A0A5K4F0A0_SCHMA Loading...

Flap endonuclease GEN

AlphaFold DB , UniProt , Accession A0A5K4F0A0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 683 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
1M78.7Confident93.5Very high153 Ų15343.8 Ų43.875%0.75427%0.271SS*.  0142.70-47.9-59.2-82.600105.6D153M1-D153 WeakPolarHBondContact CB-OD2 3.42Å
2G89.2Confident93.6Very high4 Ų446.2 Ų46.24%0.04129%0.29CS..  trans69.8-169.7-168.600000114.7H4 D153 D155 D206G2-H4 PolarHBondContact O-N 3.21Å; G2-D153 WeakPolarHBondContact CA-OD1 3.37Å; G2-D153 PolarHBondContact N-OD1 2.97Å; G2-D153 PolarHBondContact N-OD2 3.29Å; G2-D153 VanDerWaalsContact N-OD2 3.15Å; G2-D155 WeakPolarHBondContact CA-OD1 3.38Å; G2-D155 WeakPolarHBondContact CA-OD2 3.31Å; G2-D206 PolarHBondContact N-OD1 2.87Å
3V94.5Very high93.8Very high7 Ų742.6 Ų42.64%0.04227%0.268CS..SBendtrans-51.6125.4-174.6-175.70000113.8G5 L6 D155 L158 L203 G204 C205V3-G5 PolarHBondContact O-N 3.23Å; V3-L6 HydrophobicContact CB-CB 3.73Å; V3-L6 HydrophobicContact CB-CD2 3.92Å; V3-L6 HydrophobicContact CB-CG 4.42Å; V3-L6 HydrophobicContact CG1-CB 3.82Å; V3-L6 HydrophobicContact CG2-CD2 4.14Å; V3-L6 PolarHBondContact O-N 2.91Å; V3-D155 WeakPolarHBondContact CG2-OD1 3.42Å; V3-D155 PolarHBondContact N-OD1 3.23Å; V3-L158 HydrophobicContact CG2-CD1 3.85Å; V3-L158 HydrophobicContact CG2-CD2 3.52Å; V3-L158 HydrophobicContact CG2-CG 4.36Å; V3-L203 HydrophobicContact CG1-CB 4.26Å; V3-L203 HydrophobicContact CG1-CD1 4.39Å; V3-G204 WeakPolarHBondContact CA-O 3.45Å; V3-C205 HydrophobicContact CG2-CB 4.08Å
4H94Very high94Very high101 Ų10144.9 Ų44.947%0.46827%0.274SS..THydrogen-bonded Turntrans-61.6128.1176.3-72-61.5000111.8G2 L6 L203 G204G2-H4 PolarHBondContact O-N 3.21Å; H4-L6 PolarHBondContact O-N 3.18Å; H4-L6 VanDerWaalsContact O-N 3.1Å; H4-L203 HydrophobicContact CB-CB 4.46Å; H4-L203 WeakPolarHBondContact CB-O 3.46Å; H4-L203 WeakPolarHBondContact O-CB 3.43Å; H4-L203 WeakPolarHBondContact O-CD1 3.09Å; H4-G204 PolarHBondContact CD2-O 3.38Å; H4-G204 PolarHBondContact N-O 3.1Å
5G94.1Very high94.1Very high42 Ų4245.1 Ų45.143%0.43327%0.27SS..THydrogen-bonded Turntrans72.7-6.8176.500000116.3V3 W7 G8 I9V3-G5 PolarHBondContact O-N 3.23Å; G5-W7 VanDerWaalsContact C-N 3.28Å; G5-W7 PolarHBondContact O-N 3.49Å; G5-G8 WeakPolarHBondContact O-CA 3.23Å; G5-G8 PolarHBondContact O-N 2.73Å; G5-I9 PolarHBondContact O-N 3.39Å
6L96.7Very high94.1Very high1 Ų149.6 Ų49.61%0.00528%0.282CS..Hα-helixtrans-54.1-43.2-178.4174.463.4000112.5V3 H4 G8 I9 L10 L158 L196 L199V3-L6 HydrophobicContact CB-CB 3.73Å; V3-L6 HydrophobicContact CB-CD2 3.92Å; V3-L6 HydrophobicContact CB-CG 4.42Å; V3-L6 HydrophobicContact CG1-CB 3.82Å; V3-L6 HydrophobicContact CG2-CD2 4.14Å; V3-L6 PolarHBondContact O-N 2.91Å; H4-L6 PolarHBondContact O-N 3.18Å; H4-L6 VanDerWaalsContact O-N 3.1Å; L6-G8 PolarHBondContact O-N 2.76Å; L6-I9 WeakPolarHBondContact O-CA 3.46Å; L6-I9 WeakPolarHBondContact O-CB 3.46Å; L6-I9 PolarHBondContact O-N 3.43Å; L6-L10 HydrophobicContact CD1-CD1 3.99Å; L6-L10 HydrophobicContact CD1-CD2 4.17Å; L6-L10 HydrophobicContact CD1-CG 3.88Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.16Å; L6-L158 HydrophobicContact CD2-CD1 4.08Å; L6-L196 HydrophobicContact CD1-CD2 4.14Å; L6-L199 HydrophobicContact CD1-CD1 4.33Å
7W95.9Very high93.9Very high39 Ų3951.2 Ų51.215%0.14828%0.282CS..Hα-helixtrans-63.3-23.3178.3-67.7123.7000114.7G5 L10 S11 N152 G154 F157 V164 R166 F180G5-W7 VanDerWaalsContact C-N 3.28Å; G5-W7 PolarHBondContact O-N 3.49Å; W7-L10 HydrophobicContact CE3-CD1 4.14Å; W7-L10 HydrophobicContact CZ3-CD1 4.04Å; W7-S11 PolarHBondContact O-N 3.13Å; W7-N152 PolarHBondContact NE1-O 2.78Å; W7-G154 VanDerWaalsContact CZ2-CA 3.44Å; W7-F157 HydrophobicContact CH2-CD2 4.43Å; W7-F157 HydrophobicContact CH2-CE2 4.15Å; W7-F157 HydrophobicContact CZ3-CE2 4.26Å; W7-V164 HydrophobicContact CH2-CG1 4.25Å; W7-R166 VanDerWaalsContact CD2-NH1 3.33Å; W7-R166 VanDerWaalsContact CE2-NE 3.32Å; W7-R166 VanDerWaalsContact CG-NH1 3.32Å; W7-R166 VanDerWaalsContact CH2-CD 3.45Å; W7-F180 HydrophobicContact CE3-CE1 4.25Å; W7-F180 HydrophobicContact CE3-CE2 4.4Å; W7-F180 HydrophobicContact CE3-CZ 4.07Å; W7-F180 HydrophobicContact CZ3-CD1 4.24Å; W7-F180 HydrophobicContact CZ3-CD2 4.04Å; W7-F180 HydrophobicContact CZ3-CE1 4.15Å; W7-F180 AromaticContact CZ3-CE2 3.97Å; W7-F180 HydrophobicContact CZ3-CE2 3.97Å; W7-F180 HydrophobicContact CZ3-CG 4.18Å; W7-F180 HydrophobicContact CZ3-CZ 4.02Å
8G95.7Very high93.6Very high51 Ų5151.2 Ų51.253%0.52629%0.285SS..Hα-helixtrans-72.2-41.617000000111.7G5 L6 S11G5-G8 WeakPolarHBondContact O-CA 3.23Å; G5-G8 PolarHBondContact O-N 2.73Å; L6-G8 PolarHBondContact O-N 2.76Å; G8-S11 WeakPolarHBondContact O-CB 3.49Å; G8-S11 PolarHBondContact O-N 2.81Å; G8-S11 PolarHBondContact O-OG 3.16Å
9I96.6Very high93.2Very high15 Ų1548.8 Ų48.88%0.07727%0.272CS..Hα-helixtrans-60.2-46174.3-61.1174.8000110.8G5 L6 S11 L189 L191 L199 L203 P217 L221G5-I9 PolarHBondContact O-N 3.39Å; L6-I9 WeakPolarHBondContact O-CA 3.46Å; L6-I9 WeakPolarHBondContact O-CB 3.46Å; L6-I9 PolarHBondContact O-N 3.43Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.07Å; I9-L189 HydrophobicContact CG2-CD1 4.26Å; I9-L191 HydrophobicContact CG2-CD1 4.02Å; I9-L199 HydrophobicContact CD1-CD1 3.92Å; I9-L199 HydrophobicContact CD1-CD2 4.14Å; I9-L203 HydrophobicContact CD1-CD1 3.94Å; I9-P217 HydrophobicContact CD1-CB 3.99Å; I9-P217 HydrophobicContact CG1-CB 3.79Å; I9-L221 HydrophobicContact CD1-CD1 4.32Å; I9-L221 HydrophobicContact CD1-CD2 4.33Å; I9-L221 HydrophobicContact CD1-CG 4.17Å; I9-L221 HydrophobicContact CG1-CD1 4.13Å; I9-L221 HydrophobicContact CG2-CD1 4.02Å; I9-L221 HydrophobicContact CG2-CD2 4.02Å; I9-L221 HydrophobicContact CG2-CG 4.47Å
10L97.2Very high92.6Very high0 Ų049.1 Ų49.10%028%0.277CS..G310 helixtrans-77.9-5.2-176.1-57.1-173.6000114.2L6 W7 S12 V13 F157 F180 I185 L189L6-L10 HydrophobicContact CD1-CD1 3.99Å; L6-L10 HydrophobicContact CD1-CD2 4.17Å; L6-L10 HydrophobicContact CD1-CG 3.88Å; L6-L10 HydrophobicContact CD2-CD1 4.43Å; L6-L10 HydrophobicContact CG-CD1 3.95Å; L6-L10 HydrophobicContact CG-CG 4.17Å; L6-L10 WeakPolarHBondContact O-CG 3.39Å; L6-L10 PolarHBondContact O-N 3.16Å; W7-L10 HydrophobicContact CE3-CD1 4.14Å; W7-L10 HydrophobicContact CZ3-CD1 4.04Å; L10-S12 PolarHBondContact O-N 3.29Å; L10-S12 VanDerWaalsContact O-N 3.15Å; L10-V13 HydrophobicContact CB-CG2 4.37Å; L10-V13 WeakPolarHBondContact O-CG2 3.34Å; L10-V13 PolarHBondContact O-N 3.05Å; L10-V13 VanDerWaalsContact O-N 3.11Å; L10-F157 HydrophobicContact CD1-CD2 4.14Å; L10-F157 HydrophobicContact CD1-CE2 4.2Å; L10-F180 HydrophobicContact CB-CD1 4.12Å; L10-F180 HydrophobicContact CB-CE1 3.93Å; L10-F180 WeakPolarHBondContact O-CE1 3.37Å; L10-I185 HydrophobicContact CD1-CD1 3.97Å; L10-I185 HydrophobicContact CD2-CD1 3.92Å; L10-I185 HydrophobicContact CD2-CG1 3.99Å; L10-I185 HydrophobicContact CD2-CG2 4.03Å; L10-L189 HydrophobicContact CD2-CD1 3.82Å
11S95.6Very high92.2Very high69 Ų6950 Ų5048%0.48328%0.278SS..G310 helixtrans-56.1-33.7-174.160.50000114.3W7 G8 I9 V13 Q14W7-S11 PolarHBondContact O-N 3.13Å; G8-S11 WeakPolarHBondContact O-CB 3.49Å; G8-S11 PolarHBondContact O-N 2.81Å; G8-S11 PolarHBondContact O-OG 3.16Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 3.07Å; S11-V13 VanDerWaalsContact C-N 3.32Å; S11-V13 PolarHBondContact O-N 3.27Å; S11-Q14 VanDerWaalsContact O-CB 3.29Å; S11-Q14 WeakPolarHBondContact O-CB 3.47Å; S11-Q14 PolarHBondContact O-N 3.39Å
12S95Very high92.4Very high72 Ų7242.8 Ų42.850%0.50324%0.243SC..G310 helixtrans-72.5-18.8-179.257.70000114.7L10L10-S12 PolarHBondContact O-N 3.29Å; L10-S12 VanDerWaalsContact O-N 3.15Å
13V96.6Very high92.1Very high0 Ų043.2 Ų43.20%025%0.247CC..G310 helixtrans-103.21.5177-60.60000113.2L10 S11 F180 R184 I185 V188 L189L10-V13 HydrophobicContact CB-CG2 4.37Å; L10-V13 WeakPolarHBondContact O-CG2 3.34Å; L10-V13 PolarHBondContact O-N 3.05Å; L10-V13 VanDerWaalsContact O-N 3.11Å; S11-V13 VanDerWaalsContact C-N 3.32Å; S11-V13 PolarHBondContact O-N 3.27Å; V13-F180 HydrophobicContact CG2-CD1 4.3Å; V13-R184 HydrophobicContact CB-CB 4.22Å; V13-R184 HydrophobicContact CG1-CB 4.36Å; V13-I185 HydrophobicContact CG2-CG1 3.94Å; V13-V188 HydrophobicContact CG1-CB 3.66Å; V13-V188 HydrophobicContact CG1-CG1 3.88Å; V13-V188 HydrophobicContact CG1-CG2 4.09Å; V13-L189 HydrophobicContact CG1-CD1 4.26Å; V13-L189 HydrophobicContact CG1-CG 4.16Å; V13-L189 HydrophobicContact CG2-CD1 4.37Å
14Q96.1Very high91.6Very high75 Ų7547.3 Ų47.335%0.3528%0.275SS..  trans-65.1132178.5-176.3175.3-37.400111.9S11 C178 F180S11-Q14 VanDerWaalsContact O-CB 3.29Å; S11-Q14 WeakPolarHBondContact O-CB 3.47Å; S11-Q14 PolarHBondContact O-N 3.39Å; Q14-C178 HydrophobicContact CG-CB 4.03Å; Q14-C178 PolarHBondContact NE2-SG 3.31Å; Q14-F180 HydrophobicContact CB-CD1 4.4Å; Q14-F180 HydrophobicContact CB-CE1 3.62Å; Q14-F180 HydrophobicContact CB-CE2 4.46Å; Q14-F180 HydrophobicContact CB-CZ 3.66Å; Q14-F180 HydrophobicContact CG-CE1 4.02Å; Q14-F180 HydrophobicContact CG-CE2 3.96Å; Q14-F180 HydrophobicContact CG-CZ 3.51Å
15E95.5Very high91.5Very high47 Ų4744.2 Ų44.222%0.2226%0.262CS..EExtended strand (participates in β ladder)trans-112.3117.7171.2-69.3-179.6-152.700111R17 C178 V179 H181 R184E15-R17 IonicContact OE2-CZ 3.42Å; E15-R17 IonicContact OE2-NE 3.42Å; E15-R17 PolarHBondContact OE2-NE 3.16Å; E15-R17 VanDerWaalsContact OE2-NE 3.15Å; E15-R17 IonicContact OE2-NH2 2.69Å; E15-R17 PolarHBondContact OE2-NH2 3.42Å; E15-C178 CarbonylContact O-C 3.52Å; E15-C178 WeakPolarHBondContact O-CA 3.35Å; E15-V179 HydrophobicContact CB-CB 4.22Å; E15-V179 PolarHBondContact N-O 2.71Å; E15-V179 PolarHBondContact O-N 2.8Å; E15-H181 IonicContact OE1-CD2 2.71Å; E15-R184 WeakPolarHBondContact OE1-CD 3.03Å; E15-R184 IonicContact OE1-CZ 3.3Å; E15-R184 IonicContact OE1-NE 3.58Å; E15-R184 IonicContact OE1-NH1 2.71Å; E15-R184 PolarHBondContact OE1-NH1 3.01Å
16Y94.1Very high91.5Very high118 Ų11843.4 Ų43.446%0.46325%0.249SC..EExtended strand (participates in β ladder)trans-77.7123.5170.3175.3-83.2000110.1P18 D174 S176Y16-P18 HydrophobicContact CE1-CG 4.39Å; Y16-D174 PolarHBondContact OH-OD1 3.32Å; Y16-D174 PolarHBondContact OH-OD2 3.33Å; Y16-S176 VanDerWaalsContact CE2-CB 3.41Å; Y16-S176 WeakPolarHBondContact CE2-OG 3.36Å; Y16-S176 WeakPolarHBondContact OH-CB 3.44Å
17R91.1Very high91.5Very high76 Ų7643.3 Ų43.329%0.28725%0.249SC..EExtended strand (participates in β ladder)trans-130.6129.4177.3-62.1-164.7-175.1175.63.3111.6E15 S176 V177 V179 H181E15-R17 IonicContact OE2-CZ 3.42Å; E15-R17 IonicContact OE2-NE 3.42Å; E15-R17 PolarHBondContact OE2-NE 3.16Å; E15-R17 VanDerWaalsContact OE2-NE 3.15Å; E15-R17 IonicContact OE2-NH2 2.69Å; E15-R17 PolarHBondContact OE2-NH2 3.42Å; R17-S176 CarbonylContact O-C 3.55Å; R17-S176 WeakPolarHBondContact O-CA 3.43Å; R17-V177 HydrophobicContact CB-CG1 4.45Å; R17-V177 PolarHBondContact N-O 2.9Å; R17-V177 PolarHBondContact O-N 2.79Å; R17-V179 HydrophobicContact CB-CG2 4.22Å; R17-V179 HydrophobicContact CG-CG2 3.99Å; R17-H181 PolarHBondContact NH2-NE2 3.36Å
18P88.4Confident91.6Very high52 Ų5241.5 Ų41.534%0.33824%0.242SC..EExtended strand (participates in β ladder)trans-61.9149.1167.6-22.333.7000111.6Y16 S20 K21Y16-P18 HydrophobicContact CE1-CG 4.39Å; P18-S20 PolarHBondContact O-N 2.93Å; P18-S20 VanDerWaalsContact O-N 3.07Å; P18-K21 WeakPolarHBondContact O-CB 3.12Å; P18-K21 PolarHBondContact O-N 3.19Å
19L85.4Confident91.7Very high5 Ų539.2 Ų39.23%0.02622%0.218CC..G310 helixtrans-60.7-24.5-177.8-62.9-163.8000113.6K21 I22 Q62 F168 S175 V177L19-K21 PolarHBondContact O-N 3.46Å; L19-I22 HydrophobicContact CD2-CD1 3.93Å; L19-I22 VanDerWaalsContact O-CG1 3.24Å; L19-I22 WeakPolarHBondContact O-CG1 3.12Å; L19-I22 PolarHBondContact O-N 3.37Å; L19-Q62 HydrophobicContact CB-CG 4.14Å; L19-F168 HydrophobicContact CD1-CD2 4.48Å; L19-F168 HydrophobicContact CD1-CE2 3.55Å; L19-F168 HydrophobicContact CD1-CZ 3.61Å; L19-F168 HydrophobicContact CD2-CD2 3.9Å; L19-F168 HydrophobicContact CD2-CE2 3.57Å; L19-F168 HydrophobicContact CD2-CZ 4.46Å; L19-F168 HydrophobicContact CG-CE2 4.24Å; L19-S175 VanDerWaalsContact CD1-OG 3.24Å; L19-S175 WeakPolarHBondContact CD1-OG 3.27Å; L19-S175 WeakPolarHBondContact CG-OG 3.43Å; L19-S175 PolarHBondContact N-O 2.92Å; L19-V177 HydrophobicContact CD2-CB 3.98Å; L19-V177 HydrophobicContact CD2-CG1 4.17Å
20S80.8Confident91.7Very high55 Ų5538.5 Ų38.539%0.38521%0.214SC..G310 helixtrans-69.3-6.1173.9600000114.6P18P18-S20 PolarHBondContact O-N 2.93Å; P18-S20 VanDerWaalsContact O-N 3.07Å
21K84.6Confident91.6Very high69 Ų6938.6 Ų38.630%0.322%0.215SC..G310 helixtrans-95.9-26.4176.7-69-60.5-172.2-177.10114.3P18 L19 G23 P670 R676P18-K21 WeakPolarHBondContact O-CB 3.12Å; P18-K21 PolarHBondContact O-N 3.19Å; L19-K21 PolarHBondContact O-N 3.46Å; K21-G23 VanDerWaalsContact C-N 3.3Å; K21-P670 PolarHBondContact NZ-O 3.04Å; K21-R676 PolarHBondContact O-NH1 3.14Å; K21-R676 PolarHBondContact O-NH2 3.49Å
22I83.7Confident91.4Very high1 Ų136 Ų361%0.00520%0.196CC..SBendtrans-89.913.517666.5161000113.4L19 D25 T64 Y165 V177L19-I22 HydrophobicContact CD2-CD1 3.93Å; L19-I22 VanDerWaalsContact O-CG1 3.24Å; L19-I22 WeakPolarHBondContact O-CG1 3.12Å; L19-I22 PolarHBondContact O-N 3.37Å; I22-D25 VanDerWaalsContact CA-OD2 3.22Å; I22-D25 WeakPolarHBondContact CA-OD2 3.42Å; I22-D25 VanDerWaalsContact CB-OD2 3.27Å; I22-D25 WeakPolarHBondContact CB-OD2 3.35Å; I22-D25 WeakPolarHBondContact O-CB 3.48Å; I22-D25 PolarHBondContact O-N 3Å; I22-D25 VanDerWaalsContact O-OD2 3.09Å; I22-T64 HydrophobicContact CD1-CG2 4.48Å; I22-T64 PolarHBondContact O-OG1 3.08Å; I22-Y165 HydrophobicContact CB-CE2 4Å; I22-Y165 HydrophobicContact CD1-CD2 4.21Å; I22-Y165 HydrophobicContact CD1-CE2 3.95Å; I22-Y165 HydrophobicContact CG2-CE2 3.83Å; I22-V177 HydrophobicContact CD1-CG1 4.25Å; I22-V177 HydrophobicContact CG2-CG1 4.08Å
23G81.7Confident91.3Very high12 Ų1234.1 Ų34.112%0.12418%0.18CC..THydrogen-bonded Turntrans-70.2139.5178.400000111.6K21 Q62K21-G23 VanDerWaalsContact C-N 3.3Å; G23-Q62 WeakPolarHBondContact CA-O 3.38Å
24C85.2Confident91Very high94 Ų9435 Ų3564%0.63518%0.184SC*.THydrogen-bonded Turntrans86.1-8.8-168.5-43.70000115.6N63C24-N63 WeakPolarHBondContact CA-O 3.3Å; C24-N63 PolarHBondContact N-O 2.83Å; C24-N63 PolarHBondContact SG-ND2 3.12Å
25D91Very high90.8Very high36 Ų3631.5 Ų31.519%0.19317%0.168CC..  trans-73140.3178.6-56.1-17.6000111.5I22 V27 T64 L65 D147 Y165I22-D25 VanDerWaalsContact CA-OD2 3.22Å; I22-D25 WeakPolarHBondContact CA-OD2 3.42Å; I22-D25 VanDerWaalsContact CB-OD2 3.27Å; I22-D25 WeakPolarHBondContact CB-OD2 3.35Å; I22-D25 WeakPolarHBondContact O-CB 3.48Å; I22-D25 PolarHBondContact O-N 3Å; I22-D25 VanDerWaalsContact O-OD2 3.09Å; D25-V27 HydrophobicContact CB-CG1 4.16Å; D25-T64 HydrophobicContact CB-CG2 4.41Å; D25-T64 CarbonylContact O-C 3.07Å; D25-T64 VanDerWaalsContact O-CA 3.27Å; D25-T64 WeakPolarHBondContact O-CA 3.46Å; D25-T64 VanDerWaalsContact O-CG2 3.27Å; D25-T64 WeakPolarHBondContact O-CG2 3.38Å; D25-L65 PolarHBondContact O-N 3.05Å; D25-D147 HydrophobicContact CB-CB 4.2Å; D25-Y165 PolarHBondContact OD2-OH 3.3Å
26S94.8Very high90.4Very high24 Ų2432.5 Ų32.517%0.16818%0.179CC..EExtended strand (participates in β ladder)trans-89.5131.2163.760.90000109.5L65 V146 D147 A148S26-L65 WeakPolarHBondContact CA-O 3.33Å; S26-V146 WeakPolarHBondContact OG-CA 3.26Å; S26-D147 WeakPolarHBondContact CB-OD2 3.43Å; S26-D147 PolarHBondContact N-OD2 3.03Å; S26-D147 WeakPolarHBondContact O-CB 3.3Å; S26-D147 PolarHBondContact O-N 2.92Å; S26-D147 PolarHBondContact OG-N 2.9Å; S26-D147 PolarHBondContact OG-OD2 3.47Å; S26-A148 PolarHBondContact O-N 3.26Å
27V96.5Very high90Very high0 Ų028.3 Ų28.30%017%0.172CC..EExtended strand (participates in β ladder)trans-134.1124.6-169.4-61.20000113D25 V29 T64 L65 P66 I67 A148 I150 Y165D25-V27 HydrophobicContact CB-CG1 4.16Å; V27-V29 HydrophobicContact CG2-CG2 4.32Å; V27-V29 PolarHBondContact O-N 2.96Å; V27-T64 HydrophobicContact CB-CG2 4.45Å; V27-T64 HydrophobicContact CG1-CG2 3.79Å; V27-T64 HydrophobicContact CG2-CG2 3.74Å; V27-L65 PolarHBondContact N-O 2.81Å; V27-P66 HydrophobicContact CG2-CB 4.29Å; V27-P66 CarbonylContact O-C 3.47Å; V27-P66 VanDerWaalsContact O-CA 3.32Å; V27-P66 WeakPolarHBondContact O-CA 3.5Å; V27-I67 PolarHBondContact O-N 2.81Å; V27-A148 CarbonylContact C-O 3.57Å; V27-A148 VanDerWaalsContact CA-O 3.28Å; V27-A148 WeakPolarHBondContact CA-O 3.36Å; V27-A148 HydrophobicContact CG1-CB 4.28Å; V27-I150 HydrophobicContact CB-CD1 4.02Å; V27-I150 HydrophobicContact CB-CG1 4.16Å; V27-I150 HydrophobicContact CG1-CD1 4.45Å; V27-I150 HydrophobicContact CG2-CD1 3.62Å; V27-I150 HydrophobicContact CG2-CG1 4.3Å; V27-Y165 HydrophobicContact CG1-CD2 4.23Å; V27-Y165 HydrophobicContact CG1-CE2 4.08Å
28A98Very high89.8Confident0 Ų024.9 Ų24.90%016%0.159CC..EExtended strand (participates in β ladder)trans-75.6123.7168.700000109.5I67 V69 C137 L140 V146 A148 C149 I150A28-I67 CarbonylContact C-O 3.32Å; A28-I67 WeakPolarHBondContact CA-O 3.37Å; A28-I67 HydrophobicContact CB-CG2 4.16Å; A28-V69 HydrophobicContact CB-CG2 4.17Å; A28-C137 HydrophobicContact CB-CB 4.1Å; A28-L140 HydrophobicContact CB-CD1 4.03Å; A28-V146 HydrophobicContact CB-CG1 4.35Å; A28-V146 HydrophobicContact CB-CG2 3.88Å; A28-A148 PolarHBondContact N-O 2.96Å; A28-C149 CarbonylContact O-C 3.56Å; A28-C149 WeakPolarHBondContact O-CA 3.48Å; A28-I150 PolarHBondContact O-N 2.99Å
29V97.4Very high89.4Confident3 Ų326.6 Ų26.62%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-106.2120.1-179.7176.80000109.2V27 L31 W34 P66 I67 V69 I150V27-V29 HydrophobicContact CG2-CG2 4.32Å; V27-V29 PolarHBondContact O-N 2.96Å; V29-L31 PolarHBondContact O-N 3.36Å; V29-L31 VanDerWaalsContact O-N 3.08Å; V29-W34 HydrophobicContact CG1-CD2 3.79Å; V29-W34 HydrophobicContact CG1-CE3 3.8Å; V29-W34 HydrophobicContact CG1-CH2 3.62Å; V29-W34 HydrophobicContact CG1-CZ2 3.6Å; V29-W34 HydrophobicContact CG1-CZ3 3.72Å; V29-W34 HydrophobicContact CG2-CH2 4.22Å; V29-W34 HydrophobicContact CG2-CZ2 4.45Å; V29-P66 HydrophobicContact CG2-CB 3.79Å; V29-I67 PolarHBondContact N-O 2.87Å; V29-V69 PolarHBondContact O-N 3.19Å; V29-I150 HydrophobicContact CG2-CB 4.29Å; V29-I150 HydrophobicContact CG2-CD1 4.17Å
30D96.7Very high88.8Confident0 Ų031 Ų310%019%0.193CC..EExtended strand (participates in β ladder)trans-67.3105.4165.8-173.1-41.6000109.7S32 I33 I150D30-S32 PolarHBondContact OD1-N 3.13Å; D30-S32 PolarHBondContact OD1-OG 3.42Å; D30-S32 VanDerWaalsContact OD1-OG 3.12Å; D30-I33 HydrophobicContact CB-CB 4.34Å; D30-I33 HydrophobicContact CB-CD1 4.04Å; D30-I33 HydrophobicContact CB-CG1 4.38Å; D30-I33 VanDerWaalsContact CG-CD1 3.45Å; D30-I33 WeakPolarHBondContact OD1-CG1 3.2Å; D30-I33 PolarHBondContact OD1-N 2.78Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.38Å; D30-I33 WeakPolarHBondContact OD2-CG1 3.38Å; D30-I150 PolarHBondContact N-O 3.32Å; D30-I150 VanDerWaalsContact N-O 3.16Å
31L95.9Very high88.5Confident3 Ų332.3 Ų32.32%0.01619%0.194CC..Hα-helixtrans-77.8-26.6-176.8-171.162.7000112V29 W34 I35 L52 A68 V69 L70 C115 L119V29-L31 PolarHBondContact O-N 3.36Å; V29-L31 VanDerWaalsContact O-N 3.08Å; L31-W34 PolarHBondContact O-N 3.39Å; L31-I35 HydrophobicContact CD2-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 HydrophobicContact CG-CG1 4.4Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.3Å; L31-L52 HydrophobicContact CD1-CD1 4.06Å; L31-L52 HydrophobicContact CD1-CD2 4.14Å; L31-A68 HydrophobicContact CD2-CB 4.36Å; L31-V69 VanDerWaalsContact CB-O 3.29Å; L31-V69 WeakPolarHBondContact CB-O 3.15Å; L31-V69 PolarHBondContact N-O 3.49Å; L31-L70 HydrophobicContact CD2-CD1 4.42Å; L31-L70 HydrophobicContact CD2-CD2 3.99Å; L31-L70 HydrophobicContact CD2-CG 3.97Å; L31-C115 HydrophobicContact CD1-CB 4.47Å; L31-C115 HydrophobicContact CD2-CB 3.98Å; L31-L119 HydrophobicContact CD2-CD1 4.02Å
32S91.9Very high87.5Confident13 Ų1331.8 Ų31.89%0.09120%0.197CC..Hα-helixtrans-74.5-39.3-176.282.70000111.1D30 W34 I35 C36 D71D30-S32 PolarHBondContact OD1-N 3.13Å; D30-S32 PolarHBondContact OD1-OG 3.42Å; D30-S32 VanDerWaalsContact OD1-OG 3.12Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 2.86Å; S32-I35 PolarHBondContact O-N 3.38Å; S32-C36 VanDerWaalsContact O-CB 3.25Å; S32-C36 WeakPolarHBondContact O-CB 3.21Å; S32-C36 PolarHBondContact O-N 2.98Å; S32-C36 PolarHBondContact O-SG 3.04Å; S32-D71 WeakPolarHBondContact CB-OD2 3.05Å; S32-D71 PolarHBondContact OG-OD2 3.37Å
33I91.1Very high86.7Confident33 Ų3338.1 Ų38.117%0.16924%0.238CC..Hα-helixtrans-59.5-43.9172.3-71174.8000110.9D30 G37 T151 N152 D153D30-I33 HydrophobicContact CB-CB 4.34Å; D30-I33 HydrophobicContact CB-CD1 4.04Å; D30-I33 HydrophobicContact CB-CG1 4.38Å; D30-I33 VanDerWaalsContact CG-CD1 3.45Å; D30-I33 WeakPolarHBondContact OD1-CG1 3.2Å; D30-I33 PolarHBondContact OD1-N 2.78Å; D30-I33 WeakPolarHBondContact OD2-CD1 3.38Å; D30-I33 WeakPolarHBondContact OD2-CG1 3.38Å; I33-G37 PolarHBondContact O-N 2.84Å; I33-T151 WeakPolarHBondContact CD1-OG1 3.22Å; I33-N152 HydrophobicContact CG2-CB 4.31Å; I33-D153 HydrophobicContact CD1-CB 3.68Å
34W92.3Very high86.2Confident18 Ų1842.1 Ų42.17%0.06826%0.256CS..Hα-helixtrans-62.7-50.1176.3-78.816.7000111.6V29 L31 S32 C36 G37 D38 L52 R55 L59 I150 F168V29-W34 HydrophobicContact CG1-CD2 3.79Å; V29-W34 HydrophobicContact CG1-CE3 3.8Å; V29-W34 HydrophobicContact CG1-CH2 3.62Å; V29-W34 HydrophobicContact CG1-CZ2 3.6Å; V29-W34 HydrophobicContact CG1-CZ3 3.72Å; V29-W34 HydrophobicContact CG2-CH2 4.22Å; V29-W34 HydrophobicContact CG2-CZ2 4.45Å; L31-W34 PolarHBondContact O-N 3.39Å; S32-W34 VanDerWaalsContact C-N 3.33Å; S32-W34 PolarHBondContact O-N 2.86Å; W34-C36 VanDerWaalsContact C-N 3.34Å; W34-C36 PolarHBondContact O-N 2.9Å; W34-G37 PolarHBondContact O-N 2.98Å; W34-D38 WeakPolarHBondContact O-CB 3.46Å; W34-D38 PolarHBondContact O-N 3.23Å; W34-D38 VanDerWaalsContact O-OD2 3.11Å; W34-L52 HydrophobicContact CE3-CD1 3.94Å; W34-L52 HydrophobicContact CZ3-CD1 3.89Å; W34-R55 HydrophobicContact CE3-CB 4.31Å; W34-R55 HydrophobicContact CE3-CG 4.5Å; W34-R55 HydrophobicContact CH2-CB 3.62Å; W34-R55 HydrophobicContact CH2-CG 4.08Å; W34-R55 HydrophobicContact CZ2-CB 4.48Å; W34-R55 HydrophobicContact CZ2-CG 4.49Å; W34-R55 HydrophobicContact CZ3-CB 3.52Å; W34-R55 VanDerWaalsContact CZ3-CD 3.4Å; W34-R55 HydrophobicContact CZ3-CG 4.08Å; W34-L59 HydrophobicContact CH2-CD1 4.16Å; W34-I150 HydrophobicContact CZ2-CG2 3.95Å; W34-F168 HydrophobicContact CZ2-CD1 4.19Å
35I91.2Very high85.8Confident3 Ų343.3 Ų43.32%0.01526%0.262CS..Hα-helixtrans-59.6-43.7178.4-69.8166.3000111.6L31 S32 K39 F108 V111 C115L31-I35 HydrophobicContact CD2-CD1 4.35Å; L31-I35 HydrophobicContact CG-CD1 3.87Å; L31-I35 HydrophobicContact CG-CG1 4.4Å; L31-I35 VanDerWaalsContact O-CG1 3.26Å; L31-I35 WeakPolarHBondContact O-CG1 3.49Å; L31-I35 PolarHBondContact O-N 3.3Å; S32-I35 PolarHBondContact O-N 3.38Å; I35-K39 HydrophobicContact CG2-CD 4.02Å; I35-K39 VanDerWaalsContact CG2-NZ 3.34Å; I35-K39 WeakPolarHBondContact O-CB 3.4Å; I35-K39 WeakPolarHBondContact O-CD 3.4Å; I35-K39 VanDerWaalsContact O-CG 3.27Å; I35-K39 WeakPolarHBondContact O-CG 3.12Å; I35-K39 PolarHBondContact O-N 3.09Å; I35-F108 HydrophobicContact CB-CE2 4.23Å; I35-F108 HydrophobicContact CB-CZ 4.46Å; I35-F108 HydrophobicContact CG2-CD2 4.23Å; I35-F108 HydrophobicContact CG2-CE2 3.58Å; I35-F108 HydrophobicContact CG2-CZ 4.19Å; I35-V111 HydrophobicContact CD1-CG1 4.33Å; I35-V111 HydrophobicContact CG1-CG1 4.39Å; I35-V111 HydrophobicContact CG2-CG1 3.66Å; I35-C115 HydrophobicContact CD1-CB 4.37Å
36C87.9Confident85.5Confident68 Ų6842.5 Ų42.546%0.45926%0.261SS..Hα-helixtrans-69.8-43.8-179-75.10000112.2S32 W34 K39 S40S32-C36 VanDerWaalsContact O-CB 3.25Å; S32-C36 WeakPolarHBondContact O-CB 3.21Å; S32-C36 PolarHBondContact O-N 2.98Å; S32-C36 PolarHBondContact O-SG 3.04Å; W34-C36 VanDerWaalsContact C-N 3.34Å; W34-C36 PolarHBondContact O-N 2.9Å; C36-K39 PolarHBondContact O-N 3.49Å; C36-S40 PolarHBondContact O-N 3.42Å
37G85.4Confident85.3Confident30 Ų3042.2 Ų42.231%0.30926%0.257SS..Hα-helixtrans-62-45.8176.400000112.2I33 W34 K39 S40 I41I33-G37 PolarHBondContact O-N 2.84Å; W34-G37 PolarHBondContact O-N 2.98Å; G37-K39 VanDerWaalsContact C-N 3.28Å; G37-K39 PolarHBondContact O-N 3.36Å; G37-S40 PolarHBondContact O-N 2.81Å; G37-S40 PolarHBondContact O-OG 3.27Å; G37-I41 WeakPolarHBondContact O-CD1 3.38Å; G37-I41 WeakPolarHBondContact O-CG1 3.42Å
38D85.5Confident85.1Confident4 Ų443.1 Ų43.12%0.02126%0.261CS..Hα-helixtrans-66.2-31179.4-65.7-32.9000112.6W34 H48 N51 R55W34-D38 WeakPolarHBondContact O-CB 3.46Å; W34-D38 PolarHBondContact O-N 3.23Å; W34-D38 VanDerWaalsContact O-OD2 3.11Å; D38-H48 HydrophobicContact CB-CB 3.87Å; D38-N51 PolarHBondContact OD1-ND2 2.65Å; D38-N51 WeakPolarHBondContact OD2-CB 3.47Å; D38-R55 IonicContact OD1-CZ 3.49Å; D38-R55 IonicContact OD1-NH1 3.94Å; D38-R55 PolarHBondContact OD1-NH1 2.88Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.13Å; D38-R55 IonicContact OD2-CZ 3.45Å; D38-R55 IonicContact OD2-NH1 3.94Å; D38-R55 PolarHBondContact OD2-NH1 3.32Å; D38-R55 IonicContact OD2-NH2 2.69Å; D38-R55 PolarHBondContact OD2-NH2 2.98Å
39K80.7Confident84.9Confident88 Ų8843.1 Ų43.138%0.38326%0.261SS..Hα-helixtrans-74.5-20.2176-78.3173179.8167.70114.3I35 C36 G37I35-K39 HydrophobicContact CG2-CD 4.02Å; I35-K39 VanDerWaalsContact CG2-NZ 3.34Å; I35-K39 WeakPolarHBondContact O-CB 3.4Å; I35-K39 WeakPolarHBondContact O-CD 3.4Å; I35-K39 VanDerWaalsContact O-CG 3.27Å; I35-K39 WeakPolarHBondContact O-CG 3.12Å; I35-K39 PolarHBondContact O-N 3.09Å; C36-K39 PolarHBondContact O-N 3.49Å; G37-K39 VanDerWaalsContact C-N 3.28Å; G37-K39 PolarHBondContact O-N 3.36Å
40S73.3Confident84.8Confident98 Ų9848.5 Ų48.569%0.68528%0.281SS*.Hα-helixtrans-85.6-19.9-179.568.60000113.7C36 G37C36-S40 PolarHBondContact O-N 3.42Å; G37-S40 PolarHBondContact O-N 2.81Å; G37-S40 PolarHBondContact O-OG 3.27Å
41I73.3Confident84.7Confident81 Ų8150.4 Ų50.442%0.41529%0.292SS..Hα-helixtrans-79.9-47.6-169-68.7161.4000113.2G37G37-I41 WeakPolarHBondContact O-CD1 3.38Å; G37-I41 WeakPolarHBondContact O-CG1 3.42Å
42T63.7Low84.7Confident59 Ų5950.4 Ų50.436%0.36229%0.292SS..  trans-152.4158.2-177.145.70000112.8L44 L47T42-L44 PolarHBondContact O-N 3.3Å; T42-L47 VanDerWaalsContact OG1-CD2 3.3Å; T42-L47 WeakPolarHBondContact OG1-CD2 3.49Å
43P68.1Low84.9Confident133 Ų13349.8 Ų49.886%0.86429%0.288SS*.  trans-73.816174.133.5-38.4000114
44L71.3Confident85Confident97 Ų9750.4 Ų50.451%0.50829%0.289SS..  trans-65.2124.1179.9-75.3174.8000110.1T42 A46 L47T42-L44 PolarHBondContact O-N 3.3Å; L44-A46 PolarHBondContact O-N 2.54Å; L44-L47 HydrophobicContact CB-CB 4.2Å; L44-L47 PolarHBondContact O-N 3.4Å
45P75.5Confident85.1Confident118 Ų11851.7 Ų51.777%0.76629%0.294SS*.THydrogen-bonded Turntrans-60.4138178.925.7-33.6000110L47P45-L47 PolarHBondContact O-N 2.92Å; P45-L47 VanDerWaalsContact O-N 3.08Å
46A85.4Confident85.3Confident19 Ų1951.6 Ų51.616%0.15729%0.293CS..THydrogen-bonded Turntrans54.724.3176.600000116.4L44 H48 L49 R50 H328 L329L44-A46 PolarHBondContact O-N 2.54Å; A46-H48 PolarHBondContact O-N 2.89Å; A46-H48 VanDerWaalsContact O-N 3.13Å; A46-L49 HydrophobicContact CB-CB 4.41Å; A46-L49 HydrophobicContact CB-CD1 4.2Å; A46-L49 PolarHBondContact O-N 2.9Å; A46-R50 PolarHBondContact O-N 3.49Å; A46-R50 VanDerWaalsContact O-N 3.08Å; A46-H328 WeakPolarHBondContact CB-O 3.36Å; A46-L329 HydrophobicContact CB-CD2 3.74Å
47L90.3Very high85.6Confident19 Ų1948.9 Ų48.910%0.09928%0.275CS..Hα-helixtrans-54.2-35.9178.1-178.759.2000113.2T42 L44 P45 L49 R50 N51T42-L47 VanDerWaalsContact OG1-CD2 3.3Å; T42-L47 WeakPolarHBondContact OG1-CD2 3.49Å; L44-L47 HydrophobicContact CB-CB 4.2Å; L44-L47 PolarHBondContact O-N 3.4Å; P45-L47 PolarHBondContact O-N 2.92Å; P45-L47 VanDerWaalsContact O-N 3.08Å; L47-L49 PolarHBondContact O-N 2.86Å; L47-R50 PolarHBondContact O-N 3.37Å; L47-N51 WeakPolarHBondContact CD1-OD1 3.22Å; L47-N51 WeakPolarHBondContact O-CB 3.34Å; L47-N51 PolarHBondContact O-N 3.36Å
48H91.7Very high85.9Confident18 Ų1848 Ų488%0.08327%0.265CS..Hα-helixtrans-61.5-38.7174.954.5-85.8000113D38 A46 L52 V111D38-H48 HydrophobicContact CB-CB 3.87Å; A46-H48 PolarHBondContact O-N 2.89Å; A46-H48 VanDerWaalsContact O-N 3.13Å; H48-L52 WeakPolarHBondContact O-CB 3.45Å; H48-L52 PolarHBondContact O-N 3.33Å; H48-V111 WeakPolarHBondContact CD2-CG1 3.46Å; H48-V111 VanDerWaalsContact NE2-CG1 3.29Å; H48-V111 WeakPolarHBondContact NE2-CG1 3.48Å
49L95.1Very high86.2Confident0 Ų047.9 Ų47.90%026%0.264CS..Hα-helixtrans-71.6-40.9174.7-66.7177.6000111.4A46 L47 L52 F53 E114 C115 L118 F324 H328 L329A46-L49 HydrophobicContact CB-CB 4.41Å; A46-L49 HydrophobicContact CB-CD1 4.2Å; A46-L49 PolarHBondContact O-N 2.9Å; L47-L49 PolarHBondContact O-N 2.86Å; L49-L52 PolarHBondContact O-N 2.91Å; L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 PolarHBondContact O-N 3.42Å; L49-E114 HydrophobicContact CD1-CB 4.13Å; L49-E114 HydrophobicContact CD2-CB 4.04Å; L49-C115 HydrophobicContact CD2-CB 4.48Å; L49-L118 HydrophobicContact CD2-CD2 4.32Å; L49-L118 WeakPolarHBondContact O-CD2 3.12Å; L49-F324 HydrophobicContact CD1-CE1 4.07Å; L49-F324 HydrophobicContact CD1-CZ 3.79Å; L49-F324 HydrophobicContact CD2-CE1 4.3Å; L49-F324 HydrophobicContact CD2-CZ 3.96Å; L49-F324 HydrophobicContact CG-CZ 4.46Å; L49-H328 HydrophobicContact CD1-CB 3.74Å; L49-L329 HydrophobicContact CB-CD2 3.85Å; L49-L329 HydrophobicContact CB-CG 4.49Å
50R94.6Very high86.8Confident116 Ų11643.8 Ų43.844%0.43825%0.247SC..Hα-helixtrans-59.7-48.7174.5170.4171.8-178.31761.8111.3A46 L47 F53 F54 L329 W331A46-R50 PolarHBondContact O-N 3.49Å; A46-R50 VanDerWaalsContact O-N 3.08Å; L47-R50 PolarHBondContact O-N 3.37Å; R50-F53 PolarHBondContact O-N 3.39Å; R50-F54 HydrophobicContact CG-CD2 4.02Å; R50-F54 HydrophobicContact CG-CE2 3.99Å; R50-F54 WeakPolarHBondContact O-CD2 3.32Å; R50-F54 PolarHBondContact O-N 2.89Å; R50-F54 VanDerWaalsContact O-N 3.15Å; R50-L329 HydrophobicContact CB-CD2 4.09Å; R50-W331 HydrophobicContact CB-CZ2 4.44Å; R50-W331 HydrophobicContact CG-CZ2 4.07Å
51N94Very high87.5Confident40 Ų4044.2 Ų44.221%0.21423%0.233CC..Hα-helixtrans-69.1-41-178.7-73.50.9000110.7D38 L47 F54 R55D38-N51 PolarHBondContact OD1-ND2 2.65Å; D38-N51 WeakPolarHBondContact OD2-CB 3.47Å; L47-N51 WeakPolarHBondContact CD1-OD1 3.22Å; L47-N51 WeakPolarHBondContact O-CB 3.34Å; L47-N51 PolarHBondContact O-N 3.36Å; N51-F54 PolarHBondContact O-N 2.87Å; N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 WeakPolarHBondContact O-CG 3.21Å; N51-R55 PolarHBondContact O-N 3.44Å
52L95.7Very high88.1Confident4 Ų442.1 Ų42.12%0.02122%0.222CC..Hα-helixtrans-57.9-48.1171.8179.358.5000111.9L31 W34 H48 L49 F54 R55 L56 C115 L118L31-L52 HydrophobicContact CD1-CD1 4.06Å; L31-L52 HydrophobicContact CD1-CD2 4.14Å; W34-L52 HydrophobicContact CE3-CD1 3.94Å; W34-L52 HydrophobicContact CZ3-CD1 3.89Å; H48-L52 WeakPolarHBondContact O-CB 3.45Å; H48-L52 PolarHBondContact O-N 3.33Å; L49-L52 PolarHBondContact O-N 2.91Å; L52-F54 VanDerWaalsContact C-N 3.35Å; L52-F54 PolarHBondContact O-N 3.1Å; L52-R55 PolarHBondContact O-N 3.24Å; L52-L56 HydrophobicContact CD1-CD1 4.09Å; L52-L56 HydrophobicContact CD1-CD2 4.33Å; L52-L56 HydrophobicContact CD1-CG 3.99Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.42Å; L52-C115 HydrophobicContact CD2-CB 3.59Å; L52-L118 HydrophobicContact CB-CD2 4.22Å; L52-L118 HydrophobicContact CD2-CD2 4.08Å; L52-L118 HydrophobicContact CG-CD2 4.04Å
53F96.5Very high89.3Confident0 Ų042.2 Ų42.20%022%0.22CC..Hα-helixtrans-52.1-52.7176.5-178.6-78.1000111.2L49 R50 L56 V57 L118 F122 W331 T336 H339 F340L49-F53 WeakPolarHBondContact O-CB 3.46Å; L49-F53 PolarHBondContact O-N 3.42Å; R50-F53 PolarHBondContact O-N 3.39Å; F53-L56 PolarHBondContact O-N 3.29Å; F53-V57 HydrophobicContact CD1-CG2 4.12Å; F53-V57 HydrophobicContact CE1-CG2 3.81Å; F53-V57 HydrophobicContact CZ-CG2 4.39Å; F53-V57 WeakPolarHBondContact O-CG2 3.44Å; F53-V57 PolarHBondContact O-N 3.04Å; F53-V57 VanDerWaalsContact O-N 3.08Å; F53-L118 HydrophobicContact CB-CD2 4.12Å; F53-L118 HydrophobicContact CD2-CD1 4.16Å; F53-F122 AromaticContact CD2-CE2 3.66Å; F53-F122 HydrophobicContact CD2-CE2 3.66Å; F53-F122 AromaticContact CD2-CZ 3.74Å; F53-F122 HydrophobicContact CD2-CZ 3.74Å; F53-F122 HydrophobicContact CE1-CZ 4.44Å; F53-F122 AromaticContact CE2-CE2 3.88Å; F53-F122 HydrophobicContact CE2-CE2 3.88Å; F53-F122 AromaticContact CE2-CZ 3.66Å; F53-F122 HydrophobicContact CE2-CZ 3.66Å; F53-F122 HydrophobicContact CG-CE2 4.28Å; F53-F122 HydrophobicContact CG-CZ 4.15Å; F53-F122 HydrophobicContact CZ-CZ 4.03Å; F53-W331 HydrophobicContact CB-CH2 4.36Å; F53-W331 AromaticContact CD1-CH2 3.76Å; F53-W331 HydrophobicContact CD1-CH2 3.76Å; F53-W331 AromaticContact CD1-CZ3 3.75Å; F53-W331 HydrophobicContact CD1-CZ3 3.75Å; F53-W331 HydrophobicContact CD2-CH2 4.43Å; F53-W331 AromaticContact CD2-CZ3 3.91Å; F53-W331 HydrophobicContact CD2-CZ3 3.91Å; F53-W331 HydrophobicContact CE1-CH2 4.16Å; F53-W331 AromaticContact CE1-CZ3 3.76Å; F53-W331 HydrophobicContact CE1-CZ3 3.76Å; F53-W331 AromaticContact CE2-CZ3 3.93Å; F53-W331 HydrophobicContact CE2-CZ3 3.93Å; F53-W331 AromaticContact CG-CH2 3.94Å; F53-W331 HydrophobicContact CG-CH2 3.94Å; F53-W331 AromaticContact CG-CZ3 3.86Å; F53-W331 HydrophobicContact CG-CZ3 3.86Å; F53-W331 AromaticContact CZ-CZ3 3.87Å; F53-W331 HydrophobicContact CZ-CZ3 3.87Å; F53-T336 HydrophobicContact CE2-CG2 4.3Å; F53-H339 HydrophobicContact CE1-CB 3.68Å; F53-H339 HydrophobicContact CZ-CB 3.98Å; F53-F340 HydrophobicContact CE2-CD2 4.23Å; F53-F340 HydrophobicContact CZ-CB 4.43Å; F53-F340 HydrophobicContact CZ-CD2 4.48Å
54F94.4Very high90.5Very high45 Ų4535.9 Ų35.920%0.19718%0.179CC..Hα-helixtrans-69.5-37.9-178.9-72.2-63.2000112.7R50 N51 L52 L56 V57 G58 M170 W331 H339R50-F54 HydrophobicContact CG-CD2 4.02Å; R50-F54 HydrophobicContact CG-CE2 3.99Å; R50-F54 WeakPolarHBondContact O-CD2 3.32Å; R50-F54 PolarHBondContact O-N 2.89Å; R50-F54 VanDerWaalsContact O-N 3.15Å; N51-F54 PolarHBondContact O-N 2.87Å; L52-F54 VanDerWaalsContact C-N 3.35Å; L52-F54 PolarHBondContact O-N 3.1Å; F54-L56 VanDerWaalsContact C-N 3.35Å; F54-L56 PolarHBondContact O-N 3.12Å; F54-V57 PolarHBondContact O-N 3.12Å; F54-G58 PolarHBondContact O-N 3.44Å; F54-M170 VanDerWaalsContact C-SD 3.52Å; F54-M170 VanDerWaalsContact O-CE 3.27Å; F54-M170 WeakPolarHBondContact O-CE 3.42Å; F54-W331 HydrophobicContact CD2-CH2 4.4Å; F54-W331 AromaticContact CE2-CH2 3.55Å; F54-W331 HydrophobicContact CE2-CH2 3.55Å; F54-W331 AromaticContact CE2-CZ2 3.82Å; F54-W331 HydrophobicContact CE2-CZ2 3.82Å; F54-W331 AromaticContact CZ-CH2 3.69Å; F54-W331 HydrophobicContact CZ-CH2 3.69Å; F54-W331 HydrophobicContact CZ-CZ2 4.19Å; F54-H339 AromaticContact CE1-CG 3.96Å; F54-H339 AromaticContact CE1-ND1 3.98Å
55R94.5Very high91.6Very high45 Ų4532.8 Ų32.817%0.1716%0.163CC..Hα-helixtrans-57.7-43.8174-72.5178.1-170.7132.66.4112.3W34 D38 N51 L52 G58 L59 F168 M170W34-R55 HydrophobicContact CE3-CB 4.31Å; W34-R55 HydrophobicContact CE3-CG 4.5Å; W34-R55 HydrophobicContact CH2-CB 3.62Å; W34-R55 HydrophobicContact CH2-CG 4.08Å; W34-R55 HydrophobicContact CZ2-CB 4.48Å; W34-R55 HydrophobicContact CZ2-CG 4.49Å; W34-R55 HydrophobicContact CZ3-CB 3.52Å; W34-R55 VanDerWaalsContact CZ3-CD 3.4Å; W34-R55 HydrophobicContact CZ3-CG 4.08Å; D38-R55 IonicContact OD1-CZ 3.49Å; D38-R55 IonicContact OD1-NH1 3.94Å; D38-R55 PolarHBondContact OD1-NH1 2.88Å; D38-R55 IonicContact OD1-NH2 3.5Å; D38-R55 PolarHBondContact OD1-NH2 3.13Å; D38-R55 IonicContact OD2-CZ 3.45Å; D38-R55 IonicContact OD2-NH1 3.94Å; D38-R55 PolarHBondContact OD2-NH1 3.32Å; D38-R55 IonicContact OD2-NH2 2.69Å; D38-R55 PolarHBondContact OD2-NH2 2.98Å; N51-R55 WeakPolarHBondContact O-CB 3.49Å; N51-R55 WeakPolarHBondContact O-CG 3.21Å; N51-R55 PolarHBondContact O-N 3.44Å; L52-R55 PolarHBondContact O-N 3.24Å; R55-G58 PolarHBondContact O-N 2.97Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 3.31Å; R55-F168 HydrophobicContact CB-CE1 4.36Å; R55-F168 HydrophobicContact CG-CD1 4.45Å; R55-F168 HydrophobicContact CG-CE1 4.07Å; R55-M170 WeakPolarHBondContact CA-SD 3.01Å; R55-M170 HydrophobicContact CB-SD 4.43Å; R55-M170 HydrophobicContact CG-SD 4.28Å
56L95.4Very high92.6Very high2 Ų227.2 Ų27.21%0.0113%0.127CC..Hα-helixtrans-63.5-47.7174.1-64.8175.1000111.7L52 F53 F54 G58 L59 L60 P66 L119 F122 I124L52-L56 HydrophobicContact CD1-CD1 4.09Å; L52-L56 HydrophobicContact CD1-CD2 4.33Å; L52-L56 HydrophobicContact CD1-CG 3.99Å; L52-L56 HydrophobicContact CG-CD1 4.14Å; L52-L56 HydrophobicContact CG-CG 4.44Å; L52-L56 VanDerWaalsContact O-CG 3.32Å; L52-L56 WeakPolarHBondContact O-CG 3.49Å; L52-L56 PolarHBondContact O-N 3.42Å; F53-L56 PolarHBondContact O-N 3.29Å; F54-L56 VanDerWaalsContact C-N 3.35Å; F54-L56 PolarHBondContact O-N 3.12Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.62Å; L56-L59 PolarHBondContact O-N 2.84Å; L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CD1 3.35Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.24Å; L56-L60 PolarHBondContact O-N 3.03Å; L56-P66 HydrophobicContact CD2-CB 4.49Å; L56-P66 HydrophobicContact CD2-CG 3.76Å; L56-L119 HydrophobicContact CD1-CD2 3.89Å; L56-L119 HydrophobicContact CD2-CD2 3.9Å; L56-F122 HydrophobicContact CB-CD1 4.4Å; L56-F122 HydrophobicContact CB-CE1 4.42Å; L56-F122 HydrophobicContact CD1-CB 4.41Å; L56-F122 HydrophobicContact CD1-CD2 3.84Å; L56-F122 HydrophobicContact CD1-CE2 4.28Å; L56-F122 HydrophobicContact CD1-CG 4.12Å; L56-I124 HydrophobicContact CD2-CG1 4.36Å; L56-I124 HydrophobicContact CD2-CG2 4.45Å
57V93.7Very high93.1Very high11 Ų1126.5 Ų26.57%0.06712%0.12CC..Hα-helixtrans-58.4-38.6175.6172.20000111.7F53 F54 R61 F122 V343F53-V57 HydrophobicContact CD1-CG2 4.12Å; F53-V57 HydrophobicContact CE1-CG2 3.81Å; F53-V57 HydrophobicContact CZ-CG2 4.39Å; F53-V57 WeakPolarHBondContact O-CG2 3.44Å; F53-V57 PolarHBondContact O-N 3.04Å; F53-V57 VanDerWaalsContact O-N 3.08Å; F54-V57 PolarHBondContact O-N 3.12Å; V57-R61 WeakPolarHBondContact O-CB 3.49Å; V57-R61 WeakPolarHBondContact O-CG 3.16Å; V57-R61 PolarHBondContact O-N 3.39Å; V57-F122 HydrophobicContact CG2-CE1 3.78Å; V57-F122 HydrophobicContact CG2-CZ 3.86Å; V57-V343 HydrophobicContact CB-CG2 4.31Å; V57-V343 HydrophobicContact CG1-CG2 4.03Å; V57-V343 HydrophobicContact CG2-CG2 4.09Å
58G90.9Very high93.4Very high10 Ų1025.7 Ų25.710%0.10312%0.116CC..Hα-helixtrans-62.7-54.4177.300000112.8F54 R55 L56 Q62 M170F54-G58 PolarHBondContact O-N 3.44Å; R55-G58 PolarHBondContact O-N 2.97Å; L56-G58 VanDerWaalsContact C-N 3.26Å; L56-G58 PolarHBondContact O-N 2.62Å; G58-Q62 PolarHBondContact O-N 3.45Å; G58-M170 VanDerWaalsContact CA-CE 3.46Å
59L92.5Very high93.7Very high2 Ų224.9 Ų24.91%0.0111%0.112CC..Hα-helixtrans-60.5-51.8-179.3-70.3167.1000111.9W34 R55 L56 R61 Q62 N63 T64 P66 I150 F168W34-L59 HydrophobicContact CH2-CD1 4.16Å; R55-L59 WeakPolarHBondContact O-CG 3.41Å; R55-L59 PolarHBondContact O-N 3.31Å; L56-L59 PolarHBondContact O-N 2.84Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3Å; L59-Q62 WeakPolarHBondContact O-CA 3.43Å; L59-Q62 PolarHBondContact O-N 3.1Å; L59-N63 PolarHBondContact O-N 3.45Å; L59-T64 CarbonylContact C-O 3.52Å; L59-T64 VanDerWaalsContact C-O 3.32Å; L59-T64 HydrophobicContact CD2-CG2 3.75Å; L59-T64 PolarHBondContact O-N 3.34Å; L59-P66 HydrophobicContact CD1-CB 4Å; L59-P66 HydrophobicContact CD1-CG 4.05Å; L59-I150 HydrophobicContact CD1-CD1 4.44Å; L59-I150 HydrophobicContact CD2-CD1 4.04Å; L59-F168 HydrophobicContact CD1-CZ 4.42Å; L59-F168 HydrophobicContact CD2-CE2 3.51Å; L59-F168 HydrophobicContact CD2-CZ 3.61Å; L59-F168 HydrophobicContact CG-CE2 4.2Å; L59-F168 HydrophobicContact CG-CZ 3.77Å
60L92.7Very high93.8Very high2 Ų225.2 Ų25.21%0.0111%0.114CC..Hα-helixtrans-63.9-34.7-174.7-64.9169.3000112.7L56 Q62 N63 L65 F122 I124 W313 V343 L346 R350L56-L60 WeakPolarHBondContact O-CB 3.3Å; L56-L60 WeakPolarHBondContact O-CD1 3.35Å; L56-L60 VanDerWaalsContact O-CG 3.22Å; L56-L60 WeakPolarHBondContact O-CG 3.24Å; L56-L60 PolarHBondContact O-N 3.03Å; L60-Q62 VanDerWaalsContact C-N 3.28Å; L60-Q62 PolarHBondContact O-N 3.24Å; L60-N63 PolarHBondContact O-N 3.2Å; L60-N63 VanDerWaalsContact O-N 3.09Å; L60-L65 HydrophobicContact CD2-CD1 4.49Å; L60-F122 HydrophobicContact CD1-CD1 3.97Å; L60-I124 HydrophobicContact CD1-CD1 3.91Å; L60-I124 HydrophobicContact CD2-CD1 3.75Å; L60-I124 HydrophobicContact CG-CD1 4.31Å; L60-W313 HydrophobicContact CB-CH2 4.31Å; L60-W313 HydrophobicContact CB-CZ2 4.35Å; L60-W313 HydrophobicContact CD1-CZ2 3.88Å; L60-W313 HydrophobicContact CD2-CD2 3.96Å; L60-W313 HydrophobicContact CD2-CE3 4.24Å; L60-W313 HydrophobicContact CD2-CH2 4.17Å; L60-W313 HydrophobicContact CD2-CZ2 3.86Å; L60-W313 HydrophobicContact CD2-CZ3 4.34Å; L60-W313 HydrophobicContact CG-CZ2 4.24Å; L60-V343 HydrophobicContact CB-CG1 4Å; L60-V343 HydrophobicContact CD1-CG1 3.69Å; L60-V343 HydrophobicContact CG-CG1 4.5Å; L60-L346 WeakPolarHBondContact O-CD2 3.21Å; L60-R350 PolarHBondContact O-NH1 3.08Å
61R88.3Confident93.7Very high108 Ų10822.2 Ų22.241%0.40811%0.107SC..Hα-helixtrans-65.8-27.5173.6-76.2-177.969.4-171.9-0113.5V57 L59 N63 V343V57-R61 WeakPolarHBondContact O-CB 3.49Å; V57-R61 WeakPolarHBondContact O-CG 3.16Å; V57-R61 PolarHBondContact O-N 3.39Å; L59-R61 VanDerWaalsContact C-N 3.29Å; L59-R61 PolarHBondContact O-N 3Å; R61-N63 VanDerWaalsContact C-N 3.29Å; R61-V343 HydrophobicContact CG-CG2 4.36Å
62Q85.7Confident93.7Very high37 Ų3721.2 Ų21.217%0.17311%0.106CC..THydrogen-bonded Turntrans-86.12.9173.1-58.4-57.1-27.200113.3L19 G23 G58 L59 L60 T64L19-Q62 HydrophobicContact CB-CG 4.14Å; G23-Q62 WeakPolarHBondContact CA-O 3.38Å; G58-Q62 PolarHBondContact O-N 3.45Å; L59-Q62 WeakPolarHBondContact O-CA 3.43Å; L59-Q62 PolarHBondContact O-N 3.1Å; L60-Q62 VanDerWaalsContact C-N 3.28Å; L60-Q62 PolarHBondContact O-N 3.24Å; Q62-T64 VanDerWaalsContact C-N 3.25Å
63N89.4Confident93.4Very high60 Ų6025.8 Ų25.832%0.32113%0.134SC..THydrogen-bonded Turntrans64.823.8-169-158.346.4000113.8C24 L59 L60 R61 R350C24-N63 WeakPolarHBondContact CA-O 3.3Å; C24-N63 PolarHBondContact N-O 2.83Å; C24-N63 PolarHBondContact SG-ND2 3.12Å; L59-N63 PolarHBondContact O-N 3.45Å; L60-N63 PolarHBondContact O-N 3.2Å; L60-N63 VanDerWaalsContact O-N 3.09Å; R61-N63 VanDerWaalsContact C-N 3.29Å; N63-R350 PolarHBondContact OD1-NE 3.35Å; N63-R350 PolarHBondContact OD1-NH1 2.91Å
64T92Very high93.1Very high1 Ų127.4 Ų27.41%0.00615%0.147CC..  trans-92.2124.8172.7-51.40000108.3I22 D25 V27 L59 Q62 P66I22-T64 HydrophobicContact CD1-CG2 4.48Å; I22-T64 PolarHBondContact O-OG1 3.08Å; D25-T64 HydrophobicContact CB-CG2 4.41Å; D25-T64 CarbonylContact O-C 3.07Å; D25-T64 VanDerWaalsContact O-CA 3.27Å; D25-T64 WeakPolarHBondContact O-CA 3.46Å; D25-T64 VanDerWaalsContact O-CG2 3.27Å; D25-T64 WeakPolarHBondContact O-CG2 3.38Å; V27-T64 HydrophobicContact CB-CG2 4.45Å; V27-T64 HydrophobicContact CG1-CG2 3.79Å; V27-T64 HydrophobicContact CG2-CG2 3.74Å; L59-T64 CarbonylContact C-O 3.52Å; L59-T64 VanDerWaalsContact C-O 3.32Å; L59-T64 HydrophobicContact CD2-CG2 3.75Å; L59-T64 PolarHBondContact O-N 3.34Å; Q62-T64 VanDerWaalsContact C-N 3.25Å; T64-P66 VanDerWaalsContact O-CD 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.43Å
