContact O-N 3.04Å; Q306-I309 PolarHBondContact O-N 3.32Å; I309-L312 PolarHBondContact O-N 3.45Å; I309-K313 HydrophobicContact CG2-CD 4.29Å; I309-K313 WeakPolarHBondContact O-CG 3.32Å; I309-K313 PolarHBondContact O-N 3.05Å; I309-K313 VanDerWaalsContact O-N 3.08Å
310Q97.1Very high96.2Very high123 Ų12371.8 Ų71.858%0.57536%0.364SS*.Hα-helixtrans-63.8-41.5175.6-174.1175.9-2.100111.8Q306 Q307 Q308 L312 K313 T314Q306-Q310 WeakPolarHBondContact O-CB 3.04Å; Q306-Q310 PolarHBondContact O-N 3.16Å; Q307-Q310 PolarHBondContact O-N 2.67Å; Q308-Q310 VanDerWaalsContact C-N 3.34Å; Q308-Q310 PolarHBondContact O-N 3.16Å; Q310-L312 PolarHBondContact O-N 2.82Å; Q310-K313 PolarHBondContact O-N 2.92Å; Q310-T314 PolarHBondContact O-N 2.82Å; Q310-T314 PolarHBondContact O-OG1 2.99Å
311A96.5Very high95.9Very high51 Ų5171.8 Ų71.842%0.42136%0.363SS..Hα-helixtrans-61-43.2176.800000112.3Q307 Q308 T314 Q315Q307-A311 WeakPolarHBondContact O-CB 3.24Å; Q307-A311 PolarHBondContact O-N 2.86Å; Q308-A311 PolarHBondContact O-N 3.43Å; A311-T314 PolarHBondContact O-N 2.78Å; A311-Q315 WeakPolarHBondContact O-CG 3.41Å; A311-Q315 PolarHBondContact O-N 2.81Å
312L95.7Very high95.7Very high29 Ų2973.7 Ų73.715%0.15238%0.379CS..Hα-helixtrans-62.4-42.3174.7-67.4179.9000112.2L111 Q114 L118 Q308 I309 Q310 T314 Q315 H316L111-L312 HydrophobicContact CD1-CB 3.8Å; Q114-L312 HydrophobicContact CB-CD1 3.92Å; L118-L312 HydrophobicContact CD1-CD1 3.61Å; Q308-L312 PolarHBondContact O-N 2.9Å; Q308-L312 VanDerWaalsContact O-N 3.12Å; I309-L312 PolarHBondContact O-N 3.45Å; Q310-L312 PolarHBondContact O-N 2.82Å; L312-T314 PolarHBondContact O-N 3.02Å; L312-Q315 PolarHBondContact O-N 3.21Å; L312-H316 PolarHBondContact O-N 2.79Å
313K96.1Very high95.5Very high90 Ų9072 Ų7239%0.39137%0.372SS..Hα-helixtrans-59.5-46.4175.4-75.6176.4179.51750112L111 E115 I309 Q310 Q315 H316 E317L111-K313 HydrophobicContact CD1-CG 4.37Å; L111-K313 HydrophobicContact CD2-CG 4.32Å; E115-K313 WeakPolarHBondContact OE1-CE 3.44Å; E115-K313 IonicContact OE1-NZ 2.86Å; E115-K313 PolarHBondContact OE1-NZ 3.5Å; E115-K313 WeakPolarHBondContact OE2-CE 3.48Å; E115-K313 IonicContact OE2-NZ 3.24Å; E115-K313 PolarHBondContact OE2-NZ 2.93Å; I309-K313 HydrophobicContact CG2-CD 4.29Å; I309-K313 WeakPolarHBondContact O-CG 3.32Å; I309-K313 PolarHBondContact O-N 3.05Å; I309-K313 VanDerWaalsContact O-N 3.08Å; Q310-K313 PolarHBondContact O-N 2.92Å; K313-Q315 VanDerWaalsContact C-N 3.33Å; K313-Q315 PolarHBondContact O-N 2.91Å; K313-H316 PolarHBondContact O-N 3.32Å; K313-E317 WeakPolarHBondContact O-CB 3.39Å; K313-E317 PolarHBondContact O-N 2.86Å
314T97Very high95Very high52 Ų5273.2 Ų73.232%0.31937%0.373SS..Hα-helixtrans-67.5-30.1176.7-610000112.8Q310 A311 L312 K318Q310-T314 PolarHBondContact O-N 2.82Å; Q310-T314 PolarHBondContact O-OG1 2.99Å; A311-T314 PolarHBondContact O-N 2.78Å; L312-T314 PolarHBondContact O-N 3.02Å; T314-K318 HydrophobicContact CG2-CD 4.28Å; T314-K318 WeakPolarHBondContact O-CB 2.82Å; T314-K318 WeakPolarHBondContact O-CD 3.41Å; T314-K318 VanDerWaalsContact O-CG 3.24Å; T314-K318 WeakPolarHBondContact O-CG 3.1Å; T314-K318 PolarHBondContact O-N 3.18Å; T314-K318 VanDerWaalsContact O-N 3.14Å
315Q93.4Very high94.5Very high131 Ų13177 Ų7761%0.61238%0.381SS*.Hα-helixtrans-67.6-45.5171.2-76.4176.3-16.800111.8A311 L312 K313 K318 F319A311-Q315 WeakPolarHBondContact O-CG 3.41Å; A311-Q315 PolarHBondContact O-N 2.81Å; L312-Q315 PolarHBondContact O-N 3.21Å; K313-Q315 VanDerWaalsContact C-N 3.33Å; K313-Q315 PolarHBondContact O-N 2.91Å; Q315-K318 PolarHBondContact O-N 3.23Å; Q315-F319 PolarHBondContact O-N 2.91Å
316H94.6Very high93.6Very high29 Ų2982.1 Ų82.113%0.13441%0.405CS..Hα-helixtrans-62-43.9175.3175.272.6000112.1S107 Q108 L111 L312 K313 K318 F319 V320S107-H316 PolarHBondContact OG-CE1 3.08Å; S107-H316 PolarHBondContact OG-ND1 3.47Å; Q108-H316 VanDerWaalsContact CG-CE1 3.44Å; Q108-H316 WeakPolarHBondContact CG-CE1 3.49Å; Q108-H316 WeakPolarHBondContact CG-NE2 3.41Å; Q108-H316 PolarHBondContact N-CE1 2.96Å; L111-H316 HydrophobicContact CD1-CB 4.48Å; L111-H316 HydrophobicContact CD2-CB 3.82Å; L312-H316 PolarHBondContact O-N 2.79Å; K313-H316 PolarHBondContact O-N 3.32Å; H316-K318 VanDerWaalsContact C-N 3.35Å; H316-K318 PolarHBondContact O-N 3.02Å; H316-F319 WeakPolarHBondContact O-CB 3.48Å; H316-F319 PolarHBondContact O-N 3.44Å; H316-F319 VanDerWaalsContact O-N 3.14Å; H316-V320 VanDerWaalsContact CE1-CG2 3.42Å; H316-V320 WeakPolarHBondContact CE1-CG2 3.48Å; H316-V320 WeakPolarHBondContact NE2-CG2 3.32Å; H316-V320 WeakPolarHBondContact O-CG2 3.38Å; H316-V320 PolarHBondContact O-N 3.01Å
317E96.1Very high92.3Very high121 Ų12181.5 Ų81.557%0.56540%0.403SS*.Hα-helixtrans-59.7-42.6176.6-174.7177.5-161.400112.3K313 V320 T321K313-E317 WeakPolarHBondContact O-CB 3.39Å; K313-E317 PolarHBondContact O-N 2.86Å; E317-V320 PolarHBondContact O-N 3.06Å; E317-T321 WeakPolarHBondContact O-CB 3.41Å; E317-T321 WeakPolarHBondContact O-CG2 3.45Å; E317-T321 PolarHBondContact O-N 3.49Å; E317-T321 PolarHBondContact O-OG1 3.42Å
318K94.8Very high90.5Very high141 Ų14181 Ų8161%0.61341%0.408SS*.Hα-helixtrans-63.3-37.8173.6-74.9171.3179.91790112.9T314 Q315 H316 T321 S322T314-K318 HydrophobicContact CG2-CD 4.28Å; T314-K318 WeakPolarHBondContact O-CB 2.82Å; T314-K318 WeakPolarHBondContact O-CD 3.41Å; T314-K318 VanDerWaalsContact O-CG 3.24Å; T314-K318 WeakPolarHBondContact O-CG 3.1Å; T314-K318 PolarHBondContact O-N 3.18Å; T314-K318 VanDerWaalsContact O-N 3.14Å; Q315-K318 PolarHBondContact O-N 3.23Å; H316-K318 VanDerWaalsContact C-N 3.35Å; H316-K318 PolarHBondContact O-N 3.02Å; K318-T321 WeakPolarHBondContact CA-OG1 3.49Å; K318-T321 PolarHBondContact O-OG1 3.44Å; K318-T321 VanDerWaalsContact O-OG1 3.12Å; K318-S322 VanDerWaalsContact O-CB 3.29Å; K318-S322 WeakPolarHBondContact O-CB 3.2Å; K318-S322 PolarHBondContact O-N 2.93Å
319F94Very high88.1Confident76 Ų7681.6 Ų81.633%0.33342%0.42SS..Hα-helixtrans-66.2-48.5174.5177.3-97.1000112S107 Q315 H316 T321 S322 L323S107-F319 VanDerWaalsContact CB-CE1 3.45Å; S107-F319 VanDerWaalsContact OG-CD1 3.23Å; S107-F319 WeakPolarHBondContact OG-CD1 3.39Å; Q315-F319 PolarHBondContact O-N 2.91Å; H316-F319 WeakPolarHBondContact O-CB 3.48Å; H316-F319 PolarHBondContact O-N 3.44Å; H316-F319 VanDerWaalsContact O-N 3.14Å; F319-T321 PolarHBondContact O-N 3.28Å; F319-S322 PolarHBondContact O-N 3.22Å; F319-L323 HydrophobicContact CD1-CD1 3.99Å; F319-L323 HydrophobicContact CE1-CD1 3.36Å; F319-L323 HydrophobicContact CE1-CG 4.24Å; F319-L323 HydrophobicContact CE2-CD1 4.41Å; F319-L323 HydrophobicContact CZ-CD1 3.62Å; F319-L323 HydrophobicContact CZ-CG 4.24Å; F319-L323 PolarHBondContact O-N 3.26Å
320V94.8Very high85.6Confident16 Ų1686.6 Ų86.610%0.09745%0.453CS..Hα-helixtrans-65.3-38.3179.5173.40000112I104 H316 E317 K324I104-V320 HydrophobicContact CD1-CG1 4.2Å; I104-V320 HydrophobicContact CG1-CG1 4.28Å; I104-V320 HydrophobicContact CG1-CG2 4.26Å; I104-V320 HydrophobicContact CG2-CG1 4.34Å; I104-V320 HydrophobicContact CG2-CG2 4.08Å; H316-V320 VanDerWaalsContact CE1-CG2 3.42Å; H316-V320 WeakPolarHBondContact CE1-CG2 3.48Å; H316-V320 WeakPolarHBondContact NE2-CG2 3.32Å; H316-V320 WeakPolarHBondContact O-CG2 3.38Å; H316-V320 PolarHBondContact O-N 3.01Å; E317-V320 PolarHBondContact O-N 3.06Å; V320-K324 HydrophobicContact CG1-CD 4.12Å; V320-K324 WeakPolarHBondContact O-CB 3.46Å; V320-K324 WeakPolarHBondContact O-CG 3.06Å; V320-K324 PolarHBondContact O-N 3.15Å
321T93.4Very high83.4Confident78 Ų7886.2 Ų86.248%0.47947%0.471SS..Hα-helixtrans-68.4-40.8175.645.30000112.1E317 K318 F319 K324 Q325E317-T321 WeakPolarHBondContact O-CB 3.41Å; E317-T321 WeakPolarHBondContact O-CG2 3.45Å; E317-T321 PolarHBondContact O-N 3.49Å; E317-T321 PolarHBondContact O-OG1 3.42Å; K318-T321 WeakPolarHBondContact CA-OG1 3.49Å; K318-T321 PolarHBondContact O-OG1 3.44Å; K318-T321 VanDerWaalsContact O-OG1 3.12Å; F319-T321 PolarHBondContact O-N 3.28Å; T321-K324 PolarHBondContact O-N 3.44Å; T321-Q325 WeakPolarHBondContact O-CB 3.17Å; T321-Q325 PolarHBondContact O-N 3.12Å
322S92.9Very high80.9Confident69 Ų6986.7 Ų86.748%0.48348%0.481SS..Hα-helixtrans-59.6-48.1173.9-178.30000112.2K318 F319 K324 Q325 Q326K318-S322 VanDerWaalsContact O-CB 3.29Å; K318-S322 WeakPolarHBondContact O-CB 3.2Å; K318-S322 PolarHBondContact O-N 2.93Å; F319-S322 PolarHBondContact O-N 3.22Å; S322-K324 PolarHBondContact O-N 3.48Å; S322-Q325 PolarHBondContact O-N 3Å; S322-Q326 PolarHBondContact O-N 3.2Å
323L89.9Confident78.1Confident16 Ų1692.3 Ų92.38%0.08452%0.517CS..Hα-helixtrans-59.5-44.4176.2-77.1-178.1000112.8I100 L103 I104 F319 Q326 Q327I100-L323 HydrophobicContact CG2-CB 4.09Å; L103-L323 HydrophobicContact CB-CD1 3.93Å; I104-L323 HydrophobicContact CG1-CD1 3.8Å; F319-L323 HydrophobicContact CD1-CD1 3.99Å; F319-L323 HydrophobicContact CE1-CD1 3.36Å; F319-L323 HydrophobicContact CE1-CG 4.24Å; F319-L323 HydrophobicContact CE2-CD1 4.41Å; F319-L323 HydrophobicContact CZ-CD1 3.62Å; F319-L323 HydrophobicContact CZ-CG 4.24Å; F319-L323 PolarHBondContact O-N 3.26Å; L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 2.82Å; L323-Q327 PolarHBondContact O-N 3.05Å
324K88.1Confident75.6Confident111 Ų11192.9 Ų92.948%0.48354%0.538SS..Hα-helixtrans-66.5-37.4177.8-74.6177.5178.2-177.10112.5I104 V320 T321 S322 Q326 Q327 T328I104-K324 HydrophobicContact CD1-CG 4.29Å; V320-K324 HydrophobicContact CG1-CD 4.12Å; V320-K324 WeakPolarHBondContact O-CB 3.46Å; V320-K324 WeakPolarHBondContact O-CG 3.06Å; V320-K324 PolarHBondContact O-N 3.15Å; T321-K324 PolarHBondContact O-N 3.44Å; S322-K324 PolarHBondContact O-N 3.48Å; K324-Q326 VanDerWaalsContact C-N 3.31Å; K324-Q326 PolarHBondContact O-N 3.03Å; K324-Q327 WeakPolarHBondContact O-CB 3.31Å; K324-Q327 PolarHBondContact O-N 3.01Å; K324-T328 PolarHBondContact O-N 2.95Å
325Q86.4Confident72.6Confident135 Ų13594.8 Ų94.863%0.63156%0.559SS**Hα-helixtrans-63-40.8174.6-169.6170.38.300111T321 S322 Q327 T328T321-Q325 WeakPolarHBondContact O-CB 3.17Å; T321-Q325 PolarHBondContact O-N 3.12Å; S322-Q325 PolarHBondContact O-N 3Å; Q325-Q327 PolarHBondContact O-N 3.43Å; Q325-T328 PolarHBondContact O-N 3.27Å; Q325-T328 PolarHBondContact O-OG1 3.25Å
326Q77.9Confident70Confident116 Ų11694.3 Ų94.354%0.54257%0.567SS.*Hα-helixtrans-60.7-29.1175.1-152.3169.543.700113S322 L323 K324S322-Q326 PolarHBondContact O-N 3.2Å; L323-Q326 WeakPolarHBondContact O-CB 3.37Å; L323-Q326 PolarHBondContact O-N 2.82Å; K324-Q326 VanDerWaalsContact C-N 3.31Å; K324-Q326 PolarHBondContact O-N 3.03Å
327Q70.8Confident67.8Low113 Ų11399.1 Ų99.153%0.52860%0.602SS.*Hα-helixtrans-75.7-19.4175.2-158.6175.226.100113.9I100 L323 K324 Q325I100-Q327 HydrophobicContact CD1-CB 3.84Å; I100-Q327 HydrophobicContact CD1-CG 3.93Å; L323-Q327 PolarHBondContact O-N 3.05Å; K324-Q327 WeakPolarHBondContact O-CB 3.31Å; K324-Q327 PolarHBondContact O-N 3.01Å; Q325-Q327 PolarHBondContact O-N 3.43Å
328T58.3Low64.7Low105 Ų10598.2 Ų98.264%0.64462%0.615SS**THydrogen-bonded Turntrans-94.9-3.1-174.154.90000115.6K324 Q325 P330K324-T328 PolarHBondContact O-N 2.95Å; Q325-T328 PolarHBondContact O-N 3.27Å; Q325-T328 PolarHBondContact O-OG1 3.25Å; T328-P330 WeakPolarHBondContact O-CD 3.44Å
329C45.6Very low61.8Low98 Ų98100.7 Ų100.766%0.66263%0.628SS**  trans-89.9111.9176.9-67.90000111.4A331C329-A331 PolarHBondContact O-N 2.85Å
330P45.2Very low58.9Low119 Ų119101.5 Ų101.577%0.77365%0.649SS**  trans-72.8128.9176.429.6-34000111.4T328 G332T328-P330 WeakPolarHBondContact O-CD 3.44Å; P330-G332 PolarHBondContact O-N 3.26Å; P330-G332 VanDerWaalsContact O-N 3.1Å
331A49.2Very low55.8Low115 Ų115110.1 Ų110.195%0.9569%0.688SS**  trans-70.2102.1168.700000109.4C329C329-A331 PolarHBondContact O-N 2.85Å
332G45.3Very low52.7Low61 Ų61115.4 Ų115.463%0.62971%0.705SS**  trans-161.933.1-158.300000119.1P330P330-G332 PolarHBondContact O-N 3.26Å; P330-G332 VanDerWaalsContact O-N 3.1Å
333T37Very low49.9Very low146 Ų146116.5 Ų116.590%0.89672%0.718SS**  trans-166.8120.1147.560000111.4
334A43.7Very low47.5Very low103 Ų103121 Ų12185%0.85175%0.748SS**  trans-94.2132.3159.900000108.3
335A32.3Very low45Very low92 Ų92120.5 Ų120.576%0.7676%0.756SS**  trans-109.3147.317100000109.5
336P40.7Very low42.2Very low120 Ų120121.1 Ų121.178%0.77976%0.762SS**  trans-72.5159.7-174.630.2-35.7000112.8
337P46.6Very low39.7Very low131 Ų131121.3 Ų121.385%0.85177%0.772SS**  trans-74139.6-175.530.3-35.4000112.7
338A32.9Very low37.5Very low102 Ų102121.2 Ų121.284%0.84378%0.779SS**  trans-114.6102.4163.700000108.6
339E33.4Very low35.9Very low192 Ų192124.8 Ų124.890%0.89779%0.788SS**  trans-84.4156.8167.1-101.1-172.2106.500111.1
340A32.2Very low34.8Very low94 Ų94125 Ų12578%0.77780%0.797SS**  trans65.1130.1-170.100000113.4
341E30Very low33.9Very low196 Ų196123.2 Ų123.292%0.91680%0.8SS**  cis-117.6172.143.3-138179.3151.300116.5
342K28.4Very low32.7Very low190 Ų190123 Ų12383%0.82680%0.798SS**  trans-91.9129.4-171.1-74.8175.5178.3172.40113.3
343A34.5Very low31.8Very low92 Ų92123.5 Ų123.576%0.7680%0.804SS**  -76.6151.9123.100000107.7
344P39.7Very low31.2Very low110 Ų110124.7 Ų124.771%0.71481%0.805SS**  cis-131.1-152.12840.3-18.4000110.3
345P35.9Very low30.3Very low101 Ų101122.9 Ų122.966%0.65680%0.796SS**  cis-142166.9-0.443.3-24.5000118.9
346I25.7Very low30Very low147 Ų147128.1 Ų128.175%0.75480%0.802SS**  trans50.3115.6135.7-63.5168.9000119.7
347T26.5Very low30Very low120 Ų120127.7 Ų127.774%0.73680%0.799SS**  trans46.6131.2132.5-43.60000119.3
348T25Very low29.7Very low111 Ų111126.2 Ų126.268%0.68179%0.789SS**  -176135.295.5-69.10000114.2
349Q24.6Very low29.3Very low181 Ų181127.8 Ų127.885%0.84679%0.788SS**  trans34.6127.8153.8-63.6171.1-13.400124.4
350A23.2Very low28.9Very low103 Ų103126.6 Ų126.685%0.85179%0.786SS**  56.5117.112600000123.6
351G24.6Very low28.5Very low81 Ų81125.4 Ų125.484%0.83578%0.783SS**  106.889.1101.500000120.5
352A25.6Very low29Very low110 Ų110121.9 Ų121.991%0.90978%0.777SS**  trans-161.1156.4152.500000110.5
353G24.6Very low29.7Very low72 Ų72118.3 Ų118.374%0.74277%0.773SS**  cis139.973.9-1300000116.3
354D25.9Very low30Very low171 Ų171119.3 Ų119.391%0.91477%0.772SS**  trans-156.7140.6155.1-124.1-35.2000110
355G24.9Very low29.4Very low65 Ų65116.7 Ų116.767%0.6777%0.765SS**  cis-152.2168.34.600000116.4
356K25Very low29.1Very low201 Ų201119 Ų11987%0.87477%0.772SS**  trans-55.9178.1176.5-81.6175.9175.2172.70115.7
357P40.6Very low29.2Very low111 Ų111120.6 Ų120.672%0.72177%0.774SS**  cis-137.2-140.1-39.842-21.9000109.1
358P40.7Very low29.4Very low101 Ų101120.5 Ų120.566%0.65677%0.769SS**  cis-136.3141-21.434.3-13.3000118.5
359V25.2Very low29.4Very low135 Ų135117.8 Ų117.882%0.81876%0.763SS**  69.1145.8125.8-171.60000122.1
360I25.1Very low29.5Very low167 Ų167115.7 Ų115.786%0.85676%0.762SS**  trans84.1121.2172.3-39.3-170.7000119.7
361G22.8Very low29.7Very low68 Ų68115 Ų11570%0.70176%0.757SS**  trans108.4111.2131.500000121.7
362P41.3Very low30.5Very low122 Ų122116.5 Ų116.579%0.79275%0.752SS**  trans-106.8-173.3154.841.2-33000111.3
363P43.1Very low30.5Very low116 Ų116122.8 Ų122.875%0.75375%0.752SS**  cis-117-134.1-20.742.5-24.7000108.4
364P40.8Very low30.6Very low112 Ų112123.8 Ų123.873%0.72775%0.748SS**  cis-108.2-139.3-3638.8-19.6000110.2
365G27Very low30.6Very low56 Ų56123.8 Ų123.858%0.57774%0.742SS**  cis93.7139.143.800000110.9
366D28.8Very low30.6Very low148 Ų148127.5 Ų127.579%0.79175%0.746SS**  cis-146.5-154.30.1-69.2-66.4000107.6
367F28.8Very low31.4Very low182 Ų182122.9 Ų122.980%0.79874%0.737SS**  cis-166166.36.9-154.1-143.6000105.2
368D29Very low30.8Very low117 Ų117126.7 Ų126.763%0.62674%0.742SS**  cis-153.1-171.13.1-158.519.2000105.7
369G25.8Very low30.2Very low55 Ų55128.6 Ų128.657%0.56775%0.747SS**  cis172.1-174.25.400000116.1
370V26.1Very low30.2Very low137 Ų137126.6 Ų126.683%0.8374%0.739SS**  trans45.5111.4163.5-166.60000119.7
371A27.4Very low30.2Very low89 Ų89124.1 Ų124.174%0.73674%0.736SS**  trans-111.9173.7157.900000110.6
372P41Very low30.2Very low112 Ų112124 Ų12473%0.72774%0.735SS**  -155.1156.996.138.9-21000118.1
373R26.3Very low30Very low242 Ų242124.2 Ų124.291%0.91374%0.737SS**  trans40.3143143.5-64.7175.5172165.8-2.9120.8
374S27.1Very low29.3Very low93 Ų93123 Ų12365%0.6573%0.731SS**  cis-168.3-166.2-9.1500000107
375Q26.3Very low28.6Very low170 Ų170124.5 Ų124.579%0.79473%0.733SS**  cis-166.2162.111.6-151157.9-78.700113.6
376D23.3Very low28.5Very low143 Ų143130 Ų13077%0.76575%0.745SS**  trans-84.1179.6171.8-71.6-72.2000113.5
