A0A077ZG21_TRITR Loading...

Thiol:disulfide interchange protein DsbA

AlphaFold DB , UniProt , Accession A0A077ZG21, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 595 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
1M48.2Very low78.1Confident216 Ų216113.1 Ų113.1100%1.06455%0.548SS*.  0-37.80-146.1170.716900113.9C3M1-C3 PolarHBondContact O-N 2.67Å
2K54.5Low79.3Confident195 Ų195107.4 Ų107.485%0.84852%0.522SS*.Hα-helixtrans-63.1-29-176.3-73.4-173.8175.7-177.10116.5L6K2-L6 WeakPolarHBondContact O-CB 3.42Å
3C69.7Low80.5Confident90 Ų90100.8 Ų100.861%0.60849%0.49SS*.Hα-helixtrans-75.9-35.6179.6-73.40000114.5M1 L6 N7M1-C3 PolarHBondContact O-N 2.67Å; C3-L6 PolarHBondContact O-N 3.27Å; C3-N7 VanDerWaalsContact O-CB 3.28Å; C3-N7 WeakPolarHBondContact O-CB 2.98Å; C3-N7 PolarHBondContact O-N 3.43Å; C3-N7 PolarHBondContact O-ND2 3.16Å; C3-N7 PolarHBondContact O-OD1 3.48Å
4K78.7Confident81.3Confident168 Ų168101.5 Ų101.573%0.7349%0.492SS*.Hα-helixtrans-65.6-49.9-172.2-172.6-179.2177.9-177.50112.1N7 E8K4-N7 PolarHBondContact O-N 3.13Å; K4-E8 WeakPolarHBondContact O-CB 3.38Å; K4-E8 PolarHBondContact O-N 3.45Å
5R77Confident82.1Confident98 Ų9899.1 Ų99.137%0.3749%0.488SS..Hα-helixtrans-65.4-41.7178.6-83.1-154.4173.6-162.8-8.6112.4N7 E8 V9 D47 D48R5-N7 VanDerWaalsContact C-N 3.33Å; R5-N7 PolarHBondContact O-N 3.38Å; R5-E8 PolarHBondContact O-N 2.91Å; R5-V9 WeakPolarHBondContact O-CG2 3.49Å; R5-V9 PolarHBondContact O-N 3.2Å; R5-D47 WeakPolarHBondContact CD-OD2 3.49Å; R5-D47 IonicContact CZ-OD2 3.81Å; R5-D47 IonicContact NE-OD2 3.15Å; R5-D47 IonicContact NH1-OD1 2.66Å; R5-D47 PolarHBondContact NH1-OD1 3.08Å; R5-D47 IonicContact NH1-OD2 3.07Å; R5-D47 PolarHBondContact NH1-OD2 3.36Å; R5-D48 IonicContact CZ-OD1 3.28Å; R5-D48 IonicContact CZ-OD2 2.67Å; R5-D48 VanDerWaalsContact NH1-CG 3.25Å; R5-D48 IonicContact NH1-OD1 2.72Å; R5-D48 PolarHBondContact NH1-OD1 3.36Å; R5-D48 IonicContact NH1-OD2 3.93Å; R5-D48 PolarHBondContact NH1-OD2 3.44Å; R5-D48 IonicContact NH2-OD1 2.85Å; R5-D48 PolarHBondContact NH2-OD1 2.87Å; R5-D48 IonicContact NH2-OD2 3.34Å; R5-D48 PolarHBondContact NH2-OD2 2.73Å
6L82.3Confident82.8Confident102 Ų10293.7 Ų93.753%0.53446%0.464SS..Hα-helixtrans-59.9-45.7175.2178.562.2000111.2K2 C3 E8 V9 I10K2-L6 WeakPolarHBondContact O-CB 3.42Å; C3-L6 PolarHBondContact O-N 3.27Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 2.78Å; L6-V9 PolarHBondContact O-N 3.15Å; L6-I10 HydrophobicContact CD1-CD1 3.96Å; L6-I10 HydrophobicContact CD1-CG1 4.39Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.43Å
7N88.2Confident83.4Confident82 Ų8293.2 Ų93.244%0.43946%0.456SS..Hα-helixtrans-61.3-43.3176.3-69.2-6.2000111.4C3 K4 R5 I10 E11C3-N7 VanDerWaalsContact O-CB 3.28Å; C3-N7 WeakPolarHBondContact O-CB 2.98Å; C3-N7 PolarHBondContact O-N 3.43Å; C3-N7 PolarHBondContact O-ND2 3.16Å; C3-N7 PolarHBondContact O-OD1 3.48Å; K4-N7 PolarHBondContact O-N 3.13Å; R5-N7 VanDerWaalsContact C-N 3.33Å; R5-N7 PolarHBondContact O-N 3.38Å; N7-I10 PolarHBondContact O-N 2.68Å; N7-E11 WeakPolarHBondContact O-CB 3.36Å; N7-E11 VanDerWaalsContact O-CG 3.31Å; N7-E11 WeakPolarHBondContact O-CG 3.34Å; N7-E11 PolarHBondContact O-N 2.9Å
8E89.1Confident83.9Confident51 Ų5195.6 Ų95.624%0.23847%0.465CS..Hα-helixtrans-61.6-44.9177.9-177.6172-164.300112.2K4 R5 L6 I10 E11 L12 I51 K55K4-E8 WeakPolarHBondContact O-CB 3.38Å; K4-E8 PolarHBondContact O-N 3.45Å; R5-E8 PolarHBondContact O-N 2.91Å; L6-E8 VanDerWaalsContact C-N 3.34Å; L6-E8 PolarHBondContact O-N 2.78Å; E8-I10 VanDerWaalsContact C-N 3.33Å; E8-I10 PolarHBondContact O-N 2.76Å; E8-E11 PolarHBondContact O-N 3.31Å; E8-L12 HydrophobicContact CG-CD1 4.06Å; E8-L12 WeakPolarHBondContact O-CB 3.48Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.41Å; E8-L12 VanDerWaalsContact O-N 3.08Å; E8-I51 HydrophobicContact CG-CD1 4.31Å; E8-I51 HydrophobicContact CG-CG1 4.46Å; E8-I51 HydrophobicContact CG-CG2 4.45Å; E8-K55 WeakPolarHBondContact OE1-CE 3.31Å; E8-K55 IonicContact OE1-NZ 2.87Å; E8-K55 PolarHBondContact OE1-NZ 3.21Å
9V89.6Confident84.4Confident22 Ų2297.8 Ų97.813%0.13347%0.473CS..Hα-helixtrans-59.2-46.5174174.20000110.2R5 L6 L12 L13 D47 I51R5-V9 WeakPolarHBondContact O-CG2 3.49Å; R5-V9 PolarHBondContact O-N 3.2Å; L6-V9 PolarHBondContact O-N 3.15Å; V9-L12 PolarHBondContact O-N 3.17Å; V9-L13 WeakPolarHBondContact O-CB 3.35Å; V9-L13 PolarHBondContact O-N 3.48Å; V9-D47 HydrophobicContact CG2-CB 4Å; V9-I51 HydrophobicContact CG2-CD1 3.81Å; V9-I51 HydrophobicContact CG2-CG1 3.72Å
10I89.6Confident84.8Confident81 Ų8195.1 Ų95.142%0.41546%0.459SS..Hα-helixtrans-63.8-46.3-179.4-68.7168000111.4L6 N7 E8 L12 L13 Q14L6-I10 HydrophobicContact CD1-CD1 3.96Å; L6-I10 HydrophobicContact CD1-CG1 4.39Å; L6-I10 HydrophobicContact CG-CD1 3.89Å; L6-I10 VanDerWaalsContact O-CG1 3.26Å; L6-I10 WeakPolarHBondContact O-CG1 3.49Å; L6-I10 PolarHBondContact O-N 3.43Å; N7-I10 PolarHBondContact O-N 2.68Å; E8-I10 VanDerWaalsContact C-N 3.33Å; E8-I10 PolarHBondContact O-N 2.76Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.19Å; I10-L13 PolarHBondContact O-N 3.45Å; I10-Q14 VanDerWaalsContact O-CB 3.28Å; I10-Q14 WeakPolarHBondContact O-CB 3.12Å; I10-Q14 PolarHBondContact O-N 3.13Å
11E92.1Very high85.1Confident139 Ų13995.4 Ų95.465%0.6547%0.469SS*.Hα-helixtrans-58.9-38.2179.1-79.6175-172.800112.2N7 E8 P15N7-E11 WeakPolarHBondContact O-CB 3.36Å; N7-E11 VanDerWaalsContact O-CG 3.31Å; N7-E11 WeakPolarHBondContact O-CG 3.34Å; N7-E11 PolarHBondContact O-N 2.9Å; E8-E11 PolarHBondContact O-N 3.31Å; E11-P15 WeakPolarHBondContact O-CD 3.29Å; E11-P15 WeakPolarHBondContact O-CG 3.15Å
12L93.1Very high87.3Confident45 Ų4592.6 Ų92.624%0.23646%0.458CS..Hα-helixtrans-80.7-39.6178.1-67.9170.7000112.4E8 V9 I10 I51 L54 K55E8-L12 HydrophobicContact CG-CD1 4.06Å; E8-L12 WeakPolarHBondContact O-CB 3.48Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.47Å; E8-L12 PolarHBondContact O-N 3.41Å; E8-L12 VanDerWaalsContact O-N 3.08Å; V9-L12 PolarHBondContact O-N 3.17Å; I10-L12 VanDerWaalsContact C-N 3.28Å; I10-L12 PolarHBondContact O-N 3.19Å; L12-I51 HydrophobicContact CD1-CB 4.33Å; L12-I51 HydrophobicContact CD1-CG1 4.35Å; L12-I51 HydrophobicContact CD1-CG2 3.9Å; L12-L54 HydrophobicContact CB-CB 3.95Å; L12-L54 HydrophobicContact CB-CD1 3.85Å; L12-L54 HydrophobicContact CB-CG 4.48Å; L12-L54 HydrophobicContact CD1-CB 4.49Å; L12-K55 HydrophobicContact CD1-CG 3.97Å; L12-K55 HydrophobicContact CD2-CG 4.1Å
13L93.8Very high89.3Confident21 Ų2185.6 Ų85.611%0.1143%0.43CS..Hα-helixtrans-72.4-39.9-174.4-170.277000111.8V9 I10 A16 W17 L25 F28 L29 L32 L54V9-L13 WeakPolarHBondContact O-CB 3.35Å; V9-L13 PolarHBondContact O-N 3.48Å; I10-L13 PolarHBondContact O-N 3.45Å; L13-A16 PolarHBondContact O-N 3.23Å; L13-W17 VanDerWaalsContact O-CB 3.31Å; L13-W17 WeakPolarHBondContact O-CB 3.42Å; L13-W17 PolarHBondContact O-N 2.94Å; L13-L25 HydrophobicContact CD2-CD1 3.78Å; L13-F28 HydrophobicContact CD1-CD1 3.83Å; L13-F28 HydrophobicContact CD1-CE1 3.58Å; L13-F28 HydrophobicContact CG-CD1 4.46Å; L13-F28 HydrophobicContact CG-CE1 4.25Å; L13-L29 HydrophobicContact CD1-CD2 4.09Å; L13-L32 HydrophobicContact CD1-CD1 3.59Å; L13-L54 HydrophobicContact CB-CD1 4.21Å; L13-L54 HydrophobicContact CD1-CD1 4.01Å