65L94.4Very high93Very high31 Ų3126.3 Ų26.316%0.16215%0.145CC..EExtended strand (participates in β ladder)trans-98.6107.7-177.5176.355.1000110.6D25 S26 V27 L60 I124 S311 W313D25-L65 PolarHBondContact O-N 3.05Å; S26-L65 WeakPolarHBondContact CA-O 3.33Å; V27-L65 PolarHBondContact N-O 2.81Å; L60-L65 HydrophobicContact CD2-CD1 4.49Å; L65-I124 HydrophobicContact CD1-CD1 4.23Å; L65-S311 WeakPolarHBondContact CD2-O 3.49Å; L65-W313 HydrophobicContact CD1-CB 3.75Å; L65-W313 HydrophobicContact CD1-CG 4.04Å; L65-W313 HydrophobicContact CD2-CB 4.28Å
66P96.4Very high92.8Very high2 Ų229.3 Ų29.31%0.01317%0.173CC..EExtended strand (participates in β ladder)trans-74.214517228.1-31.7000112.2V27 V29 L56 L59 T64 I124V27-P66 HydrophobicContact CG2-CB 4.29Å; V27-P66 CarbonylContact O-C 3.47Å; V27-P66 VanDerWaalsContact O-CA 3.32Å; V27-P66 WeakPolarHBondContact O-CA 3.5Å; V29-P66 HydrophobicContact CG2-CB 3.79Å; L56-P66 HydrophobicContact CD2-CB 4.49Å; L56-P66 HydrophobicContact CD2-CG 3.76Å; L59-P66 HydrophobicContact CD1-CB 4Å; L59-P66 HydrophobicContact CD1-CG 4.05Å; T64-P66 VanDerWaalsContact O-CD 3.29Å; T64-P66 WeakPolarHBondContact O-CD 3.43Å; P66-I124 HydrophobicContact CG-CD1 4.23Å; P66-I124 HydrophobicContact CG-CG2 4.03Å; P66-I124 WeakPolarHBondContact O-CG2 3.44Å
67I97Very high92.5Very high4 Ų430.8 Ų30.82%0.02118%0.181CC..EExtended strand (participates in β ladder)trans-116.9122.8154.4-178.8167.5000108.2V27 A28 V29 P125 V127 L140 V146 I310V27-I67 PolarHBondContact O-N 2.81Å; A28-I67 CarbonylContact C-O 3.32Å; A28-I67 WeakPolarHBondContact CA-O 3.37Å; A28-I67 HydrophobicContact CB-CG2 4.16Å; V29-I67 PolarHBondContact N-O 2.87Å; I67-P125 WeakPolarHBondContact CA-O 3.47Å; I67-P125 HydrophobicContact CB-CG 4.16Å; I67-P125 HydrophobicContact CD1-CB 4.24Å; I67-P125 HydrophobicContact CD1-CG 4.46Å; I67-P125 HydrophobicContact CG1-CB 4.17Å; I67-P125 HydrophobicContact CG1-CG 4.18Å; I67-V127 HydrophobicContact CD1-CG1 4.19Å; I67-V127 HydrophobicContact CD1-CG2 4.39Å; I67-L140 HydrophobicContact CG2-CD1 4.32Å; I67-V146 HydrophobicContact CG2-CG1 3.66Å; I67-I310 HydrophobicContact CB-CG2 4.47Å; I67-I310 HydrophobicContact CD1-CB 4.15Å; I67-I310 HydrophobicContact CD1-CG1 3.85Å; I67-I310 HydrophobicContact CD1-CG2 3.88Å; I67-I310 HydrophobicContact CG2-CG2 4.22Å
68A97.4Very high92.4Very high2 Ų231 Ų312%0.01718%0.18CC..EExtended strand (participates in β ladder)trans-83132.2-177.900000111.4L31 L119 P125 W126 V127L31-A68 HydrophobicContact CD2-CB 4.36Å; A68-L119 HydrophobicContact CB-CD1 3.51Å; A68-L119 HydrophobicContact CB-CD2 4.01Å; A68-L119 HydrophobicContact CB-CG 4.44Å; A68-P125 PolarHBondContact N-O 3.28Å; A68-W126 HydrophobicContact CB-CB 3.99Å; A68-W126 CarbonylContact O-C 3.6Å; A68-W126 WeakPolarHBondContact O-CA 3.27Å; A68-W126 WeakPolarHBondContact O-CB 3.34Å; A68-V127 PolarHBondContact O-N 3.27Å
69V97.8Very high92.1Very high0 Ų032.4 Ų32.40%019%0.189CC..EExtended strand (participates in β ladder)trans-110.6129.5178.3-175.20000109.2A28 V29 L31 V127 A133 M136 C137 L140A28-V69 HydrophobicContact CB-CG2 4.17Å; V29-V69 PolarHBondContact O-N 3.19Å; L31-V69 VanDerWaalsContact CB-O 3.29Å; L31-V69 WeakPolarHBondContact CB-O 3.15Å; L31-V69 PolarHBondContact N-O 3.49Å; V69-V127 WeakPolarHBondContact CA-O 3.45Å; V69-V127 HydrophobicContact CG1-CG2 4.44Å; V69-V127 HydrophobicContact CG2-CG2 3.95Å; V69-A133 HydrophobicContact CB-CB 4.44Å; V69-A133 HydrophobicContact CG1-CB 3.87Å; V69-M136 HydrophobicContact CG1-CB 3.74Å; V69-M136 HydrophobicContact CG1-CG 3.74Å; V69-C137 VanDerWaalsContact CG2-SG 3.56Å; V69-L140 HydrophobicContact CG2-CD1 4.08Å
70L96.2Very high91.6Very high8 Ų836.8 Ų36.84%0.04221%0.212CC..EExtended strand (participates in β ladder)trans-108.5142.8178.5-66.2107.7000112.1L31 I116 W126 V127 Q128 S129L31-L70 HydrophobicContact CD2-CD1 4.42Å; L31-L70 HydrophobicContact CD2-CD2 3.99Å; L31-L70 HydrophobicContact CD2-CG 3.97Å; L70-I116 HydrophobicContact CD1-CD1 4.06Å; L70-I116 HydrophobicContact CD1-CG1 4.17Å; L70-I116 HydrophobicContact CD2-CD1 3.76Å; L70-I116 HydrophobicContact CD2-CG1 4.16Å; L70-W126 HydrophobicContact CD1-CB 4.27Å; L70-W126 HydrophobicContact CD1-CD2 4.18Å; L70-W126 HydrophobicContact CD1-CE3 3.47Å; L70-W126 VanDerWaalsContact CD1-CE3 3.47Å; L70-W126 HydrophobicContact CD1-CZ3 4.17Å; L70-V127 PolarHBondContact N-O 2.96Å; L70-Q128 PolarHBondContact O-NE2 3.34Å; L70-S129 WeakPolarHBondContact O-CB 3.36Å; L70-S129 PolarHBondContact O-N 3.29Å
71D93.4Very high91Very high52 Ų5237 Ų3728%0.27821%0.214SC..  trans-65.1136.1171.7-70.9-34000112.4S32 Q128 A133S32-D71 WeakPolarHBondContact CB-OD2 3.05Å; S32-D71 PolarHBondContact OG-OD2 3.37Å; D71-Q128 PolarHBondContact O-NE2 2.98Å; D71-A133 WeakPolarHBondContact OD1-CB 3Å; D71-A133 PolarHBondContact OD1-N 3.01Å
72G92.9Very high90.6Very high20 Ų2036.4 Ų36.421%0.20622%0.217CC..  trans-95.6-114.6172.800000113R105 Q128 S129 G131G72-R105 PolarHBondContact O-NH2 2.87Å; G72-Q128 VanDerWaalsContact CA-NE2 3.35Å; G72-S129 WeakPolarHBondContact CA-O 3.14Å; G72-S129 PolarHBondContact N-O 2.89Å; G72-G131 WeakPolarHBondContact CA-O 3.21Å; G72-G131 PolarHBondContact N-O 3.42Å
73V90.3Very high90.5Very high100 Ų10039.4 Ų39.461%0.60623%0.229SC*.  trans-108.8110177.5-176.60000108.6P130V73-P130 PolarHBondContact N-O 3.29Å
74A90.6Very high90Very high33 Ų3341.1 Ų41.127%0.27324%0.235SC..  trans-52.2138.5175.300000111.8K78 M82 E132A74-K78 HydrophobicContact CB-CD 4.33Å; A74-M82 HydrophobicContact CB-CE 4.42Å; A74-M82 HydrophobicContact CB-SD 3.89Å; A74-E132 WeakPolarHBondContact CA-OE1 3.48Å; A74-E132 WeakPolarHBondContact CB-OE1 3.45Å
75P91.5Very high89.3Confident23 Ų2345 Ų4515%0.14925%0.25CC..  trans-55148.5178.3-26.435.5000112.7L77 K78 E132 Y207 E292P75-L77 HydrophobicContact CB-CB 4.45Å; P75-L77 PolarHBondContact O-N 3.07Å; P75-L77 VanDerWaalsContact O-N 3.16Å; P75-K78 WeakPolarHBondContact O-CB 3.24Å; P75-K78 PolarHBondContact O-N 2.92Å; P75-E132 WeakPolarHBondContact CD-OE1 3.43Å; P75-Y207 HydrophobicContact CB-CE1 4.35Å; P75-Y207 HydrophobicContact CG-CE1 4.16Å; P75-E292 HydrophobicContact CB-CG 4.48Å; P75-E292 HydrophobicContact CG-CG 4.22Å; P75-E292 WeakPolarHBondContact CG-OE1 3.14Å
76S90.5Very high88.4Confident107 Ų10747 Ų4775%0.74826%0.259SS*.G310 helixtrans-54.4-34.8175.748.70000112.5K78 S79S76-K78 VanDerWaalsContact C-N 3.3Å; S76-K78 PolarHBondContact O-N 3.16Å; S76-S79 WeakPolarHBondContact O-CB 3.41Å; S76-S79 PolarHBondContact O-N 3.42Å; S76-S79 PolarHBondContact O-OG 2.94Å
77L89.9Confident87.4Confident34 Ų3450.1 Ų50.118%0.17827%0.273CS..G310 helixtrans-57-36.8175.4-165.465.5000113P75 S79 Y207 P285 E288 I289 E292P75-L77 HydrophobicContact CB-CB 4.45Å; P75-L77 PolarHBondContact O-N 3.07Å; P75-L77 VanDerWaalsContact O-N 3.16Å; L77-S79 PolarHBondContact O-N 2.67Å; L77-Y207 HydrophobicContact CB-CD1 4.19Å; L77-Y207 HydrophobicContact CD2-CD1 4.12Å; L77-Y207 HydrophobicContact CD2-CD2 4.43Å; L77-Y207 HydrophobicContact CD2-CG 3.88Å; L77-Y207 HydrophobicContact CG-CD1 4.15Å; L77-Y207 HydrophobicContact CG-CG 4.23Å; L77-P285 HydrophobicContact CD1-CB 4.06Å; L77-P285 HydrophobicContact CD1-CG 3.64Å; L77-E288 HydrophobicContact CD1-CB 4.11Å; L77-E288 HydrophobicContact CD2-CB 4.32Å; L77-I289 HydrophobicContact CD2-CB 4.49Å; L77-I289 HydrophobicContact CD2-CG1 3.8Å; L77-I289 HydrophobicContact CG-CG1 4.49Å; L77-E292 HydrophobicContact CD2-CB 4.12Å
78K90.6Very high86.4Confident14 Ų1458.5 Ų58.56%0.06131%0.309CS..G310 helixtrans-70.8-15.8176.6-144.4168-178.8154.40112.4A74 P75 S76 D80 V81 M82 E132 E134 D206 Y207A74-K78 HydrophobicContact CB-CD 4.33Å; P75-K78 WeakPolarHBondContact O-CB 3.24Å; P75-K78 PolarHBondContact O-N 2.92Å; S76-K78 VanDerWaalsContact C-N 3.3Å; S76-K78 PolarHBondContact O-N 3.16Å; K78-D80 PolarHBondContact O-N 3.17Å; K78-V81 PolarHBondContact O-N 3.08Å; K78-M82 HydrophobicContact CB-CG 4.47Å; K78-M82 HydrophobicContact CB-SD 4.28Å; K78-M82 HydrophobicContact CG-CG 4.18Å; K78-M82 HydrophobicContact CG-SD 4.36Å; K78-M82 VanDerWaalsContact O-CG 3.28Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 2.9Å; K78-E132 WeakPolarHBondContact CD-OE1 3.49Å; K78-E132 IonicContact NZ-OE1 3.74Å; K78-E132 PolarHBondContact NZ-OE1 3.07Å; K78-E132 IonicContact NZ-OE2 3.62Å; K78-E132 PolarHBondContact NZ-OE2 2.8Å; K78-E134 IonicContact NZ-OE1 3.66Å; K78-D206 WeakPolarHBondContact CE-OD2 3.1Å; K78-D206 IonicContact NZ-OD2 2.66Å; K78-D206 PolarHBondContact NZ-OD2 3.36Å; K78-Y207 HydrophobicContact CB-CD1 3.91Å; K78-Y207 HydrophobicContact CB-CE1 3.79Å; K78-Y207 HydrophobicContact CD-CE1 3.88Å; K78-Y207 HydrophobicContact CG-CD1 4.03Å; K78-Y207 HydrophobicContact CG-CE1 3.85Å
79S84.9Confident84.9Confident41 Ų4167.8 Ų67.829%0.28734%0.344SS..Hα-helixtrans-64.3-35.1-164.576.40000114.1S76 L77 K83S76-S79 WeakPolarHBondContact O-CB 3.41Å; S76-S79 PolarHBondContact O-N 3.42Å; S76-S79 PolarHBondContact O-OG 2.94Å; L77-S79 PolarHBondContact O-N 2.67Å; S79-K83 WeakPolarHBondContact O-CE 3.43Å; S79-K83 WeakPolarHBondContact O-CG 3.49Å; S79-K83 PolarHBondContact O-N 3.32Å; S79-K83 PolarHBondContact OG-NZ 2.88Å
80D80.7Confident83.6Confident93 Ų9370.7 Ų70.750%0.49736%0.362SS..Hα-helixtrans-74.8-39.5178.1-72.2-41.2000112.2K78 M82 K83 Q84K78-D80 PolarHBondContact O-N 3.17Å; D80-M82 VanDerWaalsContact C-N 3.31Å; D80-M82 PolarHBondContact O-N 3.34Å; D80-K83 PolarHBondContact O-N 2.85Å; D80-K83 WeakPolarHBondContact OD1-CD 3.3Å; D80-K83 IonicContact OD1-NZ 3.63Å; D80-K83 PolarHBondContact OD1-NZ 2.88Å; D80-Q84 WeakPolarHBondContact O-CG 3.44Å; D80-Q84 PolarHBondContact O-N 3.38Å
81V81.1Confident82.3Confident8 Ų873.7 Ų73.75%0.04840%0.395CS..Hα-helixtrans-61.7-40.9171.21780000110.8K78 Q84 R85 D206 A209K78-V81 PolarHBondContact O-N 3.08Å; V81-Q84 PolarHBondContact O-N 3.17Å; V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CB 3.21Å; V81-R85 WeakPolarHBondContact O-CG 3.22Å; V81-R85 PolarHBondContact O-N 2.76Å; V81-D206 WeakPolarHBondContact CB-O 3.11Å; V81-D206 WeakPolarHBondContact CG1-O 3.41Å; V81-D206 WeakPolarHBondContact CG2-O 3.49Å; V81-A209 HydrophobicContact CB-CB 4.41Å; V81-A209 HydrophobicContact CG1-CB 3.83Å; V81-A209 HydrophobicContact CG2-CB 3.77Å
82M80.8Confident80.7Confident95 Ų9578.7 Ų78.747%0.46841%0.414SS..Hα-helixtrans-62.9-43.6174.2-69.4177.984.100112.4A74 K78 D80 R85 Q86A74-M82 HydrophobicContact CB-CE 4.42Å; A74-M82 HydrophobicContact CB-SD 3.89Å; K78-M82 HydrophobicContact CB-CG 4.47Å; K78-M82 HydrophobicContact CB-SD 4.28Å; K78-M82 HydrophobicContact CG-CG 4.18Å; K78-M82 HydrophobicContact CG-SD 4.36Å; K78-M82 VanDerWaalsContact O-CG 3.28Å; K78-M82 WeakPolarHBondContact O-CG 3.29Å; K78-M82 PolarHBondContact O-N 2.9Å; D80-M82 VanDerWaalsContact C-N 3.31Å; D80-M82 PolarHBondContact O-N 3.34Å; M82-R85 PolarHBondContact O-N 3.12Å; M82-Q86 WeakPolarHBondContact O-CB 3.37Å; M82-Q86 PolarHBondContact O-N 3.35Å
83K82.1Confident79.2Confident100 Ų10084.1 Ų84.144%0.43544%0.437SS..Hα-helixtrans-59.2-48.1174.1-70.7162.6-146.8158.20110.8S79 D80 R85 Q86 Q87S79-K83 WeakPolarHBondContact O-CE 3.43Å; S79-K83 WeakPolarHBondContact O-CG 3.49Å; S79-K83 PolarHBondContact O-N 3.32Å; S79-K83 PolarHBondContact OG-NZ 2.88Å; D80-K83 PolarHBondContact O-N 2.85Å; D80-K83 WeakPolarHBondContact OD1-CD 3.3Å; D80-K83 IonicContact OD1-NZ 3.63Å; D80-K83 PolarHBondContact OD1-NZ 2.88Å; K83-R85 PolarHBondContact O-N 2.88Å; K83-Q86 PolarHBondContact O-N 2.97Å; K83-Q87 VanDerWaalsContact O-CG 3.28Å; K83-Q87 WeakPolarHBondContact O-CG 3.09Å; K83-Q87 PolarHBondContact O-N 3.38Å
84Q78.9Confident77.4Confident96 Ų9682.7 Ų82.745%0.44943%0.428SS..Hα-helixtrans-61.3-43.9178.4-70.7178.617.600112.3D80 V81 Q87 K88D80-Q84 WeakPolarHBondContact O-CG 3.44Å; D80-Q84 PolarHBondContact O-N 3.38Å; V81-Q84 PolarHBondContact O-N 3.17Å; Q84-Q87 PolarHBondContact O-N 3.45Å; Q84-K88 WeakPolarHBondContact O-CG 3.34Å; Q84-K88 PolarHBondContact O-N 2.95Å
85R78.1Confident75.5Confident82 Ų8287.1 Ų87.131%0.30945%0.452SS..Hα-helixtrans-60.6-43.9174.5-74.4176.3-179.9176.21.8111.6V81 M82 K83 K88 W89 D206V81-R85 HydrophobicContact CG1-CG 4.49Å; V81-R85 WeakPolarHBondContact O-CB 3.21Å; V81-R85 WeakPolarHBondContact O-CG 3.22Å; V81-R85 PolarHBondContact O-N 2.76Å; M82-R85 PolarHBondContact O-N 3.12Å; K83-R85 PolarHBondContact O-N 2.88Å; R85-K88 PolarHBondContact O-N 2.9Å; R85-W89 PolarHBondContact O-N 3.27Å; R85-D206 IonicContact CZ-OD1 2.75Å; R85-D206 IonicContact CZ-OD2 3.74Å; R85-D206 IonicContact NH1-OD1 3.65Å; R85-D206 PolarHBondContact NH1-OD1 2.82Å; R85-D206 IonicContact NH1-OD2 3.75Å; R85-D206 PolarHBondContact NH1-OD2 3.15Å; R85-D206 VanDerWaalsContact NH2-CG 3.29Å; R85-D206 IonicContact NH2-OD1 3.73Å; R85-D206 PolarHBondContact NH2-OD1 2.99Å; R85-D206 IonicContact NH2-OD2 3.83Å; R85-D206 PolarHBondContact NH2-OD2 3.31Å
86Q75.1Confident73.3Confident74 Ų7493.1 Ų93.135%0.34648%0.478SS..Hα-helixtrans-65.7-39.5177.6-174.31730.300112.5M82 K83 W89 T90M82-Q86 WeakPolarHBondContact O-CB 3.37Å; M82-Q86 PolarHBondContact O-N 3.35Å; K83-Q86 PolarHBondContact O-N 2.97Å; Q86-W89 PolarHBondContact O-N 3.16Å; Q86-T90 HydrophobicContact CG-CG2 4.3Å; Q86-T90 WeakPolarHBondContact O-CB 3.48Å; Q86-T90 WeakPolarHBondContact O-CG2 3.28Å; Q86-T90 PolarHBondContact O-N 3.2Å; Q86-T90 PolarHBondContact O-OG1 3.37Å
87Q76.7Confident71.2Confident66 Ų6698 Ų9831%0.30849%0.486SS..Hα-helixtrans-64.2-47.5175.4-72.3172.54.400111.5K83 Q84 W89 T90 G91K83-Q87 VanDerWaalsContact O-CG 3.28Å; K83-Q87 WeakPolarHBondContact O-CG 3.09Å; K83-Q87 PolarHBondContact O-N 3.38Å; Q84-Q87 PolarHBondContact O-N 3.45Å; Q87-W89 VanDerWaalsContact C-N 3.29Å; Q87-W89 PolarHBondContact O-N 3Å; Q87-T90 PolarHBondContact O-N 3.43Å; Q87-G91 WeakPolarHBondContact O-CA 3.5Å; Q87-G91 PolarHBondContact O-N 3.33Å
88K74.6Confident68.7Low181 Ų181100.6 Ų100.679%0.78751%0.506SS*.Hα-helixtrans-57.1-40.1175.2-76.5-178.6178178.50112.5Q84 R85Q84-K88 WeakPolarHBondContact O-CG 3.34Å; Q84-K88 PolarHBondContact O-N 2.95Å; R85-K88 PolarHBondContact O-N 2.9Å
89W66.9Low66.6Low196 Ų196106.7 Ų106.774%0.74255%0.545SS*.Hα-helixtrans-77.1-36-179.4-175.141.5000113.9R85 Q86 Q87R85-W89 PolarHBondContact O-N 3.27Å; Q86-W89 PolarHBondContact O-N 3.16Å; Q87-W89 VanDerWaalsContact C-N 3.29Å; Q87-W89 PolarHBondContact O-N 3Å
90T70.8Confident64.8Low62 Ų62113 Ų11338%0.3857%0.567SS.*Hα-helixtrans-93.2-14-175.659.10000114.5Q86 Q87 K92Q86-T90 HydrophobicContact CG-CG2 4.3Å; Q86-T90 WeakPolarHBondContact O-CB 3.48Å; Q86-T90 WeakPolarHBondContact O-CG2 3.28Å; Q86-T90 PolarHBondContact O-N 3.2Å; Q86-T90 PolarHBondContact O-OG1 3.37Å; Q87-T90 PolarHBondContact O-N 3.43Å; T90-K92 PolarHBondContact O-N 3.44Å; T90-K92 VanDerWaalsContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 2.79Å
91G67Low63.4Low71 Ų71112.9 Ų112.973%0.73257%0.571SS**SBendtrans657.4-17200000114.2Q87Q87-G91 WeakPolarHBondContact O-CA 3.5Å; Q87-G91 PolarHBondContact O-N 3.33Å
92K61.3Low62.7Low157 Ų157116.1 Ų116.168%0.68359%0.588SS**  trans-116.2115.8-174.9-69.5-173.9179.9-173.70111T90 T94T90-K92 PolarHBondContact O-N 3.44Å; T90-K92 VanDerWaalsContact O-N 3.15Å; T90-K92 PolarHBondContact OG1-N 2.79Å; K92-T94 PolarHBondContact O-N 3.44Å; K92-T94 PolarHBondContact O-OG1 2.63Å; K92-T94 VanDerWaalsContact O-OG1 3.13Å
93I60Low61.8Low133 Ų133116.9 Ų116.968%0.68259%0.594SS**  trans-61.6110.7168.4-53.1177.3000107.5T95I93-T95 HydrophobicContact CG2-CG2 3.92Å; I93-T95 PolarHBondContact O-N 3.03Å; I93-T95 VanDerWaalsContact O-N 3.1Å
94T54.4Low61.2Low70 Ų70115.2 Ų115.243%0.42959%0.589SS.*  trans-87.879.5-172-29.10000109.8K92K92-T94 PolarHBondContact O-N 3.44Å; K92-T94 PolarHBondContact O-OG1 2.63Å; K92-T94 VanDerWaalsContact O-OG1 3.13Å
95T49.8Very low60.9Low126 Ų126118 Ų11877%0.77360%0.596SS**  trans-81.3-11.3-177.248.70000114.8I93I93-T95 HydrophobicContact CG2-CG2 3.92Å; I93-T95 PolarHBondContact O-N 3.03Å; I93-T95 VanDerWaalsContact O-N 3.1Å
96Q46Very low60.7Low150 Ų150118.1 Ų118.170%0.70160%0.602SS**SBendtrans-101.8132.4-179.6-75.2-176.8-22.100112.8C98Q96-C98 PolarHBondContact O-N 3.44Å
97K44.9Very low60.9Low209 Ų209121.7 Ų121.791%0.90961%0.612SS**  trans-63.578.8159.4-77.9-178.9174.81760109.4T99K97-T99 PolarHBondContact O-N 2.73Å; K97-T99 VanDerWaalsContact O-N 3.07Å
98C38.9Very low61.2Low89 Ų89121 Ų12160%0.60161%0.608SS**  trans-65.6108.1173.1-84.40000110Q96 K100Q96-C98 PolarHBondContact O-N 3.44Å; C98-K100 PolarHBondContact O-N 2.74Å
99T44.9Very low61.7Low142 Ų142115.4 Ų115.487%0.87159%0.592SS**  trans-68.5-5.8174.249.50000113.8K97K97-T99 PolarHBondContact O-N 2.73Å; K97-T99 VanDerWaalsContact O-N 3.07Å
100K46.9Very low62.7Low172 Ų172112.5 Ų112.575%0.74858%0.584SS**SBendtrans-76131.1174-64.1-176.1-179.7179.60109.4C98 N102C98-K100 PolarHBondContact O-N 2.74Å; K100-N102 PolarHBondContact O-N 2.68Å
101P51.6Low63.7Low92 Ų92110.3 Ų110.360%0.59757%0.571SS**  trans-60.5132.4-179.627.5-35.9000109.6L103 I106P101-L103 PolarHBondContact O-N 3.16Å; P101-I106 HydrophobicContact CB-CD1 3.76Å; P101-I106 HydrophobicContact CB-CG1 4.42Å; P101-I106 HydrophobicContact CG-CD1 3.73Å
102N66Low64.9Low76 Ų76107.5 Ų107.541%0.40654%0.54SS..  trans-59.7109.4-174.4-175.6-20.9000109.4K100 N104 R105 I106K100-N102 PolarHBondContact O-N 2.68Å; N102-N104 PolarHBondContact O-N 2.78Å; N102-N104 WeakPolarHBondContact OD1-CB 3.19Å; N102-N104 PolarHBondContact OD1-N 3.45Å; N102-N104 VanDerWaalsContact OD1-N 3.11Å; N102-R105 HydrophobicContact CB-CB 4.23Å; N102-R105 WeakPolarHBondContact O-CA 3.39Å; N102-R105 WeakPolarHBondContact O-CB 3.27Å; N102-R105 PolarHBondContact O-N 3.04Å; N102-I106 PolarHBondContact O-N 2.88Å; N102-I106 VanDerWaalsContact O-N 3.1Å
103L62Low66.5Low110 Ų110104.6 Ų104.658%0.57653%0.529SS*.Hα-helixtrans-54.1-30.5-175.9-73.7168.7000112.2P101 R107P101-L103 PolarHBondContact O-N 3.16Å; L103-R107 WeakPolarHBondContact O-CB 3.45Å; L103-R107 WeakPolarHBondContact O-CD 3.42Å; L103-R107 WeakPolarHBondContact O-CG 3.47Å; L103-R107 PolarHBondContact O-N 3.49Å
104N70.4Confident68.2Low65 Ų6599.6 Ų99.635%0.34850%0.503SS..Hα-helixtrans-72.3-35.2176.9-65.6-13.8000111.9N102 R107 F108N102-N104 PolarHBondContact O-N 2.78Å; N102-N104 WeakPolarHBondContact OD1-CB 3.19Å; N102-N104 PolarHBondContact OD1-N 3.45Å; N102-N104 VanDerWaalsContact OD1-N 3.11Å; N104-R107 PolarHBondContact O-N 3.24Å; N104-R107 PolarHBondContact OD1-NH1 3.32Å; N104-F108 VanDerWaalsContact O-CB 3.28Å; N104-F108 WeakPolarHBondContact O-CB 3.45Å; N104-F108 PolarHBondContact O-N 3.41Å
105R72.4Confident70.2Confident156 Ų15696.3 Ų96.359%0.58948%0.482SS*.Hα-helixtrans-68.7-39.6173.4-164.7175.8-170.6171.64.5111.7G72 N102 F108 S109G72-R105 PolarHBondContact O-NH2 2.87Å; N102-R105 HydrophobicContact CB-CB 4.23Å; N102-R105 WeakPolarHBondContact O-CA 3.39Å; N102-R105 WeakPolarHBondContact O-CB 3.27Å; N102-R105 PolarHBondContact O-N 3.04Å; R105-F108 PolarHBondContact O-N 3.02Å; R105-S109 WeakPolarHBondContact O-CB 2.77Å; R105-S109 PolarHBondContact O-N 2.93Å
106I75Confident72.4Confident84 Ų8490.5 Ų90.543%0.43145%0.447SS..Hα-helixtrans-62-49.1173.3-63.5166.6000110.6P101 N102 F108 S109 K110P101-I106 HydrophobicContact CB-CD1 3.76Å; P101-I106 HydrophobicContact CB-CG1 4.42Å; P101-I106 HydrophobicContact CG-CD1 3.73Å; N102-I106 PolarHBondContact O-N 2.88Å; N102-I106 VanDerWaalsContact O-N 3.1Å; I106-F108 VanDerWaalsContact C-N 3.3Å; I106-F108 PolarHBondContact O-N 3.48Å; I106-S109 PolarHBondContact O-N 3.16Å; I106-K110 PolarHBondContact O-N 2.81Å
107R77.7Confident74.8Confident148 Ų14888.1 Ų88.156%0.55844%0.435SS*.Hα-helixtrans-61.4-37.6177.1-72.5166.7-175.6148-3.4112.4L103 N104 V111L103-R107 WeakPolarHBondContact O-CB 3.45Å; L103-R107 WeakPolarHBondContact O-CD 3.42Å; L103-R107 WeakPolarHBondContact O-CG 3.47Å; L103-R107 PolarHBondContact O-N 3.49Å; N104-R107 PolarHBondContact O-N 3.24Å; N104-R107 PolarHBondContact OD1-NH1 3.32Å; R107-V111 WeakPolarHBondContact O-CG2 3.34Å; R107-V111 PolarHBondContact O-N 3.16Å; R107-V111 VanDerWaalsContact O-N 3.14Å
108F83.7Confident77.4Confident53 Ų5378.1 Ų78.123%0.23239%0.392CS..Hα-helixtrans-65.9-49.8176.3-169.4-92.3000111I35 N104 R105 I106 K110 V111 S112I35-F108 HydrophobicContact CB-CE2 4.23Å; I35-F108 HydrophobicContact CB-CZ 4.46Å; I35-F108 HydrophobicContact CG2-CD2 4.23Å; I35-F108 HydrophobicContact CG2-CE2 3.58Å; I35-F108 HydrophobicContact CG2-CZ 4.19Å; N104-F108 VanDerWaalsContact O-CB 3.28Å; N104-F108 WeakPolarHBondContact O-CB 3.45Å; N104-F108 PolarHBondContact O-N 3.41Å; R105-F108 PolarHBondContact O-N 3.02Å; I106-F108 VanDerWaalsContact C-N 3.3Å; I106-F108 PolarHBondContact O-N 3.48Å; F108-K110 VanDerWaalsContact C-N 3.35Å; F108-K110 PolarHBondContact O-N 3.34Å; F108-V111 PolarHBondContact O-N 2.73Å; F108-V111 VanDerWaalsContact O-N 3.1Å; F108-S112 WeakPolarHBondContact CE1-OG 3.4Å; F108-S112 PolarHBondContact O-N 3.26Å; F108-S112 PolarHBondContact O-OG 3.37Å; F108-S112 VanDerWaalsContact O-OG 3.11Å
109S85.4Confident80.1Confident63 Ų6374 Ų7444%0.44136%0.364SS..Hα-helixtrans-55-46175175.50000112.3R105 I106 V111 S112 Q113R105-S109 WeakPolarHBondContact O-CB 2.77Å; R105-S109 PolarHBondContact O-N 2.93Å; I106-S109 PolarHBondContact O-N 3.16Å; S109-V111 PolarHBondContact O-N 3.34Å; S109-S112 WeakPolarHBondContact O-CB 3.45Å; S109-S112 PolarHBondContact O-N 3.03Å; S109-Q113 WeakPolarHBondContact O-CG 3.47Å; S109-Q113 PolarHBondContact O-N 3.04Å
110K88.4Confident82.6Confident134 Ų13470.7 Ų70.758%0.58334%0.341SS*.Hα-helixtrans-57-47.3174.9-177.3177.5175.8-171.40112I106 F108 S112 Q113 E114I106-K110 PolarHBondContact O-N 2.81Å; F108-K110 VanDerWaalsContact C-N 3.35Å; F108-K110 PolarHBondContact O-N 3.34Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 3.13Å; K110-Q113 WeakPolarHBondContact O-CB 3.48Å; K110-Q113 PolarHBondContact O-N 3.21Å; K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 IonicContact NZ-OE1 2.89Å; K110-E114 WeakPolarHBondContact O-CG 3.44Å; K110-E114 PolarHBondContact O-N 3.42Å
111V91.1Very high84.9Confident17 Ų1762.6 Ų62.610%0.10331%0.306CS..Hα-helixtrans-64.5-38.5177.8163.90000111.9I35 H48 R107 F108 S109 Q113 E114 C115I35-V111 HydrophobicContact CD1-CG1 4.33Å; I35-V111 HydrophobicContact CG1-CG1 4.39Å; I35-V111 HydrophobicContact CG2-CG1 3.66Å; H48-V111 WeakPolarHBondContact CD2-CG1 3.46Å; H48-V111 VanDerWaalsContact NE2-CG1 3.29Å; H48-V111 WeakPolarHBondContact NE2-CG1 3.48Å; R107-V111 WeakPolarHBondContact O-CG2 3.34Å; R107-V111 PolarHBondContact O-N 3.16Å; R107-V111 VanDerWaalsContact O-N 3.14Å; F108-V111 PolarHBondContact O-N 2.73Å; F108-V111 VanDerWaalsContact O-N 3.1Å; S109-V111 PolarHBondContact O-N 3.34Å; V111-Q113 VanDerWaalsContact C-N 3.29Å; V111-Q113 PolarHBondContact O-N 3.06Å; V111-E114 PolarHBondContact O-N 2.86Å; V111-C115 PolarHBondContact O-N 3.28Å; V111-C115 PolarHBondContact O-SG 3.11Å; V111-C115 VanDerWaalsContact O-SG 3.38Å
112S92.7Very high87.1Confident11 Ų1158.2 Ų58.28%0.07728%0.277CS..Hα-helixtrans-60.7-39.1173.6-590000111.9F108 S109 K110 C115 I116F108-S112 WeakPolarHBondContact CE1-OG 3.4Å; F108-S112 PolarHBondContact O-N 3.26Å; F108-S112 PolarHBondContact O-OG 3.37Å; F108-S112 VanDerWaalsContact O-OG 3.11Å; S109-S112 WeakPolarHBondContact O-CB 3.45Å; S109-S112 PolarHBondContact O-N 3.03Å; K110-S112 VanDerWaalsContact C-N 3.34Å; K110-S112 PolarHBondContact O-N 3.13Å; S112-C115 WeakPolarHBondContact O-CB 3.44Å; S112-C115 PolarHBondContact O-N 2.85Å; S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 3.11Å
113Q94.3Very high88.5Confident96 Ų9654.9 Ų54.945%0.44926%0.261SS..Hα-helixtrans-67.2-38.7174.4-67.3-61.4-33.700112.7S109 K110 V111 C115 I116 Q117S109-Q113 WeakPolarHBondContact O-CG 3.47Å; S109-Q113 PolarHBondContact O-N 3.04Å; K110-Q113 WeakPolarHBondContact O-CB 3.48Å; K110-Q113 PolarHBondContact O-N 3.21Å; V111-Q113 VanDerWaalsContact C-N 3.29Å; V111-Q113 PolarHBondContact O-N 3.06Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; Q113-I116 PolarHBondContact O-N 3.49Å; Q113-Q117 WeakPolarHBondContact O-CG 3.43Å; Q113-Q117 PolarHBondContact O-N 2.98Å
114E95.3Very high90.2Very high29 Ų2949.9 Ų49.914%0.13624%0.235CC..Hα-helixtrans-62.6-40.8172.6-67.6171.2170.200111L49 K110 V111 Q117 L118 F324 H328L49-E114 HydrophobicContact CD1-CB 4.13Å; L49-E114 HydrophobicContact CD2-CB 4.04Å; K110-E114 WeakPolarHBondContact CE-OE1 3.46Å; K110-E114 IonicContact NZ-OE1 2.89Å; K110-E114 WeakPolarHBondContact O-CG 3.44Å; K110-E114 PolarHBondContact O-N 3.42Å; V111-E114 PolarHBondContact O-N 2.86Å; E114-Q117 PolarHBondContact O-N 3.44Å; E114-L118 PolarHBondContact O-N 3.49Å; E114-L118 VanDerWaalsContact O-N 3.1Å; E114-F324 HydrophobicContact CB-CZ 4.42Å; E114-F324 WeakPolarHBondContact O-CZ 3.46Å; E114-H328 IonicContact OE1-CE1 3.39Å; E114-H328 IonicContact OE1-ND1 3.56Å
115C96.6Very high91.4Very high0 Ų047.6 Ų47.60%022%0.224CC..Hα-helixtrans-63.5-40.3172.4-68.10000112.7L31 I35 L49 L52 V111 S112 Q113 L118 L119L31-C115 HydrophobicContact CD1-CB 4.47Å; L31-C115 HydrophobicContact CD2-CB 3.98Å; I35-C115 HydrophobicContact CD1-CB 4.37Å; L49-C115 HydrophobicContact CD2-CB 4.48Å; L52-C115 HydrophobicContact CD2-CB 3.59Å; V111-C115 PolarHBondContact O-N 3.28Å; V111-C115 PolarHBondContact O-SG 3.11Å; V111-C115 VanDerWaalsContact O-SG 3.38Å; S112-C115 WeakPolarHBondContact O-CB 3.44Å; S112-C115 PolarHBondContact O-N 2.85Å; Q113-C115 VanDerWaalsContact C-N 3.34Å; C115-L118 WeakPolarHBondContact O-CB 3.16Å; C115-L118 PolarHBondContact O-N 2.88Å; C115-L119 WeakPolarHBondContact O-CD1 3.43Å; C115-L119 VanDerWaalsContact O-CG 3.31Å; C115-L119 WeakPolarHBondContact O-CG 3.25Å; C115-L119 PolarHBondContact O-N 3.4Å
116I96.6Very high92.5Very high5 Ų544.4 Ų44.43%0.02621%0.212CC..Hα-helixtrans-62.3-42.9174.8-74.5163.9000111.2L70 S112 Q113 L118 L119 N120 W126L70-I116 HydrophobicContact CD1-CD1 4.06Å; L70-I116 HydrophobicContact CD1-CG1 4.17Å; L70-I116 HydrophobicContact CD2-CD1 3.76Å; L70-I116 HydrophobicContact CD2-CG1 4.16Å; S112-I116 WeakPolarHBondContact O-CG1 3.34Å; S112-I116 PolarHBondContact O-N 3.11Å; Q113-I116 PolarHBondContact O-N 3.49Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.88Å; I116-L119 PolarHBondContact O-N 3.02Å; I116-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.97Å; I116-N120 PolarHBondContact O-ND2 3.25Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å; I116-W126 HydrophobicContact CD1-CD2 4.36Å; I116-W126 HydrophobicContact CD1-CE3 4.18Å; I116-W126 HydrophobicContact CD1-CH2 4.11Å; I116-W126 HydrophobicContact CD1-CZ2 4.3Å; I116-W126 HydrophobicContact CD1-CZ3 4.05Å; I116-W126 HydrophobicContact CG1-CD2 4.14Å; I116-W126 HydrophobicContact CG1-CE3 4.39Å; I116-W126 HydrophobicContact CG2-CD2 4.4Å; I116-W126 HydrophobicContact CG2-CZ2 3.79Å
117Q97Very high93.5Very high99 Ų9941.6 Ų41.646%0.46320%0.198SC..Hα-helixtrans-59.7-41.2175.3-72.9174.6-5.100111.6Q113 E114 S121 F324Q113-Q117 WeakPolarHBondContact O-CG 3.43Å; Q113-Q117 PolarHBondContact O-N 2.98Å; E114-Q117 PolarHBondContact O-N 3.44Å; Q117-S121 PolarHBondContact O-N 2.72Å; Q117-S121 VanDerWaalsContact O-N 3.08Å; Q117-F324 HydrophobicContact CB-CD2 4.06Å; Q117-F324 HydrophobicContact CB-CE2 3.71Å
118L97.6Very high94.4Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-64-47.9174.4-17456.2000112.1L49 L52 F53 E114 C115 I116 N120 S121 F122 F324L49-L118 HydrophobicContact CD2-CD2 4.32Å; L49-L118 WeakPolarHBondContact O-CD2 3.12Å; L52-L118 HydrophobicContact CB-CD2 4.22Å; L52-L118 HydrophobicContact CD2-CD2 4.08Å; L52-L118 HydrophobicContact CG-CD2 4.04Å; F53-L118 HydrophobicContact CB-CD2 4.12Å; F53-L118 HydrophobicContact CD2-CD1 4.16Å; E114-L118 PolarHBondContact O-N 3.49Å; E114-L118 VanDerWaalsContact O-N 3.1Å; C115-L118 WeakPolarHBondContact O-CB 3.16Å; C115-L118 PolarHBondContact O-N 2.88Å; I116-L118 VanDerWaalsContact C-N 3.29Å; I116-L118 PolarHBondContact O-N 2.88Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 2.9Å; L118-S121 WeakPolarHBondContact O-CB 3.47Å; L118-S121 PolarHBondContact O-N 2.66Å; L118-S121 PolarHBondContact O-OG 3.23Å; L118-F122 HydrophobicContact CD1-CD2 4.1Å; L118-F122 HydrophobicContact CD1-CE2 3.85Å; L118-F122 HydrophobicContact CG-CD2 4.42Å; L118-F122 HydrophobicContact CG-CE2 4.38Å; L118-F122 PolarHBondContact O-N 3.06Å; L118-F324 HydrophobicContact CB-CD1 4.41Å; L118-F324 HydrophobicContact CB-CE1 3.78Å; L118-F324 HydrophobicContact CB-CZ 3.99Å; L118-F324 HydrophobicContact CD1-CD1 3.86Å; L118-F324 HydrophobicContact CD1-CE1 3.87Å; L118-F324 HydrophobicContact CD2-CE1 4.26Å; L118-F324 HydrophobicContact CG-CE1 4.19Å
119L97.4Very high95Very high2 Ų236.5 Ų36.51%0.0118%0.182CC..Hα-helixtrans-56.7-46.5176.5-72.6159.5000111.5L31 L56 A68 C115 I116 S121 F122 G123 I124 W126L31-L119 HydrophobicContact CD2-CD1 4.02Å; L56-L119 HydrophobicContact CD1-CD2 3.89Å; L56-L119 HydrophobicContact CD2-CD2 3.9Å; A68-L119 HydrophobicContact CB-CD1 3.51Å; A68-L119 HydrophobicContact CB-CD2 4.01Å; A68-L119 HydrophobicContact CB-CG 4.44Å; C115-L119 WeakPolarHBondContact O-CD1 3.43Å; C115-L119 VanDerWaalsContact O-CG 3.31Å; C115-L119 WeakPolarHBondContact O-CG 3.25Å; C115-L119 PolarHBondContact O-N 3.4Å; I116-L119 PolarHBondContact O-N 3.02Å; L119-S121 VanDerWaalsContact C-N 3.25Å; L119-S121 PolarHBondContact O-N 3.36Å; L119-F122 CarbonylContact O-C 3.57Å; L119-F122 PolarHBondContact O-N 2.87Å; L119-F122 VanDerWaalsContact O-N 3.12Å; L119-G123 PolarHBondContact O-N 3.29Å; L119-I124 HydrophobicContact CB-CB 4.39Å; L119-I124 HydrophobicContact CD2-CB 3.93Å; L119-I124 HydrophobicContact CD2-CG2 3.62Å; L119-I124 PolarHBondContact O-N 3.22Å; L119-W126 HydrophobicContact CD1-CB 4.4Å
120N96.6Very high95.4Very high72 Ų7236.6 Ų36.639%0.38518%0.181SC..Hα-helixtrans-61.1-30.4175.3-70.1-31.1000112.9I116 L118 G123 W126I116-N120 WeakPolarHBondContact CG2-ND2 3.33Å; I116-N120 WeakPolarHBondContact O-CB 3.46Å; I116-N120 PolarHBondContact O-N 2.97Å; I116-N120 PolarHBondContact O-ND2 3.25Å; I116-N120 VanDerWaalsContact O-ND2 3.16Å; L118-N120 VanDerWaalsContact C-N 3.34Å; L118-N120 PolarHBondContact O-N 2.9Å; N120-G123 PolarHBondContact O-N 3.28Å; N120-W126 PolarHBondContact OD1-NE1 3.45Å
121S96.3Very high95.7Very high2 Ų230.6 Ų30.61%0.01416%0.157CC..Hα-helixtrans-72.7-33.1175.479.70000112.8Q117 L118 L119 G123 P316 D317 F340Q117-S121 PolarHBondContact O-N 2.72Å; Q117-S121 VanDerWaalsContact O-N 3.08Å; L118-S121 WeakPolarHBondContact O-CB 3.47Å; L118-S121 PolarHBondContact O-N 2.66Å; L118-S121 PolarHBondContact O-OG 3.23Å; L119-S121 VanDerWaalsContact C-N 3.25Å; L119-S121 PolarHBondContact O-N 3.36Å; S121-G123 VanDerWaalsContact C-N 3.28Å; S121-P316 WeakPolarHBondContact O-CA 3.19Å; S121-D317 PolarHBondContact O-N 3.17Å; S121-F340 WeakPolarHBondContact O-CZ 3.33Å
122F97Very high95.9Very high0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-80.1-6.6171.8-81.6-93.1000113.4F53 L56 V57 L60 L118 L119 I124 W313 F340 V343F53-F122 AromaticContact CD2-CE2 3.66Å; F53-F122 HydrophobicContact CD2-CE2 3.66Å; F53-F122 AromaticContact CD2-CZ 3.74Å; F53-F122 HydrophobicContact CD2-CZ 3.74Å; F53-F122 HydrophobicContact CE1-CZ 4.44Å; F53-F122 AromaticContact CE2-CE2 3.88Å; F53-F122 HydrophobicContact CE2-CE2 3.88Å; F53-F122 AromaticContact CE2-CZ 3.66Å; F53-F122 HydrophobicContact CE2-CZ 3.66Å; F53-F122 HydrophobicContact CG-CE2 4.28Å; F53-F122 HydrophobicContact CG-CZ 4.15Å; F53-F122 HydrophobicContact CZ-CZ 4.03Å; L56-F122 HydrophobicContact CB-CD1 4.4Å; L56-F122 HydrophobicContact CB-CE1 4.42Å; L56-F122 HydrophobicContact CD1-CB 4.41Å; L56-F122 HydrophobicContact CD1-CD2 3.84Å; L56-F122 HydrophobicContact CD1-CE2 4.28Å; L56-F122 HydrophobicContact CD1-CG 4.12Å; V57-F122 HydrophobicContact CG2-CE1 3.78Å; V57-F122 HydrophobicContact CG2-CZ 3.86Å; L60-F122 HydrophobicContact CD1-CD1 3.97Å; L118-F122 HydrophobicContact CD1-CD2 4.1Å; L118-F122 HydrophobicContact CD1-CE2 3.85Å; L118-F122 HydrophobicContact CG-CD2 4.42Å; L118-F122 HydrophobicContact CG-CE2 4.38Å; L118-F122 PolarHBondContact O-N 3.06Å; L119-F122 CarbonylContact O-C 3.57Å; L119-F122 PolarHBondContact O-N 2.87Å; L119-F122 VanDerWaalsContact O-N 3.12Å; F122-I124 HydrophobicContact CB-CG1 3.62Å; F122-W313 PolarHBondContact O-NE1 2.9Å; F122-F340 HydrophobicContact CD1-CD2 4.31Å; F122-F340 AromaticContact CD1-CE2 3.89Å; F122-F340 HydrophobicContact CD1-CE2 3.89Å; F122-F340 AromaticContact CD2-CE2 3.94Å; F122-F340 HydrophobicContact CD2-CE2 3.94Å; F122-F340 AromaticContact CE1-CD2 3.78Å; F122-F340 HydrophobicContact CE1-CD2 3.78Å; F122-F340 AromaticContact CE1-CE2 3.83Å; F122-F340 HydrophobicContact CE1-CE2 3.83Å; F122-F340 HydrophobicContact CE2-CD2 4.06Å; F122-F340 AromaticContact CE2-CE2 3.88Å; F122-F340 HydrophobicContact CE2-CE2 3.88Å; F122-F340 AromaticContact CG-CE2 3.94Å; F122-F340 HydrophobicContact CG-CE2 3.94Å; F122-F340 AromaticContact CZ-CD2 3.65Å; F122-F340 HydrophobicContact CZ-CD2 3.65Å; F122-F340 AromaticContact CZ-CE2 3.83Å; F122-F340 HydrophobicContact CZ-CE2 3.83Å; F122-V343 HydrophobicContact CD1-CG1 4.41Å
123G95.9Very high96.1Very high7 Ų729.9 Ų29.97%0.07215%0.151CC..THydrogen-bonded Turntrans7522.4-176.600000114.5L119 N120 S121 K314L119-G123 PolarHBondContact O-N 3.29Å; N120-G123 PolarHBondContact O-N 3.28Å; S121-G123 VanDerWaalsContact C-N 3.28Å; G123-K314 PolarHBondContact O-N 3.07Å
124I96.5Very high96.2Very high4 Ų425.6 Ų25.62%0.02113%0.131CC..  trans-90130.9-171.2-60.2-64.5000111.1L56 L60 L65 P66 L119 F122 W313L56-I124 HydrophobicContact CD2-CG1 4.36Å; L56-I124 HydrophobicContact CD2-CG2 4.45Å; L60-I124 HydrophobicContact CD1-CD1 3.91Å; L60-I124 HydrophobicContact CD2-CD1 3.75Å; L60-I124 HydrophobicContact CG-CD1 4.31Å; L65-I124 HydrophobicContact CD1-CD1 4.23Å; P66-I124 HydrophobicContact CG-CD1 4.23Å; P66-I124 HydrophobicContact CG-CG2 4.03Å; P66-I124 WeakPolarHBondContact O-CG2 3.44Å; L119-I124 HydrophobicContact CB-CB 4.39Å; L119-I124 HydrophobicContact CD2-CB 3.93Å; L119-I124 HydrophobicContact CD2-CG2 3.62Å; L119-I124 PolarHBondContact O-N 3.22Å; F122-I124 HydrophobicContact CB-CG1 3.62Å; I124-W313 HydrophobicContact CD1-CG 4.37Å
125P95.8Very high96.3Very high18 Ų1824.2 Ų24.212%0.11713%0.125CC..  trans-68.1151.6177.128.7-34.2000111.5I67 A68 S309I67-P125 WeakPolarHBondContact CA-O 3.47Å; I67-P125 HydrophobicContact CB-CG 4.16Å; I67-P125 HydrophobicContact CD1-CB 4.24Å; I67-P125 HydrophobicContact CD1-CG 4.46Å; I67-P125 HydrophobicContact CG1-CB 4.17Å; I67-P125 HydrophobicContact CG1-CG 4.18Å; A68-P125 PolarHBondContact N-O 3.28Å; P125-S309 WeakPolarHBondContact CB-O 3.35Å
126W96.5Very high96.3Very high89 Ų8924.4 Ų24.434%0.33713%0.126SC..EExtended strand (participates in β ladder)trans-145.6154.2174.162.5-88.8000110.4A68 L70 I116 L119 N120 Q128A68-W126 HydrophobicContact CB-CB 3.99Å; A68-W126 CarbonylContact O-C 3.6Å; A68-W126 WeakPolarHBondContact O-CA 3.27Å; A68-W126 WeakPolarHBondContact O-CB 3.34Å; L70-W126 HydrophobicContact CD1-CB 4.27Å; L70-W126 HydrophobicContact CD1-CD2 4.18Å; L70-W126 HydrophobicContact CD1-CE3 3.47Å; L70-W126 VanDerWaalsContact CD1-CE3 3.47Å; L70-W126 HydrophobicContact CD1-CZ3 4.17Å; I116-W126 HydrophobicContact CD1-CD2 4.36Å; I116-W126 HydrophobicContact CD1-CE3 4.18Å; I116-W126 HydrophobicContact CD1-CH2 4.11Å; I116-W126 HydrophobicContact CD1-CZ2 4.3Å; I116-W126 HydrophobicContact CD1-CZ3 4.05Å; I116-W126 HydrophobicContact CG1-CD2 4.14Å; I116-W126 HydrophobicContact CG1-CE3 4.39Å; I116-W126 HydrophobicContact CG2-CD2 4.4Å; I116-W126 HydrophobicContact CG2-CZ2 3.79Å; L119-W126 HydrophobicContact CD1-CB 4.4Å; N120-W126 PolarHBondContact OD1-NE1 3.45Å; W126-Q128 HydrophobicContact CZ3-CB 4.36Å
127V96.1Very high96.4Very high24 Ų2424.1 Ų24.115%0.14512%0.124CC..EExtended strand (participates in β ladder)trans-133.8145.1175.5-71.70000112I67 A68 V69 L70 M136 L140 P305I67-V127 HydrophobicContact CD1-CG1 4.19Å; I67-V127 HydrophobicContact CD1-CG2 4.39Å; A68-V127 PolarHBondContact O-N 3.27Å; V69-V127 WeakPolarHBondContact CA-O 3.45Å; V69-V127 HydrophobicContact CG1-CG2 4.44Å; V69-V127 HydrophobicContact CG2-CG2 3.95Å; L70-V127 PolarHBondContact N-O 2.96Å; V127-M136 HydrophobicContact CG2-CG 4.19Å; V127-L140 HydrophobicContact CG2-CD1 4.37Å; V127-P305 HydrophobicContact CG1-CB 3.94Å; V127-P305 HydrophobicContact CG1-CG 3.87Å
128Q95.4Very high96.5Very high94 Ų9419.4 Ų19.444%0.43910%0.102SC..EExtended strand (participates in β ladder)trans-91.2114.9172.9-177.257.169.900108.5L70 D71 G72 W126L70-Q128 PolarHBondContact O-NE2 3.34Å; D71-Q128 PolarHBondContact O-NE2 2.98Å; G72-Q128 VanDerWaalsContact CA-NE2 3.35Å; W126-Q128 HydrophobicContact CZ3-CB 4.36Å
129S96.1Very high96.5Very high0 Ų019.8 Ų19.80%010%0.104CC..  trans-65.2142.7168.4-171.40000109.3L70 G72 G131 E132L70-S129 WeakPolarHBondContact O-CB 3.36Å; L70-S129 PolarHBondContact O-N 3.29Å; G72-S129 WeakPolarHBondContact CA-O 3.14Å; G72-S129 PolarHBondContact N-O 2.89Å; S129-G131 VanDerWaalsContact C-N 3.34Å; S129-G131 WeakPolarHBondContact CB-O 3.43Å; S129-G131 PolarHBondContact OG-N 3.26Å; S129-G131 PolarHBondContact OG-O 2.64Å; S129-E132 WeakPolarHBondContact CB-O 3.11Å; S129-E132 PolarHBondContact OG-O 2.96Å
130P95.3Very high96.5Very high66 Ų6619.7 Ų19.743%0.42910%0.103SC..SBendtrans-67.8-36.6166.3-19.533.3000111.8V73 W302V73-P130 PolarHBondContact N-O 3.29Å; P130-W302 HydrophobicContact CB-CD2 4.26Å; P130-W302 HydrophobicContact CB-CZ2 4.1Å; P130-W302 HydrophobicContact CG-CD2 3.78Å; P130-W302 HydrophobicContact CG-CE3 4.3Å; P130-W302 HydrophobicContact CG-CG 3.89Å; P130-W302 HydrophobicContact CG-CZ2 4.42Å
131G94.3Very high96.6Very high7 Ų716.4 Ų16.47%0.0729%0.086CC..SBendtrans-111.1-134.5177.700000112.1G72 S129G72-G131 WeakPolarHBondContact CA-O 3.21Å; G72-G131 PolarHBondContact N-O 3.42Å; S129-G131 VanDerWaalsContact C-N 3.34Å; S129-G131 WeakPolarHBondContact CB-O 3.43Å; S129-G131 PolarHBondContact OG-N 3.26Å; S129-G131 PolarHBondContact OG-O 2.64Å
132E94.8Very high96.6Very high13 Ų1318.2 Ų18.26%0.06110%0.098CC..  trans-69.6152.1175.8-53.1-6615300112.4A74 P75 K78 S129 E134 A135 Y207A74-E132 WeakPolarHBondContact CA-OE1 3.48Å; A74-E132 WeakPolarHBondContact CB-OE1 3.45Å; P75-E132 WeakPolarHBondContact CD-OE1 3.43Å; K78-E132 WeakPolarHBondContact CD-OE1 3.49Å; K78-E132 IonicContact NZ-OE1 3.74Å; K78-E132 PolarHBondContact NZ-OE1 3.07Å; K78-E132 IonicContact NZ-OE2 3.62Å; K78-E132 PolarHBondContact NZ-OE2 2.8Å; S129-E132 WeakPolarHBondContact CB-O 3.11Å; S129-E132 PolarHBondContact OG-O 2.96Å; E132-E134 HydrophobicContact CB-CG 4.41Å; E132-E134 WeakPolarHBondContact CB-OE1 3.44Å; E132-A135 HydrophobicContact CB-CB 4.5Å; E132-Y207 WeakPolarHBondContact CG-OH 3.49Å
133A96.6Very high96.6Very high0 Ų021.4 Ų21.40%012%0.115CC..Hα-helixtrans-69.3-40.3177.100000112.6V69 D71 A135 M136 C137V69-A133 HydrophobicContact CB-CB 4.44Å; V69-A133 HydrophobicContact CG1-CB 3.87Å; D71-A133 WeakPolarHBondContact OD1-CB 3Å; D71-A133 PolarHBondContact OD1-N 3.01Å; A133-A135 PolarHBondContact O-N 3.24Å; A133-M136 PolarHBondContact O-N 3.5Å; A133-M136 VanDerWaalsContact O-N 3.15Å; A133-C137 PolarHBondContact O-N 3.14Å; A133-C137 PolarHBondContact O-SG 3.4Å; A133-C137 VanDerWaalsContact O-SG 3.33Å
134E96.1Very high96.6Very high6 Ų627.2 Ų27.23%0.02814%0.139CC..Hα-helixtrans-60.1-33.6179.564.7-83.7-168.900112.8K78 E132 A138 D155 A156 Y159K78-E134 IonicContact NZ-OE1 3.66Å; E132-E134 HydrophobicContact CB-CG 4.41Å; E132-E134 WeakPolarHBondContact CB-OE1 3.44Å; E134-A138 WeakPolarHBondContact O-CB 3.11Å; E134-A138 PolarHBondContact O-N 2.98Å; E134-D155 HydrophobicContact CG-CB 4.21Å; E134-A156 HydrophobicContact CB-CB 4.28Å; E134-Y159 HydrophobicContact CG-CD2 3.82Å; E134-Y159 HydrophobicContact CG-CE2 3.83Å
135A97.2Very high96.6Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-64.2-49.4174.400000111.8E132 A133 A138 F139 Y159 W302E132-A135 HydrophobicContact CB-CB 4.5Å; A133-A135 PolarHBondContact O-N 3.24Å; A135-A138 PolarHBondContact O-N 2.66Å; A135-F139 HydrophobicContact CB-CE2 4.28Å; A135-F139 WeakPolarHBondContact O-CD2 3.28Å; A135-F139 VanDerWaalsContact O-CG 3.25Å; A135-F139 WeakPolarHBondContact O-CG 3.4Å; A135-F139 PolarHBondContact O-N 2.71Å; A135-Y159 HydrophobicContact CB-CD1 3.54Å; A135-Y159 HydrophobicContact CB-CD2 3.92Å; A135-Y159 HydrophobicContact CB-CE1 3.45Å; A135-Y159 VanDerWaalsContact CB-CE1 3.45Å; A135-Y159 HydrophobicContact CB-CE2 3.84Å; A135-Y159 HydrophobicContact CB-CG 3.78Å; A135-W302 HydrophobicContact CB-CH2 3.96Å; A135-W302 HydrophobicContact CB-CZ3 4.03Å
136M97.7Very high96.7Very high4 Ų427.5 Ų27.52%0.0214%0.14CC..Hα-helixtrans-65.1-42.4177.6177.662.470.900111.1V69 V127 A133 A138 F139 L140 W302 L304V69-M136 HydrophobicContact CG1-CB 3.74Å; V69-M136 HydrophobicContact CG1-CG 3.74Å; V127-M136 HydrophobicContact CG2-CG 4.19Å; A133-M136 PolarHBondContact O-N 3.5Å; A133-M136 VanDerWaalsContact O-N 3.15Å; M136-A138 PolarHBondContact O-N 2.95Å; M136-F139 PolarHBondContact O-N 3.45Å; M136-L140 HydrophobicContact CG-CD1 4.45Å; M136-L140 VanDerWaalsContact O-CG 3.31Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 2.79Å; M136-L140 HydrophobicContact SD-CD2 4.41Å; M136-L140 HydrophobicContact SD-CG 4.3Å; M136-W302 HydrophobicContact CB-CZ3 4.4Å; M136-W302 HydrophobicContact CE-CE3 3.88Å; M136-W302 HydrophobicContact CE-CZ3 4.29Å; M136-L304 HydrophobicContact CE-CD2 4.44Å; M136-L304 HydrophobicContact SD-CD2 3.77Å
137C98.2Very high96.7Very high0 Ų027.4 Ų27.40%015%0.145CC..Hα-helixtrans-53.2-51.5171.7-71.50000111.5A28 V69 A133 F139 L140 N141 C149A28-C137 HydrophobicContact CB-CB 4.1Å; V69-C137 VanDerWaalsContact CG2-SG 3.56Å; A133-C137 PolarHBondContact O-N 3.14Å; A133-C137 PolarHBondContact O-SG 3.4Å; A133-C137 VanDerWaalsContact O-SG 3.33Å; C137-F139 VanDerWaalsContact C-N 3.34Å; C137-F139 PolarHBondContact O-N 3.31Å; C137-L140 PolarHBondContact O-N 2.96Å; C137-N141 PolarHBondContact O-N 3.18Å; C137-C149 HydrophobicContact CB-CB 4.2Å; C137-C149 PolarHBondContact O-SG 3.49Å
138A98.3Very high96.7Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-59.7-40.7178.100000113E134 A135 M136 N141 S142 A161E134-A138 WeakPolarHBondContact O-CB 3.11Å; E134-A138 PolarHBondContact O-N 2.98Å; A135-A138 PolarHBondContact O-N 2.66Å; M136-A138 PolarHBondContact O-N 2.95Å; A138-N141 PolarHBondContact O-N 3.15Å; A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.19Å; A138-S142 PolarHBondContact O-OG 2.96Å; A138-A161 HydrophobicContact CB-CB 3.94Å
139F98Very high96.9Very high7 Ų721.8 Ų21.83%0.03112%0.118CC..Hα-helixtrans-68.7-38.7176.5-62-38.7000113A135 M136 C137 N141 S142 N143 Y159 F297 W302 L304A135-F139 HydrophobicContact CB-CE2 4.28Å; A135-F139 WeakPolarHBondContact O-CD2 3.28Å; A135-F139 VanDerWaalsContact O-CG 3.25Å; A135-F139 WeakPolarHBondContact O-CG 3.4Å; A135-F139 PolarHBondContact O-N 2.71Å; M136-F139 PolarHBondContact O-N 3.45Å; C137-F139 VanDerWaalsContact C-N 3.34Å; C137-F139 PolarHBondContact O-N 3.31Å; F139-N141 VanDerWaalsContact C-N 3.31Å; F139-N141 PolarHBondContact O-N 3.48Å; F139-S142 WeakPolarHBondContact CA-OG 3.4Å; F139-S142 PolarHBondContact O-OG 3.28Å; F139-N143 WeakPolarHBondContact O-CB 3.1Å; F139-N143 PolarHBondContact O-N 3.44Å; F139-N143 VanDerWaalsContact O-N 3.16Å; F139-N143 PolarHBondContact O-ND2 3.28Å; F139-Y159 HydrophobicContact CZ-CD1 4.44Å; F139-F297 HydrophobicContact CB-CB 4.28Å; F139-F297 HydrophobicContact CD1-CB 4.15Å; F139-F297 HydrophobicContact CD2-CB 3.72Å; F139-F297 HydrophobicContact CE1-CB 4.43Å; F139-F297 HydrophobicContact CE2-CB 4.02Å; F139-F297 HydrophobicContact CG-CB 3.8Å; F139-F297 HydrophobicContact CZ-CB 4.38Å; F139-W302 AromaticContact CD2-CE3 3.77Å; F139-W302 HydrophobicContact CD2-CE3 3.77Å; F139-W302 AromaticContact CD2-CZ3 3.83Å; F139-W302 HydrophobicContact CD2-CZ3 3.83Å; F139-W302 AromaticContact CE2-CE3 3.72Å; F139-W302 HydrophobicContact CE2-CE3 3.72Å; F139-W302 HydrophobicContact CE2-CH2 4.41Å; F139-W302 AromaticContact CE2-CZ3 3.64Å; F139-W302 HydrophobicContact CE2-CZ3 3.64Å; F139-L304 HydrophobicContact CB-CD2 3.96Å