377P43.5Very low28.7Very low104 Ų104128 Ų12868%0.67574%0.741SS**  cis-150.9-171.420.244-22.2000119.9
378K28.3Very low29.2Very low192 Ų192124.8 Ų124.884%0.83574%0.738SS**  trans90.5137.2155.6-71.6169.3179.3177.60118.9
379N26.4Very low29Very low140 Ų140126.7 Ų126.775%0.74975%0.749SS**  cis-159.7151.8-16.4-165.536.5000112.4
380S25.6Very low29.5Very low94 Ų94133.1 Ų133.166%0.65776%0.761SS**  trans65.3149.6168.2-76.80000117.4
381S26.3Very low29.4Very low114 Ų114131.8 Ų131.880%0.79776%0.755SS**  cis-156.1166.5-13.4-97.80000109.6
382G22.1Very low29.5Very low66 Ų66133.5 Ų133.568%0.6876%0.756SS**  trans-126.2-155.8175.300000112.6
383P36.8Very low28.8Very low126 Ų126138.2 Ų138.282%0.81876%0.76SS**  cis-100.2-161.45.243.7-36.9000111.5
384S27.7Very low28.8Very low91 Ų91136.5 Ų136.564%0.63676%0.759SS**  cis-158.7168.67.5-1470000113.9
385D26.6Very low28.5Very low144 Ų144138.6 Ų138.677%0.7776%0.759SS**  trans66.3169.8151.9-71.4-66.2000122
386M24.5Very low28.7Very low170 Ų170134.9 Ų134.984%0.83775%0.75SS**  trans-104.9158.3-136.4-81.3172.24900117.7
387P32.8Very low28.9Very low107 Ų107137.2 Ų137.270%0.69576%0.756SS**  trans-101.1-170.8173.443.2-37.6000112.3
388P41.3Very low28.2Very low115 Ų115141.3 Ų141.375%0.74777%0.766SS**  cis-129.8122-36.126.6-7.4000112.1
389N23.9Very low28.3Very low157 Ų157137.8 Ų137.884%0.8476%0.76SS**  trans-158.8170.6161.9-134.5-36.1000114.2
390K35.4Very low28.6Very low190 Ų190133.4 Ų133.483%0.82675%0.748SS**  trans-66145.3177.4-61.2175.1-179.1175.30112.2
391P25.2Very low28.8Very low108 Ų108135.6 Ų135.670%0.70176%0.76SS**  -121.7141.5122.734.8-29.5000110
392T28.5Very low29.2Very low125 Ų125139 Ų13977%0.76776%0.755SS**  56.484.155.167.40000114.1
393W27Very low29.8Very low211 Ų211140.5 Ų140.580%0.79975%0.748SS**  trans-133.688.4150.6-169-96.8000111E395W393-E395 HydrophobicContact CE3-CB 4.49Å; W393-E395 HydrophobicContact CH2-CB 3.81Å; W393-E395 HydrophobicContact CH2-CG 4.25Å; W393-E395 HydrophobicContact CZ2-CB 3.84Å; W393-E395 HydrophobicContact CZ3-CB 4.15Å
394F25.8Very low29.7Very low206 Ų206140.3 Ų140.390%0.90475%0.747SS**  trans-138.384.2154.5-126.6-77.4000105.3P396F394-P396 WeakPolarHBondContact O-CD 3.41Å
395E21.9Very low29.9Very low138 Ų138142 Ų14265%0.64575%0.749SS**  trans-95.9110.9176.1-170.975.3-126.100107.7W393W393-E395 HydrophobicContact CE3-CB 4.49Å; W393-E395 HydrophobicContact CH2-CB 3.81Å; W393-E395 HydrophobicContact CH2-CG 4.25Å; W393-E395 HydrophobicContact CZ2-CB 3.84Å; W393-E395 HydrophobicContact CZ3-CB 4.15Å
396P30.2Very low30.2Very low92 Ų92141.9 Ų141.960%0.59774%0.743SS**  trans-82.7122.6179.431.7-31.2000110.4F394 H398F394-P396 WeakPolarHBondContact O-CD 3.41Å; P396-H398 PolarHBondContact O-N 2.65Å
397Q26.8Very low30.5Very low192 Ų192138.6 Ų138.690%0.89773%0.734SS**  trans-68.5127.6163.1-78.8-151.3-13.500110V399Q397-V399 PolarHBondContact O-N 3.17Å
398H28.8Very low30.7Very low190 Ų190137.5 Ų137.588%0.8873%0.727SS**  trans-63.4113.4-177.8-77.7-99.2000112P396P396-H398 PolarHBondContact O-N 2.65Å
399V30.7Very low30.2Very low117 Ų117138 Ų13871%0.70973%0.731SS**  trans-89.2148146.4-173.30000107.3Q397Q397-V399 PolarHBondContact O-N 3.17Å
400G32.5Very low30.9Very low48 Ų48139.9 Ų139.950%0.49573%0.732SS.*  trans-61.5170.6-174.800000114.9W402G400-W402 PolarHBondContact O-N 3.38Å; G400-W402 VanDerWaalsContact O-N 3.08Å
401P31.1Very low31Very low141 Ų141135.3 Ų135.392%0.91672%0.717SS**  trans-58.3114.6-17624-34.1000111.8
402W32.8Very low31.6Very low184 Ų184139 Ų13970%0.69773%0.726SS**  trans-70.8138.7180-96.772.7000112.2G400G400-W402 PolarHBondContact O-N 3.38Å; G400-W402 VanDerWaalsContact O-N 3.08Å
403N34.9Very low32Very low99 Ų99139.6 Ų139.653%0.52973%0.725SS.*  trans-88.5124.2178.3-175.6-14.6000110.2N405N403-N405 PolarHBondContact O-N 3.46Å; N403-N405 PolarHBondContact OD1-N 2.93Å
404P35.8Very low32.3Very low122 Ų122137 Ų13779%0.79272%0.722SS**THydrogen-bonded Turntrans-63.5-7.7-177.3-25.335.5000116.8
405N32.6Very low32.6Very low127 Ų127132.5 Ų132.568%0.67971%0.713SS**THydrogen-bonded Turntrans-102.829-171.4-70.8-61.3000115.1N403N403-N405 PolarHBondContact O-N 3.46Å; N403-N405 PolarHBondContact OD1-N 2.93Å
406Q31.2Very low33.3Very low141 Ų141131.4 Ų131.466%0.65972%0.718SS**  trans-135.3131.7169.3-73.5-172.3-23.900111.9
407P32.6Very low33.5Very low100 Ų100132.6 Ų132.665%0.64973%0.726SS**PPolyproline II helixtrans-72.1151.816432.4-33.5000110.2
408P35.7Very low33.9Very low84 Ų84129.5 Ų129.555%0.54572%0.722SS.*PPolyproline II helixtrans-69153.7176.630.4-35.6000111.5F410P408-F410 PolarHBondContact O-N 3.31Å
409P31.4Very low34.1Very low127 Ų127125.7 Ų125.783%0.82572%0.716SS**PPolyproline II helixtrans-64.6127.3169.128.4-33.6000109.9D411P409-D411 PolarHBondContact O-N 2.98Å
410F38Very low34.2Very low196 Ų196125.1 Ų125.186%0.8672%0.715SS**PPolyproline II helixtrans-78.3117.5172.5-93.8-97.1000110.3P408P408-F410 PolarHBondContact O-N 3.31Å
411D36.6Very low34Very low94 Ų94128.9 Ų128.950%0.50373%0.73SS.*PPolyproline II helixtrans-77.7131.4164.8-172.8-19.8000109.1P409 N413P409-D411 PolarHBondContact O-N 2.98Å; D411-N413 PolarHBondContact O-N 3.17Å; D411-N413 PolarHBondContact OD1-N 2.99Å; D411-N413 PolarHBondContact OD1-ND2 3.43Å
412M38.7Very low34Very low184 Ų184133.7 Ų133.791%0.90673%0.73SS**THydrogen-bonded Turntrans-68.7-11.1179.5-97.4-168.167.500114.2
413N36.4Very low34Very low138 Ų138132 Ų13274%0.73874%0.735SS**THydrogen-bonded Turntrans-98.39.4-171.2-59.9-71.2000115.3D411D411-N413 PolarHBondContact O-N 3.17Å; D411-N413 PolarHBondContact OD1-N 2.99Å; D411-N413 PolarHBondContact OD1-ND2 3.43Å
414Q33.4Very low33.7Very low156 Ų156132.4 Ų132.473%0.72975%0.745SS**  trans-115.6130.2176.5-64.2-164.218.500113.2
415P33Very low33.3Very low112 Ų112135.2 Ų135.273%0.72775%0.748SS**PPolyproline II helixtrans-74.3150.3167.932.2-33.8000110.9
416P35.8Very low33.3Very low116 Ų116138 Ų13875%0.75376%0.757SS**PPolyproline II helixtrans-67.7153.1176.729.3-35.4000111.9
417P35.3Very low33.3Very low117 Ų117134.5 Ų134.576%0.7676%0.758SS**PPolyproline II helixtrans-66.2144.5177.728.3-35.2000111.7
418P33.7Very low33Very low126 Ų126138.7 Ų138.782%0.81877%0.771SS**PPolyproline II helixtrans-72.3137.617829.7-34.5000111.7
419C34.2Very low32.8Very low110 Ų110146.8 Ų146.874%0.74379%0.791SS**PPolyproline II helixtrans-67.5145.2166.7-65.50000110.7
420P31.7Very low32.5Very low105 Ų105147.6 Ų147.668%0.68279%0.788SS**PPolyproline II helixtrans-70.8149-177.229.1-35.6000112.6W422P420-W422 PolarHBondContact O-N 3.46Å
421P29Very low32Very low127 Ų127145.4 Ų145.483%0.82578%0.781SS**PPolyproline II helixtrans-74.1121.2176.230.1-33.6000111.1N423P421-N423 PolarHBondContact O-N 2.92Å; P421-N423 VanDerWaalsContact O-N 3.14Å
422W31.2Very low31.3Very low243 Ų243147.3 Ų147.392%0.9279%0.787SS**  trans-85.982.3179-155.7-80.7000112P420P420-W422 PolarHBondContact O-N 3.46Å
423N33.1Very low30.7Very low149 Ų149149 Ų14980%0.79778%0.783SS**  trans-15067.1169.8-159.520.7000114.1P421P421-N423 PolarHBondContact O-N 2.92Å; P421-N423 VanDerWaalsContact O-N 3.14Å
424S28.6Very low30.3Very low106 Ų106149.4 Ų149.474%0.74179%0.785SS**  trans-167.2103.2159.5-82.70000110.9
425H27.6Very low30.2Very low181 Ų181148.3 Ų148.384%0.83879%0.792SS**  -173.9115.5129.5-113.5-73.8000111.5
426E31.9Very low29.9Very low187 Ų187145.9 Ų145.987%0.87479%0.787SS**  trans-78.1158.7152.2-66.4-174.7118.700109.6
427G31.7Very low29.4Very low67 Ų67147.1 Ų147.169%0.69179%0.787SS**  trans79.975.4155.800000117.8
428M25.8Very low28.9Very low187 Ų187152.1 Ų152.192%0.92179%0.791SS**  trans-153.450.7149.1-148.972.972.400113.3
429W30.7Very low28.5Very low254 Ų254151.6 Ų151.696%0.96279%0.791SS**  trans-107.9107.9164.7-85104.4000109.9
430N25.8Very low28.1Very low144 Ų144150.2 Ų150.277%0.7780%0.795SS**  trans-154.9167152.1-137.3-58.9000110.7
431E27.1Very low27.7Very low150 Ų150148.9 Ų148.970%0.70180%0.8SS**  trans-80.1-179.8-166.5-61.5155.538.700111.5
432Q23.7Very low29.2Very low134 Ų134148.9 Ų148.963%0.62680%0.8SS**  cis-171.8141.432.7-155.1161.892.500113.9
433R25.2Very low29.7Very low219 Ų219143 Ų14383%0.82679%0.794SS**  trans57.6131.4152-72.4171-152.6-122.83.8123.4
434D27.3Very low29.6Very low147 Ų147145.6 Ų145.679%0.78679%0.792SS**  trans-57.4161.8148-70.7-93.1000114.1
435P33Very low29.7Very low134 Ų134148.8 Ų148.887%0.8780%0.801SS**  -137.9123.992.634-19.5000114.4
436G26.7Very low29.6Very low60 Ų60143.1 Ų143.162%0.61979%0.792SS**  trans-88.6-172.2176.700000115
437N24.9Very low29.2Very low143 Ų143137.4 Ų137.477%0.76578%0.783SS**  trans-158.9115.8168.7-13444000116.6
438W24.3Very low29.7Very low221 Ų221139.7 Ų139.784%0.83779%0.785SS**  trans78.5149.9135.6-78.748.4000125.3
439S25.9Very low29.8Very low116 Ų116141.7 Ų141.781%0.81178%0.783SS**  trans72.1133162.7-56.80000118
440G25.4Very low29.7Very low80 Ų80134.3 Ų134.383%0.82577%0.77SS**  cis-170156.5-400000111.5
441G23.3Very low29.5Very low77 Ų77131 Ų13179%0.79477%0.77SS**  trans-89170.4-167.500000117.4
442P60.3Low29.9Very low127 Ų127130.3 Ų130.383%0.82578%0.779SS**  trans-101.2179.5-17141.2-37.7000114.2
443P40.8Very low29.9Very low121 Ų121128 Ų12879%0.78679%0.79SS**  trans-135.2173.2148.739-26.1000114.8
444R31.8Very low29.7Very low202 Ų202120.8 Ų120.876%0.76279%0.785SS**  cis163.6136.4-39.3176.6-174.9-159.6-170.99.5108.5
445D29.6Very low29.6Very low173 Ų173119.9 Ų119.993%0.92579%0.79SS**  trans-166.1141.3146.7-97-35.6000109.1
446G26Very low29.4Very low63 Ų63122.1 Ų122.165%0.64979%0.789SS**  cis-146.7172.7-5.900000111.4
447G23.4Very low29.8Very low67 Ų67125 Ų12569%0.69180%0.796SS**  trans-93.9-154.4-175.700000115.1
448P42.2Very low29.7Very low114 Ų114121.1 Ų121.174%0.7479%0.79SS**  cis-142.2156.213.141-21.8000119.6
449W29.1Very low30.1Very low229 Ų229117.1 Ų117.187%0.86779%0.792SS**  trans41.9144.1132.9-61.662.1000121.6
450S28.3Very low30.5Very low100 Ų100117.1 Ų117.170%0.69979%0.79SS**  cis-165.6168.6-5.7-98.20000111.5
451G20.9Very low30.4Very low74 Ų74118.2 Ų118.276%0.76379%0.785SS**  trans-85.3-151.6-176.700000116.2
452P36.2Very low30.6Very low136 Ų136126.7 Ų126.788%0.88379%0.793SS**  cis-141.3167.723.742.7-25000118.8
453G22.3Very low29Very low84 Ų84127.8 Ų127.887%0.86679%0.792SS**  trans110.1115.8134.400000121
454G22.9Very low28.2Very low69 Ų69126.6 Ų126.671%0.71179%0.786SS**  trans119.6117.313800000120.3
455S24.2Very low27.8Very low128 Ų128125.2 Ų125.290%0.89579%0.786SS**  trans70.2141.7153.926.40000122.1
456E28.7Very low27.8Very low181 Ų181123.9 Ų123.985%0.84678%0.779SS**  trans-67.4173.6165.7-77-169.99900113.1
457P35.7Very low28Very low120 Ų120128 Ų12878%0.77978%0.782SS**  cis-144169.720.642.9-24.2000119.4
458G23.3Very low28.1Very low62 Ų62133.1 Ų133.164%0.63979%0.787SS**  trans80.2133.5136.600000119.9
459P31.1Very low27.4Very low136 Ų136135.2 Ų135.288%0.88379%0.792SS**  trans-100.5130.3172.935.6-29.6000113.6
460P34.2Very low28.2Very low116 Ų116128.4 Ų128.475%0.75378%0.777SS**  trans-125.7140162.836.4-24.4000114
461S24.2Very low28.2Very low104 Ų104135.2 Ų135.273%0.72779%0.788SS**  trans51.2129.9149-157.80000120.9
462W28Very low28.3Very low254 Ų254135 Ų13596%0.96279%0.785SS**  trans-124.3120.4151.3-88.187.7000110.3
463N27.1Very low27.7Very low150 Ų150135.8 Ų135.880%0.80278%0.782SS**  trans-154.9155.2169.4-155.5-7.8000108.4
464S22.1Very low27.8Very low96 Ų96140.9 Ų140.967%0.67178%0.783SS**  trans72.3130.8-173.2-158.40000117
465F25.2Very low28Very low173 Ų173142.9 Ų142.976%0.75978%0.782SS**  trans-133.9107.3152.7-177.5-83.3000106.8Q467F465-Q467 HydrophobicContact CE1-CG 3.89Å; F465-Q467 HydrophobicContact CE2-CG 4.34Å; F465-Q467 VanDerWaalsContact CZ-CD 3.41Å; F465-Q467 HydrophobicContact CZ-CG 3.75Å; F465-Q467 VanDerWaalsContact CZ-NE2 3.32Å
466D27.8Very low28.1Very low145 Ų145142.9 Ų142.978%0.77577%0.772SS**  trans-140.3129.7173.5-162.6-15.8000106.8
467Q30.6Very low27.9Very low150 Ų150142.5 Ų142.570%0.70177%0.77SS**  trans-119.5111.4-172.1-79-166.3-1500111.2F465F465-Q467 HydrophobicContact CE1-CG 3.89Å; F465-Q467 HydrophobicContact CE2-CG 4.34Å; F465-Q467 VanDerWaalsContact CZ-CD 3.41Å; F465-Q467 HydrophobicContact CZ-CG 3.75Å; F465-Q467 VanDerWaalsContact CZ-NE2 3.32Å
468Q25.9Very low28.7Very low174 Ų174141.8 Ų141.881%0.81377%0.765SS**  trans-75.5165.6165.9-64.2-176.2-13.800111.6
469L27.5Very low29.5Very low158 Ų158143.7 Ų143.783%0.82777%0.766SS**  166.8163.9122.7-82.2165.6000108.5
470P45.7Very low29.2Very low86 Ų86148.9 Ų148.956%0.55877%0.768SS**  -138.2-162.2-71.638-17.6000113.8
471W28Very low28.8Very low244 Ų244146.7 Ų146.792%0.92477%0.767SS**  trans112.3126.7158.2-60.3113.5000117.8
472G23.4Very low28.8Very low69 Ų69150.2 Ų150.271%0.71177%0.772SS**  trans-106.6-159.3156.100000110.1
473N25Very low28.6Very low153 Ų153149.1 Ų149.182%0.81877%0.768SS**  cis-162.2145.65.9-168.817.7000109.3
474Q24.5Very low28.9Very low190 Ų190147.7 Ų147.789%0.88876%0.756SS**  trans-161.4148.6165.4-134.4167105.900112.2
475T25.8Very low30Very low111 Ų111146.1 Ų146.168%0.68174%0.744SS**  trans-95.1176.8-174.757.70000111.4
476D26.8Very low29.9Very low129 Ų129139.6 Ų139.669%0.6972%0.719SS**  cis-157.9152.527-119-61000114.4
477Q25.3Very low29.9Very low173 Ų173140.3 Ų140.381%0.80872%0.716SS**  trans62.3159.5152.6-63.1-107.25.600123.6
478P50.7Low30.6Very low105 Ų105138.5 Ų138.568%0.68272%0.717SS**  trans-119.8-146-168.235.6-11.9000111.5
479P40Very low31.1Very low101 Ų101136.1 Ų136.166%0.65672%0.717SS**  cis-146.2-168.3-4.146.9-26.6000118.4
480W26.5Very low31.2Very low245 Ų245140.1 Ų140.193%0.92872%0.721SS**  trans43100.3154.3-63112.8000123.2
481G24.6Very low30.2Very low70 Ų70144.2 Ų144.272%0.72274%0.735SS**  70.8163.511400000124.4
482Q25.3Very low30Very low179 Ų179140.9 Ų140.984%0.83673%0.73SS**  trans74153.5174.5-53.2-68.5-15.400115.7
483R23.1Very low30.4Very low231 Ų231146.5 Ų146.587%0.87273%0.729SS**  cis-155.4162.97.8-143.2173.9-166.1-177.26.2112
484E32.3Very low30.4Very low120 Ų120144.7 Ų144.756%0.56173%0.726SS**  trans-129.3124.5-165.5-135.6-133.712900111.3K787 R788 R789E484-K787 CarbonylContact C-O 3.57Å; E484-K787 WeakPolarHBondContact CB-O 3.37Å; E484-K787 WeakPolarHBondContact CG-O 3.19Å; E484-K787 CarbonylContact O-C 3.15Å; E484-K787 WeakPolarHBondContact O-CA 3.4Å; E484-K787 WeakPolarHBondContact O-CB 3.25Å; E484-K787 VanDerWaalsContact O-O 3.11Å; E484-R788 CarbonylContact C-O 3.18Å; E484-R788 VanDerWaalsContact CA-O 3.3Å; E484-R788 WeakPolarHBondContact CA-O 3.44Å; E484-R788 WeakPolarHBondContact CG-O 3.45Å; E484-R788 WeakPolarHBondContact OE1-CA 3.39Å; E484-R789 PolarHBondContact OE1-N 3.44Å
485P45.7Very low30.5Very low62 Ų62141.5 Ų141.540%0.40372%0.721SS.*  trans-119.3116.2178.8-226.9000126.3K787 R788P485-K787 VanDerWaalsContact C-C 3.48Å; P485-K787 VanDerWaalsContact CA-C 3.44Å; P485-K787 HydrophobicContact CB-CB 4.37Å; P485-K787 HydrophobicContact CB-CD 3.96Å; P485-K787 HydrophobicContact CB-CG 3.93Å; P485-R788 WeakPolarHBondContact CD-O 3.27Å; P485-R788 VanDerWaalsContact O-CB 3.23Å; P485-R788 WeakPolarHBondContact O-CB 3.46Å; P485-R788 WeakPolarHBondContact O-CD 3.39Å; P485-R788 WeakPolarHBondContact O-CG 3.36Å; P485-R788 VanDerWaalsContact O-CZ 3.27Å; P485-R788 PolarHBondContact O-N 2.99Å; P485-R788 PolarHBondContact O-NE 3.21Å; P485-R788 PolarHBondContact O-NH1 3.29Å
486S24.1Very low30.5Very low36 Ų36144.4 Ų144.425%0.25273%0.727SS.*  trans-29.2129.8-173.1-77.20000128.8K787 R788S486-K787 VanDerWaalsContact CB-CG 3.46Å; S486-K787 VanDerWaalsContact N-C 3.3Å; S486-K787 WeakPolarHBondContact OG-CA 3.41Å; S486-K787 WeakPolarHBondContact OG-CB 3.41Å; S486-K787 WeakPolarHBondContact OG-CG 3.34Å; S486-R788 VanDerWaalsContact CA-CG 3.42Å; S486-R788 PolarHBondContact O-NE 2.92Å; S486-R788 PolarHBondContact O-NH2 3.08Å
487F27.2Very low30.6Very low161 Ų161146.7 Ų146.771%0.70673%0.731SS**  trans38.2-167.2144.7-73.8-81.6000120.9R788F487-R788 PolarHBondContact O-NE 3.01Å; F487-R788 VanDerWaalsContact O-NE 3.16Å; F487-R788 PolarHBondContact O-NH2 3.21Å
488P45.8Very low30.6Very low112 Ų112148.4 Ų148.473%0.72773%0.73SS**  cis-108.7-144.4-24.142.8-27.8000110.5
489P35.3Very low29.6Very low124 Ų124145.8 Ų145.881%0.80572%0.723SS**  cis-133-155.4-17.142.3-22.1000114.7
490R30.6Very low29.5Very low241 Ų241147.1 Ų147.191%0.90973%0.731SS**  trans-142.1120.3168.9168.7-178.1170.6154.9-2112.4
491M25.2Very low29.6Very low172 Ų172144.7 Ų144.785%0.84773%0.727SS**  trans-152129.3165.4-82.9-163.8167.900109
492Q23.8Very low30Very low175 Ų175145.6 Ų145.682%0.81873%0.728SS**  72.889.579.1-66.1-142.27100116.2