14Q92.4Very high90.5Very high111 Ų11185.2 Ų85.252%0.51942%0.422SS..Hα-helixtrans-56.6-55.9-175.8-179.7177-9.200113.7I10 A16 W17 Q18I10-Q14 VanDerWaalsContact O-CB 3.28Å; I10-Q14 WeakPolarHBondContact O-CB 3.12Å; I10-Q14 PolarHBondContact O-N 3.13Å; Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 2.8Å; Q14-W17 PolarHBondContact O-N 3.13Å; Q14-Q18 VanDerWaalsContact O-CG 3.32Å; Q14-Q18 WeakPolarHBondContact O-CG 3.13Å; Q14-Q18 PolarHBondContact O-N 3.27Å
15P93.1Very high91.2Very high66 Ų6680.7 Ų80.743%0.42941%0.405SS..Hα-helixtrans-66.6-32179.526.6-34.8000112.2E11E11-P15 WeakPolarHBondContact O-CD 3.29Å; E11-P15 WeakPolarHBondContact O-CG 3.15Å
16A93.1Very high92Very high12 Ų1281.5 Ų81.510%0.09942%0.416CS..Hα-helixtrans-68.8-40.4177.700000111.8L13 Q14 K19 F28 L54L13-A16 PolarHBondContact O-N 3.23Å; Q14-A16 VanDerWaalsContact C-N 3.28Å; Q14-A16 PolarHBondContact O-N 2.8Å; A16-K19 PolarHBondContact O-N 3.46Å; A16-F28 VanDerWaalsContact C-CZ 3.46Å; A16-F28 HydrophobicContact CB-CE1 4.28Å; A16-F28 HydrophobicContact CB-CZ 3.84Å; A16-F28 WeakPolarHBondContact O-CZ 3.3Å; A16-L54 HydrophobicContact CB-CD2 3.51Å
17W94.1Very high92.6Very high86 Ų8680.9 Ų80.933%0.32641%0.411SS..Hα-helixtrans-76.2-32.5-179.4-167.918.6000112.4L13 Q14 K19 E20 L23 L25 F28L13-W17 VanDerWaalsContact O-CB 3.31Å; L13-W17 WeakPolarHBondContact O-CB 3.42Å; L13-W17 PolarHBondContact O-N 2.94Å; Q14-W17 PolarHBondContact O-N 3.13Å; W17-K19 PolarHBondContact O-N 3.3Å; W17-K19 VanDerWaalsContact O-N 3.16Å; W17-E20 CarbonylContact O-C 3.59Å; W17-E20 PolarHBondContact O-N 2.98Å; W17-L23 PolarHBondContact NE1-O 3.43Å; W17-L25 HydrophobicContact CE3-CD1 4.08Å; W17-L25 HydrophobicContact CH2-CB 3.6Å; W17-L25 HydrophobicContact CH2-CD1 4.33Å; W17-L25 HydrophobicContact CH2-CG 4.47Å; W17-L25 HydrophobicContact CZ2-CB 3.88Å; W17-L25 HydrophobicContact CZ3-CB 4.1Å; W17-L25 HydrophobicContact CZ3-CD1 3.97Å; W17-L25 HydrophobicContact CZ3-CG 4.49Å; W17-F28 HydrophobicContact CB-CD1 3.66Å; W17-F28 HydrophobicContact CB-CE1 3.5Å; W17-F28 HydrophobicContact CB-CG 4.3Å; W17-F28 HydrophobicContact CB-CZ 4.04Å; W17-F28 AromaticContact CD1-CD1 3.68Å; W17-F28 AromaticContact CD1-CD2 3.86Å; W17-F28 AromaticContact CD1-CG 3.46Å; W17-F28 VanDerWaalsContact CD1-CG 3.46Å; W17-F28 HydrophobicContact CD2-CD1 4.4Å; W17-F28 HydrophobicContact CG-CB 4.35Å; W17-F28 AromaticContact CG-CD1 3.62Å; W17-F28 HydrophobicContact CG-CD1 3.62Å; W17-F28 HydrophobicContact CG-CE1 4.01Å; W17-F28 AromaticContact CG-CG 3.91Å; W17-F28 HydrophobicContact CG-CG 3.91Å
18Q92Very high92.9Very high135 Ų13577 Ų7763%0.63139%0.39SS*.Hα-helixtrans-58.7-25.1173.1-79.5179.1-11.100113.7Q14 E20Q14-Q18 VanDerWaalsContact O-CG 3.32Å; Q14-Q18 WeakPolarHBondContact O-CG 3.13Å; Q14-Q18 PolarHBondContact O-N 3.27Å; Q18-E20 PolarHBondContact O-N 2.91Å
19K92.5Very high93.2Very high138 Ų13876.3 Ų76.360%0.639%0.387SS*.THydrogen-bonded Turntrans-73.9-13.5174.3-64.4176.9-176179.30113A16 W17 D58A16-K19 PolarHBondContact O-N 3.46Å; W17-K19 PolarHBondContact O-N 3.3Å; W17-K19 VanDerWaalsContact O-N 3.16Å; K19-D58 IonicContact NZ-OD2 3.91Å; K19-D58 PolarHBondContact NZ-OD2 3.27Å
20E93.2Very high93.4Very high44 Ų4481.2 Ų81.221%0.20641%0.409CS..  trans-135.860.6-174.8-59.3-170-119.700111.7W17 Q18 D22 L23 F28 K31 R57W17-E20 CarbonylContact O-C 3.59Å; W17-E20 PolarHBondContact O-N 2.98Å; Q18-E20 PolarHBondContact O-N 2.91Å; E20-D22 PolarHBondContact O-N 2.92Å; E20-D22 VanDerWaalsContact O-N 3.15Å; E20-L23 HydrophobicContact CB-CD1 4.25Å; E20-L23 PolarHBondContact O-N 3.44Å; E20-F28 HydrophobicContact CB-CD2 4.46Å; E20-F28 HydrophobicContact CB-CE2 4.41Å; E20-F28 HydrophobicContact CG-CE2 4.49Å; E20-K31 IonicContact OE1-NZ 2.73Å; E20-K31 PolarHBondContact OE1-NZ 2.9Å; E20-K31 WeakPolarHBondContact OE2-CD 3.41Å; E20-K31 WeakPolarHBondContact OE2-CE 3.44Å; E20-K31 IonicContact OE2-NZ 2.67Å; E20-K31 PolarHBondContact OE2-NZ 3.39Å; E20-R57 IonicContact OE1-CZ 3.55Å; E20-R57 IonicContact OE1-NH1 3.43Å; E20-R57 PolarHBondContact OE1-NH1 3.42Å; E20-R57 IonicContact OE1-NH2 2.76Å; E20-R57 PolarHBondContact OE1-NH2 3.08Å
21P90.7Very high93.7Very high102 Ų10280.8 Ų80.866%0.66240%0.404SS*.THydrogen-bonded Turntrans-68.1-15.9-170.329.5-37000114.3L23P21-L23 PolarHBondContact O-N 3.47Å
22D95.3Very high93.8Very high157 Ų15774.2 Ų74.284%0.8437%0.373SS*.THydrogen-bonded Turntrans-74.6-15.2178.9-61-38.5000112.9E20E20-D22 PolarHBondContact O-N 2.92Å; E20-D22 VanDerWaalsContact O-N 3.15Å
23L95.5Very high93.8Very high47 Ų4772.3 Ų72.325%0.24636%0.364CS..SBendtrans-93.1132.4177.7-59-179.6000110.1W17 E20 P21 Q27 F28 K31W17-L23 PolarHBondContact NE1-O 3.43Å; E20-L23 HydrophobicContact CB-CD1 4.25Å; E20-L23 PolarHBondContact O-N 3.44Å; P21-L23 PolarHBondContact O-N 3.47Å; L23-Q27 HydrophobicContact CB-CB 4.09Å; L23-Q27 HydrophobicContact CD2-CB 4.14Å; L23-F28 HydrophobicContact CB-CB 4.32Å; L23-F28 HydrophobicContact CD1-CD2 4.18Å; L23-K31 HydrophobicContact CD1-CD 4.11Å
24N95.3Very high93.7Very high83 Ų8379.7 Ų79.744%0.44440%0.395SS..  trans-70.6166.7163.972.251.5000110.8L26 Q27 F28N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 2.97Å; N24-L26 WeakPolarHBondContact OD1-CB 3.44Å; N24-L26 PolarHBondContact OD1-N 3.11Å; N24-L26 VanDerWaalsContact OD1-N 3.1Å; N24-Q27 VanDerWaalsContact ND2-CD 3.31Å; N24-Q27 PolarHBondContact ND2-OE1 2.94Å; N24-Q27 VanDerWaalsContact ND2-OE1 3.13Å; N24-Q27 WeakPolarHBondContact O-CB 3.26Å; N24-Q27 PolarHBondContact O-N 3.1Å; N24-Q27 VanDerWaalsContact O-N 3.11Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.45Å; N24-Q27 PolarHBondContact OD1-N 3.24Å; N24-F28 PolarHBondContact O-N 3.15Å
25L92.4Very high93.7Very high73 Ų7378 Ų7838%0.38239%0.387SS..Hα-helixtrans-55.5-44-174.4178.958.8000112.8L13 W17 F28 L29L13-L25 HydrophobicContact CD2-CD1 3.78Å; W17-L25 HydrophobicContact CE3-CD1 4.08Å; W17-L25 HydrophobicContact CH2-CB 3.6Å; W17-L25 HydrophobicContact CH2-CD1 4.33Å; W17-L25 HydrophobicContact CH2-CG 4.47Å; W17-L25 HydrophobicContact CZ2-CB 3.88Å; W17-L25 HydrophobicContact CZ3-CB 4.1Å; W17-L25 HydrophobicContact CZ3-CD1 3.97Å; W17-L25 HydrophobicContact CZ3-CG 4.49Å; L25-F28 PolarHBondContact O-N 2.93Å; L25-L29 HydrophobicContact CD1-CD1 4.19Å; L25-L29 HydrophobicContact CD1-CG 4.1Å; L25-L29 HydrophobicContact CG-CD1 4.09Å; L25-L29 HydrophobicContact CG-CG 4.41Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 3.03Å