140L98Very high96.9Very high0 Ų021.9 Ų21.90%012%0.118CC..Hα-helixtrans-60.2-42172.4-65.8176000111.3A28 I67 V69 V127 M136 C137 K144 L145 V146 P305 I310A28-L140 HydrophobicContact CB-CD1 4.03Å; I67-L140 HydrophobicContact CG2-CD1 4.32Å; V69-L140 HydrophobicContact CG2-CD1 4.08Å; V127-L140 HydrophobicContact CG2-CD1 4.37Å; M136-L140 HydrophobicContact CG-CD1 4.45Å; M136-L140 VanDerWaalsContact O-CG 3.31Å; M136-L140 WeakPolarHBondContact O-CG 3.39Å; M136-L140 PolarHBondContact O-N 2.79Å; M136-L140 HydrophobicContact SD-CD2 4.41Å; M136-L140 HydrophobicContact SD-CG 4.3Å; C137-L140 PolarHBondContact O-N 2.96Å; L140-K144 PolarHBondContact O-N 3.03Å; L140-L145 HydrophobicContact CB-CB 4.49Å; L140-L145 HydrophobicContact CD2-CB 4.32Å; L140-L145 HydrophobicContact CD2-CD1 3.8Å; L140-L145 WeakPolarHBondContact O-CB 3.43Å; L140-L145 PolarHBondContact O-N 3.37Å; L140-V146 HydrophobicContact CB-CG1 4.28Å; L140-V146 HydrophobicContact CB-CG2 3.82Å; L140-V146 PolarHBondContact O-N 2.84Å; L140-P305 HydrophobicContact CD2-CG 3.52Å; L140-I310 HydrophobicContact CD2-CD1 4.22Å
141N97.9Very high96.9Very high3 Ų318.9 Ų18.92%0.01610%0.098CC..Hα-helixtrans-75.2-46.4-175.9-177.4-129.3000113.4C137 A138 F139 N143 K144 V146 D147 A148 C149 E162 T163C137-N141 PolarHBondContact O-N 3.18Å; A138-N141 PolarHBondContact O-N 3.15Å; F139-N141 VanDerWaalsContact C-N 3.31Å; F139-N141 PolarHBondContact O-N 3.48Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.45Å; N141-K144 PolarHBondContact O-N 3.47Å; N141-V146 WeakPolarHBondContact CA-O 3.22Å; N141-V146 HydrophobicContact CB-CG2 3.87Å; N141-V146 PolarHBondContact ND2-O 2.94Å; N141-D147 PolarHBondContact ND2-O 2.86Å; N141-A148 PolarHBondContact ND2-N 3.05Å; N141-C149 VanDerWaalsContact CB-SG 3.55Å; N141-E162 WeakPolarHBondContact OD1-CA 3.32Å; N141-E162 PolarHBondContact OD1-N 2.85Å; N141-T163 PolarHBondContact OD1-N 3.48Å
142S97.4Very high96.9Very high40 Ų4021.8 Ų21.828%0.2811%0.112SC..Hα-helixtrans-62.5-30.817650.70000113A138 F139 K144A138-S142 WeakPolarHBondContact O-CB 3.49Å; A138-S142 PolarHBondContact O-N 3.19Å; A138-S142 PolarHBondContact O-OG 2.96Å; F139-S142 WeakPolarHBondContact CA-OG 3.4Å; F139-S142 PolarHBondContact O-OG 3.28Å; S142-K144 VanDerWaalsContact C-N 3.28Å; S142-K144 PolarHBondContact O-N 2.71Å
143N96.9Very high96.9Very high67 Ų6721.4 Ų21.436%0.35811%0.111SC..THydrogen-bonded Turntrans-86.911.5174.5-69.7-90.8000113.9F139 N141 L145 F297 L304F139-N143 WeakPolarHBondContact O-CB 3.1Å; F139-N143 PolarHBondContact O-N 3.44Å; F139-N143 VanDerWaalsContact O-N 3.16Å; F139-N143 PolarHBondContact O-ND2 3.28Å; N141-N143 VanDerWaalsContact C-N 3.26Å; N141-N143 PolarHBondContact O-N 3.45Å; N143-L145 HydrophobicContact CB-CD1 4.39Å; N143-L145 HydrophobicContact CB-CG 4.23Å; N143-L145 PolarHBondContact O-N 2.92Å; N143-L145 VanDerWaalsContact O-N 3.16Å; N143-F297 WeakPolarHBondContact ND2-CE1 3.49Å; N143-F297 VanDerWaalsContact OD1-CE1 3.27Å; N143-F297 WeakPolarHBondContact OD1-CE1 3.37Å; N143-L304 HydrophobicContact CB-CD1 4.11Å
144K96Very high96.8Very high129 Ų12921.5 Ų21.556%0.56111%0.111SC*.THydrogen-bonded Turntrans58.525177.9-47-59.5168.8-175.10114.5L140 N141 S142 E162L140-K144 PolarHBondContact O-N 3.03Å; N141-K144 PolarHBondContact O-N 3.47Å; S142-K144 VanDerWaalsContact C-N 3.28Å; S142-K144 PolarHBondContact O-N 2.71Å; K144-E162 WeakPolarHBondContact CE-OE1 3.5Å; K144-E162 IonicContact NZ-OE1 3.93Å; K144-E162 PolarHBondContact NZ-OE1 3.45Å; K144-E162 IonicContact NZ-OE2 2.64Å; K144-E162 PolarHBondContact NZ-OE2 3.06Å
145L96.5Very high96.8Very high27 Ų2721.2 Ų21.214%0.14111%0.11CC..SBendtrans-82.5-26.9173.9-58.3175.5000111.7L140 N143 L304 Q307 I310L140-L145 HydrophobicContact CB-CB 4.49Å; L140-L145 HydrophobicContact CD2-CB 4.32Å; L140-L145 HydrophobicContact CD2-CD1 3.8Å; L140-L145 WeakPolarHBondContact O-CB 3.43Å; L140-L145 PolarHBondContact O-N 3.37Å; N143-L145 HydrophobicContact CB-CD1 4.39Å; N143-L145 HydrophobicContact CB-CG 4.23Å; N143-L145 PolarHBondContact O-N 2.92Å; N143-L145 VanDerWaalsContact O-N 3.16Å; L145-L304 HydrophobicContact CD1-CB 4.09Å; L145-L304 HydrophobicContact CD1-CD1 3.98Å; L145-Q307 VanDerWaalsContact CA-OE1 3.29Å; L145-Q307 HydrophobicContact CD2-CB 4.35Å; L145-Q307 PolarHBondContact O-OE1 3.21Å; L145-I310 HydrophobicContact CB-CD1 3.63Å; L145-I310 HydrophobicContact CD1-CD1 3.9Å; L145-I310 HydrophobicContact CD2-CD1 4.19Å; L145-I310 HydrophobicContact CG-CD1 4.11Å
146V97Very high96.8Very high2 Ų221.2 Ų21.21%0.01211%0.11CC..SBendtrans-133.6152.1168.3-57.30000111.1S26 A28 I67 L140 N141 I310S26-V146 WeakPolarHBondContact OG-CA 3.26Å; A28-V146 HydrophobicContact CB-CG1 4.35Å; A28-V146 HydrophobicContact CB-CG2 3.88Å; I67-V146 HydrophobicContact CG2-CG1 3.66Å; L140-V146 HydrophobicContact CB-CG1 4.28Å; L140-V146 HydrophobicContact CB-CG2 3.82Å; L140-V146 PolarHBondContact O-N 2.84Å; N141-V146 WeakPolarHBondContact CA-O 3.22Å; N141-V146 HydrophobicContact CB-CG2 3.87Å; N141-V146 PolarHBondContact ND2-O 2.94Å; V146-I310 HydrophobicContact CG1-CG2 3.98Å
147D96.5Very high96.8Very high86 Ų8621 Ų2146%0.4611%0.109SC..SBendtrans-77-32-179.8-57.6-72.1000113D25 S26 N141D25-D147 HydrophobicContact CB-CB 4.2Å; S26-D147 WeakPolarHBondContact CB-OD2 3.43Å; S26-D147 PolarHBondContact N-OD2 3.03Å; S26-D147 WeakPolarHBondContact O-CB 3.3Å; S26-D147 PolarHBondContact O-N 2.92Å; S26-D147 PolarHBondContact OG-N 2.9Å; S26-D147 PolarHBondContact OG-OD2 3.47Å; N141-D147 PolarHBondContact ND2-O 2.86Å
148A97.4Very high96.8Very high0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-152.5164.2178.600000114.7S26 V27 A28 N141 T163 Y165S26-A148 PolarHBondContact O-N 3.26Å; V27-A148 CarbonylContact C-O 3.57Å; V27-A148 VanDerWaalsContact CA-O 3.28Å; V27-A148 WeakPolarHBondContact CA-O 3.36Å; V27-A148 HydrophobicContact CG1-CB 4.28Å; A28-A148 PolarHBondContact N-O 2.96Å; N141-A148 PolarHBondContact ND2-N 3.05Å; A148-T163 WeakPolarHBondContact CA-O 3.4Å; A148-T163 HydrophobicContact CB-CG2 3.68Å; A148-Y165 HydrophobicContact CB-CD1 3.81Å; A148-Y165 HydrophobicContact CB-CD2 3.9Å; A148-Y165 HydrophobicContact CB-CE1 3.61Å; A148-Y165 HydrophobicContact CB-CE2 3.72Å; A148-Y165 HydrophobicContact CB-CG 3.95Å
149C97.8Very high96.8Very high0 Ų021.1 Ų21.10%011%0.11CC..EExtended strand (participates in β ladder)trans-106.5118172-57.60000110.9A28 C137 N141 T151 T163 V164 Y165A28-C149 CarbonylContact O-C 3.56Å; A28-C149 WeakPolarHBondContact O-CA 3.48Å; C137-C149 HydrophobicContact CB-CB 4.2Å; C137-C149 PolarHBondContact O-SG 3.49Å; N141-C149 VanDerWaalsContact CB-SG 3.55Å; C149-T151 HydrophobicContact CB-CG2 4.43Å; C149-T151 PolarHBondContact O-N 3.01Å; C149-T163 PolarHBondContact N-O 3.36Å; C149-V164 HydrophobicContact CB-CG2 4.49Å; C149-V164 CarbonylContact O-C 3.18Å; C149-V164 WeakPolarHBondContact O-CA 3.36Å; C149-Y165 PolarHBondContact O-N 2.88Å
150I96.9Very high96.8Very high3 Ų321.8 Ų21.82%0.01512%0.118CC..EExtended strand (participates in β ladder)trans-83.4105.5168.3-61.9174.5000109V27 A28 V29 D30 W34 L59 Y165 F168V27-I150 HydrophobicContact CB-CD1 4.02Å; V27-I150 HydrophobicContact CB-CG1 4.16Å; V27-I150 HydrophobicContact CG1-CD1 4.45Å; V27-I150 HydrophobicContact CG2-CD1 3.62Å; V27-I150 HydrophobicContact CG2-CG1 4.3Å; A28-I150 PolarHBondContact O-N 2.99Å; V29-I150 HydrophobicContact CG2-CB 4.29Å; V29-I150 HydrophobicContact CG2-CD1 4.17Å; D30-I150 PolarHBondContact N-O 3.32Å; D30-I150 VanDerWaalsContact N-O 3.16Å; W34-I150 HydrophobicContact CZ2-CG2 3.95Å; L59-I150 HydrophobicContact CD1-CD1 4.44Å; L59-I150 HydrophobicContact CD2-CD1 4.04Å; I150-Y165 WeakPolarHBondContact CA-O 3.27Å; I150-Y165 HydrophobicContact CG1-CD2 4.06Å; I150-Y165 HydrophobicContact CG1-CG 4.4Å; I150-F168 HydrophobicContact CD1-CD2 4.24Å; I150-F168 HydrophobicContact CD1-CE2 4.48Å; I150-F168 HydrophobicContact CG2-CB 4.06Å; I150-F168 HydrophobicContact CG2-CG 4.46Å
151T96Very high96.8Very high2 Ų221.8 Ų21.81%0.01212%0.118CC..  trans-154.1152.9176.9179.20000111I33 C149 D153 A156 V164 Y165 R166I33-T151 WeakPolarHBondContact CD1-OG1 3.22Å; C149-T151 HydrophobicContact CB-CG2 4.43Å; C149-T151 PolarHBondContact O-N 3.01Å; T151-D153 PolarHBondContact OG1-N 2.91Å; T151-A156 HydrophobicContact CG2-CB 3.84Å; T151-V164 HydrophobicContact CG2-CG1 3.74Å; T151-Y165 PolarHBondContact N-O 3.38Å; T151-Y165 VanDerWaalsContact N-O 3.16Å; T151-R166 WeakPolarHBondContact O-CA 3.39Å
152N94Very high96.8Very high68 Ų6825.3 Ų25.336%0.36414%0.135SC..SBendtrans-99.5-2.9169.4-68.7-43.3000112.2W7 I33 H167W7-N152 PolarHBondContact NE1-O 2.78Å; I33-N152 HydrophobicContact CG2-CB 4.31Å; N152-H167 PolarHBondContact OD1-N 3.26Å
153D94.4Very high96.8Very high6 Ų624.2 Ų24.23%0.03213%0.127CC..  trans-88136.5177.3-153.3-53.6000111.1M1 G2 I33 T151 D155M1-D153 WeakPolarHBondContact CB-OD2 3.42Å; G2-D153 WeakPolarHBondContact CA-OD1 3.37Å; G2-D153 PolarHBondContact N-OD1 2.97Å; G2-D153 PolarHBondContact N-OD2 3.29Å; G2-D153 VanDerWaalsContact N-OD2 3.15Å; I33-D153 HydrophobicContact CD1-CB 3.68Å; T151-D153 PolarHBondContact OG1-N 2.91Å; D153-D155 VanDerWaalsContact C-N 3.35Å; D153-D155 WeakPolarHBondContact OD1-CB 3.4Å; D153-D155 PolarHBondContact OD1-N 2.91Å
154G94.4Very high96.9Very high1 Ų121 Ų211%0.0111%0.11CC..SBendtrans-79.2-20.5-179.500000113.1W7 A156 F157W7-G154 VanDerWaalsContact CZ2-CA 3.44Å; G154-A156 PolarHBondContact O-N 3.43Å; G154-A156 VanDerWaalsContact O-N 3.13Å; G154-F157 PolarHBondContact O-N 3.41Å
155D96.3Very high96.9Very high0 Ų015.3 Ų15.30%09%0.085CC..Hα-helixtrans-66.9-17.5-174.2-72.710.7000112.1G2 V3 E134 D153 F157 L158 Y159 F293G2-D155 WeakPolarHBondContact CA-OD1 3.38Å; G2-D155 WeakPolarHBondContact CA-OD2 3.31Å; V3-D155 WeakPolarHBondContact CG2-OD1 3.42Å; V3-D155 PolarHBondContact N-OD1 3.23Å; E134-D155 HydrophobicContact CG-CB 4.21Å; D153-D155 VanDerWaalsContact C-N 3.35Å; D153-D155 WeakPolarHBondContact OD1-CB 3.4Å; D153-D155 PolarHBondContact OD1-N 2.91Å; D155-F157 VanDerWaalsContact C-N 3.25Å; D155-F157 PolarHBondContact O-N 2.94Å; D155-L158 CarbonylContact O-C 3.52Å; D155-L158 WeakPolarHBondContact O-CA 3.34Å; D155-L158 WeakPolarHBondContact O-CB 3.31Å; D155-L158 PolarHBondContact O-N 3.28Å; D155-Y159 VanDerWaalsContact O-CD2 3.31Å; D155-Y159 WeakPolarHBondContact O-CD2 3.46Å; D155-Y159 PolarHBondContact O-N 3.2Å; D155-F293 HydrophobicContact CB-CE1 3.99Å; D155-F293 HydrophobicContact CB-CZ 4.32Å
156A97.5Very high96.9Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-55.1-36.9167.900000113.2E134 T151 G154 Y159 G160 A161 V164E134-A156 HydrophobicContact CB-CB 4.28Å; T151-A156 HydrophobicContact CG2-CB 3.84Å; G154-A156 PolarHBondContact O-N 3.43Å; G154-A156 VanDerWaalsContact O-N 3.13Å; A156-Y159 PolarHBondContact O-N 3.28Å; A156-G160 PolarHBondContact O-N 3Å; A156-G160 VanDerWaalsContact O-N 3.11Å; A156-A161 HydrophobicContact CB-CB 4.16Å; A156-A161 VanDerWaalsContact O-CB 3.22Å; A156-A161 WeakPolarHBondContact O-CB 3.36Å; A156-A161 PolarHBondContact O-N 2.94Å; A156-V164 HydrophobicContact CB-CG2 4.28Å
157F98.1Very high96.6Very high0 Ų019.9 Ų19.90%010%0.103CC..Hα-helixtrans-70.8-36173.6-78.3-63.9000112.2W7 L10 G154 D155 Y159 G160 A161 V164 F180 M182 I185 L196W7-F157 HydrophobicContact CH2-CD2 4.43Å; W7-F157 HydrophobicContact CH2-CE2 4.15Å; W7-F157 HydrophobicContact CZ3-CE2 4.26Å; L10-F157 HydrophobicContact CD1-CD2 4.14Å; L10-F157 HydrophobicContact CD1-CE2 4.2Å; G154-F157 PolarHBondContact O-N 3.41Å; D155-F157 VanDerWaalsContact C-N 3.25Å; D155-F157 PolarHBondContact O-N 2.94Å; F157-Y159 VanDerWaalsContact C-N 3.29Å; F157-Y159 PolarHBondContact O-N 3.31Å; F157-G160 WeakPolarHBondContact O-CA 3.44Å; F157-G160 PolarHBondContact O-N 2.94Å; F157-A161 VanDerWaalsContact CD1-O 3.27Å; F157-A161 WeakPolarHBondContact CD1-O 3.35Å; F157-V164 HydrophobicContact CD1-CG2 4.25Å; F157-V164 HydrophobicContact CD2-CG2 4.06Å; F157-V164 HydrophobicContact CE1-CB 4.38Å; F157-V164 HydrophobicContact CE1-CG2 3.8Å; F157-V164 HydrophobicContact CE2-CB 3.69Å; F157-V164 HydrophobicContact CE2-CG1 4.34Å; F157-V164 HydrophobicContact CE2-CG2 3.6Å; F157-V164 HydrophobicContact CG-CG2 4.35Å; F157-V164 HydrophobicContact CZ-CB 3.58Å; F157-V164 HydrophobicContact CZ-CG2 3.45Å; F157-V164 VanDerWaalsContact CZ-CG2 3.45Å; F157-F180 HydrophobicContact CE2-CB 3.9Å; F157-F180 HydrophobicContact CZ-CB 3.55Å; F157-M182 HydrophobicContact CD1-CB 4.31Å; F157-M182 HydrophobicContact CD1-SD 3.91Å; F157-M182 HydrophobicContact CE1-CB 4.16Å; F157-M182 HydrophobicContact CE1-SD 4.5Å; F157-I185 HydrophobicContact CD1-CD1 3.91Å; F157-I185 HydrophobicContact CD2-CD1 4.22Å; F157-I185 HydrophobicContact CE1-CD1 3.72Å; F157-I185 HydrophobicContact CE2-CD1 4.02Å; F157-I185 HydrophobicContact CG-CD1 4.18Å; F157-I185 HydrophobicContact CZ-CD1 3.77Å; F157-L196 HydrophobicContact CB-CD1 3.77Å
158L97.9Very high96.2Very high0 Ų017 Ų170%09%0.087CC..Hα-helixtrans-67.4-31.8176.4-78.667.8000111.2V3 L6 D155 G160 K193 L196 V197 F293V3-L158 HydrophobicContact CG2-CD1 3.85Å; V3-L158 HydrophobicContact CG2-CD2 3.52Å; V3-L158 HydrophobicContact CG2-CG 4.36Å; L6-L158 HydrophobicContact CD2-CD1 4.08Å; D155-L158 CarbonylContact O-C 3.52Å; D155-L158 WeakPolarHBondContact O-CA 3.34Å; D155-L158 WeakPolarHBondContact O-CB 3.31Å; D155-L158 PolarHBondContact O-N 3.28Å; L158-G160 VanDerWaalsContact C-N 3.34Å; L158-K193 WeakPolarHBondContact O-CE 3.37Å; L158-L196 HydrophobicContact CD1-CB 3.9Å; L158-L196 HydrophobicContact CG-CB 4.19Å; L158-V197 HydrophobicContact CB-CG2 4.05Å; L158-V197 HydrophobicContact CD2-CG2 4.34Å; L158-V197 HydrophobicContact CG-CG2 4.04Å; L158-F293 HydrophobicContact CB-CB 4.42Å; L158-F293 HydrophobicContact CB-CD1 3.47Å; L158-F293 VanDerWaalsContact CB-CD1 3.47Å; L158-F293 HydrophobicContact CB-CD2 4.33Å; L158-F293 HydrophobicContact CB-CE1 3.61Å; L158-F293 HydrophobicContact CB-CE2 4.43Å; L158-F293 HydrophobicContact CB-CG 3.85Å; L158-F293 HydrophobicContact CB-CZ 4.09Å; L158-F293 HydrophobicContact CD2-CD1 4.42Å; L158-F293 HydrophobicContact CD2-CD2 4.06Å; L158-F293 HydrophobicContact CD2-CE1 4.05Å; L158-F293 HydrophobicContact CD2-CE2 3.63Å; L158-F293 HydrophobicContact CD2-CG 4.41Å; L158-F293 HydrophobicContact CD2-CZ 3.63Å
159Y98Very high95.6Very high2 Ų218.7 Ų18.71%0.00810%0.098CC..Hα-helixtrans-74.9-19.6168.7-80.5-70.8000114E134 A135 F139 D155 A156 F157 K193 Y207 E292 F293E134-Y159 HydrophobicContact CG-CD2 3.82Å; E134-Y159 HydrophobicContact CG-CE2 3.83Å; A135-Y159 HydrophobicContact CB-CD1 3.54Å; A135-Y159 HydrophobicContact CB-CD2 3.92Å; A135-Y159 HydrophobicContact CB-CE1 3.45Å; A135-Y159 VanDerWaalsContact CB-CE1 3.45Å; A135-Y159 HydrophobicContact CB-CE2 3.84Å; A135-Y159 HydrophobicContact CB-CG 3.78Å; F139-Y159 HydrophobicContact CZ-CD1 4.44Å; D155-Y159 VanDerWaalsContact O-CD2 3.31Å; D155-Y159 WeakPolarHBondContact O-CD2 3.46Å; D155-Y159 PolarHBondContact O-N 3.2Å; A156-Y159 PolarHBondContact O-N 3.28Å; F157-Y159 VanDerWaalsContact C-N 3.29Å; F157-Y159 PolarHBondContact O-N 3.31Å; Y159-K193 VanDerWaalsContact C-CE 3.41Å; Y159-K193 WeakPolarHBondContact O-CE 3.38Å; Y159-K193 PolarHBondContact O-NZ 2.9Å; Y159-Y207 PolarHBondContact OH-OH 3.01Å; Y159-E292 WeakPolarHBondContact CE1-O 3.48Å; Y159-E292 PolarHBondContact OH-OE1 3.13Å; Y159-F293 HydrophobicContact CD1-CD1 4.24Å; Y159-F293 AromaticContact CD2-CD1 3.87Å; Y159-F293 HydrophobicContact CD2-CD1 3.87Å; Y159-F293 AromaticContact CD2-CE1 3.92Å; Y159-F293 HydrophobicContact CD2-CE1 3.92Å; Y159-F293 HydrophobicContact CE1-CD1 4.17Å; Y159-F293 AromaticContact CE2-CD1 3.78Å; Y159-F293 HydrophobicContact CE2-CD1 3.78Å; Y159-F293 AromaticContact CE2-CE1 3.63Å; Y159-F293 HydrophobicContact CE2-CE1 3.63Å; Y159-F293 HydrophobicContact CG-CD1 4.09Å; Y159-F293 AromaticContact CZ-CD1 3.93Å
160G97.6Very high94.8Very high21 Ų2122.1 Ų22.122%0.21612%0.115CC..THydrogen-bonded Turntrans10826.6173.500000115.4A156 F157 L158A156-G160 PolarHBondContact O-N 3Å; A156-G160 VanDerWaalsContact O-N 3.11Å; F157-G160 WeakPolarHBondContact O-CA 3.44Å; F157-G160 PolarHBondContact O-N 2.94Å; L158-G160 VanDerWaalsContact C-N 3.34Å
161A98.3Very high93.9Very high0 Ų025.7 Ų25.70%013%0.134CC..  trans-60.2136167.500000110.4A138 A156 F157 V164A138-A161 HydrophobicContact CB-CB 3.94Å; A156-A161 HydrophobicContact CB-CB 4.16Å; A156-A161 VanDerWaalsContact O-CB 3.22Å; A156-A161 WeakPolarHBondContact O-CB 3.36Å; A156-A161 PolarHBondContact O-N 2.94Å; F157-A161 VanDerWaalsContact CD1-O 3.27Å; F157-A161 WeakPolarHBondContact CD1-O 3.35Å; A161-V164 HydrophobicContact CB-CG2 3.83Å
162E98.2Very high92.8Very high77 Ų7731.2 Ų31.236%0.3617%0.173SC..SBendtrans-89.7-31.7178.1-72.5-176-131.700112.7N141 K144 H181 M182N141-E162 WeakPolarHBondContact OD1-CA 3.32Å; N141-E162 PolarHBondContact OD1-N 2.85Å; K144-E162 WeakPolarHBondContact CE-OE1 3.5Å; K144-E162 IonicContact NZ-OE1 3.93Å; K144-E162 PolarHBondContact NZ-OE1 3.45Å; K144-E162 IonicContact NZ-OE2 2.64Å; K144-E162 PolarHBondContact NZ-OE2 3.06Å; E162-H181 CarbonylContact O-C 3.22Å; E162-H181 WeakPolarHBondContact O-CA 3.2Å; E162-M182 PolarHBondContact O-N 3.45Å
163T98.1Very high91.8Very high18 Ų1837 Ų3711%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-135.2122.9178.7-60.20000110.7N141 A148 C149 Y165 V179 F180 H181N141-T163 PolarHBondContact OD1-N 3.48Å; A148-T163 WeakPolarHBondContact CA-O 3.4Å; A148-T163 HydrophobicContact CB-CG2 3.68Å; C149-T163 PolarHBondContact N-O 3.36Å; T163-Y165 HydrophobicContact CG2-CD1 3.99Å; T163-Y165 HydrophobicContact CG2-CE1 3.5Å; T163-Y165 VanDerWaalsContact CG2-CE1 3.5Å; T163-V179 HydrophobicContact CG2-CG1 4.15Å; T163-F180 WeakPolarHBondContact CA-O 3.14Å; T163-H181 WeakPolarHBondContact CG2-ND1 3.31Å; T163-H181 PolarHBondContact OG1-CE1 2.69Å; T163-H181 PolarHBondContact OG1-ND1 3.47Å
164V98.1Very high91Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-120.9132.8-179.6177.90000110.8W7 C149 T151 A156 F157 A161 F180W7-V164 HydrophobicContact CH2-CG1 4.25Å; C149-V164 HydrophobicContact CB-CG2 4.49Å; C149-V164 CarbonylContact O-C 3.18Å; C149-V164 WeakPolarHBondContact O-CA 3.36Å; T151-V164 HydrophobicContact CG2-CG1 3.74Å; A156-V164 HydrophobicContact CB-CG2 4.28Å; F157-V164 HydrophobicContact CD1-CG2 4.25Å; F157-V164 HydrophobicContact CD2-CG2 4.06Å; F157-V164 HydrophobicContact CE1-CB 4.38Å; F157-V164 HydrophobicContact CE1-CG2 3.8Å; F157-V164 HydrophobicContact CE2-CB 3.69Å; F157-V164 HydrophobicContact CE2-CG1 4.34Å; F157-V164 HydrophobicContact CE2-CG2 3.6Å; F157-V164 HydrophobicContact CG-CG2 4.35Å; F157-V164 HydrophobicContact CZ-CB 3.58Å; F157-V164 HydrophobicContact CZ-CG2 3.45Å; F157-V164 VanDerWaalsContact CZ-CG2 3.45Å; A161-V164 HydrophobicContact CB-CG2 3.83Å; V164-F180 PolarHBondContact N-O 3.42Å; V164-F180 PolarHBondContact O-N 3.31Å
165Y96.7Very high90.6Very high9 Ų942.3 Ų42.34%0.03522%0.222CC..EExtended strand (participates in β ladder)trans-110.4100.7-178.4-78.810.6000109.1I22 D25 V27 A148 C149 I150 T151 T163 V177 V179I22-Y165 HydrophobicContact CB-CE2 4Å; I22-Y165 HydrophobicContact CD1-CD2 4.21Å; I22-Y165 HydrophobicContact CD1-CE2 3.95Å; I22-Y165 HydrophobicContact CG2-CE2 3.83Å; D25-Y165 PolarHBondContact OD2-OH 3.3Å; V27-Y165 HydrophobicContact CG1-CD2 4.23Å; V27-Y165 HydrophobicContact CG1-CE2 4.08Å; A148-Y165 HydrophobicContact CB-CD1 3.81Å; A148-Y165 HydrophobicContact CB-CD2 3.9Å; A148-Y165 HydrophobicContact CB-CE1 3.61Å; A148-Y165 HydrophobicContact CB-CE2 3.72Å; A148-Y165 HydrophobicContact CB-CG 3.95Å; C149-Y165 PolarHBondContact O-N 2.88Å; I150-Y165 WeakPolarHBondContact CA-O 3.27Å; I150-Y165 HydrophobicContact CG1-CD2 4.06Å; I150-Y165 HydrophobicContact CG1-CG 4.4Å; T151-Y165 PolarHBondContact N-O 3.38Å; T151-Y165 VanDerWaalsContact N-O 3.16Å; T163-Y165 HydrophobicContact CG2-CD1 3.99Å; T163-Y165 HydrophobicContact CG2-CE1 3.5Å; T163-Y165 VanDerWaalsContact CG2-CE1 3.5Å; Y165-V177 HydrophobicContact CG-CG2 4.16Å; Y165-V179 HydrophobicContact CD1-CB 4.19Å; Y165-V179 HydrophobicContact CD1-CG1 4Å; Y165-V179 HydrophobicContact CD1-CG2 3.66Å; Y165-V179 HydrophobicContact CE1-CB 4.11Å; Y165-V179 HydrophobicContact CE1-CG1 3.63Å; Y165-V179 HydrophobicContact CE1-CG2 3.51Å
166R95.1Very high90.3Very high34 Ų3442.6 Ų42.613%0.12822%0.224CC..EExtended strand (participates in β ladder)trans-107.1155.9-174.7176.8159.5177.4-105-2.8111.7W7 T151 F168 V177 C178 F180W7-R166 VanDerWaalsContact CD2-NH1 3.33Å; W7-R166 VanDerWaalsContact CE2-NE 3.32Å; W7-R166 VanDerWaalsContact CG-NH1 3.32Å; W7-R166 VanDerWaalsContact CH2-CD 3.45Å; T151-R166 WeakPolarHBondContact O-CA 3.39Å; R166-F168 VanDerWaalsContact C-N 3.3Å; R166-F168 PolarHBondContact O-N 3.15Å; R166-V177 WeakPolarHBondContact O-CG2 3.49Å; R166-C178 PolarHBondContact N-O 2.84Å; R166-C178 WeakPolarHBondContact O-CB 3.46Å; R166-C178 PolarHBondContact O-N 3.19Å; R166-F180 HydrophobicContact CB-CD2 4.32Å; R166-F180 HydrophobicContact CB-CE2 4.01Å
167H91.2Very high90.1Very high91 Ų9142.6 Ų42.642%0.42122%0.224SC..SBendtrans53.944.4-178.9-57.2160.6000112.9N152 S169N152-H167 PolarHBondContact OD1-N 3.26Å; H167-S169 PolarHBondContact O-N 3.33Å
168F88.8Confident90Very high26 Ų2643.1 Ų43.111%0.11423%0.227CC..  trans-58.1109.9176.5-179.3-95.6000111.1L19 W34 R55 L59 I150 R166 M170 V177L19-F168 HydrophobicContact CD1-CD2 4.48Å; L19-F168 HydrophobicContact CD1-CE2 3.55Å; L19-F168 HydrophobicContact CD1-CZ 3.61Å; L19-F168 HydrophobicContact CD2-CD2 3.9Å; L19-F168 HydrophobicContact CD2-CE2 3.57Å; L19-F168 HydrophobicContact CD2-CZ 4.46Å; L19-F168 HydrophobicContact CG-CE2 4.24Å; W34-F168 HydrophobicContact CZ2-CD1 4.19Å; R55-F168 HydrophobicContact CB-CE1 4.36Å; R55-F168 HydrophobicContact CG-CD1 4.45Å; R55-F168 HydrophobicContact CG-CE1 4.07Å; L59-F168 HydrophobicContact CD1-CZ 4.42Å; L59-F168 HydrophobicContact CD2-CE2 3.51Å; L59-F168 HydrophobicContact CD2-CZ 3.61Å; L59-F168 HydrophobicContact CG-CE2 4.2Å; L59-F168 HydrophobicContact CG-CZ 3.77Å; I150-F168 HydrophobicContact CD1-CD2 4.24Å; I150-F168 HydrophobicContact CD1-CE2 4.48Å; I150-F168 HydrophobicContact CG2-CB 4.06Å; I150-F168 HydrophobicContact CG2-CG 4.46Å; R166-F168 VanDerWaalsContact C-N 3.3Å; R166-F168 PolarHBondContact O-N 3.15Å; F168-M170 HydrophobicContact CE1-CG 3.79Å; F168-M170 HydrophobicContact CE1-SD 4.31Å; F168-M170 HydrophobicContact CZ-CG 4.2Å; F168-V177 HydrophobicContact CB-CG2 4.46Å; F168-V177 HydrophobicContact CD2-CG2 4.42Å
169S84.9Confident90Very high34 Ų3443.1 Ų43.124%0.23823%0.227CC..  trans-110.3137.7-176.2177.80000112.1H167 D171 D174 S175 S176H167-S169 PolarHBondContact O-N 3.33Å; S169-D171 PolarHBondContact OG-N 2.68Å; S169-D174 WeakPolarHBondContact CB-O 3.39Å; S169-D174 PolarHBondContact OG-O 2.72Å; S169-S175 WeakPolarHBondContact O-CA 3.07Å; S169-S175 PolarHBondContact O-OG 3.43Å; S169-S176 PolarHBondContact N-O 3.32Å; S169-S176 PolarHBondContact O-N 3.06Å
170M81Confident90Very high73 Ų7343 Ų4336%0.3623%0.227SC..  trans-11619.9171.8-79.3-158.968.300112.9F54 R55 G58 F168 S172F54-M170 VanDerWaalsContact C-SD 3.52Å; F54-M170 VanDerWaalsContact O-CE 3.27Å; F54-M170 WeakPolarHBondContact O-CE 3.42Å; R55-M170 WeakPolarHBondContact CA-SD 3.01Å; R55-M170 HydrophobicContact CB-SD 4.43Å; R55-M170 HydrophobicContact CG-SD 4.28Å; G58-M170 VanDerWaalsContact CA-CE 3.46Å; F168-M170 HydrophobicContact CE1-CG 3.79Å; F168-M170 HydrophobicContact CE1-SD 4.31Å; F168-M170 HydrophobicContact CZ-CG 4.2Å; M170-S172 PolarHBondContact O-N 3.01Å
171D77.7Confident90Very high77 Ų7743.2 Ų43.241%0.41222%0.222SC..  trans-58.7130.3172.4-168.7-20.8000109.5S169 R173 D174 S175S169-D171 PolarHBondContact OG-N 2.68Å; D171-R173 PolarHBondContact O-N 2.99Å; D171-R173 VanDerWaalsContact O-N 3.1Å; D171-R173 PolarHBondContact OD1-N 3.38Å; D171-D174 CarbonylContact O-C 3.59Å; D171-D174 PolarHBondContact O-N 2.89Å; D171-D174 VanDerWaalsContact O-N 3.1Å; D171-S175 PolarHBondContact O-N 3.16Å; D171-S175 VanDerWaalsContact O-N 3.08Å
172S71.7Confident90Very high118 Ų11844.6 Ų44.683%0.82523%0.229SC*.SBendtrans-46.5-30.3167.659.70000114.6M170M170-S172 PolarHBondContact O-N 3.01Å
173R74Confident89.9Confident190 Ų19046.2 Ų46.272%0.71724%0.236SC*.SBendtrans-89.9-34.7178.8-55.4-175.9-169.7-161.95112.5D171 N510D171-R173 PolarHBondContact O-N 2.99Å; D171-R173 VanDerWaalsContact O-N 3.1Å; D171-R173 PolarHBondContact OD1-N 3.38Å; R173-N510 PolarHBondContact NH2-OD1 3.46Å
174D77.1Confident89.9Confident71 Ų7148.5 Ų48.538%0.3824%0.243SC..  trans-141.379.9-176.7-155.672.7000111.6Y16 S169 D171 S176Y16-D174 PolarHBondContact OH-OD1 3.32Å; Y16-D174 PolarHBondContact OH-OD2 3.33Å; S169-D174 WeakPolarHBondContact CB-O 3.39Å; S169-D174 PolarHBondContact OG-O 2.72Å; D171-D174 CarbonylContact O-C 3.59Å; D171-D174 PolarHBondContact O-N 2.89Å; D171-D174 VanDerWaalsContact O-N 3.1Å; D174-S176 PolarHBondContact O-N 3.22Å; D174-S176 VanDerWaalsContact OD2-CB 3.32Å; D174-S176 WeakPolarHBondContact OD2-CB 3.47Å; D174-S176 PolarHBondContact OD2-OG 2.84Å
175S85.7Confident89.9Confident47 Ų4748.5 Ų48.533%0.32924%0.243SC..  trans-90.794.9176.1-171.80000109.2L19 S169 D171L19-S175 VanDerWaalsContact CD1-OG 3.24Å; L19-S175 WeakPolarHBondContact CD1-OG 3.27Å; L19-S175 WeakPolarHBondContact CG-OG 3.43Å; L19-S175 PolarHBondContact N-O 2.92Å; S169-S175 WeakPolarHBondContact O-CA 3.07Å; S169-S175 PolarHBondContact O-OG 3.43Å; D171-S175 PolarHBondContact O-N 3.16Å; D171-S175 VanDerWaalsContact O-N 3.08Å
176S90.8Very high89.9Confident7 Ų751.7 Ų51.75%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-147.9168.8-162.9650000112.9Y16 R17 S169 D174Y16-S176 VanDerWaalsContact CE2-CB 3.41Å; Y16-S176 WeakPolarHBondContact CE2-OG 3.36Å; Y16-S176 WeakPolarHBondContact OH-CB 3.44Å; R17-S176 CarbonylContact O-C 3.55Å; R17-S176 WeakPolarHBondContact O-CA 3.43Å; S169-S176 PolarHBondContact N-O 3.32Å; S169-S176 PolarHBondContact O-N 3.06Å; D174-S176 PolarHBondContact O-N 3.22Å; D174-S176 VanDerWaalsContact OD2-CB 3.32Å; D174-S176 WeakPolarHBondContact OD2-CB 3.47Å; D174-S176 PolarHBondContact OD2-OG 2.84Å
177V94Very high90Very high0 Ų055.8 Ų55.80%029%0.285CS..EExtended strand (participates in β ladder)trans-147.5149.4174.970.50000110.1R17 L19 I22 Y165 R166 F168 V179R17-V177 HydrophobicContact CB-CG1 4.45Å; R17-V177 PolarHBondContact N-O 2.9Å; R17-V177 PolarHBondContact O-N 2.79Å; L19-V177 HydrophobicContact CD2-CB 3.98Å; L19-V177 HydrophobicContact CD2-CG1 4.17Å; I22-V177 HydrophobicContact CD1-CG1 4.25Å; I22-V177 HydrophobicContact CG2-CG1 4.08Å; Y165-V177 HydrophobicContact CG-CG2 4.16Å; R166-V177 WeakPolarHBondContact O-CG2 3.49Å; F168-V177 HydrophobicContact CB-CG2 4.46Å; F168-V177 HydrophobicContact CD2-CG2 4.42Å; V177-V179 HydrophobicContact CG1-CG2 3.98Å
178C95.4Very high90.3Very high10 Ų1055.4 Ų55.47%0.06829%0.288CS..EExtended strand (participates in β ladder)trans-96.7113.2173.4-59.20000108.7Q14 E15 R166 F180Q14-C178 HydrophobicContact CG-CB 4.03Å; Q14-C178 PolarHBondContact NE2-SG 3.31Å; E15-C178 CarbonylContact O-C 3.52Å; E15-C178 WeakPolarHBondContact O-CA 3.35Å; R166-C178 PolarHBondContact N-O 2.84Å; R166-C178 WeakPolarHBondContact O-CB 3.46Å; R166-C178 PolarHBondContact O-N 3.19Å; C178-F180 HydrophobicContact CB-CE2 3.89Å
179V96.7Very high90.7Very high0 Ų056.4 Ų56.40%030%0.295CS..EExtended strand (participates in β ladder)trans-94.7134.9-179179.90000110.1E15 R17 T163 Y165 V177 H181E15-V179 HydrophobicContact CB-CB 4.22Å; E15-V179 PolarHBondContact N-O 2.71Å; E15-V179 PolarHBondContact O-N 2.8Å; R17-V179 HydrophobicContact CB-CG2 4.22Å; R17-V179 HydrophobicContact CG-CG2 3.99Å; T163-V179 HydrophobicContact CG2-CG1 4.15Å; Y165-V179 HydrophobicContact CD1-CB 4.19Å; Y165-V179 HydrophobicContact CD1-CG1 4Å; Y165-V179 HydrophobicContact CD1-CG2 3.66Å; Y165-V179 HydrophobicContact CE1-CB 4.11Å; Y165-V179 HydrophobicContact CE1-CG1 3.63Å; Y165-V179 HydrophobicContact CE1-CG2 3.51Å; V177-V179 HydrophobicContact CG1-CG2 3.98Å; V179-H181 WeakPolarHBondContact CG1-NE2 3.48Å
180F98Very high91.2Very high0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-127.9135.6174.3-64.8-98.9000108.3W7 L10 V13 Q14 F157 T163 V164 R166 C178W7-F180 HydrophobicContact CE3-CE1 4.25Å; W7-F180 HydrophobicContact CE3-CE2 4.4Å; W7-F180 HydrophobicContact CE3-CZ 4.07Å; W7-F180 HydrophobicContact CZ3-CD1 4.24Å; W7-F180 HydrophobicContact CZ3-CD2 4.04Å; W7-F180 HydrophobicContact CZ3-CE1 4.15Å; W7-F180 AromaticContact CZ3-CE2 3.97Å; W7-F180 HydrophobicContact CZ3-CE2 3.97Å; W7-F180 HydrophobicContact CZ3-CG 4.18Å; W7-F180 HydrophobicContact CZ3-CZ 4.02Å; L10-F180 HydrophobicContact CB-CD1 4.12Å; L10-F180 HydrophobicContact CB-CE1 3.93Å; L10-F180 WeakPolarHBondContact O-CE1 3.37Å; V13-F180 HydrophobicContact CG2-CD1 4.3Å; Q14-F180 HydrophobicContact CB-CD1 4.4Å; Q14-F180 HydrophobicContact CB-CE1 3.62Å; Q14-F180 HydrophobicContact CB-CE2 4.46Å; Q14-F180 HydrophobicContact CB-CZ 3.66Å; Q14-F180 HydrophobicContact CG-CE1 4.02Å; Q14-F180 HydrophobicContact CG-CE2 3.96Å; Q14-F180 HydrophobicContact CG-CZ 3.51Å; F157-F180 HydrophobicContact CE2-CB 3.9Å; F157-F180 HydrophobicContact CZ-CB 3.55Å; T163-F180 WeakPolarHBondContact CA-O 3.14Å; V164-F180 PolarHBondContact N-O 3.42Å; V164-F180 PolarHBondContact O-N 3.31Å; R166-F180 HydrophobicContact CB-CD2 4.32Å; R166-F180 HydrophobicContact CB-CE2 4.01Å; C178-F180 HydrophobicContact CB-CE2 3.89Å
181H98Very high92Very high25 Ų2555.9 Ų55.912%0.11629%0.291CS..EExtended strand (participates in β ladder)trans-121.2131.6178.3-66-67.1000110.4E15 R17 E162 T163 V179 H183 R184 I185E15-H181 IonicContact OE1-CD2 2.71Å; R17-H181 PolarHBondContact NH2-NE2 3.36Å; E162-H181 CarbonylContact O-C 3.22Å; E162-H181 WeakPolarHBondContact O-CA 3.2Å; T163-H181 WeakPolarHBondContact CG2-ND1 3.31Å; T163-H181 PolarHBondContact OG1-CE1 2.69Å; T163-H181 PolarHBondContact OG1-ND1 3.47Å; V179-H181 WeakPolarHBondContact CG1-NE2 3.48Å; H181-H183 VanDerWaalsContact C-N 3.29Å; H181-H183 VanDerWaalsContact CB-CE1 3.48Å; H181-H183 WeakPolarHBondContact CB-CE1 3.49Å; H181-H183 AromaticContact CG-CE1 3.81Å; H181-H183 PolarHBondContact O-N 3.34Å; H181-R184 HydrophobicContact CB-CG 4.25Å; H181-R184 WeakPolarHBondContact O-CB 3.17Å; H181-R184 PolarHBondContact O-N 3.45Å; H181-I185 PolarHBondContact O-N 3.38Å; H181-I185 VanDerWaalsContact O-N 3.15Å
182M98.2Very high92.9Very high30 Ų3054.4 Ų54.415%0.14828%0.284CS..Hα-helixtrans-62.5-33.9-177-173.160.9-162.700112.6F157 E162 R184 I185 L186 L196F157-M182 HydrophobicContact CD1-CB 4.31Å; F157-M182 HydrophobicContact CD1-SD 3.91Å; F157-M182 HydrophobicContact CE1-CB 4.16Å; F157-M182 HydrophobicContact CE1-SD 4.5Å; E162-M182 PolarHBondContact O-N 3.45Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 2.91Å; M182-I185 HydrophobicContact CE-CG2 4.44Å; M182-I185 WeakPolarHBondContact O-CB 3.42Å; M182-I185 PolarHBondContact O-N 2.93Å; M182-I185 HydrophobicContact SD-CB 4.15Å; M182-I185 HydrophobicContact SD-CD1 4.06Å; M182-I185 HydrophobicContact SD-CG2 4.29Å; M182-L186 PolarHBondContact O-N 3.4Å; M182-L196 HydrophobicContact CE-CD1 3.84Å; M182-L196 HydrophobicContact CE-CG 4.48Å; M182-L196 HydrophobicContact SD-CD1 3.86Å
183H97.4Very high94Very high110 Ų11051.4 Ų51.451%0.50926%0.257SS..Hα-helixtrans-61.5-38.5173.372.4-96.1000111.7H181 I185 L186 D187H181-H183 VanDerWaalsContact C-N 3.29Å; H181-H183 VanDerWaalsContact CB-CE1 3.48Å; H181-H183 WeakPolarHBondContact CB-CE1 3.49Å; H181-H183 AromaticContact CG-CE1 3.81Å; H181-H183 PolarHBondContact O-N 3.34Å; H183-I185 PolarHBondContact O-N 2.79Å; H183-L186 PolarHBondContact O-N 3.45Å; H183-D187 IonicContact CD2-OD2 3.33Å; H183-D187 WeakPolarHBondContact O-CB 3.42Å; H183-D187 PolarHBondContact O-N 2.91Å
184R97.8Very high95.1Very high66 Ų6643.6 Ų43.625%0.24923%0.231CC..Hα-helixtrans-69.6-33.5175.4-63.8-16362.1-156-15112.6V13 E15 H181 M182 L186 V188V13-R184 HydrophobicContact CB-CB 4.22Å; V13-R184 HydrophobicContact CG1-CB 4.36Å; E15-R184 WeakPolarHBondContact OE1-CD 3.03Å; E15-R184 IonicContact OE1-CZ 3.3Å; E15-R184 IonicContact OE1-NE 3.58Å; E15-R184 IonicContact OE1-NH1 2.71Å; E15-R184 PolarHBondContact OE1-NH1 3.01Å; H181-R184 HydrophobicContact CB-CG 4.25Å; H181-R184 WeakPolarHBondContact O-CB 3.17Å; H181-R184 PolarHBondContact O-N 3.45Å; M182-R184 VanDerWaalsContact C-N 3.3Å; M182-R184 PolarHBondContact O-N 2.91Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-V188 VanDerWaalsContact O-CB 3.24Å; R184-V188 WeakPolarHBondContact O-CB 3.21Å; R184-V188 WeakPolarHBondContact O-CG2 3.02Å; R184-V188 PolarHBondContact O-N 3.25Å
185I97.9Very high96.1Very high0 Ų040.3 Ų40.30%021%0.213CC..Hα-helixtrans-61.6-43.7172-62.4175.2000109.7L10 V13 F157 H181 M182 H183 L189 N190 L191 L196L10-I185 HydrophobicContact CD1-CD1 3.97Å; L10-I185 HydrophobicContact CD2-CD1 3.92Å; L10-I185 HydrophobicContact CD2-CG1 3.99Å; L10-I185 HydrophobicContact CD2-CG2 4.03Å; V13-I185 HydrophobicContact CG2-CG1 3.94Å; F157-I185 HydrophobicContact CD1-CD1 3.91Å; F157-I185 HydrophobicContact CD2-CD1 4.22Å; F157-I185 HydrophobicContact CE1-CD1 3.72Å; F157-I185 HydrophobicContact CE2-CD1 4.02Å; F157-I185 HydrophobicContact CG-CD1 4.18Å; F157-I185 HydrophobicContact CZ-CD1 3.77Å; H181-I185 PolarHBondContact O-N 3.38Å; H181-I185 VanDerWaalsContact O-N 3.15Å; M182-I185 HydrophobicContact CE-CG2 4.44Å; M182-I185 WeakPolarHBondContact O-CB 3.42Å; M182-I185 PolarHBondContact O-N 2.93Å; M182-I185 HydrophobicContact SD-CB 4.15Å; M182-I185 HydrophobicContact SD-CD1 4.06Å; M182-I185 HydrophobicContact SD-CG2 4.29Å; H183-I185 PolarHBondContact O-N 2.79Å; I185-L189 WeakPolarHBondContact O-CA 3.36Å; I185-L189 VanDerWaalsContact O-CB 3.3Å; I185-L189 WeakPolarHBondContact O-CB 3.46Å; I185-L189 PolarHBondContact O-N 2.88Å; I185-L189 VanDerWaalsContact O-N 3.14Å; I185-N190 PolarHBondContact O-N 3.25Å; I185-L191 HydrophobicContact CG2-CB 3.88Å; I185-L191 PolarHBondContact O-N 3.2Å; I185-L196 HydrophobicContact CG2-CD1 4.42Å; I185-L196 HydrophobicContact CG2-CD2 4.33Å
186L97.2Very high96.7Very high76 Ų7638.1 Ų38.140%0.39820%0.198SC..Hα-helixtrans-66.1-53.5175.5-17561.9000112.1M182 H183 R184 V188 N190 T192M182-L186 PolarHBondContact O-N 3.4Å; H183-L186 PolarHBondContact O-N 3.45Å; R184-L186 VanDerWaalsContact C-N 3.31Å; L186-V188 PolarHBondContact O-N 3.49Å; L186-N190 WeakPolarHBondContact O-CA 3.34Å; L186-N190 PolarHBondContact O-N 3.31Å; L186-T192 HydrophobicContact CD1-CG2 3.85Å
187D97.1Very high97Very high121 Ų12137.8 Ų37.865%0.64720%0.195SC*.Hα-helixtrans-69.6-36.3-171.6-62.8-23.7000113.4H183H183-D187 IonicContact CD2-OD2 3.33Å; H183-D187 WeakPolarHBondContact O-CB 3.42Å; H183-D187 PolarHBondContact O-N 2.91Å
188V96.8Very high97.2Very high82 Ų8237.8 Ų37.850%0.49720%0.196SC..Hα-helixtrans-97-37.2-173.4-1770000112.3V13 R184 L186V13-V188 HydrophobicContact CG1-CB 3.66Å; V13-V188 HydrophobicContact CG1-CG1 3.88Å; V13-V188 HydrophobicContact CG1-CG2 4.09Å; R184-V188 VanDerWaalsContact O-CB 3.24Å; R184-V188 WeakPolarHBondContact O-CB 3.21Å; R184-V188 WeakPolarHBondContact O-CG2 3.02Å; R184-V188 PolarHBondContact O-N 3.25Å; L186-V188 PolarHBondContact O-N 3.49Å
189L96.6Very high97.3Very high48 Ų4837.3 Ų37.325%0.25119%0.192SC..Hα-helixtrans-103.6-9-177.3-58.2174.8000113.2I9 L10 V13 I185 L191I9-L189 HydrophobicContact CG2-CD1 4.26Å; L10-L189 HydrophobicContact CD2-CD1 3.82Å; V13-L189 HydrophobicContact CG1-CD1 4.26Å; V13-L189 HydrophobicContact CG1-CG 4.16Å; V13-L189 HydrophobicContact CG2-CD1 4.37Å; I185-L189 WeakPolarHBondContact O-CA 3.36Å; I185-L189 VanDerWaalsContact O-CB 3.3Å; I185-L189 WeakPolarHBondContact O-CB 3.46Å; I185-L189 PolarHBondContact O-N 2.88Å; I185-L189 VanDerWaalsContact O-N 3.14Å; L189-L191 VanDerWaalsContact C-N 3.32Å; L189-L191 HydrophobicContact CB-CD1 3.9Å; L189-L191 HydrophobicContact CB-CG 3.99Å; L189-L191 HydrophobicContact CD1-CD1 4.3Å; L189-L191 PolarHBondContact O-N 2.83Å
190N96Very high97.4Very high92 Ų9237.3 Ų37.349%0.49219%0.192SC..  trans52.749.6-171.8-169.2-1.9000111.5I185 L186 K228I185-N190 PolarHBondContact O-N 3.25Å; L186-N190 WeakPolarHBondContact O-CA 3.34Å; L186-N190 PolarHBondContact O-N 3.31Å; N190-K228 WeakPolarHBondContact O-CE 3.46Å; N190-K228 PolarHBondContact O-NZ 2.83Å; N190-K228 PolarHBondContact OD1-NZ 3.13Å
191L97.1Very high97.3Very high3 Ų337.3 Ų37.32%0.01619%0.192CC..  trans-120.4116.8177.3-63.9173.9000110.8I9 I185 L189 D195 L196 L199 L221 I224I9-L191 HydrophobicContact CG2-CD1 4.02Å; I185-L191 HydrophobicContact CG2-CB 3.88Å; I185-L191 PolarHBondContact O-N 3.2Å; L189-L191 VanDerWaalsContact C-N 3.32Å; L189-L191 HydrophobicContact CB-CD1 3.9Å; L189-L191 HydrophobicContact CB-CG 3.99Å; L189-L191 HydrophobicContact CD1-CD1 4.3Å; L189-L191 PolarHBondContact O-N 2.83Å; L191-D195 HydrophobicContact CB-CB 4.35Å; L191-D195 HydrophobicContact CD2-CB 3.85Å; L191-L196 HydrophobicContact CB-CD2 4.04Å; L191-L196 HydrophobicContact CD1-CD2 4.06Å; L191-L199 HydrophobicContact CD1-CD1 4.06Å; L191-L199 HydrophobicContact CD2-CD1 4.48Å; L191-L221 HydrophobicContact CD1-CD2 4Å; L191-L221 HydrophobicContact CD2-CD2 4.06Å; L191-I224 HydrophobicContact CD2-CG2 4.21Å
192T96.5Very high97.3Very high46 Ų4636.1 Ų36.128%0.28219%0.187SC..  trans-83.1170172.267.40000111.3L186 C194 D195 L196L186-T192 HydrophobicContact CD1-CG2 3.85Å; T192-C194 PolarHBondContact O-N 2.91Å; T192-C194 PolarHBondContact OG1-N 2.76Å; T192-D195 WeakPolarHBondContact CB-OD2 3.41Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.48Å; T192-D195 PolarHBondContact N-OD2 2.84Å; T192-D195 WeakPolarHBondContact O-CB 3.28Å; T192-D195 PolarHBondContact O-N 3.1Å; T192-D195 VanDerWaalsContact O-N 3.13Å; T192-D195 PolarHBondContact OG1-N 2.62Å; T192-D195 VanDerWaalsContact OG1-N 3.16Å; T192-D195 PolarHBondContact OG1-OD2 2.89Å; T192-L196 WeakPolarHBondContact O-CG 3.35Å; T192-L196 PolarHBondContact O-N 3.16Å
193K96.6Very high97.3Very high56 Ų5635.6 Ų35.624%0.24319%0.185CC..Hα-helixtrans-53.5-41.9172.3-170.5-174.6176.5-169.50111.7L158 Y159 L196 V197 F293 L294L158-K193 WeakPolarHBondContact O-CE 3.37Å; Y159-K193 VanDerWaalsContact C-CE 3.41Å; Y159-K193 WeakPolarHBondContact O-CE 3.38Å; Y159-K193 PolarHBondContact O-NZ 2.9Å; K193-L196 PolarHBondContact O-N 2.89Å; K193-V197 PolarHBondContact O-N 3.5Å; K193-V197 VanDerWaalsContact O-N 3.11Å; K193-F293 WeakPolarHBondContact CE-O 3.24Å; K193-F293 PolarHBondContact NZ-O 3.44Å; K193-L294 HydrophobicContact CD-CD2 3.73Å; K193-L294 HydrophobicContact CG-CD2 3.85Å
194C96.9Very high97.2Very high26 Ų2630.4 Ų30.418%0.17616%0.16CC..Hα-helixtrans-66.4-40178.5-56.40000112.1T192 L196 V197 L198 L239T192-C194 PolarHBondContact O-N 2.91Å; T192-C194 PolarHBondContact OG1-N 2.76Å; C194-L196 VanDerWaalsContact C-N 3.31Å; C194-L196 PolarHBondContact O-N 3.34Å; C194-V197 PolarHBondContact O-N 3.24Å; C194-L198 PolarHBondContact O-N 2.9Å; C194-L239 HydrophobicContact CB-CD1 4.08Å
195D97.3Very high97Very high2 Ų227.2 Ų27.21%0.01115%0.148CC..Hα-helixtrans-62.4-38.1174-60.7-58000111.5L191 T192 L198 L199 I224 K228L191-D195 HydrophobicContact CB-CB 4.35Å; L191-D195 HydrophobicContact CD2-CB 3.85Å; T192-D195 WeakPolarHBondContact CB-OD2 3.41Å; T192-D195 WeakPolarHBondContact CG2-OD2 3.48Å; T192-D195 PolarHBondContact N-OD2 2.84Å; T192-D195 WeakPolarHBondContact O-CB 3.28Å; T192-D195 PolarHBondContact O-N 3.1Å; T192-D195 VanDerWaalsContact O-N 3.13Å; T192-D195 PolarHBondContact OG1-N 2.62Å; T192-D195 VanDerWaalsContact OG1-N 3.16Å; T192-D195 PolarHBondContact OG1-OD2 2.89Å; D195-L198 PolarHBondContact O-N 3.32Å; D195-L199 WeakPolarHBondContact O-CG 3.49Å; D195-L199 PolarHBondContact O-N 3.45Å; D195-I224 HydrophobicContact CB-CD1 4.49Å; D195-I224 HydrophobicContact CB-CG2 4.04Å; D195-I224 WeakPolarHBondContact O-CD1 3.46Å; D195-I224 VanDerWaalsContact OD1-CG2 3.28Å; D195-I224 WeakPolarHBondContact OD1-CG2 3.45Å; D195-K228 WeakPolarHBondContact OD1-CE 3.47Å; D195-K228 IonicContact OD1-NZ 2.74Å; D195-K228 WeakPolarHBondContact OD2-CE 3.35Å; D195-K228 IonicContact OD2-NZ 2.76Å; D195-K228 PolarHBondContact OD2-NZ 2.89Å
196L98Very high96.7Very high0 Ų027.3 Ų27.30%015%0.149CC..Hα-helixtrans-67.7-37.3177-63.1-174.3000112.6L6 F157 L158 M182 I185 L191 T192 K193 C194 L199 G200L6-L196 HydrophobicContact CD1-CD2 4.14Å; F157-L196 HydrophobicContact CB-CD1 3.77Å; L158-L196 HydrophobicContact CD1-CB 3.9Å; L158-L196 HydrophobicContact CG-CB 4.19Å; M182-L196 HydrophobicContact CE-CD1 3.84Å; M182-L196 HydrophobicContact CE-CG 4.48Å; M182-L196 HydrophobicContact SD-CD1 3.86Å; I185-L196 HydrophobicContact CG2-CD1 4.42Å; I185-L196 HydrophobicContact CG2-CD2 4.33Å; L191-L196 HydrophobicContact CB-CD2 4.04Å; L191-L196 HydrophobicContact CD1-CD2 4.06Å; T192-L196 WeakPolarHBondContact O-CG 3.35Å; T192-L196 PolarHBondContact O-N 3.16Å; K193-L196 PolarHBondContact O-N 2.89Å; C194-L196 VanDerWaalsContact C-N 3.31Å; C194-L196 PolarHBondContact O-N 3.34Å; L196-L199 HydrophobicContact CD2-CD1 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.37Å; L196-L199 PolarHBondContact O-N 3Å; L196-G200 PolarHBondContact O-N 3.15Å
197V98.1Very high96.5Very high0 Ų023.9 Ų23.90%013%0.131CC..Hα-helixtrans-66.7-41.1173.2177.10000110.8L158 K193 C194 L199 G200 I201 I289 F290 F293 L294L158-V197 HydrophobicContact CB-CG2 4.05Å; L158-V197 HydrophobicContact CD2-CG2 4.34Å; L158-V197 HydrophobicContact CG-CG2 4.04Å; K193-V197 PolarHBondContact O-N 3.5Å; K193-V197 VanDerWaalsContact O-N 3.11Å; C194-V197 PolarHBondContact O-N 3.24Å; V197-L199 PolarHBondContact O-N 3.36Å; V197-G200 CarbonylContact O-C 3.57Å; V197-G200 WeakPolarHBondContact O-CA 3.16Å; V197-G200 PolarHBondContact O-N 3.41Å; V197-I201 HydrophobicContact CG1-CD1 4.34Å; V197-I201 PolarHBondContact O-N 2.9Å; V197-I289 HydrophobicContact CG1-CG2 4.33Å; V197-F290 HydrophobicContact CB-CD1 4.03Å; V197-F290 HydrophobicContact CB-CE1 3.83Å; V197-F290 HydrophobicContact CG1-CD1 3.44Å; V197-F290 VanDerWaalsContact CG1-CD1 3.44Å; V197-F290 HydrophobicContact CG1-CE1 3.55Å; V197-F290 HydrophobicContact CG1-CG 4.19Å; V197-F290 HydrophobicContact CG1-CZ 4.36Å; V197-F293 HydrophobicContact CG1-CB 4.29Å; V197-F293 HydrophobicContact CG1-CD2 3.86Å; V197-F293 HydrophobicContact CG1-CG 4.5Å; V197-F293 HydrophobicContact CG2-CB 3.53Å; V197-F293 HydrophobicContact CG2-CD2 4.1Å; V197-F293 HydrophobicContact CG2-CG 4.01Å; V197-L294 HydrophobicContact CG2-CD2 3.87Å; V197-L294 HydrophobicContact CG2-CG 4.39Å
198L98Very high96.3Very high1 Ų120.3 Ų20.31%0.00511%0.108CC..Hα-helixtrans-63.6-38.8173.9-177.758.9000112.3C194 D195 G200 I201 L202 I224 L227 L239 L243 F290C194-L198 PolarHBondContact O-N 2.9Å; D195-L198 PolarHBondContact O-N 3.32Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.75Å; L198-I201 PolarHBondContact O-N 2.95Å; L198-L202 HydrophobicContact CD1-CD1 4.17Å; L198-L202 HydrophobicContact CD1-CG 4.11Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.33Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.19Å; L198-I224 HydrophobicContact CB-CD1 4.34Å; L198-I224 HydrophobicContact CD2-CD1 4.3Å; L198-I224 HydrophobicContact CD2-CG1 3.89Å; L198-I224 HydrophobicContact CG-CD1 4.23Å; L198-I224 HydrophobicContact CG-CG1 4.25Å; L198-L227 HydrophobicContact CD2-CD1 3.99Å; L198-L239 HydrophobicContact CB-CD1 4.34Å; L198-L239 HydrophobicContact CD2-CD1 4.17Å; L198-L239 HydrophobicContact CD2-CD2 3.75Å; L198-L243 HydrophobicContact CD1-CD1 4.31Å; L198-F290 HydrophobicContact CB-CZ 4.32Å