493R30.7Very low30.6Very low187 Ų187142.9 Ų142.971%0.70673%0.726SS**  trans41.1111.4137.5-165.3179.5-162.3173.15.9121.2
494P25.4Very low31.1Very low115 Ų115140.5 Ų140.575%0.74772%0.724SS**  trans-84.6168.8143.3-15.833.2000113.4
495P26.9Very low30.9Very low122 Ų122143 Ų14379%0.79274%0.736SS**  trans-103.5-177.6-15940.3-37000116.8
496H26.2Very low30.1Very low172 Ų172148.2 Ų148.280%0.79676%0.755SS**  trans-90.2149.2-176.9-48.3-99000114
497F27.4Very low31Very low177 Ų177151.7 Ų151.778%0.77678%0.777SS**  trans177148.4135-116-128.9000107.9
498R25.8Very low31.4Very low209 Ų209149.8 Ų149.879%0.78978%0.78SS**  cis-164108.4-19.6169.5-164.7-102.7-151.2-2.9105.2
499G29.9Very low30.8Very low51 Ų51150.6 Ų150.653%0.52679%0.785SS.*  92.5168.2105.600000112.7
500P38.5Very low30.9Very low128 Ų128154.5 Ų154.583%0.83179%0.79SS**  cis-99166.83.25.516.7000114.9
501F28.1Very low30.8Very low195 Ų195149.6 Ų149.686%0.85578%0.782SS**  trans-135.5-176.2173.4-58.5-92.7000107.3
502A31.8Very low30.9Very low89 Ų89148.8 Ų148.874%0.73678%0.776SS**  cis-164.5-164.11600000108
503P39.2Very low31Very low121 Ų121148.1 Ų148.179%0.78678%0.777SS**  cis-134.8-178.8-1337.9-18.8000115.2
504H33.1Very low31Very low181 Ų181144.9 Ų144.984%0.83878%0.781SS**  trans-108.1163.8164.4-145.675.2000108.6
505Q29.3Very low31.3Very low172 Ų172145.2 Ų145.280%0.80478%0.783SS**  trans-145156169.9-93.5-59.410.700116.3
506Q27.4Very low31.5Very low173 Ų173145.2 Ų145.281%0.80878%0.783SS**  trans-130.9174.1172.7-101.3-134.50.700110.4
507P43.8Very low32.1Very low109 Ų109142.4 Ų142.471%0.70878%0.78SS**PPolyproline II helixtrans-95.2160.1-154.436.3-37.1000116.7
508P34.5Very low32.2Very low120 Ų120142.8 Ų142.878%0.77978%0.784SS**PPolyproline II helixtrans-99.8167.4165.538.9-33000113.5
509P34.2Very low32.2Very low129 Ų129139.5 Ų139.584%0.83878%0.782SS**PPolyproline II helixtrans-91.1171.4-176.636.2-36.5000116.1
510F37.6Very low32.1Very low207 Ų207146.7 Ų146.791%0.90880%0.799SS**  trans-35132-177.7-104.6-114.1000118.9
511N27.1Very low31.5Very low138 Ų138143.8 Ų143.874%0.73879%0.792SS**  -162.3141.6126.3-128.2-10.2000114.5
512Q28.2Very low31.5Very low155 Ų155146.2 Ų146.272%0.72480%0.796SS**  trans65113156.3-58.4-179.636.100122.8
513L26.6Very low31.2Very low160 Ų160151.4 Ų151.484%0.83880%0.802SS**  trans43.7128.4136-61.4173.8000123
514P29.9Very low31.8Very low120 Ų120150.7 Ų150.778%0.77980%0.798SS**PPolyproline II helixtrans-94.3143.716836.3-32.4000114.5
515P31.8Very low31.8Very low121 Ų121148.1 Ų148.179%0.78680%0.797SS**PPolyproline II helixtrans-86.1172.4169.134.9-34000113.6
516P30.9Very low31.9Very low122 Ų122151.4 Ų151.479%0.79280%0.802SS**PPolyproline II helixtrans-98.2168.2-154.437.8-37.7000117
517P38.1Very low31.8Very low114 Ų114153 Ų15374%0.7481%0.806SS**PPolyproline II helixtrans-99.9138.8179.736.9-32.5000114.9
518H29.9Very low31.2Very low184 Ų184152.9 Ų152.985%0.85280%0.804SS**  trans-167.8157.1162.6-106.264.7000107.1
519N25.9Very low30.9Very low140 Ų140154.7 Ų154.775%0.74980%0.802SS**  cis-148.1179.9-0.1-160.2-2.6000110.5
520F29.3Very low30.4Very low203 Ų203156.1 Ų156.189%0.8980%0.797SS**  trans-78.8135-176.4-91.8-111.1000116.1
521G25.4Very low29.9Very low67 Ų67152.7 Ų152.769%0.69179%0.788SS**  88128.4126.100000120.8
522R26.8Very low29.8Very low245 Ų245154.2 Ų154.293%0.92579%0.788SS**  trans-167.4151.8139.2-84.2-123.3-165.1-72.80.7111.2
523F26.6Very low29.7Very low198 Ų198152.5 Ų152.587%0.86879%0.789SS**  trans-134.4168.7162.4-84.4-78.3000106.5
524P51.2Low30.7Very low107 Ų107150 Ų15070%0.69578%0.782SS**  cis-116-151-35.633.3-14000109.2
525P34.2Very low30.4Very low126 Ų126155 Ų15582%0.81879%0.786SS**  -140.417299.338.1-25000114.8
526R29.7Very low30.8Very low242 Ų242157.6 Ų157.691%0.91379%0.787SS**PPolyproline II helixtrans-100.9164172.1-83.3-168173.7-157.80.1111.7
527F26.7Very low30.5Very low206 Ų206158.5 Ų158.590%0.90478%0.78SS**PPolyproline II helixtrans-82.7151.5166.6-114.8-101.2000113
528V30.1Very low29.8Very low107 Ų107162.3 Ų162.365%0.64878%0.781SS**PPolyproline II helixtrans-72.7166.5172.8-81.10000112.6
529Q28Very low29.7Very low158 Ų158159.7 Ų159.774%0.73877%0.774SS**  cis-174.4-175.3-14.7175172.4-39.100109
530E25.3Very low29.7Very low158 Ų158163.7 Ų163.774%0.73878%0.778SS**  trans97129.8161.5-54.7-179.3157.600113.9
531D26.9Very low30.3Very low136 Ų136159.3 Ų159.373%0.72777%0.77SS**  cis-136.617922.9-101-42.2000117.4
532F23.5Very low31.3Very low169 Ų169161.3 Ų161.374%0.74177%0.771SS**  trans-43.3150.2-174.4-72.6-118000117.9
533T26Very low31.3Very low119 Ų119160.3 Ų160.373%0.7377%0.768SS**  cis82171.43379.80000115.7
534P48.4Very low31.6Very low108 Ų108157 Ų15770%0.70177%0.765SS**  -138.2167.6-60.737.5-21000115.8
535R24.5Very low30.5Very low226 Ų226155.9 Ų155.985%0.85376%0.759SS**  trans-178.5154.8133-112.4176.5162.2143.8-3.7116.1
536H40.5Very low30.3Very low175 Ų175158.5 Ų158.581%0.8176%0.76SS**  trans-97.4166.5163.5-52.2-105.6000110.4
537H23.8Very low30.1Very low141 Ų141156.3 Ų156.365%0.65375%0.752SS**  trans174.1137.4140.1-99.9-55.6000115.9
538Y24.1Very low30.3Very low194 Ų194154.1 Ų154.176%0.76174%0.742SS**  trans56.7156.6157.7-68.1-77.1000119.8
539D26.3Very low30Very low129 Ų129155.6 Ų155.669%0.6975%0.747SS**  cis-167.8-173.3-39-133-71.9000114.1
540R27.5Very low30Very low223 Ų223157.9 Ų157.984%0.84275%0.75SS**  trans-37.5-178.9164.2-97173.9155.8-161.1-4.9120.1
541P41.1Very low31Very low112 Ų112154.9 Ų154.973%0.72774%0.744SS**  cis-130.3-128.7-0.726.81.2000115.8
542P45.7Very low31.3Very low108 Ų108156.4 Ų156.470%0.70175%0.747SS**  -133161.9-103.144-26.7000120.4
543Y28.1Very low31.5Very low224 Ų224151.7 Ų151.788%0.87875%0.746SS**  trans49.8119.4147-106.5-86000124.4
544T31.6Very low31.5Very low130 Ų130149.5 Ų149.580%0.79875%0.747SS**  trans161.4164.4133.7350000110.6
545S28.4Very low30.4Very low82 Ų82153.5 Ų153.557%0.57376%0.756SS**  cis-169.2166.4-36.9570000111.9
546H29.7Very low30.9Very low181 Ų181153.6 Ų153.684%0.83876%0.759SS**  trans67.6155.7175.6-49.7-70.4000118.3
547R25.2Very low31.1Very low196 Ų196151.3 Ų151.374%0.7476%0.759SS**  cis-168.2127.8-36.3179.8-174.1172.1173-1.2111.2
548F31.7Very low31.2Very low160 Ų160147.4 Ų147.470%0.70276%0.757SS**  trans65.1161.3160.6-79.6-139.2000116.7
549D23.7Very low31.4Very low138 Ų138146.3 Ų146.374%0.73876%0.764SS**  cis-142.7177.313.5-135.9-37.3000114.5
550Y27.5Very low31.8Very low207 Ų207147.9 Ų147.981%0.81277%0.77SS**  trans-111.3-174.5177.8-125.9-124.9000110.8
551P47.9Very low32.1Very low95 Ų95143.3 Ų143.362%0.61777%0.769SS**  cis-118-158.6-5.445.3-30.9000111.6
552Q31.3Very low31.5Very low167 Ų167140.6 Ų140.678%0.7876%0.761SS**  cis-155.1176.5-2.6-137.7146.7-28.100106.3
553G28.5Very low31Very low70 Ų70141.6 Ų141.672%0.72277%0.768SS**  cis96.4113.41100000112.2
554G26.4Very low31.5Very low73 Ų73136.2 Ų136.275%0.75376%0.76SS**  cis-168.3-151.1-2.700000109.3
555E24.5Very low31.2Very low192 Ų192137.2 Ų137.290%0.89776%0.76SS**  cis-154.3-174.1-0.4-68-166.910200110.1
556Y36.3Very low31.4Very low229 Ų229140.5 Ų140.590%0.89877%0.766SS**  trans-132.7158.9165.4-98.9-102.8000106.6
557P43.2Very low31.2Very low126 Ų126140.2 Ų140.282%0.81876%0.764SS**  cis-146.3-154.535.443.4-22.1000114.2
558G26.6Very low31.7Very low60 Ų60139.6 Ų139.662%0.61977%0.77SS**  trans13396.3146.100000118.8
559D27.9Very low32Very low170 Ų170138.1 Ų138.191%0.90978%0.776SS**  trans46.2147.7140.4-64.5-67.1000125.9
560M34.2Very low32.2Very low163 Ų163138.9 Ų138.980%0.80378%0.78SS**  trans-90.7156.8171-152.3-152.9-170.300110.1
561P35.2Very low32.4Very low127 Ų127137.2 Ų137.283%0.82578%0.779SS**  -143.5173.390.931.4-12000114.7
562G27.7Very low31.5Very low54 Ų54143.1 Ų143.156%0.55779%0.789SS**  trans-90.6176.7-172.200000117.2
563P36.5Very low31.3Very low130 Ų130143.5 Ų143.584%0.84479%0.793SS**  trans-103.6159.6-17039-35.3000115.4
564P37Very low32.1Very low111 Ų111145 Ų14572%0.72179%0.791SS**  trans-119.1123.8166.335.2-23000116.1
565L26.1Very low33.4Very low151 Ų151147.1 Ų147.179%0.79179%0.791SS**  trans69116.8134.7-51.9176.9000123.6
566H31.8Very low34.3Very low150 Ų150144 Ų14469%0.69479%0.787SS**  62.4116.9128.8-71-44.4000124.4
567H25.9Very low33.9Very low175 Ų175137.1 Ų137.181%0.8178%0.778SS**  167.3174100-87.8-39.4000114.1
568H35.4Very low33.3Very low184 Ų184139.7 Ų139.785%0.85278%0.783SS**  trans-117161179-62.8-75.6000112.2
569P37.7Very low33.3Very low129 Ų129140.1 Ų140.184%0.83879%0.788SS**  -149-166.8114.436.4-17.2000116.3
570N28.3Very low33.3Very low153 Ų153136.1 Ų136.182%0.81878%0.778SS**  trans-109172-171-62.6-82.2000114.4
571Q32.9Very low33.1Very low172 Ų172135.7 Ų135.780%0.80478%0.779SS**  158.2121.6123-75.7-93.728.200117.3
572R28.1Very low32.8Very low219 Ų219138.7 Ų138.783%0.82678%0.782SS**  66.7103.8123.4-143.4177-169.2-153.53.8126.8
573M26.8Very low33.2Very low175 Ų175141.8 Ų141.886%0.86279%0.792SS**  trans81.1159.9132.5-71.7-145.7112.800125.8
574P45.3Very low33.8Very low103 Ų103140.5 Ų140.567%0.66978%0.784SS**  trans-117.2-157.4-161.147.9-34.8000113.3
575P53.3Low33.5Very low116 Ų116147.6 Ų147.675%0.75380%0.796SS**  cis-129.4-148.34.748.3-27.7000112.2
576P44.3Very low33.5Very low126 Ų126144.1 Ų144.182%0.81880%0.797SS**  cis-123.5-115.28.937.7-15.3000119.2
577A28.6Very low33.2Very low85 Ų85144.1 Ų144.170%0.70281%0.808SS**  trans-159.1-168.6-132.400000117
578I29.9Very low33.2Very low180 Ų180139.5 Ų139.592%0.92381%0.807SS**  trans80.6149.2-176.4-53.4175000112.4
579G26.8Very low32.9Very low70 Ų70139.8 Ų139.872%0.72281%0.809SS**  cis159.2171.6-2.200000109
580A28.8Very low32.2Very low86 Ų86142.3 Ų142.371%0.71181%0.809SS**  cis-164.7173.8-10.400000110.7
581D29.4Very low32.7Very low154 Ų154139.7 Ų139.782%0.82480%0.801SS**  trans44.5132.8164-62.4-47.6000124.9
582H28.4Very low32.7Very low189 Ų189138.4 Ų138.488%0.87580%0.799SS**  trans-160.9139.7165.9-83.6-66.5000113.9
583P36.7Very low32.7Very low119 Ų119138 Ų13877%0.77380%0.804SS**  trans-129.6-169.4156.645.5-32000111.5
584P48.8Very low32.7Very low104 Ų104133 Ų13368%0.67580%0.797SS**  -136.9168.5-93.138.3-18000118.3
585W30.2Very low31.9Very low260 Ų260133 Ų13399%0.98581%0.806SS**  trans71138.9166.7-61.6101.6000120.2
586G25.3Very low30.8Very low77 Ų77133.1 Ų133.179%0.79481%0.807SS**  trans169.5144.4171.800000113.3
587T26.5Very low30.2Very low151 Ų151136 Ų13693%0.92681%0.81SS**  trans-118.9146.3-170.951.10000113.7
588G26.5Very low30.3Very low78 Ų78141.4 Ų141.480%0.80482%0.82SS**  trans166.1118162.700000119.6
589Q27.8Very low30.1Very low190 Ų190135.7 Ų135.789%0.88881%0.806SS**  trans7.1131.7152-68.1179.8-7.800124.8
590H24.6Very low30.6Very low181 Ų181142.7 Ų142.784%0.83882%0.816SS**  trans67.2169.7134.8-121.9-129.4000120.3
591P36.9Very low30.7Very low99 Ų99145.2 Ų145.264%0.64382%0.818SS**  -121.9169.1-69.240.2-29000115.8
592D34Very low31.2Very low145 Ų145141.4 Ų141.478%0.77582%0.816SS**  trans25.8121.6150.2-157.74.3000122
593F28Very low31.2Very low209 Ų209140 Ų14092%0.91781%0.809SS**  trans-169.9124135.8-115.6-71.4000113.6
594G27Very low30.8Very low71 Ų71139.8 Ų139.873%0.73281%0.81SS**  trans50.3118.6143.600000122.5
595A28.6Very low30Very low102 Ų102140.7 Ų140.784%0.84382%0.816SS**  trans-115.9130.3167.300000112.7
596P30.5Very low30Very low120 Ų120136.9 Ų136.978%0.77981%0.809SS**  trans-93.1133.4178.733.3-32.4000114.5
597Q30.1Very low30.3Very low187 Ų187142.5 Ų142.587%0.87482%0.817SS**  trans47.187.8150.4-67.1-68.2-38.200118G599Q597-G599 PolarHBondContact O-N 2.87Å
598H30.7Very low30.4Very low197 Ų197146.2 Ų146.291%0.91281%0.814SS**  trans-75.4114.6172.3-111.5-77.7000113.2
599G26.8Very low30.6Very low61 Ų61151.3 Ų151.363%0.62982%0.817SS**  trans-69.4155.417100000114Q597 N601Q597-G599 PolarHBondContact O-N 2.87Å; G599-N601 PolarHBondContact O-N 3.47Å
600F37.1Very low30.6Very low216 Ų216151.6 Ų151.695%0.94781%0.809SS**SBendtrans-63.496.6-177.2-175.1-90.5000112.8
601N30Very low30.8Very low139 Ų139151.9 Ų151.974%0.74381%0.811SS**  trans-156128.9163.2-122.9-20000112.6G599 H603G599-N601 PolarHBondContact O-N 3.47Å; N601-H603 PolarHBondContact O-N 2.89Å
602G40.7Very low30.4Very low75 Ų75153.3 Ų153.377%0.77381%0.809SS**  trans-83.797.8-171.900000113.9
603H27.5Very low30.5Very low159 Ų159151.5 Ų151.574%0.73681%0.805SS**  trans-134.6113.1163.9-6695.5000110.1N601 P605N601-H603 PolarHBondContact O-N 2.89Å; H603-P605 WeakPolarHBondContact O-CD 3.43Å
604S29.3Very low31.2Very low114 Ų114147.5 Ų147.580%0.79780%0.797SS**PPolyproline II helixtrans-69.7126.2158.3-58.50000107.8H606S604-H606 PolarHBondContact O-N 3.38Å
605P30.9Very low32Very low124 Ų124152 Ų15281%0.80580%0.799SS**PPolyproline II helixtrans-57.8124.8172.4-2333.8000109.3H603 M607H603-P605 WeakPolarHBondContact O-CD 3.43Å; P605-M607 PolarHBondContact O-N 3.3Å; P605-M607 VanDerWaalsContact O-N 3.17Å
606H31.3Very low33Very low180 Ų180152.4 Ų152.483%0.83379%0.787SS**PPolyproline II helixtrans-62.2120.9166.3-79.6-30000108S604 R608S604-H606 PolarHBondContact O-N 3.38Å; H606-R608 PolarHBondContact O-N 3.06Å
607M31Very low34.4Very low195 Ų195150 Ų15096%0.96177%0.768SS**  trans-63.486.4153.9-84.3-146.2161.900108.1P605 H609P605-M607 PolarHBondContact O-N 3.3Å; P605-M607 VanDerWaalsContact O-N 3.17Å; M607-H609 PolarHBondContact O-N 3.08Å
608R29.5Very low35.9Very low229 Ų229146.1 Ų146.186%0.86476%0.759SS**  trans-54123.4168.4-172179.5-171176.42.1106.2H606 R610H606-R608 PolarHBondContact O-N 3.06Å; R608-R610 PolarHBondContact O-N 3.45Å
609H30.5Very low37.4Very low185 Ų185140.9 Ų140.986%0.85675%0.745SS**  trans-70.275.5-174.8-150.558000110M607 Q611M607-H609 PolarHBondContact O-N 3.08Å; H609-Q611 PolarHBondContact O-N 3.48Å
610R27Very low39.2Very low196 Ų196140 Ų14074%0.7473%0.725SS**  trans-69.7119.9163.1-170-179.1-160.2-173.55.6105R608 H612R608-R610 PolarHBondContact O-N 3.45Å; R610-H612 VanDerWaalsContact C-N 3.27Å; R610-H612 PolarHBondContact O-N 3.17Å
611Q28.4Very low40.7Very low187 Ų187132.4 Ų132.487%0.87470%0.696SS**  trans-65.799.5162.7-72.8175.8-5300106.1H609H609-Q611 PolarHBondContact O-N 3.48Å
612H29.2Very low42.3Very low129 Ų129126.9 Ų126.960%0.59767%0.668SS**  trans-67.2144.3161.9-80.7-117.9000107.3R610R610-H612 VanDerWaalsContact C-N 3.27Å; R610-H612 PolarHBondContact O-N 3.17Å
613P36.1Very low43.5Very low107 Ų107131.3 Ų131.370%0.69567%0.674SS**  trans-56.9145.3165.928.1-34.3000108.4Q615P613-Q615 PolarHBondContact O-N 3.3Å
614V43.9Very low45.3Very low124 Ų124127.1 Ų127.175%0.75266%0.66SS**  trans-58.2115.3178.4-179.60000108.1
615Q42.9Very low47Very low165 Ų165124.9 Ų124.977%0.77164%0.642SS**  trans-94.3108.4163.5-71.2-169-58.200106.5P613 D617P613-Q615 PolarHBondContact O-N 3.3Å; Q615-D617 PolarHBondContact O-N 3.02Å
616D50.3Low48.4Very low111 Ų111124.5 Ų124.559%0.59463%0.626SS**  trans-72.273166.2-79.7-64.8000109.6P618 R654D616-P618 VanDerWaalsContact O-CD 3.32Å; D616-P618 WeakPolarHBondContact O-CD 3.17Å; D616-R654 IonicContact OD1-CZ 3.61Å; D616-R654 IonicContact OD1-NE 2.67Å; D616-R654 IonicContact OD1-NH2 3.17Å; D616-R654 PolarHBondContact OD1-NH2 2.88Å
617D59.7Low49.9Very low71 Ų71121 Ų12138%0.3861%0.608SS.*  trans-74.9111.7164.9-172.5-28.1000108.1Q615 S619 L620Q615-D617 PolarHBondContact O-N 3.02Å; D617-S619 VanDerWaalsContact CG-OG 3.24Å; D617-S619 PolarHBondContact O-N 3.4Å; D617-S619 VanDerWaalsContact OD1-CB 3.27Å; D617-S619 WeakPolarHBondContact OD1-CB 3.18Å; D617-S619 PolarHBondContact OD1-N 3.19Å; D617-S619 PolarHBondContact OD1-OG 3.39Å; D617-S619 PolarHBondContact OD2-OG 2.95Å; D617-L620 HydrophobicContact CB-CD1 4.25Å; D617-L620 HydrophobicContact CB-CG 4.27Å; D617-L620 PolarHBondContact O-N 3.41Å; D617-L620 VanDerWaalsContact O-N 3.17Å
618P60.8Low51.4Low105 Ų105116 Ų11668%0.68259%0.585SS**G310 helixtrans-65.9-18.1-177.728.2-35.1000112.7D616 L620 V621D616-P618 VanDerWaalsContact O-CD 3.32Å; D616-P618 WeakPolarHBondContact O-CD 3.17Å; P618-L620 PolarHBondContact O-N 3.17Å; P618-V621 WeakPolarHBondContact O-CB 3.36Å; P618-V621 PolarHBondContact O-N 3.13Å
619S63.1Low53.2Low87 Ų87106.9 Ų106.961%0.60855%0.553SS**G310 helixtrans-72.5-16.4176.973.70000113.8D617D617-S619 VanDerWaalsContact CG-OG 3.24Å; D617-S619 PolarHBondContact O-N 3.4Å; D617-S619 VanDerWaalsContact OD1-CB 3.27Å; D617-S619 WeakPolarHBondContact OD1-CB 3.18Å; D617-S619 PolarHBondContact OD1-N 3.19Å; D617-S619 PolarHBondContact OD1-OG 3.39Å; D617-S619 PolarHBondContact OD2-OG 2.95Å