26L94Very high93.5Very high115 Ų11576.9 Ų76.960%0.60238%0.381SS*.Hα-helixtrans-64.5-43179.5-88.5134.4000111.7N24 F28 L29 Q30 L42N24-L26 VanDerWaalsContact C-N 3.31Å; N24-L26 PolarHBondContact O-N 2.97Å; N24-L26 WeakPolarHBondContact OD1-CB 3.44Å; N24-L26 PolarHBondContact OD1-N 3.11Å; N24-L26 VanDerWaalsContact OD1-N 3.1Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.19Å; L26-L29 PolarHBondContact O-N 3.32Å; L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 PolarHBondContact O-N 2.83Å; L26-L42 HydrophobicContact CD2-CD2 3.7Å
27Q95.4Very high93.3Very high89 Ų8978.9 Ų78.942%0.41640%0.404SS..Hα-helixtrans-62.6-39.6175.2-69.9171.2-4000111.5L23 N24 Q30 K31L23-Q27 HydrophobicContact CB-CB 4.09Å; L23-Q27 HydrophobicContact CD2-CB 4.14Å; N24-Q27 VanDerWaalsContact ND2-CD 3.31Å; N24-Q27 PolarHBondContact ND2-OE1 2.94Å; N24-Q27 VanDerWaalsContact ND2-OE1 3.13Å; N24-Q27 WeakPolarHBondContact O-CB 3.26Å; N24-Q27 PolarHBondContact O-N 3.1Å; N24-Q27 VanDerWaalsContact O-N 3.11Å; N24-Q27 WeakPolarHBondContact OD1-CG 3.45Å; N24-Q27 PolarHBondContact OD1-N 3.24Å; Q27-Q30 PolarHBondContact O-N 3.37Å; Q27-K31 PolarHBondContact O-N 3.29Å
28F95.7Very high93.1Very high0 Ų077 Ų770%040%0.398CS..Hα-helixtrans-68-44.4177.6-172-117.2000112.1L13 A16 W17 E20 L23 N24 L25 L26 Q30 K31 L32L13-F28 HydrophobicContact CD1-CD1 3.83Å; L13-F28 HydrophobicContact CD1-CE1 3.58Å; L13-F28 HydrophobicContact CG-CD1 4.46Å; L13-F28 HydrophobicContact CG-CE1 4.25Å; A16-F28 VanDerWaalsContact C-CZ 3.46Å; A16-F28 HydrophobicContact CB-CE1 4.28Å; A16-F28 HydrophobicContact CB-CZ 3.84Å; A16-F28 WeakPolarHBondContact O-CZ 3.3Å; W17-F28 HydrophobicContact CB-CD1 3.66Å; W17-F28 HydrophobicContact CB-CE1 3.5Å; W17-F28 HydrophobicContact CB-CG 4.3Å; W17-F28 HydrophobicContact CB-CZ 4.04Å; W17-F28 AromaticContact CD1-CD1 3.68Å; W17-F28 AromaticContact CD1-CD2 3.86Å; W17-F28 AromaticContact CD1-CG 3.46Å; W17-F28 VanDerWaalsContact CD1-CG 3.46Å; W17-F28 HydrophobicContact CD2-CD1 4.4Å; W17-F28 HydrophobicContact CG-CB 4.35Å; W17-F28 AromaticContact CG-CD1 3.62Å; W17-F28 HydrophobicContact CG-CD1 3.62Å; W17-F28 HydrophobicContact CG-CE1 4.01Å; W17-F28 AromaticContact CG-CG 3.91Å; W17-F28 HydrophobicContact CG-CG 3.91Å; E20-F28 HydrophobicContact CB-CD2 4.46Å; E20-F28 HydrophobicContact CB-CE2 4.41Å; E20-F28 HydrophobicContact CG-CE2 4.49Å; L23-F28 HydrophobicContact CB-CB 4.32Å; L23-F28 HydrophobicContact CD1-CD2 4.18Å; N24-F28 PolarHBondContact O-N 3.15Å; L25-F28 PolarHBondContact O-N 2.93Å; L26-F28 VanDerWaalsContact C-N 3.3Å; L26-F28 PolarHBondContact O-N 3.19Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 2.85Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 2.75Å; F28-K31 VanDerWaalsContact O-N 3.13Å; F28-L32 HydrophobicContact CD1-CD1 4.04Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.69Å; F28-L32 HydrophobicContact CE1-CD2 4.44Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 HydrophobicContact CE2-CD2 4.49Å; F28-L32 HydrophobicContact CZ-CD1 4.16Å; F28-L32 HydrophobicContact CZ-CD2 4.07Å; F28-L32 HydrophobicContact CZ-CG 4.23Å; F28-L32 WeakPolarHBondContact O-CG 3.29Å; F28-L32 PolarHBondContact O-N 2.87Å
29L94.8Very high92.8Very high36 Ų3678.5 Ų78.519%0.18841%0.41CS..Hα-helixtrans-61.6-40.4174.5-69.1175.1000111.9L13 L25 L26 K31 L32 A33 L42 L50L13-L29 HydrophobicContact CD1-CD2 4.09Å; L25-L29 HydrophobicContact CD1-CD1 4.19Å; L25-L29 HydrophobicContact CD1-CG 4.1Å; L25-L29 HydrophobicContact CG-CD1 4.09Å; L25-L29 HydrophobicContact CG-CG 4.41Å; L25-L29 VanDerWaalsContact O-CG 3.29Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 3.03Å; L26-L29 PolarHBondContact O-N 3.32Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 3.34Å; L29-A33 WeakPolarHBondContact O-CB 3.32Å; L29-A33 PolarHBondContact O-N 3.42Å; L29-L42 HydrophobicContact CB-CD1 4.27Å; L29-L50 HydrophobicContact CD2-CD1 3.81Å; L29-L50 HydrophobicContact CD2-CD2 3.87Å
30Q93.7Very high92.6Very high126 Ų12674 Ų7459%0.58940%0.403SS*.Hα-helixtrans-64.3-35.1174.9-169.9169.923.400112.1L26 Q27 F28 K34 L42L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 PolarHBondContact O-N 2.83Å; Q27-Q30 PolarHBondContact O-N 3.37Å; F28-Q30 VanDerWaalsContact C-N 3.32Å; F28-Q30 PolarHBondContact O-N 2.85Å; Q30-K34 PolarHBondContact O-N 2.94Å; Q30-K34 VanDerWaalsContact O-N 3.13Å; Q30-L42 HydrophobicContact CB-CD1 4.46Å
31K94.7Very high92.5Very high71 Ų7178.9 Ų78.931%0.30943%0.426SS..Hα-helixtrans-64.6-49.2172.7-169.1-169.5-175.1-155.50111.4E20 L23 Q27 F28 L29 A33 K34 E35E20-K31 IonicContact OE1-NZ 2.73Å; E20-K31 PolarHBondContact OE1-NZ 2.9Å; E20-K31 WeakPolarHBondContact OE2-CD 3.41Å; E20-K31 WeakPolarHBondContact OE2-CE 3.44Å; E20-K31 IonicContact OE2-NZ 2.67Å; E20-K31 PolarHBondContact OE2-NZ 3.39Å; L23-K31 HydrophobicContact CD1-CD 4.11Å; Q27-K31 PolarHBondContact O-N 3.29Å; F28-K31 WeakPolarHBondContact O-CB 3.31Å; F28-K31 PolarHBondContact O-N 2.75Å; F28-K31 VanDerWaalsContact O-N 3.13Å; L29-K31 VanDerWaalsContact C-N 3.29Å; L29-K31 PolarHBondContact O-N 3.4Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.32Å; K31-K34 PolarHBondContact O-N 2.91Å; K31-K34 VanDerWaalsContact O-N 3.17Å; K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 HydrophobicContact CG-CG 4.41Å; K31-E35 IonicContact NZ-OE1 3.27Å; K31-E35 PolarHBondContact NZ-OE1 2.88Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.48Å
32L94.8Very high92.5Very high1 Ų176.9 Ų76.91%0.00541%0.409CS..Hα-helixtrans-59.7-42.3178.7-66.5175.7000111.6L13 F28 L29 K34 E35 S36 L50 L54L13-L32 HydrophobicContact CD1-CD1 3.59Å; F28-L32 HydrophobicContact CD1-CD1 4.04Å; F28-L32 HydrophobicContact CD1-CG 4.5Å; F28-L32 HydrophobicContact CE1-CD1 3.69Å; F28-L32 HydrophobicContact CE1-CD2 4.44Å; F28-L32 HydrophobicContact CE1-CG 4.2Å; F28-L32 HydrophobicContact CE2-CD2 4.49Å; F28-L32 HydrophobicContact CZ-CD1 4.16Å; F28-L32 HydrophobicContact CZ-CD2 4.07Å; F28-L32 HydrophobicContact CZ-CG 4.23Å; F28-L32 WeakPolarHBondContact O-CG 3.29Å; F28-L32 PolarHBondContact O-N 2.87Å; L29-L32 PolarHBondContact O-N 3.34Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.06Å; L32-E35 PolarHBondContact O-N 3.44Å; L32-S36 WeakPolarHBondContact O-CB 3.42Å; L32-S36 PolarHBondContact O-N 3.03Å; L32-S36 PolarHBondContact O-OG 2.87Å; L32-L50 HydrophobicContact CB-CD2 3.88Å; L32-L50 HydrophobicContact CD1-CD2 3.79Å; L32-L54 HydrophobicContact CD1-CD1 4.35Å; L32-L54 HydrophobicContact CD1-CD2 3.93Å; L32-L54 HydrophobicContact CD1-CG 4.22Å; L32-L54 HydrophobicContact CD2-CD2 3.9Å
33A93.2Very high92.2Very high6 Ų673.7 Ų73.75%0.0540%0.404CS..Hα-helixtrans-58.1-46.1174.900000111.9L29 K31 S36 G37 F38 L45L29-A33 WeakPolarHBondContact O-CB 3.32Å; L29-A33 PolarHBondContact O-N 3.42Å; K31-A33 VanDerWaalsContact C-N 3.31Å; K31-A33 PolarHBondContact O-N 3.32Å; A33-S36 PolarHBondContact O-N 3.13Å; A33-S36 PolarHBondContact O-OG 3Å; A33-G37 PolarHBondContact O-N 3.38Å; A33-F38 HydrophobicContact CB-CB 4.32Å; A33-F38 HydrophobicContact CB-CD1 4.03Å; A33-F38 VanDerWaalsContact O-CB 3.31Å; A33-F38 WeakPolarHBondContact O-CB 3.43Å; A33-F38 PolarHBondContact O-N 2.86Å; A33-L45 HydrophobicContact CB-CD1 3.89Å; A33-L45 HydrophobicContact CB-CD2 3.96Å