199L97.9Very high96.1Very high0 Ų017.9 Ų17.90%010%0.097CC..Hα-helixtrans-58-41.4168.3-76.1177.2000111.3L6 I9 L191 D195 L196 V197 I201 L202 L203 A220 L221 I224L6-L199 HydrophobicContact CD1-CD1 4.33Å; I9-L199 HydrophobicContact CD1-CD1 3.92Å; I9-L199 HydrophobicContact CD1-CD2 4.14Å; L191-L199 HydrophobicContact CD1-CD1 4.06Å; L191-L199 HydrophobicContact CD2-CD1 4.48Å; D195-L199 WeakPolarHBondContact O-CG 3.49Å; D195-L199 PolarHBondContact O-N 3.45Å; L196-L199 HydrophobicContact CD2-CD1 4.04Å; L196-L199 WeakPolarHBondContact O-CB 3.37Å; L196-L199 PolarHBondContact O-N 3Å; V197-L199 PolarHBondContact O-N 3.36Å; L199-I201 VanDerWaalsContact C-N 3.35Å; L199-I201 PolarHBondContact O-N 3.2Å; L199-L202 PolarHBondContact O-N 3.14Å; L199-L203 HydrophobicContact CB-CD1 4.47Å; L199-L203 HydrophobicContact CD2-CD1 4.12Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 PolarHBondContact O-N 2.82Å; L199-A220 HydrophobicContact CD2-CB 3.72Å; L199-L221 HydrophobicContact CD1-CD2 4.39Å; L199-L221 HydrophobicContact CD2-CD2 4.35Å; L199-I224 HydrophobicContact CB-CD1 4.42Å; L199-I224 HydrophobicContact CD1-CD1 4.5Å; L199-I224 HydrophobicContact CD2-CD1 3.47Å; L199-I224 VanDerWaalsContact CD2-CD1 3.47Å; L199-I224 HydrophobicContact CG-CD1 3.46Å; L199-I224 VanDerWaalsContact CG-CD1 3.46Å
200G97.3Very high95.7Very high0 Ų019.5 Ų19.50%011%0.112CC..Hα-helixtrans-58.6-40.8174.700000113.9L196 V197 L198 G204 C205L196-G200 PolarHBondContact O-N 3.15Å; V197-G200 CarbonylContact O-C 3.57Å; V197-G200 WeakPolarHBondContact O-CA 3.16Å; V197-G200 PolarHBondContact O-N 3.41Å; L198-G200 VanDerWaalsContact C-N 3.27Å; L198-G200 PolarHBondContact O-N 2.75Å; G200-G204 CarbonylContact O-C 3.56Å; G200-G204 WeakPolarHBondContact O-CA 3.36Å; G200-G204 PolarHBondContact O-N 3.23Å; G200-C205 WeakPolarHBondContact O-CB 3.28Å; G200-C205 PolarHBondContact O-N 3.44Å; G200-C205 PolarHBondContact O-SG 2.84Å; G200-C205 VanDerWaalsContact O-SG 3.36Å
201I97.4Very high95.6Very high0 Ų015.2 Ų15.20%09%0.09CC..Hα-helixtrans-72-44.4176-65164.1000110.9V197 L198 L199 L281 I289 F290V197-I201 HydrophobicContact CG1-CD1 4.34Å; V197-I201 PolarHBondContact O-N 2.9Å; L198-I201 PolarHBondContact O-N 2.95Å; L199-I201 VanDerWaalsContact C-N 3.35Å; L199-I201 PolarHBondContact O-N 3.2Å; I201-L281 HydrophobicContact CG2-CD1 3.73Å; I201-L281 HydrophobicContact CG2-CD2 4.09Å; I201-I289 HydrophobicContact CD1-CB 4.39Å; I201-I289 HydrophobicContact CD1-CG2 4.04Å; I201-I289 HydrophobicContact CG1-CB 4.38Å; I201-I289 HydrophobicContact CG1-CD1 4.28Å; I201-I289 HydrophobicContact CG1-CG2 3.77Å; I201-F290 HydrophobicContact CD1-CD2 4Å; I201-F290 HydrophobicContact CD1-CE2 3.6Å; I201-F290 HydrophobicContact CD1-CZ 3.91Å
202L98Very high95.6Very high0 Ų015.6 Ų15.60%09%0.092CC..Hα-helixtrans-71.8-43.5-175.3-72.9175.7000113.8L198 L199 V212 L215 A220 L223 I224 V277L198-L202 HydrophobicContact CD1-CD1 4.17Å; L198-L202 HydrophobicContact CD1-CG 4.11Å; L198-L202 HydrophobicContact CG-CD1 3.94Å; L198-L202 HydrophobicContact CG-CG 4.33Å; L198-L202 WeakPolarHBondContact O-CB 3.45Å; L198-L202 VanDerWaalsContact O-CG 3.27Å; L198-L202 WeakPolarHBondContact O-CG 3.42Å; L198-L202 PolarHBondContact O-N 3.19Å; L199-L202 PolarHBondContact O-N 3.14Å; L202-V212 HydrophobicContact CD2-CG2 4.24Å; L202-V212 PolarHBondContact O-N 3.12Å; L202-L215 HydrophobicContact CB-CD2 3.86Å; L202-L215 HydrophobicContact CD2-CD2 4Å; L202-L215 HydrophobicContact CG-CD2 4.38Å; L202-A220 HydrophobicContact CB-CB 4.29Å; L202-A220 HydrophobicContact CD1-CB 4.38Å; L202-L223 HydrophobicContact CD1-CB 4.45Å; L202-L223 HydrophobicContact CD1-CD1 4.3Å; L202-L223 HydrophobicContact CD2-CD1 4.33Å; L202-I224 HydrophobicContact CD1-CG1 4.29Å; L202-V277 HydrophobicContact CD2-CG1 3.8Å; L202-V277 HydrophobicContact CD2-CG2 3.92Å
203L97.2Very high95.4Very high19 Ų1916 Ų1610%0.09910%0.097CC..Hα-helixtrans-89.5-19.7-179.6-61.3172.8000112.3V3 H4 I9 L199 L215 A220V3-L203 HydrophobicContact CG1-CB 4.26Å; V3-L203 HydrophobicContact CG1-CD1 4.39Å; H4-L203 HydrophobicContact CB-CB 4.46Å; H4-L203 WeakPolarHBondContact CB-O 3.46Å; H4-L203 WeakPolarHBondContact O-CB 3.43Å; H4-L203 WeakPolarHBondContact O-CD1 3.09Å; I9-L203 HydrophobicContact CD1-CD1 3.94Å; L199-L203 HydrophobicContact CB-CD1 4.47Å; L199-L203 HydrophobicContact CD2-CD1 4.12Å; L199-L203 WeakPolarHBondContact O-CB 3.32Å; L199-L203 PolarHBondContact O-N 2.82Å; L203-L215 WeakPolarHBondContact CD2-O 3.42Å; L203-A220 HydrophobicContact CD1-CB 4.21Å; L203-A220 HydrophobicContact CD2-CB 3.61Å; L203-A220 HydrophobicContact CG-CB 3.82Å
204G94.8Very high95.2Very high0 Ų023.6 Ų23.60%012%0.124CC..  trans94.2141.7-174.800000112.6V3 H4 G200 W208V3-G204 WeakPolarHBondContact CA-O 3.45Å; H4-G204 PolarHBondContact CD2-O 3.38Å; H4-G204 PolarHBondContact N-O 3.1Å; G200-G204 CarbonylContact O-C 3.56Å; G200-G204 WeakPolarHBondContact O-CA 3.36Å; G200-G204 PolarHBondContact O-N 3.23Å; G204-W208 CarbonylContact C-O 3Å; G204-W208 WeakPolarHBondContact CA-O 3.46Å
205C94.3Very high95.1Very high0 Ų023.4 Ų23.40%012%0.121CC..  trans-142.6-174.1-174.161.30000110.9V3 G200 Y207 W208 A209V3-C205 HydrophobicContact CG2-CB 4.08Å; G200-C205 WeakPolarHBondContact O-CB 3.28Å; G200-C205 PolarHBondContact O-N 3.44Å; G200-C205 PolarHBondContact O-SG 2.84Å; G200-C205 VanDerWaalsContact O-SG 3.36Å; C205-Y207 PolarHBondContact O-N 2.92Å; C205-W208 PolarHBondContact N-O 2.93Å; C205-W208 CarbonylContact O-C 3.58Å; C205-W208 VanDerWaalsContact O-C 3.29Å; C205-W208 PolarHBondContact O-N 3.36Å; C205-A209 WeakPolarHBondContact O-CA 3.41Å; C205-A209 PolarHBondContact O-N 2.65Å
206D91.5Very high95Very high1 Ų125 Ų251%0.00514%0.139CC..SBendtrans-65.3-19.6-178.8-100.452.1000114G2 K78 V81 R85G2-D206 PolarHBondContact N-OD1 2.87Å; K78-D206 WeakPolarHBondContact CE-OD2 3.1Å; K78-D206 IonicContact NZ-OD2 2.66Å; K78-D206 PolarHBondContact NZ-OD2 3.36Å; V81-D206 WeakPolarHBondContact CB-O 3.11Å; V81-D206 WeakPolarHBondContact CG1-O 3.41Å; V81-D206 WeakPolarHBondContact CG2-O 3.49Å; R85-D206 IonicContact CZ-OD1 2.75Å; R85-D206 IonicContact CZ-OD2 3.74Å; R85-D206 IonicContact NH1-OD1 3.65Å; R85-D206 PolarHBondContact NH1-OD1 2.82Å; R85-D206 IonicContact NH1-OD2 3.75Å; R85-D206 PolarHBondContact NH1-OD2 3.15Å; R85-D206 VanDerWaalsContact NH2-CG 3.29Å; R85-D206 IonicContact NH2-OD1 3.73Å; R85-D206 PolarHBondContact NH2-OD1 2.99Å; R85-D206 IonicContact NH2-OD2 3.83Å; R85-D206 PolarHBondContact NH2-OD2 3.31Å
207Y93.5Very high94.9Very high5 Ų527.5 Ų27.52%0.0216%0.155CC..SBendtrans-95.9-26173.7-58.9-49.6000114.6P75 L77 K78 E132 Y159 C205 E292 F293P75-Y207 HydrophobicContact CB-CE1 4.35Å; P75-Y207 HydrophobicContact CG-CE1 4.16Å; L77-Y207 HydrophobicContact CB-CD1 4.19Å; L77-Y207 HydrophobicContact CD2-CD1 4.12Å; L77-Y207 HydrophobicContact CD2-CD2 4.43Å; L77-Y207 HydrophobicContact CD2-CG 3.88Å; L77-Y207 HydrophobicContact CG-CD1 4.15Å; L77-Y207 HydrophobicContact CG-CG 4.23Å; K78-Y207 HydrophobicContact CB-CD1 3.91Å; K78-Y207 HydrophobicContact CB-CE1 3.79Å; K78-Y207 HydrophobicContact CD-CE1 3.88Å; K78-Y207 HydrophobicContact CG-CD1 4.03Å; K78-Y207 HydrophobicContact CG-CE1 3.85Å; E132-Y207 WeakPolarHBondContact CG-OH 3.49Å; Y159-Y207 PolarHBondContact OH-OH 3.01Å; C205-Y207 PolarHBondContact O-N 2.92Å; Y207-E292 HydrophobicContact CD2-CG 4.32Å; Y207-E292 HydrophobicContact CE1-CG 4.34Å; Y207-E292 HydrophobicContact CE2-CG 3.73Å; Y207-F293 HydrophobicContact CD2-CD2 4.24Å; Y207-F293 HydrophobicContact CD2-CE1 4.29Å; Y207-F293 AromaticContact CD2-CE2 3.51Å; Y207-F293 HydrophobicContact CD2-CE2 3.51Å; Y207-F293 AromaticContact CD2-CZ 3.55Å; Y207-F293 HydrophobicContact CD2-CZ 3.55Å; Y207-F293 HydrophobicContact CE2-CD1 4.35Å; Y207-F293 HydrophobicContact CE2-CD2 4.4Å; Y207-F293 AromaticContact CE2-CE1 3.73Å; Y207-F293 HydrophobicContact CE2-CE1 3.73Å; Y207-F293 AromaticContact CE2-CE2 3.81Å; Y207-F293 HydrophobicContact CE2-CE2 3.81Å; Y207-F293 AromaticContact CE2-CZ 3.44Å; Y207-F293 HydrophobicContact CE2-CZ 3.44Å; Y207-F293 VanDerWaalsContact CE2-CZ 3.44Å
208W93.6Very high94.8Very high45 Ų4533.5 Ų33.517%0.1719%0.191CC..  trans-137.382.7178.9-172.8-111000110.4G204 C205 S210 G211 N283 C284 I289G204-W208 CarbonylContact C-O 3Å; G204-W208 WeakPolarHBondContact CA-O 3.46Å; C205-W208 PolarHBondContact N-O 2.93Å; C205-W208 CarbonylContact O-C 3.58Å; C205-W208 VanDerWaalsContact O-C 3.29Å; C205-W208 PolarHBondContact O-N 3.36Å; W208-S210 VanDerWaalsContact C-N 3.27Å; W208-S210 WeakPolarHBondContact CZ2-OG 2.87Å; W208-S210 PolarHBondContact NE1-OG 2.71Å; W208-S210 PolarHBondContact O-N 3.27Å; W208-G211 PolarHBondContact NE1-O 2.94Å; W208-N283 WeakPolarHBondContact CH2-O 3.07Å; W208-C284 HydrophobicContact CD2-CB 4.14Å; W208-C284 VanDerWaalsContact CD2-SG 3.56Å; W208-C284 HydrophobicContact CE3-CB 4.39Å; W208-C284 HydrophobicContact CH2-CB 3.94Å; W208-C284 HydrophobicContact CZ2-CB 3.64Å; W208-C284 HydrophobicContact CZ3-CB 4.3Å; W208-I289 HydrophobicContact CB-CD1 3.74Å; W208-I289 HydrophobicContact CG-CD1 4.42Å
209A90.7Very high94.7Very high32 Ų3234.2 Ų34.226%0.26420%0.199SC..THydrogen-bonded Turntrans-73.7-11.5-169.800000115.3V81 C205V81-A209 HydrophobicContact CB-CB 4.41Å; V81-A209 HydrophobicContact CG1-CB 3.83Å; V81-A209 HydrophobicContact CG2-CB 3.77Å; C205-A209 WeakPolarHBondContact O-CA 3.41Å; C205-A209 PolarHBondContact O-N 2.65Å
210S89.9Confident94.7Very high81 Ų8134.2 Ų34.257%0.56620%0.199SC*.THydrogen-bonded Turntrans-79.1-31.7178.539.80000113.4W208W208-S210 VanDerWaalsContact C-N 3.27Å; W208-S210 WeakPolarHBondContact CZ2-OG 2.87Å; W208-S210 PolarHBondContact NE1-OG 2.71Å; W208-S210 PolarHBondContact O-N 3.27Å
211G93.5Very high94.7Very high3 Ų336.6 Ų36.63%0.03121%0.211CC..  trans55-145.2-169.700000112W208W208-G211 PolarHBondContact NE1-O 2.94Å
212V95.9Very high94.7Very high10 Ų1042.1 Ų42.16%0.06123%0.232CC..SBendtrans-114.5129.8168.3178.50000109.7L202 R214 L215 R276 V277 E280 L281L202-V212 HydrophobicContact CD2-CG2 4.24Å; L202-V212 PolarHBondContact O-N 3.12Å; V212-R214 PolarHBondContact O-N 2.89Å; V212-L215 HydrophobicContact CB-CB 4.04Å; V212-L215 HydrophobicContact CB-CD2 3.94Å; V212-L215 HydrophobicContact CG1-CB 4.18Å; V212-L215 HydrophobicContact CG1-CD2 4.34Å; V212-L215 HydrophobicContact CG2-CD2 4.47Å; V212-L215 VanDerWaalsContact O-CB 3.31Å; V212-L215 WeakPolarHBondContact O-CB 3.29Å; V212-L215 PolarHBondContact O-N 2.99Å; V212-L215 VanDerWaalsContact O-N 3.16Å; V212-R276 HydrophobicContact CG1-CG 4.3Å; V212-V277 HydrophobicContact CG1-CG2 4.23Å; V212-V277 HydrophobicContact CG2-CG1 4.43Å; V212-V277 HydrophobicContact CG2-CG2 4.24Å; V212-E280 HydrophobicContact CG1-CB 4.45Å; V212-L281 HydrophobicContact CG2-CD1 4.48Å; V212-L281 HydrophobicContact CG2-CD2 3.87Å; V212-L281 HydrophobicContact CG2-CG 4.02Å
213S93.7Very high94.6Very high56 Ų5642.1 Ų42.139%0.39223%0.232SC..THydrogen-bonded Turntrans-62.3130.9-173.5-171.90000112.8L215 R276 E280S213-L215 PolarHBondContact O-N 2.69Å; S213-R276 PolarHBondContact O-NH1 2.91Å; S213-E280 WeakPolarHBondContact CA-OE2 3.13Å; S213-E280 WeakPolarHBondContact CB-OE1 3.24Å; S213-E280 WeakPolarHBondContact CB-OE2 3.35Å; S213-E280 PolarHBondContact N-OE2 3.39Å
214R92.1Very high94.6Very high214 Ų21441.3 Ų41.381%0.80823%0.228SC*.THydrogen-bonded Turntrans58.524.2-177.8-59.7170.4-78.6-170.8-5.2113.3V212V212-R214 PolarHBondContact O-N 2.89Å
215L95Very high94.6Very high22 Ų2245.1 Ų45.112%0.11526%0.255CS..  trans-96.699.5169.7-171.667.2000109.9L202 L203 V212 S213 A220 L223 M273L202-L215 HydrophobicContact CB-CD2 3.86Å; L202-L215 HydrophobicContact CD2-CD2 4Å; L202-L215 HydrophobicContact CG-CD2 4.38Å; L203-L215 WeakPolarHBondContact CD2-O 3.42Å; V212-L215 HydrophobicContact CB-CB 4.04Å; V212-L215 HydrophobicContact CB-CD2 3.94Å; V212-L215 HydrophobicContact CG1-CB 4.18Å; V212-L215 HydrophobicContact CG1-CD2 4.34Å; V212-L215 HydrophobicContact CG2-CD2 4.47Å; V212-L215 VanDerWaalsContact O-CB 3.31Å; V212-L215 WeakPolarHBondContact O-CB 3.29Å; V212-L215 PolarHBondContact O-N 2.99Å; V212-L215 VanDerWaalsContact O-N 3.16Å; S213-L215 PolarHBondContact O-N 2.69Å; L215-A220 HydrophobicContact CD2-CB 4.23Å; L215-A220 HydrophobicContact CG-CB 4.3Å; L215-L223 HydrophobicContact CD1-CD1 3.84Å; L215-L223 HydrophobicContact CD2-CD1 3.77Å; L215-L223 HydrophobicContact CG-CD1 4.47Å; L215-M273 HydrophobicContact CD1-CE 3.63Å
216G94.2Very high94.7Very high37 Ų3746.1 Ų46.138%0.38126%0.262SS..  trans-81.8171174.100000113.2V218 G219 A220G216-V218 VanDerWaalsContact C-N 3.33Å; G216-V218 PolarHBondContact O-N 3.33Å; G216-G219 WeakPolarHBondContact O-CA 2.87Å; G216-G219 PolarHBondContact O-N 2.9Å; G216-A220 PolarHBondContact O-N 3.46Å
217P95.9Very high94.9Very high51 Ų5146.1 Ų46.133%0.33126%0.262SS..Hα-helixtrans-48.2-46.2-179.8-32.938.2000115I9 G219 A220 L221I9-P217 HydrophobicContact CD1-CB 3.99Å; I9-P217 HydrophobicContact CG1-CB 3.79Å; P217-G219 VanDerWaalsContact C-N 3.3Å; P217-G219 PolarHBondContact O-N 3.37Å; P217-A220 PolarHBondContact O-N 2.96Å; P217-L221 WeakPolarHBondContact O-CG 3.44Å; P217-L221 PolarHBondContact O-N 3.36Å
218V95.7Very high94.8Very high126 Ų12648.8 Ų48.876%0.76427%0.273SS*.Hα-helixtrans-61.3-38.6177.7-179.50000111.7G216 R222G216-V218 VanDerWaalsContact C-N 3.33Å; G216-V218 PolarHBondContact O-N 3.33Å; V218-R222 WeakPolarHBondContact O-CB 3.15Å; V218-R222 PolarHBondContact O-N 3.04Å
219G96.8Very high94.4Very high17 Ų1748.8 Ų48.818%0.17528%0.28CS..Hα-helixtrans-69.7-43.5177.800000112.5G216 P217 R222 L223 M273G216-G219 WeakPolarHBondContact O-CA 2.87Å; G216-G219 PolarHBondContact O-N 2.9Å; P217-G219 VanDerWaalsContact C-N 3.3Å; P217-G219 PolarHBondContact O-N 3.37Å; G219-R222 PolarHBondContact O-N 3.11Å; G219-L223 WeakPolarHBondContact O-CG 3.45Å; G219-L223 PolarHBondContact O-N 2.93Å; G219-M273 WeakPolarHBondContact O-CE 3.28Å
220A97.5Very high94.1Very high0 Ų054 Ų540%031%0.311CS..Hα-helixtrans-64.7-43177.200000111.9L199 L202 L203 L215 G216 P217 R222 L223 I224L199-A220 HydrophobicContact CD2-CB 3.72Å; L202-A220 HydrophobicContact CB-CB 4.29Å; L202-A220 HydrophobicContact CD1-CB 4.38Å; L203-A220 HydrophobicContact CD1-CB 4.21Å; L203-A220 HydrophobicContact CD2-CB 3.61Å; L203-A220 HydrophobicContact CG-CB 3.82Å; L215-A220 HydrophobicContact CD2-CB 4.23Å; L215-A220 HydrophobicContact CG-CB 4.3Å; G216-A220 PolarHBondContact O-N 3.46Å; P217-A220 PolarHBondContact O-N 2.96Å; A220-R222 VanDerWaalsContact C-N 3.32Å; A220-R222 PolarHBondContact O-N 3.06Å; A220-L223 WeakPolarHBondContact O-CB 3.4Å; A220-L223 PolarHBondContact O-N 3.03Å; A220-I224 WeakPolarHBondContact O-CG1 3.47Å; A220-I224 PolarHBondContact O-N 2.74Å
221L97.2Very high93.8Very high49 Ų4954.9 Ų54.926%0.25732%0.318SS..Hα-helixtrans-60.1-40.9172.7-70.9172.6000112I9 L191 L199 P217 L223 I224 S225I9-L221 HydrophobicContact CD1-CD1 4.32Å; I9-L221 HydrophobicContact CD1-CD2 4.33Å; I9-L221 HydrophobicContact CD1-CG 4.17Å; I9-L221 HydrophobicContact CG1-CD1 4.13Å; I9-L221 HydrophobicContact CG2-CD1 4.02Å; I9-L221 HydrophobicContact CG2-CD2 4.02Å; I9-L221 HydrophobicContact CG2-CG 4.47Å; L191-L221 HydrophobicContact CD1-CD2 4Å; L191-L221 HydrophobicContact CD2-CD2 4.06Å; L199-L221 HydrophobicContact CD1-CD2 4.39Å; L199-L221 HydrophobicContact CD2-CD2 4.35Å; P217-L221 WeakPolarHBondContact O-CG 3.44Å; P217-L221 PolarHBondContact O-N 3.36Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.1Å; L221-I224 PolarHBondContact O-N 2.84Å; L221-S225 WeakPolarHBondContact O-CB 3.45Å; L221-S225 PolarHBondContact O-N 3.37Å; L221-S225 PolarHBondContact O-OG 3.15Å
222R96.8Very high93.5Very high117 Ų11756.3 Ų56.344%0.44232%0.324SS..Hα-helixtrans-62.5-37.2176.6-171.1178.6-176-173.3-0.6112.7V218 G219 A220 S226 S269 V270V218-R222 WeakPolarHBondContact O-CB 3.15Å; V218-R222 PolarHBondContact O-N 3.04Å; G219-R222 PolarHBondContact O-N 3.11Å; A220-R222 VanDerWaalsContact C-N 3.32Å; A220-R222 PolarHBondContact O-N 3.06Å; R222-S226 PolarHBondContact O-N 2.91Å; R222-S269 PolarHBondContact NH2-OG 2.86Å; R222-V270 HydrophobicContact CG-CG2 4.08Å
223L97.4Very high93.1Very high0 Ų063.1 Ų63.10%036%0.355CS..Hα-helixtrans-65-50.1174.1-71.9170.3000111.1L202 L215 G219 A220 L221 S225 S226 V270 M273 W274 V277L202-L223 HydrophobicContact CD1-CB 4.45Å; L202-L223 HydrophobicContact CD1-CD1 4.3Å; L202-L223 HydrophobicContact CD2-CD1 4.33Å; L215-L223 HydrophobicContact CD1-CD1 3.84Å; L215-L223 HydrophobicContact CD2-CD1 3.77Å; L215-L223 HydrophobicContact CG-CD1 4.47Å; G219-L223 WeakPolarHBondContact O-CG 3.45Å; G219-L223 PolarHBondContact O-N 2.93Å; A220-L223 WeakPolarHBondContact O-CB 3.4Å; A220-L223 PolarHBondContact O-N 3.03Å; L221-L223 VanDerWaalsContact C-N 3.32Å; L221-L223 PolarHBondContact O-N 3.1Å; L223-S225 PolarHBondContact O-N 2.96Å; L223-S226 WeakPolarHBondContact O-CB 3.48Å; L223-S226 PolarHBondContact O-N 3.44Å; L223-S226 PolarHBondContact O-OG 2.68Å; L223-V270 HydrophobicContact CD2-CG1 4.17Å; L223-M273 HydrophobicContact CD1-CE 4.24Å; L223-M273 HydrophobicContact CD2-CB 3.71Å; L223-M273 HydrophobicContact CD2-CE 4.36Å; L223-M273 HydrophobicContact CG-CB 4.41Å; L223-M273 HydrophobicContact CG-CE 3.96Å; L223-W274 HydrophobicContact CB-CH2 3.96Å; L223-W274 HydrophobicContact CB-CZ2 3.73Å; L223-W274 HydrophobicContact CD2-CD2 3.57Å; L223-W274 HydrophobicContact CD2-CE3 4.09Å; L223-W274 HydrophobicContact CD2-CG 3.81Å; L223-W274 HydrophobicContact CD2-CH2 4.44Å; L223-W274 HydrophobicContact CD2-CZ2 3.98Å; L223-W274 HydrophobicContact CD2-CZ3 4.49Å; L223-W274 HydrophobicContact CG-CZ2 4.42Å; L223-W274 WeakPolarHBondContact O-CZ2 3.18Å; L223-V277 HydrophobicContact CD1-CG2 3.89Å
224I96.7Very high93.1Very high1 Ų161.9 Ų61.91%0.00535%0.345CS..Hα-helixtrans-61.9-46.4-179.8-67.7-179.2000111.4L191 D195 L198 L199 L202 A220 L221 S226 L227L191-I224 HydrophobicContact CD2-CG2 4.21Å; D195-I224 HydrophobicContact CB-CD1 4.49Å; D195-I224 HydrophobicContact CB-CG2 4.04Å; D195-I224 WeakPolarHBondContact O-CD1 3.46Å; D195-I224 VanDerWaalsContact OD1-CG2 3.28Å; D195-I224 WeakPolarHBondContact OD1-CG2 3.45Å; L198-I224 HydrophobicContact CB-CD1 4.34Å; L198-I224 HydrophobicContact CD2-CD1 4.3Å; L198-I224 HydrophobicContact CD2-CG1 3.89Å; L198-I224 HydrophobicContact CG-CD1 4.23Å; L198-I224 HydrophobicContact CG-CG1 4.25Å; L199-I224 HydrophobicContact CB-CD1 4.42Å; L199-I224 HydrophobicContact CD1-CD1 4.5Å; L199-I224 HydrophobicContact CD2-CD1 3.47Å; L199-I224 VanDerWaalsContact CD2-CD1 3.47Å; L199-I224 HydrophobicContact CG-CD1 3.46Å; L199-I224 VanDerWaalsContact CG-CD1 3.46Å; L202-I224 HydrophobicContact CD1-CG1 4.29Å; A220-I224 WeakPolarHBondContact O-CG1 3.47Å; A220-I224 PolarHBondContact O-N 2.74Å; L221-I224 PolarHBondContact O-N 2.84Å; I224-S226 PolarHBondContact O-N 3.47Å; I224-S226 VanDerWaalsContact O-N 3.13Å; I224-L227 WeakPolarHBondContact O-CB 3.47Å; I224-L227 PolarHBondContact O-N 2.9Å
225S95.6Very high93.1Very high80 Ų8054.3 Ų54.356%0.55932%0.321SS*.Hα-helixtrans-57.1-29.1174.5-63.30000112.9L221 L223 L227 K228L221-S225 WeakPolarHBondContact O-CB 3.45Å; L221-S225 PolarHBondContact O-N 3.37Å; L221-S225 PolarHBondContact O-OG 3.15Å; L223-S225 PolarHBondContact O-N 2.96Å; S225-L227 VanDerWaalsContact C-N 3.28Å; S225-L227 PolarHBondContact O-N 2.77Å; S225-K228 PolarHBondContact O-N 3.36Å
226S95Very high93.1Very high22 Ų2256.5 Ų56.515%0.15433%0.331CS..Hα-helixtrans-71.5-19.8177.583.90000114R222 L223 I224 L264 W274R222-S226 PolarHBondContact O-N 2.91Å; L223-S226 WeakPolarHBondContact O-CB 3.48Å; L223-S226 PolarHBondContact O-N 3.44Å; L223-S226 PolarHBondContact O-OG 2.68Å; I224-S226 PolarHBondContact O-N 3.47Å; I224-S226 VanDerWaalsContact O-N 3.13Å; S226-L264 WeakPolarHBondContact O-CD1 3.39Å; S226-W274 PolarHBondContact OG-NE1 3.15Å; S226-W274 VanDerWaalsContact OG-NE1 3.12Å
227L95.5Very high93.2Very high0 Ų060.1 Ų60.10%034%0.337CS..Hα-helixtrans-83-19.7174.9-57.7177.9000112.5L198 I224 S225 S229 L232 V234 L239 F242 L264 W274L198-L227 HydrophobicContact CD2-CD1 3.99Å; I224-L227 WeakPolarHBondContact O-CB 3.47Å; I224-L227 PolarHBondContact O-N 2.9Å; S225-L227 VanDerWaalsContact C-N 3.28Å; S225-L227 PolarHBondContact O-N 2.77Å; L227-S229 PolarHBondContact O-N 2.85Å; L227-L232 WeakPolarHBondContact O-CD2 3.38Å; L227-V234 HydrophobicContact CB-CG2 4.06Å; L227-V234 VanDerWaalsContact O-CG2 3.3Å; L227-V234 WeakPolarHBondContact O-CG2 3.41Å; L227-L239 HydrophobicContact CD1-CD2 3.68Å; L227-F242 HydrophobicContact CD2-CD1 4.44Å; L227-F242 HydrophobicContact CD2-CE1 4.13Å; L227-F242 HydrophobicContact CD2-CZ 4.21Å; L227-L264 HydrophobicContact CD2-CD1 4.5Å; L227-L264 HydrophobicContact CD2-CD2 3.74Å; L227-W274 HydrophobicContact CD1-CH2 4.04Å; L227-W274 HydrophobicContact CD1-CZ2 3.94Å; L227-W274 HydrophobicContact CD2-CZ2 3.8Å; L227-W274 HydrophobicContact CG-CH2 4.43Å; L227-W274 HydrophobicContact CG-CZ2 3.83Å
228K91.2Very high93.2Very high61 Ų6158.6 Ų58.627%0.26533%0.326SS..  trans-80.146.7-174.4-60.7-169.2177.6-119.60113.4N190 D195 S225N190-K228 WeakPolarHBondContact O-CE 3.46Å; N190-K228 PolarHBondContact O-NZ 2.83Å; N190-K228 PolarHBondContact OD1-NZ 3.13Å; D195-K228 WeakPolarHBondContact OD1-CE 3.47Å; D195-K228 IonicContact OD1-NZ 2.74Å; D195-K228 WeakPolarHBondContact OD2-CE 3.35Å; D195-K228 IonicContact OD2-NZ 2.76Å; D195-K228 PolarHBondContact OD2-NZ 2.89Å; S225-K228 PolarHBondContact O-N 3.36Å
229S86Confident93.3Very high45 Ų4552.6 Ų52.632%0.31529%0.289SS..  trans-70.1139.6171.3-1780000110.5L227 S231 L232L227-S229 PolarHBondContact O-N 2.85Å; S229-S231 PolarHBondContact O-N 2.76Å; S229-S231 PolarHBondContact OG-N 3.39Å; S229-S231 PolarHBondContact OG-OG 3.42Å; S229-L232 PolarHBondContact O-N 3.11Å
230P83.4Confident93.3Very high141 Ų14153.3 Ų53.392%0.91629%0.289SS*.THydrogen-bonded Turntrans-56.8-21.7173.2-25.234.7000114.3L232P230-L232 VanDerWaalsContact C-N 3.32Å
231S84Confident93.3Very high101 Ų10158.4 Ų58.471%0.70631%0.311SS*.THydrogen-bonded Turntrans-82.9-0.8177.465.30000114.4S229S229-S231 PolarHBondContact O-N 2.76Å; S229-S231 PolarHBondContact OG-N 3.39Å; S229-S231 PolarHBondContact OG-OG 3.42Å
232L87.4Confident93.3Very high32 Ų3256.1 Ų56.117%0.16830%0.299CS..  trans-132.3116.7-165.5-153.468.7000111.2L227 S229 P230 V234 F238 L264L227-L232 WeakPolarHBondContact O-CD2 3.38Å; S229-L232 PolarHBondContact O-N 3.11Å; P230-L232 VanDerWaalsContact C-N 3.32Å; L232-V234 HydrophobicContact CD2-CG2 4.33Å; L232-V234 HydrophobicContact CG-CG2 4.43Å; L232-V234 PolarHBondContact O-N 3.15Å; L232-F238 HydrophobicContact CD1-CD2 4.43Å; L232-F238 HydrophobicContact CD1-CE2 3.82Å; L232-F238 HydrophobicContact CD1-CZ 4.32Å; L232-F238 HydrophobicContact CD2-CE1 4.07Å; L232-F238 HydrophobicContact CD2-CE2 3.86Å; L232-F238 HydrophobicContact CD2-CZ 3.48Å; L232-F238 VanDerWaalsContact CD2-CZ 3.48Å; L232-F238 HydrophobicContact CG-CD2 4.47Å; L232-F238 HydrophobicContact CG-CE2 3.93Å; L232-F238 HydrophobicContact CG-CZ 4.04Å; L232-L264 HydrophobicContact CD2-CD1 4.36Å
233H89Confident93.3Very high154 Ų15450.6 Ų50.671%0.71328%0.278SS*.  trans-83.4106.1170.3-166.968.1000109.1D235H233-D235 IonicContact CD2-OD2 2.8Å; H233-D235 PolarHBondContact O-N 2.7Å
234V92Very high93.3Very high29 Ų2952.5 Ų52.518%0.17629%0.291CS..  trans-90.794.9-179.9-178.10000109L227 L232 F238 L239L227-V234 HydrophobicContact CB-CG2 4.06Å; L227-V234 VanDerWaalsContact O-CG2 3.3Å; L227-V234 WeakPolarHBondContact O-CG2 3.41Å; L232-V234 HydrophobicContact CD2-CG2 4.33Å; L232-V234 HydrophobicContact CG-CG2 4.43Å; L232-V234 PolarHBondContact O-N 3.15Å; V234-F238 HydrophobicContact CB-CD1 4.28Å; V234-F238 HydrophobicContact CG1-CD1 4.02Å; V234-F238 HydrophobicContact CG1-CE1 4.45Å; V234-F238 HydrophobicContact CG2-CD1 4.16Å; V234-F238 HydrophobicContact CG2-CE1 4.19Å; V234-L239 HydrophobicContact CG1-CD1 4.28Å; V234-L239 HydrophobicContact CG1-CD2 3.69Å; V234-L239 HydrophobicContact CG1-CG 3.91Å
235D93.7Very high93.3Very high56 Ų5654.1 Ų54.130%0.29930%0.297SS..  trans-112.1178.9169.566.420.6000111.4H233 H237 F238 L239H233-D235 IonicContact CD2-OD2 2.8Å; H233-D235 PolarHBondContact O-N 2.7Å; D235-H237 VanDerWaalsContact C-N 3.29Å; D235-H237 PolarHBondContact O-N 3.3Å; D235-H237 PolarHBondContact OD1-N 3.3Å; D235-H237 VanDerWaalsContact OD1-N 3.09Å; D235-F238 PolarHBondContact O-N 3.35Å; D235-F238 WeakPolarHBondContact OD1-CB 3.43Å; D235-F238 PolarHBondContact OD1-N 3.1Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 2.78Å
236E94.8Very high93.4Very high68 Ų6850.3 Ų50.332%0.31827%0.271SS..Hα-helixtrans-51.5-46.4175.8172.5175.1-171.900112.8L239 I240 F290 L294E236-L239 PolarHBondContact O-N 3.37Å; E236-I240 HydrophobicContact CG-CD1 3.87Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.37Å; E236-F290 HydrophobicContact CG-CB 4.42Å; E236-L294 HydrophobicContact CB-CD1 3.72Å; E236-L294 HydrophobicContact CG-CD1 3.6Å; E236-L294 WeakPolarHBondContact OE2-CD1 3.27Å
237H95.5Very high93.4Very high112 Ų11249.6 Ų49.652%0.51927%0.265SS..Hα-helixtrans-73.2-34.2-174.3163.5-107.4000112.1D235 K241D235-H237 VanDerWaalsContact C-N 3.29Å; D235-H237 PolarHBondContact O-N 3.3Å; D235-H237 PolarHBondContact OD1-N 3.3Å; D235-H237 VanDerWaalsContact OD1-N 3.09Å; H237-K241 PolarHBondContact CE1-NZ 2.9Å; H237-K241 WeakPolarHBondContact NE2-CE 3.29Å; H237-K241 PolarHBondContact NE2-NZ 2.88Å; H237-K241 WeakPolarHBondContact O-CB 3.22Å; H237-K241 WeakPolarHBondContact O-CG 3.39Å; H237-K241 PolarHBondContact O-N 3.05Å
238F96.2Very high93.4Very high20 Ų2054 Ų549%0.08830%0.296CS..Hα-helixtrans-61.7-48.5166.7171.3-91.5000110.9L232 V234 D235 I240 K241 F242 F262L232-F238 HydrophobicContact CD1-CD2 4.43Å; L232-F238 HydrophobicContact CD1-CE2 3.82Å; L232-F238 HydrophobicContact CD1-CZ 4.32Å; L232-F238 HydrophobicContact CD2-CE1 4.07Å; L232-F238 HydrophobicContact CD2-CE2 3.86Å; L232-F238 HydrophobicContact CD2-CZ 3.48Å; L232-F238 VanDerWaalsContact CD2-CZ 3.48Å; L232-F238 HydrophobicContact CG-CD2 4.47Å; L232-F238 HydrophobicContact CG-CE2 3.93Å; L232-F238 HydrophobicContact CG-CZ 4.04Å; V234-F238 HydrophobicContact CB-CD1 4.28Å; V234-F238 HydrophobicContact CG1-CD1 4.02Å; V234-F238 HydrophobicContact CG1-CE1 4.45Å; V234-F238 HydrophobicContact CG2-CD1 4.16Å; V234-F238 HydrophobicContact CG2-CE1 4.19Å; D235-F238 PolarHBondContact O-N 3.35Å; D235-F238 WeakPolarHBondContact OD1-CB 3.43Å; D235-F238 PolarHBondContact OD1-N 3.1Å; F238-I240 PolarHBondContact O-N 2.92Å; F238-K241 PolarHBondContact O-N 2.88Å; F238-F242 HydrophobicContact CE1-CB 4.11Å; F238-F242 HydrophobicContact CE1-CG 4.49Å; F238-F242 HydrophobicContact CZ-CB 4.06Å; F238-F242 HydrophobicContact CZ-CD2 4.43Å; F238-F242 HydrophobicContact CZ-CG 4.35Å; F238-F242 WeakPolarHBondContact O-CB 3.27Å; F238-F242 PolarHBondContact O-N 2.83Å; F238-F262 HydrophobicContact CD2-CD1 4.17Å; F238-F262 HydrophobicContact CE2-CB 4Å; F238-F262 AromaticContact CE2-CD1 3.59Å; F238-F262 HydrophobicContact CE2-CD1 3.59Å; F238-F262 HydrophobicContact CE2-CE1 4.29Å; F238-F262 AromaticContact CE2-CG 3.85Å; F238-F262 HydrophobicContact CE2-CG 3.85Å; F238-F262 HydrophobicContact CZ-CD1 4.49Å; F238-F262 HydrophobicContact CZ-CG 4.42Å
239L97.2Very high93.6Very high0 Ų055 Ų550%031%0.308CS..Hα-helixtrans-63.1-43.4-178.4-71.3-179.4000112.2C194 L198 L227 V234 D235 E236 F242 L243 F290C194-L239 HydrophobicContact CB-CD1 4.08Å; L198-L239 HydrophobicContact CB-CD1 4.34Å; L198-L239 HydrophobicContact CD2-CD1 4.17Å; L198-L239 HydrophobicContact CD2-CD2 3.75Å; L227-L239 HydrophobicContact CD1-CD2 3.68Å; V234-L239 HydrophobicContact CG1-CD1 4.28Å; V234-L239 HydrophobicContact CG1-CD2 3.69Å; V234-L239 HydrophobicContact CG1-CG 3.91Å; D235-L239 WeakPolarHBondContact O-CG 3.49Å; D235-L239 PolarHBondContact O-N 2.78Å; E236-L239 PolarHBondContact O-N 3.37Å; L239-F242 PolarHBondContact O-N 3.43Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.46Å; L239-F290 HydrophobicContact CB-CE2 4.21Å; L239-F290 HydrophobicContact CB-CZ 3.88Å; L239-F290 HydrophobicContact CD1-CE1 4.09Å; L239-F290 HydrophobicContact CD1-CZ 3.89Å
240I97.3Very high93.8Very high32 Ų3254.1 Ų54.116%0.16430%0.301CS..Hα-helixtrans-58.3-50.1173.3-74.2168.5000110.6E236 F238 F242 L243 S244 E287 F290E236-I240 HydrophobicContact CG-CD1 3.87Å; E236-I240 WeakPolarHBondContact O-CG1 3.48Å; E236-I240 PolarHBondContact O-N 3.37Å; F238-I240 PolarHBondContact O-N 2.92Å; I240-F242 VanDerWaalsContact C-N 3.35Å; I240-F242 PolarHBondContact O-N 2.95Å; I240-L243 PolarHBondContact O-N 2.91Å; I240-S244 WeakPolarHBondContact O-CB 3.46Å; I240-S244 PolarHBondContact O-N 2.93Å; I240-E287 HydrophobicContact CG2-CG 3.86Å; I240-F290 HydrophobicContact CD1-CB 4.1Å; I240-F290 HydrophobicContact CD1-CD2 4.41Å; I240-F290 HydrophobicContact CD1-CG 4.48Å; I240-F290 HydrophobicContact CG1-CB 4.36Å; I240-F290 HydrophobicContact CG1-CD2 3.74Å; I240-F290 HydrophobicContact CG1-CE2 4.4Å; I240-F290 HydrophobicContact CG1-CG 4.26Å
241K97.1Very high94.3Very high106 Ų10647.8 Ų47.846%0.46126%0.26SS..Hα-helixtrans-62.8-39178.4-79.1178.7166.2172.90113.1H237 F238 W245 F262H237-K241 PolarHBondContact CE1-NZ 2.9Å; H237-K241 WeakPolarHBondContact NE2-CE 3.29Å; H237-K241 PolarHBondContact NE2-NZ 2.88Å; H237-K241 WeakPolarHBondContact O-CB 3.22Å; H237-K241 WeakPolarHBondContact O-CG 3.39Å; H237-K241 PolarHBondContact O-N 3.05Å; F238-K241 PolarHBondContact O-N 2.88Å; K241-W245 WeakPolarHBondContact O-CB 3.43Å; K241-W245 PolarHBondContact O-N 3.44Å; K241-F262 HydrophobicContact CB-CE1 4.12Å; K241-F262 HydrophobicContact CB-CZ 4.23Å
242F96.8Very high94.7Very high1 Ų149.6 Ų49.60%0.00426%0.257CS..Hα-helixtrans-66-47.3177.9176.1-103.9000111.5L227 F238 L239 I240 W245 L246 F257 F262 L264 W274L227-F242 HydrophobicContact CD2-CD1 4.44Å; L227-F242 HydrophobicContact CD2-CE1 4.13Å; L227-F242 HydrophobicContact CD2-CZ 4.21Å; F238-F242 HydrophobicContact CE1-CB 4.11Å; F238-F242 HydrophobicContact CE1-CG 4.49Å; F238-F242 HydrophobicContact CZ-CB 4.06Å; F238-F242 HydrophobicContact CZ-CD2 4.43Å; F238-F242 HydrophobicContact CZ-CG 4.35Å; F238-F242 WeakPolarHBondContact O-CB 3.27Å; F238-F242 PolarHBondContact O-N 2.83Å; L239-F242 PolarHBondContact O-N 3.43Å; I240-F242 VanDerWaalsContact C-N 3.35Å; I240-F242 PolarHBondContact O-N 2.95Å; F242-W245 HydrophobicContact CD2-CE3 4.19Å; F242-W245 HydrophobicContact CD2-CZ3 4.46Å; F242-W245 HydrophobicContact CE2-CE3 4.1Å; F242-W245 AromaticContact CE2-CZ3 3.92Å; F242-W245 HydrophobicContact CE2-CZ3 3.92Å; F242-W245 PolarHBondContact O-N 3.5Å; F242-L246 HydrophobicContact CE1-CD2 4.14Å; F242-L246 HydrophobicContact CZ-CD2 4.34Å; F242-L246 WeakPolarHBondContact O-CB 3.31Å; F242-L246 PolarHBondContact O-N 3.16Å; F242-F257 HydrophobicContact CE2-CZ 4.32Å; F242-F257 HydrophobicContact CZ-CE2 4.38Å; F242-F257 HydrophobicContact CZ-CZ 4.23Å; F242-F262 HydrophobicContact CB-CE2 4.27Å; F242-F262 HydrophobicContact CB-CZ 4.34Å; F242-F262 AromaticContact CD2-CD2 3.78Å; F242-F262 HydrophobicContact CD2-CD2 3.78Å; F242-F262 AromaticContact CD2-CE2 3.83Å; F242-F262 HydrophobicContact CD2-CE2 3.83Å; F242-L264 HydrophobicContact CE2-CD2 3.74Å; F242-L264 HydrophobicContact CZ-CD2 4.09Å; F242-W274 AromaticContact CE1-CD2 4Å; F242-W274 HydrophobicContact CE1-CD2 4Å; F242-W274 AromaticContact CE1-CE3 3.76Å; F242-W274 HydrophobicContact CE1-CE3 3.76Å; F242-W274 AromaticContact CE1-CH2 3.79Å; F242-W274 HydrophobicContact CE1-CH2 3.79Å; F242-W274 AromaticContact CE1-CZ2 3.99Å; F242-W274 HydrophobicContact CE1-CZ2 3.99Å; F242-W274 AromaticContact CE1-CZ3 3.67Å; F242-W274 HydrophobicContact CE1-CZ3 3.67Å; F242-W274 AromaticContact CZ-CD2 3.95Å; F242-W274 HydrophobicContact CZ-CD2 3.95Å; F242-W274 HydrophobicContact CZ-CE3 4.13Å; F242-W274 HydrophobicContact CZ-CG 4.41Å; F242-W274 HydrophobicContact CZ-CZ2 4.38Å; F242-W274 HydrophobicContact CZ-CZ3 4.45Å
243L97.5Very high95Very high1 Ų150.9 Ų50.91%0.00526%0.264CS..Hα-helixtrans-63.5-42.4175.4-69179.2000111.5L198 L239 I240 L246 T247 L281 Y286 F290L198-L243 HydrophobicContact CD1-CD1 4.31Å; L239-L243 WeakPolarHBondContact O-CB 3.27Å; L239-L243 WeakPolarHBondContact O-CG 3.35Å; L239-L243 PolarHBondContact O-N 3.46Å; I240-L243 PolarHBondContact O-N 2.91Å; L243-L246 PolarHBondContact O-N 3.22Å; L243-T247 WeakPolarHBondContact O-CB 3.23Å; L243-T247 WeakPolarHBondContact O-CG2 3.46Å; L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.98Å; L243-L281 HydrophobicContact CD2-CD1 4.17Å; L243-Y286 HydrophobicContact CB-CD1 4.25Å; L243-Y286 HydrophobicContact CB-CD2 3.88Å; L243-Y286 HydrophobicContact CB-CE1 4.24Å; L243-Y286 HydrophobicContact CB-CE2 3.87Å; L243-Y286 HydrophobicContact CB-CG 4.12Å; L243-Y286 HydrophobicContact CD1-CD1 4.35Å; L243-Y286 HydrophobicContact CD1-CD2 4.01Å; L243-Y286 HydrophobicContact CD1-CG 3.79Å; L243-F290 HydrophobicContact CD1-CE2 3.95Å
244S97.2Very high95.2Very high40 Ų4045.1 Ų45.128%0.2824%0.241SC..Hα-helixtrans-59.4-46.9176-175.80000112.9I240 T247 S248 Y286I240-S244 WeakPolarHBondContact O-CB 3.46Å; I240-S244 PolarHBondContact O-N 2.93Å; S244-T247 PolarHBondContact O-OG1 2.84Å; S244-S248 WeakPolarHBondContact O-CB 3.33Å; S244-S248 PolarHBondContact O-N 2.96Å; S244-S248 PolarHBondContact O-OG 3.06Å; S244-Y286 VanDerWaalsContact CA-OH 3.27Å; S244-Y286 WeakPolarHBondContact CA-OH 3.5Å
245W97.2Very high95.3Very high36 Ų3650.7 Ų50.714%0.13627%0.265CS..Hα-helixtrans-60.8-46.1172.2167.176.5000111.8K241 F242 T249 P251 F257 N260 P261 F262K241-W245 WeakPolarHBondContact O-CB 3.43Å; K241-W245 PolarHBondContact O-N 3.44Å; F242-W245 HydrophobicContact CD2-CE3 4.19Å; F242-W245 HydrophobicContact CD2-CZ3 4.46Å; F242-W245 HydrophobicContact CE2-CE3 4.1Å; F242-W245 AromaticContact CE2-CZ3 3.92Å; F242-W245 HydrophobicContact CE2-CZ3 3.92Å; F242-W245 PolarHBondContact O-N 3.5Å; W245-T249 VanDerWaalsContact CD1-OG1 3.25Å; W245-T249 PolarHBondContact NE1-OG1 3.16Å; W245-T249 WeakPolarHBondContact O-CB 3.32Å; W245-T249 PolarHBondContact O-N 2.82Å; W245-T249 PolarHBondContact O-OG1 3.38Å; W245-P251 HydrophobicContact CH2-CG 3.66Å; W245-P251 HydrophobicContact CZ2-CG 3.73Å; W245-P251 HydrophobicContact CZ3-CG 4.47Å; W245-F257 AromaticContact CH2-CD2 3.76Å; W245-F257 HydrophobicContact CH2-CD2 3.76Å; W245-F257 HydrophobicContact CH2-CE2 4Å; W245-F257 HydrophobicContact CH2-CG 4.29Å; W245-F257 HydrophobicContact CZ3-CD2 4.1Å; W245-F257 AromaticContact CZ3-CE2 3.87Å; W245-F257 HydrophobicContact CZ3-CE2 3.87Å; W245-N260 HydrophobicContact CD2-CB 4.34Å; W245-N260 HydrophobicContact CE3-CB 4.25Å; W245-N260 HydrophobicContact CH2-CB 3.37Å; W245-N260 HydrophobicContact CZ2-CB 3.45Å; W245-N260 VanDerWaalsContact CZ2-CB 3.45Å; W245-N260 HydrophobicContact CZ3-CB 3.79Å; W245-P261 HydrophobicContact CG-CG 4.31Å; W245-F262 HydrophobicContact CB-CE2 3.84Å; W245-F262 HydrophobicContact CB-CZ 4.05Å; W245-F262 HydrophobicContact CD2-CE2 4.02Å; W245-F262 HydrophobicContact CE3-CD2 4.47Å; W245-F262 AromaticContact CE3-CE2 3.96Å; W245-F262 HydrophobicContact CE3-CE2 3.96Å; W245-F262 AromaticContact CG-CE2 3.95Å; W245-F262 HydrophobicContact CG-CE2 3.95Å
246L97.1Very high95.3Very high0 Ų050.7 Ų50.70%027%0.265CS..Hα-helixtrans-65.3-40.8-175-174.967.3000112.5F242 L243 C250 P251 F257 W274 V277F242-L246 HydrophobicContact CE1-CD2 4.14Å; F242-L246 HydrophobicContact CZ-CD2 4.34Å; F242-L246 WeakPolarHBondContact O-CB 3.31Å; F242-L246 PolarHBondContact O-N 3.16Å; L243-L246 PolarHBondContact O-N 3.22Å; L246-C250 WeakPolarHBondContact O-CA 3.32Å; L246-C250 PolarHBondContact O-N 3.08Å; L246-C250 VanDerWaalsContact O-N 3.13Å; L246-P251 HydrophobicContact CD1-CG 4.48Å; L246-F257 HydrophobicContact CD1-CD2 4.29Å; L246-F257 HydrophobicContact CD1-CE2 3.96Å; L246-W274 HydrophobicContact CD2-CE3 3.77Å; L246-W274 HydrophobicContact CD2-CZ3 4.44Å; L246-V277 HydrophobicContact CD2-CB 4.31Å; L246-V277 HydrophobicContact CD2-CG1 4.1Å
247T96.5Very high95.4Very high7 Ų747.5 Ų47.54%0.04325%0.25CC..Hα-helixtrans-81.2-34.8179.856.60000113L243 S244 L281 Y286L243-T247 WeakPolarHBondContact O-CB 3.23Å; L243-T247 WeakPolarHBondContact O-CG2 3.46Å; L243-T247 PolarHBondContact O-N 3.45Å; L243-T247 PolarHBondContact O-OG1 2.98Å; S244-T247 PolarHBondContact O-OG1 2.84Å; T247-L281 HydrophobicContact CG2-CB 4.06Å; T247-Y286 HydrophobicContact CG2-CE1 4.05Å; T247-Y286 PolarHBondContact OG1-OH 2.93Å
248S95.4Very high95.3Very high92 Ų9244.4 Ų44.464%0.64324%0.237SC*.Hα-helixtrans-76.5-45.7178.2-57.30000112.6S244S244-S248 WeakPolarHBondContact O-CB 3.33Å; S244-S248 PolarHBondContact O-N 2.96Å; S244-S248 PolarHBondContact O-OG 3.06Å
249T94Very high95.2Very high83 Ų8350.3 Ų50.351%0.50927%0.269SS..Hα-helixtrans-78.1-33.7-179.2-51.40000111.4W245W245-T249 VanDerWaalsContact CD1-OG1 3.25Å; W245-T249 PolarHBondContact NE1-OG1 3.16Å; W245-T249 WeakPolarHBondContact O-CB 3.32Å; W245-T249 PolarHBondContact O-N 2.82Å; W245-T249 PolarHBondContact O-OG1 3.38Å
250C91.2Very high95.1Very high26 Ų2650.8 Ų50.818%0.17627%0.271CS..  trans45.167.6-177.5-163.30000112.7L246 Q252L246-C250 WeakPolarHBondContact O-CA 3.32Å; L246-C250 PolarHBondContact O-N 3.08Å; L246-C250 VanDerWaalsContact O-N 3.13Å; C250-Q252 PolarHBondContact O-N 3.06Å; C250-Q252 PolarHBondContact O-NE2 3.16Å
251P93.1Very high95Very high7 Ų753.7 Ų53.75%0.04529%0.292CS..  trans-57.7139-179-19.131.2000111.3W245 L246 D256 F257 L275W245-P251 HydrophobicContact CH2-CG 3.66Å; W245-P251 HydrophobicContact CZ2-CG 3.73Å; W245-P251 HydrophobicContact CZ3-CG 4.47Å; L246-P251 HydrophobicContact CD1-CG 4.48Å; P251-D256 HydrophobicContact CB-CB 3.71Å; P251-F257 HydrophobicContact CB-CB 4.29Å; P251-F257 HydrophobicContact CG-CD2 4.46Å; P251-L275 HydrophobicContact CB-CD2 3.92Å; P251-L275 WeakPolarHBondContact O-CD2 3.34Å
252Q92.2Very high94.8Very high140 Ų14050.9 Ų50.965%0.65428%0.28SS*.  trans-97.4-26.2-173.6-61-60.1-56.700112.9C250 D256 L275C250-Q252 PolarHBondContact O-N 3.06Å; C250-Q252 PolarHBondContact O-NE2 3.16Å; Q252-D256 WeakPolarHBondContact CA-OD2 3.47Å; Q252-D256 WeakPolarHBondContact CB-OD2 3.26Å; Q252-D256 PolarHBondContact N-OD2 3.45Å; Q252-L275 WeakPolarHBondContact O-CD1 3.43Å
253N94.3Very high94.5Very high58 Ų5853.3 Ų53.331%0.3131%0.306SS..SBendtrans-138.4-173.1-177.36858.4000112.6E255 D256 F257N253-E255 WeakPolarHBondContact OD1-CA 3.37Å; N253-E255 WeakPolarHBondContact OD1-CB 3.43Å; N253-E255 PolarHBondContact OD1-N 2.88Å; N253-D256 VanDerWaalsContact CG-CG 3.42Å; N253-D256 PolarHBondContact N-OD2 3.47Å; N253-D256 VanDerWaalsContact N-OD2 3.08Å; N253-D256 PolarHBondContact ND2-OD1 3.27Å; N253-D256 PolarHBondContact ND2-OD2 3.33Å; N253-D256 PolarHBondContact OD1-N 3.42Å; N253-D256 PolarHBondContact OD1-OD1 3.4Å; N253-F257 PolarHBondContact O-N 3.32Å
254C93.7Very high94.2Very high33 Ų3353.6 Ų53.622%0.22331%0.307CS..Hα-helixtrans-77.1-29.4-179-66.90000114.1N258 I271C254-N258 WeakPolarHBondContact O-CB 3.41Å; C254-N258 VanDerWaalsContact O-CG 3.28Å; C254-N258 PolarHBondContact O-N 2.88Å; C254-N258 VanDerWaalsContact O-N 3.16Å; C254-N258 PolarHBondContact O-ND2 3.01Å; C254-I271 HydrophobicContact CB-CD1 4.07Å; C254-I271 HydrophobicContact CB-CG2 4.46Å
255E93.8Very high93.9Very high147 Ų14759 Ų5969%0.68732%0.321SS*.Hα-helixtrans-68-49174.2-69.6126.5-138.900110.2N253 F257 N258 L259N253-E255 WeakPolarHBondContact OD1-CA 3.37Å; N253-E255 WeakPolarHBondContact OD1-CB 3.43Å; N253-E255 PolarHBondContact OD1-N 2.88Å; E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 2.84Å; E255-N258 WeakPolarHBondContact O-CA 3.45Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.92Å; E255-L259 PolarHBondContact O-N 3.24Å
256D94.2Very high93.7Very high56 Ų5658.5 Ų58.530%0.29932%0.322SS..Hα-helixtrans-53.8-47.3175.8-53.6-15.9000111.6P251 Q252 N253 N258 L259P251-D256 HydrophobicContact CB-CB 3.71Å; Q252-D256 WeakPolarHBondContact CA-OD2 3.47Å; Q252-D256 WeakPolarHBondContact CB-OD2 3.26Å; Q252-D256 PolarHBondContact N-OD2 3.45Å; N253-D256 VanDerWaalsContact CG-CG 3.42Å; N253-D256 PolarHBondContact N-OD2 3.47Å; N253-D256 VanDerWaalsContact N-OD2 3.08Å; N253-D256 PolarHBondContact ND2-OD1 3.27Å; N253-D256 PolarHBondContact ND2-OD2 3.33Å; N253-D256 PolarHBondContact OD1-N 3.42Å; N253-D256 PolarHBondContact OD1-OD1 3.4Å; D256-N258 VanDerWaalsContact C-N 3.28Å; D256-N258 PolarHBondContact O-N 3.36Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 PolarHBondContact O-N 3.2Å
257F96.1Very high93.6Very high0 Ų061.4 Ų61.40%034%0.342CS..Hα-helixtrans-65.7-32.8179.4-173.2-86.5000112.1F242 W245 L246 P251 N253 E255 L259 N260 L264 V266 I271 W274 L275F242-F257 HydrophobicContact CE2-CZ 4.32Å; F242-F257 HydrophobicContact CZ-CE2 4.38Å; F242-F257 HydrophobicContact CZ-CZ 4.23Å; W245-F257 AromaticContact CH2-CD2 3.76Å; W245-F257 HydrophobicContact CH2-CD2 3.76Å; W245-F257 HydrophobicContact CH2-CE2 4Å; W245-F257 HydrophobicContact CH2-CG 4.29Å; W245-F257 HydrophobicContact CZ3-CD2 4.1Å; W245-F257 AromaticContact CZ3-CE2 3.87Å; W245-F257 HydrophobicContact CZ3-CE2 3.87Å; L246-F257 HydrophobicContact CD1-CD2 4.29Å; L246-F257 HydrophobicContact CD1-CE2 3.96Å; P251-F257 HydrophobicContact CB-CB 4.29Å; P251-F257 HydrophobicContact CG-CD2 4.46Å; N253-F257 PolarHBondContact O-N 3.32Å; E255-F257 VanDerWaalsContact C-N 3.32Å; E255-F257 PolarHBondContact O-N 2.84Å; F257-L259 PolarHBondContact O-N 3.01Å; F257-N260 WeakPolarHBondContact O-CB 3.31Å; F257-N260 PolarHBondContact O-N 2.95Å; F257-N260 VanDerWaalsContact O-N 3.16Å; F257-N260 PolarHBondContact O-ND2 3.42Å; F257-L264 HydrophobicContact CE1-CD2 4.25Å; F257-L264 HydrophobicContact CZ-CD2 4.02Å; F257-V266 HydrophobicContact CE1-CG2 4.01Å; F257-I271 HydrophobicContact CB-CG2 3.53Å; F257-I271 HydrophobicContact CD1-CB 4.38Å; F257-I271 HydrophobicContact CD1-CD1 3.99Å; F257-I271 HydrophobicContact CD1-CG1 3.79Å; F257-I271 HydrophobicContact CD1-CG2 3.91Å; F257-I271 HydrophobicContact CD2-CG2 4.14Å; F257-I271 HydrophobicContact CE1-CG1 4.19Å; F257-I271 HydrophobicContact CG-CG1 4.38Å; F257-I271 HydrophobicContact CG-CG2 3.58Å; F257-W274 HydrophobicContact CD2-CB 4.36Å; F257-W274 HydrophobicContact CE2-CB 3.6Å; F257-W274 HydrophobicContact CE2-CG 4.03Å; F257-W274 HydrophobicContact CZ-CB 4.05Å; F257-W274 AromaticContact CZ-CD1 3.77Å; F257-W274 HydrophobicContact CZ-CG 4.02Å; F257-L275 HydrophobicContact CB-CD2 4.15Å; F257-L275 HydrophobicContact CD2-CD2 3.94Å; F257-L275 HydrophobicContact CG-CD2 4.41Å
258N94.3Very high93.5Very high48 Ų4864.9 Ų64.926%0.25737%0.365SS..Hα-helixtrans-71.1-9.7174.9-76.8-41.7000113C254 E255 D256 N260 R265C254-N258 WeakPolarHBondContact O-CB 3.41Å; C254-N258 VanDerWaalsContact O-CG 3.28Å; C254-N258 PolarHBondContact O-N 2.88Å; C254-N258 VanDerWaalsContact O-N 3.16Å; C254-N258 PolarHBondContact O-ND2 3.01Å; E255-N258 WeakPolarHBondContact O-CA 3.45Å; E255-N258 WeakPolarHBondContact O-CB 3.38Å; E255-N258 PolarHBondContact O-N 2.92Å; D256-N258 VanDerWaalsContact C-N 3.28Å; D256-N258 PolarHBondContact O-N 3.36Å; N258-N260 VanDerWaalsContact C-N 3.26Å; N258-N260 PolarHBondContact O-N 3.24Å; N258-R265 PolarHBondContact O-NH1 3.4Å; N258-R265 PolarHBondContact O-NH2 2.92Å
259L94.1Very high93.5Very high144 Ų14463 Ų6375%0.75435%0.352SS*.THydrogen-bonded Turntrans-85.69.5169.4-58.5176.1000113.4E255 D256 F257E255-L259 PolarHBondContact O-N 3.24Å; D256-L259 WeakPolarHBondContact O-CB 3.49Å; D256-L259 PolarHBondContact O-N 3.2Å; F257-L259 PolarHBondContact O-N 3.01Å