620L63.2Low54.6Low42 Ų42103.4 Ų103.422%0.2255%0.547CS..G310 helixtrans-90.9-3.3175.2-61.1-179.2000112.9D617 P618 R654 L655D617-L620 HydrophobicContact CB-CD1 4.25Å; D617-L620 HydrophobicContact CB-CG 4.27Å; D617-L620 PolarHBondContact O-N 3.41Å; D617-L620 VanDerWaalsContact O-N 3.17Å; P618-L620 PolarHBondContact O-N 3.17Å; L620-R654 HydrophobicContact CB-CB 4.38Å; L620-R654 CarbonylContact O-C 3.5Å; L620-R654 VanDerWaalsContact O-CA 3.24Å; L620-R654 WeakPolarHBondContact O-CA 3.26Å; L620-L655 PolarHBondContact O-N 2.91Å
621V68.3Low56Low56 Ų5698 Ų9834%0.33954%0.544SS..SBendtrans-74.4132.3172.5-174.30000109P618 N623P618-V621 WeakPolarHBondContact O-CB 3.36Å; P618-V621 PolarHBondContact O-N 3.13Å; V621-N623 PolarHBondContact O-N 3.06Å
622P64.6Low57.4Low23 Ų2389.5 Ų89.515%0.14951%0.507CS..  trans-60124172.1-24.134.5000111.9V624 L629 I653 L655P622-V624 WeakPolarHBondContact CB-O 3.29Å; P622-V624 PolarHBondContact O-N 3.36Å; P622-L629 HydrophobicContact CB-CD1 4.06Å; P622-L629 HydrophobicContact CB-CD2 4.34Å; P622-L629 HydrophobicContact CG-CD1 4.09Å; P622-I653 WeakPolarHBondContact CD-O 3.32Å; P622-I653 HydrophobicContact CG-CG2 3.98Å; P622-L655 HydrophobicContact CG-CD2 4.39Å; P622-L655 HydrophobicContact CG-CG 4.33Å
623N66.4Low58.8Low168 Ų16888.6 Ų88.690%0.89851%0.506SS*.SBendtrans-69-7175.5-72.1-38.4000114V621V621-N623 PolarHBondContact O-N 3.06Å
624V64.8Low59.5Low72 Ų7288.6 Ų88.644%0.43650%0.498SS..SBendtrans-129.8153.4178.1-63.20000109.7P622 D628 L629P622-V624 WeakPolarHBondContact CB-O 3.29Å; P622-V624 PolarHBondContact O-N 3.36Å; V624-D628 HydrophobicContact CB-CB 4.33Å; V624-D628 HydrophobicContact CG2-CB 4.27Å; V624-L629 HydrophobicContact CG2-CD2 3.62Å; V624-L629 HydrophobicContact CG2-CG 4.28Å
625P64.8Low60Low66 Ų6685.6 Ų85.643%0.42949%0.486SS..  trans-53.6150.6176.3-25.634.5000113.1F627 D628P625-F627 HydrophobicContact CB-CD1 3.84Å; P625-F627 HydrophobicContact CB-CD2 4.06Å; P625-F627 HydrophobicContact CB-CE1 3.4Å; P625-F627 HydrophobicContact CB-CE2 3.63Å; P625-F627 HydrophobicContact CB-CG 4.16Å; P625-F627 HydrophobicContact CB-CZ 3.28Å; P625-F627 HydrophobicContact CG-CE1 4.22Å; P625-F627 HydrophobicContact CG-CE2 4.01Å; P625-F627 HydrophobicContact CG-CZ 3.67Å; P625-F627 PolarHBondContact O-N 3.01Å; P625-D628 WeakPolarHBondContact CD-OD2 3.45Å; P625-D628 PolarHBondContact O-N 2.86Å
626Y61.1Low60.7Low117 Ų11783.1 Ų83.146%0.45948%0.484SS..THydrogen-bonded Turntrans-60.7-22.2-174.371.5-90.8000114.2G632 P650 I653Y626-G632 VanDerWaalsContact O-CA 3.22Å; Y626-G632 WeakPolarHBondContact O-CA 3.41Å; Y626-P650 HydrophobicContact CD1-CB 3.95Å; Y626-P650 HydrophobicContact CD1-CG 3.97Å; Y626-P650 HydrophobicContact CE1-CB 4.31Å; Y626-P650 HydrophobicContact CE1-CG 3.83Å; Y626-I653 HydrophobicContact CG-CD1 4.13Å
627F62.2Low60.9Low107 Ų10784 Ų8447%0.46949%0.488SS..THydrogen-bonded Turntrans-76.5-29.1177.249.6-104.5000113.3P625 L629 G632 L633P625-F627 HydrophobicContact CB-CD1 3.84Å; P625-F627 HydrophobicContact CB-CD2 4.06Å; P625-F627 HydrophobicContact CB-CE1 3.4Å; P625-F627 HydrophobicContact CB-CE2 3.63Å; P625-F627 HydrophobicContact CB-CG 4.16Å; P625-F627 HydrophobicContact CB-CZ 3.28Å; P625-F627 HydrophobicContact CG-CE1 4.22Å; P625-F627 HydrophobicContact CG-CE2 4.01Å; P625-F627 HydrophobicContact CG-CZ 3.67Å; P625-F627 PolarHBondContact O-N 3.01Å; F627-L629 VanDerWaalsContact C-N 3.31Å; F627-G632 CarbonylContact O-C 3.52Å; F627-G632 VanDerWaalsContact O-C 3.28Å; F627-G632 WeakPolarHBondContact O-CA 3.43Å; F627-L633 PolarHBondContact O-N 3Å
628D63.1Low60.8Low90 Ų9085.3 Ų85.348%0.48150%0.499SS..THydrogen-bonded Turntrans-81.8-10.7176.8-63.4-39.7000112.8V624 P625V624-D628 HydrophobicContact CB-CB 4.33Å; V624-D628 HydrophobicContact CG2-CB 4.27Å; P625-D628 WeakPolarHBondContact CD-OD2 3.45Å; P625-D628 PolarHBondContact O-N 2.86Å
629L66.3Low60.6Low37 Ų3788.6 Ų88.619%0.19450%0.502CS..SBendtrans-69151.5172.2-62.8177.4000110.6P622 V624 F627 A631 G632 L633P622-L629 HydrophobicContact CB-CD1 4.06Å; P622-L629 HydrophobicContact CB-CD2 4.34Å; P622-L629 HydrophobicContact CG-CD1 4.09Å; V624-L629 HydrophobicContact CG2-CD2 3.62Å; V624-L629 HydrophobicContact CG2-CG 4.28Å; F627-L629 VanDerWaalsContact C-N 3.31Å; L629-A631 PolarHBondContact O-N 3.49Å; L629-G632 WeakPolarHBondContact O-CA 3.26Å; L629-G632 PolarHBondContact O-N 2.87Å; L629-L633 PolarHBondContact O-N 2.9Å
630P60.7Low60.3Low112 Ų11289.8 Ų89.873%0.72750%0.501SS*.THydrogen-bonded Turntrans-56.5-22178.9-28.436000115.5
631A56.3Low60.2Low82 Ų8295 Ų9568%0.67852%0.524SS*.THydrogen-bonded Turntrans-85.8-27.9171.700000113.3L629 M634L629-A631 PolarHBondContact O-N 3.49Å; A631-M634 WeakPolarHBondContact O-CB 3.19Å; A631-M634 PolarHBondContact O-N 3.42Å
632G58.1Low59.4Low8 Ų899.9 Ų99.98%0.08255%0.548CS..G310 helixtrans-66.5-38.4174.400000112.8Y626 F627 L629 M634 A635 P636Y626-G632 VanDerWaalsContact O-CA 3.22Å; Y626-G632 WeakPolarHBondContact O-CA 3.41Å; F627-G632 CarbonylContact O-C 3.52Å; F627-G632 VanDerWaalsContact O-C 3.28Å; F627-G632 WeakPolarHBondContact O-CA 3.43Å; L629-G632 WeakPolarHBondContact O-CA 3.26Å; L629-G632 PolarHBondContact O-N 2.87Å; G632-M634 PolarHBondContact O-N 3.49Å; G632-A635 VanDerWaalsContact O-CB 3.26Å; G632-A635 WeakPolarHBondContact O-CB 3.46Å; G632-A635 PolarHBondContact O-N 2.92Å; G632-P636 WeakPolarHBondContact O-CD 3.49Å
633L57.7Low58.8Low110 Ų110103.7 Ų103.758%0.57657%0.574SS**G310 helixtrans-59.8-15.8172.9-60.4177.8000113.8F627 L629F627-L633 PolarHBondContact O-N 3Å; L629-L633 PolarHBondContact O-N 2.9Å
634M52Low58.3Low108 Ų108101.9 Ų101.953%0.53257%0.565SS.*G310 helixtrans-92.4-15.3173.6-61.4-75.293.600113.3A631 G632 L637A631-M634 WeakPolarHBondContact O-CB 3.19Å; A631-M634 PolarHBondContact O-N 3.42Å; G632-M634 PolarHBondContact O-N 3.49Å; M634-L637 HydrophobicContact CE-CD1 3.66Å; M634-L637 WeakPolarHBondContact O-CB 3.44Å; M634-L637 PolarHBondContact O-N 3.4Å; M634-L637 HydrophobicContact SD-CD1 4.18Å
635A54.1Low58.1Low60 Ų60104.9 Ų104.950%0.49657%0.569SS.*G310 helixtrans-60.9-38.6-177.800000114G632 L637 V638G632-A635 VanDerWaalsContact O-CB 3.26Å; G632-A635 WeakPolarHBondContact O-CB 3.46Å; G632-A635 PolarHBondContact O-N 2.92Å; A635-L637 PolarHBondContact O-N 2.92Å; A635-L637 VanDerWaalsContact O-N 3.15Å; A635-V638 PolarHBondContact O-N 3.17Å
636P57Low58Low114 Ų114110.6 Ų110.674%0.7459%0.587SS**G310 helixtrans-64.9-13.6174.5-22.434.9000114.7G632G632-P636 WeakPolarHBondContact O-CD 3.49Å
637L55.6Low57.9Low130 Ų130110.1 Ų110.168%0.68160%0.598SS**G310 helixtrans-94.3-3.7-178.4-53.1-179.6000112.9M634 A635M634-L637 HydrophobicContact CE-CD1 3.66Å; M634-L637 WeakPolarHBondContact O-CB 3.44Å; M634-L637 PolarHBondContact O-N 3.4Å; M634-L637 HydrophobicContact SD-CD1 4.18Å; A635-L637 PolarHBondContact O-N 2.92Å; A635-L637 VanDerWaalsContact O-N 3.15Å
638V57.2Low57.8Low98 Ų98111 Ų11159%0.59461%0.608SS**SBendtrans-101.3106.5179.9-177.40000110A635 L640A635-V638 PolarHBondContact O-N 3.17Å; V638-L640 PolarHBondContact O-N 2.85Å
639K55.8Low58Low173 Ų173110.1 Ų110.175%0.75260%0.603SS**  trans-64.9119.8170-69.2-174.2171.6-160.30110.1E641K639-E641 WeakPolarHBondContact CB-OE1 3.36Å; K639-E641 WeakPolarHBondContact CD-OE1 3.41Å; K639-E641 PolarHBondContact O-N 3.03Å
640L56.5Low57.8Low112 Ų112111.8 Ų111.859%0.58662%0.616SS**  trans-83.618.2-173-95.1161.1000114.2V638 D642 Y645V638-L640 PolarHBondContact O-N 2.85Å; L640-D642 PolarHBondContact O-N 3.33Å; L640-Y645 HydrophobicContact CD2-CD1 4.16Å; L640-Y645 HydrophobicContact CD2-CG 3.85Å
641E62.2Low57.9Low152 Ų152113.8 Ų113.871%0.7161%0.613SS**THydrogen-bonded Turntrans-84.1-8.7-158.6-66.7166.3-121.900115K639K639-E641 WeakPolarHBondContact CB-OE1 3.36Å; K639-E641 WeakPolarHBondContact CD-OE1 3.41Å; K639-E641 PolarHBondContact O-N 3.03Å
642D50.4Low58.3Low158 Ų158115.8 Ų115.885%0.84561%0.612SS**THydrogen-bonded Turntrans-128.611.5-170.7-105.7-42.4000115.3L640L640-D642 PolarHBondContact O-N 3.33Å
643C51.8Low58.8Low103 Ų103117.8 Ų117.870%0.69662%0.621SS**SBendtrans-142.5139.4-176.4-820000114Y645C643-Y645 PolarHBondContact O-N 2.94Å
644D57.3Low59.5Low130 Ų130116.5 Ų116.570%0.69561%0.608SS**  trans-69.172.4170.7-60.1-9.4000110.5K646 R733D644-K646 PolarHBondContact O-N 3.41Å; D644-K646 VanDerWaalsContact O-N 3.09Å; D644-R733 IonicContact OD1-CZ 3.76Å; D644-R733 IonicContact OD1-NH2 2.78Å; D644-R733 PolarHBondContact OD1-NH2 3.04Å; D644-R733 IonicContact OD2-CZ 2.86Å; D644-R733 IonicContact OD2-NH2 2.79Å; D644-R733 PolarHBondContact OD2-NH2 2.87Å
645Y59.1Low60.3Low136 Ų136115.2 Ų115.253%0.53360%0.603SS.*  trans-70.5105.6-180-179.3-109.4000110.7L640 C643 P647L640-Y645 HydrophobicContact CD2-CD1 4.16Å; L640-Y645 HydrophobicContact CD2-CG 3.85Å; C643-Y645 PolarHBondContact O-N 2.94Å; Y645-P647 HydrophobicContact CE1-CB 4.15Å; Y645-P647 WeakPolarHBondContact O-CD 3.25Å
646K62.8Low60.6Low185 Ų185117.6 Ų117.680%0.80461%0.614SS**PPolyproline II helixtrans-75.6120.6161.8-74.9-167.7172-169.10108.5D644 L648D644-K646 PolarHBondContact O-N 3.41Å; D644-K646 VanDerWaalsContact O-N 3.09Å; K646-L648 PolarHBondContact O-N 3.1Å
647P60.1Low60.8Low107 Ų107116.7 Ų116.770%0.69561%0.608SS**PPolyproline II helixtrans-62.1133.217426.7-33.5000109.9Y645Y645-P647 HydrophobicContact CE1-CB 4.15Å; Y645-P647 WeakPolarHBondContact O-CD 3.25Å
648L60.1Low60.9Low126 Ų126116.4 Ų116.466%0.6661%0.613SS**PPolyproline II helixtrans-77140.8167.8-60.1169.6000108.3K646 P650K646-L648 PolarHBondContact O-N 3.1Å; L648-P650 WeakPolarHBondContact O-CD 3.49Å
649D66Low60.8Low72 Ų72120 Ų12039%0.38563%0.626SS.*PPolyproline II helixtrans-67.1126.2169.6-169.7-38.1000108.1K651 D652D649-K651 PolarHBondContact O-N 3.27Å; D649-K651 VanDerWaalsContact OD1-CB 3.26Å; D649-K651 WeakPolarHBondContact OD1-CB 3.42Å; D649-K651 VanDerWaalsContact OD1-CG 3.27Å; D649-K651 WeakPolarHBondContact OD1-CG 3.39Å; D649-K651 PolarHBondContact OD1-N 2.87Å; D649-D652 PolarHBondContact O-N 2.98Å
650P62.5Low61.4Low71 Ų71116.6 Ų116.646%0.46162%0.621SS.*G310 helixtrans-52.4-26174.8-29.537.6000114.3Y626 L648 D652 I653Y626-P650 HydrophobicContact CD1-CB 3.95Å; Y626-P650 HydrophobicContact CD1-CG 3.97Å; Y626-P650 HydrophobicContact CE1-CB 4.31Å; Y626-P650 HydrophobicContact CE1-CG 3.83Å; L648-P650 WeakPolarHBondContact O-CD 3.49Å; P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 2.69Å; P650-I653 WeakPolarHBondContact O-CB 3.34Å; P650-I653 PolarHBondContact O-N 3.46Å
651K62.8Low62.1Low155 Ų155114.8 Ų114.867%0.67462%0.616SS**G310 helixtrans-71.8-18.9177.2-62167.3-172.8164.10114.1D649 I653 R654D649-K651 PolarHBondContact O-N 3.27Å; D649-K651 VanDerWaalsContact OD1-CB 3.26Å; D649-K651 WeakPolarHBondContact OD1-CB 3.42Å; D649-K651 VanDerWaalsContact OD1-CG 3.27Å; D649-K651 WeakPolarHBondContact OD1-CG 3.39Å; D649-K651 PolarHBondContact OD1-N 2.87Å; K651-I653 VanDerWaalsContact C-N 3.35Å; K651-R654 PolarHBondContact O-NH1 3.29Å; K651-R654 PolarHBondContact O-NH2 3.29Å
652D65.6Low63Low124 Ų124111 Ų11166%0.66361%0.607SS**G310 helixtrans-87.4-8.3177.2-68.4-18.7000112.3D649 P650 R654D649-D652 PolarHBondContact O-N 2.98Å; P650-D652 VanDerWaalsContact C-N 3.3Å; P650-D652 PolarHBondContact O-N 2.69Å; D652-R654 PolarHBondContact O-N 2.87Å
653I68.3Low64.4Low50 Ų50109.9 Ų109.926%0.25660%0.601SS.*  trans-71.8129.8179.6-57.2177.3000109.2P622 Y626 P650 K651P622-I653 WeakPolarHBondContact CD-O 3.32Å; P622-I653 HydrophobicContact CG-CG2 3.98Å; Y626-I653 HydrophobicContact CG-CD1 4.13Å; P650-I653 WeakPolarHBondContact O-CB 3.34Å; P650-I653 PolarHBondContact O-N 3.46Å; K651-I653 VanDerWaalsContact C-N 3.35Å
654R71.8Confident65.6Low83 Ų83115.5 Ų115.531%0.31361%0.607SS.*  trans-135.2145.4176.4-63.9-71.5-179.2-78.8-7110D616 L620 K651 D652D616-R654 IonicContact OD1-CZ 3.61Å; D616-R654 IonicContact OD1-NE 2.67Å; D616-R654 IonicContact OD1-NH2 3.17Å; D616-R654 PolarHBondContact OD1-NH2 2.88Å; L620-R654 HydrophobicContact CB-CB 4.38Å; L620-R654 CarbonylContact O-C 3.5Å; L620-R654 VanDerWaalsContact O-CA 3.24Å; L620-R654 WeakPolarHBondContact O-CA 3.26Å; K651-R654 PolarHBondContact O-NH1 3.29Å; K651-R654 PolarHBondContact O-NH2 3.29Å; D652-R654 PolarHBondContact O-N 2.87Å
655L68.3Low66.2Low80 Ų80114.1 Ų114.142%0.41960%0.599SS.*PPolyproline II helixtrans-72.9147.4173.1-63.8176000110.7L620 P622L620-L655 PolarHBondContact O-N 2.91Å; P622-L655 HydrophobicContact CG-CD2 4.39Å; P622-L655 HydrophobicContact CG-CG 4.33Å
656P61.9Low67.3Low111 Ų111111.9 Ų111.972%0.72160%0.596SS**PPolyproline II helixtrans-65.5136.917128.6-33.7000109.7
657P59.7Low68Low95 Ų95105.6 Ų105.662%0.61758%0.578SS**PPolyproline II helixtrans-63.1143.8-178.526.1-34.6000111.1M659P657-M659 PolarHBondContact O-N 3.49Å
658P57.7Low68.7Low123 Ų123103.2 Ų103.280%0.79957%0.568SS**  trans-64.6109.8-177.125.8-33.9000110.7
659M56.7Low69.5Low175 Ų175100.8 Ų100.886%0.86256%0.558SS**PPolyproline II helixtrans-74.5130.5177.3-172.1174.166.100109.9P657P657-M659 PolarHBondContact O-N 3.49Å
660P68.4Low70.3Confident101 Ų101104 Ų10466%0.65657%0.571SS**PPolyproline II helixtrans-62.5153.717925.2-34.4000112.1S662P660-S662 PolarHBondContact O-N 2.89Å
661P70.6Confident70.8Confident73 Ų73102 Ų10247%0.47456%0.56SS.*PPolyproline II helixtrans-60.7132.717826.1-34.9000110.8L665 L666P661-L665 HydrophobicContact CB-CD2 4.05Å; P661-L666 HydrophobicContact CB-CD2 4.33Å; P661-L666 HydrophobicContact CB-CG 4.45Å; P661-L666 HydrophobicContact CG-CD1 4.46Å; P661-L666 HydrophobicContact CG-CD2 3.92Å; P661-L666 HydrophobicContact CG-CG 4.3Å
662S81.9Confident71.3Confident74 Ų74101 Ų10152%0.51756%0.556SS.*PPolyproline II helixtrans-61145.3-179.464.20000112.2P660 R664 L665 L666P660-S662 PolarHBondContact O-N 2.89Å; S662-R664 PolarHBondContact O-N 3.4Å; S662-L665 WeakPolarHBondContact O-CA 3.36Å; S662-L665 VanDerWaalsContact O-CB 3.31Å; S662-L665 WeakPolarHBondContact O-CB 3.43Å; S662-L665 PolarHBondContact O-N 3.01Å; S662-L666 PolarHBondContact O-N 3.29Å
663D78.4Confident71.9Confident134 Ų134102.6 Ų102.672%0.71755%0.554SS**Hα-helixtrans-51-33.8178.8-37.8-43.9000113.3L665 L666 A667D663-L665 VanDerWaalsContact C-N 3.31Å; D663-L665 PolarHBondContact O-N 2.87Å; D663-L666 PolarHBondContact O-N 3.19Å; D663-A667 VanDerWaalsContact O-CB 3.29Å; D663-A667 WeakPolarHBondContact O-CB 3.5Å; D663-A667 PolarHBondContact O-N 2.98Å
664R77Confident72.2Confident221 Ų221102 Ų10283%0.83456%0.555SS**Hα-helixtrans-64-32.7175.7-178.2177.9174.6-140.1-7.6113.3S662 A668S662-R664 PolarHBondContact O-N 3.4Å; R664-A668 VanDerWaalsContact O-CB 3.3Å; R664-A668 WeakPolarHBondContact O-CB 3.34Å; R664-A668 PolarHBondContact O-N 3.45Å
665L71.2Confident72.3Confident100 Ų100103.2 Ų103.252%0.52457%0.573SS.*Hα-helixtrans-75.2-45.3174.7-174.568000109.8P661 S662 D663 A668 V669P661-L665 HydrophobicContact CB-CD2 4.05Å; S662-L665 WeakPolarHBondContact O-CA 3.36Å; S662-L665 VanDerWaalsContact O-CB 3.31Å; S662-L665 WeakPolarHBondContact O-CB 3.43Å; S662-L665 PolarHBondContact O-N 3.01Å; D663-L665 VanDerWaalsContact C-N 3.31Å; D663-L665 PolarHBondContact O-N 2.87Å; L665-A668 PolarHBondContact O-N 2.84Å; L665-A668 VanDerWaalsContact O-N 3.16Å; L665-V669 WeakPolarHBondContact O-CG2 3.49Å; L665-V669 PolarHBondContact O-N 3.22Å
666L81.4Confident72.4Confident90 Ų90103.7 Ų103.747%0.47158%0.581SS.*Hα-helixtrans-58.2-50.8176.7-65.1174.4000111.4P661 S662 D663 A668 V669 E670P661-L666 HydrophobicContact CB-CD2 4.33Å; P661-L666 HydrophobicContact CB-CG 4.45Å; P661-L666 HydrophobicContact CG-CD1 4.46Å; P661-L666 HydrophobicContact CG-CD2 3.92Å; P661-L666 HydrophobicContact CG-CG 4.3Å; S662-L666 PolarHBondContact O-N 3.29Å; D663-L666 PolarHBondContact O-N 3.19Å; L666-A668 VanDerWaalsContact C-N 3.26Å; L666-A668 PolarHBondContact O-N 2.91Å; L666-V669 WeakPolarHBondContact O-CB 3.38Å; L666-V669 PolarHBondContact O-N 2.86Å; L666-V669 VanDerWaalsContact O-N 3.14Å; L666-E670 WeakPolarHBondContact O-CB 3.25Å; L666-E670 PolarHBondContact O-N 2.74Å
667A76.9Confident72.6Confident52 Ų52101 Ų10143%0.4357%0.565SS.*Hα-helixtrans-65.1-25.4176.900000113.7D663 A671D663-A667 VanDerWaalsContact O-CB 3.29Å; D663-A667 WeakPolarHBondContact O-CB 3.5Å; D663-A667 PolarHBondContact O-N 2.98Å; A667-A671 VanDerWaalsContact O-CB 3.22Å; A667-A671 WeakPolarHBondContact O-CB 3.46Å; A667-A671 PolarHBondContact O-N 3.35Å
668A75.4Confident72.9Confident58 Ų58105.1 Ų105.148%0.47958%0.576SS.*Hα-helixtrans-76.4-35.8173.500000112.2R664 L665 L666 F672R664-A668 VanDerWaalsContact O-CB 3.3Å; R664-A668 WeakPolarHBondContact O-CB 3.34Å; R664-A668 PolarHBondContact O-N 3.45Å; L665-A668 PolarHBondContact O-N 2.84Å; L665-A668 VanDerWaalsContact O-N 3.16Å; L666-A668 VanDerWaalsContact C-N 3.26Å; L666-A668 PolarHBondContact O-N 2.91Å; A668-F672 WeakPolarHBondContact O-CB 3.2Å; A668-F672 PolarHBondContact O-N 2.65Å