34K92.2Very high92Very high175 Ų17576.4 Ų76.476%0.76142%0.419SS*.Hα-helixtrans-65.7-41.7178.2-172176.8-178.5178.10112.3Q30 K31 L32 S36 G37Q30-K34 PolarHBondContact O-N 2.94Å; Q30-K34 VanDerWaalsContact O-N 3.13Å; K31-K34 PolarHBondContact O-N 2.91Å; K31-K34 VanDerWaalsContact O-N 3.17Å; L32-K34 VanDerWaalsContact C-N 3.34Å; L32-K34 PolarHBondContact O-N 3.06Å; K34-S36 VanDerWaalsContact C-N 3.29Å; K34-S36 PolarHBondContact O-N 2.86Å; K34-G37 PolarHBondContact O-N 3.38Å
35E92.6Very high91.8Very high75 Ų7573.7 Ų73.735%0.3540%0.404SS..Hα-helixtrans-66.7-31.1177.9-71.3174.7179.500112.6K31 L32 G37 H53 R57K31-E35 WeakPolarHBondContact CE-OE1 3.37Å; K31-E35 HydrophobicContact CG-CG 4.41Å; K31-E35 IonicContact NZ-OE1 3.27Å; K31-E35 PolarHBondContact NZ-OE1 2.88Å; K31-E35 WeakPolarHBondContact O-CG 3.43Å; K31-E35 PolarHBondContact O-N 3.48Å; L32-E35 PolarHBondContact O-N 3.44Å; E35-G37 PolarHBondContact O-N 3.46Å; E35-H53 VanDerWaalsContact CB-CE1 3.41Å; E35-H53 WeakPolarHBondContact CB-CE1 3.28Å; E35-H53 WeakPolarHBondContact CB-NE2 3.04Å; E35-H53 IonicContact OE2-CD2 2.79Å; E35-H53 IonicContact OE2-CE1 2.85Å; E35-H53 IonicContact OE2-NE2 3.86Å; E35-H53 PolarHBondContact OE2-NE2 3.44Å; E35-R57 IonicContact OE1-CZ 3.63Å; E35-R57 IonicContact OE1-NE 3.64Å; E35-R57 IonicContact OE1-NH2 2.78Å; E35-R57 PolarHBondContact OE1-NH2 2.84Å; E35-R57 IonicContact OE2-CZ 3.31Å; E35-R57 VanDerWaalsContact OE2-CZ 3.31Å; E35-R57 IonicContact OE2-NE 2.68Å; E35-R57 PolarHBondContact OE2-NE 3.34Å; E35-R57 IonicContact OE2-NH2 3.2Å; E35-R57 PolarHBondContact OE2-NH2 2.85Å
36S88.5Confident91.6Very high43 Ų4373.1 Ų73.130%0.30140%0.404SS..THydrogen-bonded Turntrans-78.1-217570.90000113.6L32 A33 K34 F38 I49L32-S36 WeakPolarHBondContact O-CB 3.42Å; L32-S36 PolarHBondContact O-N 3.03Å; L32-S36 PolarHBondContact O-OG 2.87Å; A33-S36 PolarHBondContact O-N 3.13Å; A33-S36 PolarHBondContact O-OG 3Å; K34-S36 VanDerWaalsContact C-N 3.29Å; K34-S36 PolarHBondContact O-N 2.86Å; S36-F38 VanDerWaalsContact C-N 3.34Å; S36-I49 WeakPolarHBondContact OG-CG2 3.38Å
37G88.6Confident91.2Very high55 Ų5570.5 Ų70.557%0.56739%0.391SS*.THydrogen-bonded Turntrans72.324.6-174.500000113.9A33 K34 E35A33-G37 PolarHBondContact O-N 3.38Å; K34-G37 PolarHBondContact O-N 3.38Å; E35-G37 PolarHBondContact O-N 3.46Å
38F89Confident90.7Very high47 Ų4769 Ų6921%0.20639%0.386CS..  trans-84.4119.4175.9178.5-95.4000110.5A33 S36 G40 E41 D44 L45 I49A33-F38 HydrophobicContact CB-CB 4.32Å; A33-F38 HydrophobicContact CB-CD1 4.03Å; A33-F38 VanDerWaalsContact O-CB 3.31Å; A33-F38 WeakPolarHBondContact O-CB 3.43Å; A33-F38 PolarHBondContact O-N 2.86Å; S36-F38 VanDerWaalsContact C-N 3.34Å; F38-G40 VanDerWaalsContact CE1-C 3.47Å; F38-G40 WeakPolarHBondContact CE1-O 3.37Å; F38-E41 WeakPolarHBondContact CE1-O 3.47Å; F38-D44 HydrophobicContact CZ-CB 3.87Å; F38-L45 HydrophobicContact CB-CD1 4.42Å; F38-L45 HydrophobicContact CD1-CD1 4Å; F38-L45 HydrophobicContact CD2-CD1 4.43Å; F38-L45 HydrophobicContact CE1-CB 4.22Å; F38-L45 HydrophobicContact CE1-CD1 4.31Å; F38-L45 HydrophobicContact CG-CD1 4.04Å; F38-L45 HydrophobicContact CZ-CB 4.45Å; F38-I49 HydrophobicContact CD2-CD1 3.6Å; F38-I49 HydrophobicContact CE2-CD1 3.9Å; F38-I49 HydrophobicContact CG-CD1 4.46Å
39D87Confident90.3Very high166 Ų16671.3 Ų71.389%0.88840%0.397SS*.  trans-103.97.9-175.1-67.6-30000113.8
40G88.3Confident90.1Very high43 Ų4370.4 Ų70.444%0.44339%0.392SS..SBendtrans-87.1-180-178.800000114.7F38F38-G40 VanDerWaalsContact CE1-C 3.47Å; F38-G40 WeakPolarHBondContact CE1-O 3.37Å
41E91.2Very high89.8Confident147 Ų14764.8 Ų64.869%0.68737%0.367SS*.  trans-68.1148.4170.3-67.1-142.7156.800110.5F38 A43 D44F38-E41 WeakPolarHBondContact CE1-O 3.47Å; E41-A43 PolarHBondContact O-N 2.94Å; E41-D44 WeakPolarHBondContact O-CB 3.4Å; E41-D44 PolarHBondContact O-N 3.46Å
42L89.6Confident89.3Confident59 Ų5967.5 Ų67.531%0.30938%0.376SS..G310 helixtrans-59.1-25.7-179.6-169.566.9000112.5L26 L29 Q30 D44 L45L26-L42 HydrophobicContact CD2-CD2 3.7Å; L29-L42 HydrophobicContact CB-CD1 4.27Å; Q30-L42 HydrophobicContact CB-CD1 4.46Å; L42-D44 PolarHBondContact O-N 2.97Å; L42-L45 HydrophobicContact CD1-CB 4.41Å; L42-L45 HydrophobicContact CD1-CD2 3.87Å; L42-L45 WeakPolarHBondContact O-CB 3.3Å; L42-L45 PolarHBondContact O-N 3.33Å
43A90.2Very high89.1Confident90 Ų9068.9 Ų68.974%0.74438%0.382SS*.G310 helixtrans-64.8-23.3174.500000113.4E41E41-A43 PolarHBondContact O-N 2.94Å
44D91.6Very high89Confident105 Ų10569.5 Ų69.556%0.56139%0.385SS*.G310 helixtrans-94.3-2.2179.9-59.5-42.9000112.4F38 E41 L42 T46F38-D44 HydrophobicContact CZ-CB 3.87Å; E41-D44 WeakPolarHBondContact O-CB 3.4Å; E41-D44 PolarHBondContact O-N 3.46Å; L42-D44 PolarHBondContact O-N 2.97Å; D44-T46 PolarHBondContact O-N 2.84Å
45L90.8Very high88.8Confident26 Ų2665.2 Ų65.214%0.13637%0.366CS..  trans-70.8115.5178.2-17568.8000110.3A33 F38 L42 I49 L50A33-L45 HydrophobicContact CB-CD1 3.89Å; A33-L45 HydrophobicContact CB-CD2 3.96Å; F38-L45 HydrophobicContact CB-CD1 4.42Å; F38-L45 HydrophobicContact CD1-CD1 4Å; F38-L45 HydrophobicContact CD2-CD1 4.43Å; F38-L45 HydrophobicContact CE1-CB 4.22Å; F38-L45 HydrophobicContact CE1-CD1 4.31Å; F38-L45 HydrophobicContact CG-CD1 4.04Å; F38-L45 HydrophobicContact CZ-CB 4.45Å; L42-L45 HydrophobicContact CD1-CB 4.41Å; L42-L45 HydrophobicContact CD1-CD2 3.87Å; L42-L45 WeakPolarHBondContact O-CB 3.3Å; L42-L45 PolarHBondContact O-N 3.33Å; L45-I49 HydrophobicContact CD1-CB 4.04Å; L45-I49 HydrophobicContact CD1-CD1 4.25Å; L45-I49 HydrophobicContact CD1-CG2 3.71Å; L45-L50 HydrophobicContact CD2-CD1 4.15Å; L45-L50 HydrophobicContact CD2-CD2 3.77Å; L45-L50 HydrophobicContact CD2-CG 3.96Å; L45-L50 HydrophobicContact CG-CD2 4.48Å; L45-L50 HydrophobicContact CG-CG 4.21Å
46T88.6Confident88.5Confident61 Ų6163.8 Ų63.837%0.37436%0.36SS..  trans-85.1157.6-18066.10000112.4D44 D48 I49 L50D44-T46 PolarHBondContact O-N 2.84Å; T46-D48 VanDerWaalsContact C-N 3.25Å; T46-D48 PolarHBondContact O-N 3.42Å; T46-I49 PolarHBondContact O-N 3.27Å; T46-I49 WeakPolarHBondContact OG1-CG1 3.05Å; T46-I49 PolarHBondContact OG1-N 3.37Å; T46-L50 PolarHBondContact O-N 3.47Å
47D85.6Confident88.4Confident60 Ų6064.4 Ų64.432%0.32136%0.355SS..Hα-helixtrans-58.8-36.9170.758.8-23.3000112.1R5 V9 I49 L50 I51R5-D47 WeakPolarHBondContact CD-OD2 3.49Å; R5-D47 IonicContact CZ-OD2 3.81Å; R5-D47 IonicContact NE-OD2 3.15Å; R5-D47 IonicContact NH1-OD1 2.66Å; R5-D47 PolarHBondContact NH1-OD1 3.08Å; R5-D47 IonicContact NH1-OD2 3.07Å; R5-D47 PolarHBondContact NH1-OD2 3.36Å; V9-D47 HydrophobicContact CG2-CB 4Å; D47-I49 PolarHBondContact O-N 3.43Å; D47-L50 PolarHBondContact O-N 3.35Å; D47-I51 WeakPolarHBondContact O-CB 3.44Å; D47-I51 VanDerWaalsContact O-CG1 3.24Å; D47-I51 WeakPolarHBondContact O-CG1 3.4Å; D47-I51 PolarHBondContact O-N 3.26Å