260N94.2Very high93.6Very high9 Ų959.4 Ų59.45%0.04833%0.329CS..  trans-57.2142177.274.285.4000112.8W245 F257 N258 F262 G263 L264W245-N260 HydrophobicContact CD2-CB 4.34Å; W245-N260 HydrophobicContact CE3-CB 4.25Å; W245-N260 HydrophobicContact CH2-CB 3.37Å; W245-N260 HydrophobicContact CZ2-CB 3.45Å; W245-N260 VanDerWaalsContact CZ2-CB 3.45Å; W245-N260 HydrophobicContact CZ3-CB 3.79Å; F257-N260 WeakPolarHBondContact O-CB 3.31Å; F257-N260 PolarHBondContact O-N 2.95Å; F257-N260 VanDerWaalsContact O-N 3.16Å; F257-N260 PolarHBondContact O-ND2 3.42Å; N258-N260 VanDerWaalsContact C-N 3.26Å; N258-N260 PolarHBondContact O-N 3.24Å; N260-F262 HydrophobicContact CB-CD2 4.26Å; N260-F262 PolarHBondContact O-N 3.34Å; N260-F262 VanDerWaalsContact O-N 3.13Å; N260-F262 WeakPolarHBondContact OD1-CB 3.25Å; N260-F262 PolarHBondContact OD1-N 3.11Å; N260-F262 VanDerWaalsContact OD1-N 3.16Å; N260-G263 PolarHBondContact OD1-N 3.49Å; N260-L264 PolarHBondContact ND2-O 2.94Å; N260-L264 WeakPolarHBondContact OD1-CB 3.26Å; N260-L264 PolarHBondContact OD1-N 2.86Å
261P94.5Very high93.9Very high93 Ų9358.2 Ų58.260%0.60432%0.321SS*.THydrogen-bonded Turntrans-73.8-3-175.831.5-37.1000113.8W245W245-P261 HydrophobicContact CG-CG 4.31Å
262F93.4Very high94Very high47 Ų4764.8 Ų64.821%0.20635%0.349CS..THydrogen-bonded Turntrans-96.5-2.1-174.5-48.4-73.2000113.3F238 K241 F242 W245 N260 L264F238-F262 HydrophobicContact CD2-CD1 4.17Å; F238-F262 HydrophobicContact CE2-CB 4Å; F238-F262 AromaticContact CE2-CD1 3.59Å; F238-F262 HydrophobicContact CE2-CD1 3.59Å; F238-F262 HydrophobicContact CE2-CE1 4.29Å; F238-F262 AromaticContact CE2-CG 3.85Å; F238-F262 HydrophobicContact CE2-CG 3.85Å; F238-F262 HydrophobicContact CZ-CD1 4.49Å; F238-F262 HydrophobicContact CZ-CG 4.42Å; K241-F262 HydrophobicContact CB-CE1 4.12Å; K241-F262 HydrophobicContact CB-CZ 4.23Å; F242-F262 HydrophobicContact CB-CE2 4.27Å; F242-F262 HydrophobicContact CB-CZ 4.34Å; F242-F262 AromaticContact CD2-CD2 3.78Å; F242-F262 HydrophobicContact CD2-CD2 3.78Å; F242-F262 AromaticContact CD2-CE2 3.83Å; F242-F262 HydrophobicContact CD2-CE2 3.83Å; W245-F262 HydrophobicContact CB-CE2 3.84Å; W245-F262 HydrophobicContact CB-CZ 4.05Å; W245-F262 HydrophobicContact CD2-CE2 4.02Å; W245-F262 HydrophobicContact CE3-CD2 4.47Å; W245-F262 AromaticContact CE3-CE2 3.96Å; W245-F262 HydrophobicContact CE3-CE2 3.96Å; W245-F262 AromaticContact CG-CE2 3.95Å; W245-F262 HydrophobicContact CG-CE2 3.95Å; N260-F262 HydrophobicContact CB-CD2 4.26Å; N260-F262 PolarHBondContact O-N 3.34Å; N260-F262 VanDerWaalsContact O-N 3.13Å; N260-F262 WeakPolarHBondContact OD1-CB 3.25Å; N260-F262 PolarHBondContact OD1-N 3.11Å; N260-F262 VanDerWaalsContact OD1-N 3.16Å; F262-L264 PolarHBondContact O-N 3.38Å
263G90.2Very high94.2Very high52 Ų5260 Ų6054%0.53633%0.327SS..  trans66.913.6-17400000113.9N260 R265N260-G263 PolarHBondContact OD1-N 3.49Å; G263-R265 PolarHBondContact O-N 3.18Å
264L91.8Very high94.3Very high7 Ų757.2 Ų57.24%0.03731%0.312CS..  trans-66131-177.6-176.563.8000110S226 L227 L232 F242 F257 N260 F262 V266S226-L264 WeakPolarHBondContact O-CD1 3.39Å; L227-L264 HydrophobicContact CD2-CD1 4.5Å; L227-L264 HydrophobicContact CD2-CD2 3.74Å; L232-L264 HydrophobicContact CD2-CD1 4.36Å; F242-L264 HydrophobicContact CE2-CD2 3.74Å; F242-L264 HydrophobicContact CZ-CD2 4.09Å; F257-L264 HydrophobicContact CE1-CD2 4.25Å; F257-L264 HydrophobicContact CZ-CD2 4.02Å; N260-L264 PolarHBondContact ND2-O 2.94Å; N260-L264 WeakPolarHBondContact OD1-CB 3.26Å; N260-L264 PolarHBondContact OD1-N 2.86Å; F262-L264 PolarHBondContact O-N 3.38Å; L264-V266 HydrophobicContact CD1-CG1 3.82Å; L264-V266 HydrophobicContact CD2-CG1 4.49Å; L264-V266 HydrophobicContact CG-CG1 3.98Å
265R90.9Very high94.4Very high154 Ų15456.8 Ų56.858%0.58131%0.308SS*.  trans-133.2114.1178.9-69.1-71177.1-95.211.5108.6N258 G263N258-R265 PolarHBondContact O-NH1 3.4Å; N258-R265 PolarHBondContact O-NH2 2.92Å; G263-R265 PolarHBondContact O-N 3.18Å
266V93.2Very high94.5Very high25 Ų2554.5 Ų54.515%0.15229%0.293CS..  trans-136.8158.9-176.2-56.20000110F257 L264 V270 I271F257-V266 HydrophobicContact CE1-CG2 4.01Å; L264-V266 HydrophobicContact CD1-CG1 3.82Å; L264-V266 HydrophobicContact CD2-CG1 4.49Å; L264-V266 HydrophobicContact CG-CG1 3.98Å; V266-V270 HydrophobicContact CB-CB 4.37Å; V266-V270 HydrophobicContact CB-CG1 4.2Å; V266-V270 HydrophobicContact CG2-CB 4.14Å; V266-V270 HydrophobicContact CG2-CG1 3.93Å; V266-I271 HydrophobicContact CG2-CG1 3.57Å
267C94Very high94.6Very high62 Ų6251.9 Ų51.942%0.41928%0.279SS..  trans-68.4151-175.165.60000112.4S269 V270 I271C267-S269 PolarHBondContact O-N 3.1Å; C267-S269 PolarHBondContact SG-OG 3.4Å; C267-V270 WeakPolarHBondContact O-CA 3.36Å; C267-V270 WeakPolarHBondContact O-CB 3.5Å; C267-V270 PolarHBondContact O-N 3.14Å; C267-I271 PolarHBondContact O-N 3.37Å; C267-I271 VanDerWaalsContact O-N 3.12Å
268P95.5Very high94.6Very high80 Ų8052 Ų5252%0.51928%0.279SS..Hα-helixtrans-55.1-31.8-171.2-30.136.3000115.4V270 I271 K272P268-V270 VanDerWaalsContact C-N 3.31Å; P268-V270 PolarHBondContact O-N 2.93Å; P268-I271 PolarHBondContact O-N 2.97Å; P268-K272 WeakPolarHBondContact O-CG 3.44Å; P268-K272 PolarHBondContact O-N 2.71Å
269S95.2Very high94.7Very high53 Ų5353.8 Ų53.837%0.37129%0.292SS..Hα-helixtrans-65.5-32.9175.256.80000113.3R222 C267 M273R222-S269 PolarHBondContact NH2-OG 2.86Å; C267-S269 PolarHBondContact O-N 3.1Å; C267-S269 PolarHBondContact SG-OG 3.4Å; S269-M273 WeakPolarHBondContact O-CG 3.4Å
270V96.3Very high94.7Very high6 Ų650.2 Ų50.24%0.03627%0.272CS..Hα-helixtrans-79.3-36.9176.3176.10000110.3R222 L223 V266 C267 P268 K272 M273 W274R222-V270 HydrophobicContact CG-CG2 4.08Å; L223-V270 HydrophobicContact CD2-CG1 4.17Å; V266-V270 HydrophobicContact CB-CB 4.37Å; V266-V270 HydrophobicContact CB-CG1 4.2Å; V266-V270 HydrophobicContact CG2-CB 4.14Å; V266-V270 HydrophobicContact CG2-CG1 3.93Å; C267-V270 WeakPolarHBondContact O-CA 3.36Å; C267-V270 WeakPolarHBondContact O-CB 3.5Å; C267-V270 PolarHBondContact O-N 3.14Å; P268-V270 VanDerWaalsContact C-N 3.31Å; P268-V270 PolarHBondContact O-N 2.93Å; V270-K272 PolarHBondContact O-N 3.5Å; V270-M273 WeakPolarHBondContact O-CB 3.49Å; V270-M273 PolarHBondContact O-N 3.34Å; V270-M273 VanDerWaalsContact O-N 3.1Å; V270-W274 PolarHBondContact O-N 3.43Å
271I96.7Very high94.8Very high2 Ų249.8 Ų49.81%0.0127%0.269CS..Hα-helixtrans-55.3-52.2171.3-59.6-179.2000110.1C254 F257 V266 C267 P268 M273 W274 L275C254-I271 HydrophobicContact CB-CD1 4.07Å; C254-I271 HydrophobicContact CB-CG2 4.46Å; F257-I271 HydrophobicContact CB-CG2 3.53Å; F257-I271 HydrophobicContact CD1-CB 4.38Å; F257-I271 HydrophobicContact CD1-CD1 3.99Å; F257-I271 HydrophobicContact CD1-CG1 3.79Å; F257-I271 HydrophobicContact CD1-CG2 3.91Å; F257-I271 HydrophobicContact CD2-CG2 4.14Å; F257-I271 HydrophobicContact CE1-CG1 4.19Å; F257-I271 HydrophobicContact CG-CG1 4.38Å; F257-I271 HydrophobicContact CG-CG2 3.58Å; V266-I271 HydrophobicContact CG2-CG1 3.57Å; C267-I271 PolarHBondContact O-N 3.37Å; C267-I271 VanDerWaalsContact O-N 3.12Å; P268-I271 PolarHBondContact O-N 2.97Å; I271-M273 PolarHBondContact O-N 3.02Å; I271-M273 VanDerWaalsContact O-N 3.08Å; I271-W274 CarbonylContact O-C 3.54Å; I271-W274 WeakPolarHBondContact O-CA 3.49Å; I271-W274 WeakPolarHBondContact O-CB 3.43Å; I271-W274 PolarHBondContact O-N 3.28Å; I271-L275 HydrophobicContact CG2-CD1 4.47Å; I271-L275 HydrophobicContact CG2-CD2 3.91Å; I271-L275 HydrophobicContact CG2-CG 4.08Å; I271-L275 WeakPolarHBondContact O-CG 3.39Å; I271-L275 PolarHBondContact O-N 2.99Å
272K95.4Very high94.8Very high145 Ų14551.8 Ų51.863%0.6327%0.268SS*.Hα-helixtrans-53.9-31.1177.7-73.2-179.8-178.7-173.60113.8P268 V270P268-K272 WeakPolarHBondContact O-CG 3.44Å; P268-K272 PolarHBondContact O-N 2.71Å; V270-K272 PolarHBondContact O-N 3.5Å
273M96.5Very high94.7Very high39 Ų3956.3 Ų56.319%0.19230%0.295CS..Hα-helixtrans-73.8-46.6173.7-65.5169.566.300111.2L215 G219 L223 S269 V270 I271 L275 R276 V277L215-M273 HydrophobicContact CD1-CE 3.63Å; G219-M273 WeakPolarHBondContact O-CE 3.28Å; L223-M273 HydrophobicContact CD1-CE 4.24Å; L223-M273 HydrophobicContact CD2-CB 3.71Å; L223-M273 HydrophobicContact CD2-CE 4.36Å; L223-M273 HydrophobicContact CG-CB 4.41Å; L223-M273 HydrophobicContact CG-CE 3.96Å; S269-M273 WeakPolarHBondContact O-CG 3.4Å; V270-M273 WeakPolarHBondContact O-CB 3.49Å; V270-M273 PolarHBondContact O-N 3.34Å; V270-M273 VanDerWaalsContact O-N 3.1Å; I271-M273 PolarHBondContact O-N 3.02Å; I271-M273 VanDerWaalsContact O-N 3.08Å; M273-L275 VanDerWaalsContact C-N 3.3Å; M273-L275 PolarHBondContact O-N 2.92Å; M273-R276 WeakPolarHBondContact O-CB 3.47Å; M273-R276 PolarHBondContact O-N 3.27Å; M273-V277 WeakPolarHBondContact O-CG2 2.98Å; M273-V277 PolarHBondContact O-N 3.36Å
274W97.1Very high94.9Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-58.9-36.8173.8-77.7125.4000113.3L223 S226 L227 F242 L246 F257 V270 I271 R276 V277 G278L223-W274 HydrophobicContact CB-CH2 3.96Å; L223-W274 HydrophobicContact CB-CZ2 3.73Å; L223-W274 HydrophobicContact CD2-CD2 3.57Å; L223-W274 HydrophobicContact CD2-CE3 4.09Å; L223-W274 HydrophobicContact CD2-CG 3.81Å; L223-W274 HydrophobicContact CD2-CH2 4.44Å; L223-W274 HydrophobicContact CD2-CZ2 3.98Å; L223-W274 HydrophobicContact CD2-CZ3 4.49Å; L223-W274 HydrophobicContact CG-CZ2 4.42Å; L223-W274 WeakPolarHBondContact O-CZ2 3.18Å; S226-W274 PolarHBondContact OG-NE1 3.15Å; S226-W274 VanDerWaalsContact OG-NE1 3.12Å; L227-W274 HydrophobicContact CD1-CH2 4.04Å; L227-W274 HydrophobicContact CD1-CZ2 3.94Å; L227-W274 HydrophobicContact CD2-CZ2 3.8Å; L227-W274 HydrophobicContact CG-CH2 4.43Å; L227-W274 HydrophobicContact CG-CZ2 3.83Å; F242-W274 AromaticContact CE1-CD2 4Å; F242-W274 HydrophobicContact CE1-CD2 4Å; F242-W274 AromaticContact CE1-CE3 3.76Å; F242-W274 HydrophobicContact CE1-CE3 3.76Å; F242-W274 AromaticContact CE1-CH2 3.79Å; F242-W274 HydrophobicContact CE1-CH2 3.79Å; F242-W274 AromaticContact CE1-CZ2 3.99Å; F242-W274 HydrophobicContact CE1-CZ2 3.99Å; F242-W274 AromaticContact CE1-CZ3 3.67Å; F242-W274 HydrophobicContact CE1-CZ3 3.67Å; F242-W274 AromaticContact CZ-CD2 3.95Å; F242-W274 HydrophobicContact CZ-CD2 3.95Å; F242-W274 HydrophobicContact CZ-CE3 4.13Å; F242-W274 HydrophobicContact CZ-CG 4.41Å; F242-W274 HydrophobicContact CZ-CZ2 4.38Å; F242-W274 HydrophobicContact CZ-CZ3 4.45Å; L246-W274 HydrophobicContact CD2-CE3 3.77Å; L246-W274 HydrophobicContact CD2-CZ3 4.44Å; F257-W274 HydrophobicContact CD2-CB 4.36Å; F257-W274 HydrophobicContact CE2-CB 3.6Å; F257-W274 HydrophobicContact CE2-CG 4.03Å; F257-W274 HydrophobicContact CZ-CB 4.05Å; F257-W274 AromaticContact CZ-CD1 3.77Å; F257-W274 HydrophobicContact CZ-CG 4.02Å; V270-W274 PolarHBondContact O-N 3.43Å; I271-W274 CarbonylContact O-C 3.54Å; I271-W274 WeakPolarHBondContact O-CA 3.49Å; I271-W274 WeakPolarHBondContact O-CB 3.43Å; I271-W274 PolarHBondContact O-N 3.28Å; W274-R276 VanDerWaalsContact C-N 3.32Å; W274-R276 PolarHBondContact O-N 3.34Å; W274-V277 HydrophobicContact CE3-CB 4.02Å; W274-V277 HydrophobicContact CE3-CG1 4.02Å; W274-V277 HydrophobicContact CE3-CG2 4.13Å; W274-V277 HydrophobicContact CZ3-CB 4.48Å; W274-V277 HydrophobicContact CZ3-CG1 4.04Å; W274-V277 HydrophobicContact CZ3-CG2 4.46Å; W274-V277 WeakPolarHBondContact O-CB 3.28Å; W274-V277 PolarHBondContact O-N 2.92Å; W274-V277 VanDerWaalsContact O-N 3.16Å; W274-G278 PolarHBondContact O-N 3.27Å
275L95.9Very high95.1Very high24 Ų2455.4 Ų55.413%0.12628%0.28CS..Hα-helixtrans-59.6-43.7175.7-55.7-164.1000111.4P251 Q252 F257 I271 M273 G278 V279P251-L275 HydrophobicContact CB-CD2 3.92Å; P251-L275 WeakPolarHBondContact O-CD2 3.34Å; Q252-L275 WeakPolarHBondContact O-CD1 3.43Å; F257-L275 HydrophobicContact CB-CD2 4.15Å; F257-L275 HydrophobicContact CD2-CD2 3.94Å; F257-L275 HydrophobicContact CG-CD2 4.41Å; I271-L275 HydrophobicContact CG2-CD1 4.47Å; I271-L275 HydrophobicContact CG2-CD2 3.91Å; I271-L275 HydrophobicContact CG2-CG 4.08Å; I271-L275 WeakPolarHBondContact O-CG 3.39Å; I271-L275 PolarHBondContact O-N 2.99Å; M273-L275 VanDerWaalsContact C-N 3.3Å; M273-L275 PolarHBondContact O-N 2.92Å; L275-G278 PolarHBondContact O-N 2.93Å; L275-V279 WeakPolarHBondContact O-CG2 3.13Å; L275-V279 PolarHBondContact O-N 3.35Å
276R95.4Very high95.3Very high99 Ų9949.1 Ų49.137%0.37426%0.257SS..Hα-helixtrans-62.4-43.4174.3-171.9-171.2-57.41695.6111.7V212 S213 M273 W274 G278 V279 E280V212-R276 HydrophobicContact CG1-CG 4.3Å; S213-R276 PolarHBondContact O-NH1 2.91Å; M273-R276 WeakPolarHBondContact O-CB 3.47Å; M273-R276 PolarHBondContact O-N 3.27Å; W274-R276 VanDerWaalsContact C-N 3.32Å; W274-R276 PolarHBondContact O-N 3.34Å; R276-G278 VanDerWaalsContact C-N 3.31Å; R276-G278 PolarHBondContact O-N 3.25Å; R276-V279 PolarHBondContact O-N 2.92Å; R276-E280 WeakPolarHBondContact CD-OE1 3.38Å; R276-E280 HydrophobicContact CG-CG 4.27Å; R276-E280 WeakPolarHBondContact CG-OE1 3.5Å; R276-E280 PolarHBondContact O-N 3.45Å
277V96.9Very high95.5Very high1 Ų152.2 Ų52.21%0.00627%0.27CS..Hα-helixtrans-57.8-44.4176.91760000110.8L202 V212 L223 L246 M273 W274 V279 E280 L281L202-V277 HydrophobicContact CD2-CG1 3.8Å; L202-V277 HydrophobicContact CD2-CG2 3.92Å; V212-V277 HydrophobicContact CG1-CG2 4.23Å; V212-V277 HydrophobicContact CG2-CG1 4.43Å; V212-V277 HydrophobicContact CG2-CG2 4.24Å; L223-V277 HydrophobicContact CD1-CG2 3.89Å; L246-V277 HydrophobicContact CD2-CB 4.31Å; L246-V277 HydrophobicContact CD2-CG1 4.1Å; M273-V277 WeakPolarHBondContact O-CG2 2.98Å; M273-V277 PolarHBondContact O-N 3.36Å; W274-V277 HydrophobicContact CE3-CB 4.02Å; W274-V277 HydrophobicContact CE3-CG1 4.02Å; W274-V277 HydrophobicContact CE3-CG2 4.13Å; W274-V277 HydrophobicContact CZ3-CB 4.48Å; W274-V277 HydrophobicContact CZ3-CG1 4.04Å; W274-V277 HydrophobicContact CZ3-CG2 4.46Å; W274-V277 WeakPolarHBondContact O-CB 3.28Å; W274-V277 PolarHBondContact O-N 2.92Å; W274-V277 VanDerWaalsContact O-N 3.16Å; V277-V279 PolarHBondContact O-N 2.8Å; V277-E280 PolarHBondContact O-N 3.06Å; V277-L281 HydrophobicContact CG1-CD1 3.5Å; V277-L281 VanDerWaalsContact CG1-CD1 3.5Å; V277-L281 HydrophobicContact CG1-CG 3.96Å; V277-L281 VanDerWaalsContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.5Å; V277-L281 PolarHBondContact O-N 3.13Å
278G96Very high95.6Very high1 Ų154.4 Ų54.41%0.0127%0.273CS..Hα-helixtrans-61.4-39.7177.600000114.1W274 L275 R276W274-G278 PolarHBondContact O-N 3.27Å; L275-G278 PolarHBondContact O-N 2.93Å; R276-G278 VanDerWaalsContact C-N 3.31Å; R276-G278 PolarHBondContact O-N 3.25Å
279V95Very high95.7Very high87 Ų8750.6 Ų50.653%0.52725%0.249SC..Hα-helixtrans-68.2-47.8175.51750000111.4L275 R276 V277 K282L275-V279 WeakPolarHBondContact O-CG2 3.13Å; L275-V279 PolarHBondContact O-N 3.35Å; R276-V279 PolarHBondContact O-N 2.92Å; V277-V279 PolarHBondContact O-N 2.8Å; V279-K282 WeakPolarHBondContact O-CB 3.42Å
280E95.2Very high95.8Very high68 Ų6848 Ų4832%0.31823%0.231SC..Hα-helixtrans-79.5-29.1-172.1-67.5-168.9-140.600113.7V212 S213 R276 V277 K282V212-E280 HydrophobicContact CG1-CB 4.45Å; S213-E280 WeakPolarHBondContact CA-OE2 3.13Å; S213-E280 WeakPolarHBondContact CB-OE1 3.24Å; S213-E280 WeakPolarHBondContact CB-OE2 3.35Å; S213-E280 PolarHBondContact N-OE2 3.39Å; R276-E280 WeakPolarHBondContact CD-OE1 3.38Å; R276-E280 HydrophobicContact CG-CG 4.27Å; R276-E280 WeakPolarHBondContact CG-OE1 3.5Å; R276-E280 PolarHBondContact O-N 3.45Å; V277-E280 PolarHBondContact O-N 3.06Å; E280-K282 VanDerWaalsContact C-N 3.32Å
281L95.8Very high95.8Very high0 Ų049.6 Ų49.60%025%0.245CC..THydrogen-bonded Turntrans-86.65.9175.6-61.3-171.6000113.9I201 V212 L243 T247 V277 N283 C284I201-L281 HydrophobicContact CG2-CD1 3.73Å; I201-L281 HydrophobicContact CG2-CD2 4.09Å; V212-L281 HydrophobicContact CG2-CD1 4.48Å; V212-L281 HydrophobicContact CG2-CD2 3.87Å; V212-L281 HydrophobicContact CG2-CG 4.02Å; L243-L281 HydrophobicContact CD2-CD1 4.17Å; T247-L281 HydrophobicContact CG2-CB 4.06Å; V277-L281 HydrophobicContact CG1-CD1 3.5Å; V277-L281 VanDerWaalsContact CG1-CD1 3.5Å; V277-L281 HydrophobicContact CG1-CG 3.96Å; V277-L281 VanDerWaalsContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CB 3.29Å; V277-L281 WeakPolarHBondContact O-CG 3.5Å; V277-L281 PolarHBondContact O-N 3.13Å; L281-N283 PolarHBondContact O-N 3.25Å; L281-N283 VanDerWaalsContact O-N 3.1Å; L281-C284 HydrophobicContact CB-CB 3.94Å; L281-C284 HydrophobicContact CD2-CB 3.93Å; L281-C284 HydrophobicContact CG-CB 4.48Å; L281-C284 WeakPolarHBondContact O-CB 3.38Å; L281-C284 PolarHBondContact O-N 3Å
282K93.7Very high95.8Very high135 Ų13551 Ų5159%0.58725%0.251SS*.THydrogen-bonded Turntrans-57-29.1-177.6-171.6171.5-176.3174.40114.6V279 E280V279-K282 WeakPolarHBondContact O-CB 3.42Å; E280-K282 VanDerWaalsContact C-N 3.32Å
283N92.6Very high95.9Very high142 Ų14244 Ų4476%0.75922%0.221SC*.THydrogen-bonded Turntrans-10914.9176.2-59.8-26.9000112.5W208 L281W208-N283 WeakPolarHBondContact CH2-O 3.07Å; L281-N283 PolarHBondContact O-N 3.25Å; L281-N283 VanDerWaalsContact O-N 3.1Å
284C94.6Very high95.9Very high9 Ų943.4 Ų43.46%0.06122%0.218CC..  trans-84.2125.3179.5-176.30000109.9W208 L281 Y286W208-C284 HydrophobicContact CD2-CB 4.14Å; W208-C284 VanDerWaalsContact CD2-SG 3.56Å; W208-C284 HydrophobicContact CE3-CB 4.39Å; W208-C284 HydrophobicContact CH2-CB 3.94Å; W208-C284 HydrophobicContact CZ2-CB 3.64Å; W208-C284 HydrophobicContact CZ3-CB 4.3Å; L281-C284 HydrophobicContact CB-CB 3.94Å; L281-C284 HydrophobicContact CD2-CB 3.93Å; L281-C284 HydrophobicContact CG-CB 4.48Å; L281-C284 WeakPolarHBondContact O-CB 3.38Å; L281-C284 PolarHBondContact O-N 3Å; C284-Y286 HydrophobicContact CB-CD1 4.21Å; C284-Y286 WeakPolarHBondContact O-CD1 3.38Å; C284-Y286 WeakPolarHBondContact O-CE1 3.47Å; C284-Y286 PolarHBondContact O-N 3.47Å
285P95.5Very high95.8Very high32 Ų3245.6 Ų45.621%0.20823%0.232CC..  trans-77.560.7174.434-36.2000110.4L77 E287 E288 I289L77-P285 HydrophobicContact CD1-CB 4.06Å; L77-P285 HydrophobicContact CD1-CG 3.64Å; P285-E287 VanDerWaalsContact C-N 3.29Å; P285-E287 PolarHBondContact O-N 3.05Å; P285-E288 WeakPolarHBondContact CA-OE2 3.47Å; P285-E288 HydrophobicContact CB-CB 4.33Å; P285-E288 WeakPolarHBondContact CB-OE2 3.22Å; P285-E288 PolarHBondContact O-N 2.99Å; P285-I289 HydrophobicContact CG-CD1 4.29Å; P285-I289 WeakPolarHBondContact O-CD1 3.48Å; P285-I289 WeakPolarHBondContact O-CG1 3.48Å; P285-I289 PolarHBondContact O-N 3.37Å
286Y95.7Very high95.8Very high21 Ų2146.4 Ų46.48%0.08224%0.239CC..Hα-helixtrans-67-29.6-173.549.2-99.3000112.5L243 S244 T247 C284 I289 F290L243-Y286 HydrophobicContact CB-CD1 4.25Å; L243-Y286 HydrophobicContact CB-CD2 3.88Å; L243-Y286 HydrophobicContact CB-CE1 4.24Å; L243-Y286 HydrophobicContact CB-CE2 3.87Å; L243-Y286 HydrophobicContact CB-CG 4.12Å; L243-Y286 HydrophobicContact CD1-CD1 4.35Å; L243-Y286 HydrophobicContact CD1-CD2 4.01Å; L243-Y286 HydrophobicContact CD1-CG 3.79Å; S244-Y286 VanDerWaalsContact CA-OH 3.27Å; S244-Y286 WeakPolarHBondContact CA-OH 3.5Å; T247-Y286 HydrophobicContact CG2-CE1 4.05Å; T247-Y286 PolarHBondContact OG1-OH 2.93Å; C284-Y286 HydrophobicContact CB-CD1 4.21Å; C284-Y286 WeakPolarHBondContact O-CD1 3.38Å; C284-Y286 WeakPolarHBondContact O-CE1 3.47Å; C284-Y286 PolarHBondContact O-N 3.47Å; Y286-I289 PolarHBondContact O-N 2.96Å; Y286-F290 WeakPolarHBondContact O-CB 3.32Å; Y286-F290 WeakPolarHBondContact O-CD2 3.43Å; Y286-F290 PolarHBondContact O-N 3.28Å
287E96.7Very high95.8Very high91 Ų9143.2 Ų43.243%0.42523%0.228SC..Hα-helixtrans-65.2-44.5176-54.5-166.3175.900110.4I240 P285 F290 A291I240-E287 HydrophobicContact CG2-CG 3.86Å; P285-E287 VanDerWaalsContact C-N 3.29Å; P285-E287 PolarHBondContact O-N 3.05Å; E287-F290 PolarHBondContact O-N 3.39Å; E287-A291 WeakPolarHBondContact O-CB 3.45Å; E287-A291 PolarHBondContact O-N 3.29Å
288E96.3Very high95.7Very high107 Ų10749.8 Ų49.850%0.526%0.256SS..Hα-helixtrans-69.6-32.3175.8-57.194.3141.900112.6L77 P285 E292L77-E288 HydrophobicContact CD1-CB 4.11Å; L77-E288 HydrophobicContact CD2-CB 4.32Å; P285-E288 WeakPolarHBondContact CA-OE2 3.47Å; P285-E288 HydrophobicContact CB-CB 4.33Å; P285-E288 WeakPolarHBondContact CB-OE2 3.22Å; P285-E288 PolarHBondContact O-N 2.99Å; E288-E292 VanDerWaalsContact O-CB 3.24Å; E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.94Å
289I96.8Very high95.7Very high0 Ų055.1 Ų55.10%029%0.285CS..Hα-helixtrans-68.9-43.8173.5-65.3161.6000111L77 V197 I201 W208 P285 Y286 E292 F293L77-I289 HydrophobicContact CD2-CB 4.49Å; L77-I289 HydrophobicContact CD2-CG1 3.8Å; L77-I289 HydrophobicContact CG-CG1 4.49Å; V197-I289 HydrophobicContact CG1-CG2 4.33Å; I201-I289 HydrophobicContact CD1-CB 4.39Å; I201-I289 HydrophobicContact CD1-CG2 4.04Å; I201-I289 HydrophobicContact CG1-CB 4.38Å; I201-I289 HydrophobicContact CG1-CD1 4.28Å; I201-I289 HydrophobicContact CG1-CG2 3.77Å; W208-I289 HydrophobicContact CB-CD1 3.74Å; W208-I289 HydrophobicContact CG-CD1 4.42Å; P285-I289 HydrophobicContact CG-CD1 4.29Å; P285-I289 WeakPolarHBondContact O-CD1 3.48Å; P285-I289 WeakPolarHBondContact O-CG1 3.48Å; P285-I289 PolarHBondContact O-N 3.37Å; Y286-I289 PolarHBondContact O-N 2.96Å; I289-E292 PolarHBondContact O-N 3.03Å; I289-F293 HydrophobicContact CG2-CD2 3.9Å; I289-F293 HydrophobicContact CG2-CE2 4Å; I289-F293 WeakPolarHBondContact O-CD2 3.38Å; I289-F293 PolarHBondContact O-N 2.91Å; I289-F293 VanDerWaalsContact O-N 3.12Å
290F97.4Very high95.7Very high0 Ų052.9 Ų52.90%027%0.267CS..Hα-helixtrans-61.5-49.1173.9-84.9-64.7000110.5V197 L198 I201 E236 L239 I240 L243 Y286 E287 E292 F293 L294V197-F290 HydrophobicContact CB-CD1 4.03Å; V197-F290 HydrophobicContact CB-CE1 3.83Å; V197-F290 HydrophobicContact CG1-CD1 3.44Å; V197-F290 VanDerWaalsContact CG1-CD1 3.44Å; V197-F290 HydrophobicContact CG1-CE1 3.55Å; V197-F290 HydrophobicContact CG1-CG 4.19Å; V197-F290 HydrophobicContact CG1-CZ 4.36Å; L198-F290 HydrophobicContact CB-CZ 4.32Å; I201-F290 HydrophobicContact CD1-CD2 4Å; I201-F290 HydrophobicContact CD1-CE2 3.6Å; I201-F290 HydrophobicContact CD1-CZ 3.91Å; E236-F290 HydrophobicContact CG-CB 4.42Å; L239-F290 HydrophobicContact CB-CE2 4.21Å; L239-F290 HydrophobicContact CB-CZ 3.88Å; L239-F290 HydrophobicContact CD1-CE1 4.09Å; L239-F290 HydrophobicContact CD1-CZ 3.89Å; I240-F290 HydrophobicContact CD1-CB 4.1Å; I240-F290 HydrophobicContact CD1-CD2 4.41Å; I240-F290 HydrophobicContact CD1-CG 4.48Å; I240-F290 HydrophobicContact CG1-CB 4.36Å; I240-F290 HydrophobicContact CG1-CD2 3.74Å; I240-F290 HydrophobicContact CG1-CE2 4.4Å; I240-F290 HydrophobicContact CG1-CG 4.26Å; L243-F290 HydrophobicContact CD1-CE2 3.95Å; Y286-F290 WeakPolarHBondContact O-CB 3.32Å; Y286-F290 WeakPolarHBondContact O-CD2 3.43Å; Y286-F290 PolarHBondContact O-N 3.28Å; E287-F290 PolarHBondContact O-N 3.39Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 2.84Å; F290-F293 PolarHBondContact O-N 3.36Å; F290-L294 HydrophobicContact CB-CD1 4.49Å; F290-L294 HydrophobicContact CD1-CD1 3.69Å; F290-L294 HydrophobicContact CD1-CG 4.4Å; F290-L294 HydrophobicContact CE1-CD1 4.47Å; F290-L294 VanDerWaalsContact O-CB 3.24Å; F290-L294 WeakPolarHBondContact O-CB 3.36Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 2.97Å
291A96.4Very high95.7Very high39 Ų3956.6 Ų56.632%0.32229%0.289SS..Hα-helixtrans-56.2-44.8174.700000112.1E287 F293 T295 R300E287-A291 WeakPolarHBondContact O-CB 3.45Å; E287-A291 PolarHBondContact O-N 3.29Å; A291-F293 VanDerWaalsContact C-N 3.31Å; A291-F293 PolarHBondContact O-N 3.24Å; A291-T295 WeakPolarHBondContact O-CB 3.43Å; A291-T295 PolarHBondContact O-N 3.14Å; A291-T295 PolarHBondContact O-OG1 3.12Å; A291-R300 PolarHBondContact O-NH2 3.27Å
292E96.2Very high95.6Very high30 Ų3058.3 Ų58.314%0.1430%0.295CS..Hα-helixtrans-69.7-20.5-178.4-177.748-148.400114P75 L77 Y159 Y207 E288 I289 F290 R300P75-E292 HydrophobicContact CB-CG 4.48Å; P75-E292 HydrophobicContact CG-CG 4.22Å; P75-E292 WeakPolarHBondContact CG-OE1 3.14Å; L77-E292 HydrophobicContact CD2-CB 4.12Å; Y159-E292 WeakPolarHBondContact CE1-O 3.48Å; Y159-E292 PolarHBondContact OH-OE1 3.13Å; Y207-E292 HydrophobicContact CD2-CG 4.32Å; Y207-E292 HydrophobicContact CE1-CG 4.34Å; Y207-E292 HydrophobicContact CE2-CG 3.73Å; E288-E292 VanDerWaalsContact O-CB 3.24Å; E288-E292 WeakPolarHBondContact O-CB 3.45Å; E288-E292 PolarHBondContact O-N 2.94Å; I289-E292 PolarHBondContact O-N 3.03Å; F290-E292 VanDerWaalsContact C-N 3.32Å; F290-E292 PolarHBondContact O-N 2.84Å; E292-R300 VanDerWaalsContact CD-NH1 3.29Å; E292-R300 PolarHBondContact O-NH2 3.41Å; E292-R300 IonicContact OE1-NH1 3.62Å; E292-R300 PolarHBondContact OE1-NH1 3.08Å; E292-R300 IonicContact OE2-CZ 3.71Å; E292-R300 IonicContact OE2-NH1 3.17Å; E292-R300 PolarHBondContact OE2-NH1 2.92Å; E292-R300 IonicContact OE2-NH2 3.62Å
293F97.3Very high95.7Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-99.1-31.8172.5-77.6-58.6000114.2D155 L158 Y159 K193 V197 Y207 I289 F290 A291D155-F293 HydrophobicContact CB-CE1 3.99Å; D155-F293 HydrophobicContact CB-CZ 4.32Å; L158-F293 HydrophobicContact CB-CB 4.42Å; L158-F293 HydrophobicContact CB-CD1 3.47Å; L158-F293 VanDerWaalsContact CB-CD1 3.47Å; L158-F293 HydrophobicContact CB-CD2 4.33Å; L158-F293 HydrophobicContact CB-CE1 3.61Å; L158-F293 HydrophobicContact CB-CE2 4.43Å; L158-F293 HydrophobicContact CB-CG 3.85Å; L158-F293 HydrophobicContact CB-CZ 4.09Å; L158-F293 HydrophobicContact CD2-CD1 4.42Å; L158-F293 HydrophobicContact CD2-CD2 4.06Å; L158-F293 HydrophobicContact CD2-CE1 4.05Å; L158-F293 HydrophobicContact CD2-CE2 3.63Å; L158-F293 HydrophobicContact CD2-CG 4.41Å; L158-F293 HydrophobicContact CD2-CZ 3.63Å; Y159-F293 HydrophobicContact CD1-CD1 4.24Å; Y159-F293 AromaticContact CD2-CD1 3.87Å; Y159-F293 HydrophobicContact CD2-CD1 3.87Å; Y159-F293 AromaticContact CD2-CE1 3.92Å; Y159-F293 HydrophobicContact CD2-CE1 3.92Å; Y159-F293 HydrophobicContact CE1-CD1 4.17Å; Y159-F293 AromaticContact CE2-CD1 3.78Å; Y159-F293 HydrophobicContact CE2-CD1 3.78Å; Y159-F293 AromaticContact CE2-CE1 3.63Å; Y159-F293 HydrophobicContact CE2-CE1 3.63Å; Y159-F293 HydrophobicContact CG-CD1 4.09Å; Y159-F293 AromaticContact CZ-CD1 3.93Å; K193-F293 WeakPolarHBondContact CE-O 3.24Å; K193-F293 PolarHBondContact NZ-O 3.44Å; V197-F293 HydrophobicContact CG1-CB 4.29Å; V197-F293 HydrophobicContact CG1-CD2 3.86Å; V197-F293 HydrophobicContact CG1-CG 4.5Å; V197-F293 HydrophobicContact CG2-CB 3.53Å; V197-F293 HydrophobicContact CG2-CD2 4.1Å; V197-F293 HydrophobicContact CG2-CG 4.01Å; Y207-F293 HydrophobicContact CD2-CD2 4.24Å; Y207-F293 HydrophobicContact CD2-CE1 4.29Å; Y207-F293 AromaticContact CD2-CE2 3.51Å; Y207-F293 HydrophobicContact CD2-CE2 3.51Å; Y207-F293 AromaticContact CD2-CZ 3.55Å; Y207-F293 HydrophobicContact CD2-CZ 3.55Å; Y207-F293 HydrophobicContact CE2-CD1 4.35Å; Y207-F293 HydrophobicContact CE2-CD2 4.4Å; Y207-F293 AromaticContact CE2-CE1 3.73Å; Y207-F293 HydrophobicContact CE2-CE1 3.73Å; Y207-F293 AromaticContact CE2-CE2 3.81Å; Y207-F293 HydrophobicContact CE2-CE2 3.81Å; Y207-F293 AromaticContact CE2-CZ 3.44Å; Y207-F293 HydrophobicContact CE2-CZ 3.44Å; Y207-F293 VanDerWaalsContact CE2-CZ 3.44Å; I289-F293 HydrophobicContact CG2-CD2 3.9Å; I289-F293 HydrophobicContact CG2-CE2 4Å; I289-F293 WeakPolarHBondContact O-CD2 3.38Å; I289-F293 PolarHBondContact O-N 2.91Å; I289-F293 VanDerWaalsContact O-N 3.12Å; F290-F293 PolarHBondContact O-N 3.36Å; A291-F293 VanDerWaalsContact C-N 3.31Å; A291-F293 PolarHBondContact O-N 3.24Å
294L96.9Very high95.8Very high25 Ų2552.7 Ų52.713%0.13128%0.276CS..Hα-helixtrans-94.5-31.8-170.1-58.6-172.8000113.5K193 V197 E236 F290 S296K193-L294 HydrophobicContact CD-CD2 3.73Å; K193-L294 HydrophobicContact CG-CD2 3.85Å; V197-L294 HydrophobicContact CG2-CD2 3.87Å; V197-L294 HydrophobicContact CG2-CG 4.39Å; E236-L294 HydrophobicContact CB-CD1 3.72Å; E236-L294 HydrophobicContact CG-CD1 3.6Å; E236-L294 WeakPolarHBondContact OE2-CD1 3.27Å; F290-L294 HydrophobicContact CB-CD1 4.49Å; F290-L294 HydrophobicContact CD1-CD1 3.69Å; F290-L294 HydrophobicContact CD1-CG 4.4Å; F290-L294 HydrophobicContact CE1-CD1 4.47Å; F290-L294 VanDerWaalsContact O-CB 3.24Å; F290-L294 WeakPolarHBondContact O-CB 3.36Å; F290-L294 WeakPolarHBondContact O-CG 3.45Å; F290-L294 PolarHBondContact O-N 2.97Å; L294-S296 PolarHBondContact O-N 3.19Å
295T96.3Very high95.7Very high47 Ų4753.6 Ų53.629%0.28828%0.282SS..SBendtrans-57.6127.7179.7-55.40000111.8A291 D299 R300A291-T295 WeakPolarHBondContact O-CB 3.43Å; A291-T295 PolarHBondContact O-N 3.14Å; A291-T295 PolarHBondContact O-OG1 3.12Å; T295-D299 HydrophobicContact CG2-CB 3.67Å; T295-R300 HydrophobicContact CG2-CG 3.94Å; T295-R300 PolarHBondContact O-NE 3.05Å; T295-R300 PolarHBondContact O-NH2 3.35Å
296S95.9Very high95.6Very high40 Ų4059.3 Ų59.328%0.2830%0.303SS..  trans-70.5162-176.490.50000112.7L294 K298 D299 R300L294-S296 PolarHBondContact O-N 3.19Å; S296-K298 PolarHBondContact O-N 2.71Å; S296-K298 PolarHBondContact OG-N 2.8Å; S296-D299 VanDerWaalsContact CB-OD2 3.26Å; S296-D299 WeakPolarHBondContact CB-OD2 3.21Å; S296-D299 PolarHBondContact O-N 2.68Å; S296-D299 PolarHBondContact OG-N 3.3Å; S296-D299 PolarHBondContact OG-OD2 3.02Å; S296-R300 VanDerWaalsContact O-CG 3.3Å; S296-R300 WeakPolarHBondContact O-CG 3.44Å; S296-R300 PolarHBondContact O-N 3.49Å; S296-R300 VanDerWaalsContact O-N 3.12Å
297F95.1Very high95.3Very high32 Ų3262 Ų6214%0.1432%0.317CS..THydrogen-bonded Turntrans-58.5-30.2175.380.4-89.4000113F139 N143 N301 W302 L304F139-F297 HydrophobicContact CB-CB 4.28Å; F139-F297 HydrophobicContact CD1-CB 4.15Å; F139-F297 HydrophobicContact CD2-CB 3.72Å; F139-F297 HydrophobicContact CE1-CB 4.43Å; F139-F297 HydrophobicContact CE2-CB 4.02Å; F139-F297 HydrophobicContact CG-CB 3.8Å; F139-F297 HydrophobicContact CZ-CB 4.38Å; N143-F297 WeakPolarHBondContact ND2-CE1 3.49Å; N143-F297 VanDerWaalsContact OD1-CE1 3.27Å; N143-F297 WeakPolarHBondContact OD1-CE1 3.37Å; F297-N301 PolarHBondContact O-N 2.99Å; F297-W302 HydrophobicContact CB-CB 4.3Å; F297-W302 WeakPolarHBondContact O-CB 3.31Å; F297-W302 PolarHBondContact O-N 3.34Å; F297-L304 HydrophobicContact CB-CD2 4.5Å; F297-L304 HydrophobicContact CD1-CD1 3.95Å; F297-L304 HydrophobicContact CD2-CD1 3.83Å; F297-L304 HydrophobicContact CD2-CD2 4.27Å; F297-L304 HydrophobicContact CD2-CG 3.62Å; F297-L304 HydrophobicContact CE1-CD1 3.78Å; F297-L304 HydrophobicContact CE2-CD1 3.65Å; F297-L304 HydrophobicContact CE2-CG 3.71Å; F297-L304 HydrophobicContact CG-CD1 3.96Å; F297-L304 HydrophobicContact CG-CD2 4.33Å; F297-L304 HydrophobicContact CG-CG 4.04Å; F297-L304 HydrophobicContact CZ-CD1 3.6Å; F297-L304 HydrophobicContact CZ-CG 4.22Å
298K95Very high94.9Very high139 Ų13963.6 Ų63.660%0.60432%0.324SS*.THydrogen-bonded Turntrans-70.1-47.2-179.8-63.7-178.3-177.6174.60110.8S296 R300 N301S296-K298 PolarHBondContact O-N 2.71Å; S296-K298 PolarHBondContact OG-N 2.8Å; K298-R300 PolarHBondContact O-N 3.33Å; K298-N301 WeakPolarHBondContact O-CA 3.29Å; K298-N301 PolarHBondContact O-N 3.44Å
299D95.9Very high94.6Very high113 Ų11361.6 Ų61.660%0.60432%0.322SS*.THydrogen-bonded Turntrans-70.1-25.9-177.9-46.1-52.7000111.2T295 S296 N301T295-D299 HydrophobicContact CG2-CB 3.67Å; S296-D299 VanDerWaalsContact CB-OD2 3.26Å; S296-D299 WeakPolarHBondContact CB-OD2 3.21Å; S296-D299 PolarHBondContact O-N 2.68Å; S296-D299 PolarHBondContact OG-N 3.3Å; S296-D299 PolarHBondContact OG-OD2 3.02Å; D299-N301 PolarHBondContact O-N 3.21Å
300R93.9Very high94.2Very high40 Ų4061.8 Ų61.815%0.15132%0.323CS..THydrogen-bonded Turntrans-71.9-6.8167.6-67.6170.7-173-86.1-11.1114.6A291 E292 T295 S296 K298 W302A291-R300 PolarHBondContact O-NH2 3.27Å; E292-R300 VanDerWaalsContact CD-NH1 3.29Å; E292-R300 PolarHBondContact O-NH2 3.41Å; E292-R300 IonicContact OE1-NH1 3.62Å; E292-R300 PolarHBondContact OE1-NH1 3.08Å; E292-R300 IonicContact OE2-CZ 3.71Å; E292-R300 IonicContact OE2-NH1 3.17Å; E292-R300 PolarHBondContact OE2-NH1 2.92Å; E292-R300 IonicContact OE2-NH2 3.62Å; T295-R300 HydrophobicContact CG2-CG 3.94Å; T295-R300 PolarHBondContact O-NE 3.05Å; T295-R300 PolarHBondContact O-NH2 3.35Å; S296-R300 VanDerWaalsContact O-CG 3.3Å; S296-R300 WeakPolarHBondContact O-CG 3.44Å; S296-R300 PolarHBondContact O-N 3.49Å; S296-R300 VanDerWaalsContact O-N 3.12Å; K298-R300 PolarHBondContact O-N 3.33Å; R300-W302 HydrophobicContact CB-CD2 4.36Å; R300-W302 HydrophobicContact CB-CG 3.9Å; R300-W302 VanDerWaalsContact O-CD1 3.31Å; R300-W302 PolarHBondContact O-N 2.91Å
301N95.1Very high93.6Very high146 Ų14665 Ų6578%0.78135%0.345SS*.THydrogen-bonded Turntrans55.832.9-167.9-58-75.2000113.6F297 K298 D299F297-N301 PolarHBondContact O-N 2.99Å; K298-N301 WeakPolarHBondContact O-CA 3.29Å; K298-N301 PolarHBondContact O-N 3.44Å; D299-N301 PolarHBondContact O-N 3.21Å
302W95Very high93Very high37 Ų3765.8 Ų65.814%0.1434%0.342CS..PPolyproline II helixtrans-83.9139.8175.1-71.114.5000110.6P130 A135 M136 F139 F297 R300P130-W302 HydrophobicContact CB-CD2 4.26Å; P130-W302 HydrophobicContact CB-CZ2 4.1Å; P130-W302 HydrophobicContact CG-CD2 3.78Å; P130-W302 HydrophobicContact CG-CE3 4.3Å; P130-W302 HydrophobicContact CG-CG 3.89Å; P130-W302 HydrophobicContact CG-CZ2 4.42Å; A135-W302 HydrophobicContact CB-CH2 3.96Å; A135-W302 HydrophobicContact CB-CZ3 4.03Å; M136-W302 HydrophobicContact CB-CZ3 4.4Å; M136-W302 HydrophobicContact CE-CE3 3.88Å; M136-W302 HydrophobicContact CE-CZ3 4.29Å; F139-W302 AromaticContact CD2-CE3 3.77Å; F139-W302 HydrophobicContact CD2-CE3 3.77Å; F139-W302 AromaticContact CD2-CZ3 3.83Å; F139-W302 HydrophobicContact CD2-CZ3 3.83Å; F139-W302 AromaticContact CE2-CE3 3.72Å; F139-W302 HydrophobicContact CE2-CE3 3.72Å; F139-W302 HydrophobicContact CE2-CH2 4.41Å; F139-W302 AromaticContact CE2-CZ3 3.64Å; F139-W302 HydrophobicContact CE2-CZ3 3.64Å; F297-W302 HydrophobicContact CB-CB 4.3Å; F297-W302 WeakPolarHBondContact O-CB 3.31Å; F297-W302 PolarHBondContact O-N 3.34Å; R300-W302 HydrophobicContact CB-CD2 4.36Å; R300-W302 HydrophobicContact CB-CG 3.9Å; R300-W302 VanDerWaalsContact O-CD1 3.31Å; R300-W302 PolarHBondContact O-N 2.91Å
303V94.2Very high92.9Very high130 Ų13065.5 Ų65.579%0.78834%0.34SS*.PPolyproline II helixtrans-98.8116.5174.7-178.60000108.6
304L94.9Very high92.7Very high28 Ų2868.4 Ų68.415%0.14735%0.353CS..PPolyproline II helixtrans-75.4145.7171.5-63.2-178.6000110.6M136 F139 N143 L145 F297M136-L304 HydrophobicContact CE-CD2 4.44Å; M136-L304 HydrophobicContact SD-CD2 3.77Å; F139-L304 HydrophobicContact CB-CD2 3.96Å; N143-L304 HydrophobicContact CB-CD1 4.11Å; L145-L304 HydrophobicContact CD1-CB 4.09Å; L145-L304 HydrophobicContact CD1-CD1 3.98Å; F297-L304 HydrophobicContact CB-CD2 4.5Å; F297-L304 HydrophobicContact CD1-CD1 3.95Å; F297-L304 HydrophobicContact CD2-CD1 3.83Å; F297-L304 HydrophobicContact CD2-CD2 4.27Å; F297-L304 HydrophobicContact CD2-CG 3.62Å; F297-L304 HydrophobicContact CE1-CD1 3.78Å; F297-L304 HydrophobicContact CE2-CD1 3.65Å; F297-L304 HydrophobicContact CE2-CG 3.71Å; F297-L304 HydrophobicContact CG-CD1 3.96Å; F297-L304 HydrophobicContact CG-CD2 4.33Å; F297-L304 HydrophobicContact CG-CG 4.04Å; F297-L304 HydrophobicContact CZ-CD1 3.6Å; F297-L304 HydrophobicContact CZ-CG 4.22Å
305P93.5Very high92.6Very high28 Ų2867.6 Ų67.618%0.18235%0.348CS..PPolyproline II helixtrans-58.3152.5168.127.6-37000111.3V127 L140 I310V127-P305 HydrophobicContact CG1-CB 3.94Å; V127-P305 HydrophobicContact CG1-CG 3.87Å; L140-P305 HydrophobicContact CD2-CG 3.52Å; P305-I310 HydrophobicContact CB-CD1 4Å; P305-I310 HydrophobicContact CB-CG1 3.84Å; P305-I310 HydrophobicContact CG-CD1 3.63Å; P305-I310 HydrophobicContact CG-CG1 3.79Å
306K92.5Very high92.6Very high152 Ų15265.3 Ų65.366%0.66133%0.334SS*.PPolyproline II helixtrans-77.4152175.3-55-175.2175.7-175.70111.2E308 S309 I310K306-E308 WeakPolarHBondContact CB-OE2 3.49Å; K306-E308 PolarHBondContact O-N 3.12Å; K306-S309 WeakPolarHBondContact O-CB 3.1Å; K306-S309 PolarHBondContact O-N 3.19Å; K306-I310 WeakPolarHBondContact O-CG1 3.27Å; K306-I310 PolarHBondContact O-N 3.1Å
307Q91Very high92.4Very high79 Ų7963.7 Ų63.737%0.36932%0.322SS..Hα-helixtrans-57.4-35.9-177.5-172.559.81100112.9L145 S309 I310 S311L145-Q307 VanDerWaalsContact CA-OE1 3.29Å; L145-Q307 HydrophobicContact CD2-CB 4.35Å; L145-Q307 PolarHBondContact O-OE1 3.21Å; Q307-S309 VanDerWaalsContact C-N 3.32Å; Q307-S309 PolarHBondContact O-N 3.21Å; Q307-I310 PolarHBondContact O-N 3.25Å; Q307-S311 WeakPolarHBondContact O-CB 3.43Å; Q307-S311 PolarHBondContact O-N 3.35Å; Q307-S311 PolarHBondContact O-OG 2.65Å
308E87.9Confident92.3Very high124 Ų12462.2 Ų62.258%0.57932%0.315SS*.Hα-helixtrans-64.3-38.8177.8-50.778.5-169.800111K306 I310 Q312K306-E308 WeakPolarHBondContact CB-OE2 3.49Å; K306-E308 PolarHBondContact O-N 3.12Å; E308-I310 VanDerWaalsContact C-N 3.3Å; E308-I310 PolarHBondContact O-N 3.25Å; E308-Q312 WeakPolarHBondContact O-CB 3.41Å; E308-Q312 PolarHBondContact O-N 3.22Å; E308-Q312 VanDerWaalsContact O-N 3.15Å
309S88.5Confident92.1Very high64 Ų6459.3 Ų59.345%0.44830%0.301SS..Hα-helixtrans-71-24.2179.4-52.80000113.5P125 K306 Q307P125-S309 WeakPolarHBondContact CB-O 3.35Å; K306-S309 WeakPolarHBondContact O-CB 3.1Å; K306-S309 PolarHBondContact O-N 3.19Å; Q307-S309 VanDerWaalsContact C-N 3.32Å; Q307-S309 PolarHBondContact O-N 3.21Å
310I88.5Confident91.9Very high5 Ų558 Ų583%0.02629%0.29CS..Hα-helixtrans-88.5-41.8-178.5-58162.3000110.8I67 L140 L145 V146 P305 K306 Q307 E308 Q312I67-I310 HydrophobicContact CB-CG2 4.47Å; I67-I310 HydrophobicContact CD1-CB 4.15Å; I67-I310 HydrophobicContact CD1-CG1 3.85Å; I67-I310 HydrophobicContact CD1-CG2 3.88Å; I67-I310 HydrophobicContact CG2-CG2 4.22Å; L140-I310 HydrophobicContact CD2-CD1 4.22Å; L145-I310 HydrophobicContact CB-CD1 3.63Å; L145-I310 HydrophobicContact CD1-CD1 3.9Å; L145-I310 HydrophobicContact CD2-CD1 4.19Å; L145-I310 HydrophobicContact CG-CD1 4.11Å; V146-I310 HydrophobicContact CG1-CG2 3.98Å; P305-I310 HydrophobicContact CB-CD1 4Å; P305-I310 HydrophobicContact CB-CG1 3.84Å; P305-I310 HydrophobicContact CG-CD1 3.63Å; P305-I310 HydrophobicContact CG-CG1 3.79Å; K306-I310 WeakPolarHBondContact O-CG1 3.27Å; K306-I310 PolarHBondContact O-N 3.1Å; Q307-I310 PolarHBondContact O-N 3.25Å; E308-I310 VanDerWaalsContact C-N 3.3Å; E308-I310 PolarHBondContact O-N 3.25Å; I310-Q312 VanDerWaalsContact C-N 3.3Å
311S85.5Confident91.9Very high67 Ų6756.1 Ų56.147%0.46928%0.282SS..Hα-helixtrans-78-13178.855.90000113.6L65 Q307 W313L65-S311 WeakPolarHBondContact CD2-O 3.49Å; Q307-S311 WeakPolarHBondContact O-CB 3.43Å; Q307-S311 PolarHBondContact O-N 3.35Å; Q307-S311 PolarHBondContact O-OG 2.65Å; S311-W313 PolarHBondContact O-N 3.19Å; S311-W313 VanDerWaalsContact O-N 3.1Å
312Q85Confident91.9Very high56 Ų5649.1 Ų49.126%0.26225%0.245SC..  trans-77.693.1-179.2-177.8173.1500112.8E308 I310 K314 S363 L364E308-Q312 WeakPolarHBondContact O-CB 3.41Å; E308-Q312 PolarHBondContact O-N 3.22Å; E308-Q312 VanDerWaalsContact O-N 3.15Å; I310-Q312 VanDerWaalsContact C-N 3.3Å; Q312-K314 HydrophobicContact CG-CG 4.16Å; Q312-K314 PolarHBondContact O-N 2.95Å; Q312-S363 PolarHBondContact NE2-O 2.69Å; Q312-L364 HydrophobicContact CG-CD2 3.71Å
313W92.9Very high91.9Very high24 Ų2449.5 Ų49.59%0.09125%0.252CS..  trans-82.5106.4161.9-175.522.3000110.7L60 L65 F122 I124 S311 P316 V343 W347L60-W313 HydrophobicContact CB-CH2 4.31Å; L60-W313 HydrophobicContact CB-CZ2 4.35Å; L60-W313 HydrophobicContact CD1-CZ2 3.88Å; L60-W313 HydrophobicContact CD2-CD2 3.96Å; L60-W313 HydrophobicContact CD2-CE3 4.24Å; L60-W313 HydrophobicContact CD2-CH2 4.17Å; L60-W313 HydrophobicContact CD2-CZ2 3.86Å; L60-W313 HydrophobicContact CD2-CZ3 4.34Å; L60-W313 HydrophobicContact CG-CZ2 4.24Å; L65-W313 HydrophobicContact CD1-CB 3.75Å; L65-W313 HydrophobicContact CD1-CG 4.04Å; L65-W313 HydrophobicContact CD2-CB 4.28Å; F122-W313 PolarHBondContact O-NE1 2.9Å; I124-W313 HydrophobicContact CD1-CG 4.37Å; S311-W313 PolarHBondContact O-N 3.19Å; S311-W313 VanDerWaalsContact O-N 3.1Å; W313-P316 HydrophobicContact CZ2-CG 3.9Å; W313-V343 HydrophobicContact CH2-CG1 4.11Å; W313-V343 HydrophobicContact CZ2-CG1 3.76Å; W313-W347 AromaticContact CD2-CD1 3.51Å; W313-W347 AromaticContact CE2-CD1 3.6Å; W313-W347 AromaticContact CE3-CD1 3.58Å; W313-W347 HydrophobicContact CH2-CB 3.84Å; W313-W347 AromaticContact CH2-CD1 3.82Å; W313-W347 HydrophobicContact CH2-CG 4.27Å; W313-W347 HydrophobicContact CZ2-CB 4.17Å; W313-W347 AromaticContact CZ2-CD1 3.76Å; W313-W347 HydrophobicContact CZ2-CG 4.38Å; W313-W347 HydrophobicContact CZ3-CB 4.24Å; W313-W347 AromaticContact CZ3-CD1 3.74Å; W313-W347 HydrophobicContact CZ3-CG 4.38Å; W313-W347 PolarHBondContact O-NE1 3.19Å
314K94.4Very high91.9Very high61 Ų6144.1 Ų44.127%0.26522%0.218SC..PPolyproline II helixtrans-72.9156.5175.3-61.5-169.8-173.7-176.50111.6G123 Q312 P316 L364 D366G123-K314 PolarHBondContact O-N 3.07Å; Q312-K314 HydrophobicContact CG-CG 4.16Å; Q312-K314 PolarHBondContact O-N 2.95Å; K314-P316 WeakPolarHBondContact O-CD 3.46Å; K314-L364 CarbonylContact C-O 3.29Å; K314-L364 VanDerWaalsContact CA-O 3.23Å; K314-L364 WeakPolarHBondContact CA-O 3.31Å; K314-L364 VanDerWaalsContact CB-O 3.31Å; K314-L364 WeakPolarHBondContact CB-O 3.3Å; K314-D366 WeakPolarHBondContact CD-OD1 3.2Å; K314-D366 VanDerWaalsContact CD-OD2 3.26Å; K314-D366 WeakPolarHBondContact CD-OD2 3.19Å; K314-D366 IonicContact NZ-OD1 3.31Å; K314-D366 PolarHBondContact NZ-OD1 2.86Å; K314-D366 IonicContact NZ-OD2 2.71Å; K314-D366 PolarHBondContact NZ-OD2 2.92Å
315R94.6Very high92Very high7 Ų742.8 Ų42.83%0.02621%0.211CC..PPolyproline II helixtrans-61.6126.8178.4-171.1176.7-172.9-115.213.1111M344 W347 D348 L364 I365 Y367 V373R315-M344 HydrophobicContact CG-CG 4.46Å; R315-W347 HydrophobicContact CB-CD2 3.81Å; R315-W347 HydrophobicContact CB-CE3 3.8Å; R315-W347 HydrophobicContact CB-CH2 3.89Å; R315-W347 HydrophobicContact CB-CZ2 3.87Å; R315-W347 HydrophobicContact CB-CZ3 3.85Å; R315-W347 HydrophobicContact CG-CD2 3.85Å; R315-W347 HydrophobicContact CG-CE3 3.57Å; R315-W347 HydrophobicContact CG-CG 4.45Å; R315-W347 HydrophobicContact CG-CH2 4.46Å; R315-W347 HydrophobicContact CG-CZ3 3.91Å; R315-D348 IonicContact CZ-OD1 2.91Å; R315-D348 IonicContact CZ-OD2 2.83Å; R315-D348 IonicContact NE-OD1 3.6Å; R315-D348 PolarHBondContact NE-OD1 3.42Å; R315-D348 IonicContact NE-OD2 2.79Å; R315-D348 IonicContact NH2-OD1 3.88Å; R315-D348 PolarHBondContact NH2-OD1 2.87Å; R315-D348 IonicContact NH2-OD2 3.26Å; R315-D348 PolarHBondContact NH2-OD2 3.48Å; R315-L364 PolarHBondContact N-O 3.18Å; R315-I365 HydrophobicContact CB-CD1 4.3Å; R315-I365 HydrophobicContact CB-CG1 3.85Å; R315-Y367 WeakPolarHBondContact CD-OH 3.44Å; R315-Y367 PolarHBondContact NH1-OH 3.44Å; R315-V373 PolarHBondContact NH1-O 3.46Å; R315-V373 PolarHBondContact NH2-O 2.68Å
316P95.1Very high92Very high0 Ų045.8 Ų45.80%022%0.223CC..PPolyproline II helixtrans-54140.1173.8-24.832.9000112.2S121 W313 K314 F340 V343 M344 Y367S121-P316 WeakPolarHBondContact O-CA 3.19Å; W313-P316 HydrophobicContact CZ2-CG 3.9Å; K314-P316 WeakPolarHBondContact O-CD 3.46Å; P316-F340 HydrophobicContact CB-CE1 3.5Å; P316-F340 HydrophobicContact CB-CE2 4.31Å; P316-F340 HydrophobicContact CB-CZ 3.39Å; P316-V343 HydrophobicContact CG-CG1 4.28Å; P316-M344 HydrophobicContact CB-CB 4.32Å; P316-M344 HydrophobicContact CB-CG 4.38Å; P316-Y367 PolarHBondContact O-OH 3.04Å; P316-Y367 VanDerWaalsContact O-OH 3.14Å