669V77.8Confident73.2Confident74 Ų74106.1 Ų106.145%0.44857%0.574SS.*Hα-helixtrans-68.2-46.3171.7169.20000110.2L665 L666 A671 F672 Y673L665-V669 WeakPolarHBondContact O-CG2 3.49Å; L665-V669 PolarHBondContact O-N 3.22Å; L666-V669 WeakPolarHBondContact O-CB 3.38Å; L666-V669 PolarHBondContact O-N 2.86Å; L666-V669 VanDerWaalsContact O-N 3.14Å; V669-A671 PolarHBondContact O-N 3.35Å; V669-F672 WeakPolarHBondContact O-CB 3.38Å; V669-F672 PolarHBondContact O-N 3.47Å; V669-F672 VanDerWaalsContact O-N 3.09Å; V669-Y673 HydrophobicContact CG1-CD2 3.8Å; V669-Y673 HydrophobicContact CG1-CE2 3.88Å; V669-Y673 VanDerWaalsContact O-CD2 3.28Å; V669-Y673 WeakPolarHBondContact O-CD2 3.33Å; V669-Y673 PolarHBondContact O-N 3.15Å
670E83.1Confident73.8Confident140 Ų140103.3 Ų103.365%0.65455%0.554SS**Hα-helixtrans-58.2-49.1175.9-173.4-179.9-162.500111.7L666 F672 Y673 S674L666-E670 WeakPolarHBondContact O-CB 3.25Å; L666-E670 PolarHBondContact O-N 2.74Å; E670-F672 PolarHBondContact O-N 2.92Å; E670-Y673 PolarHBondContact O-N 3.03Å; E670-S674 WeakPolarHBondContact O-CB 3.44Å; E670-S674 PolarHBondContact O-N 3.43Å
671A72.7Confident74Confident29 Ų29100.5 Ų100.524%0.2454%0.536CS..Hα-helixtrans-68.3-16.1176.400000114.3A667 V669 S674 R682A667-A671 VanDerWaalsContact O-CB 3.22Å; A667-A671 WeakPolarHBondContact O-CB 3.46Å; A667-A671 PolarHBondContact O-N 3.35Å; V669-A671 PolarHBondContact O-N 3.35Å; A671-S674 PolarHBondContact O-OG 3.4Å; A671-R682 PolarHBondContact O-NH2 2.87Å
672F72.7Confident74.3Confident133 Ų133100.3 Ų100.358%0.58353%0.526SS*.Hα-helixtrans-78.8-48.2171.4-178.6-101000110.7A668 V669 E670 R682A668-F672 WeakPolarHBondContact O-CB 3.2Å; A668-F672 PolarHBondContact O-N 2.65Å; V669-F672 WeakPolarHBondContact O-CB 3.38Å; V669-F672 PolarHBondContact O-N 3.47Å; V669-F672 VanDerWaalsContact O-N 3.09Å; E670-F672 PolarHBondContact O-N 2.92Å; F672-R682 PolarHBondContact O-NH1 2.67Å; F672-R682 PolarHBondContact O-NH2 3.46Å
673Y77.2Confident73.9Confident158 Ų15899.2 Ų99.262%0.6251%0.514SS*.Hα-helixtrans-82.6-11.4180-67.5-70.2000114.8V669 E670V669-Y673 HydrophobicContact CG1-CD2 3.8Å; V669-Y673 HydrophobicContact CG1-CE2 3.88Å; V669-Y673 VanDerWaalsContact O-CD2 3.28Å; V669-Y673 WeakPolarHBondContact O-CD2 3.33Å; V669-Y673 PolarHBondContact O-N 3.15Å; E670-Y673 PolarHBondContact O-N 3.03Å
674S75.1Confident73.6Confident39 Ų3999 Ų9927%0.27352%0.523SS..SBendtrans-58.4135.5176.364.50000111.9E670 A671 R682E670-S674 WeakPolarHBondContact O-CB 3.44Å; E670-S674 PolarHBondContact O-N 3.43Å; A671-S674 PolarHBondContact O-OG 3.4Å; S674-R682 PolarHBondContact O-NH2 3.31Å
675P73.5Confident73.3Confident107 Ų10794.9 Ų94.970%0.69551%0.513SS*.PPolyproline II helixtrans-55.5153.8174.3-26.335000113.1S677P675-S677 PolarHBondContact O-N 3.3Å; P675-S677 VanDerWaalsContact O-N 3.13Å
676P71.5Confident73Confident90 Ų9092.5 Ų92.558%0.58451%0.512SS*.PPolyproline II helixtrans-59.2117.7176.1-18.529.8000111.1R682P676-R682 HydrophobicContact CB-CB 4.32Å; P676-R682 HydrophobicContact CB-CG 4.38Å; P676-R682 HydrophobicContact CG-CB 4.37Å; P676-R682 HydrophobicContact CG-CG 4.5Å
677S66.7Low72.5Confident55 Ų5597.1 Ų97.139%0.38552%0.524SS..PPolyproline II helixtrans-103.1168.6178.573.80000111.7P675 D679 R680P675-S677 PolarHBondContact O-N 3.3Å; P675-S677 VanDerWaalsContact O-N 3.13Å; S677-D679 VanDerWaalsContact C-N 3.25Å; S677-D679 PolarHBondContact O-N 3.18Å; S677-R680 CarbonylContact O-C 3.58Å; S677-R680 PolarHBondContact O-N 3.33Å; S677-R680 VanDerWaalsContact O-N 3.13Å; S677-R680 PolarHBondContact OG-N 2.98Å
678H66Low72.5Confident182 Ų18297.8 Ų97.884%0.84352%0.518SS*.SBendtrans-60.7-34.5176.4-171.180000112.7
679D62.6Low72.3Confident144 Ų144101.2 Ų101.277%0.7752%0.524SS*.SBendtrans-77.5-21.3176.8-55.8-74.2000113.5S677 P681S677-D679 VanDerWaalsContact C-N 3.25Å; S677-D679 PolarHBondContact O-N 3.18Å; D679-P681 VanDerWaalsContact C-CD 3.49Å
680R68.7Low72.3Confident115 Ų115101.9 Ų101.943%0.43453%0.525SS..SBendtrans-130.963.8179.7-68.6177.9175.8-119.711.8111.4S677 R682 E688S677-R680 CarbonylContact O-C 3.58Å; S677-R680 PolarHBondContact O-N 3.33Å; S677-R680 VanDerWaalsContact O-N 3.13Å; S677-R680 PolarHBondContact OG-N 2.98Å; R680-R682 PolarHBondContact O-N 3.49Å; R680-E688 WeakPolarHBondContact CD-OE1 3.45Å; R680-E688 IonicContact CZ-OE1 2.73Å; R680-E688 IonicContact NE-OE1 3.7Å; R680-E688 IonicContact NH1-OE1 3.88Å; R680-E688 PolarHBondContact NH1-OE1 2.82Å; R680-E688 IonicContact NH1-OE2 2.71Å
681P74.4Confident71.9Confident43 Ų4396.2 Ų96.228%0.27951%0.505SS..  trans-62.6126.8177.326.3-33.3000109.5D679 Q689D679-P681 VanDerWaalsContact C-CD 3.49Å; P681-Q689 HydrophobicContact CG-CB 4.42Å; P681-Q689 VanDerWaalsContact O-CB 3.3Å; P681-Q689 WeakPolarHBondContact O-CB 3.49Å; P681-Q689 PolarHBondContact O-N 2.78Å
682R75.8Confident71.9Confident69 Ų6999.6 Ų99.626%0.2652%0.518SS..BIsolated β-bridgetrans-97140.3172.8-64.6-178.4-177.5-176.12109.1A671 F672 S674 P676 R680 G686 W687 E688A671-R682 PolarHBondContact O-NH2 2.87Å; F672-R682 PolarHBondContact O-NH1 2.67Å; F672-R682 PolarHBondContact O-NH2 3.46Å; S674-R682 PolarHBondContact O-NH2 3.31Å; P676-R682 HydrophobicContact CB-CB 4.32Å; P676-R682 HydrophobicContact CB-CG 4.38Å; P676-R682 HydrophobicContact CG-CB 4.37Å; P676-R682 HydrophobicContact CG-CG 4.5Å; R680-R682 PolarHBondContact O-N 3.49Å; R682-G686 WeakPolarHBondContact CD-O 3.45Å; R682-W687 CarbonylContact C-O 3.41Å; R682-W687 VanDerWaalsContact CA-O 3.26Å; R682-W687 WeakPolarHBondContact CA-O 3.27Å; R682-E688 HydrophobicContact CG-CG 4.25Å
683N74.6Confident72Confident51 Ų5197.1 Ų97.127%0.27351%0.505SS..  trans-73.8176.9177.580.2-16.2000111.3E685 G686 W687N683-E685 PolarHBondContact ND2-OE2 2.85Å; N683-E685 PolarHBondContact O-N 2.96Å; N683-E685 WeakPolarHBondContact OD1-CA 3.36Å; N683-E685 WeakPolarHBondContact OD1-CB 3.41Å; N683-E685 PolarHBondContact OD1-N 3.17Å; N683-G686 PolarHBondContact O-N 3.35Å; N683-G686 PolarHBondContact OD1-N 2.97Å; N683-W687 PolarHBondContact N-O 3.02Å; N683-W687 PolarHBondContact OD1-N 3.44Å; N683-W687 PolarHBondContact OD1-O 2.93Å
684S70.7Confident71.9Confident129 Ų12994.9 Ų94.990%0.90250%0.5SS*.THydrogen-bonded Turntrans-62.7-6176.854.70000115.1
685E70.6Confident72.1Confident135 Ų13598.7 Ų98.763%0.63151%0.512SS*.THydrogen-bonded Turntrans-1077.4176.3-55.5165144.900111.4N683N683-E685 PolarHBondContact ND2-OE2 2.85Å; N683-E685 PolarHBondContact O-N 2.96Å; N683-E685 WeakPolarHBondContact OD1-CA 3.36Å; N683-E685 WeakPolarHBondContact OD1-CB 3.41Å; N683-E685 PolarHBondContact OD1-N 3.17Å
686G65.8Low72Confident49 Ų4997 Ų9751%0.50549%0.494SS..SBendtrans83.7-1178.700000116R682 N683R682-G686 WeakPolarHBondContact CD-O 3.45Å; N683-G686 PolarHBondContact O-N 3.35Å; N683-G686 PolarHBondContact OD1-N 2.97Å
687W70.4Confident72.4Confident188 Ų18898.5 Ų98.571%0.71249%0.488SS*.SBendtrans-88.2137.7-176.7-67.297000112.7R682 N683 Q689R682-W687 CarbonylContact C-O 3.41Å; R682-W687 VanDerWaalsContact CA-O 3.26Å; R682-W687 WeakPolarHBondContact CA-O 3.27Å; N683-W687 PolarHBondContact N-O 3.02Å; N683-W687 PolarHBondContact OD1-N 3.44Å; N683-W687 PolarHBondContact OD1-O 2.93Å; W687-Q689 PolarHBondContact O-N 3.13Å
688E77.6Confident72.8Confident65 Ų6598.2 Ų98.230%0.30449%0.489SS..BIsolated β-bridgetrans-55.7112.6171.6-67.4-17315200110.9R680 R682 N690 G691R680-E688 WeakPolarHBondContact CD-OE1 3.45Å; R680-E688 IonicContact CZ-OE1 2.73Å; R680-E688 IonicContact NE-OE1 3.7Å; R680-E688 IonicContact NH1-OE1 3.88Å; R680-E688 PolarHBondContact NH1-OE1 2.82Å; R680-E688 IonicContact NH1-OE2 2.71Å; R682-E688 HydrophobicContact CG-CG 4.25Å; E688-N690 PolarHBondContact O-N 3.21Å; E688-N690 VanDerWaalsContact O-N 3.07Å; E688-G691 PolarHBondContact O-N 3.24Å
689Q71.6Confident73.6Confident131 Ų13194.9 Ų94.961%0.61247%0.472SS*.THydrogen-bonded Turntrans-59.7-28.7-168.6-174.1174.8-2.800112.9P681 W687P681-Q689 HydrophobicContact CG-CB 4.42Å; P681-Q689 VanDerWaalsContact O-CB 3.3Å; P681-Q689 WeakPolarHBondContact O-CB 3.49Å; P681-Q689 PolarHBondContact O-N 2.78Å; W687-Q689 PolarHBondContact O-N 3.13Å
690N76.2Confident74.2Confident87 Ų8792.1 Ų92.147%0.46546%0.456SS..THydrogen-bonded Turntrans-102.4-8.9177.1-69.2-15.1000114E688 L692 Y693 E694E688-N690 PolarHBondContact O-N 3.21Å; E688-N690 VanDerWaalsContact O-N 3.07Å; N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 PolarHBondContact O-N 3.37Å; N690-L692 VanDerWaalsContact O-N 3.17Å; N690-Y693 WeakPolarHBondContact O-CA 3.43Å; N690-Y693 WeakPolarHBondContact O-CB 3.3Å; N690-Y693 PolarHBondContact O-N 2.92Å; N690-E694 HydrophobicContact CB-CG 4.44Å; N690-E694 WeakPolarHBondContact O-CG 3.4Å; N690-E694 PolarHBondContact O-N 2.93Å
691G75.6Confident74.7Confident22 Ų2294.2 Ų94.223%0.22746%0.463CS..Hα-helixtrans-58.3-37.4-169.300000113.8E688 E694 F695E688-G691 PolarHBondContact O-N 3.24Å; G691-E694 PolarHBondContact O-N 3.18Å; G691-F695 WeakPolarHBondContact O-CB 3.35Å; G691-F695 PolarHBondContact O-N 2.97Å
692L72.1Confident74.9Confident99 Ų9995.1 Ų95.152%0.51847%0.474SS..Hα-helixtrans-65.3-41.3174.7-15778.8000112.1N690 F696 F884N690-L692 VanDerWaalsContact C-N 3.29Å; N690-L692 PolarHBondContact O-N 3.37Å; N690-L692 VanDerWaalsContact O-N 3.17Å; L692-F696 HydrophobicContact CG-CD2 4.37Å; L692-F696 HydrophobicContact CG-CE2 4.41Å; L692-F696 WeakPolarHBondContact O-CD2 3.5Å; L692-F696 PolarHBondContact O-N 2.85Å; L692-F696 VanDerWaalsContact O-N 3.1Å; L692-F884 HydrophobicContact CD2-CD1 3.96Å; L692-F884 HydrophobicContact CD2-CE1 4Å; L692-F884 HydrophobicContact CD2-CG 4.35Å; L692-F884 HydrophobicContact CD2-CZ 4.42Å
693Y75.1Confident75.2Confident82 Ų8299.7 Ų99.732%0.32249%0.492SS..Hα-helixtrans-65.7-41.7176.3171.6-92.9000111.2N690 F696 R697 M888N690-Y693 WeakPolarHBondContact O-CA 3.43Å; N690-Y693 WeakPolarHBondContact O-CB 3.3Å; N690-Y693 PolarHBondContact O-N 2.92Å; Y693-F696 PolarHBondContact O-N 3.34Å; Y693-R697 VanDerWaalsContact CE1-CZ 3.48Å; Y693-R697 VanDerWaalsContact O-CB 3.25Å; Y693-R697 WeakPolarHBondContact O-CB 3.35Å; Y693-R697 PolarHBondContact O-N 3.19Å; Y693-R697 PolarHBondContact OH-NE 2.89Å; Y693-R697 PolarHBondContact OH-NH2 3.44Å; Y693-M888 HydrophobicContact CD2-CE 3.63Å; Y693-M888 HydrophobicContact CD2-SD 3.81Å; Y693-M888 HydrophobicContact CE2-CE 3.69Å; Y693-M888 HydrophobicContact CE2-SD 4.07Å
694E76.4Confident75.5Confident110 Ų110105.4 Ų105.451%0.51451%0.51SS..Hα-helixtrans-65.9-42.8177-60.3-140.4141.800112.5N690 G691 F696 R697 A698N690-E694 HydrophobicContact CB-CG 4.44Å; N690-E694 WeakPolarHBondContact O-CG 3.4Å; N690-E694 PolarHBondContact O-N 2.93Å; G691-E694 PolarHBondContact O-N 3.18Å; E694-F696 PolarHBondContact O-N 3.08Å; E694-R697 WeakPolarHBondContact O-CB 3.17Å; E694-R697 PolarHBondContact O-N 3.12Å; E694-A698 WeakPolarHBondContact O-CB 3.35Å; E694-A698 PolarHBondContact O-N 2.96Å
695F77.7Confident76.1Confident119 Ų119105.7 Ų105.752%0.52249%0.494SS..Hα-helixtrans-57.2-48.4173.3173.1-100.3000111.7G691 A698 K699G691-F695 WeakPolarHBondContact O-CB 3.35Å; G691-F695 PolarHBondContact O-N 2.97Å; F695-A698 PolarHBondContact O-N 3.43Å; F695-K699 HydrophobicContact CE1-CD 4Å; F695-K699 HydrophobicContact CZ-CD 4.19Å; F695-K699 VanDerWaalsContact O-CB 3.23Å; F695-K699 WeakPolarHBondContact O-CB 3.38Å; F695-K699 PolarHBondContact O-N 2.94Å
696F72.8Confident76.8Confident72 Ų72106.8 Ų106.832%0.31650%0.497SS..Hα-helixtrans-66.4-38.9177.2-88.1-80.1000112.5L692 Y693 E694 K699 M700L692-F696 HydrophobicContact CG-CD2 4.37Å; L692-F696 HydrophobicContact CG-CE2 4.41Å; L692-F696 WeakPolarHBondContact O-CD2 3.5Å; L692-F696 PolarHBondContact O-N 2.85Å; L692-F696 VanDerWaalsContact O-N 3.1Å; Y693-F696 PolarHBondContact O-N 3.34Å; E694-F696 PolarHBondContact O-N 3.08Å; F696-K699 PolarHBondContact O-N 3.09Å; F696-M700 WeakPolarHBondContact O-CB 3.39Å; F696-M700 WeakPolarHBondContact O-CG 3.38Å; F696-M700 PolarHBondContact O-N 2.92Å
697R79.9Confident77.4Confident122 Ų122108.6 Ų108.646%0.4649%0.492SS..Hα-helixtrans-59.5-45.2173.2-179.4-170.8-93.1-165.5-8.3111.2Y693 E694 R701Y693-R697 VanDerWaalsContact CE1-CZ 3.48Å; Y693-R697 VanDerWaalsContact O-CB 3.25Å; Y693-R697 WeakPolarHBondContact O-CB 3.35Å; Y693-R697 PolarHBondContact O-N 3.19Å; Y693-R697 PolarHBondContact OH-NE 2.89Å; Y693-R697 PolarHBondContact OH-NH2 3.44Å; E694-R697 WeakPolarHBondContact O-CB 3.17Å; E694-R697 PolarHBondContact O-N 3.12Å; R697-R701 WeakPolarHBondContact O-CB 3.46Å; R697-R701 PolarHBondContact O-N 3.25Å
698A75.3Confident77.8Confident48 Ų48105 Ų10540%0.39748%0.484SS..Hα-helixtrans-67.1-46.7177.100000112.1E694 F695 M700 R701 A702E694-A698 WeakPolarHBondContact O-CB 3.35Å; E694-A698 PolarHBondContact O-N 2.96Å; F695-A698 PolarHBondContact O-N 3.43Å; A698-M700 VanDerWaalsContact C-N 3.33Å; A698-M700 PolarHBondContact O-N 3.46Å; A698-R701 WeakPolarHBondContact O-CB 3.46Å; A698-R701 PolarHBondContact O-N 3.01Å; A698-R701 VanDerWaalsContact O-N 3.14Å; A698-A702 WeakPolarHBondContact O-CB 3.37Å; A698-A702 PolarHBondContact O-N 3.12Å
699K81.3Confident77.7Confident113 Ų113106.8 Ų106.849%0.49149%0.492SS..Hα-helixtrans-56.6-43.7175.7-177.8173.6179.6175.50112F695 F696 A702 R703F695-K699 HydrophobicContact CE1-CD 4Å; F695-K699 HydrophobicContact CZ-CD 4.19Å; F695-K699 VanDerWaalsContact O-CB 3.23Å; F695-K699 WeakPolarHBondContact O-CB 3.38Å; F695-K699 PolarHBondContact O-N 2.94Å; F696-K699 PolarHBondContact O-N 3.09Å; K699-A702 PolarHBondContact O-N 2.85Å; K699-R703 WeakPolarHBondContact O-CB 3.24Å; K699-R703 PolarHBondContact O-N 3.35Å
700M74.9Confident77.9Confident86 Ų86108.6 Ų108.642%0.42450%0.498SS..Hα-helixtrans-74.7-26.1177.7-69.5-64.9-80.800113.6F696 A698 R704F696-M700 WeakPolarHBondContact O-CB 3.39Å; F696-M700 WeakPolarHBondContact O-CG 3.38Å; F696-M700 PolarHBondContact O-N 2.92Å; A698-M700 VanDerWaalsContact C-N 3.33Å; A698-M700 PolarHBondContact O-N 3.46Å; M700-R704 PolarHBondContact O-N 3.35Å; M700-R704 PolarHBondContact O-NE 3.35Å
701R79.4Confident77.8Confident158 Ų158111.7 Ų111.760%0.59650%0.503SS*.Hα-helixtrans-70.3-46.3169.2-172.7-173.6-72.3135.5-10.2111R697 A698 R704 K705R697-R701 WeakPolarHBondContact O-CB 3.46Å; R697-R701 PolarHBondContact O-N 3.25Å; A698-R701 WeakPolarHBondContact O-CB 3.46Å; A698-R701 PolarHBondContact O-N 3.01Å; A698-R701 VanDerWaalsContact O-N 3.14Å; R701-R704 PolarHBondContact O-N 3.28Å; R701-K705 PolarHBondContact O-N 3.5Å
702A79.1Confident77.3Confident62 Ų62115.5 Ų115.551%0.51252%0.518SS..Hα-helixtrans-62.8-42.4177.200000112.3A698 K699 K705 K706A698-A702 WeakPolarHBondContact O-CB 3.37Å; A698-A702 PolarHBondContact O-N 3.12Å; K699-A702 PolarHBondContact O-N 2.85Å; A702-K705 PolarHBondContact O-N 2.86Å; A702-K706 PolarHBondContact O-N 3.21Å
703R81.7Confident76.9Confident165 Ų165115.4 Ų115.462%0.62353%0.526SS*.Hα-helixtrans-57.2-49.5173.6-178.6178.7172.9177.20.4111.7K699 K706 E707K699-R703 WeakPolarHBondContact O-CB 3.24Å; K699-R703 PolarHBondContact O-N 3.35Å; R703-K706 PolarHBondContact O-N 3.27Å; R703-E707 PolarHBondContact O-N 2.81Å
704R82.4Confident75.8Confident172 Ų172115.6 Ų115.665%0.64954%0.539SS*.Hα-helixtrans-61.7-42.1176.8-84.4-177.2-77.8169.6-12.2112.6M700 R701 E707 Q708M700-R704 PolarHBondContact O-N 3.35Å; M700-R704 PolarHBondContact O-NE 3.35Å; R701-R704 PolarHBondContact O-N 3.28Å; R704-E707 PolarHBondContact O-N 2.97Å; R704-Q708 WeakPolarHBondContact O-CB 3.44Å; R704-Q708 PolarHBondContact O-N 3.35Å
705K82.7Confident74.6Confident134 Ų134118.3 Ų118.358%0.58355%0.551SS**Hα-helixtrans-59.5-48.9175.9-179.8172.2170.8175.30111.9R701 A702 E707 Q708 E709R701-K705 PolarHBondContact O-N 3.5Å; A702-K705 PolarHBondContact O-N 2.86Å; K705-E707 VanDerWaalsContact C-N 3.26Å; K705-E707 PolarHBondContact O-N 3.32Å; K705-Q708 WeakPolarHBondContact O-CB 3.26Å; K705-Q708 PolarHBondContact O-N 3.35Å; K705-E709 WeakPolarHBondContact CE-OE1 3.46Å; K705-E709 HydrophobicContact CG-CG 4.47Å; K705-E709 IonicContact NZ-OE1 2.69Å; K705-E709 WeakPolarHBondContact O-CG 3.45Å; K705-E709 PolarHBondContact O-N 2.88Å
706K84.3Confident72.8Confident159 Ų159115.7 Ų115.769%0.69156%0.558SS**Hα-helixtrans-60.6-35.1177.4-175.2173.2-178174.60112.6A702 R703 K710A702-K706 PolarHBondContact O-N 3.21Å; R703-K706 PolarHBondContact O-N 3.27Å; K706-K710 PolarHBondContact O-N 3.44Å; K706-K710 VanDerWaalsContact O-N 3.16Å