48D84.9Confident88.1Confident58 Ų5867.9 Ų67.931%0.3136%0.361SS..Hα-helixtrans-59.2-45.5177-74.7-52.1000112.3R5 T46 L50 I51 Y52R5-D48 IonicContact CZ-OD1 3.28Å; R5-D48 IonicContact CZ-OD2 2.67Å; R5-D48 VanDerWaalsContact NH1-CG 3.25Å; R5-D48 IonicContact NH1-OD1 2.72Å; R5-D48 PolarHBondContact NH1-OD1 3.36Å; R5-D48 IonicContact NH1-OD2 3.93Å; R5-D48 PolarHBondContact NH1-OD2 3.44Å; R5-D48 IonicContact NH2-OD1 2.85Å; R5-D48 PolarHBondContact NH2-OD1 2.87Å; R5-D48 IonicContact NH2-OD2 3.34Å; R5-D48 PolarHBondContact NH2-OD2 2.73Å; T46-D48 VanDerWaalsContact C-N 3.25Å; T46-D48 PolarHBondContact O-N 3.42Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 2.96Å; D48-I51 PolarHBondContact O-N 3.26Å; D48-Y52 WeakPolarHBondContact O-CB 3.2Å; D48-Y52 WeakPolarHBondContact O-CD2 3.24Å; D48-Y52 PolarHBondContact O-N 3.35Å
49I86.1Confident87.9Confident48 Ų4868.2 Ų68.225%0.24637%0.369CS..Hα-helixtrans-60.7-45.2177.9-66.1168.3000110.3S36 F38 L45 T46 D47 H53S36-I49 WeakPolarHBondContact OG-CG2 3.38Å; F38-I49 HydrophobicContact CD2-CD1 3.6Å; F38-I49 HydrophobicContact CE2-CD1 3.9Å; F38-I49 HydrophobicContact CG-CD1 4.46Å; L45-I49 HydrophobicContact CD1-CB 4.04Å; L45-I49 HydrophobicContact CD1-CD1 4.25Å; L45-I49 HydrophobicContact CD1-CG2 3.71Å; T46-I49 PolarHBondContact O-N 3.27Å; T46-I49 WeakPolarHBondContact OG1-CG1 3.05Å; T46-I49 PolarHBondContact OG1-N 3.37Å; D47-I49 PolarHBondContact O-N 3.43Å; I49-H53 VanDerWaalsContact O-CB 3.26Å; I49-H53 WeakPolarHBondContact O-CB 3.43Å; I49-H53 PolarHBondContact O-N 3.16Å
50L90.1Very high87.5Confident16 Ų1663.1 Ų63.18%0.08435%0.35CS..Hα-helixtrans-62.5-47.6178.1-72171.6000112.1L29 L32 L45 T46 D47 D48 H53 L54L29-L50 HydrophobicContact CD2-CD1 3.81Å; L29-L50 HydrophobicContact CD2-CD2 3.87Å; L32-L50 HydrophobicContact CB-CD2 3.88Å; L32-L50 HydrophobicContact CD1-CD2 3.79Å; L45-L50 HydrophobicContact CD2-CD1 4.15Å; L45-L50 HydrophobicContact CD2-CD2 3.77Å; L45-L50 HydrophobicContact CD2-CG 3.96Å; L45-L50 HydrophobicContact CG-CD2 4.48Å; L45-L50 HydrophobicContact CG-CG 4.21Å; T46-L50 PolarHBondContact O-N 3.47Å; D47-L50 PolarHBondContact O-N 3.35Å; D48-L50 VanDerWaalsContact C-N 3.32Å; D48-L50 PolarHBondContact O-N 2.96Å; L50-H53 PolarHBondContact O-N 2.81Å; L50-L54 VanDerWaalsContact O-CB 3.24Å; L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 WeakPolarHBondContact O-CD1 3.35Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 2.8Å
51I87.5Confident86.9Confident9 Ų971.8 Ų71.85%0.04638%0.376CS..Hα-helixtrans-61.3-48.7-179.5-69.7166.9000110.3E8 V9 L12 D47 D48 K55E8-I51 HydrophobicContact CG-CD1 4.31Å; E8-I51 HydrophobicContact CG-CG1 4.46Å; E8-I51 HydrophobicContact CG-CG2 4.45Å; V9-I51 HydrophobicContact CG2-CD1 3.81Å; V9-I51 HydrophobicContact CG2-CG1 3.72Å; L12-I51 HydrophobicContact CD1-CB 4.33Å; L12-I51 HydrophobicContact CD1-CG1 4.35Å; L12-I51 HydrophobicContact CD1-CG2 3.9Å; D47-I51 WeakPolarHBondContact O-CB 3.44Å; D47-I51 VanDerWaalsContact O-CG1 3.24Å; D47-I51 WeakPolarHBondContact O-CG1 3.4Å; D47-I51 PolarHBondContact O-N 3.26Å; D48-I51 PolarHBondContact O-N 3.26Å; I51-K55 HydrophobicContact CG2-CD 4.04Å; I51-K55 WeakPolarHBondContact O-CB 3.21Å; I51-K55 VanDerWaalsContact O-CG 3.3Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 3.46Å
52Y84.8Confident86.1Confident127 Ų12771.5 Ų71.550%0.49838%0.379SS..Hα-helixtrans-63.5-46.6-180-85.6-67.3000111.7D48 K55 M56 I65D48-Y52 WeakPolarHBondContact O-CB 3.2Å; D48-Y52 WeakPolarHBondContact O-CD2 3.24Å; D48-Y52 PolarHBondContact O-N 3.35Å; Y52-K55 PolarHBondContact O-N 3.42Å; Y52-M56 WeakPolarHBondContact O-CB 3.31Å; Y52-M56 WeakPolarHBondContact O-CG 3.36Å; Y52-M56 PolarHBondContact O-N 3Å; Y52-M56 VanDerWaalsContact O-N 3.13Å; Y52-I65 HydrophobicContact CD1-CG2 4.17Å; Y52-I65 HydrophobicContact CE1-CG2 3.97Å
53H90.3Very high85.5Confident30 Ų3070.5 Ų70.514%0.13938%0.379CS..Hα-helixtrans-62.3-48.7179.1-17358.8000111.1E35 I49 L50 K55 M56 R57E35-H53 VanDerWaalsContact CB-CE1 3.41Å; E35-H53 WeakPolarHBondContact CB-CE1 3.28Å; E35-H53 WeakPolarHBondContact CB-NE2 3.04Å; E35-H53 IonicContact OE2-CD2 2.79Å; E35-H53 IonicContact OE2-CE1 2.85Å; E35-H53 IonicContact OE2-NE2 3.86Å; E35-H53 PolarHBondContact OE2-NE2 3.44Å; I49-H53 VanDerWaalsContact O-CB 3.26Å; I49-H53 WeakPolarHBondContact O-CB 3.43Å; I49-H53 PolarHBondContact O-N 3.16Å; L50-H53 PolarHBondContact O-N 2.81Å; H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 2.98Å; H53-M56 CarbonylContact O-C 3.58Å; H53-M56 PolarHBondContact O-N 2.67Å; H53-R57 WeakPolarHBondContact O-CA 3.24Å; H53-R57 VanDerWaalsContact O-CB 3.3Å; H53-R57 WeakPolarHBondContact O-CB 3.48Å; H53-R57 PolarHBondContact O-N 2.94Å
54L91.9Very high84.5Confident20 Ų2068.6 Ų68.611%0.10536%0.358CS..Hα-helixtrans-61-36.8179-73.2164.8000113L12 L13 A16 L32 L50 M56L12-L54 HydrophobicContact CB-CB 3.95Å; L12-L54 HydrophobicContact CB-CD1 3.85Å; L12-L54 HydrophobicContact CB-CG 4.48Å; L12-L54 HydrophobicContact CD1-CB 4.49Å; L13-L54 HydrophobicContact CB-CD1 4.21Å; L13-L54 HydrophobicContact CD1-CD1 4.01Å; A16-L54 HydrophobicContact CB-CD2 3.51Å; L32-L54 HydrophobicContact CD1-CD1 4.35Å; L32-L54 HydrophobicContact CD1-CD2 3.93Å; L32-L54 HydrophobicContact CD1-CG 4.22Å; L32-L54 HydrophobicContact CD2-CD2 3.9Å; L50-L54 VanDerWaalsContact O-CB 3.24Å; L50-L54 WeakPolarHBondContact O-CB 3.35Å; L50-L54 WeakPolarHBondContact O-CD1 3.35Å; L50-L54 WeakPolarHBondContact O-CG 3.28Å; L50-L54 PolarHBondContact O-N 2.8Å; L54-M56 VanDerWaalsContact C-N 3.28Å; L54-M56 PolarHBondContact O-N 3.39Å
55K87.2Confident83.5Confident85 Ų8566.6 Ų66.637%0.3735%0.347SS..Hα-helixtrans-67.6-27.5174.7-77179-179.4175.20113.3E8 L12 I51 Y52 H53 S59E8-K55 WeakPolarHBondContact OE1-CE 3.31Å; E8-K55 IonicContact OE1-NZ 2.87Å; E8-K55 PolarHBondContact OE1-NZ 3.21Å; L12-K55 HydrophobicContact CD1-CG 3.97Å; L12-K55 HydrophobicContact CD2-CG 4.1Å; I51-K55 HydrophobicContact CG2-CD 4.04Å; I51-K55 WeakPolarHBondContact O-CB 3.21Å; I51-K55 VanDerWaalsContact O-CG 3.3Å; I51-K55 WeakPolarHBondContact O-CG 3.47Å; I51-K55 PolarHBondContact O-N 3.46Å; Y52-K55 PolarHBondContact O-N 3.42Å; H53-K55 VanDerWaalsContact C-N 3.31Å; H53-K55 PolarHBondContact O-N 2.98Å; K55-S59 PolarHBondContact O-OG 3.44Å