317D92.7Very high92.1Very high6 Ų644.3 Ų44.33%0.03222%0.221CC..  trans-114.6101179.7-167.4-14.3000111.4S121 R319 K320 A321 Y367S121-D317 PolarHBondContact O-N 3.17Å; D317-R319 PolarHBondContact O-N 2.93Å; D317-R319 VanDerWaalsContact OD1-CB 3.29Å; D317-R319 WeakPolarHBondContact OD1-CB 3.37Å; D317-R319 IonicContact OD1-CZ 3.33Å; D317-R319 PolarHBondContact OD1-N 3.42Å; D317-R319 IonicContact OD1-NE 2.68Å; D317-R319 PolarHBondContact OD1-NE 3.46Å; D317-R319 IonicContact OD1-NH2 2.65Å; D317-R319 PolarHBondContact OD1-NH2 3.13Å; D317-R319 IonicContact OD2-CZ 2.75Å; D317-R319 IonicContact OD2-NE 3.5Å; D317-R319 IonicContact OD2-NH2 2.93Å; D317-R319 PolarHBondContact OD2-NH2 3.03Å; D317-K320 HydrophobicContact CB-CB 4.29Å; D317-K320 HydrophobicContact CB-CD 4.02Å; D317-K320 HydrophobicContact CB-CG 4.04Å; D317-K320 PolarHBondContact O-N 2.91Å; D317-K320 WeakPolarHBondContact OD2-CE 3.45Å; D317-A321 PolarHBondContact O-N 3.18Å; D317-Y367 HydrophobicContact CB-CD1 4.34Å; D317-Y367 HydrophobicContact CB-CE1 3.73Å; D317-Y367 WeakPolarHBondContact OD2-CD1 3.36Å
318P92Very high92.2Very high0 Ų043 Ų430%022%0.215CC..Hα-helixtrans-64.3-21.4179.128.5-36.2000112.4K320 A321 V322 L337 F340 M344 L399 F401P318-K320 VanDerWaalsContact C-N 3.25Å; P318-K320 PolarHBondContact O-N 3.25Å; P318-A321 PolarHBondContact O-N 3.33Å; P318-V322 VanDerWaalsContact O-CB 3.26Å; P318-V322 WeakPolarHBondContact O-CB 3.24Å; P318-V322 WeakPolarHBondContact O-CG2 3.47Å; P318-V322 PolarHBondContact O-N 3.28Å; P318-L337 HydrophobicContact CB-CD2 3.91Å; P318-F340 HydrophobicContact CB-CD1 3.96Å; P318-F340 HydrophobicContact CB-CE1 3.96Å; P318-M344 HydrophobicContact CG-SD 4.08Å; P318-L399 HydrophobicContact CG-CD1 4.39Å; P318-F401 HydrophobicContact CB-CE2 4.47Å; P318-F401 HydrophobicContact CG-CE2 3.85Å; P318-F401 HydrophobicContact CG-CZ 3.56Å
319R90.5Very high92.5Very high79 Ų7938.3 Ų38.330%0.29819%0.194SC..Hα-helixtrans-73.4-18.9175.9-53.5162.2-58.3-177.910.2112.4D317 P323 Y367 F401 W404D317-R319 PolarHBondContact O-N 2.93Å; D317-R319 VanDerWaalsContact OD1-CB 3.29Å; D317-R319 WeakPolarHBondContact OD1-CB 3.37Å; D317-R319 IonicContact OD1-CZ 3.33Å; D317-R319 PolarHBondContact OD1-N 3.42Å; D317-R319 IonicContact OD1-NE 2.68Å; D317-R319 PolarHBondContact OD1-NE 3.46Å; D317-R319 IonicContact OD1-NH2 2.65Å; D317-R319 PolarHBondContact OD1-NH2 3.13Å; D317-R319 IonicContact OD2-CZ 2.75Å; D317-R319 IonicContact OD2-NE 3.5Å; D317-R319 IonicContact OD2-NH2 2.93Å; D317-R319 PolarHBondContact OD2-NH2 3.03Å; R319-P323 WeakPolarHBondContact O-CD 3.39Å; R319-P323 VanDerWaalsContact O-CG 3.31Å; R319-P323 WeakPolarHBondContact O-CG 3.32Å; R319-Y367 VanDerWaalsContact NH2-CD1 3.26Å; R319-F401 HydrophobicContact CG-CD1 4.4Å; R319-F401 HydrophobicContact CG-CD2 3.52Å; R319-F401 HydrophobicContact CG-CE1 4.31Å; R319-F401 HydrophobicContact CG-CE2 3.45Å; R319-F401 VanDerWaalsContact CG-CE2 3.45Å; R319-F401 HydrophobicContact CG-CG 4.03Å; R319-F401 HydrophobicContact CG-CZ 3.87Å; R319-W404 HydrophobicContact CG-CH2 4.38Å
320K92.7Very high92.8Very high85 Ų8542.1 Ų42.137%0.3721%0.209SC..Hα-helixtrans-88.4-46.6167.8-62178.7-170.2174.10110.3D317 P318 F324D317-K320 HydrophobicContact CB-CB 4.29Å; D317-K320 HydrophobicContact CB-CD 4.02Å; D317-K320 HydrophobicContact CB-CG 4.04Å; D317-K320 PolarHBondContact O-N 2.91Å; D317-K320 WeakPolarHBondContact OD2-CE 3.45Å; P318-K320 VanDerWaalsContact C-N 3.25Å; P318-K320 PolarHBondContact O-N 3.25Å; K320-F324 VanDerWaalsContact O-CB 3.26Å; K320-F324 WeakPolarHBondContact O-CB 3.32Å; K320-F324 PolarHBondContact O-N 3.43Å
321A94.5Very high93Very high0 Ų043.4 Ų43.40%021%0.213CC..Hα-helixtrans-67.9-43-17400000113.7D317 P318 F324 C325 F340D317-A321 PolarHBondContact O-N 3.18Å; P318-A321 PolarHBondContact O-N 3.33Å; A321-F324 PolarHBondContact O-N 3.42Å; A321-C325 WeakPolarHBondContact O-CB 3.24Å; A321-C325 PolarHBondContact O-N 2.87Å; A321-C325 PolarHBondContact O-SG 3.22Å; A321-C325 VanDerWaalsContact O-SG 3.36Å; A321-F340 HydrophobicContact CB-CD2 3.69Å; A321-F340 HydrophobicContact CB-CE1 4.25Å; A321-F340 HydrophobicContact CB-CE2 3.33Å; A321-F340 HydrophobicContact CB-CG 4.28Å; A321-F340 HydrophobicContact CB-CZ 3.62Å
322V94.4Very high93.3Very high0 Ų043.3 Ų43.30%021%0.208CC..Hα-helixtrans-63.7-52.9-177.3169.20000112.1P318 F324 C325 Q326 P333 T336 L337 W404P318-V322 VanDerWaalsContact O-CB 3.26Å; P318-V322 WeakPolarHBondContact O-CB 3.24Å; P318-V322 WeakPolarHBondContact O-CG2 3.47Å; P318-V322 PolarHBondContact O-N 3.28Å; V322-F324 VanDerWaalsContact C-N 3.3Å; V322-F324 PolarHBondContact O-N 3.43Å; V322-C325 PolarHBondContact O-N 2.75Å; V322-Q326 WeakPolarHBondContact O-CB 3.42Å; V322-Q326 PolarHBondContact O-N 3.12Å; V322-P333 HydrophobicContact CG1-CB 3.65Å; V322-P333 HydrophobicContact CG1-CG 4.09Å; V322-T336 HydrophobicContact CG2-CG2 4.03Å; V322-L337 HydrophobicContact CG2-CD2 3.74Å; V322-L337 HydrophobicContact CG2-CG 3.84Å; V322-W404 HydrophobicContact CB-CE3 4.48Å; V322-W404 HydrophobicContact CB-CH2 4.26Å; V322-W404 HydrophobicContact CB-CZ2 4.34Å; V322-W404 HydrophobicContact CB-CZ3 4.32Å; V322-W404 HydrophobicContact CG1-CD2 3.73Å; V322-W404 HydrophobicContact CG1-CE3 3.98Å; V322-W404 HydrophobicContact CG1-CG 4.15Å; V322-W404 HydrophobicContact CG1-CH2 4.37Å; V322-W404 HydrophobicContact CG1-CZ2 4.13Å; V322-W404 HydrophobicContact CG1-CZ3 4.29Å; V322-W404 HydrophobicContact CG2-CZ3 4.36Å
323P93.8Very high93.7Very high44 Ų4441.5 Ų41.529%0.28620%0.201SC..Hα-helixtrans-61.3-37.4175-24.736.4000112.8R319 Q326 I327 W404R319-P323 WeakPolarHBondContact O-CD 3.39Å; R319-P323 VanDerWaalsContact O-CG 3.31Å; R319-P323 WeakPolarHBondContact O-CG 3.32Å; P323-Q326 PolarHBondContact O-N 3.02Å; P323-I327 WeakPolarHBondContact O-CB 3.4Å; P323-I327 VanDerWaalsContact O-CG1 3.23Å; P323-I327 WeakPolarHBondContact O-CG1 3.45Å; P323-I327 PolarHBondContact O-N 3.09Å; P323-W404 HydrophobicContact CG-CZ2 4.36Å
324F96.1Very high93.5Very high17 Ų1741.9 Ų41.98%0.07521%0.209CC..Hα-helixtrans-61.6-50.8177-178.2-87.8000111.8L49 E114 Q117 L118 K320 A321 V322 Q326 I327 H328L49-F324 HydrophobicContact CD1-CE1 4.07Å; L49-F324 HydrophobicContact CD1-CZ 3.79Å; L49-F324 HydrophobicContact CD2-CE1 4.3Å; L49-F324 HydrophobicContact CD2-CZ 3.96Å; L49-F324 HydrophobicContact CG-CZ 4.46Å; E114-F324 HydrophobicContact CB-CZ 4.42Å; E114-F324 WeakPolarHBondContact O-CZ 3.46Å; Q117-F324 HydrophobicContact CB-CD2 4.06Å; Q117-F324 HydrophobicContact CB-CE2 3.71Å; L118-F324 HydrophobicContact CB-CD1 4.41Å; L118-F324 HydrophobicContact CB-CE1 3.78Å; L118-F324 HydrophobicContact CB-CZ 3.99Å; L118-F324 HydrophobicContact CD1-CD1 3.86Å; L118-F324 HydrophobicContact CD1-CE1 3.87Å; L118-F324 HydrophobicContact CD2-CE1 4.26Å; L118-F324 HydrophobicContact CG-CE1 4.19Å; K320-F324 VanDerWaalsContact O-CB 3.26Å; K320-F324 WeakPolarHBondContact O-CB 3.32Å; K320-F324 PolarHBondContact O-N 3.43Å; A321-F324 PolarHBondContact O-N 3.42Å; V322-F324 VanDerWaalsContact C-N 3.3Å; V322-F324 PolarHBondContact O-N 3.43Å; F324-Q326 VanDerWaalsContact C-N 3.32Å; F324-Q326 PolarHBondContact O-N 3.27Å; F324-I327 PolarHBondContact O-N 3.28Å; F324-H328 AromaticContact CD2-CD2 3.53Å; F324-H328 AromaticContact CD2-NE2 3.89Å; F324-H328 HydrophobicContact CE1-CB 4.25Å; F324-H328 AromaticContact CE2-CD2 3.54Å; F324-H328 AromaticContact CE2-CG 3.95Å; F324-H328 AromaticContact CE2-NE2 3.76Å; F324-H328 HydrophobicContact CZ-CB 4.25Å; F324-H328 WeakPolarHBondContact O-CB 3.3Å; F324-H328 PolarHBondContact O-CD2 2.6Å; F324-H328 PolarHBondContact O-N 3.38Å
325C96Very high93.5Very high0 Ų042.9 Ų42.90%021%0.212CC..Hα-helixtrans-64.9-34.7177.4-68.90000112.3A321 V322 L329 N330 W331 T336A321-C325 WeakPolarHBondContact O-CB 3.24Å; A321-C325 PolarHBondContact O-N 2.87Å; A321-C325 PolarHBondContact O-SG 3.22Å; A321-C325 VanDerWaalsContact O-SG 3.36Å; V322-C325 PolarHBondContact O-N 2.75Å; C325-L329 HydrophobicContact CB-CD1 4.37Å; C325-L329 CarbonylContact O-C 3.5Å; C325-L329 WeakPolarHBondContact O-CA 3.21Å; C325-L329 VanDerWaalsContact O-CB 3.28Å; C325-L329 WeakPolarHBondContact O-CB 3.45Å; C325-L329 PolarHBondContact O-N 3.3Å; C325-N330 PolarHBondContact O-N 2.71Å; C325-W331 HydrophobicContact CB-CB 4.19Å; C325-W331 HydrophobicContact CB-CD2 4.41Å; C325-W331 HydrophobicContact CB-CE3 3.91Å; C325-W331 PolarHBondContact O-N 2.98Å; C325-W331 VanDerWaalsContact O-N 3.16Å; C325-T336 HydrophobicContact CB-CG2 3.74Å; C325-T336 WeakPolarHBondContact CB-OG1 3.33Å
326Q93.6Very high93.5Very high92 Ų9242.5 Ų42.543%0.4321%0.211SC..Hα-helixtrans-65.3-42.3174.8-165.7-176.3-6500111.9V322 P323 F324 N330 P333V322-Q326 WeakPolarHBondContact O-CB 3.42Å; V322-Q326 PolarHBondContact O-N 3.12Å; P323-Q326 PolarHBondContact O-N 3.02Å; F324-Q326 VanDerWaalsContact C-N 3.32Å; F324-Q326 PolarHBondContact O-N 3.27Å; Q326-N330 WeakPolarHBondContact O-CA 3.36Å; Q326-N330 PolarHBondContact O-N 3.32Å; Q326-P333 VanDerWaalsContact OE1-CG 3.3Å
327I93.8Very high93.4Very high120 Ų12042.7 Ų42.762%0.61521%0.212SC*.Hα-helixtrans-78.6-43.3-177.3-66.9167.6000112.5P323 F324P323-I327 WeakPolarHBondContact O-CB 3.4Å; P323-I327 VanDerWaalsContact O-CG1 3.23Å; P323-I327 WeakPolarHBondContact O-CG1 3.45Å; P323-I327 PolarHBondContact O-N 3.09Å; F324-I327 PolarHBondContact O-N 3.28Å
328H94.1Very high93.4Very high53 Ų5348.5 Ų48.525%0.24524%0.238CC..Hα-helixtrans-97.4-20.8-170.9-67.4-94.4000114.1A46 L49 E114 F324A46-H328 WeakPolarHBondContact CB-O 3.36Å; L49-H328 HydrophobicContact CD1-CB 3.74Å; E114-H328 IonicContact OE1-CE1 3.39Å; E114-H328 IonicContact OE1-ND1 3.56Å; F324-H328 AromaticContact CD2-CD2 3.53Å; F324-H328 AromaticContact CD2-NE2 3.89Å; F324-H328 HydrophobicContact CE1-CB 4.25Å; F324-H328 AromaticContact CE2-CD2 3.54Å; F324-H328 AromaticContact CE2-CG 3.95Å; F324-H328 AromaticContact CE2-NE2 3.76Å; F324-H328 HydrophobicContact CZ-CB 4.25Å; F324-H328 WeakPolarHBondContact O-CB 3.3Å; F324-H328 PolarHBondContact O-CD2 2.6Å; F324-H328 PolarHBondContact O-N 3.38Å
329L94.4Very high93.5Very high25 Ų2550.9 Ų50.913%0.13125%0.25CC..Hα-helixtrans-120.8-2.9-178-59.7172.9000113.5A46 L49 R50 C325 W331A46-L329 HydrophobicContact CB-CD2 3.74Å; L49-L329 HydrophobicContact CB-CD2 3.85Å; L49-L329 HydrophobicContact CB-CG 4.49Å; R50-L329 HydrophobicContact CB-CD2 4.09Å; C325-L329 HydrophobicContact CB-CD1 4.37Å; C325-L329 CarbonylContact O-C 3.5Å; C325-L329 WeakPolarHBondContact O-CA 3.21Å; C325-L329 VanDerWaalsContact O-CB 3.28Å; C325-L329 WeakPolarHBondContact O-CB 3.45Å; C325-L329 PolarHBondContact O-N 3.3Å; L329-W331 HydrophobicContact CB-CD2 3.99Å; L329-W331 HydrophobicContact CB-CG 3.82Å; L329-W331 HydrophobicContact CD1-CD2 3.95Å; L329-W331 HydrophobicContact CD1-CE3 4.06Å; L329-W331 HydrophobicContact CD1-CH2 3.95Å; L329-W331 HydrophobicContact CD1-CZ2 3.83Å; L329-W331 HydrophobicContact CD1-CZ3 4.06Å; L329-W331 PolarHBondContact O-N 3.38Å
330N93.8Very high93.7Very high144 Ų14447.1 Ų47.177%0.7724%0.235SC*.  trans5137.2-170.4-68.5-3.2000112.9C325 Q326C325-N330 PolarHBondContact O-N 2.71Å; Q326-N330 WeakPolarHBondContact O-CA 3.36Å; Q326-N330 PolarHBondContact O-N 3.32Å
331W94Very high93.8Very high31 Ų3143.2 Ų43.212%0.11722%0.218CC..  trans-84.3141.4179.3-73.83.6000112.3R50 F53 F54 C325 L329 Y335R50-W331 HydrophobicContact CB-CZ2 4.44Å; R50-W331 HydrophobicContact CG-CZ2 4.07Å; F53-W331 HydrophobicContact CB-CH2 4.36Å; F53-W331 AromaticContact CD1-CH2 3.76Å; F53-W331 HydrophobicContact CD1-CH2 3.76Å; F53-W331 AromaticContact CD1-CZ3 3.75Å; F53-W331 HydrophobicContact CD1-CZ3 3.75Å; F53-W331 HydrophobicContact CD2-CH2 4.43Å; F53-W331 AromaticContact CD2-CZ3 3.91Å; F53-W331 HydrophobicContact CD2-CZ3 3.91Å; F53-W331 HydrophobicContact CE1-CH2 4.16Å; F53-W331 AromaticContact CE1-CZ3 3.76Å; F53-W331 HydrophobicContact CE1-CZ3 3.76Å; F53-W331 AromaticContact CE2-CZ3 3.93Å; F53-W331 HydrophobicContact CE2-CZ3 3.93Å; F53-W331 AromaticContact CG-CH2 3.94Å; F53-W331 HydrophobicContact CG-CH2 3.94Å; F53-W331 AromaticContact CG-CZ3 3.86Å; F53-W331 HydrophobicContact CG-CZ3 3.86Å; F53-W331 AromaticContact CZ-CZ3 3.87Å; F53-W331 HydrophobicContact CZ-CZ3 3.87Å; F54-W331 HydrophobicContact CD2-CH2 4.4Å; F54-W331 AromaticContact CE2-CH2 3.55Å; F54-W331 HydrophobicContact CE2-CH2 3.55Å; F54-W331 AromaticContact CE2-CZ2 3.82Å; F54-W331 HydrophobicContact CE2-CZ2 3.82Å; F54-W331 AromaticContact CZ-CH2 3.69Å; F54-W331 HydrophobicContact CZ-CH2 3.69Å; F54-W331 HydrophobicContact CZ-CZ2 4.19Å; C325-W331 HydrophobicContact CB-CB 4.19Å; C325-W331 HydrophobicContact CB-CD2 4.41Å; C325-W331 HydrophobicContact CB-CE3 3.91Å; C325-W331 PolarHBondContact O-N 2.98Å; C325-W331 VanDerWaalsContact O-N 3.16Å; L329-W331 HydrophobicContact CB-CD2 3.99Å; L329-W331 HydrophobicContact CB-CG 3.82Å; L329-W331 HydrophobicContact CD1-CD2 3.95Å; L329-W331 HydrophobicContact CD1-CE3 4.06Å; L329-W331 HydrophobicContact CD1-CH2 3.95Å; L329-W331 HydrophobicContact CD1-CZ2 3.83Å; L329-W331 HydrophobicContact CD1-CZ3 4.06Å; L329-W331 PolarHBondContact O-N 3.38Å; W331-Y335 HydrophobicContact CB-CD1 4.29Å; W331-Y335 AromaticContact CD2-CD1 3.73Å; W331-Y335 HydrophobicContact CD2-CD1 3.73Å; W331-Y335 AromaticContact CD2-CE1 3.74Å; W331-Y335 HydrophobicContact CD2-CE1 3.74Å; W331-Y335 AromaticContact CE2-CE1 3.78Å; W331-Y335 AromaticContact CE3-CD1 3.87Å; W331-Y335 HydrophobicContact CE3-CD1 3.87Å; W331-Y335 AromaticContact CE3-CE1 3.92Å; W331-Y335 HydrophobicContact CE3-CE1 3.92Å; W331-Y335 AromaticContact CG-CD1 3.93Å; W331-Y335 HydrophobicContact CG-CD1 3.93Å; W331-Y335 HydrophobicContact CG-CE1 4.27Å; W331-Y335 HydrophobicContact CH2-CE1 4.21Å; W331-Y335 HydrophobicContact CZ2-CE1 4.03Å; W331-Y335 HydrophobicContact CZ3-CD1 4.47Å; W331-Y335 HydrophobicContact CZ3-CE1 4.15Å
332D92Very high93.9Very high66 Ų6644.2 Ų44.235%0.35323%0.225SC..  trans-60135.1165.4-173.7-78000109.7A334 Y335 T336 K408D332-A334 VanDerWaalsContact C-N 3.28Å; D332-A334 PolarHBondContact O-N 3.06Å; D332-A334 WeakPolarHBondContact OD1-CA 3.33Å; D332-A334 VanDerWaalsContact OD1-CB 3.26Å; D332-A334 WeakPolarHBondContact OD1-CB 3.19Å; D332-A334 PolarHBondContact OD1-N 3.34Å; D332-Y335 WeakPolarHBondContact O-CB 3.29Å; D332-Y335 PolarHBondContact O-N 2.82Å; D332-Y335 VanDerWaalsContact O-N 3.09Å; D332-T336 PolarHBondContact O-N 3.35Å; D332-T336 PolarHBondContact O-OG1 3.2Å; D332-K408 IonicContact OD1-NZ 2.71Å; D332-K408 PolarHBondContact OD1-NZ 2.91Å; D332-K408 VanDerWaalsContact OD1-NZ 3.11Å; D332-K408 VanDerWaalsContact OD2-CE 3.26Å; D332-K408 WeakPolarHBondContact OD2-CE 3.41Å; D332-K408 IonicContact OD2-NZ 3.49Å; D332-K408 PolarHBondContact OD2-NZ 2.86Å
333P91.9Very high93.9Very high17 Ų1744.2 Ų44.211%0.1123%0.225CC..Hα-helixtrans-54.4-39.9177.7-34.541000114.5V322 Q326 Y335 T336 L337 W404V322-P333 HydrophobicContact CG1-CB 3.65Å; V322-P333 HydrophobicContact CG1-CG 4.09Å; Q326-P333 VanDerWaalsContact OE1-CG 3.3Å; P333-Y335 VanDerWaalsContact C-N 3.33Å; P333-Y335 PolarHBondContact O-N 3.22Å; P333-T336 PolarHBondContact O-N 3.4Å; P333-L337 WeakPolarHBondContact O-CG 3.26Å; P333-L337 PolarHBondContact O-N 2.78Å; P333-W404 HydrophobicContact CB-CB 3.32Å; P333-W404 HydrophobicContact CB-CG 3.85Å; P333-W404 HydrophobicContact CG-CB 3.76Å; P333-W404 HydrophobicContact CG-CG 4.11Å
334A89.8Confident94Very high33 Ų3342.1 Ų42.127%0.27321%0.211SC..Hα-helixtrans-68.3-34.7178.600000111.6D332 L337 Q338D332-A334 VanDerWaalsContact C-N 3.28Å; D332-A334 PolarHBondContact O-N 3.06Å; D332-A334 WeakPolarHBondContact OD1-CA 3.33Å; D332-A334 VanDerWaalsContact OD1-CB 3.26Å; D332-A334 WeakPolarHBondContact OD1-CB 3.19Å; D332-A334 PolarHBondContact OD1-N 3.34Å; A334-L337 PolarHBondContact O-N 3.48Å; A334-Q338 WeakPolarHBondContact O-CB 3.45Å; A334-Q338 PolarHBondContact O-N 2.57Å
335Y92.9Very high94Very high81 Ų8141.3 Ų41.332%0.31821%0.208SC..Hα-helixtrans-64.5-40.8173.1-178.3-102.8000111.9W331 D332 P333 Q338 H339W331-Y335 HydrophobicContact CB-CD1 4.29Å; W331-Y335 AromaticContact CD2-CD1 3.73Å; W331-Y335 HydrophobicContact CD2-CD1 3.73Å; W331-Y335 AromaticContact CD2-CE1 3.74Å; W331-Y335 HydrophobicContact CD2-CE1 3.74Å; W331-Y335 AromaticContact CE2-CE1 3.78Å; W331-Y335 AromaticContact CE3-CD1 3.87Å; W331-Y335 HydrophobicContact CE3-CD1 3.87Å; W331-Y335 AromaticContact CE3-CE1 3.92Å; W331-Y335 HydrophobicContact CE3-CE1 3.92Å; W331-Y335 AromaticContact CG-CD1 3.93Å; W331-Y335 HydrophobicContact CG-CD1 3.93Å; W331-Y335 HydrophobicContact CG-CE1 4.27Å; W331-Y335 HydrophobicContact CH2-CE1 4.21Å; W331-Y335 HydrophobicContact CZ2-CE1 4.03Å; W331-Y335 HydrophobicContact CZ3-CD1 4.47Å; W331-Y335 HydrophobicContact CZ3-CE1 4.15Å; D332-Y335 WeakPolarHBondContact O-CB 3.29Å; D332-Y335 PolarHBondContact O-N 2.82Å; D332-Y335 VanDerWaalsContact O-N 3.09Å; P333-Y335 VanDerWaalsContact C-N 3.33Å; P333-Y335 PolarHBondContact O-N 3.22Å; Y335-Q338 PolarHBondContact O-N 3.41Å; Y335-H339 AromaticContact CE2-CD2 3.83Å; Y335-H339 AromaticContact CE2-NE2 3.4Å; Y335-H339 WeakPolarHBondContact CE2-NE2 3.37Å; Y335-H339 AromaticContact CZ-CD2 3.71Å; Y335-H339 AromaticContact CZ-NE2 3.47Å; Y335-H339 PolarHBondContact O-CD2 2.86Å; Y335-H339 PolarHBondContact OH-NE2 3.08Å
336T94.6Very high93.9Very high0 Ų041.7 Ų41.70%021%0.21CC..Hα-helixtrans-63.5-48.4174.9-53.60000110.8F53 V322 C325 D332 P333 Q338 H339 F340F53-T336 HydrophobicContact CE2-CG2 4.3Å; V322-T336 HydrophobicContact CG2-CG2 4.03Å; C325-T336 HydrophobicContact CB-CG2 3.74Å; C325-T336 WeakPolarHBondContact CB-OG1 3.33Å; D332-T336 PolarHBondContact O-N 3.35Å; D332-T336 PolarHBondContact O-OG1 3.2Å; P333-T336 PolarHBondContact O-N 3.4Å; T336-Q338 PolarHBondContact O-N 3.06Å; T336-H339 PolarHBondContact O-N 3.09Å; T336-F340 WeakPolarHBondContact O-CB 3.42Å; T336-F340 PolarHBondContact O-N 3.22Å
337L93.7Very high93.9Very high4 Ų437.3 Ų37.32%0.02119%0.189CC..Hα-helixtrans-60.8-40.2178-70.8171.8000112.5P318 V322 P333 A334 H339 F340 L341 D402 Y429P318-L337 HydrophobicContact CB-CD2 3.91Å; V322-L337 HydrophobicContact CG2-CD2 3.74Å; V322-L337 HydrophobicContact CG2-CG 3.84Å; P333-L337 WeakPolarHBondContact O-CG 3.26Å; P333-L337 PolarHBondContact O-N 2.78Å; A334-L337 PolarHBondContact O-N 3.48Å; L337-H339 PolarHBondContact O-N 2.99Å; L337-F340 PolarHBondContact O-N 3.44Å; L337-L341 HydrophobicContact CB-CD1 3.94Å; L337-L341 HydrophobicContact CB-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.17Å; L337-L341 HydrophobicContact CD2-CD2 4.05Å; L337-L341 HydrophobicContact CD2-CG 3.98Å; L337-L341 VanDerWaalsContact O-CB 3.3Å; L337-L341 WeakPolarHBondContact O-CB 3.19Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.31Å; L337-L341 PolarHBondContact O-N 3.44Å; L337-D402 WeakPolarHBondContact CD1-OD2 3.41Å; L337-Y429 HydrophobicContact CD1-CE1 4.48Å
338Q92.6Very high94Very high127 Ų12731.6 Ų31.659%0.59316%0.16SC*.Hα-helixtrans-54.5-36.3178.1-178-177.93.500112.9A334 Y335 T336 P342A334-Q338 WeakPolarHBondContact O-CB 3.45Å; A334-Q338 PolarHBondContact O-N 2.57Å; Y335-Q338 PolarHBondContact O-N 3.41Å; T336-Q338 PolarHBondContact O-N 3.06Å; Q338-P342 WeakPolarHBondContact O-CD 3.4Å; Q338-P342 WeakPolarHBondContact O-CG 3.26Å
339H94Very high94Very high51 Ų5129 Ų2924%0.23615%0.148CC..Hα-helixtrans-94.3-28.6178.7-68.2-66.2000113.8F53 F54 Y335 T336 L337F53-H339 HydrophobicContact CE1-CB 3.68Å; F53-H339 HydrophobicContact CZ-CB 3.98Å; F54-H339 AromaticContact CE1-CG 3.96Å; F54-H339 AromaticContact CE1-ND1 3.98Å; Y335-H339 AromaticContact CE2-CD2 3.83Å; Y335-H339 AromaticContact CE2-NE2 3.4Å; Y335-H339 WeakPolarHBondContact CE2-NE2 3.37Å; Y335-H339 AromaticContact CZ-CD2 3.71Å; Y335-H339 AromaticContact CZ-NE2 3.47Å; Y335-H339 PolarHBondContact O-CD2 2.86Å; Y335-H339 PolarHBondContact OH-NE2 3.08Å; T336-H339 PolarHBondContact O-N 3.09Å; L337-H339 PolarHBondContact O-N 2.99Å
340F95.2Very high93.9Very high0 Ų030.4 Ų30.40%015%0.152CC..Hα-helixtrans-85.2-41.7-175.4-165.9-88.7000113.4F53 S121 F122 P316 P318 A321 T336 L337 V343 M344F53-F340 HydrophobicContact CE2-CD2 4.23Å; F53-F340 HydrophobicContact CZ-CB 4.43Å; F53-F340 HydrophobicContact CZ-CD2 4.48Å; S121-F340 WeakPolarHBondContact O-CZ 3.33Å; F122-F340 HydrophobicContact CD1-CD2 4.31Å; F122-F340 AromaticContact CD1-CE2 3.89Å; F122-F340 HydrophobicContact CD1-CE2 3.89Å; F122-F340 AromaticContact CD2-CE2 3.94Å; F122-F340 HydrophobicContact CD2-CE2 3.94Å; F122-F340 AromaticContact CE1-CD2 3.78Å; F122-F340 HydrophobicContact CE1-CD2 3.78Å; F122-F340 AromaticContact CE1-CE2 3.83Å; F122-F340 HydrophobicContact CE1-CE2 3.83Å; F122-F340 HydrophobicContact CE2-CD2 4.06Å; F122-F340 AromaticContact CE2-CE2 3.88Å; F122-F340 HydrophobicContact CE2-CE2 3.88Å; F122-F340 AromaticContact CG-CE2 3.94Å; F122-F340 HydrophobicContact CG-CE2 3.94Å; F122-F340 AromaticContact CZ-CD2 3.65Å; F122-F340 HydrophobicContact CZ-CD2 3.65Å; F122-F340 AromaticContact CZ-CE2 3.83Å; F122-F340 HydrophobicContact CZ-CE2 3.83Å; P316-F340 HydrophobicContact CB-CE1 3.5Å; P316-F340 HydrophobicContact CB-CE2 4.31Å; P316-F340 HydrophobicContact CB-CZ 3.39Å; P318-F340 HydrophobicContact CB-CD1 3.96Å; P318-F340 HydrophobicContact CB-CE1 3.96Å; A321-F340 HydrophobicContact CB-CD2 3.69Å; A321-F340 HydrophobicContact CB-CE1 4.25Å; A321-F340 HydrophobicContact CB-CE2 3.33Å; A321-F340 HydrophobicContact CB-CG 4.28Å; A321-F340 HydrophobicContact CB-CZ 3.62Å; T336-F340 WeakPolarHBondContact O-CB 3.42Å; T336-F340 PolarHBondContact O-N 3.22Å; L337-F340 PolarHBondContact O-N 3.44Å; F340-V343 WeakPolarHBondContact O-CB 3.43Å; F340-V343 PolarHBondContact O-N 3.24Å; F340-M344 PolarHBondContact O-N 2.85Å; F340-M344 VanDerWaalsContact O-N 3.12Å
341L95.1Very high93.8Very high2 Ų225.6 Ų25.61%0.0112%0.124CC..Hα-helixtrans-60.3-37.3-178.4-66.9177.4000114.1L337 V343 M344 A345 L399 Y429 F431L337-L341 HydrophobicContact CB-CD1 3.94Å; L337-L341 HydrophobicContact CB-CG 4.15Å; L337-L341 HydrophobicContact CD2-CD1 4.17Å; L337-L341 HydrophobicContact CD2-CD2 4.05Å; L337-L341 HydrophobicContact CD2-CG 3.98Å; L337-L341 VanDerWaalsContact O-CB 3.3Å; L337-L341 WeakPolarHBondContact O-CB 3.19Å; L337-L341 VanDerWaalsContact O-CG 3.31Å; L337-L341 WeakPolarHBondContact O-CG 3.31Å; L337-L341 PolarHBondContact O-N 3.44Å; L341-V343 PolarHBondContact O-N 2.93Å; L341-M344 HydrophobicContact CD2-CE 3.93Å; L341-M344 PolarHBondContact O-N 3.37Å; L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 3.36Å; L341-L399 HydrophobicContact CD2-CD1 3.69Å; L341-Y429 HydrophobicContact CD1-CD1 3.77Å; L341-Y429 HydrophobicContact CD1-CD2 3.62Å; L341-Y429 HydrophobicContact CD1-CE1 3.79Å; L341-Y429 HydrophobicContact CD1-CE2 3.6Å; L341-Y429 HydrophobicContact CD1-CG 3.69Å; L341-F431 HydrophobicContact CB-CD1 4.49Å; L341-F431 HydrophobicContact CB-CE1 3.72Å; L341-F431 HydrophobicContact CB-CZ 4.04Å
342P95.3Very high93.7Very high22 Ų2226.2 Ų26.214%0.14313%0.132CC..Hα-helixtrans-60-30.9173.2-25.234.7000114Q338 L346 F431Q338-P342 WeakPolarHBondContact O-CD 3.4Å; Q338-P342 WeakPolarHBondContact O-CG 3.26Å; P342-L346 WeakPolarHBondContact O-CB 3.41Å; P342-L346 PolarHBondContact O-N 3.15Å; P342-F431 HydrophobicContact CB-CD2 4.01Å; P342-F431 HydrophobicContact CB-CE2 4.31Å; P342-F431 HydrophobicContact CB-CG 4.47Å; P342-F431 HydrophobicContact CG-CB 4.01Å; P342-F431 HydrophobicContact CG-CD1 4.35Å; P342-F431 HydrophobicContact CG-CD2 3.88Å; P342-F431 HydrophobicContact CG-CE2 4.38Å; P342-F431 HydrophobicContact CG-CG 3.85Å
343V95.3Very high93.6Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-76.1-41.9176.1177.20000110.6V57 L60 R61 F122 W313 P316 F340 L341 L346 W347V57-V343 HydrophobicContact CB-CG2 4.31Å; V57-V343 HydrophobicContact CG1-CG2 4.03Å; V57-V343 HydrophobicContact CG2-CG2 4.09Å; L60-V343 HydrophobicContact CB-CG1 4Å; L60-V343 HydrophobicContact CD1-CG1 3.69Å; L60-V343 HydrophobicContact CG-CG1 4.5Å; R61-V343 HydrophobicContact CG-CG2 4.36Å; F122-V343 HydrophobicContact CD1-CG1 4.41Å; W313-V343 HydrophobicContact CH2-CG1 4.11Å; W313-V343 HydrophobicContact CZ2-CG1 3.76Å; P316-V343 HydrophobicContact CG-CG1 4.28Å; F340-V343 WeakPolarHBondContact O-CB 3.43Å; F340-V343 PolarHBondContact O-N 3.24Å; L341-V343 PolarHBondContact O-N 2.93Å; V343-L346 PolarHBondContact O-N 2.75Å; V343-W347 PolarHBondContact O-N 2.89Å
344M95.1Very high93.5Very high0 Ų026.3 Ų26.30%013%0.129CC..Hα-helixtrans-63.7-43174.9-165.1-173.177.200111.9R315 P316 P318 F340 L341 L346 W347 D348 L375 L399R315-M344 HydrophobicContact CG-CG 4.46Å; P316-M344 HydrophobicContact CB-CB 4.32Å; P316-M344 HydrophobicContact CB-CG 4.38Å; P318-M344 HydrophobicContact CG-SD 4.08Å; F340-M344 PolarHBondContact O-N 2.85Å; F340-M344 VanDerWaalsContact O-N 3.12Å; L341-M344 HydrophobicContact CD2-CE 3.93Å; L341-M344 PolarHBondContact O-N 3.37Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 3.5Å; M344-W347 VanDerWaalsContact O-CB 3.3Å; M344-W347 WeakPolarHBondContact O-CB 3.23Å; M344-W347 PolarHBondContact O-N 2.96Å; M344-W347 VanDerWaalsContact O-N 3.13Å; M344-D348 PolarHBondContact O-N 2.86Å; M344-L375 HydrophobicContact CE-CB 3.78Å; M344-L375 HydrophobicContact CE-CD1 4.23Å; M344-L375 HydrophobicContact CE-CD2 4.49Å; M344-L375 HydrophobicContact CE-CG 4.38Å; M344-L399 HydrophobicContact CE-CD1 3.96Å
345A95.9Very high93.4Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-61.9-39.6175.100000112.2L341 W347 D348 L349 L375 W396 F431 V433L341-A345 WeakPolarHBondContact O-CB 3.3Å; L341-A345 PolarHBondContact O-N 3.36Å; A345-W347 VanDerWaalsContact C-N 3.29Å; A345-W347 PolarHBondContact O-N 3.42Å; A345-D348 PolarHBondContact O-N 3.41Å; A345-L349 WeakPolarHBondContact O-CB 3.32Å; A345-L349 VanDerWaalsContact O-CG 3.24Å; A345-L349 WeakPolarHBondContact O-CG 3.23Å; A345-L349 PolarHBondContact O-N 2.91Å; A345-L375 HydrophobicContact CB-CD2 3.56Å; A345-W396 HydrophobicContact CB-CH2 4.11Å; A345-W396 HydrophobicContact CB-CZ2 4.18Å; A345-F431 HydrophobicContact CB-CE2 3.53Å; A345-F431 HydrophobicContact CB-CZ 3.76Å; A345-V433 HydrophobicContact CB-CG1 4.18Å
346L94.6Very high93.1Very high7 Ų729.8 Ų29.84%0.03715%0.145CC..Hα-helixtrans-65.8-33.2175.5-172.561.7000111.9L60 P342 V343 M344 R350 P434L60-L346 WeakPolarHBondContact O-CD2 3.21Å; P342-L346 WeakPolarHBondContact O-CB 3.41Å; P342-L346 PolarHBondContact O-N 3.15Å; V343-L346 PolarHBondContact O-N 2.75Å; M344-L346 VanDerWaalsContact C-N 3.32Å; M344-L346 PolarHBondContact O-N 3.5Å; L346-R350 VanDerWaalsContact O-CG 3.28Å; L346-R350 WeakPolarHBondContact O-CG 3.4Å; L346-R350 PolarHBondContact O-N 2.82Å; L346-P434 HydrophobicContact CD1-CG 4.29Å
347W94.9Very high92.7Very high0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-64.9-48.9170.3-16898.7000111.3W313 R315 V343 M344 A345 L349 R350 H351 I354 I361 L364 I365W313-W347 AromaticContact CD2-CD1 3.51Å; W313-W347 AromaticContact CE2-CD1 3.6Å; W313-W347 AromaticContact CE3-CD1 3.58Å; W313-W347 HydrophobicContact CH2-CB 3.84Å; W313-W347 AromaticContact CH2-CD1 3.82Å; W313-W347 HydrophobicContact CH2-CG 4.27Å; W313-W347 HydrophobicContact CZ2-CB 4.17Å; W313-W347 AromaticContact CZ2-CD1 3.76Å; W313-W347 HydrophobicContact CZ2-CG 4.38Å; W313-W347 HydrophobicContact CZ3-CB 4.24Å; W313-W347 AromaticContact CZ3-CD1 3.74Å; W313-W347 HydrophobicContact CZ3-CG 4.38Å; W313-W347 PolarHBondContact O-NE1 3.19Å; R315-W347 HydrophobicContact CB-CD2 3.81Å; R315-W347 HydrophobicContact CB-CE3 3.8Å; R315-W347 HydrophobicContact CB-CH2 3.89Å; R315-W347 HydrophobicContact CB-CZ2 3.87Å; R315-W347 HydrophobicContact CB-CZ3 3.85Å; R315-W347 HydrophobicContact CG-CD2 3.85Å; R315-W347 HydrophobicContact CG-CE3 3.57Å; R315-W347 HydrophobicContact CG-CG 4.45Å; R315-W347 HydrophobicContact CG-CH2 4.46Å; R315-W347 HydrophobicContact CG-CZ3 3.91Å; V343-W347 PolarHBondContact O-N 2.89Å; M344-W347 VanDerWaalsContact O-CB 3.3Å; M344-W347 WeakPolarHBondContact O-CB 3.23Å; M344-W347 PolarHBondContact O-N 2.96Å; M344-W347 VanDerWaalsContact O-N 3.13Å; A345-W347 VanDerWaalsContact C-N 3.29Å; A345-W347 PolarHBondContact O-N 3.42Å; W347-L349 VanDerWaalsContact C-N 3.33Å; W347-L349 PolarHBondContact O-N 3.03Å; W347-R350 PolarHBondContact O-N 3.18Å; W347-H351 AromaticContact CD1-CE1 3.95Å; W347-H351 AromaticContact CD2-CE1 3.94Å; W347-H351 AromaticContact CD2-ND1 3.38Å; W347-H351 AromaticContact CE2-CE1 3.45Å; W347-H351 VanDerWaalsContact CE2-CE1 3.45Å; W347-H351 AromaticContact CE2-CG 3.96Å; W347-H351 AromaticContact CE2-ND1 3.3Å; W347-H351 VanDerWaalsContact CE2-ND1 3.3Å; W347-H351 HydrophobicContact CE3-CB 4.07Å; W347-H351 AromaticContact CE3-ND1 3.73Å; W347-H351 AromaticContact CG-ND1 3.87Å; W347-H351 HydrophobicContact CH2-CB 3.81Å; W347-H351 AromaticContact CH2-CG 3.72Å; W347-H351 AromaticContact CH2-ND1 3.91Å; W347-H351 HydrophobicContact CZ2-CB 4.34Å; W347-H351 AromaticContact CZ2-CE1 3.75Å; W347-H351 AromaticContact CZ2-CG 3.74Å; W347-H351 AromaticContact CZ2-ND1 3.57Å; W347-H351 HydrophobicContact CZ3-CB 3.65Å; W347-H351 AromaticContact CZ3-CG 3.91Å; W347-H351 AromaticContact CZ3-ND1 3.98Å; W347-H351 AromaticContact NE1-CE1 3.47Å; W347-H351 PolarHBondContact NE1-CE1 3.25Å; W347-H351 AromaticContact NE1-ND1 3.73Å; W347-H351 PolarHBondContact O-N 3.3Å; W347-H351 PolarHBondContact O-ND1 3.47Å; W347-I354 HydrophobicContact CZ3-CD1 4.19Å; W347-I361 HydrophobicContact CH2-CD1 4.04Å; W347-I361 HydrophobicContact CZ3-CD1 4.15Å; W347-L364 HydrophobicContact CH2-CB 4.15Å; W347-L364 HydrophobicContact CH2-CD1 4.41Å; W347-L364 HydrophobicContact CZ2-CB 3.76Å; W347-L364 HydrophobicContact CZ2-CD1 4.02Å; W347-I365 HydrophobicContact CH2-CD1 3.9Å; W347-I365 HydrophobicContact CH2-CG1 4Å; W347-I365 HydrophobicContact CZ3-CD1 4.09Å
348D94.4Very high92.1Very high0 Ų034.1 Ų34.10%018%0.175CC..Hα-helixtrans-61-39.9-179.9-68.8-3000111.8R315 M344 A345 R350 H351 I354 Y355R315-D348 IonicContact CZ-OD1 2.91Å; R315-D348 IonicContact CZ-OD2 2.83Å; R315-D348 IonicContact NE-OD1 3.6Å; R315-D348 PolarHBondContact NE-OD1 3.42Å; R315-D348 IonicContact NE-OD2 2.79Å; R315-D348 IonicContact NH2-OD1 3.88Å; R315-D348 PolarHBondContact NH2-OD1 2.87Å; R315-D348 IonicContact NH2-OD2 3.26Å; R315-D348 PolarHBondContact NH2-OD2 3.48Å; M344-D348 PolarHBondContact O-N 2.86Å; A345-D348 PolarHBondContact O-N 3.41Å; D348-R350 VanDerWaalsContact C-N 3.28Å; D348-R350 PolarHBondContact O-N 3.03Å; D348-H351 CarbonylContact O-C 3.52Å; D348-H351 VanDerWaalsContact O-C 3.22Å; D348-H351 PolarHBondContact O-N 2.78Å; D348-I354 HydrophobicContact CB-CG2 4.06Å; D348-I354 WeakPolarHBondContact OD1-CD1 3.46Å; D348-Y355 HydrophobicContact CB-CE2 4.21Å
349L94.6Very high91.7Very high0 Ų032.6 Ų32.60%018%0.178CC..Hα-helixtrans-69.9-22.5175.9-68.3174.6000113.7A345 W347 V433 E437 F438 V441A345-L349 WeakPolarHBondContact O-CB 3.32Å; A345-L349 VanDerWaalsContact O-CG 3.24Å; A345-L349 WeakPolarHBondContact O-CG 3.23Å; A345-L349 PolarHBondContact O-N 2.91Å; W347-L349 VanDerWaalsContact C-N 3.33Å; W347-L349 PolarHBondContact O-N 3.03Å; L349-V433 HydrophobicContact CD1-CB 3.98Å; L349-V433 HydrophobicContact CD1-CG1 4.14Å; L349-V433 HydrophobicContact CD1-CG2 4.24Å; L349-E437 HydrophobicContact CB-CB 4.18Å; L349-E437 HydrophobicContact CD1-CB 4.4Å; L349-F438 HydrophobicContact CD1-CB 4.28Å; L349-F438 HydrophobicContact CD1-CD2 4.13Å; L349-F438 HydrophobicContact CD2-CD2 4.03Å; L349-V441 HydrophobicContact CB-CG2 4.48Å; L349-V441 HydrophobicContact CD2-CB 3.88Å; L349-V441 HydrophobicContact CD2-CG1 4.49Å; L349-V441 HydrophobicContact CD2-CG2 3.9Å; L349-V441 WeakPolarHBondContact O-CG2 3.39Å
350R91.7Very high91.2Very high54 Ų5434.4 Ų34.420%0.20420%0.196CC..Hα-helixtrans-85.9-21.5173.2-73.2173.3-178.5156.46.4112.5L60 N63 L346 W347 D348 P352 E437L60-R350 PolarHBondContact O-NH1 3.08Å; N63-R350 PolarHBondContact OD1-NE 3.35Å; N63-R350 PolarHBondContact OD1-NH1 2.91Å; L346-R350 VanDerWaalsContact O-CG 3.28Å; L346-R350 WeakPolarHBondContact O-CG 3.4Å; L346-R350 PolarHBondContact O-N 2.82Å; W347-R350 PolarHBondContact O-N 3.18Å; D348-R350 VanDerWaalsContact C-N 3.28Å; D348-R350 PolarHBondContact O-N 3.03Å; R350-P352 VanDerWaalsContact C-CD 3.42Å; R350-P352 WeakPolarHBondContact O-CD 3.17Å; R350-E437 IonicContact NH2-OE1 3.58Å
351H92.5Very high90.8Very high43 Ų4334.9 Ų34.920%0.19920%0.198CC..  trans-121.564.8178.9-56.489.2000111.1W347 D348 Q353 I354W347-H351 AromaticContact CD1-CE1 3.95Å; W347-H351 AromaticContact CD2-CE1 3.94Å; W347-H351 AromaticContact CD2-ND1 3.38Å; W347-H351 AromaticContact CE2-CE1 3.45Å; W347-H351 VanDerWaalsContact CE2-CE1 3.45Å; W347-H351 AromaticContact CE2-CG 3.96Å; W347-H351 AromaticContact CE2-ND1 3.3Å; W347-H351 VanDerWaalsContact CE2-ND1 3.3Å; W347-H351 HydrophobicContact CE3-CB 4.07Å; W347-H351 AromaticContact CE3-ND1 3.73Å; W347-H351 AromaticContact CG-ND1 3.87Å; W347-H351 HydrophobicContact CH2-CB 3.81Å; W347-H351 AromaticContact CH2-CG 3.72Å; W347-H351 AromaticContact CH2-ND1 3.91Å; W347-H351 HydrophobicContact CZ2-CB 4.34Å; W347-H351 AromaticContact CZ2-CE1 3.75Å; W347-H351 AromaticContact CZ2-CG 3.74Å; W347-H351 AromaticContact CZ2-ND1 3.57Å; W347-H351 HydrophobicContact CZ3-CB 3.65Å; W347-H351 AromaticContact CZ3-CG 3.91Å; W347-H351 AromaticContact CZ3-ND1 3.98Å; W347-H351 AromaticContact NE1-CE1 3.47Å; W347-H351 PolarHBondContact NE1-CE1 3.25Å; W347-H351 AromaticContact NE1-ND1 3.73Å; W347-H351 PolarHBondContact O-N 3.3Å; W347-H351 PolarHBondContact O-ND1 3.47Å; D348-H351 CarbonylContact O-C 3.52Å; D348-H351 VanDerWaalsContact O-C 3.22Å; D348-H351 PolarHBondContact O-N 2.78Å; H351-Q353 PolarHBondContact O-N 2.87Å; H351-I354 WeakPolarHBondContact O-CG2 3.44Å; H351-I354 PolarHBondContact O-N 3.29Å
352P91.7Very high90.2Very high43 Ų4342.5 Ų42.528%0.27923%0.231SC..THydrogen-bonded Turntrans-58.7-15.8-174.324.8-35.6000114.4R350 I354 Y355 V441R350-P352 VanDerWaalsContact C-CD 3.42Å; R350-P352 WeakPolarHBondContact O-CD 3.17Å; P352-I354 PolarHBondContact O-N 3.37Å; P352-I354 VanDerWaalsContact O-N 3.13Å; P352-Y355 PolarHBondContact O-N 2.85Å; P352-V441 HydrophobicContact CB-CG1 3.99Å; P352-V441 HydrophobicContact CB-CG2 3.91Å
353Q90.8Very high89.8Confident85 Ų8545.5 Ų45.540%0.39725%0.253SS..Hα-helixtrans-54.9-24.1169.6-56.783.3-4.900112.3H351 Y355 N356 S357 I361H351-Q353 PolarHBondContact O-N 2.87Å; Q353-Y355 PolarHBondContact O-N 3.38Å; Q353-N356 PolarHBondContact O-N 3.43Å; Q353-S357 CarbonylContact O-C 3.55Å; Q353-S357 WeakPolarHBondContact O-CA 2.92Å; Q353-S357 PolarHBondContact O-N 3.37Å; Q353-I361 HydrophobicContact CB-CD1 4.45Å; Q353-I361 HydrophobicContact CB-CG2 3.82Å; Q353-I361 HydrophobicContact CG-CG2 4.27Å
354I89.3Confident89.5Confident0 Ų047 Ų470%026%0.261CS..Hα-helixtrans-61-29.1177.6-163.2173.1000113.6W347 D348 H351 P352 I361 I365 I374W347-I354 HydrophobicContact CZ3-CD1 4.19Å; D348-I354 HydrophobicContact CB-CG2 4.06Å; D348-I354 WeakPolarHBondContact OD1-CD1 3.46Å; H351-I354 WeakPolarHBondContact O-CG2 3.44Å; H351-I354 PolarHBondContact O-N 3.29Å; P352-I354 PolarHBondContact O-N 3.37Å; P352-I354 VanDerWaalsContact O-N 3.13Å; I354-I361 HydrophobicContact CB-CD1 3.59Å; I354-I361 HydrophobicContact CG1-CD1 4.06Å; I354-I365 HydrophobicContact CD1-CD1 4.3Å; I354-I374 HydrophobicContact CG1-CG1 4.41Å
355Y87.2Confident89.1Confident47 Ų4747.4 Ų47.418%0.18426%0.263CS..Hα-helixtrans-84.4-32.1-178.8-63.1-75.6000112.8D348 P352 Q353 I374 L375 V441 H442D348-Y355 HydrophobicContact CB-CE2 4.21Å; P352-Y355 PolarHBondContact O-N 2.85Å; Q353-Y355 PolarHBondContact O-N 3.38Å; Y355-I374 HydrophobicContact CD1-CG2 3.67Å; Y355-I374 HydrophobicContact CE1-CG2 3.59Å; Y355-L375 WeakPolarHBondContact CE1-O 3.4Å; Y355-L375 PolarHBondContact OH-O 3.35Å; Y355-L375 VanDerWaalsContact OH-O 3.1Å; Y355-V441 HydrophobicContact CD2-CG1 3.7Å; Y355-V441 HydrophobicContact CE2-CG1 3.78Å; Y355-H442 AromaticContact CE2-NE2 3.83Å; Y355-H442 AromaticContact CZ-CE1 3.85Å; Y355-H442 AromaticContact CZ-NE2 3.7Å
356N86.1Confident88.5Confident140 Ų14051.7 Ų51.775%0.74929%0.286SS*.Hα-helixtrans-116.8-32.7-167.4-61.1-21.9000114.1Q353Q353-N356 PolarHBondContact O-N 3.43Å
357S87Confident87.9Confident53 Ų5352.9 Ų52.937%0.37129%0.29SS..  trans-145.566.5-175.7-57.60000111.8Q353 S359 C360Q353-S357 CarbonylContact O-C 3.55Å; Q353-S357 WeakPolarHBondContact O-CA 2.92Å; Q353-S357 PolarHBondContact O-N 3.37Å; S357-S359 PolarHBondContact O-N 2.93Å; S357-C360 WeakPolarHBondContact O-CB 3.36Å; S357-C360 PolarHBondContact O-N 3.13Å
358P81.5Confident87.2Confident42 Ų4260.8 Ų60.827%0.27333%0.327SS..G310 helixtrans-60.4-24-173.9-2030.1000114C360 I361 I369P358-C360 VanDerWaalsContact C-N 3.27Å; P358-C360 PolarHBondContact O-N 3.08Å; P358-I361 VanDerWaalsContact O-CG1 3.32Å; P358-I361 WeakPolarHBondContact O-CG1 3.37Å; P358-I361 PolarHBondContact O-N 3.44Å; P358-I369 HydrophobicContact CB-CB 4.35Å; P358-I369 HydrophobicContact CB-CD1 3.67Å; P358-I369 HydrophobicContact CB-CG2 4.14Å; P358-I369 HydrophobicContact CG-CG2 4.46Å
359S82.9Confident86.3Confident95 Ų9562.8 Ų62.866%0.66434%0.337SS*.G310 helixtrans-58.5-34.317548.20000113.3S357 I361 K362S357-S359 PolarHBondContact O-N 2.93Å; S359-I361 PolarHBondContact O-N 3.05Å; S359-K362 PolarHBondContact O-N 2.94Å
360C84.2Confident85.4Confident90 Ų9066.1 Ų66.161%0.60836%0.355SS*.G310 helixtrans-68-21.1-178.6-62.80000113.7S357 P358S357-C360 WeakPolarHBondContact O-CB 3.36Å; S357-C360 PolarHBondContact O-N 3.13Å; P358-C360 VanDerWaalsContact C-N 3.27Å; P358-C360 PolarHBondContact O-N 3.08Å
361I86Confident84.5Confident9 Ų969.5 Ų69.55%0.04638%0.377CS..G310 helixtrans-115.615.6-176.756.8170.8000112.6W347 Q353 I354 P358 S359 S363 L364 I365W347-I361 HydrophobicContact CH2-CD1 4.04Å; W347-I361 HydrophobicContact CZ3-CD1 4.15Å; Q353-I361 HydrophobicContact CB-CD1 4.45Å; Q353-I361 HydrophobicContact CB-CG2 3.82Å; Q353-I361 HydrophobicContact CG-CG2 4.27Å; I354-I361 HydrophobicContact CB-CD1 3.59Å; I354-I361 HydrophobicContact CG1-CD1 4.06Å; P358-I361 VanDerWaalsContact O-CG1 3.32Å; P358-I361 WeakPolarHBondContact O-CG1 3.37Å; P358-I361 PolarHBondContact O-N 3.44Å; S359-I361 PolarHBondContact O-N 3.05Å; I361-S363 PolarHBondContact O-N 3.41Å; I361-S363 VanDerWaalsContact O-N 3.14Å; I361-L364 HydrophobicContact CB-CD1 4.36Å; I361-L364 HydrophobicContact CG2-CD1 4.33Å; I361-L364 WeakPolarHBondContact O-CB 3.27Å; I361-L364 PolarHBondContact O-N 3.42Å; I361-I365 HydrophobicContact CD1-CD1 3.7Å; I361-I365 HydrophobicContact CG1-CD1 4.06Å
362K84Confident83.8Confident162 Ų16269.4 Ų69.470%0.70438%0.382SS*.G310 helixtrans-58.4-28-177.6-170.7177-179.4-178.10113.5S359 L364 I365S359-K362 PolarHBondContact O-N 2.94Å; K362-L364 VanDerWaalsContact C-N 3.26Å; K362-L364 PolarHBondContact O-N 3.33Å; K362-I365 PolarHBondContact O-N 3.42Å
363S86.2Confident83.3Confident85 Ų8567.5 Ų67.559%0.59437%0.369SS*.G310 helixtrans-66.6-26.2173.252.50000113.4Q312 I361Q312-S363 PolarHBondContact NE2-O 2.69Å; I361-S363 PolarHBondContact O-N 3.41Å; I361-S363 VanDerWaalsContact O-N 3.14Å
364L89.5Confident83.1Confident33 Ų3364.2 Ų64.217%0.17335%0.354CS..G310 helixtrans-91.6-0.3-178.2-50.2179.5000113.1Q312 K314 R315 W347 I361 K362Q312-L364 HydrophobicContact CG-CD2 3.71Å; K314-L364 CarbonylContact C-O 3.29Å; K314-L364 VanDerWaalsContact CA-O 3.23Å; K314-L364 WeakPolarHBondContact CA-O 3.31Å; K314-L364 VanDerWaalsContact CB-O 3.31Å; K314-L364 WeakPolarHBondContact CB-O 3.3Å; R315-L364 PolarHBondContact N-O 3.18Å; W347-L364 HydrophobicContact CH2-CB 4.15Å; W347-L364 HydrophobicContact CH2-CD1 4.41Å; W347-L364 HydrophobicContact CZ2-CB 3.76Å; W347-L364 HydrophobicContact CZ2-CD1 4.02Å; I361-L364 HydrophobicContact CB-CD1 4.36Å; I361-L364 HydrophobicContact CG2-CD1 4.33Å; I361-L364 WeakPolarHBondContact O-CB 3.27Å; I361-L364 PolarHBondContact O-N 3.42Å; K362-L364 VanDerWaalsContact C-N 3.26Å; K362-L364 PolarHBondContact O-N 3.33Å
365I86.9Confident83.2Confident7 Ų764.2 Ų64.24%0.03635%0.354CS..  trans-134108.9-172-56.1-177.5000109.7R315 W347 I354 I361 K362 Y367 I369R315-I365 HydrophobicContact CB-CD1 4.3Å; R315-I365 HydrophobicContact CB-CG1 3.85Å; W347-I365 HydrophobicContact CH2-CD1 3.9Å; W347-I365 HydrophobicContact CH2-CG1 4Å; W347-I365 HydrophobicContact CZ3-CD1 4.09Å; I354-I365 HydrophobicContact CD1-CD1 4.3Å; I361-I365 HydrophobicContact CD1-CD1 3.7Å; I361-I365 HydrophobicContact CG1-CD1 4.06Å; K362-I365 PolarHBondContact O-N 3.42Å; I365-Y367 HydrophobicContact CG2-CD1 3.99Å; I365-Y367 HydrophobicContact CG2-CD2 3.58Å; I365-Y367 HydrophobicContact CG2-CE1 3.94Å; I365-Y367 HydrophobicContact CG2-CE2 3.53Å; I365-Y367 HydrophobicContact CG2-CG 3.83Å; I365-Y367 WeakPolarHBondContact CG2-O 3.22Å; I365-Y367 PolarHBondContact O-N 3.37Å; I365-I369 HydrophobicContact CB-CD1 4.24Å; I365-I369 HydrophobicContact CD1-CD1 3.42Å; I365-I369 VanDerWaalsContact CD1-CD1 3.42Å; I365-I369 HydrophobicContact CD1-CG1 4.09Å; I365-I369 HydrophobicContact CG1-CD1 4.35Å; I365-I369 HydrophobicContact CG2-CD1 4.12Å; I365-I369 HydrophobicContact CG2-CG1 3.86Å
366D83.3Confident83.4Confident91 Ų9165 Ų6549%0.48736%0.358SS..SBendtrans-75.217.8-175.3-72.3-21.9000114.4K314K314-D366 WeakPolarHBondContact CD-OD1 3.2Å; K314-D366 VanDerWaalsContact CD-OD2 3.26Å; K314-D366 WeakPolarHBondContact CD-OD2 3.19Å; K314-D366 IonicContact NZ-OD1 3.31Å; K314-D366 PolarHBondContact NZ-OD1 2.86Å; K314-D366 IonicContact NZ-OD2 2.71Å; K314-D366 PolarHBondContact NZ-OD2 2.92Å
367Y82.1Confident83.9Confident32 Ų3259.1 Ų59.113%0.12533%0.328CS..SBendtrans-155.3159.2-170.751.6-99.9000112.4R315 P316 D317 R319 I365 I369 V373R315-Y367 WeakPolarHBondContact CD-OH 3.44Å; R315-Y367 PolarHBondContact NH1-OH 3.44Å; P316-Y367 PolarHBondContact O-OH 3.04Å; P316-Y367 VanDerWaalsContact O-OH 3.14Å; D317-Y367 HydrophobicContact CB-CD1 4.34Å; D317-Y367 HydrophobicContact CB-CE1 3.73Å; D317-Y367 WeakPolarHBondContact OD2-CD1 3.36Å; R319-Y367 VanDerWaalsContact NH2-CD1 3.26Å; I365-Y367 HydrophobicContact CG2-CD1 3.99Å; I365-Y367 HydrophobicContact CG2-CD2 3.58Å; I365-Y367 HydrophobicContact CG2-CE1 3.94Å; I365-Y367 HydrophobicContact CG2-CE2 3.53Å; I365-Y367 HydrophobicContact CG2-CG 3.83Å; I365-Y367 WeakPolarHBondContact CG2-O 3.22Å; I365-Y367 PolarHBondContact O-N 3.37Å; Y367-I369 PolarHBondContact O-N 3.47Å; Y367-V373 HydrophobicContact CD2-CG1 4.27Å; Y367-V373 HydrophobicContact CE2-CG1 3.58Å
368Q79.1Confident84.3Confident165 Ų16560.4 Ų60.477%0.77133%0.33SS*.  trans-65.5132.1174.8-172.3166.2-4.200110.6
369I75.8Confident85Confident42 Ų4264.3 Ų64.322%0.21534%0.339CS..  trans-95.8128177.5-55161.1000107.4P358 I365 Y367 I374P358-I369 HydrophobicContact CB-CB 4.35Å; P358-I369 HydrophobicContact CB-CD1 3.67Å; P358-I369 HydrophobicContact CB-CG2 4.14Å; P358-I369 HydrophobicContact CG-CG2 4.46Å; I365-I369 HydrophobicContact CB-CD1 4.24Å; I365-I369 HydrophobicContact CD1-CD1 3.42Å; I365-I369 VanDerWaalsContact CD1-CD1 3.42Å; I365-I369 HydrophobicContact CD1-CG1 4.09Å; I365-I369 HydrophobicContact CG1-CD1 4.35Å; I365-I369 HydrophobicContact CG2-CD1 4.12Å; I365-I369 HydrophobicContact CG2-CG1 3.86Å; Y367-I369 PolarHBondContact O-N 3.47Å; I369-I374 HydrophobicContact CG2-CD1 3.93Å; I369-I374 HydrophobicContact CG2-CG1 3.83Å
370D75.4Confident85.7Confident71 Ų7160.1 Ų60.138%0.3831%0.31SS..  trans-141.2176.117165.848.9000110.1S372 V373 I374D370-S372 PolarHBondContact O-N 3.38Å; D370-S372 VanDerWaalsContact O-N 3.09Å; D370-S372 WeakPolarHBondContact OD1-CA 3.4Å; D370-S372 WeakPolarHBondContact OD1-CB 3.28Å; D370-S372 PolarHBondContact OD1-N 2.87Å; D370-S372 PolarHBondContact OD1-OG 3.31Å; D370-V373 PolarHBondContact O-N 2.86Å; D370-V373 PolarHBondContact OD1-N 3.03Å; D370-I374 PolarHBondContact O-N 3.08Å
371N73Confident86.3Confident124 Ų12458.1 Ų58.166%0.66330%0.295SS*.THydrogen-bonded Turntrans-62.3-13.9-177.7-83.2-26.6000115.1K376N371-K376 PolarHBondContact O-NZ 2.75Å