707E79.4Confident71.6Confident86 Ų86115.8 Ų115.840%0.40258%0.58SS.*Hα-helixtrans-73.1-40.4176.2-162.3178.7152.700112.3R703 R704 K705 K710 R711R703-E707 PolarHBondContact O-N 2.81Å; R704-E707 PolarHBondContact O-N 2.97Å; K705-E707 VanDerWaalsContact C-N 3.26Å; K705-E707 PolarHBondContact O-N 3.32Å; E707-K710 PolarHBondContact O-N 3.19Å; E707-R711 WeakPolarHBondContact O-CG 3.24Å; E707-R711 PolarHBondContact O-N 3.47Å; E707-R711 IonicContact OE1-CZ 3.45Å; E707-R711 IonicContact OE1-NE 3.49Å; E707-R711 IonicContact OE1-NH2 2.68Å; E707-R711 PolarHBondContact OE1-NH2 3.13Å
708Q78.2Confident69.5Low113 Ų113115.5 Ų115.553%0.52860%0.596SS.*Hα-helixtrans-60.9-45.1173.1-16676.84500111.2R704 K705 K710 R711 N712R704-Q708 WeakPolarHBondContact O-CB 3.44Å; R704-Q708 PolarHBondContact O-N 3.35Å; K705-Q708 WeakPolarHBondContact O-CB 3.26Å; K705-Q708 PolarHBondContact O-N 3.35Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 3.21Å; Q708-R711 PolarHBondContact O-N 3.29Å; Q708-R711 VanDerWaalsContact O-N 3.15Å; Q708-N712 PolarHBondContact NE2-OD1 2.95Å; Q708-N712 WeakPolarHBondContact O-CB 3.36Å; Q708-N712 VanDerWaalsContact O-CG 3.27Å; Q708-N712 PolarHBondContact O-N 3Å; Q708-N712 PolarHBondContact O-OD1 3.07Å
709E76.6Confident67.9Low103 Ų103124.3 Ų124.348%0.48162%0.619SS.*Hα-helixtrans-60.2-42.4176.5-73.8166.8165.600111.6K705 R711 N712 S713K705-E709 WeakPolarHBondContact CE-OE1 3.46Å; K705-E709 HydrophobicContact CG-CG 4.47Å; K705-E709 IonicContact NZ-OE1 2.69Å; K705-E709 WeakPolarHBondContact O-CG 3.45Å; K705-E709 PolarHBondContact O-N 2.88Å; E709-R711 VanDerWaalsContact C-N 3.32Å; E709-R711 PolarHBondContact O-N 2.97Å; E709-N712 PolarHBondContact O-N 3.27Å; E709-S713 WeakPolarHBondContact O-CB 3.31Å; E709-S713 PolarHBondContact O-N 3.3Å; E709-S713 PolarHBondContact O-OG 3.27Å
710K74.8Confident65.6Low168 Ų168124.3 Ų124.373%0.7363%0.633SS**Hα-helixtrans-67.3-27.5175.8-167.3177.4-179.3-175.50113.5K706 E707 Q708 S713K706-K710 PolarHBondContact O-N 3.44Å; K706-K710 VanDerWaalsContact O-N 3.16Å; E707-K710 PolarHBondContact O-N 3.19Å; Q708-K710 VanDerWaalsContact C-N 3.34Å; Q708-K710 PolarHBondContact O-N 3.21Å; K710-S713 PolarHBondContact O-OG 3.29Å
711R73.9Confident63.8Low152 Ų152130 Ų13057%0.57465%0.65SS**Hα-helixtrans-79.8-40.5174-69171.7-174.5-138.76.3111.7E707 Q708 E709 S713 S714E707-R711 WeakPolarHBondContact O-CG 3.24Å; E707-R711 PolarHBondContact O-N 3.47Å; E707-R711 IonicContact OE1-CZ 3.45Å; E707-R711 IonicContact OE1-NE 3.49Å; E707-R711 IonicContact OE1-NH2 2.68Å; E707-R711 PolarHBondContact OE1-NH2 3.13Å; Q708-R711 PolarHBondContact O-N 3.29Å; Q708-R711 VanDerWaalsContact O-N 3.15Å; E709-R711 VanDerWaalsContact C-N 3.32Å; E709-R711 PolarHBondContact O-N 2.97Å; R711-S713 VanDerWaalsContact C-N 3.34Å; R711-S713 PolarHBondContact O-N 2.82Å; R711-S714 PolarHBondContact O-N 2.99Å; R711-S714 PolarHBondContact O-OG 2.94Å
712N66.1Low61.5Low103 Ų103128.1 Ų128.155%0.55166%0.661SS**Hα-helixtrans-67.7-34.3178.8-69.99.5000111.7Q708 E709 S714Q708-N712 PolarHBondContact NE2-OD1 2.95Å; Q708-N712 WeakPolarHBondContact O-CB 3.36Å; Q708-N712 VanDerWaalsContact O-CG 3.27Å; Q708-N712 PolarHBondContact O-N 3Å; Q708-N712 PolarHBondContact O-OD1 3.07Å; E709-N712 PolarHBondContact O-N 3.27Å; N712-S714 VanDerWaalsContact C-N 3.26Å; N712-S714 PolarHBondContact O-N 3.02Å
713S62.4Low59.5Low97 Ų97134.4 Ų134.468%0.67867%0.672SS**THydrogen-bonded Turntrans-70.7-13.5179.261.10000115E709 K710 R711E709-S713 WeakPolarHBondContact O-CB 3.31Å; E709-S713 PolarHBondContact O-N 3.3Å; E709-S713 PolarHBondContact O-OG 3.27Å; K710-S713 PolarHBondContact O-OG 3.29Å; R711-S713 VanDerWaalsContact C-N 3.34Å; R711-S713 PolarHBondContact O-N 2.82Å
714S52.3Low57Low85 Ų85132.3 Ų132.359%0.59468%0.683SS**THydrogen-bonded Turntrans-95.2-12.8179.263.10000115R711 N712R711-S714 PolarHBondContact O-N 2.99Å; R711-S714 PolarHBondContact O-OG 2.94Å; N712-S714 VanDerWaalsContact C-N 3.26Å; N712-S714 PolarHBondContact O-N 3.02Å
715H50.7Low54.8Low167 Ų167134.8 Ų134.877%0.77369%0.692SS**THydrogen-bonded Turntrans-114.4-4.1-177.2-71.168.7000113.9G717H715-G717 PolarHBondContact O-N 2.89Å; H715-G717 VanDerWaalsContact O-N 3.1Å
716G40.1Very low52.2Low64 Ų64133.9 Ų133.966%0.6670%0.702SS**  trans-84.556-174.700000115.8S718G716-S718 PolarHBondContact O-N 3.32Å
717G47.7Very low49.8Very low75 Ų75138.2 Ų138.277%0.77371%0.714SS**  trans-73.670.5-178.600000115.2H715H715-G717 PolarHBondContact O-N 2.89Å; H715-G717 VanDerWaalsContact O-N 3.1Å
718S35.6Very low47.4Very low115 Ų115145.6 Ų145.680%0.80474%0.738SS**  trans-151.7145.4172.2-88.90000114.9G716G716-S718 PolarHBondContact O-N 3.32Å
719R43.3Very low45Very low233 Ų233151.4 Ų151.488%0.87976%0.755SS**  trans-100.5101.5-172.1-69.5172.8172.3151.9-3.3112.2
720S33Very low42.7Very low113 Ų113151.9 Ų151.979%0.7977%0.771SS**  trans-109.3106.3162.2440000110.2S722S720-S722 PolarHBondContact O-N 3.45Å
721R37.2Very low40.6Very low206 Ų206149.2 Ų149.278%0.77777%0.773SS**  trans-90.382.8-176.8-77.5179.2169.2149.2-6.4112.1
722S30.8Very low38.4Very low119 Ų119147.4 Ų147.483%0.83278%0.783SS**  trans-92119.6164.7-60.10000109.9S720S720-S722 PolarHBondContact O-N 3.45Å
723R35.5Very low36.6Very low193 Ų193151.8 Ų151.873%0.72879%0.792SS**  trans-112.998.8-172-80.9177.4164161-7.5113.2
724S30.9Very low35Very low122 Ų122152.8 Ų152.885%0.85380%0.799SS**  trans-146.4103.7159.4-65.50000106.5
725R35.4Very low33.7Very low223 Ų223154 Ų15484%0.84281%0.808SS**  cis71.283.837.6-78.5-171.2166.4179.5-5115.3
726S28.8Very low32.6Very low115 Ų115150.7 Ų150.780%0.80480%0.803SS**  trans-153.165.4160.851.30000113.1
727R33.8Very low32.1Very low250 Ų250156.2 Ų156.294%0.94381%0.812SS**  trans-127121.9153.5-75.2-170.2176.4175.9-1.2108.1
728R27.9Very low31.2Very low241 Ų241156.8 Ų156.891%0.90980%0.804SS**  trans-69.7144.9-173.8-78.3-178.7163.6-153.1-3.1110.9
729R29.1Very low31.1Very low235 Ų235157 Ų15789%0.88781%0.805SS**  trans-103.2135.3146.5-80.6-177.8169.1-175.6-5.5107.3
730S27.8Very low30.4Very low114 Ų114154.4 Ų154.480%0.79780%0.8SS**  trans-127.3134.8146.3-66.90000105.5
731S30.1Very low30.1Very low111 Ų111154 Ų15478%0.77680%0.797SS**  trans-141.8134.5-171.953.90000110.1
732S28.4Very low29.9Very low114 Ų114149.5 Ų149.580%0.79780%0.797SS**  trans-152.793.4173.553.80000111.8
733R28.4Very low29.9Very low195 Ų195155.6 Ų155.674%0.73680%0.802SS**  trans-161.4136.2144.3-103.7166.8-171.9-162.90.1106.4D644D644-R733 IonicContact OD1-CZ 3.76Å; D644-R733 IonicContact OD1-NH2 2.78Å; D644-R733 PolarHBondContact OD1-NH2 3.04Å; D644-R733 IonicContact OD2-CZ 2.86Å; D644-R733 IonicContact OD2-NH2 2.79Å; D644-R733 PolarHBondContact OD2-NH2 2.87Å
734S27.9Very low29.7Very low118 Ų118151.9 Ų151.983%0.82581%0.806SS**  trans-142.3107.8-156.4-58.40000112.8
735S25.6Very low29.7Very low111 Ų111158 Ų15878%0.77681%0.81SS**  trans-162.499.8162.538.90000108.2
736S28.1Very low29.6Very low97 Ų97153.5 Ų153.568%0.67881%0.813SS**  84.7121.861.174.40000113.4
737H28.6Very low29.7Very low181 Ų181151.7 Ų151.784%0.83881%0.812SS**  trans52.3156.8163.485.5-31.3000119.8
738S29.4Very low29.4Very low87 Ų87145.7 Ų145.761%0.60881%0.809SS**  cis-142.7158.69.263.30000113.3
739S33Very low29.6Very low118 Ų118139.2 Ų139.283%0.82580%0.8SS**  trans-100.7133.2-179.453.90000113.1
740K28.1Very low29.6Very low180 Ų180135.3 Ų135.378%0.78379%0.792SS**  trans-14293173.9-59.1179-172.21750109.3
741S28.1Very low29.9Very low103 Ų103134.8 Ų134.872%0.7279%0.788SS**  80.598.697.270.90000115.8
742S32.3Very low29.9Very low112 Ų112139.9 Ų139.978%0.78379%0.79SS**  trans31.6125138.260.30000121
743R30Very low30.1Very low247 Ų247139.6 Ų139.693%0.93279%0.788SS**  trans-153.6115.6136.9-117.7164-171.2161.53.4113.1
744S32.3Very low30.2Very low115 Ų115142.3 Ų142.380%0.80480%0.798SS**  trans-87.3136.2168.748.90000110.8
745R30.6Very low30.4Very low251 Ų251142 Ų14295%0.94780%0.796SS**  trans-141146.3156.5-76.4-164.1168.4174.1-3.5110
746S32.9Very low30.7Very low128 Ų128148.7 Ų148.790%0.89581%0.805SS**  trans-136.3157.2-171.851.30000110.7
747G30.9Very low30.9Very low77 Ų77149.7 Ų149.779%0.79481%0.811SS**  trans115.7144.7177.900000112.4
748S28.8Very low31Very low124 Ų124149.4 Ų149.487%0.86780%0.804SS**  cis-151.5161.7-8.6-165.70000110.9
749S31.9Very low31.2Very low105 Ų105150 Ų15073%0.73481%0.809SS**  trans-80.9143.5-176.652.70000113.5
750H28.4Very low31.1Very low154 Ų154155.1 Ų155.171%0.71381%0.81SS**  trans-140.1131.1144.5-151.975.4000111.9
751S34.4Very low31.3Very low102 Ų102151.9 Ų151.971%0.71381%0.809SS**  trans-135.1130.3177.757.20000109.3
752R30.6Very low31.6Very low219 Ų219159.1 Ų159.183%0.82682%0.821SS**  trans-155.7114.1165.9-109.4149.2-172.2173.80.2111.4
753S32.2Very low31.6Very low108 Ų108159.3 Ų159.376%0.75582%0.822SS**  trans-84.7162.3170.950.10000111.1
754R30Very low31.7Very low251 Ų251159.9 Ų159.995%0.94782%0.824SS**  trans-158.5106159.9-115.1163.3-171.3161.32.6112
755S32.1Very low31.7Very low111 Ų111159.6 Ų159.678%0.77682%0.822SS**  trans-84.8147.2171.4-42.60000110.6
756R31.4Very low31.7Very low253 Ų253159.2 Ų159.296%0.95582%0.821SS**  trans-141.1137.4155.4-79.5-166.5169.3131.8-3.6110.1
757S32.5Very low31.7Very low117 Ų117157.3 Ų157.382%0.81881%0.808SS**  trans-121.3147.5179.9-51.60000109.4
758Y31.1Very low31.6Very low176 Ų176165.2 Ų165.269%0.6981%0.814SS**  trans-144.2139159.9-178.6-107.6000110.1R760Y758-R760 HydrophobicContact CE1-CB 4.43Å; Y758-R760 HydrophobicContact CE1-CG 3.98Å; Y758-R760 VanDerWaalsContact OH-CZ 3.3Å; Y758-R760 PolarHBondContact OH-NE 3.23Å; Y758-R760 VanDerWaalsContact OH-NE 3.14Å
759S33Very low31.7Very low100 Ų100164.9 Ų164.970%0.69981%0.811SS**  trans-115.1135.7-173-51.30000110.6
760R32.7Very low31.8Very low225 Ų225164.7 Ų164.785%0.84981%0.81SS**  trans-142.8111.6160.2-105.6179.4-178.1152.64.4110.8Y758Y758-R760 HydrophobicContact CE1-CB 4.43Å; Y758-R760 HydrophobicContact CE1-CG 3.98Å; Y758-R760 VanDerWaalsContact OH-CZ 3.3Å; Y758-R760 PolarHBondContact OH-NE 3.23Å; Y758-R760 VanDerWaalsContact OH-NE 3.14Å
761S32.4Very low32Very low111 Ų111169.3 Ų169.378%0.77682%0.821SS**  trans-94.3147.9174.845.90000111
762R32.3Very low31.9Very low255 Ų255169.4 Ų169.496%0.96282%0.822SS**  trans-153.1109.5161.7-111.3176.6-175179.31.4110.2
763S32.4Very low31.8Very low116 Ų116167.7 Ų167.781%0.81182%0.823SS**  trans-85145.6-179.8-41.70000111.6
764R33.1Very low31.9Very low259 Ų259167.6 Ų167.698%0.97782%0.822SS**  trans-160.4134.4150.1-109.1162.5-167.2-177.42.8110
765S32.3Very low31.9Very low109 Ų109159.4 Ų159.476%0.76282%0.816SS**  trans-124.8151.2-175.750.10000110.7
766R31.3Very low32Very low243 Ų243159.8 Ų159.892%0.91782%0.819SS**  trans-174.995.9155.7-101.6150.8-167.6-163.52.3113
767S31.1Very low31.9Very low89 Ų89159.5 Ų159.562%0.62282%0.817SS**  40.4123.4118.9-53.40000122.3
768R30.4Very low31.9Very low242 Ų242159 Ų15991%0.91381%0.814SS**  trans68.8146140-53.3162.8-169.2174.70.5115.6
769S30.4Very low31.8Very low117 Ų117162.5 Ų162.582%0.81883%0.826SS**  cis-155.2-170.125.157.70000112.6
770S33.1Very low31.7Very low102 Ų102163 Ų16371%0.71383%0.83SS**  trans-92.1156.7-179.752.60000114.3
771R32.4Very low31.5Very low251 Ų251161.3 Ų161.395%0.94783%0.831SS**  -172.1156.6129.9-104.6161.8-176.6178.90.3112.8
772S32.9Very low31.5Very low104 Ų104159.8 Ų159.873%0.72782%0.82SS**  trans-107.2145.9178.848.70000111.5
773H28.8Very low31.3Very low183 Ų183154.9 Ų154.985%0.84781%0.813SS**  trans-159.5161.1139.3-124.660.9000114.3
774S33.7Very low31.4Very low106 Ų106154.7 Ų154.774%0.74181%0.812SS**  trans-83.6163.1173.250.40000111.9
775G30.8Very low32.3Very low78 Ų78146.9 Ų146.980%0.80479%0.794SS**  trans-174.674.4-179.700000115.2
776S33.3Very low32.5Very low120 Ų120147.1 Ų147.184%0.83979%0.792SS**  trans-73.3131.2171.2-49.60000111.4
777R30.5Very low32.6Very low246 Ų246140.9 Ų140.993%0.92877%0.771SS**  trans-162.8131.1153.7-113.3157.1-168.1173.14.3113.5
778S31.5Very low32.8Very low108 Ų108140.7 Ų140.776%0.75576%0.757SS**  trans-94.6156.8165.750.40000110.7
779R28.7Very low33.1Very low249 Ų249135.6 Ų135.694%0.9474%0.738SS**  trans-169.5150.1150.7-105.9155.4-169.2-165.90.5110.7
780S30.5Very low33.3Very low110 Ų110139.8 Ų139.877%0.76974%0.736SS**  trans-115.5160.9179.3-38.20000109.2
781H28.8Very low33.3Very low189 Ų189138.1 Ų138.188%0.87573%0.734SS**  -163155.6126.4-115.1-76.7000114.9
782S33.3Very low34.3Very low79 Ų79131.9 Ų131.955%0.55273%0.726SS**  trans-66.2161-175.752.60000116.8
783N28.1Very low34.1Very low153 Ų153136.9 Ų136.982%0.81874%0.735SS**  -162.2160.4105.9-93.7-12.3000114.4
784S34.8Very low34.2Very low111 Ų111133.1 Ų133.178%0.77673%0.729SS**  trans-136.4-173.8175.4-34.90000106.8
785P51.2Low34Very low95 Ų95140 Ų14062%0.61774%0.739SS**  cis-134.8174.134.628.2-1.9000114.3
786T36.1Very low34.1Very low115 Ų115141.5 Ų141.571%0.70674%0.737SS**  177.6150.383.1330000111.7
787K33.9Very low33.9Very low112 Ų112142.5 Ų142.549%0.48774%0.738SS.*  cis-172.1159.8-7.2-147.5-171.9171.3-174.80105E484 P485 S486E484-K787 CarbonylContact C-O 3.57Å; E484-K787 WeakPolarHBondContact CB-O 3.37Å; E484-K787 WeakPolarHBondContact CG-O 3.19Å; E484-K787 CarbonylContact O-C 3.15Å; E484-K787 WeakPolarHBondContact O-CA 3.4Å; E484-K787 WeakPolarHBondContact O-CB 3.25Å; E484-K787 VanDerWaalsContact O-O 3.11Å; P485-K787 VanDerWaalsContact C-C 3.48Å; P485-K787 VanDerWaalsContact CA-C 3.44Å; P485-K787 HydrophobicContact CB-CB 4.37Å; P485-K787 HydrophobicContact CB-CD 3.96Å; P485-K787 HydrophobicContact CB-CG 3.93Å; S486-K787 VanDerWaalsContact CB-CG 3.46Å; S486-K787 VanDerWaalsContact N-C 3.3Å; S486-K787 WeakPolarHBondContact OG-CA 3.41Å; S486-K787 WeakPolarHBondContact OG-CB 3.41Å; S486-K787 WeakPolarHBondContact OG-CG 3.34Å
788R35.7Very low34Very low84 Ų84136.2 Ų136.232%0.31773%0.732SS.*  trans-69.4175.2-167.7-31.2152.8-154.6119.4-9.5124.8E484 P485 S486 F487E484-R788 CarbonylContact C-O 3.18Å; E484-R788 VanDerWaalsContact CA-O 3.3Å; E484-R788 WeakPolarHBondContact CA-O 3.44Å; E484-R788 WeakPolarHBondContact CG-O 3.45Å; E484-R788 WeakPolarHBondContact OE1-CA 3.39Å; P485-R788 WeakPolarHBondContact CD-O 3.27Å; P485-R788 VanDerWaalsContact O-CB 3.23Å; P485-R788 WeakPolarHBondContact O-CB 3.46Å; P485-R788 WeakPolarHBondContact O-CD 3.39Å; P485-R788 WeakPolarHBondContact O-CG 3.36Å; P485-R788 VanDerWaalsContact O-CZ 3.27Å; P485-R788 PolarHBondContact O-N 2.99Å; P485-R788 PolarHBondContact O-NE 3.21Å; P485-R788 PolarHBondContact O-NH1 3.29Å; S486-R788 VanDerWaalsContact CA-CG 3.42Å; S486-R788 PolarHBondContact O-NE 2.92Å; S486-R788 PolarHBondContact O-NH2 3.08Å; F487-R788 PolarHBondContact O-NE 3.01Å; F487-R788 VanDerWaalsContact O-NE 3.16Å; F487-R788 PolarHBondContact O-NH2 3.21Å
789R37.2Very low34.7Very low136 Ų136136.4 Ų136.451%0.51373%0.731SS.*  109.8150.3123.6-95.4175.3-171.7-163.48.4117.4E484E484-R789 PolarHBondContact OE1-N 3.44Å
790R34.3Very low34.6Very low205 Ų205129.4 Ų129.477%0.77472%0.72SS**  cis-162.8146.5-15.7-135.2172.8-157.2-176.4-0105.7
791G32.3Very low34.5Very low66 Ų66129.3 Ų129.368%0.6872%0.719SS**  145.5171.763.100000110.3
792P53.8Low34.6Very low120 Ų120127.1 Ų127.178%0.77972%0.719SS**  trans-129.6178.7-151.843.1-30.2000116.2
793K28.6Very low34.5Very low209 Ų209128 Ų12891%0.90973%0.732SS**  trans-157.6161.4140.2-111.6157.3-172.21760113
794S30.5Very low34.5Very low105 Ų105124.3 Ų124.373%0.73473%0.729SS**  trans-128.1159.1-175.4-27.30000109.8
795R29.2Very low34.3Very low249 Ų249127.9 Ų127.994%0.9474%0.739SS**  173.5156.2127.5-94.8154.2-172.8176.2-0.3112.9
796S33.7Very low33.3Very low110 Ų110127.3 Ų127.377%0.76975%0.751SS**  trans-116.5133.5172.351.90000109.8
797T28.2Very low32.9Very low141 Ų141127.8 Ų127.887%0.86576%0.759SS**  trans-163.9127.8163.926.30000111.4
798S33.9Very low32.8Very low114 Ų114127.3 Ų127.380%0.79777%0.769SS**  trans-87.9179148.1-47.50000108.3
799P45.1Very low32.6Very low113 Ų113128.3 Ų128.373%0.73479%0.789SS**  cis-144.8-165.212.743.4-21.9000116.8
800S26.5Very low32.4Very low102 Ų102126.8 Ų126.871%0.71380%0.799SS**  trans75.6101.5147.9-61.80000124
801S29.8Very low32.4Very low107 Ų107126.9 Ų126.975%0.74881%0.805SS**  54.9138.8112.9-48.80000125.2
802T30.3Very low32.4Very low143 Ų143132.5 Ų132.588%0.87782%0.816SS**  trans75.4145.7163.173.50000118.2
803A31.6Very low31.3Very low98 Ų98132.7 Ų132.781%0.8182%0.82SS**  cis-166.8156-20.900000112.5
804G28.4Very low31.9Very low75 Ų75129 Ų12977%0.77382%0.815SS**  trans82.8151.3161.800000117.1