56M87.2Confident82.3Confident44 Ų4469 Ų6922%0.21736%0.364CS..Hα-helixtrans-106.4-12-174.8-64.3-58.1-65.700114.1Y52 H53 L54 D58 S59 A63 I65Y52-M56 WeakPolarHBondContact O-CB 3.31Å; Y52-M56 WeakPolarHBondContact O-CG 3.36Å; Y52-M56 PolarHBondContact O-N 3Å; Y52-M56 VanDerWaalsContact O-N 3.13Å; H53-M56 CarbonylContact O-C 3.58Å; H53-M56 PolarHBondContact O-N 2.67Å; L54-M56 VanDerWaalsContact C-N 3.28Å; L54-M56 PolarHBondContact O-N 3.39Å; M56-D58 VanDerWaalsContact C-N 3.29Å; M56-D58 PolarHBondContact O-N 3.31Å; M56-S59 VanDerWaalsContact O-CB 3.29Å; M56-S59 WeakPolarHBondContact O-CB 3.26Å; M56-S59 PolarHBondContact O-N 3.36Å; M56-A63 HydrophobicContact CE-CB 4.25Å; M56-A63 WeakPolarHBondContact CE-O 3.19Å; M56-I65 HydrophobicContact CE-CG1 4.16Å; M56-I65 HydrophobicContact SD-CG1 4.43Å
57R86.1Confident81.1Confident56 Ų5667.6 Ų67.621%0.21136%0.361CS..THydrogen-bonded Turntrans-55.8-39.7-168.7-167.4179.2-171.6-150.11113.8E20 E35 H53E20-R57 IonicContact OE1-CZ 3.55Å; E20-R57 IonicContact OE1-NH1 3.43Å; E20-R57 PolarHBondContact OE1-NH1 3.42Å; E20-R57 IonicContact OE1-NH2 2.76Å; E20-R57 PolarHBondContact OE1-NH2 3.08Å; E35-R57 IonicContact OE1-CZ 3.63Å; E35-R57 IonicContact OE1-NE 3.64Å; E35-R57 IonicContact OE1-NH2 2.78Å; E35-R57 PolarHBondContact OE1-NH2 2.84Å; E35-R57 IonicContact OE2-CZ 3.31Å; E35-R57 VanDerWaalsContact OE2-CZ 3.31Å; E35-R57 IonicContact OE2-NE 2.68Å; E35-R57 PolarHBondContact OE2-NE 3.34Å; E35-R57 IonicContact OE2-NH2 3.2Å; E35-R57 PolarHBondContact OE2-NH2 2.85Å; H53-R57 WeakPolarHBondContact O-CA 3.24Å; H53-R57 VanDerWaalsContact O-CB 3.3Å; H53-R57 WeakPolarHBondContact O-CB 3.48Å; H53-R57 PolarHBondContact O-N 2.94Å
58D82.7Confident79.9Confident128 Ų12868.7 Ų68.768%0.68437%0.367SS*.THydrogen-bonded Turntrans-101.45.7180-67.4-23.5000112.2K19 M56K19-D58 IonicContact NZ-OD2 3.91Å; K19-D58 PolarHBondContact NZ-OD2 3.27Å; M56-D58 VanDerWaalsContact C-N 3.29Å; M56-D58 PolarHBondContact O-N 3.31Å
59S83.3Confident78.9Confident54 Ų5472 Ų7238%0.37838%0.381SS..SBendtrans-82.8152.9-179.9-60.40000111.5K55 M56K55-S59 PolarHBondContact O-OG 3.44Å; M56-S59 VanDerWaalsContact O-CB 3.29Å; M56-S59 WeakPolarHBondContact O-CB 3.26Å; M56-S59 PolarHBondContact O-N 3.36Å
60A80.5Confident77.6Confident60 Ų6077.3 Ų77.350%0.49640%0.402SS..  trans-62.8153.6172.800000110.9D62 A63A60-D62 WeakPolarHBondContact CB-OD1 3.35Å; A60-D62 PolarHBondContact O-N 3.16Å; A60-D62 VanDerWaalsContact O-N 3.15Å; A60-A63 HydrophobicContact CB-CB 4.39Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 3.48Å
61K73.7Confident76.1Confident224 Ų22481.4 Ų81.497%0.97442%0.424SS*.THydrogen-bonded Turntrans-61.5-24.4-177.5-75.7-173.3176.1-176.90113.8
62D76Confident74.8Confident141 Ų14188 Ų8875%0.75445%0.449SS*.THydrogen-bonded Turntrans-97.4-0.5177.460.9-30.5000112.9A60 V64A60-D62 WeakPolarHBondContact CB-OD1 3.35Å; A60-D62 PolarHBondContact O-N 3.16Å; A60-D62 VanDerWaalsContact O-N 3.15Å; D62-V64 PolarHBondContact O-N 2.88Å
63A76.2Confident73.5Confident38 Ų3885.9 Ų85.931%0.31444%0.444SS..PPolyproline II helixtrans-63.7131.8176.900000110.3M56 A60 I65M56-A63 HydrophobicContact CE-CB 4.25Å; M56-A63 WeakPolarHBondContact CE-O 3.19Å; A60-A63 HydrophobicContact CB-CB 4.39Å; A60-A63 WeakPolarHBondContact O-CB 3.41Å; A60-A63 PolarHBondContact O-N 3.48Å; A63-I65 PolarHBondContact O-N 3.26Å
64V69.8Low72Confident50 Ų5094.1 Ų94.130%0.30348%0.482SS..PPolyproline II helixtrans-67.9133.6178.8-174.60000109.2D62 P66 Q69 Y72D62-V64 PolarHBondContact O-N 2.88Å; V64-P66 WeakPolarHBondContact O-CD 3.42Å; V64-Q69 HydrophobicContact CG1-CB 3.73Å; V64-Q69 HydrophobicContact CG1-CG 4.24Å; V64-Y72 HydrophobicContact CG1-CD2 4.44Å; V64-Y72 HydrophobicContact CG1-CE1 4.3Å; V64-Y72 HydrophobicContact CG1-CE2 3.94Å; V64-Y72 HydrophobicContact CG2-CE1 4.13Å
65I70.5Confident70.5Confident64 Ų6497 Ų9733%0.32850%0.498SS..PPolyproline II helixtrans-61.3122.9173.4-60176.3000107.5Y52 M56 A63 G67 L68 Q69Y52-I65 HydrophobicContact CD1-CG2 4.17Å; Y52-I65 HydrophobicContact CE1-CG2 3.97Å; M56-I65 HydrophobicContact CE-CG1 4.16Å; M56-I65 HydrophobicContact SD-CG1 4.43Å; A63-I65 PolarHBondContact O-N 3.26Å; I65-G67 PolarHBondContact O-N 2.93Å; I65-L68 HydrophobicContact CB-CB 4.32Å; I65-L68 HydrophobicContact CB-CD1 4.06Å; I65-L68 HydrophobicContact CB-CG 4.18Å; I65-L68 HydrophobicContact CD1-CD1 3.9Å; I65-L68 HydrophobicContact CG1-CD1 4.37Å; I65-L68 HydrophobicContact CG2-CG 4.47Å; I65-L68 PolarHBondContact O-N 2.74Å; I65-Q69 PolarHBondContact O-N 3.06Å; I65-Q69 VanDerWaalsContact O-N 3.16Å
66P65.7Low69.1Low76 Ų76100.4 Ų100.449%0.49451%0.513SS..Hα-helixtrans-53.8-31.1-173.7-29.534.1000114.2V64V64-P66 WeakPolarHBondContact O-CD 3.42Å
67G62.4Low67.5Low31 Ų31104.6 Ų104.632%0.3253%0.53SS..Hα-helixtrans-73.3-23.1176.400000115I65 K70I65-G67 PolarHBondContact O-N 2.93Å; G67-K70 WeakPolarHBondContact O-CE 3.18Å; G67-K70 WeakPolarHBondContact O-CG 3.47Å
68L60.6Low65.9Low83 Ų83102.9 Ų102.944%0.43553%0.526SS..Hα-helixtrans-96-22.2179.7-67.1177.9000112.8I65 K70 D71 Y72I65-L68 HydrophobicContact CB-CB 4.32Å; I65-L68 HydrophobicContact CB-CD1 4.06Å; I65-L68 HydrophobicContact CB-CG 4.18Å; I65-L68 HydrophobicContact CD1-CD1 3.9Å; I65-L68 HydrophobicContact CG1-CD1 4.37Å; I65-L68 HydrophobicContact CG2-CG 4.47Å; I65-L68 PolarHBondContact O-N 2.74Å; L68-K70 PolarHBondContact O-N 3.26Å; L68-K70 VanDerWaalsContact O-N 3.16Å; L68-D71 PolarHBondContact O-N 3.39Å; L68-Y72 HydrophobicContact CB-CE2 4.33Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.28Å; L68-Y72 PolarHBondContact O-N 2.89Å
69Q64.4Low64.6Low128 Ų12898.4 Ų98.460%0.59851%0.506SS*.Hα-helixtrans-56.4-34.5-178.9-171175.91400112.5V64 I65 D71 Y72V64-Q69 HydrophobicContact CG1-CB 3.73Å; V64-Q69 HydrophobicContact CG1-CG 4.24Å; I65-Q69 PolarHBondContact O-N 3.06Å; I65-Q69 VanDerWaalsContact O-N 3.16Å; Q69-D71 PolarHBondContact O-N 3.4Å; Q69-Y72 PolarHBondContact O-N 2.92Å
70K59.4Low63.1Low159 Ų15998.6 Ų98.669%0.69150%0.503SS*.THydrogen-bonded Turntrans-64.3-20.3175.668.7178-169.4177.50114.1G67 L68G67-K70 WeakPolarHBondContact O-CE 3.18Å; G67-K70 WeakPolarHBondContact O-CG 3.47Å; L68-K70 PolarHBondContact O-N 3.26Å; L68-K70 VanDerWaalsContact O-N 3.16Å
71D57.4Low61.7Low102 Ų10297 Ų9755%0.54549%0.486SS..THydrogen-bonded Turntrans-103.2-0.4-175.7-58.4-41.6000111.9L68 Q69L68-D71 PolarHBondContact O-N 3.39Å; Q69-D71 PolarHBondContact O-N 3.4Å
72Y60.2Low60.7Low149 Ų14994 Ų9458%0.58447%0.468SS*.  trans-71.9136.2175.5-87.4-137.1000110V64 L68 Q69V64-Y72 HydrophobicContact CG1-CD2 4.44Å; V64-Y72 HydrophobicContact CG1-CE1 4.3Å; V64-Y72 HydrophobicContact CG1-CE2 3.94Å; V64-Y72 HydrophobicContact CG2-CE1 4.13Å; L68-Y72 HydrophobicContact CB-CE2 4.33Å; L68-Y72 VanDerWaalsContact O-CD2 3.28Å; L68-Y72 WeakPolarHBondContact O-CD2 3.28Å; L68-Y72 PolarHBondContact O-N 2.89Å; Q69-Y72 PolarHBondContact O-N 2.92Å
73E57.4Low59.4Low81 Ų8191.6 Ų91.638%0.37947%0.468SS..  trans-126.4127.3163.6-77.4-60.3-17200111.1T78 A79 R82E73-T78 HydrophobicContact CG-CG2 4.41Å; E73-A79 HydrophobicContact CB-CB 4.07Å; E73-R82 IonicContact OE1-CZ 3.98Å; E73-R82 IonicContact OE1-NH1 3.38Å; E73-R82 PolarHBondContact OE1-NH1 3.47Å; E73-R82 IonicContact OE1-NH2 3.96Å; E73-R82 PolarHBondContact OE1-NH2 3.36Å