372S77Confident86.7Confident42 Ų4262.5 Ų62.529%0.29431%0.313SS..THydrogen-bonded Turntrans-87.5-14.8176.579.90000113.3D370 G400D370-S372 PolarHBondContact O-N 3.38Å; D370-S372 VanDerWaalsContact O-N 3.09Å; D370-S372 WeakPolarHBondContact OD1-CA 3.4Å; D370-S372 WeakPolarHBondContact OD1-CB 3.28Å; D370-S372 PolarHBondContact OD1-N 2.87Å; D370-S372 PolarHBondContact OD1-OG 3.31Å; S372-G400 PolarHBondContact O-N 3.1Å
373V82.5Confident87.3Confident2 Ų260 Ų601%0.01230%0.302CS..THydrogen-bonded Turntrans-109.6-15.2-174-170.80000113.6R315 Y367 D370 F401R315-V373 PolarHBondContact NH1-O 3.46Å; R315-V373 PolarHBondContact NH2-O 2.68Å; Y367-V373 HydrophobicContact CD2-CG1 4.27Å; Y367-V373 HydrophobicContact CE2-CG1 3.58Å; D370-V373 PolarHBondContact O-N 2.86Å; D370-V373 PolarHBondContact OD1-N 3.03Å; V373-F401 HydrophobicContact CB-CE1 4.19Å; V373-F401 HydrophobicContact CG1-CE1 4.08Å; V373-F401 HydrophobicContact CG2-CD1 3.98Å; V373-F401 HydrophobicContact CG2-CE1 3.91Å
374I86.2Confident87.8Confident16 Ų1660.9 Ų60.98%0.08229%0.292CS..SBendtrans-80.1129.1172.1-61.8171.7000109.1I354 Y355 I369 D370 K376I354-I374 HydrophobicContact CG1-CG1 4.41Å; Y355-I374 HydrophobicContact CD1-CG2 3.67Å; Y355-I374 HydrophobicContact CE1-CG2 3.59Å; I369-I374 HydrophobicContact CG2-CD1 3.93Å; I369-I374 HydrophobicContact CG2-CG1 3.83Å; D370-I374 PolarHBondContact O-N 3.08Å; I374-K376 HydrophobicContact CG2-CG 4.3Å; I374-K376 PolarHBondContact O-N 3.1Å
375L91.2Very high87.8Confident0 Ų065 Ų650%031%0.314CS..  trans-85.6108.1179-172.684.9000110.1M344 A345 Y355 W396 L399 Y429 F431M344-L375 HydrophobicContact CE-CB 3.78Å; M344-L375 HydrophobicContact CE-CD1 4.23Å; M344-L375 HydrophobicContact CE-CD2 4.49Å; M344-L375 HydrophobicContact CE-CG 4.38Å; A345-L375 HydrophobicContact CB-CD2 3.56Å; Y355-L375 WeakPolarHBondContact CE1-O 3.4Å; Y355-L375 PolarHBondContact OH-O 3.35Å; Y355-L375 VanDerWaalsContact OH-O 3.1Å; L375-W396 HydrophobicContact CD1-CB 4.28Å; L375-W396 HydrophobicContact CD2-CD2 3.71Å; L375-W396 HydrophobicContact CD2-CE3 3.39Å; L375-W396 HydrophobicContact CD2-CG 4.29Å; L375-W396 HydrophobicContact CD2-CH2 4.28Å; L375-W396 HydrophobicContact CD2-CZ3 3.69Å; L375-W396 HydrophobicContact CG-CB 4.39Å; L375-W396 HydrophobicContact CG-CD2 4.11Å; L375-W396 HydrophobicContact CG-CE3 3.58Å; L375-W396 HydrophobicContact CG-CG 4.47Å; L375-W396 HydrophobicContact CG-CZ3 4.17Å; L375-L399 HydrophobicContact CB-CD2 4.44Å; L375-L399 HydrophobicContact CD1-CD1 4.38Å; L375-L399 HydrophobicContact CD1-CD2 4.18Å; L375-L399 HydrophobicContact CD1-CG 4.21Å; L375-Y429 HydrophobicContact CD1-CD2 4.15Å; L375-Y429 HydrophobicContact CD1-CE2 4.37Å; L375-F431 HydrophobicContact CD2-CZ 3.76Å
376K92.2Very high87.7Confident64 Ų6466.4 Ų66.428%0.27832%0.322SS..  trans-98.2126-175-68.9152.8173.7169.20111.7N371 I374 W396 E397N371-K376 PolarHBondContact O-NZ 2.75Å; I374-K376 HydrophobicContact CG2-CG 4.3Å; I374-K376 PolarHBondContact O-N 3.1Å; K376-W396 WeakPolarHBondContact O-CA 3.36Å; K376-E397 HydrophobicContact CB-CB 4.13Å; K376-E397 WeakPolarHBondContact CD-OE2 3.39Å; K376-E397 IonicContact NZ-OE2 3.15Å; K376-E397 PolarHBondContact O-N 3.1Å
377P96Very high87.5Confident16 Ų1666.7 Ų66.710%0.10432%0.324CS..EExtended strand (participates in β ladder)trans-77.6130.5172.329.1-30.1000110.6V394 W396 F438 I445P377-V394 HydrophobicContact CB-CG1 3.65Å; P377-W396 HydrophobicContact CB-CD2 4.31Å; P377-W396 HydrophobicContact CB-CE3 3.71Å; P377-W396 HydrophobicContact CB-CH2 4.27Å; P377-W396 HydrophobicContact CB-CZ3 3.71Å; P377-W396 HydrophobicContact CG-CE3 4.29Å; P377-W396 HydrophobicContact CG-CZ3 3.95Å; P377-F438 HydrophobicContact CB-CE2 3.74Å; P377-F438 HydrophobicContact CB-CZ 3.76Å; P377-F438 HydrophobicContact CG-CE2 3.94Å; P377-F438 HydrophobicContact CG-CZ 4.05Å; P377-I445 HydrophobicContact CB-CD1 4.06Å; P377-I445 HydrophobicContact CG-CD1 3.79Å; P377-I445 WeakPolarHBondContact O-CD1 3.37Å
378L95.3Very high87.4Confident81 Ų8175.9 Ų75.942%0.42436%0.36SS..EExtended strand (participates in β ladder)trans-88-48.5177.2-63176.5000111.1E395 E397 N428L378-E395 HydrophobicContact CB-CG 4.5Å; L378-E395 HydrophobicContact CD1-CG 4.3Å; L378-E395 PolarHBondContact N-O 3.28Å; L378-E397 HydrophobicContact CD1-CB 4.35Å; L378-E397 HydrophobicContact CD2-CB 4.08Å; L378-E397 HydrophobicContact CG-CB 4.17Å; L378-N428 WeakPolarHBondContact CD1-ND2 3.36Å
379R96.4Very high87.7Confident123 Ų12369.7 Ų69.746%0.46433%0.333SS..EExtended strand (participates in β ladder)trans-162.7158.6177.460.5179.2179.9110.311.2112.6E395R379-E395 HydrophobicContact CG-CB 4.14Å; R379-E395 IonicContact CZ-OE2 3.06Å; R379-E395 PolarHBondContact N-O 3.23Å; R379-E395 IonicContact NE-OE2 2.68Å; R379-E395 PolarHBondContact NE-OE2 3.01Å; R379-E395 IonicContact NH2-OE2 2.68Å; R379-E395 PolarHBondContact NH2-OE2 3.42Å; R379-E395 PolarHBondContact O-N 3.16Å
380I97.9Very high88.6Confident8 Ų872.6 Ų72.64%0.04135%0.349CS..EExtended strand (participates in β ladder)trans-76.8129.1163.9-63.9159.6000108.7Y392 V394 F438 I445 C446 F449I380-Y392 HydrophobicContact CB-CD1 4.45Å; I380-Y392 HydrophobicContact CD1-CD1 3.88Å; I380-Y392 HydrophobicContact CD1-CD2 3.85Å; I380-Y392 HydrophobicContact CD1-CE1 3.91Å; I380-Y392 HydrophobicContact CD1-CE2 3.9Å; I380-Y392 HydrophobicContact CD1-CG 3.85Å; I380-Y392 HydrophobicContact CG1-CD1 4.17Å; I380-Y392 HydrophobicContact CG1-CD2 4.3Å; I380-Y392 HydrophobicContact CG1-CG 3.96Å; I380-Y392 HydrophobicContact CG2-CD1 3.46Å; I380-Y392 VanDerWaalsContact CG2-CD1 3.46Å; I380-Y392 HydrophobicContact CG2-CE1 4.15Å; I380-Y392 HydrophobicContact CG2-CG 3.94Å; I380-V394 HydrophobicContact CG1-CG2 4.2Å; I380-F438 HydrophobicContact CD1-CD1 4.29Å; I380-F438 HydrophobicContact CD1-CE1 3.9Å; I380-F438 HydrophobicContact CG1-CD1 4.45Å; I380-F438 HydrophobicContact CG1-CE1 3.83Å; I380-F438 HydrophobicContact CG1-CZ 4.5Å; I380-I445 HydrophobicContact CD1-CG2 4.28Å; I380-I445 HydrophobicContact CG1-CG2 4.1Å; I380-C446 HydrophobicContact CD1-CB 4.47Å; I380-F449 HydrophobicContact CB-CB 3.94Å; I380-F449 HydrophobicContact CB-CD1 4.22Å; I380-F449 HydrophobicContact CB-CD2 3.64Å; I380-F449 HydrophobicContact CB-CE2 4.21Å; I380-F449 HydrophobicContact CB-CG 3.65Å; I380-F449 HydrophobicContact CD1-CB 3.83Å; I380-F449 HydrophobicContact CD1-CD1 4.16Å; I380-F449 HydrophobicContact CD1-CG 4.05Å; I380-F449 HydrophobicContact CG1-CB 4.44Å; I380-F449 HydrophobicContact CG1-CG 4.47Å; I380-F449 HydrophobicContact CG2-CB 4.44Å; I380-F449 HydrophobicContact CG2-CD1 3.78Å; I380-F449 HydrophobicContact CG2-CD2 3.52Å; I380-F449 HydrophobicContact CG2-CE1 3.84Å; I380-F449 HydrophobicContact CG2-CE2 3.58Å; I380-F449 HydrophobicContact CG2-CG 3.63Å; I380-F449 HydrophobicContact CG2-CZ 3.76Å; I380-F449 WeakPolarHBondContact O-CD2 3.26Å
381V96.1Very high89.6Confident48 Ų4869.5 Ų69.529%0.29133%0.333SS..EExtended strand (participates in β ladder)trans-84.9-50.7176-178.80000110.5E393 E395 Y430V381-E393 HydrophobicContact CB-CG 4.35Å; V381-E393 PolarHBondContact N-O 3.32Å; V381-E395 HydrophobicContact CG2-CB 3.95Å; V381-Y430 HydrophobicContact CG2-CD1 4.04Å; V381-Y430 HydrophobicContact CG2-CE1 4Å
382K95.7Very high90.8Very high100 Ų10063.6 Ų63.644%0.43530%0.301SS..EExtended strand (participates in β ladder)trans-162.4162.6176.555.4-176.3169.2-175.80112.9R384 E393K382-R384 HydrophobicContact CG-CG 4.46Å; K382-E393 WeakPolarHBondContact CE-OE2 3.23Å; K382-E393 HydrophobicContact CG-CB 4.25Å; K382-E393 WeakPolarHBondContact CG-OE2 3.36Å; K382-E393 PolarHBondContact N-O 3.36Å; K382-E393 IonicContact NZ-OE2 3.83Å; K382-E393 PolarHBondContact O-N 3.02Å
383K96.7Very high91.8Very high110 Ų11062.7 Ų62.748%0.47829%0.293SS..EExtended strand (participates in β ladder)trans-72.8142.4165.6-64.1-170.6174.6-170.70109.8Y392 F449 E450K383-Y392 HydrophobicContact CD-CE1 4.37Å; K383-Y392 HydrophobicContact CG-CD1 4.07Å; K383-Y392 HydrophobicContact CG-CE1 3.83Å; K383-F449 HydrophobicContact CG-CE1 3.96Å; K383-F449 HydrophobicContact CG-CZ 4.39Å; K383-E450 IonicContact NZ-OE1 3.86Å; K383-E450 PolarHBondContact NZ-OE1 3.42Å
384R94.9Very high92.5Very high103 Ų10362.6 Ų62.639%0.38929%0.292SS..EExtended strand (participates in β ladder)trans-138.6161.9172.6-69.2-166.7179.4-127.316.9109.6K382 V386 S391 E393K382-R384 HydrophobicContact CG-CG 4.46Å; R384-V386 HydrophobicContact CB-CG2 4.29Å; R384-S391 PolarHBondContact N-O 3.24Å; R384-S391 PolarHBondContact O-N 3.07Å; R384-E393 HydrophobicContact CG-CB 4.33Å; R384-E393 IonicContact CZ-OE1 2.65Å; R384-E393 IonicContact CZ-OE2 3.23Å; R384-E393 VanDerWaalsContact CZ-OE2 3.23Å; R384-E393 IonicContact NE-OE1 2.81Å; R384-E393 PolarHBondContact NE-OE1 2.82Å; R384-E393 IonicContact NE-OE2 2.77Å; R384-E393 PolarHBondContact NE-OE2 3.43Å; R384-E393 IonicContact NH2-OE1 3.11Å; R384-E393 PolarHBondContact NH2-OE1 2.94Å; R384-E393 IonicContact NH2-OE2 2.87Å; R384-E393 PolarHBondContact NH2-OE2 3.38Å
385I91Very high93Very high121 Ų12162.6 Ų62.662%0.62129%0.292SS*.EExtended strand (participates in β ladder)trans-113123.5164.7-59.5174.5000106.1
386V84.9Confident93.2Very high35 Ų3562.6 Ų62.621%0.21229%0.292CS..EExtended strand (participates in β ladder)trans-125.4117.8-178.7-178.30000107.6R384 Y388 V389R384-V386 HydrophobicContact CB-CG2 4.29Å; V386-Y388 VanDerWaalsContact C-N 3.25Å; V386-Y388 PolarHBondContact O-N 2.82Å; V386-V389 PolarHBondContact N-O 3.24Å; V386-V389 WeakPolarHBondContact O-CB 3.38Å; V386-V389 PolarHBondContact O-N 3.28Å
387N77.6Confident93.2Very high98 Ų9863.3 Ų63.352%0.52430%0.296SS..THydrogen-bonded Turntrans49.644.8-176.2-59.3-2000113.1V389N387-V389 PolarHBondContact O-N 3.05Å
388Y81.6Confident92.8Very high224 Ų22464.7 Ų64.788%0.87830%0.299SS*.THydrogen-bonded Turntrans65.113-175.9-47.3-82.4000115.8V386V386-Y388 VanDerWaalsContact C-N 3.25Å; V386-Y388 PolarHBondContact O-N 2.82Å
389V85.6Confident92.6Very high36 Ų3661.1 Ų61.122%0.21828%0.28CS..EExtended strand (participates in β ladder)trans-105.4124.9175-175.10000110.4V386 N387 S391 P434V386-V389 PolarHBondContact N-O 3.24Å; V386-V389 WeakPolarHBondContact O-CB 3.38Å; V386-V389 PolarHBondContact O-N 3.28Å; N387-V389 PolarHBondContact O-N 3.05Å; V389-S391 PolarHBondContact O-N 2.88Å; V389-S391 PolarHBondContact O-OG 2.95Å; V389-P434 HydrophobicContact CG1-CB 4.18Å
390D94.2Very high91.9Very high103 Ų10358 Ų5855%0.55129%0.287SS*.EExtended strand (participates in β ladder)trans-58.9122.5171.1-73.6-36.2000109.9Q435D390-Q435 HydrophobicContact CB-CB 4.39Å; D390-Q435 WeakPolarHBondContact O-CB 3.39Å; D390-Q435 PolarHBondContact O-N 3.43Å
391S96.1Very high91Very high5 Ų559.2 Ų59.24%0.03529%0.292CS..EExtended strand (participates in β ladder)trans-136.3152.6-169.3-59.70000111.2R384 V389 V433R384-S391 PolarHBondContact N-O 3.24Å; R384-S391 PolarHBondContact O-N 3.07Å; V389-S391 PolarHBondContact O-N 2.88Å; V389-S391 PolarHBondContact O-OG 2.95Å; S391-V433 CarbonylContact C-O 3.53Å; S391-V433 VanDerWaalsContact CA-O 3.23Å; S391-V433 WeakPolarHBondContact CA-O 3.34Å; S391-V433 WeakPolarHBondContact CB-O 3.5Å
392Y97.7Very high90.2Very high0 Ų057 Ų570%028%0.279CS..EExtended strand (participates in β ladder)trans-100.5132.8164.1-67.6-58.3000109.5I380 K383 S432 V433 Q435 F438 R439 F449 E450I380-Y392 HydrophobicContact CB-CD1 4.45Å; I380-Y392 HydrophobicContact CD1-CD1 3.88Å; I380-Y392 HydrophobicContact CD1-CD2 3.85Å; I380-Y392 HydrophobicContact CD1-CE1 3.91Å; I380-Y392 HydrophobicContact CD1-CE2 3.9Å; I380-Y392 HydrophobicContact CD1-CG 3.85Å; I380-Y392 HydrophobicContact CG1-CD1 4.17Å; I380-Y392 HydrophobicContact CG1-CD2 4.3Å; I380-Y392 HydrophobicContact CG1-CG 3.96Å; I380-Y392 HydrophobicContact CG2-CD1 3.46Å; I380-Y392 VanDerWaalsContact CG2-CD1 3.46Å; I380-Y392 HydrophobicContact CG2-CE1 4.15Å; I380-Y392 HydrophobicContact CG2-CG 3.94Å; K383-Y392 HydrophobicContact CD-CE1 4.37Å; K383-Y392 HydrophobicContact CG-CD1 4.07Å; K383-Y392 HydrophobicContact CG-CE1 3.83Å; Y392-S432 CarbonylContact O-C 3.45Å; Y392-S432 VanDerWaalsContact O-CA 3.23Å; Y392-S432 WeakPolarHBondContact O-CA 3.39Å; Y392-V433 PolarHBondContact N-O 2.87Å; Y392-V433 PolarHBondContact O-N 3.38Å; Y392-Q435 HydrophobicContact CD2-CB 4.09Å; Y392-Q435 HydrophobicContact CD2-CG 4.25Å; Y392-Q435 HydrophobicContact CE2-CB 3.9Å; Y392-Q435 HydrophobicContact CE2-CG 3.54Å; Y392-F438 HydrophobicContact CD2-CB 4.26Å; Y392-F438 AromaticContact CD2-CD1 3.77Å; Y392-F438 HydrophobicContact CD2-CD1 3.77Å; Y392-F438 HydrophobicContact CD2-CG 4.31Å; Y392-F438 HydrophobicContact CE2-CD1 4.28Å; Y392-R439 PolarHBondContact OH-NH2 3.05Å; Y392-F449 HydrophobicContact CD1-CE1 4.48Å; Y392-F449 HydrophobicContact CE1-CD1 4.09Å; Y392-F449 HydrophobicContact CE1-CE1 4.05Å; Y392-E450 PolarHBondContact OH-OE1 2.73Å
393E97.3Very high89.1Confident24 Ų2459.3 Ų59.311%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-79.5122.5156.4-177.2170.2-135.400108V381 K382 R384V381-E393 HydrophobicContact CB-CG 4.35Å; V381-E393 PolarHBondContact N-O 3.32Å; K382-E393 WeakPolarHBondContact CE-OE2 3.23Å; K382-E393 HydrophobicContact CG-CB 4.25Å; K382-E393 WeakPolarHBondContact CG-OE2 3.36Å; K382-E393 PolarHBondContact N-O 3.36Å; K382-E393 IonicContact NZ-OE2 3.83Å; K382-E393 PolarHBondContact O-N 3.02Å; R384-E393 HydrophobicContact CG-CB 4.33Å; R384-E393 IonicContact CZ-OE1 2.65Å; R384-E393 IonicContact CZ-OE2 3.23Å; R384-E393 VanDerWaalsContact CZ-OE2 3.23Å; R384-E393 IonicContact NE-OE1 2.81Å; R384-E393 PolarHBondContact NE-OE1 2.82Å; R384-E393 IonicContact NE-OE2 2.77Å; R384-E393 PolarHBondContact NE-OE2 3.43Å; R384-E393 IonicContact NH2-OE1 3.11Å; R384-E393 PolarHBondContact NH2-OE1 2.94Å; R384-E393 IonicContact NH2-OE2 2.87Å; R384-E393 PolarHBondContact NH2-OE2 3.38Å
394V97.7Very high87.7Confident0 Ų057.3 Ų57.30%028%0.278CS..EExtended strand (participates in β ladder)trans-119.2138.9-172.2176.80000108.5P377 I380 W396 F431 V433 F438P377-V394 HydrophobicContact CB-CG1 3.65Å; I380-V394 HydrophobicContact CG1-CG2 4.2Å; V394-W396 HydrophobicContact CB-CZ2 4Å; V394-W396 HydrophobicContact CG1-CD2 3.9Å; V394-W396 HydrophobicContact CG1-CG 4.24Å; V394-W396 HydrophobicContact CG1-CZ2 3.85Å; V394-W396 HydrophobicContact CG2-CZ2 4.49Å; V394-W396 PolarHBondContact O-NE1 2.83Å; V394-F431 PolarHBondContact N-O 3.48Å; V394-F431 PolarHBondContact O-N 3.29Å; V394-V433 HydrophobicContact CG2-CG2 3.87Å; V394-F438 HydrophobicContact CG1-CE2 4.07Å; V394-F438 HydrophobicContact CG1-CZ 4.1Å; V394-F438 HydrophobicContact CG2-CD2 4.27Å; V394-F438 HydrophobicContact CG2-CE1 4.32Å; V394-F438 HydrophobicContact CG2-CE2 3.93Å; V394-F438 HydrophobicContact CG2-CZ 3.96Å
395E96.8Very high86Confident15 Ų1554.2 Ų54.27%0.0727%0.272CS..EExtended strand (participates in β ladder)trans-87.7125.5166.4-178.2178.8174.200108.1L378 R379 V381 N428 Y429 Y430L378-E395 HydrophobicContact CB-CG 4.5Å; L378-E395 HydrophobicContact CD1-CG 4.3Å; L378-E395 PolarHBondContact N-O 3.28Å; R379-E395 HydrophobicContact CG-CB 4.14Å; R379-E395 IonicContact CZ-OE2 3.06Å; R379-E395 PolarHBondContact N-O 3.23Å; R379-E395 IonicContact NE-OE2 2.68Å; R379-E395 PolarHBondContact NE-OE2 3.01Å; R379-E395 IonicContact NH2-OE2 2.68Å; R379-E395 PolarHBondContact NH2-OE2 3.42Å; R379-E395 PolarHBondContact O-N 3.16Å; V381-E395 HydrophobicContact CG2-CB 3.95Å; E395-N428 HydrophobicContact CG-CB 3.85Å; E395-N428 PolarHBondContact OE1-ND2 2.86Å; E395-Y429 WeakPolarHBondContact CA-O 3.33Å; E395-Y430 HydrophobicContact CB-CD1 4.18Å; E395-Y430 HydrophobicContact CB-CE1 3.72Å; E395-Y430 HydrophobicContact CG-CD1 4.41Å; E395-Y430 HydrophobicContact CG-CE1 3.66Å; E395-Y430 HydrophobicContact CG-CE2 4.45Å; E395-Y430 PolarHBondContact OE1-OH 2.63Å
396W95.1Very high84.4Confident0 Ų053.6 Ų53.60%027%0.266CS..EExtended strand (participates in β ladder)trans-115.7141.1-177.2-54.383.2000110.8A345 L375 K376 P377 V394 N428 Y429 F431 V433 F438A345-W396 HydrophobicContact CB-CH2 4.11Å; A345-W396 HydrophobicContact CB-CZ2 4.18Å; L375-W396 HydrophobicContact CD1-CB 4.28Å; L375-W396 HydrophobicContact CD2-CD2 3.71Å; L375-W396 HydrophobicContact CD2-CE3 3.39Å; L375-W396 HydrophobicContact CD2-CG 4.29Å; L375-W396 HydrophobicContact CD2-CH2 4.28Å; L375-W396 HydrophobicContact CD2-CZ3 3.69Å; L375-W396 HydrophobicContact CG-CB 4.39Å; L375-W396 HydrophobicContact CG-CD2 4.11Å; L375-W396 HydrophobicContact CG-CE3 3.58Å; L375-W396 HydrophobicContact CG-CG 4.47Å; L375-W396 HydrophobicContact CG-CZ3 4.17Å; K376-W396 WeakPolarHBondContact O-CA 3.36Å; P377-W396 HydrophobicContact CB-CD2 4.31Å; P377-W396 HydrophobicContact CB-CE3 3.71Å; P377-W396 HydrophobicContact CB-CH2 4.27Å; P377-W396 HydrophobicContact CB-CZ3 3.71Å; P377-W396 HydrophobicContact CG-CE3 4.29Å; P377-W396 HydrophobicContact CG-CZ3 3.95Å; V394-W396 HydrophobicContact CB-CZ2 4Å; V394-W396 HydrophobicContact CG1-CD2 3.9Å; V394-W396 HydrophobicContact CG1-CG 4.24Å; V394-W396 HydrophobicContact CG1-CZ2 3.85Å; V394-W396 HydrophobicContact CG2-CZ2 4.49Å; V394-W396 PolarHBondContact O-NE1 2.83Å; W396-N428 WeakPolarHBondContact O-CB 3.49Å; W396-Y429 HydrophobicContact CB-CD2 4.46Å; W396-Y429 PolarHBondContact N-O 3.03Å; W396-Y429 PolarHBondContact O-N 3.21Å; W396-F431 AromaticContact CD1-CD1 3.9Å; W396-F431 AromaticContact CD1-CE1 3.57Å; W396-F431 AromaticContact CD1-CZ 3.68Å; W396-F431 HydrophobicContact CD2-CE2 4.48Å; W396-F431 HydrophobicContact CD2-CZ 4.1Å; W396-F431 AromaticContact CE2-CE2 3.64Å; W396-F431 AromaticContact CE2-CZ 3.7Å; W396-F431 HydrophobicContact CG-CE1 4.12Å; W396-F431 HydrophobicContact CG-CZ 4.08Å; W396-F431 AromaticContact CZ2-CE2 3.9Å; W396-F431 HydrophobicContact CZ2-CE2 3.9Å; W396-F431 HydrophobicContact CZ2-CZ 4.29Å; W396-F431 AromaticContact NE1-CD2 3.66Å; W396-F431 AromaticContact NE1-CE1 3.74Å; W396-F431 AromaticContact NE1-CE2 3.34Å; W396-F431 VanDerWaalsContact NE1-CE2 3.34Å; W396-F431 AromaticContact NE1-CG 4Å; W396-F431 AromaticContact NE1-CZ 3.41Å; W396-V433 HydrophobicContact CH2-CG1 4.49Å; W396-V433 HydrophobicContact CZ2-CG1 3.79Å; W396-V433 HydrophobicContact CZ2-CG2 3.98Å; W396-F438 HydrophobicContact CH2-CD2 4.2Å; W396-F438 AromaticContact CH2-CE2 3.88Å; W396-F438 HydrophobicContact CH2-CE2 3.88Å; W396-F438 HydrophobicContact CZ2-CE2 4.25Å
397E92Very high82.8Confident80 Ų8058.9 Ų58.937%0.37429%0.289SS..PPolyproline II helixtrans-59.3140170.1-167.3175.9-152.900109.7K376 L378K376-E397 HydrophobicContact CB-CB 4.13Å; K376-E397 WeakPolarHBondContact CD-OE2 3.39Å; K376-E397 IonicContact NZ-OE2 3.15Å; K376-E397 PolarHBondContact O-N 3.1Å; L378-E397 HydrophobicContact CD1-CB 4.35Å; L378-E397 HydrophobicContact CD2-CB 4.08Å; L378-E397 HydrophobicContact CG-CB 4.17Å
398R89.2Confident81.4Confident45 Ų4560.3 Ų60.317%0.1729%0.29CS..PPolyproline II helixtrans-71.3140.5-179.7-161.4178.5179.6-129-2.5110.7D402 S405 E406 C427 Y429R398-D402 HydrophobicContact CG-CB 4.47Å; R398-D402 IonicContact NE-OD2 2.73Å; R398-D402 PolarHBondContact NH1-O 2.87Å; R398-D402 PolarHBondContact NH2-O 3.14Å; R398-D402 IonicContact NH2-OD1 2.77Å; R398-D402 IonicContact NH2-OD2 3.4Å; R398-S405 PolarHBondContact NE-OG 3.25Å; R398-S405 PolarHBondContact NH2-OG 3.15Å; R398-E406 IonicContact CZ-OE1 3.56Å; R398-E406 IonicContact NH1-OE1 3.53Å; R398-E406 PolarHBondContact NH1-OE1 2.79Å; R398-E406 VanDerWaalsContact NH2-N 3.15Å; R398-C427 VanDerWaalsContact CD-O 3.31Å; R398-C427 WeakPolarHBondContact CD-O 3.23Å; R398-Y429 HydrophobicContact CB-CE2 4.41Å; R398-Y429 HydrophobicContact CG-CE1 4.21Å; R398-Y429 HydrophobicContact CG-CE2 4.14Å
399L89.2Confident79.4Confident5 Ų556.2 Ų56.23%0.02628%0.284CS..PPolyproline II helixtrans-71.9132.1179.9-65.6167.8000109.5P318 L341 M344 L375 F401 D402 Y429P318-L399 HydrophobicContact CG-CD1 4.39Å; L341-L399 HydrophobicContact CD2-CD1 3.69Å; M344-L399 HydrophobicContact CE-CD1 3.96Å; L375-L399 HydrophobicContact CB-CD2 4.44Å; L375-L399 HydrophobicContact CD1-CD1 4.38Å; L375-L399 HydrophobicContact CD1-CD2 4.18Å; L375-L399 HydrophobicContact CD1-CG 4.21Å; L399-F401 HydrophobicContact CB-CD1 4.31Å; L399-F401 HydrophobicContact CB-CE1 3.87Å; L399-F401 HydrophobicContact CB-CE2 4.36Å; L399-F401 HydrophobicContact CB-CZ 3.89Å; L399-F401 HydrophobicContact CD1-CE1 4.25Å; L399-F401 HydrophobicContact CD1-CE2 4.39Å; L399-F401 HydrophobicContact CD1-CZ 3.69Å; L399-F401 HydrophobicContact CD2-CE1 4.48Å; L399-F401 HydrophobicContact CG-CE1 4.42Å; L399-F401 HydrophobicContact CG-CZ 4.28Å; L399-F401 PolarHBondContact O-N 2.84Å; L399-D402 WeakPolarHBondContact O-CB 3.23Å; L399-D402 PolarHBondContact O-N 2.91Å; L399-Y429 HydrophobicContact CD1-CE2 4.48Å; L399-Y429 HydrophobicContact CG-CE2 4.14Å
400G82.1Confident77.2Confident58 Ų5861.3 Ų61.360%0.59831%0.309SS*.THydrogen-bonded Turntrans-68-9.1-170.300000115.2S372S372-G400 PolarHBondContact O-N 3.1Å
401F78.9Confident74.1Confident34 Ų3463.4 Ų63.415%0.14932%0.319CS..THydrogen-bonded Turntrans-97.9-3.817162.8-99.5000113.9P318 R319 V373 L399 K403 W404P318-F401 HydrophobicContact CB-CE2 4.47Å; P318-F401 HydrophobicContact CG-CE2 3.85Å; P318-F401 HydrophobicContact CG-CZ 3.56Å; R319-F401 HydrophobicContact CG-CD1 4.4Å; R319-F401 HydrophobicContact CG-CD2 3.52Å; R319-F401 HydrophobicContact CG-CE1 4.31Å; R319-F401 HydrophobicContact CG-CE2 3.45Å; R319-F401 VanDerWaalsContact CG-CE2 3.45Å; R319-F401 HydrophobicContact CG-CG 4.03Å; R319-F401 HydrophobicContact CG-CZ 3.87Å; V373-F401 HydrophobicContact CB-CE1 4.19Å; V373-F401 HydrophobicContact CG1-CE1 4.08Å; V373-F401 HydrophobicContact CG2-CD1 3.98Å; V373-F401 HydrophobicContact CG2-CE1 3.91Å; L399-F401 HydrophobicContact CB-CD1 4.31Å; L399-F401 HydrophobicContact CB-CE1 3.87Å; L399-F401 HydrophobicContact CB-CE2 4.36Å; L399-F401 HydrophobicContact CB-CZ 3.89Å; L399-F401 HydrophobicContact CD1-CE1 4.25Å; L399-F401 HydrophobicContact CD1-CE2 4.39Å; L399-F401 HydrophobicContact CD1-CZ 3.69Å; L399-F401 HydrophobicContact CD2-CE1 4.48Å; L399-F401 HydrophobicContact CG-CE1 4.42Å; L399-F401 HydrophobicContact CG-CZ 4.28Å; L399-F401 PolarHBondContact O-N 2.84Å; F401-K403 PolarHBondContact O-N 3.35Å; F401-W404 AromaticContact CD2-CH2 3.84Å; F401-W404 HydrophobicContact CD2-CH2 3.84Å; F401-W404 AromaticContact CD2-CZ3 3.74Å; F401-W404 HydrophobicContact CD2-CZ3 3.74Å; F401-W404 HydrophobicContact CE2-CH2 4.11Å; F401-W404 AromaticContact CE2-CZ3 3.87Å; F401-W404 HydrophobicContact CE2-CZ3 3.87Å
402D80.4Confident71.1Confident2 Ų270.8 Ų70.81%0.01135%0.352CS..  trans-73.975175.2-178.510.3000110.7L337 R398 L399 W404 S405 Y429L337-D402 WeakPolarHBondContact CD1-OD2 3.41Å; R398-D402 HydrophobicContact CG-CB 4.47Å; R398-D402 IonicContact NE-OD2 2.73Å; R398-D402 PolarHBondContact NH1-O 2.87Å; R398-D402 PolarHBondContact NH2-O 3.14Å; R398-D402 IonicContact NH2-OD1 2.77Å; R398-D402 IonicContact NH2-OD2 3.4Å; L399-D402 WeakPolarHBondContact O-CB 3.23Å; L399-D402 PolarHBondContact O-N 2.91Å; D402-W404 HydrophobicContact CB-CE3 4.37Å; D402-W404 PolarHBondContact OD1-N 3.37Å; D402-S405 PolarHBondContact OD1-N 3.37Å; D402-S405 PolarHBondContact OD1-OG 2.92Å; D402-S405 VanDerWaalsContact OD1-OG 3.13Å; D402-S405 PolarHBondContact OD2-OG 3.27Å; D402-Y429 VanDerWaalsContact CB-OH 3.23Å; D402-Y429 WeakPolarHBondContact CB-OH 3.4Å; D402-Y429 VanDerWaalsContact CG-OH 3.31Å; D402-Y429 WeakPolarHBondContact OD2-CE1 3.33Å; D402-Y429 PolarHBondContact OD2-OH 2.83Å
403K72Confident68.1Low148 Ų14876.8 Ų76.864%0.64339%0.392SS*.  trans-78.8-13.1170.1-59.4-179.1-178.6-175.40111.6F401F401-K403 PolarHBondContact O-N 3.35Å
404W66.9Low65.2Low67 Ų6782.2 Ų82.225%0.25442%0.421SS..SBendtrans-75.6-40.1-170.8-54.6-74.4000112.4R319 V322 P323 P333 F401 D402 E406R319-W404 HydrophobicContact CG-CH2 4.38Å; V322-W404 HydrophobicContact CB-CE3 4.48Å; V322-W404 HydrophobicContact CB-CH2 4.26Å; V322-W404 HydrophobicContact CB-CZ2 4.34Å; V322-W404 HydrophobicContact CB-CZ3 4.32Å; V322-W404 HydrophobicContact CG1-CD2 3.73Å; V322-W404 HydrophobicContact CG1-CE3 3.98Å; V322-W404 HydrophobicContact CG1-CG 4.15Å; V322-W404 HydrophobicContact CG1-CH2 4.37Å; V322-W404 HydrophobicContact CG1-CZ2 4.13Å; V322-W404 HydrophobicContact CG1-CZ3 4.29Å; V322-W404 HydrophobicContact CG2-CZ3 4.36Å; P323-W404 HydrophobicContact CG-CZ2 4.36Å; P333-W404 HydrophobicContact CB-CB 3.32Å; P333-W404 HydrophobicContact CB-CG 3.85Å; P333-W404 HydrophobicContact CG-CB 3.76Å; P333-W404 HydrophobicContact CG-CG 4.11Å; F401-W404 AromaticContact CD2-CH2 3.84Å; F401-W404 HydrophobicContact CD2-CH2 3.84Å; F401-W404 AromaticContact CD2-CZ3 3.74Å; F401-W404 HydrophobicContact CD2-CZ3 3.74Å; F401-W404 HydrophobicContact CE2-CH2 4.11Å; F401-W404 AromaticContact CE2-CZ3 3.87Å; F401-W404 HydrophobicContact CE2-CZ3 3.87Å; D402-W404 HydrophobicContact CB-CE3 4.37Å; D402-W404 PolarHBondContact OD1-N 3.37Å; W404-E406 VanDerWaalsContact C-N 3.31Å; W404-E406 PolarHBondContact O-N 2.91Å
405S60.7Low62.2Low38 Ų3888.1 Ų88.127%0.26645%0.453SS..G310 helixtrans-82.3-1.2-179.261.10000114.6R398 D402R398-S405 PolarHBondContact NE-OG 3.25Å; R398-S405 PolarHBondContact NH2-OG 3.15Å; D402-S405 PolarHBondContact OD1-N 3.37Å; D402-S405 PolarHBondContact OD1-OG 2.92Å; D402-S405 VanDerWaalsContact OD1-OG 3.13Å; D402-S405 PolarHBondContact OD2-OG 3.27Å
406E57Low59.3Low108 Ų10897 Ų9751%0.50549%0.494SS..G310 helixtrans-73.5-34176.8-59.3-167.3149.700112.8R398 W404 K408 N409R398-E406 IonicContact CZ-OE1 3.56Å; R398-E406 IonicContact NH1-OE1 3.53Å; R398-E406 PolarHBondContact NH1-OE1 2.79Å; R398-E406 VanDerWaalsContact NH2-N 3.15Å; W404-E406 VanDerWaalsContact C-N 3.31Å; W404-E406 PolarHBondContact O-N 2.91Å; E406-K408 PolarHBondContact O-N 3.29Å; E406-N409 PolarHBondContact O-N 2.94Å
407Q49.8Very low56.4Low147 Ų147104.6 Ų104.669%0.68754%0.535SS*.G310 helixtrans-68.9-12.2-166-65.6-176.2-32.200114N409 I410Q407-N409 VanDerWaalsContact C-N 3.26Å; Q407-N409 PolarHBondContact O-N 2.83Å; Q407-I410 PolarHBondContact O-N 2.86Å
408K48.4Very low53.7Low127 Ų127105.1 Ų105.155%0.55254%0.544SS*.G310 helixtrans-71-16.1177.4-81.7177.9176.7162.50114.5D332 E406D332-K408 IonicContact OD1-NZ 2.71Å; D332-K408 PolarHBondContact OD1-NZ 2.91Å; D332-K408 VanDerWaalsContact OD1-NZ 3.11Å; D332-K408 VanDerWaalsContact OD2-CE 3.26Å; D332-K408 WeakPolarHBondContact OD2-CE 3.41Å; D332-K408 IonicContact OD2-NZ 3.49Å; D332-K408 PolarHBondContact OD2-NZ 2.86Å; E406-K408 PolarHBondContact O-N 3.29Å
409N39.6Very low50.9Low139 Ų139111.8 Ų111.874%0.74358%0.577SS**G310 helixtrans-94.84.8178.2-71.1-2.5000113.9E406 Q407E406-N409 PolarHBondContact O-N 2.94Å; Q407-N409 VanDerWaalsContact C-N 3.26Å; Q407-N409 PolarHBondContact O-N 2.83Å
410I39.5Very low48.1Very low143 Ų143119.5 Ų119.573%0.73362%0.618SS**  trans-122.561.9-179.4-43.8180000110.7Q407Q407-I410 PolarHBondContact O-N 2.86Å
411L29.2Very low45.5Very low147 Ų147123.7 Ų123.777%0.7762%0.623SS**  trans-140.171.5171.7-82.9174.2000111
412H34.2Very low43.2Very low159 Ų159128.7 Ų128.774%0.73665%0.652SS**  trans-176.4103.8146.6-103.2-74.5000109.5N414H412-N414 VanDerWaalsContact C-N 3.3Å; H412-N414 PolarHBondContact O-N 3.27Å
413P34.5Very low41Very low127 Ų127137.1 Ų137.183%0.82570%0.695SS**THydrogen-bonded Turntrans-80.48.5-176.9-16.932.7000116.6
414N36.1Very low39.3Very low138 Ų138134.4 Ų134.474%0.73870%0.695SS**THydrogen-bonded Turntrans-123.113.3-158.9-77.721.4000116.1H412H412-N414 VanDerWaalsContact C-N 3.3Å; H412-N414 PolarHBondContact O-N 3.27Å
415D35.7Very low38.2Very low123 Ų123138.1 Ų138.166%0.65872%0.72SS**  trans-109.697.8174.2-75.5-52.7000111.2N417D415-N417 PolarHBondContact O-N 2.98Å
416E35.9Very low38.1Very low202 Ų202140.4 Ų140.494%0.94473%0.729SS**  trans-71.312.4178.4-65.9-168141.700114.4
417N33.6Very low38.8Very low160 Ų160138.7 Ų138.786%0.85673%0.728SS**  trans-117.353-175.6-88.8-39.2000113.1D415D415-N417 PolarHBondContact O-N 2.98Å
418V34.4Very low40.7Very low91 Ų91133.9 Ų133.955%0.55271%0.707SS**  trans-132.367.5168.3-165.60000111.8M421V418-M421 HydrophobicContact CG1-CB 3.6Å; V418-M421 HydrophobicContact CG1-CG 3.51Å
419Q30.1Very low42.8Very low185 Ų185129 Ų12986%0.86469%0.685SS**SBendtrans-98.4126150-65.4-176.3200107
420N31.1Very low45.4Very low166 Ų166126.7 Ų126.789%0.88867%0.667SS**SBendtrans84.741.2-174.6-49.1-36.3000118.4
421M27.8Very low48.1Very low146 Ų146120.9 Ų120.972%0.71964%0.636SS**  trans-98.2126.1148.6-80.3-77.3-168.200109.1V418 I423V418-M421 HydrophobicContact CG1-CB 3.6Å; V418-M421 HydrophobicContact CG1-CG 3.51Å; M421-I423 PolarHBondContact O-N 3.25Å
422N31.3Very low51.3Low139 Ų139115.4 Ų115.474%0.74361%0.61SS**  trans-69.4111.3171.6-79.3-34.7000109.4S424N422-S424 PolarHBondContact O-N 2.82Å
423I33.6Very low54.2Low179 Ų179107.9 Ų107.992%0.91858%0.575SS**THydrogen-bonded Turntrans-77.465.6177.3-50.8174.5000109.1M421M421-I423 PolarHBondContact O-N 3.25Å
424S36.5Very low57.1Low91 Ų91103.1 Ų103.164%0.63654%0.544SS*.THydrogen-bonded Turntrans-144.24.8179.568.80000115.1N422 N426N422-S424 PolarHBondContact O-N 2.82Å; S424-N426 PolarHBondContact O-N 2.97Å
425D43.9Very low59.9Low146 Ų14698.4 Ų98.478%0.78152%0.518SS*.SBendtrans-7974-173.7-78.7-14.6000113.7
426N57.1Low62.7Low85 Ų8595.7 Ų95.746%0.45551%0.506SS..  trans71.461.3137.3-149.4-15.1000117.7S424 N428 Y430S424-N426 PolarHBondContact O-N 2.97Å; N426-N428 PolarHBondContact O-N 3.41Å; N426-Y430 PolarHBondContact ND2-OH 3.18Å; N426-Y430 PolarHBondContact OD1-OH 3.28Å
427C73.3Confident65.4Low72 Ų7287.6 Ų87.649%0.48647%0.468SS..  trans-74.610.6171.7-50.20000114.8R398R398-C427 VanDerWaalsContact CD-O 3.31Å; R398-C427 WeakPolarHBondContact CD-O 3.23Å
428N88.9Confident68.4Low46 Ų4680 Ų8025%0.24643%0.427CS..  trans-73.7156.1-174.8-70.5-24.4000112.3L378 E395 W396 N426 Y430L378-N428 WeakPolarHBondContact CD1-ND2 3.36Å; E395-N428 HydrophobicContact CG-CB 3.85Å; E395-N428 PolarHBondContact OE1-ND2 2.86Å; W396-N428 WeakPolarHBondContact O-CB 3.49Å; N426-N428 PolarHBondContact O-N 3.41Å; N428-Y430 HydrophobicContact CB-CE2 4.12Å; N428-Y430 VanDerWaalsContact O-CD2 3.24Å; N428-Y430 WeakPolarHBondContact O-CD2 3.39Å; N428-Y430 VanDerWaalsContact O-CE2 3.28Å; N428-Y430 WeakPolarHBondContact O-CE2 3.42Å
429Y93.2Very high71.4Confident26 Ų2679.6 Ų79.610%0.10242%0.416CS..EExtended strand (participates in β ladder)trans-86.9142.6177.4-48.4-61.3000111.6L337 L341 L375 E395 W396 R398 L399 D402L337-Y429 HydrophobicContact CD1-CE1 4.48Å; L341-Y429 HydrophobicContact CD1-CD1 3.77Å; L341-Y429 HydrophobicContact CD1-CD2 3.62Å; L341-Y429 HydrophobicContact CD1-CE1 3.79Å; L341-Y429 HydrophobicContact CD1-CE2 3.6Å; L341-Y429 HydrophobicContact CD1-CG 3.69Å; L375-Y429 HydrophobicContact CD1-CD2 4.15Å; L375-Y429 HydrophobicContact CD1-CE2 4.37Å; E395-Y429 WeakPolarHBondContact CA-O 3.33Å; W396-Y429 HydrophobicContact CB-CD2 4.46Å; W396-Y429 PolarHBondContact N-O 3.03Å; W396-Y429 PolarHBondContact O-N 3.21Å; R398-Y429 HydrophobicContact CB-CE2 4.41Å; R398-Y429 HydrophobicContact CG-CE1 4.21Å; R398-Y429 HydrophobicContact CG-CE2 4.14Å; L399-Y429 HydrophobicContact CD1-CE2 4.48Å; L399-Y429 HydrophobicContact CG-CE2 4.14Å; D402-Y429 VanDerWaalsContact CB-OH 3.23Å; D402-Y429 WeakPolarHBondContact CB-OH 3.4Å; D402-Y429 VanDerWaalsContact CG-OH 3.31Å; D402-Y429 WeakPolarHBondContact OD2-CE1 3.33Å; D402-Y429 PolarHBondContact OD2-OH 2.83Å
430Y94.4Very high74.5Confident90 Ų9078.7 Ų78.735%0.35341%0.405SS..EExtended strand (participates in β ladder)trans-126.4112.4178.8-66.2-91.6000110V381 E395 N426 N428V381-Y430 HydrophobicContact CG2-CD1 4.04Å; V381-Y430 HydrophobicContact CG2-CE1 4Å; E395-Y430 HydrophobicContact CB-CD1 4.18Å; E395-Y430 HydrophobicContact CB-CE1 3.72Å; E395-Y430 HydrophobicContact CG-CD1 4.41Å; E395-Y430 HydrophobicContact CG-CE1 3.66Å; E395-Y430 HydrophobicContact CG-CE2 4.45Å; E395-Y430 PolarHBondContact OE1-OH 2.63Å; N426-Y430 PolarHBondContact ND2-OH 3.18Å; N426-Y430 PolarHBondContact OD1-OH 3.28Å; N428-Y430 HydrophobicContact CB-CE2 4.12Å; N428-Y430 VanDerWaalsContact O-CD2 3.24Å; N428-Y430 WeakPolarHBondContact O-CD2 3.39Å; N428-Y430 VanDerWaalsContact O-CE2 3.28Å; N428-Y430 WeakPolarHBondContact O-CE2 3.42Å
431F95.5Very high77.5Confident21 Ų2172.2 Ų72.29%0.09237%0.371CS..EExtended strand (participates in β ladder)trans-155.8168.7173.257-98.3000112.5L341 P342 A345 L375 V394 W396 V433L341-F431 HydrophobicContact CB-CD1 4.49Å; L341-F431 HydrophobicContact CB-CE1 3.72Å; L341-F431 HydrophobicContact CB-CZ 4.04Å; P342-F431 HydrophobicContact CB-CD2 4.01Å; P342-F431 HydrophobicContact CB-CE2 4.31Å; P342-F431 HydrophobicContact CB-CG 4.47Å; P342-F431 HydrophobicContact CG-CB 4.01Å; P342-F431 HydrophobicContact CG-CD1 4.35Å; P342-F431 HydrophobicContact CG-CD2 3.88Å; P342-F431 HydrophobicContact CG-CE2 4.38Å; P342-F431 HydrophobicContact CG-CG 3.85Å; A345-F431 HydrophobicContact CB-CE2 3.53Å; A345-F431 HydrophobicContact CB-CZ 3.76Å; L375-F431 HydrophobicContact CD2-CZ 3.76Å; V394-F431 PolarHBondContact N-O 3.48Å; V394-F431 PolarHBondContact O-N 3.29Å; W396-F431 AromaticContact CD1-CD1 3.9Å; W396-F431 AromaticContact CD1-CE1 3.57Å; W396-F431 AromaticContact CD1-CZ 3.68Å; W396-F431 HydrophobicContact CD2-CE2 4.48Å; W396-F431 HydrophobicContact CD2-CZ 4.1Å; W396-F431 AromaticContact CE2-CE2 3.64Å; W396-F431 AromaticContact CE2-CZ 3.7Å; W396-F431 HydrophobicContact CG-CE1 4.12Å; W396-F431 HydrophobicContact CG-CZ 4.08Å; W396-F431 AromaticContact CZ2-CE2 3.9Å; W396-F431 HydrophobicContact CZ2-CE2 3.9Å; W396-F431 HydrophobicContact CZ2-CZ 4.29Å; W396-F431 AromaticContact NE1-CD2 3.66Å; W396-F431 AromaticContact NE1-CE1 3.74Å; W396-F431 AromaticContact NE1-CE2 3.34Å; W396-F431 VanDerWaalsContact NE1-CE2 3.34Å; W396-F431 AromaticContact NE1-CG 4Å; W396-F431 AromaticContact NE1-CZ 3.41Å; F431-V433 HydrophobicContact CD2-CG1 4.16Å; F431-V433 HydrophobicContact CE2-CG1 3.95Å
432S95.6Very high80.7Confident32 Ų3266.5 Ų66.522%0.22434%0.342CS..EExtended strand (participates in β ladder)trans-97136.4-175.8-57.20000112.8Y392Y392-S432 CarbonylContact O-C 3.45Å; Y392-S432 VanDerWaalsContact O-CA 3.23Å; Y392-S432 WeakPolarHBondContact O-CA 3.39Å
433V95.6Very high83.8Confident1 Ų163 Ų631%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-127.9149.4172.4-70.80000110.8A345 L349 S391 Y392 V394 W396 F431 F438A345-V433 HydrophobicContact CB-CG1 4.18Å; L349-V433 HydrophobicContact CD1-CB 3.98Å; L349-V433 HydrophobicContact CD1-CG1 4.14Å; L349-V433 HydrophobicContact CD1-CG2 4.24Å; S391-V433 CarbonylContact C-O 3.53Å; S391-V433 VanDerWaalsContact CA-O 3.23Å; S391-V433 WeakPolarHBondContact CA-O 3.34Å; S391-V433 WeakPolarHBondContact CB-O 3.5Å; Y392-V433 PolarHBondContact N-O 2.87Å; Y392-V433 PolarHBondContact O-N 3.38Å; V394-V433 HydrophobicContact CG2-CG2 3.87Å; W396-V433 HydrophobicContact CH2-CG1 4.49Å; W396-V433 HydrophobicContact CZ2-CG1 3.79Å; W396-V433 HydrophobicContact CZ2-CG2 3.98Å; F431-V433 HydrophobicContact CD2-CG1 4.16Å; F431-V433 HydrophobicContact CE2-CG1 3.95Å; V433-F438 HydrophobicContact CG2-CB 4Å; V433-F438 HydrophobicContact CG2-CD2 3.66Å; V433-F438 HydrophobicContact CG2-CE2 4.45Å; V433-F438 HydrophobicContact CG2-CG 4.02Å
434P94.6Very high86.7Confident26 Ų2661.9 Ų61.917%0.16932%0.319CS..EExtended strand (participates in β ladder)trans-56137.9177.5-27.937.1000113.3L346 V389 V436 E437 F438L346-P434 HydrophobicContact CD1-CG 4.29Å; V389-P434 HydrophobicContact CG1-CB 4.18Å; P434-V436 VanDerWaalsContact C-N 3.31Å; P434-V436 PolarHBondContact O-N 3.45Å; P434-E437 HydrophobicContact CB-CB 4.5Å; P434-E437 WeakPolarHBondContact CB-OE2 3.25Å; P434-F438 VanDerWaalsContact O-CB 3.32Å; P434-F438 WeakPolarHBondContact O-CB 3.36Å; P434-F438 PolarHBondContact O-N 3.4Å
435Q95.6Very high89.6Confident39 Ų3959 Ų5918%0.18230%0.297CS..Hα-helixtrans-65.4-32.2-177.2165.3168.1-24.600112.7D390 Y392 R439D390-Q435 HydrophobicContact CB-CB 4.39Å; D390-Q435 WeakPolarHBondContact O-CB 3.39Å; D390-Q435 PolarHBondContact O-N 3.43Å; Y392-Q435 HydrophobicContact CD2-CB 4.09Å; Y392-Q435 HydrophobicContact CD2-CG 4.25Å; Y392-Q435 HydrophobicContact CE2-CB 3.9Å; Y392-Q435 HydrophobicContact CE2-CG 3.54Å; Q435-R439 VanDerWaalsContact O-CB 3.23Å; Q435-R439 WeakPolarHBondContact O-CB 3.46Å; Q435-R439 PolarHBondContact O-N 2.89Å
436V93.9Very high92.1Very high67 Ų6752.1 Ų52.141%0.40626%0.26SS..Hα-helixtrans-70.5-53.5-177.3176.80000110.4P434 R439 R440 L677P434-V436 VanDerWaalsContact C-N 3.31Å; P434-V436 PolarHBondContact O-N 3.45Å; V436-R439 PolarHBondContact O-N 2.67Å; V436-R440 PolarHBondContact O-N 3.49Å; V436-L677 HydrophobicContact CG1-CD1 4.04Å
437E94.1Very high93.9Very high31 Ų3150.9 Ų50.915%0.14526%0.258CS..Hα-helixtrans-61.1-44.7176-69.493.213200111.8L349 R350 P434 R439 R440L349-E437 HydrophobicContact CB-CB 4.18Å; L349-E437 HydrophobicContact CD1-CB 4.4Å; R350-E437 IonicContact NH2-OE1 3.58Å; P434-E437 HydrophobicContact CB-CB 4.5Å; P434-E437 WeakPolarHBondContact CB-OE2 3.25Å; E437-R439 PolarHBondContact O-N 3.13Å; E437-R440 WeakPolarHBondContact O-CB 3.38Å; E437-R440 PolarHBondContact O-N 3.42Å
438F96.9Very high95Very high0 Ų053 Ų530%026%0.264CS..Hα-helixtrans-64.1-41.9179.3-169.1-97.7000112.7L349 P377 I380 Y392 V394 W396 V433 P434 R440 V441 H442 I445L349-F438 HydrophobicContact CD1-CB 4.28Å; L349-F438 HydrophobicContact CD1-CD2 4.13Å; L349-F438 HydrophobicContact CD2-CD2 4.03Å; P377-F438 HydrophobicContact CB-CE2 3.74Å; P377-F438 HydrophobicContact CB-CZ 3.76Å; P377-F438 HydrophobicContact CG-CE2 3.94Å; P377-F438 HydrophobicContact CG-CZ 4.05Å; I380-F438 HydrophobicContact CD1-CD1 4.29Å; I380-F438 HydrophobicContact CD1-CE1 3.9Å; I380-F438 HydrophobicContact CG1-CD1 4.45Å; I380-F438 HydrophobicContact CG1-CE1 3.83Å; I380-F438 HydrophobicContact CG1-CZ 4.5Å; Y392-F438 HydrophobicContact CD2-CB 4.26Å; Y392-F438 AromaticContact CD2-CD1 3.77Å; Y392-F438 HydrophobicContact CD2-CD1 3.77Å; Y392-F438 HydrophobicContact CD2-CG 4.31Å; Y392-F438 HydrophobicContact CE2-CD1 4.28Å; V394-F438 HydrophobicContact CG1-CE2 4.07Å; V394-F438 HydrophobicContact CG1-CZ 4.1Å; V394-F438 HydrophobicContact CG2-CD2 4.27Å; V394-F438 HydrophobicContact CG2-CE1 4.32Å; V394-F438 HydrophobicContact CG2-CE2 3.93Å; V394-F438 HydrophobicContact CG2-CZ 3.96Å; W396-F438 HydrophobicContact CH2-CD2 4.2Å; W396-F438 AromaticContact CH2-CE2 3.88Å; W396-F438 HydrophobicContact CH2-CE2 3.88Å; W396-F438 HydrophobicContact CZ2-CE2 4.25Å; V433-F438 HydrophobicContact CG2-CB 4Å; V433-F438 HydrophobicContact CG2-CD2 3.66Å; V433-F438 HydrophobicContact CG2-CE2 4.45Å; V433-F438 HydrophobicContact CG2-CG 4.02Å; P434-F438 VanDerWaalsContact O-CB 3.32Å; P434-F438 WeakPolarHBondContact O-CB 3.36Å; P434-F438 PolarHBondContact O-N 3.4Å; F438-R440 VanDerWaalsContact C-N 3.31Å; F438-R440 PolarHBondContact O-N 2.94Å; F438-V441 PolarHBondContact O-N 3.25Å; F438-H442 HydrophobicContact CD1-CB 4.4Å; F438-H442 AromaticContact CD2-CD2 3.9Å; F438-H442 HydrophobicContact CE1-CB 3.88Å; F438-H442 HydrophobicContact CE2-CB 4.24Å; F438-H442 AromaticContact CE2-CD2 3.57Å; F438-H442 HydrophobicContact CZ-CB 3.8Å; F438-H442 PolarHBondContact O-N 3.05Å; F438-I445 HydrophobicContact CE1-CB 4.36Å; F438-I445 HydrophobicContact CE1-CG2 4.22Å; F438-I445 HydrophobicContact CZ-CG2 4.35Å
439R96.5Very high95.3Very high84 Ų8452.5 Ų52.532%0.31726%0.259SS..Hα-helixtrans-66.6-31.3178.7-175.4176.2-60.4-120.10.7113.1Y392 Q435 V436 E437 V441 S443 C446 E450Y392-R439 PolarHBondContact OH-NH2 3.05Å; Q435-R439 VanDerWaalsContact O-CB 3.23Å; Q435-R439 WeakPolarHBondContact O-CB 3.46Å; Q435-R439 PolarHBondContact O-N 2.89Å; V436-R439 PolarHBondContact O-N 2.67Å; E437-R439 PolarHBondContact O-N 3.13Å; R439-V441 PolarHBondContact O-N 3.25Å; R439-S443 PolarHBondContact O-N 3.48Å; R439-C446 HydrophobicContact CG-CB 4.38Å; R439-E450 IonicContact CZ-OE2 2.92Å; R439-E450 VanDerWaalsContact CZ-OE2 3.26Å; R439-E450 IonicContact NH1-OE2 3.9Å; R439-E450 PolarHBondContact NH1-OE2 2.77Å; R439-E450 IonicContact NH2-OE1 3.75Å; R439-E450 PolarHBondContact NH2-OE1 2.8Å; R439-E450 IonicContact NH2-OE2 3.42Å; R439-E450 PolarHBondContact NH2-OE2 2.77Å
440R95Very high95.3Very high166 Ų16653.4 Ų53.463%0.62627%0.265SS*.Hα-helixtrans-60.9-34.1177.3-175.4-176.9-69.6162.9-3.3112.1V436 E437 F438V436-R440 PolarHBondContact O-N 3.49Å; E437-R440 WeakPolarHBondContact O-CB 3.38Å; E437-R440 PolarHBondContact O-N 3.42Å; F438-R440 VanDerWaalsContact C-N 3.31Å; F438-R440 PolarHBondContact O-N 2.94Å
441V94.8Very high95.3Very high30 Ų3053.9 Ų53.918%0.18227%0.273CS..Hα-helixtrans-102.9-39.7-174.8-168.90000112.4L349 P352 Y355 F438 R439L349-V441 HydrophobicContact CB-CG2 4.48Å; L349-V441 HydrophobicContact CD2-CB 3.88Å; L349-V441 HydrophobicContact CD2-CG1 4.49Å; L349-V441 HydrophobicContact CD2-CG2 3.9Å; L349-V441 WeakPolarHBondContact O-CG2 3.39Å; P352-V441 HydrophobicContact CB-CG1 3.99Å; P352-V441 HydrophobicContact CB-CG2 3.91Å; Y355-V441 HydrophobicContact CD2-CG1 3.7Å; Y355-V441 HydrophobicContact CE2-CG1 3.78Å; F438-V441 PolarHBondContact O-N 3.25Å; R439-V441 PolarHBondContact O-N 3.25Å
442H95.5Very high95Very high26 Ų2656 Ų5612%0.1229%0.291CS..  trans-119.656.5-175.3-53.3-70000111.6Y355 F438 E444 I445 C446Y355-H442 AromaticContact CE2-NE2 3.83Å; Y355-H442 AromaticContact CZ-CE1 3.85Å; Y355-H442 AromaticContact CZ-NE2 3.7Å; F438-H442 HydrophobicContact CD1-CB 4.4Å; F438-H442 AromaticContact CD2-CD2 3.9Å; F438-H442 HydrophobicContact CE1-CB 3.88Å; F438-H442 HydrophobicContact CE2-CB 4.24Å; F438-H442 AromaticContact CE2-CD2 3.57Å; F438-H442 HydrophobicContact CZ-CB 3.8Å; F438-H442 PolarHBondContact O-N 3.05Å; H442-E444 VanDerWaalsContact C-N 3.29Å; H442-E444 PolarHBondContact O-N 3.28Å; H442-I445 HydrophobicContact CB-CB 4.29Å; H442-I445 HydrophobicContact CB-CD1 4.12Å; H442-I445 HydrophobicContact CB-CG1 4.3Å; H442-I445 PolarHBondContact O-N 2.88Å; H442-C446 PolarHBondContact O-N 2.92Å; H442-C446 VanDerWaalsContact O-N 3.15Å; H442-C446 PolarHBondContact O-SG 3.42Å
443S95.1Very high94.6Very high65 Ų6557.5 Ų57.546%0.45530%0.299SS..Hα-helixtrans-57.7-39.1179.5580000112.6R439 C446 S447R439-S443 PolarHBondContact O-N 3.48Å; S443-C446 WeakPolarHBondContact O-CB 3.43Å; S443-C446 PolarHBondContact O-N 3.09Å; S443-S447 PolarHBondContact O-N 2.87Å; S443-S447 PolarHBondContact O-OG 2.79Å
444E95.7Very high93.8Very high155 Ų15560.8 Ų60.872%0.72432%0.321SS*.Hα-helixtrans-62.6-47.5178.5-61.7-174.3173.700112.3H442 C446 S447 L448H442-E444 VanDerWaalsContact C-N 3.29Å; H442-E444 PolarHBondContact O-N 3.28Å; E444-C446 VanDerWaalsContact C-N 3.27Å; E444-C446 PolarHBondContact O-N 3.22Å; E444-S447 PolarHBondContact O-N 3.38Å; E444-S447 VanDerWaalsContact O-N 3.14Å; E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.49Å
445I96.7Very high92.9Very high32 Ų3264.8 Ų64.816%0.16434%0.338CS..Hα-helixtrans-61.7-38.5176.7-56.9-177.5000110.5P377 I380 F438 H442 F449P377-I445 HydrophobicContact CB-CD1 4.06Å; P377-I445 HydrophobicContact CG-CD1 3.79Å; P377-I445 WeakPolarHBondContact O-CD1 3.37Å; I380-I445 HydrophobicContact CD1-CG2 4.28Å; I380-I445 HydrophobicContact CG1-CG2 4.1Å; F438-I445 HydrophobicContact CE1-CB 4.36Å; F438-I445 HydrophobicContact CE1-CG2 4.22Å; F438-I445 HydrophobicContact CZ-CG2 4.35Å; H442-I445 HydrophobicContact CB-CB 4.29Å; H442-I445 HydrophobicContact CB-CD1 4.12Å; H442-I445 HydrophobicContact CB-CG1 4.3Å; H442-I445 PolarHBondContact O-N 2.88Å; I445-F449 WeakPolarHBondContact O-CB 3.26Å; I445-F449 PolarHBondContact O-N 3.48Å