805L31Very low32.4Very low186 Ų186130.6 Ų130.697%0.97482%0.816SS**  cis-152.11563-81.7163.5000109.9
806G28.6Very low33.3Very low84 Ų84125.6 Ų125.687%0.86681%0.813SS**  trans159.4125.5168.700000114.8
807S28.8Very low34.3Very low125 Ų125128.5 Ų128.587%0.87481%0.807SS**  trans-136.7150.9-174.9-172.20000109.5
808S30.4Very low35.6Very low101 Ų101125.6 Ų125.671%0.70679%0.786SS**  cis-134.1-162.10.3600000108.7
809S32.1Very low36.6Very low106 Ų106120.7 Ų120.774%0.74175%0.754SS**  cis-163-175.69.5-131.70000108.1
810S32.8Very low37.3Very low103 Ų103121.9 Ų121.972%0.7275%0.75SS**  cis-152.3134.3-1.844.20000110.7
811K34.9Very low38.7Very low207 Ų207124.2 Ų124.290%0.975%0.749SS**  trans24.3106.8161.4-64.7-177.8178.2-179.90120
812M32.2Very low40.8Very low185 Ų185122.2 Ų122.291%0.91173%0.73SS**  -123.6153.9128.1-73.5-168.671.500108.8
813S31.2Very low42.4Very low123 Ų123123.6 Ų123.686%0.8672%0.724SS**  trans-81.2120.8-169.350.50000113.3
814T41.3Very low44Very low131 Ų131120.3 Ų120.380%0.80470%0.7SS**  trans-108.898.3172.6540000111
815D40.8Very low45.9Very low140 Ų140117.5 Ų117.575%0.74967%0.666SS**  trans-148.7103.1156.4-116.6-38.6000110.9
816T48.7Very low47.6Very low144 Ų144113.6 Ų113.688%0.88364%0.643SS**  trans-132.745.2179.642.60000110.2
817R54.1Low49.2Very low170 Ų170115.4 Ų115.464%0.64263%0.632SS**SBendtrans-127.4144.8172.6-67.1-172.9-179.3178.12.9110G819 V841R817-G819 PolarHBondContact O-N 3.05Å; R817-V841 HydrophobicContact CB-CG2 3.96Å; R817-V841 PolarHBondContact NH1-O 2.89Å
818L56Low51.1Low80 Ų80112.3 Ų112.342%0.41961%0.605SS.*  trans-79.1117.3-179.8-58171.9000109.2N822 H825 G840L818-N822 HydrophobicContact CB-CB 4.39Å; L818-N822 HydrophobicContact CD2-CB 4.41Å; L818-H825 HydrophobicContact CB-CB 4.38Å; L818-G840 WeakPolarHBondContact O-CA 3.14Å
819G54Low52.7Low12 Ų12111.3 Ų111.312%0.12459%0.592CS.*  trans-75.4170.4167.600000112.6R817 E821 N822 H825R817-G819 PolarHBondContact O-N 3.05Å; G819-E821 WeakPolarHBondContact CA-OE1 3.45Å; G819-E821 WeakPolarHBondContact CA-OE2 3.25Å; G819-E821 PolarHBondContact O-N 2.91Å; G819-N822 WeakPolarHBondContact O-CB 3.43Å; G819-N822 PolarHBondContact O-N 3.38Å; G819-H825 VanDerWaalsContact O-CB 3.28Å; G819-H825 WeakPolarHBondContact O-CB 3.35Å
820E60.2Low54Low138 Ų138113.8 Ų113.865%0.64559%0.589SS**THydrogen-bonded Turntrans-68.4-27.1-176.5-66168.7-150.400112.1N822 Q826E820-N822 VanDerWaalsContact C-N 3.26Å; E820-N822 PolarHBondContact O-N 3.01Å; E820-Q826 WeakPolarHBondContact O-CG 3.11Å; E820-Q826 PolarHBondContact O-NE2 3.43Å
821E56.1Low55Low151 Ų151116 Ų11671%0.70659%0.59SS**THydrogen-bonded Turntrans-71.6-12.5171.972.3-69163.200114.1G819G819-E821 WeakPolarHBondContact CA-OE1 3.45Å; G819-E821 WeakPolarHBondContact CA-OE2 3.25Å; G819-E821 PolarHBondContact O-N 2.91Å
822N72.8Confident55.8Low65 Ų65109 Ų10935%0.34858%0.577SS.*SBendtrans-77.9128.4-178.2-166.9-63.6000111.4L818 G819 E820 G824 H825 Q826L818-N822 HydrophobicContact CB-CB 4.39Å; L818-N822 HydrophobicContact CD2-CB 4.41Å; G819-N822 WeakPolarHBondContact O-CB 3.43Å; G819-N822 PolarHBondContact O-N 3.38Å; E820-N822 VanDerWaalsContact C-N 3.26Å; E820-N822 PolarHBondContact O-N 3.01Å; N822-G824 PolarHBondContact O-N 3.03Å; N822-G824 VanDerWaalsContact O-N 3.1Å; N822-G824 PolarHBondContact OD1-N 3.41Å; N822-H825 HydrophobicContact CB-CB 4.29Å; N822-H825 WeakPolarHBondContact O-CB 3.45Å; N822-H825 PolarHBondContact O-N 2.91Å; N822-Q826 PolarHBondContact O-N 2.87Å; N822-Q826 VanDerWaalsContact O-N 3.11Å
823K64.1Low57Low172 Ų172106.8 Ų106.875%0.74856%0.559SS**Hα-helixtrans-55.5-31178.7-67.2-176.3178.4-1800113.4L827K823-L827 WeakPolarHBondContact O-CB 3.27Å; K823-L827 PolarHBondContact O-N 2.84Å
824G64.9Low58Low29 Ų29104.9 Ų104.930%0.29955%0.545SS..Hα-helixtrans-68.7-39.4174.600000113.4N822 L827 L828N822-G824 PolarHBondContact O-N 3.03Å; N822-G824 VanDerWaalsContact O-N 3.1Å; N822-G824 PolarHBondContact OD1-N 3.41Å; G824-L827 PolarHBondContact O-N 3.37Å; G824-L828 WeakPolarHBondContact O-CG 3.23Å; G824-L828 PolarHBondContact O-N 2.98Å
825H68.1Low58.2Low16 Ų16101 Ų1017%0.07453%0.531CS..Hα-helixtrans-63-44.4173.6-179.8-88000110.9L818 G819 N822 L828 L829L818-H825 HydrophobicContact CB-CB 4.38Å; G819-H825 VanDerWaalsContact O-CB 3.28Å; G819-H825 WeakPolarHBondContact O-CB 3.35Å; N822-H825 HydrophobicContact CB-CB 4.29Å; N822-H825 WeakPolarHBondContact O-CB 3.45Å; N822-H825 PolarHBondContact O-N 2.91Å; H825-L828 PolarHBondContact O-N 3.2Å; H825-L829 VanDerWaalsContact CE1-CD1 3.44Å; H825-L829 WeakPolarHBondContact CE1-CD1 3.47Å; H825-L829 PolarHBondContact O-N 3.09Å
826Q66.6Low58.6Low103 Ų10398 Ų9848%0.48152%0.522SS..Hα-helixtrans-67.2-35.4177.3-63.5175.49.600112.6E820 N822 K830E820-Q826 WeakPolarHBondContact O-CG 3.11Å; E820-Q826 PolarHBondContact O-NE2 3.43Å; N822-Q826 PolarHBondContact O-N 2.87Å; N822-Q826 VanDerWaalsContact O-N 3.11Å; Q826-K830 WeakPolarHBondContact O-CB 3.25Å; Q826-K830 PolarHBondContact O-N 3.43Å
827L64.2Low59Low122 Ų12292.1 Ų92.164%0.63949%0.489SS*.Hα-helixtrans-63.1-47.4171.6-118.379000111.7K823 G824 L829 K830 M831K823-L827 WeakPolarHBondContact O-CB 3.27Å; K823-L827 PolarHBondContact O-N 2.84Å; G824-L827 PolarHBondContact O-N 3.37Å; L827-L829 PolarHBondContact O-N 2.7Å; L827-K830 CarbonylContact O-C 3.53Å; L827-K830 PolarHBondContact O-N 2.86Å; L827-K830 VanDerWaalsContact O-N 3.17Å; L827-M831 WeakPolarHBondContact O-CB 3.29Å; L827-M831 WeakPolarHBondContact O-CG 3.31Å; L827-M831 PolarHBondContact O-N 3.17Å
828L68.1Low59.1Low60 Ų6084.4 Ų84.431%0.31446%0.462SS..Hα-helixtrans-61.4-43.8-179.6-74164.2000111.6G824 H825 M831 G832 W833 L839G824-L828 WeakPolarHBondContact O-CG 3.23Å; G824-L828 PolarHBondContact O-N 2.98Å; H825-L828 PolarHBondContact O-N 3.2Å; L828-M831 CarbonylContact O-C 3.42Å; L828-M831 WeakPolarHBondContact O-CA 3.24Å; L828-M831 PolarHBondContact O-N 2.91Å; L828-M831 VanDerWaalsContact O-N 3.14Å; L828-G832 PolarHBondContact O-N 3.38Å; L828-W833 HydrophobicContact CB-CB 4.28Å; L828-W833 HydrophobicContact CB-CG 4.34Å; L828-W833 HydrophobicContact CD2-CD2 4.36Å; L828-W833 HydrophobicContact CD2-CG 4.35Å; L828-W833 WeakPolarHBondContact O-CB 3.46Å; L828-W833 PolarHBondContact O-N 3.43Å; L828-L839 HydrophobicContact CB-CD2 3.87Å; L828-L839 HydrophobicContact CD1-CD1 4.42Å
829L62.7Low58.8Low81 Ų8182.2 Ų82.242%0.42445%0.451SS..Hα-helixtrans-57.4-48.5170.7-87.5161.6000112.3H825 L827 M831 G832 W833 L839H825-L829 VanDerWaalsContact CE1-CD1 3.44Å; H825-L829 WeakPolarHBondContact CE1-CD1 3.47Å; H825-L829 PolarHBondContact O-N 3.09Å; L827-L829 PolarHBondContact O-N 2.7Å; L829-M831 PolarHBondContact O-N 3.11Å; L829-G832 PolarHBondContact O-N 3.45Å; L829-W833 VanDerWaalsContact CD2-O 3.31Å; L829-W833 WeakPolarHBondContact CD2-O 3.39Å; L829-L839 HydrophobicContact CG-CD2 4.26Å
830K59.3Low58.7Low157 Ų15782.9 Ų82.968%0.68346%0.457SS*.Hα-helixtrans-65.8-20.2177.6-166.7171.3-179.1-179.40112.9D75 Q826 L827D75-K830 PolarHBondContact O-NZ 3.04Å; Q826-K830 WeakPolarHBondContact O-CB 3.25Å; Q826-K830 PolarHBondContact O-N 3.43Å; L827-K830 CarbonylContact O-C 3.53Å; L827-K830 PolarHBondContact O-N 2.86Å; L827-K830 VanDerWaalsContact O-N 3.17Å
831M54.6Low58.2Low150 Ų15079.7 Ų79.774%0.73945%0.447SS*.THydrogen-bonded Turntrans-92.812.1173.5-63.5-73.5-86.700113.3L827 L828 L829L827-M831 WeakPolarHBondContact O-CB 3.29Å; L827-M831 WeakPolarHBondContact O-CG 3.31Å; L827-M831 PolarHBondContact O-N 3.17Å; L828-M831 CarbonylContact O-C 3.42Å; L828-M831 WeakPolarHBondContact O-CA 3.24Å; L828-M831 PolarHBondContact O-N 2.91Å; L828-M831 VanDerWaalsContact O-N 3.14Å; L829-M831 PolarHBondContact O-N 3.11Å
832G51.8Low57.7Low61 Ų6181.7 Ų81.763%0.62945%0.454SS*.THydrogen-bonded Turntrans96.76.6170.300000116.5L828 L829 S834L828-G832 PolarHBondContact O-N 3.38Å; L829-G832 PolarHBondContact O-N 3.45Å; G832-S834 PolarHBondContact O-N 3.42Å
833W57.2Low56.8Low138 Ų13883 Ų8352%0.52346%0.458SS..  trans-82.690.4177.6-67.162.5000110.7L828 L829 L839L828-W833 HydrophobicContact CB-CB 4.28Å; L828-W833 HydrophobicContact CB-CG 4.34Å; L828-W833 HydrophobicContact CD2-CD2 4.36Å; L828-W833 HydrophobicContact CD2-CG 4.35Å; L828-W833 WeakPolarHBondContact O-CB 3.46Å; L828-W833 PolarHBondContact O-N 3.43Å; L829-W833 VanDerWaalsContact CD2-O 3.31Å; L829-W833 WeakPolarHBondContact CD2-O 3.39Å; W833-L839 HydrophobicContact CB-CD1 4.34Å; W833-L839 HydrophobicContact CE3-CD1 4.13Å
834S51.7Low56.1Low82 Ų8283.7 Ų83.757%0.57346%0.463SS*.  trans-80.3133.8179.954.70000113.3G832 S836G832-S834 PolarHBondContact O-N 3.42Å; S834-S836 PolarHBondContact O-N 3.37Å
835G47.3Very low55.3Low50 Ų5084.4 Ų84.452%0.51547%0.471SS..SBendtrans-73.164.7176.800000114.3
836S49.1Very low54.3Low78 Ų7889.3 Ų89.355%0.54550%0.497SS..SBendtrans-123.925.417062.50000111.3S834 Q847S834-S836 PolarHBondContact O-N 3.37Å; S836-Q847 PolarHBondContact O-NE2 2.89Å; S836-Q847 PolarHBondContact O-OE1 2.86Å
837G55.6Low53.1Low20 Ų2090.9 Ų90.921%0.20650%0.504CS..SBendtrans165.222.3-158.400000114.4E843 Q847G837-E843 PolarHBondContact N-OE2 3.49Å; G837-Q847 VanDerWaalsContact CA-NE2 3.35Å
838G57Low52.1Low7 Ų792.2 Ų92.27%0.07251%0.512CS..  trans104.791.1168.200000117.7E843 G845G838-E843 WeakPolarHBondContact CA-OE2 3.36Å; G838-E843 PolarHBondContact N-OE2 2.68Å; G838-G845 WeakPolarHBondContact O-CA 3.47Å
839L49.5Very low51.1Low35 Ų3593.6 Ų93.618%0.18353%0.525CS..  trans-134.4148.5147.3-137.672.3000108.6L828 L829 W833L828-L839 HydrophobicContact CB-CD2 3.87Å; L828-L839 HydrophobicContact CD1-CD1 4.42Å; L829-L839 HydrophobicContact CG-CD2 4.26Å; W833-L839 HydrophobicContact CB-CD1 4.34Å; W833-L839 HydrophobicContact CE3-CD1 4.13Å
840G51.9Low50.2Low25 Ų2597.7 Ų97.726%0.25855%0.545SS..SBendtrans83.1-174.9176.200000116.5L818 K842L818-G840 WeakPolarHBondContact O-CA 3.14Å; G840-K842 VanDerWaalsContact C-N 3.29Å; G840-K842 PolarHBondContact O-N 3.28Å
841V48.8Very low49.5Very low72 Ų7298.3 Ų98.344%0.43655%0.548SS..THydrogen-bonded Turntrans-64.4-26.6-164.7-179.90000114.4R817R817-V841 HydrophobicContact CB-CG2 3.96Å; R817-V841 PolarHBondContact NH1-O 2.89Å
842K46.2Very low49.1Very low193 Ų19395.5 Ų95.584%0.83956%0.557SS**THydrogen-bonded Turntrans-102.6-9.8-164.1-66.6172.2-176.3161.40115.4G840G840-K842 VanDerWaalsContact C-N 3.29Å; G840-K842 PolarHBondContact O-N 3.28Å
843E55Low48.7Very low93 Ų9394.8 Ų94.844%0.43555%0.55SS..SBendtrans-129.8156.4-176.7-67.7-167.1166.200111.7G837 G838G837-E843 PolarHBondContact N-OE2 3.49Å; G838-E843 WeakPolarHBondContact CA-OE2 3.36Å; G838-E843 PolarHBondContact N-OE2 2.68Å
844Q49.8Very low48.1Very low185 Ų18595.6 Ų95.686%0.86456%0.564SS**  trans-90.5109.5173.6-72.7-163-12.300110.7I846Q844-I846 PolarHBondContact O-N 3.17Å
845G47.7Very low48.2Very low45 Ų4597.1 Ų97.146%0.46457%0.57SS.*SBendtrans-67.698174.500000112.8G838G838-G845 WeakPolarHBondContact O-CA 3.47Å
846I46.2Very low48.6Very low118 Ų11898.2 Ų98.261%0.60556%0.558SS**  trans172.2102.2142.2-89.9154.3000106.6Q844 P849Q844-I846 PolarHBondContact O-N 3.17Å; I846-P849 HydrophobicContact CG2-CB 3.7Å; I846-P849 HydrophobicContact CG2-CG 4Å
847Q41.6Very low49.2Very low136 Ų136100.3 Ų100.364%0.63656%0.564SS**SBendtrans-103.7111.6163.4-164172.110000105.4S836 G837S836-Q847 PolarHBondContact O-NE2 2.89Å; S836-Q847 PolarHBondContact O-OE1 2.86Å; G837-Q847 VanDerWaalsContact CA-NE2 3.35Å
848D43.5Very low49.2Very low150 Ų150104 Ų10480%0.80257%0.574SS**SBendtrans61.492.5-165.8-64.7-27.9000116.1I850D848-I850 PolarHBondContact O-N 3.43Å
849P46.5Very low49Very low90 Ų90114.6 Ų114.658%0.58461%0.612SS**  trans-68128.7170.125.1-29.4000111I846 K851I846-P849 HydrophobicContact CG2-CB 3.7Å; I846-P849 HydrophobicContact CG2-CG 4Å; P849-K851 PolarHBondContact O-N 2.82Å
850I44.1Very low49.5Very low167 Ų167113.9 Ų113.986%0.85661%0.608SS**  trans-60.4109.2168.7-57.7173000108.4D848 G852D848-I850 PolarHBondContact O-N 3.43Å; I850-G852 PolarHBondContact O-N 3.08Å
851K44.6Very low49.9Very low170 Ų170117.7 Ų117.774%0.73962%0.619SS**  trans-69.2121.1168.2-69.4177.6-178.1170.70108.3P849 G853P849-K851 PolarHBondContact O-N 2.82Å; K851-G853 PolarHBondContact O-N 3Å
852G47Very low50.3Low91 Ų91124 Ų12494%0.93864%0.637SS**THydrogen-bonded Turntrans-63.7101.1165.400000109.2I850I850-G852 PolarHBondContact O-N 3.08Å
853G43.4Very low50.9Low45 Ų45117.1 Ų117.146%0.46461%0.607SS.*THydrogen-bonded Turntrans179.2-52.2-176.500000113.3K851 V855K851-G853 PolarHBondContact O-N 3Å; G853-V855 PolarHBondContact O-N 3.06Å
854D44.4Very low50.6Low155 Ų155114.7 Ų114.783%0.82961%0.607SS**  trans-73.288.8-169.2-65.9-27.6000113.1R856D854-R856 PolarHBondContact O-N 2.79Å
855V54.3Low50.6Low114 Ų114113.2 Ų113.269%0.69161%0.61SS**  trans-63121.7167.9179.40000108.8G853 D857G853-V855 PolarHBondContact O-N 3.06Å; V855-D857 PolarHBondContact O-N 3.27Å
856R54.8Low50.8Low74 Ų74114.7 Ų114.728%0.27963%0.626SS.*  trans-52.9133171.9-84.5-178164.2-176.6-10.3110.2D854 K863 G864 V867D854-R856 PolarHBondContact O-N 2.79Å; R856-K863 PolarHBondContact NH1-O 3.22Å; R856-G864 PolarHBondContact NH1-O 3.1Å; R856-V867 PolarHBondContact NH2-O 3.02Å
857D61.2Low51Low122 Ų122112.5 Ų112.565%0.65262%0.618SS**  trans-45.5146.3175.9-115.1-36.3000111.8V855 W859 D860 Q861V855-D857 PolarHBondContact O-N 3.27Å; D857-W859 PolarHBondContact O-N 3.09Å; D857-D860 CarbonylContact O-C 3.57Å; D857-D860 WeakPolarHBondContact O-CA 3.36Å; D857-D860 PolarHBondContact O-N 3.45Å; D857-Q861 PolarHBondContact O-N 2.99Å
858K56.9Low51.7Low97 Ų97109.6 Ų109.642%0.42261%0.612SS.*THydrogen-bonded Turntrans-55.2-16.7-174.9-84.8169.3174.41610115.7E248E248-K858 WeakPolarHBondContact OE1-CE 3.5Å; E248-K858 IonicContact OE1-NZ 2.78Å; E248-K858 PolarHBondContact OE1-NZ 3Å; E248-K858 IonicContact OE2-NZ 2.71Å; E248-K858 PolarHBondContact OE2-NZ 3.26Å
859W51.7Low52.5Low229 Ų229106.6 Ų106.687%0.86760%0.596SS**THydrogen-bonded Turntrans-84.8-25.8175.8-58.795.1000113.2D857D857-W859 PolarHBondContact O-N 3.09Å
860D59.3Low53.2Low20 Ų20108 Ų10811%0.10760%0.598CS.*THydrogen-bonded Turntrans-110.4-5.3-178.8-66.4-55.8000113.2D857 Y862 K863 L869D857-D860 CarbonylContact O-C 3.57Å; D857-D860 WeakPolarHBondContact O-CA 3.36Å; D857-D860 PolarHBondContact O-N 3.45Å; D860-Y862 PolarHBondContact O-N 3.14Å; D860-K863 HydrophobicContact CB-CD 4.28Å; D860-K863 WeakPolarHBondContact O-CB 3.46Å; D860-K863 PolarHBondContact O-N 2.74Å; D860-K863 VanDerWaalsContact OD1-CD 3.24Å; D860-K863 WeakPolarHBondContact OD1-CD 3.49Å; D860-K863 WeakPolarHBondContact OD1-CE 3.26Å; D860-K863 IonicContact OD1-NZ 3.72Å; D860-K863 PolarHBondContact OD1-NZ 2.86Å; D860-L869 HydrophobicContact CB-CD2 3.95Å
861Q61.6Low54.4Low105 Ų105102.8 Ų102.849%0.49157%0.572SS.*THydrogen-bonded Turntrans-52.5-26.6176.7-172.7178.23.800114.1D857D857-Q861 PolarHBondContact O-N 2.99Å
862Y56.2Low55.3Low205 Ų20599.6 Ų99.680%0.80457%0.569SS**THydrogen-bonded Turntrans-95.7-0.3177.9-59.7-81.5000114.2D860D860-Y862 PolarHBondContact O-N 3.14Å
863K58.6Low55.7Low48 Ų48103.3 Ų103.321%0.20956%0.556CS.*SBendtrans-80.3134.5172.6-69.6-178.7177.9167.40109.6R856 D860 V867R856-K863 PolarHBondContact NH1-O 3.22Å; D860-K863 HydrophobicContact CB-CD 4.28Å; D860-K863 WeakPolarHBondContact O-CB 3.46Å; D860-K863 PolarHBondContact O-N 2.74Å; D860-K863 VanDerWaalsContact OD1-CD 3.24Å; D860-K863 WeakPolarHBondContact OD1-CD 3.49Å; D860-K863 WeakPolarHBondContact OD1-CE 3.26Å; D860-K863 IonicContact OD1-NZ 3.72Å; D860-K863 PolarHBondContact OD1-NZ 2.86Å; K863-V867 HydrophobicContact CB-CB 4.28Å; K863-V867 HydrophobicContact CB-CG1 4.3Å; K863-V867 HydrophobicContact CD-CG1 4.08Å; K863-V867 HydrophobicContact CG-CG1 4.41Å
864G50.2Low56.9Low43 Ų43102.6 Ų102.644%0.44354%0.54SS..PPolyproline II helixtrans-60.1156.417600000113.4R856 V867R856-G864 PolarHBondContact NH1-O 3.1Å; G864-V867 WeakPolarHBondContact O-CB 3.46Å; G864-V867 WeakPolarHBondContact O-CG2 3.39Å; G864-V867 PolarHBondContact O-N 2.9Å
865V49.3Very low58.1Low153 Ų15397.5 Ų97.593%0.92751%0.513SS*.THydrogen-bonded Turntrans-62.2137.6170.3-174.70000108.5V867V865-V867 VanDerWaalsContact C-N 3.35Å
866G52.3Low59Low77 Ų7798 Ų9879%0.79450%0.504SS*.THydrogen-bonded Turntrans87.9-13.8-17300000115.4S868G866-S868 PolarHBondContact O-N 3.05Å