74E58.7Low58Low203 Ų20394.4 Ų94.495%0.94947%0.471SS*.SBendtrans-74.6-31.1-179.2-67.6-172.7170.500112F76E74-F76 PolarHBondContact O-N 3.5Å
75D61.7Low57Low80 Ų8094.5 Ų94.543%0.42848%0.482SS..  trans-81.3114173.5178.532.2000111.2K77 T78 A79D75-K77 PolarHBondContact O-N 2.97Å; D75-K77 PolarHBondContact OD1-N 3Å; D75-K77 VanDerWaalsContact OD1-N 3.08Å; D75-K77 WeakPolarHBondContact OD2-CB 3.45Å; D75-T78 PolarHBondContact O-N 3.02Å; D75-T78 PolarHBondContact OD2-N 3.21Å; D75-T78 PolarHBondContact OD2-OG1 2.85Å; D75-A79 WeakPolarHBondContact O-CB 3.42Å; D75-A79 PolarHBondContact O-N 2.95Å
76F58.3Low56.5Low158 Ų15897.1 Ų97.169%0.69350%0.501SS*.Hα-helixtrans-57.1-33.2176-177.1-101.9000112.3E74 L80E74-F76 PolarHBondContact O-N 3.5Å; F76-L80 HydrophobicContact CE1-CD1 4.25Å; F76-L80 HydrophobicContact CZ-CD1 4.02Å; F76-L80 WeakPolarHBondContact O-CB 3.19Å; F76-L80 PolarHBondContact O-N 2.93Å
77K53.7Low56.9Low131 Ų13194.3 Ų94.357%0.5748%0.482SS*.Hα-helixtrans-72.7-45.5-179.1-166.9-177.4179.2-173.70111.2D75 L80 L81D75-K77 PolarHBondContact O-N 2.97Å; D75-K77 PolarHBondContact OD1-N 3Å; D75-K77 VanDerWaalsContact OD1-N 3.08Å; D75-K77 WeakPolarHBondContact OD2-CB 3.45Å; K77-L80 PolarHBondContact O-N 2.77Å; K77-L81 HydrophobicContact CG-CD1 4.3Å; K77-L81 WeakPolarHBondContact O-CB 3.41Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 2.71Å
78T52.1Low57.7Low21 Ų2197.3 Ų97.313%0.12949%0.487CS..Hα-helixtrans-63.4-40.3171.7-60.50000111.9E73 D75 L80 L81 R82 E136E73-T78 HydrophobicContact CG-CG2 4.41Å; D75-T78 PolarHBondContact O-N 3.02Å; D75-T78 PolarHBondContact OD2-N 3.21Å; D75-T78 PolarHBondContact OD2-OG1 2.85Å; T78-L80 PolarHBondContact O-N 3.47Å; T78-L81 PolarHBondContact O-N 3.48Å; T78-R82 WeakPolarHBondContact O-CB 3.3Å; T78-R82 PolarHBondContact O-N 3.32Å; T78-E136 PolarHBondContact OG1-OE1 3.33Å
79A55.2Low58.7Low33 Ų3396.3 Ų96.327%0.27349%0.486SS..Hα-helixtrans-60.9-43.9173.700000111.6E73 D75 R82 A83E73-A79 HydrophobicContact CB-CB 4.07Å; D75-A79 WeakPolarHBondContact O-CB 3.42Å; D75-A79 PolarHBondContact O-N 2.95Å; A79-R82 PolarHBondContact O-N 3.39Å; A79-A83 WeakPolarHBondContact O-CB 3.09Å; A79-A83 PolarHBondContact O-N 2.86Å
80L51.1Low59.7Low58 Ų5894.9 Ų94.930%0.30448%0.482SS..Hα-helixtrans-66.7-40.3177.2-159.184.4000111.5F76 K77 T78 A83 R84F76-L80 HydrophobicContact CE1-CD1 4.25Å; F76-L80 HydrophobicContact CZ-CD1 4.02Å; F76-L80 WeakPolarHBondContact O-CB 3.19Å; F76-L80 PolarHBondContact O-N 2.93Å; K77-L80 PolarHBondContact O-N 2.77Å; T78-L80 PolarHBondContact O-N 3.47Å; L80-A83 PolarHBondContact O-N 3.48Å; L80-R84 VanDerWaalsContact CD2-CZ 3.44Å; L80-R84 HydrophobicContact CG-CG 4.5Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 WeakPolarHBondContact O-CG 3.14Å; L80-R84 PolarHBondContact O-N 2.8Å
81L52Low61Low28 Ų2888.4 Ų88.415%0.14746%0.456CS..Hα-helixtrans-68.9-38.1177.1-74.3166.7000112.2K77 T78 R84 G85 P135 F177K77-L81 HydrophobicContact CG-CD1 4.3Å; K77-L81 WeakPolarHBondContact O-CB 3.41Å; K77-L81 VanDerWaalsContact O-CG 3.3Å; K77-L81 WeakPolarHBondContact O-CG 3.42Å; K77-L81 PolarHBondContact O-N 2.71Å; T78-L81 PolarHBondContact O-N 3.48Å; L81-R84 CarbonylContact O-C 3.54Å; L81-R84 VanDerWaalsContact O-C 3.31Å; L81-R84 PolarHBondContact O-N 3Å; L81-G85 VanDerWaalsContact O-CA 3.32Å; L81-G85 WeakPolarHBondContact O-CA 3.2Å; L81-G85 PolarHBondContact O-N 3.25Å; L81-P135 HydrophobicContact CD1-CB 4.16Å; L81-P135 HydrophobicContact CD1-CG 4.47Å; L81-P135 HydrophobicContact CD2-CG 4.29Å; L81-F177 HydrophobicContact CD2-CD1 4.45Å; L81-F177 HydrophobicContact CD2-CE1 3.91Å; L81-F177 HydrophobicContact CD2-CE2 4.36Å; L81-F177 HydrophobicContact CD2-CZ 3.86Å
82R51.9Low62.6Low159 Ų15983.5 Ų83.560%0.643%0.43SS*.Hα-helixtrans-67.1-44.8170.9-82.2-168.8178.1160.414.6111.8E73 T78 A79 R84 G85E73-R82 IonicContact OE1-CZ 3.98Å; E73-R82 IonicContact OE1-NH1 3.38Å; E73-R82 PolarHBondContact OE1-NH1 3.47Å; E73-R82 IonicContact OE1-NH2 3.96Å; E73-R82 PolarHBondContact OE1-NH2 3.36Å; T78-R82 WeakPolarHBondContact O-CB 3.3Å; T78-R82 PolarHBondContact O-N 3.32Å; A79-R82 PolarHBondContact O-N 3.39Å; R82-R84 PolarHBondContact O-N 3.35Å; R82-G85 PolarHBondContact O-N 3.45Å
83A48.1Very low63.9Low91 Ų9179.7 Ų79.775%0.75242%0.418SS*.Hα-helixtrans-63.4-32.9175.200000111.9A79 L80 G85A79-A83 WeakPolarHBondContact O-CB 3.09Å; A79-A83 PolarHBondContact O-N 2.86Å; L80-A83 PolarHBondContact O-N 3.48Å; A83-G85 VanDerWaalsContact C-N 3.34Å
84R46.8Very low65.6Low97 Ų9779.8 Ų79.837%0.36642%0.422SS..THydrogen-bonded Turntrans-87.810171.9-69.4174.4176.8-169.3-2.2113.5L80 L81 R82 T86 Q175L80-R84 VanDerWaalsContact CD2-CZ 3.44Å; L80-R84 HydrophobicContact CG-CG 4.5Å; L80-R84 WeakPolarHBondContact O-CB 3.08Å; L80-R84 WeakPolarHBondContact O-CG 3.14Å; L80-R84 PolarHBondContact O-N 2.8Å; L81-R84 CarbonylContact O-C 3.54Å; L81-R84 VanDerWaalsContact O-C 3.31Å; L81-R84 PolarHBondContact O-N 3Å; R82-R84 PolarHBondContact O-N 3.35Å; R84-T86 CarbonylContact O-C 3.34Å; R84-T86 VanDerWaalsContact O-C 3.24Å; R84-T86 PolarHBondContact O-N 3.49Å; R84-Q175 PolarHBondContact NH1-O 2.89Å
85G49.6Very low67.2Low53 Ų5370.1 Ų70.155%0.54638%0.377SS..  trans-54.5-9.2-16700000116.4L81 R82 A83L81-G85 VanDerWaalsContact O-CA 3.32Å; L81-G85 WeakPolarHBondContact O-CA 3.2Å; L81-G85 PolarHBondContact O-N 3.25Å; R82-G85 PolarHBondContact O-N 3.45Å; A83-G85 VanDerWaalsContact C-N 3.34Å
86T61Low68.8Low118 Ų11866.3 Ų66.372%0.72436%0.356SS*.SBendtrans-96.4103.5165.7-460000109.9R84 H88R84-T86 CarbonylContact O-C 3.34Å; R84-T86 VanDerWaalsContact O-C 3.24Å; R84-T86 PolarHBondContact O-N 3.49Å; T86-H88 PolarHBondContact O-N 2.75Å
87L73.5Confident70.4Confident18 Ų1864.5 Ų64.59%0.09435%0.348CS..  trans-60.8103.8164.2-176.869.1000108.1T91 I92 R116 Y118 F132 F177L87-T91 HydrophobicContact CD1-CG2 3.91Å; L87-I92 HydrophobicContact CD1-CG1 4.18Å; L87-I92 HydrophobicContact CD2-CD1 3.84Å; L87-I92 HydrophobicContact CD2-CG1 3.65Å; L87-I92 HydrophobicContact CG-CD1 4Å; L87-I92 HydrophobicContact CG-CG1 3.65Å; L87-R116 HydrophobicContact CD2-CB 3.97Å; L87-R116 HydrophobicContact CD2-CG 4.48Å; L87-Y118 HydrophobicContact CD2-CE2 4.01Å; L87-F132 HydrophobicContact CD1-CD1 4.04Å; L87-F132 HydrophobicContact CD1-CE1 4.11Å; L87-F132 HydrophobicContact CD1-CG 4.49Å; L87-F132 HydrophobicContact CD2-CB 3.83Å; L87-F132 HydrophobicContact CD2-CD1 3.87Å; L87-F132 HydrophobicContact CD2-CD2 3.6Å; L87-F132 HydrophobicContact CD2-CE1 4.36Å; L87-F132 HydrophobicContact CD2-CE2 4.11Å; L87-F132 HydrophobicContact CD2-CG 3.47Å; L87-F132 VanDerWaalsContact CD2-CG 3.47Å; L87-F132 HydrophobicContact CD2-CZ 4.46Å; L87-F177 HydrophobicContact CD1-CD2 4.36Å; L87-F177 HydrophobicContact CD1-CE2 4.47Å