446C96.4Very high92Very high0 Ų067.3 Ų67.30%035%0.351CS..Hα-helixtrans-60.6-49.4173.1-63.80000111.5I380 R439 H442 S443 E444 F449 E450I380-C446 HydrophobicContact CD1-CB 4.47Å; R439-C446 HydrophobicContact CG-CB 4.38Å; H442-C446 PolarHBondContact O-N 2.92Å; H442-C446 VanDerWaalsContact O-N 3.15Å; H442-C446 PolarHBondContact O-SG 3.42Å; S443-C446 WeakPolarHBondContact O-CB 3.43Å; S443-C446 PolarHBondContact O-N 3.09Å; E444-C446 VanDerWaalsContact C-N 3.27Å; E444-C446 PolarHBondContact O-N 3.22Å; C446-F449 PolarHBondContact O-N 2.9Å; C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.4Å; C446-E450 PolarHBondContact O-N 2.91Å
447S95.6Very high90.8Very high60 Ų6066.7 Ų66.742%0.4235%0.35SS..Hα-helixtrans-61.8-43.2178.9-66.70000112.5S443 E444 F449 E450 N451S443-S447 PolarHBondContact O-N 2.87Å; S443-S447 PolarHBondContact O-OG 2.79Å; E444-S447 PolarHBondContact O-N 3.38Å; E444-S447 VanDerWaalsContact O-N 3.14Å; S447-F449 PolarHBondContact O-N 2.89Å; S447-E450 PolarHBondContact O-N 3.32Å; S447-N451 VanDerWaalsContact O-CB 3.25Å; S447-N451 WeakPolarHBondContact O-CB 3.24Å; S447-N451 PolarHBondContact O-N 3.04Å; S447-N451 PolarHBondContact O-ND2 2.9Å
448L95.6Very high89.6Confident117 Ų11769.4 Ų69.461%0.61336%0.364SS*.Hα-helixtrans-60.7-44.5175.7-71.4171.7000112E444 S452E444-L448 WeakPolarHBondContact O-CG 3.38Å; E444-L448 PolarHBondContact O-N 3.49Å; L448-S452 WeakPolarHBondContact O-CB 3.31Å; L448-S452 PolarHBondContact O-N 3.19Å; L448-S452 PolarHBondContact O-OG 2.81Å
449F96Very high87.9Confident34 Ų3477.6 Ų77.615%0.14940%0.395CS..Hα-helixtrans-65.2-44.3176.5175.5-100.2000112.4I380 K383 Y392 I445 C446 S447 S452 T453I380-F449 HydrophobicContact CB-CB 3.94Å; I380-F449 HydrophobicContact CB-CD1 4.22Å; I380-F449 HydrophobicContact CB-CD2 3.64Å; I380-F449 HydrophobicContact CB-CE2 4.21Å; I380-F449 HydrophobicContact CB-CG 3.65Å; I380-F449 HydrophobicContact CD1-CB 3.83Å; I380-F449 HydrophobicContact CD1-CD1 4.16Å; I380-F449 HydrophobicContact CD1-CG 4.05Å; I380-F449 HydrophobicContact CG1-CB 4.44Å; I380-F449 HydrophobicContact CG1-CG 4.47Å; I380-F449 HydrophobicContact CG2-CB 4.44Å; I380-F449 HydrophobicContact CG2-CD1 3.78Å; I380-F449 HydrophobicContact CG2-CD2 3.52Å; I380-F449 HydrophobicContact CG2-CE1 3.84Å; I380-F449 HydrophobicContact CG2-CE2 3.58Å; I380-F449 HydrophobicContact CG2-CG 3.63Å; I380-F449 HydrophobicContact CG2-CZ 3.76Å; I380-F449 WeakPolarHBondContact O-CD2 3.26Å; K383-F449 HydrophobicContact CG-CE1 3.96Å; K383-F449 HydrophobicContact CG-CZ 4.39Å; Y392-F449 HydrophobicContact CD1-CE1 4.48Å; Y392-F449 HydrophobicContact CE1-CD1 4.09Å; Y392-F449 HydrophobicContact CE1-CE1 4.05Å; I445-F449 WeakPolarHBondContact O-CB 3.26Å; I445-F449 PolarHBondContact O-N 3.48Å; C446-F449 PolarHBondContact O-N 2.9Å; S447-F449 PolarHBondContact O-N 2.89Å; F449-S452 PolarHBondContact O-N 2.76Å; F449-T453 WeakPolarHBondContact O-CB 3.35Å; F449-T453 PolarHBondContact O-N 3.45Å; F449-T453 PolarHBondContact O-OG1 3.46Å
450E93.2Very high86.5Confident46 Ų4680.3 Ų80.322%0.21541%0.409CS..Hα-helixtrans-68.9-41.6-179-69.6-169.5143.100111.8K383 Y392 R439 C446 S447 S452 T453 C454K383-E450 IonicContact NZ-OE1 3.86Å; K383-E450 PolarHBondContact NZ-OE1 3.42Å; Y392-E450 PolarHBondContact OH-OE1 2.73Å; R439-E450 IonicContact CZ-OE2 2.92Å; R439-E450 VanDerWaalsContact CZ-OE2 3.26Å; R439-E450 IonicContact NH1-OE2 3.9Å; R439-E450 PolarHBondContact NH1-OE2 2.77Å; R439-E450 IonicContact NH2-OE1 3.75Å; R439-E450 PolarHBondContact NH2-OE1 2.8Å; R439-E450 IonicContact NH2-OE2 3.42Å; R439-E450 PolarHBondContact NH2-OE2 2.77Å; C446-E450 WeakPolarHBondContact O-CB 3.36Å; C446-E450 WeakPolarHBondContact O-CG 3.4Å; C446-E450 PolarHBondContact O-N 2.91Å; S447-E450 PolarHBondContact O-N 3.32Å; E450-S452 PolarHBondContact O-N 3.38Å; E450-T453 PolarHBondContact O-N 3.36Å; E450-C454 WeakPolarHBondContact O-CB 2.73Å; E450-C454 PolarHBondContact O-N 3.11Å; E450-C454 PolarHBondContact O-SG 3.42Å; E450-C454 VanDerWaalsContact O-SG 3.42Å
451N92.6Very high84.9Confident99 Ų9980 Ų8053%0.52941%0.413SS..Hα-helixtrans-58.5-46.5172.2-73.6-22.8000111.7S447 T453 C454 Q455S447-N451 VanDerWaalsContact O-CB 3.25Å; S447-N451 WeakPolarHBondContact O-CB 3.24Å; S447-N451 PolarHBondContact O-N 3.04Å; S447-N451 PolarHBondContact O-ND2 2.9Å; N451-T453 PolarHBondContact O-N 3.06Å; N451-C454 PolarHBondContact O-N 2.84Å; N451-Q455 WeakPolarHBondContact O-CG 3.43Å; N451-Q455 PolarHBondContact O-N 2.87Å
452S90.7Very high83.2Confident66 Ų6685.4 Ų85.446%0.46243%0.434SS..Hα-helixtrans-60.3-44.3176.5-59.40000111.8L448 F449 E450 Q455 I456L448-S452 WeakPolarHBondContact O-CB 3.31Å; L448-S452 PolarHBondContact O-N 3.19Å; L448-S452 PolarHBondContact O-OG 2.81Å; F449-S452 PolarHBondContact O-N 2.76Å; E450-S452 PolarHBondContact O-N 3.38Å; S452-Q455 PolarHBondContact O-N 3.35Å; S452-I456 VanDerWaalsContact O-CG1 3.32Å; S452-I456 WeakPolarHBondContact O-CG1 3.36Å; S452-I456 PolarHBondContact O-N 3.45Å
453T86.3Confident81.6Confident64 Ų6488.3 Ų88.339%0.39345%0.454SS..Hα-helixtrans-65.8-42.1178.8-50.90000111.7F449 E450 N451 I456 S457F449-T453 WeakPolarHBondContact O-CB 3.35Å; F449-T453 PolarHBondContact O-N 3.45Å; F449-T453 PolarHBondContact O-OG1 3.46Å; E450-T453 PolarHBondContact O-N 3.36Å; N451-T453 PolarHBondContact O-N 3.06Å; T453-I456 PolarHBondContact O-N 3.39Å; T453-S457 PolarHBondContact O-N 2.65Å
454C79Confident79.8Confident70 Ų7093.2 Ų93.247%0.47347%0.467SS..Hα-helixtrans-60.2-47.8173.9-79.60000111.7E450 N451 I456 S457 I458E450-C454 WeakPolarHBondContact O-CB 2.73Å; E450-C454 PolarHBondContact O-N 3.11Å; E450-C454 PolarHBondContact O-SG 3.42Å; E450-C454 VanDerWaalsContact O-SG 3.42Å; N451-C454 PolarHBondContact O-N 2.84Å; C454-I456 VanDerWaalsContact C-N 3.34Å; C454-I456 PolarHBondContact O-N 3.05Å; C454-S457 PolarHBondContact O-N 3.28Å; C454-S457 VanDerWaalsContact O-N 3.12Å; C454-S457 PolarHBondContact O-OG 2.75Å; C454-I458 WeakPolarHBondContact O-CG1 3.32Å; C454-I458 PolarHBondContact O-N 2.92Å
455Q76.2Confident77.9Confident110 Ų11088.8 Ų88.851%0.51445%0.452SS..Hα-helixtrans-59.2-42.2175.9-71.9-173.922.200112.5N451 S452 S457 I458 R459N451-Q455 WeakPolarHBondContact O-CG 3.43Å; N451-Q455 PolarHBondContact O-N 2.87Å; S452-Q455 PolarHBondContact O-N 3.35Å; Q455-S457 VanDerWaalsContact C-N 3.34Å; Q455-S457 PolarHBondContact O-N 2.83Å; Q455-I458 PolarHBondContact O-N 2.73Å; Q455-R459 WeakPolarHBondContact O-CB 3.28Å; Q455-R459 WeakPolarHBondContact O-CG 3.36Å; Q455-R459 PolarHBondContact O-N 2.87Å
456I75.4Confident76Confident91 Ų9194.4 Ų94.447%0.46748%0.476SS..Hα-helixtrans-61.3-42.6175.1-68.3163.8000110.7S452 T453 C454 I458 R459 K460S452-I456 VanDerWaalsContact O-CG1 3.32Å; S452-I456 WeakPolarHBondContact O-CG1 3.36Å; S452-I456 PolarHBondContact O-N 3.45Å; T453-I456 PolarHBondContact O-N 3.39Å; C454-I456 VanDerWaalsContact C-N 3.34Å; C454-I456 PolarHBondContact O-N 3.05Å; I456-I458 PolarHBondContact O-N 2.68Å; I456-R459 PolarHBondContact O-N 2.77Å; I456-K460 HydrophobicContact CG2-CD 4.16Å; I456-K460 WeakPolarHBondContact O-CB 3.47Å; I456-K460 WeakPolarHBondContact O-CG 3.39Å; I456-K460 PolarHBondContact O-N 2.93Å
457S69.8Low74Confident54 Ų5499.5 Ų99.538%0.37850%0.503SS..Hα-helixtrans-64.2-38.7177.181.80000112.8T453 C454 Q455 K460 K461T453-S457 PolarHBondContact O-N 2.65Å; C454-S457 PolarHBondContact O-N 3.28Å; C454-S457 VanDerWaalsContact O-N 3.12Å; C454-S457 PolarHBondContact O-OG 2.75Å; Q455-S457 VanDerWaalsContact C-N 3.34Å; Q455-S457 PolarHBondContact O-N 2.83Å; S457-K460 PolarHBondContact O-N 3.46Å; S457-K461 WeakPolarHBondContact O-CG 3.5Å; S457-K461 PolarHBondContact O-N 3.24Å
458I68.5Low72.1Confident88 Ų8899.8 Ų99.845%0.45150%0.504SS..Hα-helixtrans-67.5-43.8176.4-67.5164.5000110.2C454 Q455 I456 K461 K462C454-I458 WeakPolarHBondContact O-CG1 3.32Å; C454-I458 PolarHBondContact O-N 2.92Å; Q455-I458 PolarHBondContact O-N 2.73Å; I456-I458 PolarHBondContact O-N 2.68Å; I458-K461 PolarHBondContact O-N 2.68Å; I458-K462 HydrophobicContact CG2-CD 4.4Å; I458-K462 WeakPolarHBondContact O-CG 3.39Å; I458-K462 PolarHBondContact O-N 3.49Å
459R62.2Low70.2Confident173 Ų173101.6 Ų101.665%0.65351%0.507SS*.Hα-helixtrans-60.4-44.6174.3-72.9179.8-175.8-175.93.9111.2Q455 I456 K461 K462 T463Q455-R459 WeakPolarHBondContact O-CB 3.28Å; Q455-R459 WeakPolarHBondContact O-CG 3.36Å; Q455-R459 PolarHBondContact O-N 2.87Å; I456-R459 PolarHBondContact O-N 2.77Å; R459-K461 PolarHBondContact O-N 2.91Å; R459-K462 PolarHBondContact O-N 3.29Å; R459-T463 PolarHBondContact O-N 3.14Å; R459-T463 PolarHBondContact O-OG1 2.8Å
460K65.2Low68.3Low140 Ų140104.2 Ų104.261%0.60952%0.522SS*.Hα-helixtrans-64.1-36175.7-74.5-179.4178.4-177.50113.5I456 S457 T463 K464I456-K460 HydrophobicContact CG2-CD 4.16Å; I456-K460 WeakPolarHBondContact O-CB 3.47Å; I456-K460 WeakPolarHBondContact O-CG 3.39Å; I456-K460 PolarHBondContact O-N 2.93Å; S457-K460 PolarHBondContact O-N 3.46Å; K460-T463 WeakPolarHBondContact CA-OG1 3.47Å; K460-T463 PolarHBondContact O-OG1 3.29Å; K460-K464 PolarHBondContact O-N 3.36Å; K460-K464 VanDerWaalsContact O-N 3.11Å
461K62.9Low66.5Low160 Ų160106.4 Ų106.470%0.69654%0.535SS*.Hα-helixtrans-66.3-44.3171.1-76.1-178.2178.6-177.60111.4S457 I458 R459 K464 S465S457-K461 WeakPolarHBondContact O-CG 3.5Å; S457-K461 PolarHBondContact O-N 3.24Å; I458-K461 PolarHBondContact O-N 2.68Å; R459-K461 PolarHBondContact O-N 2.91Å; K461-K464 PolarHBondContact O-N 3.06Å; K461-S465 PolarHBondContact O-N 3.43Å; K461-S465 PolarHBondContact O-OG 3.34Å
462K59.5Low64.7Low143 Ų143109.2 Ų109.262%0.62254%0.543SS*.Hα-helixtrans-63.1-41.8177.1-75.1-176.5176.6-175.70112.4I458 R459 S465 K466I458-K462 HydrophobicContact CG2-CD 4.4Å; I458-K462 WeakPolarHBondContact O-CG 3.39Å; I458-K462 PolarHBondContact O-N 3.49Å; R459-K462 PolarHBondContact O-N 3.29Å; K462-S465 WeakPolarHBondContact CA-OG 3.46Å; K462-S465 PolarHBondContact O-N 2.94Å; K462-S465 PolarHBondContact O-OG 3.04Å; K462-K466 PolarHBondContact O-N 2.73Å
463T60Low62.9Low88 Ų88110 Ų11054%0.5455%0.545SS..Hα-helixtrans-67.3-42.2175.7500000112.4R459 K460 S465 K466 L467R459-T463 PolarHBondContact O-N 3.14Å; R459-T463 PolarHBondContact O-OG1 2.8Å; K460-T463 WeakPolarHBondContact CA-OG1 3.47Å; K460-T463 PolarHBondContact O-OG1 3.29Å; T463-S465 VanDerWaalsContact C-N 3.31Å; T463-S465 PolarHBondContact O-N 3.4Å; T463-K466 PolarHBondContact O-N 3.47Å; T463-K466 VanDerWaalsContact O-N 3.09Å; T463-L467 PolarHBondContact O-N 2.92Å
464K58.2Low61.4Low168 Ų168110.9 Ų110.973%0.7355%0.545SS*.Hα-helixtrans-57.3-42.1171.5-81-167.1171.3-167.70112.6K460 K461 K466 L467 S468K460-K464 PolarHBondContact O-N 3.36Å; K460-K464 VanDerWaalsContact O-N 3.11Å; K461-K464 PolarHBondContact O-N 3.06Å; K464-K466 VanDerWaalsContact C-N 3.29Å; K464-K466 PolarHBondContact O-N 3.38Å; K464-L467 PolarHBondContact O-N 3.41Å; K464-S468 PolarHBondContact O-N 3.12Å; K464-S468 PolarHBondContact O-OG 2.84Å
465S56.6Low60Low61 Ų61113 Ų11343%0.42755%0.55SS.*Hα-helixtrans-69.1-22176.670.10000114.8K461 K462 T463 S468K461-S465 PolarHBondContact O-N 3.43Å; K461-S465 PolarHBondContact O-OG 3.34Å; K462-S465 WeakPolarHBondContact CA-OG 3.46Å; K462-S465 PolarHBondContact O-N 2.94Å; K462-S465 PolarHBondContact O-OG 3.04Å; T463-S465 VanDerWaalsContact C-N 3.31Å; T463-S465 PolarHBondContact O-N 3.4Å; S465-S468 WeakPolarHBondContact CA-OG 3.46Å; S465-S468 PolarHBondContact O-OG 3.19Å
466K56.7Low59Low151 Ų151112.4 Ų112.466%0.65755%0.554SS**Hα-helixtrans-80.5-41.7171.1-84-169.6171-169.90111.1K462 T463 K464 S468 K469 I470K462-K466 PolarHBondContact O-N 2.73Å; T463-K466 PolarHBondContact O-N 3.47Å; T463-K466 VanDerWaalsContact O-N 3.09Å; K464-K466 VanDerWaalsContact C-N 3.29Å; K464-K466 PolarHBondContact O-N 3.38Å; K466-S468 PolarHBondContact O-N 2.96Å; K466-K469 WeakPolarHBondContact O-CA 3.45Å; K466-K469 WeakPolarHBondContact O-CB 3.49Å; K466-K469 PolarHBondContact O-N 3.23Å; K466-I470 WeakPolarHBondContact O-CG1 3.49Å; K466-I470 PolarHBondContact O-N 3.22Å
467L54.9Low57.9Low107 Ų107111.8 Ų111.856%0.5655%0.551SS**Hα-helixtrans-59.5-46.2176.8-139.773000111T463 K464 K469 I470 D471T463-L467 PolarHBondContact O-N 2.92Å; K464-L467 PolarHBondContact O-N 3.41Å; L467-K469 PolarHBondContact O-N 2.92Å; L467-I470 WeakPolarHBondContact O-CA 3.5Å; L467-I470 PolarHBondContact O-N 3.49Å; L467-D471 PolarHBondContact O-N 3.31Å
468S54.4Low57.1Low65 Ų65113.1 Ų113.146%0.45555%0.554SS.*Hα-helixtrans-66.4-9.3174.865.30000115.2K464 S465 K466K464-S468 PolarHBondContact O-N 3.12Å; K464-S468 PolarHBondContact O-OG 2.84Å; S465-S468 WeakPolarHBondContact CA-OG 3.46Å; S465-S468 PolarHBondContact O-OG 3.19Å; K466-S468 PolarHBondContact O-N 2.96Å
469K56.1Low56.4Low156 Ų156115.9 Ų115.968%0.67857%0.565SS**Hα-helixtrans-92.6-36.4167.9-79.8-173.5172.6-169.90111.4K466 L467 K472 T473K466-K469 WeakPolarHBondContact O-CA 3.45Å; K466-K469 WeakPolarHBondContact O-CB 3.49Å; K466-K469 PolarHBondContact O-N 3.23Å; L467-K469 PolarHBondContact O-N 2.92Å; K469-K472 PolarHBondContact O-N 2.88Å; K469-T473 PolarHBondContact O-N 3.11Å; K469-T473 PolarHBondContact O-OG1 2.75Å
470I56.8Low55.8Low88 Ų88111.2 Ų111.245%0.45156%0.563SS.*Hα-helixtrans-65-44175.5-66.7164.6000110.3K466 L467 K472 T473 Q474K466-I470 WeakPolarHBondContact O-CG1 3.49Å; K466-I470 PolarHBondContact O-N 3.22Å; L467-I470 WeakPolarHBondContact O-CA 3.5Å; L467-I470 PolarHBondContact O-N 3.49Å; I470-K472 PolarHBondContact O-N 3.37Å; I470-T473 WeakPolarHBondContact CA-OG1 3.42Å; I470-T473 CarbonylContact O-C 3.58Å; I470-T473 PolarHBondContact O-N 3.16Å; I470-T473 PolarHBondContact O-OG1 3.49Å; I470-Q474 WeakPolarHBondContact O-CB 3.49Å; I470-Q474 PolarHBondContact O-N 2.89Å
471D55Low54.8Low93 Ų93111.5 Ų111.550%0.49757%0.565SS.*Hα-helixtrans-58.8-35.2175.9-64.2-31.8000112.2L467 Q474 L475L467-D471 PolarHBondContact O-N 3.31Å; D471-Q474 PolarHBondContact O-N 3Å; D471-L475 WeakPolarHBondContact O-CG 3.42Å; D471-L475 PolarHBondContact O-N 3.41Å
472K53.8Low54.1Low157 Ų157112.3 Ų112.368%0.68357%0.568SS**Hα-helixtrans-70.9-33.3175.5-75.1-170.4174-167.20113.3K469 I470K469-K472 PolarHBondContact O-N 2.88Å; I470-K472 PolarHBondContact O-N 3.37Å
473T52.9Low53.3Low83 Ų83108.6 Ų108.651%0.50957%0.57SS.*Hα-helixtrans-77.3-30.4171.743.70000112.3K469 I470 V476 I477K469-T473 PolarHBondContact O-N 3.11Å; K469-T473 PolarHBondContact O-OG1 2.75Å; I470-T473 WeakPolarHBondContact CA-OG1 3.42Å; I470-T473 CarbonylContact O-C 3.58Å; I470-T473 PolarHBondContact O-N 3.16Å; I470-T473 PolarHBondContact O-OG1 3.49Å; T473-V476 PolarHBondContact O-N 2.89Å; T473-I477 WeakPolarHBondContact O-CG1 3.38Å; T473-I477 PolarHBondContact O-N 3.31Å
474Q54.5Low52Low83 Ų83111.1 Ų111.139%0.38858%0.58SS.*Hα-helixtrans-68.8-41.3177.8-15865.240.300111.1I470 D471 V476 I477 D478I470-Q474 WeakPolarHBondContact O-CB 3.49Å; I470-Q474 PolarHBondContact O-N 2.89Å; D471-Q474 PolarHBondContact O-N 3Å; Q474-V476 VanDerWaalsContact C-N 3.26Å; Q474-V476 PolarHBondContact O-N 3.09Å; Q474-I477 PolarHBondContact O-N 3.06Å; Q474-D478 WeakPolarHBondContact O-CB 3.35Å; Q474-D478 VanDerWaalsContact O-CG 3.27Å; Q474-D478 PolarHBondContact O-N 3.34Å
475L50.3Low50.7Low113 Ų113108.6 Ų108.659%0.59258%0.584SS**Hα-helixtrans-56.8-36.5173-76.4165.6000113.2D471 E479D471-L475 WeakPolarHBondContact O-CG 3.42Å; D471-L475 PolarHBondContact O-N 3.41Å; L475-E479 WeakPolarHBondContact O-CG 3.49Å; L475-E479 PolarHBondContact O-N 3.39Å; L475-E479 VanDerWaalsContact O-N 3.09Å
476V54.8Low49.6Very low99 Ų99113.6 Ų113.660%0.660%0.604SS**Hα-helixtrans-72.4-32.2176.6176.10000111.9T473 Q474 A480T473-V476 PolarHBondContact O-N 2.89Å; Q474-V476 VanDerWaalsContact C-N 3.26Å; Q474-V476 PolarHBondContact O-N 3.09Å; V476-A480 PolarHBondContact O-N 3.37Å
477I53.5Low48.3Very low77 Ų77111.8 Ų111.840%0.39561%0.61SS.*Hα-helixtrans-76.2-40.1176.2-65.9165.9000110.6T473 Q474 E479 A480 F481T473-I477 WeakPolarHBondContact O-CG1 3.38Å; T473-I477 PolarHBondContact O-N 3.31Å; Q474-I477 PolarHBondContact O-N 3.06Å; I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 3.07Å; I477-A480 WeakPolarHBondContact O-CB 3.39Å; I477-A480 PolarHBondContact O-N 3.31Å; I477-A480 VanDerWaalsContact O-N 3.09Å; I477-F481 HydrophobicContact CG2-CD2 3.88Å; I477-F481 HydrophobicContact CG2-CE2 4.11Å; I477-F481 WeakPolarHBondContact O-CD2 3.48Å; I477-F481 PolarHBondContact O-N 2.9Å
478D53Low47.1Very low83 Ų83113 Ų11344%0.44462%0.622SS.*Hα-helixtrans-70.1-27.6178.7-65.1-14.2000112Q474 K482Q474-D478 WeakPolarHBondContact O-CB 3.35Å; Q474-D478 VanDerWaalsContact O-CG 3.27Å; Q474-D478 PolarHBondContact O-N 3.34Å; D478-K482 PolarHBondContact O-N 3Å
479E54.3Low46Very low145 Ų145119.2 Ų119.268%0.67864%0.641SS**Hα-helixtrans-69.4-37.7166.5-78.5-171.8144.300112.5L475 I477 F481L475-E479 WeakPolarHBondContact O-CG 3.49Å; L475-E479 PolarHBondContact O-N 3.39Å; L475-E479 VanDerWaalsContact O-N 3.09Å; I477-E479 VanDerWaalsContact C-N 3.31Å; I477-E479 PolarHBondContact O-N 3.07Å; E479-F481 PolarHBondContact O-N 3.01Å
480A49.1Very low44.5Very low75 Ų75121.3 Ų121.362%0.6265%0.65SS**Hα-helixtrans-67.6-32.3175.400000113.1V476 I477V476-A480 PolarHBondContact O-N 3.37Å; I477-A480 WeakPolarHBondContact O-CB 3.39Å; I477-A480 PolarHBondContact O-N 3.31Å; I477-A480 VanDerWaalsContact O-N 3.09Å
481F43.5Very low43.3Very low146 Ų146123.8 Ų123.864%0.6467%0.669SS**Hα-helixtrans-84.3-10.6179.7-88.8-81.4000115.3I477 E479 G483 L484I477-F481 HydrophobicContact CG2-CD2 3.88Å; I477-F481 HydrophobicContact CG2-CE2 4.11Å; I477-F481 WeakPolarHBondContact O-CD2 3.48Å; I477-F481 PolarHBondContact O-N 2.9Å; E479-F481 PolarHBondContact O-N 3.01Å; F481-G483 PolarHBondContact O-N 3.21Å; F481-G483 VanDerWaalsContact O-N 3.14Å; F481-L484 PolarHBondContact O-N 3.28Å
482K48.8Very low41.9Very low178 Ų178126 Ų12677%0.77468%0.681SS**THydrogen-bonded Turntrans-64.5-12.6172.9-88.7175.7179.6169.40114.5D478D478-K482 PolarHBondContact O-N 3Å
483G42.6Very low40.7Very low64 Ų64128.1 Ų128.166%0.6669%0.69SS**THydrogen-bonded Turntrans-83.1-6.1179.700000116.3F481F481-G483 PolarHBondContact O-N 3.21Å; F481-G483 VanDerWaalsContact O-N 3.14Å
484L32.3Very low39.6Very low141 Ų141129.1 Ų129.174%0.73870%0.7SS**  trans-119.982.6-173.6-76.2167.4000112.6F481F481-L484 PolarHBondContact O-N 3.28Å
485S30.2Very low38.1Very low116 Ų116134 Ų13481%0.81172%0.723SS**  trans-82.2111173.556.40000112.2
486I35Very low37.1Very low166 Ų166133.6 Ų133.685%0.85173%0.73SS**  trans-125.7130.7159.3-62.6-177.2000109
487S27.9Very low35.9Very low112 Ų112137.5 Ų137.578%0.78374%0.741SS**  trans-101.5123.6-170.9164.40000111.8
488T30.2Very low34.5Very low132 Ų132143.4 Ų143.481%0.8176%0.764SS**  trans-144102161.133.30000113.3
489K31.7Very low33.4Very low197 Ų197147.3 Ų147.386%0.85779%0.785SS**  trans28.5122.5146.2-65.3179.9177.6176.20120.7
490K25.5Very low32.3Very low200 Ų200149.4 Ų149.487%0.8779%0.792SS**  trans-54.7143.9155.4-68.4173.2172.5175.50112.4
491V30.1Very low31.4Very low139 Ų139150.8 Ų150.884%0.84280%0.797SS**  trans-132137.9154.3177.30000108.2
492N25.5Very low31.2Very low140 Ų140148.8 Ų148.875%0.74980%0.799SS**  trans-110.6170.3178.5-81.5-15000110.5
493K28.6Very low30.2Very low202 Ų202148 Ų14888%0.87880%0.803SS**  trans78.2145.4178.9-76-174.6170-173.90115.2
494S29.4Very low29.5Very low104 Ų104152.4 Ų152.473%0.72781%0.81SS**  cis-150.21512.936.40000114.1
495E24.6Very low29.2Very low184 Ų184154.1 Ų154.186%0.8682%0.819SS**  trans-20.4132.4146.7-60.4163.3129.300117.9
496S29Very low29.1Very low105 Ų105153.2 Ų153.273%0.73482%0.819SS**  -164.9145.5126.158.90000112.1
497E28.9Very low28.8Very low181 Ų181150.9 Ų150.985%0.84682%0.817SS**  trans50.9102.2156.4-67.2164.4171.200118.6
498K25.3Very low28.8Very low201 Ų201154 Ų15487%0.87482%0.824SS**  4598.270.6-70.3-177.4177.7168.50114.2
499D29Very low28.7Very low166 Ų166153.6 Ų153.689%0.88882%0.822SS**  trans-138.5155.9139.2-133.7-24.8000112.4
500K30.1Very low28.6Very low188 Ų188149.9 Ų149.982%0.81781%0.811SS**  trans-110134.2-161.5-64.3171.2-179.3169.40112.7
501S31.7Very low28.7Very low104 Ų104148.5 Ų148.573%0.72781%0.812SS**  trans-71.6162.2150.170.50000109.4
502P39.1Very low28.7Very low105 Ų105147.7 Ų147.768%0.68281%0.807SS**  -154172.171.940.5-20.1000117.8
503D28Very low28.8Very low160 Ų160152.8 Ų152.886%0.85682%0.816SS**  trans-51.9133.7165.2-57.2-82.5000114.1
504I26.9Very low28.9Very low158 Ų158148.9 Ų148.981%0.8180%0.8SS**  trans-132.584.5166.4-55.1179.5000109.3
505L26.8Very low28.8Very low176 Ų176148.6 Ų148.692%0.92180%0.796SS**  trans-159.338.7167.9-118.2164.9000114.4
506A28.1Very low28.9Very low98 Ų98145.8 Ų145.881%0.8179%0.792SS**SBendtrans-137.824.9-174.700000115.9
507S27.9Very low28.8Very low116 Ų116152.2 Ų152.281%0.81180%0.8SS**  trans-135.129.8-169.6-144.20000117
508L28.3Very low28.7Very low177 Ų177152.2 Ų152.293%0.92780%0.8SS**SBendtrans-124.722.4-178.7-82.2173.1000115.7
509T29.2Very low28.7Very low125 Ų125147.1 Ų147.177%0.76779%0.789SS**SBendtrans-125.26.5-177.348.20000115.9
510N29.2Very low28.5Very low118 Ų118145.8 Ų145.863%0.63178%0.782SS**  trans-113.637.9-174.8-81.6-49.1000114.6R173R173-N510 PolarHBondContact NH2-OD1 3.46Å
511L27.1Very low28.4Very low171 Ų171145 Ų14590%0.89579%0.787SS**  trans-129.153.6176.8-148.181.7000114.6
512V29Very low28Very low122 Ų122145.1 Ų145.174%0.73979%0.788SS**  trans-132.588.4155.7-175.10000108.2
513R29.5Very low27.5Very low248 Ų248144.8 Ų144.894%0.93679%0.788SS**  trans-89.7112.3159.3-75.6-171.5-179.5-166.11.1107.3
514H29.2Very low27.3Very low119 Ų119144.1 Ų144.155%0.55178%0.783SS**PPolyproline II helixtrans-73.7141.7156.3-80.4-80.2000108.6V516H514-V516 PolarHBondContact O-N 3.05Å
515P28.4Very low27.3Very low99 Ų99144.2 Ų144.264%0.64379%0.785SS**PPolyproline II helixtrans-68.5126.8174.828.2-32.4000109.5W517P515-W517 PolarHBondContact O-N 2.8Å
516V27.3Very low27.2Very low125 Ų125143.9 Ų143.976%0.75878%0.779SS**PPolyproline II helixtrans-61.8124.8163.8178.50000106.9H514 E518H514-V516 PolarHBondContact O-N 3.05Å; V516-E518 HydrophobicContact CG1-CG 4.17Å; V516-E518 PolarHBondContact O-N 3.33Å
517W25.6Very low27.3Very low239 Ų239146.3 Ų146.391%0.90578%0.778SS**  trans-79.695166.3-78.148.5000106.9P515 S519P515-W517 PolarHBondContact O-N 2.8Å; W517-S519 PolarHBondContact O-N 3.04Å
518E27.1Very low27.3Very low182 Ų182149.5 Ų149.585%0.8578%0.78SS**  trans-69.6120.2164.5-73.6-179.8157.900108.2V516V516-E518 HydrophobicContact CG1-CG 4.17Å; V516-E518 PolarHBondContact O-N 3.33Å
519S24.7Very low27.1Very low93 Ų93151.5 Ų151.565%0.6578%0.777SS**  trans-76.7151165.250.20000110W517W517-S519 PolarHBondContact O-N 3.04Å
520D26.2Very low27.2Very low139 Ų139151.9 Ų151.974%0.74378%0.779SS**  trans71.996.5160.1-46.6-35.3000117.7
521N27Very low27Very low172 Ų172152.2 Ų152.292%0.9278%0.781SS**  trans-144.290.7135.5-102.5-35.2000109.3
522S23.9Very low27.1Very low105 Ų105155 Ų15573%0.73478%0.781SS**  trans-110.780.616561.20000109.4
523S27.1Very low27Very low98 Ų98155.1 Ų155.169%0.68578%0.777SS**  trans-74.1116.3147.2480000106.2
524I25.5Very low27Very low146 Ų146150.1 Ų150.175%0.74977%0.769SS**  45.489.368.2-51.4179000109.9
525D26.9Very low27.2Very low160 Ų160150.9 Ų150.986%0.85678%0.777SS**  trans-139.2111.5137.3-89.9-38.3000106.5
526E24.1Very low27.4Very low169 Ų169151.5 Ų151.579%0.7978%0.779SS**  trans-93.5171.5159.2-69.2-174.8143.400108.2
527N29.2Very low27.6Very low149 Ų149152.1 Ų152.180%0.79778%0.778SS**  trans84.7137.4-172.7-44.2-40.7000113.4
528E29.6Very low28Very low183 Ų183151.3 Ų151.386%0.85578%0.775SS**  cis-152.1159.11-136.6170.1161.500111.3
529Y23.7Very low28.3Very low219 Ų219148.3 Ų148.386%0.85977%0.765SS**  trans-84.3148.6167.8-118.5-100.5000109.3
530V30.5Very low28.8Very low134 Ų134151.4 Ų151.481%0.81277%0.768SS**  trans160.8133.3130.11620000111.7
531D25.1Very low29.1Very low124 Ų124151.8 Ų151.866%0.66376%0.764SS**  trans-44.7156.5171.4-99.4-57.8000117.5
532Y29.5Very low29.3Very low230 Ų230150.3 Ų150.390%0.90275%0.751SS**  -162.6144114.1-114.1-77.6000112.8
533N26.1Very low29.8Very low125 Ų125153.7 Ų153.767%0.66876%0.758SS**  trans-89.3178.1-175.1-87-68.3000114.6
534N30.9Very low30Very low142 Ų142157 Ų15776%0.75977%0.767SS**  trans103.5137.3163.2-57.4-4000114.6
535D31.8Very low30.6Very low135 Ų135155.3 Ų155.372%0.72277%0.765SS**  cis-163.8174.311.2-138.8-35.1000115.5
536V34.1Very low31Very low112 Ų112157.2 Ų157.268%0.67977%0.769SS**  trans89.193.2157.6-160.40000122.1
537N31.1Very low31.3Very low139 Ų139153.8 Ų153.874%0.74376%0.764SS**  43.9134128.9-62-49.5000122
538R34Very low31.3Very low221 Ų221153.9 Ų153.983%0.83476%0.763SS**  -165.6141.865.2-85.1178.6169.5146.1-1.1114
539N32.7Very low31.5Very low119 Ų119152.5 Ų152.564%0.63676%0.759SS**  trans47.7134.1139-584.5000119.8
540H34.8Very low32Very low158 Ų158147.3 Ų147.373%0.73175%0.752SS**  cis-165.7177.40.7-80.4-41.2000106.5
541K32.6Very low32.1Very low148 Ų148149.8 Ų149.864%0.64376%0.755SS**  cis-156.5169.41.8-136.2-171.3-176.9-140.50110.1
542E31.9Very low32.3Very low140 Ų140151.4 Ų151.465%0.65476%0.761SS**  trans13.2141.9139.7-75163.8-152.200121.8
543M33.5Very low32.5Very low177 Ų177148.3 Ų148.387%0.87276%0.76SS**  cis-143171.48.8-71.6-158.571.800113.3
544L31.4Very low32.7Very low167 Ų167148.7 Ų148.787%0.87476%0.762SS**  trans-92.7169.7-179.7-78166000114.7
545P39.1Very low32.7Very low110 Ų110145.6 Ų145.671%0.71476%0.764SS**  trans-111169.5-174.741.9-33.2000115
546E34.3Very low32.6Very low201 Ų201149.1 Ų149.194%0.93977%0.768SS**  trans-136.4161.4164.3-78-164.7154.400112.8
547S30.8Very low32.5Very low97 Ų97151.1 Ų151.168%0.67878%0.775SS**  trans-116.6175.2-146.949.60000115.3
548I30.7Very low32.3Very low151 Ų151149.5 Ų149.577%0.77478%0.775SS**  trans68.7133.7163.5-17.9-173.7000113.6
549I31.9Very low32.1Very low153 Ų153147 Ų14779%0.78578%0.778SS**  cis-153.6150.946.7-69.8164.6000110.5
550P36.2Very low31.9Very low110 Ų110146.2 Ų146.271%0.71478%0.782SS**  trans-98.3147.2174.937-31.7000113.6
551E31.3Very low31.7Very low187 Ų187146.8 Ų146.887%0.87479%0.785SS**  trans-155.4151.7154.9-129.6168.9-143.900115.7
552M30.3Very low31.5Very low157 Ų157145.9 Ų145.977%0.77379%0.791SS**  trans-25.1149.9177.6-63.3174.4169.400120.8
553N33Very low31.4Very low166 Ų166149 Ų14989%0.88880%0.798SS**  -145.8136.7126.5-133.9-20.3000112.5
554N30.3Very low31.1Very low132 Ų132147.5 Ų147.571%0.70679%0.794SS**  trans-90.3152.8-178.2-84.6-38.9000111.8
555G30.2Very low31.2Very low78 Ų78147.4 Ų147.480%0.80479%0.789SS**  trans-151.3103.1170.100000111
556Y31.4Very low30.7Very low209 Ų209149.9 Ų149.982%0.8279%0.794SS**  trans-71.1139.8177.8-76.1-107.1000111.3
557N31.4Very low30.5Very low153 Ų153143.9 Ų143.982%0.81879%0.787SS**  -169.3134.2111.1-99.6-2.9000112.2
558S26.8Very low30.3Very low105 Ų105150.7 Ų150.773%0.73480%0.798SS**  trans-82145.7161.550.30000110.1
559D30.6Very low30.3Very low169 Ų169152 Ų15290%0.90480%0.801SS**  trans-150.4151.4147.3-101.8-35.9000111
560S27.1Very low30.3Very low102 Ų102149.8 Ų149.871%0.71380%0.799SS**  trans-140.3111.9-168.458.20000112
561E30.7Very low30.1Very low171 Ų171150.2 Ų150.280%0.79980%0.801SS**  trans-135.6123.5163.8-62.9-171.8149.400105.9
562V28.2Very low30.6Very low128 Ų128147 Ų14778%0.77680%0.797SS**  cis60.28137.6-166.10000112.6
563Y30.3Very low30.7Very low205 Ų205145.2 Ų145.280%0.80480%0.796SS**  trans-131.6118.8150.2-103.3-85.6000110.3
564N26.9Very low30.3Very low147 Ų147142.8 Ų142.879%0.78679%0.793SS**  trans-143.493.4179.2-141.21.3000108.4
565H34.3Very low30.3Very low165 Ų165144 Ų14476%0.76480%0.799SS**  trans-153.8112.3165.8-87.4-60.6000107
566I28.9Very low30.1Very low161 Ų161145.2 Ų145.283%0.82679%0.794SS**  55.910283.9-57175.4000111.9
567G29.8Very low29.9Very low76 Ų76139.4 Ų139.478%0.78479%0.79SS**  trans-170.8114.5170.600000110.6
568R26Very low29.6Very low240 Ų240138 Ų13891%0.90679%0.786SS**  trans-72149.3169.7-66.3167.9168.9166.6-5.3108.9
569E31.3Very low29.7Very low179 Ų179141.5 Ų141.584%0.83679%0.788SS**  170.2137.8112.8-93.9176.7-170.900114.9
570S32.1Very low29.3Very low106 Ų106138.9 Ų138.974%0.74178%0.779SS**  trans60.9134.7150.367.80000121.9
571P31.8Very low29.3Very low119 Ų119141.3 Ų141.377%0.77378%0.783SS**PPolyproline II helixtrans-87.2145.1162.635.4-31.5000111.5
572P41.9Very low29.1Very low120 Ų120138.2 Ų138.278%0.77978%0.78SS**PPolyproline II helixtrans-78.6156.4170.432.3-33.1000112
573P32.2Very low29.1Very low118 Ų118137.7 Ų137.777%0.76678%0.782SS**PPolyproline II helixtrans-95.2165.5-156.136.8-37.6000115.3
574S24.5Very low29.1Very low116 Ų116134 Ų13481%0.81178%0.784SS**PPolyproline II helixtrans-58.7126.7162.853.50000112.4
575L30.6Very low29.1Very low158 Ų158134.6 Ų134.683%0.82779%0.786SS**  trans-153.7121.9153.3-104.5178.1000112.5
576S24.6Very low28.7Very low102 Ų102131.3 Ų131.371%0.71378%0.782SS**  trans39.7116.6144.362.30000121.6
577A28.8Very low28.5Very low87 Ų87128.7 Ų128.772%0.71978%0.777SS**  trans-152.784.6130.100000110.8F579A577-F579 PolarHBondContact O-N 3.18Å
578V24.7Very low28.4Very low123 Ų123134 Ų13475%0.74578%0.782SS**  trans-73.1118.3164172.10000107.7T580V578-T580 HydrophobicContact CG1-CG2 4.23Å
579F27.6Very low28.5Very low179 Ų179130.4 Ų130.479%0.78578%0.78SS**  trans-115.972.9166.9-95.7-75.6000110.9A577 L581A577-F579 PolarHBondContact O-N 3.18Å; F579-L581 HydrophobicContact CD1-CD1 4.13Å; F579-L581 HydrophobicContact CD1-CG 4.42Å; F579-L581 HydrophobicContact CE1-CD1 4.35Å
580T22.6Very low28.2Very low114 Ų114131 Ų13170%0.69978%0.78SS**  trans-70.1117.9148.842.60000108.5V578V578-T580 HydrophobicContact CG1-CG2 4.23Å
581L28.2Very low27.9Very low154 Ų154131.2 Ų131.281%0.80678%0.781SS**  trans-126.3110.3161.6-92.5171.5000110.4F579F579-L581 HydrophobicContact CD1-CD1 4.13Å; F579-L581 HydrophobicContact CD1-CG 4.42Å; F579-L581 HydrophobicContact CE1-CD1 4.35Å
582S26.8Very low27.7Very low106 Ų106131.3 Ų131.374%0.74178%0.78SS**  trans-67.2158.8175.9-43.20000112
583S26.3Very low27.1Very low117 Ų117134.9 Ų134.982%0.81878%0.783SS**  trans-60.1158.1159-46.90000111.1
584P31.2Very low26.8Very low128 Ų128134.7 Ų134.783%0.83179%0.785SS**  -135.3169.1121.935.7-24.8000114.1
585L26.6Very low26.9Very low158 Ų158136.1 Ų136.183%0.82778%0.783SS**  trans-96.9152.9-172.5-146.779.2000112
586S25.6Very low26.9Very low97 Ų97136.1 Ų136.168%0.67878%0.783SS**  trans62.7136.9148.1560000122.6
587S26.2Very low26.9Very low105 Ų105136.7 Ų136.773%0.73479%0.787SS**  trans56.297.4149.260.30000119.4
588E27.1Very low26.9Very low187 Ų187142.1 Ų142.187%0.87479%0.794SS**  175.6120.4100.2-93-171.3148.400110.5
589L28.5Very low27Very low166 Ų166147.7 Ų147.787%0.86980%0.802SS**  trans-165.474.4155.6-108.2174.6000109.2
590K25Very low26.9Very low192 Ų192144.8 Ų144.884%0.83580%0.804SS**  trans-78.4160.5154.6-76.4177.4177.51730108.4
591S25.6Very low27.1Very low110 Ų110144.4 Ų144.477%0.76981%0.806SS**  trans54.784173.461.90000117.7
592T28Very low27.1Very low121 Ų121142.1 Ų142.174%0.74280%0.803SS**  -173.290123.935.80000109.9
593F28.9Very low27.2Very low195 Ų195144.3 Ų144.386%0.85581%0.806SS**  trans-171.246.5148.3-103.5-61.7000111.6N595F593-N595 VanDerWaalsContact C-N 3.25Å; F593-N595 PolarHBondContact O-N 2.9Å
594S25.6Very low27.3Very low114 Ų114143.9 Ų143.980%0.79780%0.803SS**  trans-78.273.4166.253.30000110
595N27.4Very low27.1Very low146 Ų146145.1 Ų145.178%0.78180%0.802SS**  trans-17669.8164.4-97.6-27.9000112F593F593-N595 VanDerWaalsContact C-N 3.25Å; F593-N595 PolarHBondContact O-N 2.9Å
596L29Very low27.3Very low158 Ų158144.4 Ų144.483%0.82780%0.799SS**  trans-14926.3163.5-109169.3000113.3
597S26.3Very low27.5Very low114 Ų114149.7 Ų149.780%0.79781%0.81SS**  trans-99.156.9172.851.90000111.7
598K27.6Very low27.5Very low200 Ų200151.8 Ų151.887%0.8781%0.813SS**  trans-163.765.9174.9-110.5167.2-167.3179.60112.3
599R27.1Very low27.8Very low240 Ų240149.2 Ų149.291%0.90681%0.805SS**  trans-160.851.3163.7-115.9172.2-168.7-166.92.9113.1
600S26.5Very low27.8Very low119 Ų119147.3 Ų147.383%0.83280%0.802SS**  trans-118.554.9175.957.60000110.9
601S26.6Very low28Very low105 Ų105149 Ų14973%0.73480%0.803SS**SBendtrans-163.139.3-178.159.20000113.6
602S27Very low28.3Very low107 Ų107151.8 Ų151.875%0.74881%0.809SS**  trans-158.149.8177.4-63.10000113.9
603L29.6Very low28.2Very low151 Ų151154.5 Ų154.579%0.79181%0.813SS**  trans-132.57.6169.1-82.9178.3000114.7N605 L606L603-N605 VanDerWaalsContact C-N 3.34Å; L603-N605 PolarHBondContact O-N 2.79Å; L603-L606 HydrophobicContact CD2-CD1 4.22Å
604S27.2Very low28.1Very low108 Ų108153.1 Ų153.176%0.75581%0.814SS**SBendtrans-90.162.7167.956.40000110.8
605N28.9Very low28.2Very low154 Ų154157 Ų15782%0.82482%0.82SS**  trans-171.541.5168.7-99-19.2000113.4L603L603-N605 VanDerWaalsContact C-N 3.34Å; L603-N605 PolarHBondContact O-N 2.79Å
606L30.7Very low28Very low144 Ų144156.8 Ų156.875%0.75482%0.824SS**  trans-122.15.1173.3-95.8163.5000114.5L603L603-L606 HydrophobicContact CD2-CD1 4.22Å
607F28.6Very low27.8Very low207 Ų207154.4 Ų154.491%0.90882%0.82SS**  trans-99.770164.9-76.7-79.4000110.2
608N27.3Very low27.8Very low150 Ų150157.2 Ų157.280%0.80283%0.826SS**  trans-162.483.8163.7-99.9-28.6000109.1
609N31.9Very low27.7Very low133 Ų133156.2 Ų156.271%0.71183%0.829SS**  trans-137.991.7174.8-159.1-15.9000109.3R611N609-R611 PolarHBondContact O-N 3.24Å
610P29.4Very low27.6Very low125 Ų125149.6 Ų149.681%0.81282%0.819SS**THydrogen-bonded Turntrans-79.462-173.534-35.9000111.1
611R29.9Very low27.6Very low227 Ų227151.4 Ų151.486%0.85782%0.82SS**THydrogen-bonded Turntrans-143.113.6176.3-118.5174.6179.1162.30.4114.8N609N609-R611 PolarHBondContact O-N 3.24Å
612L30.4Very low27.6Very low169 Ų169152.2 Ų152.289%0.88583%0.825SS**SBendtrans-130.232.6173.4-73.5172.5000112.5
613Q26.9Very low27.6Very low179 Ų179156.7 Ų156.784%0.83683%0.832SS**  trans-11652.6170.6-76.5-168.8-2200111.8
614L26.6Very low27.4Very low166 Ų166155.7 Ų155.787%0.86983%0.831SS**SBendtrans-146.556.3170.5-86.1-178.8000111.5
615Q27.2Very low27.3Very low195 Ų195156.1 Ų156.191%0.91183%0.834SS**SBendtrans-16437.6160.1-119.1172.19.100115.7
616T24.3Very low27.1Very low141 Ų141156.7 Ų156.787%0.86583%0.832SS**SBendtrans-139.257.8171.456.10000112.2
617S24.3Very low26.9Very low109 Ų109161 Ų16176%0.76284%0.838SS**  trans-159.867.317361.80000112.2
618L25.8Very low26.7Very low173 Ų173160.1 Ų160.191%0.90683%0.834SS**  trans-169.297.3157.5-101.1179.2000107.3
619L26.3Very low26.7Very low178 Ų178162.2 Ų162.293%0.93284%0.836SS**  trans17175.8153-95.6172.1000108.7
620S24.5Very low26.5Very low102 Ų102160.5 Ų160.571%0.71383%0.833SS**  trans-122.3143.8156.953.80000108.1
621N26.8Very low26.5Very low157 Ų157163.4 Ų163.484%0.8484%0.835SS**  trans72.895.9174.6-52.7-17.6000117.3
622S27Very low26.5Very low121 Ų121158.2 Ų158.285%0.84683%0.833SS**  trans-15986.5130.9290000110.6
623F25.7Very low26.3Very low202 Ų202157.1 Ų157.189%0.88683%0.828SS**  trans-90.8136.2154.9-107.3-94.2000107.8
624V25.2Very low26.3Very low129 Ų129155.4 Ų155.478%0.78282%0.824SS**  trans57.5107.2161.1-173.20000117.2
625S26.3Very low26.4Very low117 Ų117156 Ų15682%0.81883%0.827SS**  -156.6147.2116.2-160.60000111.5
626E23.5Very low26.4Very low167 Ų167151.2 Ų151.278%0.7882%0.815SS**  trans-72.9139.8-176.7-53.5170.7123.100111.5
627R26.8Very low26.7Very low235 Ų235150.8 Ų150.889%0.88782%0.815SS**  trans-136119149.1-74.1-163.6-174.3177.15.1111.7
628K24Very low26.8Very low188 Ų188150.4 Ų150.482%0.81781%0.813SS**  trans-66.7137.3166.5-61.9161.9178.7169.60109.2
629F28.4Very low27Very low193 Ų193149.6 Ų149.685%0.84681%0.807SS**  trans-136.1139.1144.2-88-77.2000108.7
630P27.7Very low27Very low98 Ų98150.6 Ų150.664%0.63680%0.804SS**  trans-89.1-177.4-179.537-34.6000112.1
631H29.2Very low27.1Very low186 Ų186150.8 Ų150.886%0.86181%0.806SS**  trans76.6132.9-173.9-47.4-79.3000113.8
632S29.3Very low27.1Very low117 Ų117148 Ų14882%0.81880%0.798SS**  cis-131145.83.451.40000111.5
633N27Very low27Very low146 Ų146148.7 Ų148.778%0.78180%0.802SS**  trans-104.2142.3179-121.9-13.3000109.6
634L26.8Very low27Very low143 Ų143144.3 Ų144.375%0.74980%0.797SS**  trans55.8110.8149.5-57.4167.7000118.7
635L28.3Very low27.2Very low179 Ų179144 Ų14494%0.93780%0.8SS**  trans-143.6107.8132.8-101.7176000110.3
636S27.1Very low27.4Very low94 Ų94143.6 Ų143.666%0.65780%0.797SS**  trans-95.4144.8163.940.60000109.4
637P31Very low27.5Very low132 Ų132141.7 Ų141.786%0.85780%0.801SS**  trans-93.7135.9-176.434.5-32.6000112.8
638S25.6Very low27.6Very low102 Ų102136.2 Ų136.271%0.71380%0.799SS**  trans-152.8124.6169.260.60000114.2
639I30.4Very low27.7Very low155 Ų155133.4 Ų133.480%0.79580%0.797SS**  trans77.7105.9139.8-60168.2000118.7
640F25.6Very low27.9Very low199 Ų199130.3 Ų130.387%0.87379%0.79SS**  45.8148.8129.7-91.5-92.8000124.5
641S27.5Very low27.9Very low107 Ų107133.3 Ų133.375%0.74879%0.793SS**  trans76.2139.5156.6-124.70000116.5
642S25.6Very low28Very low97 Ų97132.6 Ų132.668%0.67880%0.795SS**  cis-178.8140.8-17.838.80000108
643C26.7Very low28.1Very low137 Ų137130.4 Ų130.493%0.92679%0.792SS**  trans-169.9144.1139.5-107.50000111.1
644S24.9Very low28Very low110 Ų110131.9 Ų131.977%0.76980%0.798SS**  trans-129.1-177.7-170.951.50000111.1
645S30.5Very low28.2Very low121 Ų121132.6 Ų132.685%0.84680%0.8SS**  trans84.8139.9-17578.30000114.8
646S30.4Very low28.2Very low110 Ų110130.4 Ų130.477%0.76980%0.795SS**  cis-141.4136.92.639.50000108.9
647C24.6Very low28.1Very low126 Ų126132.2 Ų132.285%0.85180%0.797SS**  7810067.2-159.30000114.8
648S30Very low27.8Very low121 Ų121135.5 Ų135.585%0.84680%0.8SS**  trans-168.7153134.353.40000110.9
649T25.8Very low27.7Very low128 Ų128134.4 Ų134.479%0.78579%0.793SS**  trans-122.7142.9-174.148.50000109.8
650D31.4Very low27.5Very low128 Ų128133.4 Ų133.468%0.68479%0.794SS**  -163.6149.6126.5-115.1-24.6000115.3
651K28.7Very low27.5Very low162 Ų162129.7 Ų129.770%0.70479%0.792SS**  trans-9.2131.6165.2-58.2145.1-166.6129.50119.2
652D31.6Very low27.3Very low170 Ų170136.2 Ų136.291%0.90980%0.801SS**  -173.1158.7105.4-95.5-22.5000112.4
653G30.7Very low27.4Very low72 Ų72138.6 Ų138.674%0.74280%0.804SS**  trans91.874.9162.200000118.3I655G653-I655 PolarHBondContact O-N 2.97Å
654I25.5Very low27.4Very low177 Ų177139.6 Ų139.691%0.90880%0.799SS**  trans-83.494162.8-59.8173.4000109.2
655I31.2Very low27.3Very low157 Ų157142.8 Ų142.881%0.80580%0.801SS**  trans-132.1135.4157-62.3-176000107.9G653 D657G653-I655 PolarHBondContact O-N 2.97Å; I655-D657 PolarHBondContact O-N 2.95Å
656T26.5Very low27.1Very low134 Ų134145.9 Ų145.982%0.82280%0.799SS**  trans-60.3121.1-164.450.30000114.9
657D25.3Very low26.8Very low131 Ų131150.7 Ų150.770%0.70181%0.807SS**  trans-130126.8162.6-166.9-11.9000110.3I655 S659I655-D657 PolarHBondContact O-N 2.95Å; D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.43Å; D657-S659 PolarHBondContact OD1-N 3.02Å; D657-S659 PolarHBondContact OD1-OG 3.4Å; D657-S659 PolarHBondContact OD2-OG 3.32Å
658H25.9Very low26.8Very low201 Ų201155.9 Ų155.993%0.93181%0.809SS**  trans-107.954.3-175.7-114.3-55000110.2
659S23.4Very low26.7Very low80 Ų80155 Ų15556%0.55980%0.798SS**  trans-144.428.2-168.771.60000119.1D657D657-S659 VanDerWaalsContact OD1-CB 3.3Å; D657-S659 WeakPolarHBondContact OD1-CB 3.43Å; D657-S659 PolarHBondContact OD1-N 3.02Å; D657-S659 PolarHBondContact OD1-OG 3.4Å; D657-S659 PolarHBondContact OD2-OG 3.32Å
660V25.7Very low26.8Very low134 Ų134151.7 Ų151.781%0.81278%0.779SS**  trans-128.889.3168.7-167.10000114.3
661S25.8Very low26.8Very low120 Ų120154.8 Ų154.884%0.83979%0.786SS**  trans-129.562.1157.3-81.30000110.8I663S661-I663 VanDerWaalsContact C-N 3.28Å; S661-I663 PolarHBondContact O-N 3.19Å; S661-I663 VanDerWaalsContact O-N 3.16Å
662R24Very low26.9Very low245 Ų245151.2 Ų151.293%0.92578%0.778SS**  trans-80.477.6161.2-82-175.5174.4164.50.1109.5
663I27.3Very low27.1Very low147 Ų147147.5 Ų147.575%0.75476%0.758SS**  trans-91136.9160.2-67.9-180000108.4S661 E665S661-I663 VanDerWaalsContact C-N 3.28Å; S661-I663 PolarHBondContact O-N 3.19Å; S661-I663 VanDerWaalsContact O-N 3.16Å; I663-E665 VanDerWaalsContact C-N 3.34Å; I663-E665 PolarHBondContact O-N 3.34Å
664I25.4Very low27.3Very low158 Ų158152.8 Ų152.881%0.8176%0.76SS**  trans-74.582.7-173-59165.4000109.8
665E24.5Very low27.9Very low177 Ų177148.9 Ų148.983%0.82774%0.741SS**  trans-86106.1158.2-76.9-146.3129.400109.9I663 F667I663-E665 VanDerWaalsContact C-N 3.34Å; I663-E665 PolarHBondContact O-N 3.34Å; E665-F667 PolarHBondContact O-N 3.27Å
666K25.1Very low28.2Very low185 Ų185148 Ų14880%0.80473%0.728SS**  trans-55.1125.4167.2-78.8170.9171.5169.80109.1R668K666-R668 VanDerWaalsContact C-N 3.27Å; K666-R668 PolarHBondContact O-N 3.09Å
667F24.1Very low28.6Very low212 Ų212146.7 Ų146.793%0.9372%0.716SS**  trans-54.987.4166.7-83.7-91000111.2E665 T669E665-F667 PolarHBondContact O-N 3.27Å; F667-T669 PolarHBondContact O-N 2.82Å
668R25Very low28.8Very low235 Ų235143.5 Ų143.589%0.88771%0.713SS**  trans-77.2100.8164.8-117.7-177.9180172.50.8106.7K666 P670K666-R668 VanDerWaalsContact C-N 3.27Å; K666-R668 PolarHBondContact O-N 3.09Å; R668-P670 WeakPolarHBondContact O-CD 3.47Å
669T27.1Very low28.9Very low101 Ų101140.5 Ų140.562%0.6271%0.709SS**  trans-54.4121.1172.441.70000109.7F667 K671F667-T669 PolarHBondContact O-N 2.82Å; T669-K671 PolarHBondContact O-N 3.45Å
670P28.8Very low29.1Very low60 Ų60143 Ų14339%0.3972%0.721SS.*  trans-63.8122.4-179.2-21.732.1000109.5K21 R668 D675K21-P670 PolarHBondContact NZ-O 3.04Å; R668-P670 WeakPolarHBondContact O-CD 3.47Å; P670-D675 HydrophobicContact CB-CB 4.42Å
671K30.4Very low29.1Very low192 Ų192144.2 Ų144.284%0.83572%0.722SS**  trans-91.3-3.4-175.2-75.8-170.6174.8-175.70114T669T669-K671 PolarHBondContact O-N 3.45Å
672T31.3Very low29Very low87 Ų87148.7 Ų148.753%0.53472%0.722SS.*SBendtrans-140.8143.8-17522.20000113.4K674 D675T672-K674 PolarHBondContact O-N 3.39Å; T672-D675 PolarHBondContact O-N 2.98Å; T672-D675 PolarHBondContact OG1-OD2 3.3Å
673L37.1Very low29Very low92 Ų92150.2 Ų150.248%0.48274%0.736SS.*G310 helixtrans-60.2-27.4178.1-141.197.3000112.3D675 R676L673-D675 PolarHBondContact O-N 3.09Å; L673-R676 PolarHBondContact O-N 3.45Å; L673-R676 VanDerWaalsContact O-N 3.12Å
674K34.8Very low29.1Very low183 Ų183150.4 Ų150.480%0.79674%0.735SS**G310 helixtrans-60.2-27.9179.7-161.2175.8-177.9-175.80113.2T672T672-K674 PolarHBondContact O-N 3.39Å
675D36.7Very low29.3Very low95 Ų95150 Ų15051%0.50873%0.731SS.*G310 helixtrans-83.1-13-179.2-47.3-47.8000112.6P670 T672 L673P670-D675 HydrophobicContact CB-CB 4.42Å; T672-D675 PolarHBondContact O-N 2.98Å; T672-D675 PolarHBondContact OG1-OD2 3.3Å; L673-D675 PolarHBondContact O-N 3.09Å
676R38.2Very low29.6Very low139 Ų139148.5 Ų148.553%0.52573%0.726SS.*THydrogen-bonded Turntrans-94.2-12.9178.7-81.4-174.4163.6-170.1-8.5114.2K21 L673K21-R676 PolarHBondContact O-NH1 3.14Å; K21-R676 PolarHBondContact O-NH2 3.49Å; L673-R676 PolarHBondContact O-N 3.45Å; L673-R676 VanDerWaalsContact O-N 3.12Å
677L35.6Very low29.8Very low107 Ų107146.4 Ų146.456%0.5672%0.722SS**SBendtrans-101.816.9-179.7-72.3169.5000113.2V436V436-L677 HydrophobicContact CG1-CD1 4.04Å
678G28.7Very low30.2Very low63 Ų63142.3 Ų142.365%0.64971%0.709SS**  trans-9213.4-169.900000117.3
679V28.6Very low30.5Very low138 Ų138136.1 Ų136.184%0.83670%0.697SS**  trans-143.262.2179-162.80000112.5
680V27.6Very low30.8Very low134 Ų134138.6 Ų138.681%0.81270%0.702SS**  trans-140.376.9157.5-169.80000108.9
681N23.9Very low30.9Very low158 Ų158144.6 Ų144.685%0.84573%0.726SS**  trans-126.586.2163.1-96.1-1.6000107
682Y24.3Very low31Very low214 Ų214140.7 Ų140.784%0.83972%0.717SS**  trans-147.9120.1160.6-102.1-80.9000106.9
683F24.9Very low30.9Very low278 Ų278145.5 Ų145.5100%1.21973%0.734SS**  trans75.50-166.4-54.6-74.3000115.8

Retrieved 683 of 683 residues in 1574.9 ms (Link to these results)

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