867V49.5Very low60Low72 Ų72101.9 Ų101.944%0.43652%0.518SS..  trans-71.8126.8169.9-1790000109.5R856 K863 G864 V865 L869R856-V867 PolarHBondContact NH2-O 3.02Å; K863-V867 HydrophobicContact CB-CB 4.28Å; K863-V867 HydrophobicContact CB-CG1 4.3Å; K863-V867 HydrophobicContact CD-CG1 4.08Å; K863-V867 HydrophobicContact CG-CG1 4.41Å; G864-V867 WeakPolarHBondContact O-CB 3.46Å; G864-V867 WeakPolarHBondContact O-CG2 3.39Å; G864-V867 PolarHBondContact O-N 2.9Å; V865-V867 VanDerWaalsContact C-N 3.35Å; V867-L869 PolarHBondContact O-N 3.47Å
868S56.3Low60.5Low74 Ų74100.9 Ų100.952%0.51751%0.505SS..  trans-58133.3174.4-175.60000111G866 D870G866-S868 PolarHBondContact O-N 3.05Å; S868-D870 VanDerWaalsContact C-N 3.3Å; S868-D870 PolarHBondContact OG-N 3.04Å
869L61.1Low61.2Low88 Ų88100.9 Ų100.946%0.46151%0.51SS..SBendtrans-73-28.7172.5-68.1173.4000111.4D860 V867 D871D860-L869 HydrophobicContact CB-CD2 3.95Å; V867-L869 PolarHBondContact O-N 3.47Å; L869-D871 PolarHBondContact O-N 3.19Å
870D60.2Low62.2Low118 Ų11895.3 Ų95.363%0.63149%0.492SS*.  trans-98.756-175.9-14938000111.3S868 P872 N875S868-D870 VanDerWaalsContact C-N 3.3Å; S868-D870 PolarHBondContact OG-N 3.04Å; D870-P872 WeakPolarHBondContact O-CD 3.37Å; D870-N875 PolarHBondContact OD1-ND2 3.4Å
871D70.1Confident62.6Low58 Ų5897.4 Ų97.431%0.3151%0.508SS..  trans-69.4118.3170.916624.6000110L869 Y873 E874 N875L869-D871 PolarHBondContact O-N 3.19Å; D871-Y873 PolarHBondContact O-N 3.22Å; D871-Y873 WeakPolarHBondContact OD1-CB 3.47Å; D871-Y873 PolarHBondContact OD1-N 2.87Å; D871-E874 HydrophobicContact CB-CB 4.07Å; D871-E874 PolarHBondContact O-N 3.3Å; D871-E874 VanDerWaalsContact OD2-CB 3.32Å; D871-E874 WeakPolarHBondContact OD2-CB 3.41Å; D871-E874 PolarHBondContact OD2-N 3.4Å; D871-N875 WeakPolarHBondContact O-CB 3.47Å; D871-N875 PolarHBondContact O-N 3.13Å
872P62.9Low63Low104 Ų104100.6 Ų100.668%0.67552%0.517SS*.Hα-helixtrans-57.6-31.1178.5-24.935.3000113.8D870 Y876D870-P872 WeakPolarHBondContact O-CD 3.37Å; P872-Y876 WeakPolarHBondContact O-CB 3.38Å; P872-Y876 PolarHBondContact O-N 2.89Å
873Y55.6Low63.6Low169 Ų16994.1 Ų94.166%0.66350%0.496SS*.Hα-helixtrans-76-48.2-178.5-173.2-96.2000111.8D871 N875 Y876 R877D871-Y873 PolarHBondContact O-N 3.22Å; D871-Y873 WeakPolarHBondContact OD1-CB 3.47Å; D871-Y873 PolarHBondContact OD1-N 2.87Å; Y873-N875 VanDerWaalsContact C-N 3.33Å; Y873-N875 PolarHBondContact O-N 3.5Å; Y873-Y876 PolarHBondContact O-N 3.05Å; Y873-R877 WeakPolarHBondContact O-CB 3.29Å; Y873-R877 PolarHBondContact O-N 3.22Å
874E67.4Low64.3Low29 Ų2994.9 Ų94.914%0.13650%0.499CS..Hα-helixtrans-57.2-44.8171.3-116.2-68.7111.200112.2D871 R877 R878D871-E874 HydrophobicContact CB-CB 4.07Å; D871-E874 PolarHBondContact O-N 3.3Å; D871-E874 VanDerWaalsContact OD2-CB 3.32Å; D871-E874 WeakPolarHBondContact OD2-CB 3.41Å; D871-E874 PolarHBondContact OD2-N 3.4Å; E874-R877 WeakPolarHBondContact O-CB 3.44Å; E874-R877 PolarHBondContact O-N 3.45Å; E874-R877 IonicContact OE1-CZ 3.8Å; E874-R877 IonicContact OE1-NE 3.77Å; E874-R877 PolarHBondContact OE1-NE 3.34Å; E874-R877 IonicContact OE1-NH2 2.58Å; E874-R877 PolarHBondContact OE1-NH2 3.49Å; E874-R878 WeakPolarHBondContact O-CB 3.29Å; E874-R878 PolarHBondContact O-N 3.5Å; E874-R878 IonicContact OE2-CZ 3.63Å; E874-R878 VanDerWaalsContact OE2-CZ 3.24Å; E874-R878 IonicContact OE2-NE 3.69Å; E874-R878 PolarHBondContact OE2-NE 3.48Å; E874-R878 IonicContact OE2-NH2 2.7Å; E874-R878 PolarHBondContact OE2-NH2 3.08Å
875N70.6Confident65.3Low48 Ų4896.5 Ų96.526%0.25750%0.5SS..Hα-helixtrans-63.8-42.6176.8-80.2-18.9000112D870 D871 Y873 R877 R878 N879D870-N875 PolarHBondContact OD1-ND2 3.4Å; D871-N875 WeakPolarHBondContact O-CB 3.47Å; D871-N875 PolarHBondContact O-N 3.13Å; Y873-N875 VanDerWaalsContact C-N 3.33Å; Y873-N875 PolarHBondContact O-N 3.5Å; N875-R877 PolarHBondContact O-N 2.92Å; N875-R878 PolarHBondContact O-N 3.21Å; N875-R878 PolarHBondContact OD1-NH1 2.69Å; N875-N879 WeakPolarHBondContact O-CB 3.38Å; N875-N879 PolarHBondContact O-N 3.06Å
876Y72.4Confident66.2Low126 Ų12691.3 Ų91.349%0.49447%0.473SS..Hα-helixtrans-60.6-43.7173.8-179-100.3000111.5P872 Y873 N879 K880P872-Y876 WeakPolarHBondContact O-CB 3.38Å; P872-Y876 PolarHBondContact O-N 2.89Å; Y873-Y876 PolarHBondContact O-N 3.05Å; Y876-N879 PolarHBondContact O-N 3.1Å; Y876-K880 HydrophobicContact CD1-CG 4.32Å; Y876-K880 HydrophobicContact CE1-CG 4.16Å; Y876-K880 HydrophobicContact CE2-CG 4.43Å; Y876-K880 WeakPolarHBondContact O-CB 3.35Å; Y876-K880 VanDerWaalsContact O-CG 3.25Å; Y876-K880 WeakPolarHBondContact O-CG 2.85Å; Y876-K880 PolarHBondContact O-N 3.35Å; Y876-K880 WeakPolarHBondContact OH-CE 3.13Å; Y876-K880 PolarHBondContact OH-NZ 3Å
877R77.1Confident67.1Low155 Ų15595.6 Ų95.659%0.58547%0.466SS*.Hα-helixtrans-62-48.6177.3-168.3177.178.5132.2-0.5111.9Y873 E874 N875 S881Y873-R877 WeakPolarHBondContact O-CB 3.29Å; Y873-R877 PolarHBondContact O-N 3.22Å; E874-R877 WeakPolarHBondContact O-CB 3.44Å; E874-R877 PolarHBondContact O-N 3.45Å; E874-R877 IonicContact OE1-CZ 3.8Å; E874-R877 IonicContact OE1-NE 3.77Å; E874-R877 PolarHBondContact OE1-NE 3.34Å; E874-R877 IonicContact OE1-NH2 2.58Å; E874-R877 PolarHBondContact OE1-NH2 3.49Å; N875-R877 PolarHBondContact O-N 2.92Å; R877-S881 PolarHBondContact O-N 2.88Å; R877-S881 PolarHBondContact O-OG 3.49Å
878R70.6Confident68.1Low100 Ų10095.2 Ų95.238%0.37746%0.46SS..Hα-helixtrans-58.9-51.4173.5-87.2-174.6-96144.3-1.6111.3E874 N875 K880 S881 Y882E874-R878 WeakPolarHBondContact O-CB 3.29Å; E874-R878 PolarHBondContact O-N 3.5Å; E874-R878 IonicContact OE2-CZ 3.63Å; E874-R878 VanDerWaalsContact OE2-CZ 3.24Å; E874-R878 IonicContact OE2-NE 3.69Å; E874-R878 PolarHBondContact OE2-NE 3.48Å; E874-R878 IonicContact OE2-NH2 2.7Å; E874-R878 PolarHBondContact OE2-NH2 3.08Å; N875-R878 PolarHBondContact O-N 3.21Å; N875-R878 PolarHBondContact OD1-NH1 2.69Å; R878-K880 PolarHBondContact O-N 3.5Å; R878-S881 PolarHBondContact O-N 3.35Å; R878-S881 PolarHBondContact O-OG 2.89Å; R878-Y882 WeakPolarHBondContact O-CB 3.39Å; R878-Y882 PolarHBondContact O-N 3.41Å
879N73.1Confident68.8Low97 Ų9797.2 Ų97.252%0.51946%0.459SS..Hα-helixtrans-57.8-44.8-179.3-172.6-0.8000112.6N875 Y876 N883N875-N879 WeakPolarHBondContact O-CB 3.38Å; N875-N879 PolarHBondContact O-N 3.06Å; Y876-N879 PolarHBondContact O-N 3.1Å; N879-N883 WeakPolarHBondContact O-CB 3.4Å; N879-N883 PolarHBondContact O-N 3.3Å; N879-N883 PolarHBondContact O-ND2 2.9Å; N879-N883 PolarHBondContact OD1-ND2 2.85Å
880K71.9Confident69.2Low113 Ų11395.9 Ų95.949%0.49146%0.461SS..Hα-helixtrans-63.5-46.7175.2-70.9-79.5-177.7155.40112.3Y876 R878 N883 F884Y876-K880 HydrophobicContact CD1-CG 4.32Å; Y876-K880 HydrophobicContact CE1-CG 4.16Å; Y876-K880 HydrophobicContact CE2-CG 4.43Å; Y876-K880 WeakPolarHBondContact O-CB 3.35Å; Y876-K880 VanDerWaalsContact O-CG 3.25Å; Y876-K880 WeakPolarHBondContact O-CG 2.85Å; Y876-K880 PolarHBondContact O-N 3.35Å; Y876-K880 WeakPolarHBondContact OH-CE 3.13Å; Y876-K880 PolarHBondContact OH-NZ 3Å; R878-K880 PolarHBondContact O-N 3.5Å; K880-N883 PolarHBondContact O-N 3.36Å; K880-F884 PolarHBondContact O-N 2.79Å
881S67.4Low69.4Low64 Ų6499.3 Ų99.345%0.44847%0.465SS..Hα-helixtrans-64.5-42.1-179.868.90000112.5R877 R878 F884 V885R877-S881 PolarHBondContact O-N 2.88Å; R877-S881 PolarHBondContact O-OG 3.49Å; R878-S881 PolarHBondContact O-N 3.35Å; R878-S881 PolarHBondContact O-OG 2.89Å; S881-F884 PolarHBondContact O-N 3.31Å; S881-V885 WeakPolarHBondContact O-CG2 3.41Å; S881-V885 PolarHBondContact O-N 3.49Å
882Y70.6Confident69.1Low172 Ų172101.6 Ų101.668%0.67547%0.474SS*.Hα-helixtrans-63.5-45.8176.3-169.8-98.9000111.5R878 F884 V885 A886R878-Y882 WeakPolarHBondContact O-CB 3.39Å; R878-Y882 PolarHBondContact O-N 3.41Å; Y882-F884 PolarHBondContact O-N 2.93Å; Y882-V885 PolarHBondContact O-N 2.87Å; Y882-A886 WeakPolarHBondContact O-CB 3.35Å; Y882-A886 PolarHBondContact O-N 3.17Å
883N68Low69.2Low69 Ų69101.1 Ų101.137%0.36946%0.463SS..Hα-helixtrans-64.9-23.6175-87.9-73.2000114.2N879 K880 R887N879-N883 WeakPolarHBondContact O-CB 3.4Å; N879-N883 PolarHBondContact O-N 3.3Å; N879-N883 PolarHBondContact O-ND2 2.9Å; N879-N883 PolarHBondContact OD1-ND2 2.85Å; K880-N883 PolarHBondContact O-N 3.36Å; N883-R887 WeakPolarHBondContact O-CB 3.01Å; N883-R887 WeakPolarHBondContact O-CG 3.06Å; N883-R887 PolarHBondContact O-N 2.91Å; N883-R887 PolarHBondContact O-NE 3.12Å
884F72.9Confident69.4Low64 Ų6494.6 Ų94.628%0.28145%0.446SS..Hα-helixtrans-76.2-47.6171-177.6-97000111.2L692 K880 S881 Y882 A886 R887 M888L692-F884 HydrophobicContact CD2-CD1 3.96Å; L692-F884 HydrophobicContact CD2-CE1 4Å; L692-F884 HydrophobicContact CD2-CG 4.35Å; L692-F884 HydrophobicContact CD2-CZ 4.42Å; K880-F884 PolarHBondContact O-N 2.79Å; S881-F884 PolarHBondContact O-N 3.31Å; Y882-F884 PolarHBondContact O-N 2.93Å; F884-A886 PolarHBondContact O-N 3.37Å; F884-R887 PolarHBondContact O-N 2.94Å; F884-M888 HydrophobicContact CD1-CG 4.07Å; F884-M888 HydrophobicContact CE1-CG 3.7Å; F884-M888 HydrophobicContact CE1-SD 4.48Å; F884-M888 HydrophobicContact CE2-CG 4.38Å; F884-M888 HydrophobicContact CZ-CG 3.87Å; F884-M888 HydrophobicContact CZ-SD 4.19Å; F884-M888 WeakPolarHBondContact O-CB 3.23Å; F884-M888 WeakPolarHBondContact O-CG 3.06Å; F884-M888 PolarHBondContact O-N 3.26Å
885V71.9Confident68.8Low76 Ų7696.2 Ų96.246%0.46146%0.461SS..Hα-helixtrans-61.5-42.3177.7172.80000111.6S881 Y882 M888 K889S881-V885 WeakPolarHBondContact O-CG2 3.41Å; S881-V885 PolarHBondContact O-N 3.49Å; Y882-V885 PolarHBondContact O-N 2.87Å; V885-M888 PolarHBondContact O-N 3.14Å; V885-K889 WeakPolarHBondContact O-CB 3.37Å; V885-K889 PolarHBondContact O-N 2.95Å
886A69.2Low67.9Low44 Ų44101.5 Ų101.536%0.36448%0.477SS..Hα-helixtrans-61-47.1176.200000112.1Y882 F884 M888 K889 A890Y882-A886 WeakPolarHBondContact O-CB 3.35Å; Y882-A886 PolarHBondContact O-N 3.17Å; F884-A886 PolarHBondContact O-N 3.37Å; A886-M888 PolarHBondContact O-N 3.12Å; A886-K889 PolarHBondContact O-N 3.14Å; A886-A890 WeakPolarHBondContact O-CB 2.89Å; A886-A890 PolarHBondContact O-N 3.2Å
887R71.2Confident66.7Low167 Ų167101.4 Ų101.463%0.6349%0.485SS*.Hα-helixtrans-65.2-37.7176.4-79.2-178.6-79.1-173.7-5.4112.9N883 F884 R891N883-R887 WeakPolarHBondContact O-CB 3.01Å; N883-R887 WeakPolarHBondContact O-CG 3.06Å; N883-R887 PolarHBondContact O-N 2.91Å; N883-R887 PolarHBondContact O-NE 3.12Å; F884-R887 PolarHBondContact O-N 2.94Å; R887-R891 WeakPolarHBondContact O-CB 3.03Å; R887-R891 PolarHBondContact O-N 3.21Å
888M70.6Confident65.4Low64 Ų6499.7 Ų99.732%0.31549%0.487SS..Hα-helixtrans-63.6-45174.2-80.3-70.1-6700112.2Y693 F884 V885 A886 R891 E892Y693-M888 HydrophobicContact CD2-CE 3.63Å; Y693-M888 HydrophobicContact CD2-SD 3.81Å; Y693-M888 HydrophobicContact CE2-CE 3.69Å; Y693-M888 HydrophobicContact CE2-SD 4.07Å; F884-M888 HydrophobicContact CD1-CG 4.07Å; F884-M888 HydrophobicContact CE1-CG 3.7Å; F884-M888 HydrophobicContact CE1-SD 4.48Å; F884-M888 HydrophobicContact CE2-CG 4.38Å; F884-M888 HydrophobicContact CZ-CG 3.87Å; F884-M888 HydrophobicContact CZ-SD 4.19Å; F884-M888 WeakPolarHBondContact O-CB 3.23Å; F884-M888 WeakPolarHBondContact O-CG 3.06Å; F884-M888 PolarHBondContact O-N 3.26Å; V885-M888 PolarHBondContact O-N 3.14Å; A886-M888 PolarHBondContact O-N 3.12Å; M888-R891 PolarHBondContact O-N 3.48Å; M888-E892 PolarHBondContact O-N 3.1Å
889K70.8Confident64.2Low117 Ų117102.9 Ų102.951%0.50950%0.504SS..Hα-helixtrans-65.1-46.9177.3-174.1-175.1165.6-168.80111.6V885 A886 R891 E892 E893V885-K889 WeakPolarHBondContact O-CB 3.37Å; V885-K889 PolarHBondContact O-N 2.95Å; A886-K889 PolarHBondContact O-N 3.14Å; K889-R891 PolarHBondContact O-N 3.25Å; K889-E892 PolarHBondContact O-N 3.03Å; K889-E892 VanDerWaalsContact O-N 3.08Å; K889-E893 VanDerWaalsContact CE-CD 3.49Å; K889-E893 WeakPolarHBondContact CE-OE1 3.3Å; K889-E893 IonicContact NZ-OE1 3.58Å; K889-E893 PolarHBondContact O-N 3.42Å
890A68.1Low63Low59 Ų59103.3 Ų103.349%0.48851%0.509SS..Hα-helixtrans-60.4-33.7176.100000112.5A886 G894A886-A890 WeakPolarHBondContact O-CB 2.89Å; A886-A890 PolarHBondContact O-N 3.2Å; A890-G894 PolarHBondContact O-N 3.14Å
891R66Low61.9Low190 Ų190102.9 Ų102.972%0.71752%0.516SS*.Hα-helixtrans-69.9-38.7173.4-164.9175.5-173.7-178.23.1112.2R887 M888 K889 S895R887-R891 WeakPolarHBondContact O-CB 3.03Å; R887-R891 PolarHBondContact O-N 3.21Å; M888-R891 PolarHBondContact O-N 3.48Å; K889-R891 PolarHBondContact O-N 3.25Å; R891-S895 WeakPolarHBondContact O-CB 3.19Å; R891-S895 PolarHBondContact O-N 3Å; R891-S895 PolarHBondContact O-OG 3.14Å; R891-S895 VanDerWaalsContact O-OG 3.12Å
892E63.6Low60.9Low107 Ų107108.3 Ų108.350%0.554%0.535SS..Hα-helixtrans-66.1-40.3173.8-170.7176.9173.100111.9M888 K889 R896M888-E892 PolarHBondContact O-N 3.1Å; K889-E892 PolarHBondContact O-N 3.03Å; K889-E892 VanDerWaalsContact O-N 3.08Å; E892-R896 WeakPolarHBondContact O-CG 3.33Å; E892-R896 PolarHBondContact O-N 2.9Å; E892-R896 VanDerWaalsContact O-N 3.1Å; E892-R896 IonicContact OE1-CZ 3.61Å; E892-R896 IonicContact OE1-NE 2.77Å; E892-R896 IonicContact OE1-NH2 2.69Å; E892-R896 PolarHBondContact OE1-NH2 2.86Å
893E64.1Low59.5Low94 Ų94110.3 Ų110.344%0.43956%0.556SS.*Hα-helixtrans-70.1-41.5177.5-71.1171.7160.300111.9K889 R896 L897K889-E893 VanDerWaalsContact CE-CD 3.49Å; K889-E893 WeakPolarHBondContact CE-OE1 3.3Å; K889-E893 IonicContact NZ-OE1 3.58Å; K889-E893 PolarHBondContact O-N 3.42Å; E893-R896 PolarHBondContact O-N 3.41Å; E893-L897 PolarHBondContact O-N 2.9Å
894G59.4Low59.1Low31 Ų31112.4 Ų112.432%0.3257%0.565SS.*Hα-helixtrans-63.4-40.8172.500000113.2A890 R896 L897 L898A890-G894 PolarHBondContact O-N 3.14Å; G894-R896 VanDerWaalsContact C-N 3.3Å; G894-R896 PolarHBondContact O-N 3.02Å; G894-L897 PolarHBondContact O-N 3.4Å; G894-L898 PolarHBondContact O-N 3.17Å; G894-L898 VanDerWaalsContact O-N 3.14Å
895S54.5Low58.3Low63 Ų63114.9 Ų114.944%0.44158%0.58SS.*Hα-helixtrans-63.2-33.3172.5-71.20000112.8R891 F899R891-S895 WeakPolarHBondContact O-CB 3.19Å; R891-S895 PolarHBondContact O-N 3Å; R891-S895 PolarHBondContact O-OG 3.14Å; R891-S895 VanDerWaalsContact O-OG 3.12Å; S895-F899 WeakPolarHBondContact O-CD2 3.21Å; S895-F899 PolarHBondContact O-N 3.47Å
896R51.9Low57.6Low159 Ų159117.1 Ų117.160%0.659%0.587SS**Hα-helixtrans-72.5-33.3174.2-71.7179.1-167.4-176.17.1113.1E892 E893 G894 V900E892-R896 WeakPolarHBondContact O-CG 3.33Å; E892-R896 PolarHBondContact O-N 2.9Å; E892-R896 VanDerWaalsContact O-N 3.1Å; E892-R896 IonicContact OE1-CZ 3.61Å; E892-R896 IonicContact OE1-NE 2.77Å; E892-R896 IonicContact OE1-NH2 2.69Å; E892-R896 PolarHBondContact OE1-NH2 2.86Å; E893-R896 PolarHBondContact O-N 3.41Å; G894-R896 VanDerWaalsContact C-N 3.3Å; G894-R896 PolarHBondContact O-N 3.02Å; R896-V900 WeakPolarHBondContact O-CG2 3.05Å
897L48.3Very low56.9Low124 Ų124121.4 Ų121.465%0.64960%0.6SS**Hα-helixtrans-67.6-43.1176.9-90.6158.9000112.4E893 G894 F899 V900 T901E893-L897 PolarHBondContact O-N 2.9Å; G894-L897 PolarHBondContact O-N 3.4Å; L897-F899 VanDerWaalsContact C-N 3.31Å; L897-F899 PolarHBondContact O-N 3.16Å; L897-V900 PolarHBondContact O-N 3.33Å; L897-T901 PolarHBondContact O-N 2.91Å
898L49.3Very low56Low120 Ų120118.5 Ų118.563%0.62860%0.598SS**Hα-helixtrans-61.4-38.7177.1-69.8169.3000112.4G894 V900 T901G894-L898 PolarHBondContact O-N 3.17Å; G894-L898 VanDerWaalsContact O-N 3.14Å; L898-V900 PolarHBondContact O-N 2.72Å; L898-V900 VanDerWaalsContact O-N 3.14Å; L898-T901 PolarHBondContact O-N 2.99Å; L898-T901 VanDerWaalsContact O-N 3.17Å; L898-T901 PolarHBondContact O-OG1 2.76Å
899F45.3Very low55Low167 Ų167122.1 Ų122.173%0.73262%0.617SS**THydrogen-bonded Turntrans-69-2.4174.3-95.9-84.4000114.9S895 L897S895-F899 WeakPolarHBondContact O-CD2 3.21Å; S895-F899 PolarHBondContact O-N 3.47Å; L897-F899 VanDerWaalsContact C-N 3.31Å; L897-F899 PolarHBondContact O-N 3.16Å
900V49Very low53.9Low106 Ų106122.5 Ų122.564%0.64262%0.624SS**THydrogen-bonded Turntrans-111.6-0.4176.2175.50000111.4R896 L897 L898R896-V900 WeakPolarHBondContact O-CG2 3.05Å; L897-V900 PolarHBondContact O-N 3.33Å; L898-V900 PolarHBondContact O-N 2.72Å; L898-V900 VanDerWaalsContact O-N 3.14Å
901T48.7Very low52.8Low103 Ų103127.4 Ų127.463%0.63264%0.635SS**SBendtrans-111.22.4176.348.60000114.4L897 L898L897-T901 PolarHBondContact O-N 2.91Å; L898-T901 PolarHBondContact O-N 2.99Å; L898-T901 VanDerWaalsContact O-N 3.17Å; L898-T901 PolarHBondContact O-OG1 2.76Å
902E44.7Very low51.7Low179 Ų179122.2 Ų122.284%0.83663%0.628SS**  trans-11830.4171.4-65.2-169.4136.500112
903L41.7Very low50.6Low213 Ų213123.5 Ų123.5100%1.11564%0.64SS**  trans-138.30171-73.6176.5000110.2

Retrieved 903 of 903 residues in 228.4 ms (Link to these results)

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