88H79.7Confident72.2Confident93 Ų9364.1 Ų64.143%0.43135%0.348SS..  trans-73.2144.5-177.9-162.5-98.7000109.8T86 D90 T91 I92T86-H88 PolarHBondContact O-N 2.75Å; H88-D90 IonicContact CE1-OD2 2.69Å; H88-D90 PolarHBondContact CE1-OD2 3.2Å; H88-D90 VanDerWaalsContact ND1-CG 3.33Å; H88-D90 PolarHBondContact ND1-N 2.92Å; H88-D90 IonicContact ND1-OD2 2.74Å; H88-D90 PolarHBondContact ND1-OD2 3.04Å; H88-D90 PolarHBondContact O-N 3.22Å; H88-D90 VanDerWaalsContact O-N 3.13Å; H88-T91 WeakPolarHBondContact O-CB 3.38Å; H88-T91 PolarHBondContact O-N 3.31Å; H88-I92 PolarHBondContact O-N 2.97Å
89P81Confident74.1Confident63 Ų6365.2 Ų65.241%0.40935%0.352SS..Hα-helixtrans-46.4-41.5172.6-32.737.9000113.6T91 I92 M93 L107P89-T91 PolarHBondContact O-N 2.71Å; P89-I92 WeakPolarHBondContact O-CB 3.41Å; P89-I92 PolarHBondContact O-N 2.96Å; P89-I92 VanDerWaalsContact O-N 3.13Å; P89-M93 VanDerWaalsContact O-CG 3.32Å; P89-M93 WeakPolarHBondContact O-CG 3.38Å; P89-M93 PolarHBondContact O-N 3.33Å; P89-L107 HydrophobicContact CB-CD2 3.95Å
90D84.4Confident75.7Confident97 Ų9766.2 Ų66.252%0.51937%0.366SS..Hα-helixtrans-62.1-40.7177.9-58.1-26000112.5H88 I92 M93 D94H88-D90 IonicContact CE1-OD2 2.69Å; H88-D90 PolarHBondContact CE1-OD2 3.2Å; H88-D90 VanDerWaalsContact ND1-CG 3.33Å; H88-D90 PolarHBondContact ND1-N 2.92Å; H88-D90 IonicContact ND1-OD2 2.74Å; H88-D90 PolarHBondContact ND1-OD2 3.04Å; H88-D90 PolarHBondContact O-N 3.22Å; H88-D90 VanDerWaalsContact O-N 3.13Å; D90-I92 PolarHBondContact O-N 3.43Å; D90-M93 PolarHBondContact O-N 2.95Å; D90-D94 WeakPolarHBondContact O-CB 3.32Å; D90-D94 VanDerWaalsContact O-CG 3.26Å; D90-D94 PolarHBondContact O-N 2.84Å
91T87.7Confident77.5Confident23 Ų2364.2 Ų64.214%0.14136%0.355CS..Hα-helixtrans-62.2-34.4176.2-51.50000111.7L87 H88 P89 A95L87-T91 HydrophobicContact CD1-CG2 3.91Å; H88-T91 WeakPolarHBondContact O-CB 3.38Å; H88-T91 PolarHBondContact O-N 3.31Å; P89-T91 PolarHBondContact O-N 2.71Å; T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.32Å; T91-A95 PolarHBondContact O-N 2.99Å; T91-A95 VanDerWaalsContact O-N 3.08Å
92I90.3Very high79.4Confident0 Ų067 Ų670%036%0.364CS..Hα-helixtrans-69.8-46.3176.5-58.2164.8000110.2L87 H88 P89 D90 A95 L96 L107 Y118 V130 F132L87-I92 HydrophobicContact CD1-CG1 4.18Å; L87-I92 HydrophobicContact CD2-CD1 3.84Å; L87-I92 HydrophobicContact CD2-CG1 3.65Å; L87-I92 HydrophobicContact CG-CD1 4Å; L87-I92 HydrophobicContact CG-CG1 3.65Å; H88-I92 PolarHBondContact O-N 2.97Å; P89-I92 WeakPolarHBondContact O-CB 3.41Å; P89-I92 PolarHBondContact O-N 2.96Å; P89-I92 VanDerWaalsContact O-N 3.13Å; D90-I92 PolarHBondContact O-N 3.43Å; I92-A95 PolarHBondContact O-N 3.05Å; I92-L96 HydrophobicContact CG2-CD1 3.99Å; I92-L96 HydrophobicContact CG2-CG 4.46Å; I92-L96 VanDerWaalsContact O-CG 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.32Å; I92-L96 PolarHBondContact O-N 2.93Å; I92-L107 HydrophobicContact CB-CD1 4.34Å; I92-L107 HydrophobicContact CB-CD2 4.5Å; I92-L107 HydrophobicContact CD1-CD2 4.46Å; I92-L107 HydrophobicContact CG2-CD1 3.61Å; I92-Y118 HydrophobicContact CD1-CD1 4.14Å; I92-Y118 HydrophobicContact CD1-CD2 3.68Å; I92-Y118 HydrophobicContact CD1-CE1 3.82Å; I92-Y118 HydrophobicContact CD1-CE2 3.33Å; I92-Y118 HydrophobicContact CD1-CG 4.08Å; I92-Y118 VanDerWaalsContact CD1-CZ 3.41Å; I92-Y118 HydrophobicContact CG1-CE2 4.41Å; I92-V130 HydrophobicContact CG2-CG1 3.98Å; I92-F132 HydrophobicContact CB-CE2 4.18Å; I92-F132 HydrophobicContact CB-CZ 4.28Å; I92-F132 HydrophobicContact CG1-CE2 3.88Å; I92-F132 HydrophobicContact CG1-CZ 4.13Å; I92-F132 HydrophobicContact CG2-CE2 3.67Å; I92-F132 HydrophobicContact CG2-CZ 4.07Å
93M88.7Confident81.2Confident68 Ų6860.7 Ų60.734%0.33534%0.343SS..Hα-helixtrans-61.6-44.4178.9-66.4-70.4-69.400111.2P89 D90 L96 F97 V103 L107P89-M93 VanDerWaalsContact O-CG 3.32Å; P89-M93 WeakPolarHBondContact O-CG 3.38Å; P89-M93 PolarHBondContact O-N 3.33Å; D90-M93 PolarHBondContact O-N 2.95Å; M93-L96 PolarHBondContact O-N 2.9Å; M93-F97 WeakPolarHBondContact O-CB 3.28Å; M93-F97 PolarHBondContact O-N 3.24Å; M93-V103 HydrophobicContact CE-CB 3.66Å; M93-V103 HydrophobicContact CE-CG1 4.2Å; M93-V103 HydrophobicContact CE-CG2 4.25Å; M93-V103 HydrophobicContact SD-CB 3.58Å; M93-V103 VanDerWaalsContact SD-CB 3.58Å; M93-V103 HydrophobicContact SD-CG1 3.87Å; M93-V103 HydrophobicContact SD-CG2 3.65Å; M93-L107 HydrophobicContact CG-CD2 4.24Å; M93-L107 HydrophobicContact SD-CD2 4.29Å
94D92Very high83.2Confident84 Ų8461 Ų6145%0.44933%0.332SS..Hα-helixtrans-62.4-44.4176.9-72-18.4000111.7D90 L96 F97 E98D90-D94 WeakPolarHBondContact O-CB 3.32Å; D90-D94 VanDerWaalsContact O-CG 3.26Å; D90-D94 PolarHBondContact O-N 2.84Å; D94-L96 PolarHBondContact O-N 3.16Å; D94-F97 PolarHBondContact O-N 3.04Å; D94-E98 WeakPolarHBondContact O-CB 3.22Å; D94-E98 PolarHBondContact O-N 3.35Å
95A93.4Very high85.1Confident0 Ų058.8 Ų58.80%033%0.332CS..Hα-helixtrans-60-44177.400000112.4T91 I92 H99 F132 H174 F179T91-A95 VanDerWaalsContact O-CB 3.28Å; T91-A95 WeakPolarHBondContact O-CB 3.32Å; T91-A95 PolarHBondContact O-N 2.99Å; T91-A95 VanDerWaalsContact O-N 3.08Å; I92-A95 PolarHBondContact O-N 3.05Å; A95-H99 PolarHBondContact O-ND1 2.84Å; A95-F132 HydrophobicContact CB-CE1 4.27Å; A95-F132 HydrophobicContact CB-CZ 3.98Å; A95-H174 HydrophobicContact CB-CB 3.48Å; A95-H174 VanDerWaalsContact CB-CB 3.48Å; A95-F179 HydrophobicContact CB-CE1 3.93Å; A95-F179 HydrophobicContact CB-CZ 3.91Å
96L93.7Very high86.8Confident0 Ų058.9 Ų58.90%033%0.333CS..Hα-helixtrans-67.2-43.4176.1-69.2173.3000111I92 M93 D94 E98 H99 G100 I101 V103 F120 V130 F179 V181I92-L96 HydrophobicContact CG2-CD1 3.99Å; I92-L96 HydrophobicContact CG2-CG 4.46Å; I92-L96 VanDerWaalsContact O-CG 3.3Å; I92-L96 WeakPolarHBondContact O-CG 3.32Å; I92-L96 PolarHBondContact O-N 2.93Å; M93-L96 PolarHBondContact O-N 2.9Å; D94-L96 PolarHBondContact O-N 3.16Å; L96-E98 VanDerWaalsContact C-N 3.35Å; L96-E98 PolarHBondContact O-N 3.08Å; L96-H99 PolarHBondContact O-N 2.96Å; L96-H99 VanDerWaalsContact O-N 3.16Å; L96-G100 PolarHBondContact O-N 3.46Å; L96-I101 CarbonylContact C-O 3.54Å; L96-I101 HydrophobicContact CB-CB 4.07Å; L96-I101 HydrophobicContact CB-CG2 4.31Å; L96-I101 HydrophobicContact CD2-CB 4.48Å; L96-I101 HydrophobicContact CD2-CD1 3.68Å; L96-I101 HydrophobicContact CD2-CG2 4.41Å; L96-I101 WeakPolarHBondContact O-CB 3.34Å; L96-I101 PolarHBondContact O-N 3.39Å; L96-V103 HydrophobicContact CD1-CG2 3.5Å; L96-F120 HydrophobicContact CD1-CD1 4.31Å; L96-F120 HydrophobicContact CD1-CE1 3.99Å; L96-F120 HydrophobicContact CD1-CE2 4.48Å; L96-F120 HydrophobicContact CD1-CZ 4.06Å; L96-F120 HydrophobicContact CD2-CE1 4.24Å; L96-F120 HydrophobicContact CD2-CZ 4.08Å; L96-V130 HydrophobicContact CD1-CG1 4.38Å; L96-V130 HydrophobicContact CD2-CB 4.22Å; L96-V130 HydrophobicContact CD2-CG2 4.03Å; L96-F179 HydrophobicContact CD2-CE2 4.39Å; L96-V181 HydrophobicContact CD2-CG2 3.78Å
97F92.6Very high88.1Confident119 Ų11954.6 Ų54.652%0.52231%0.305SS..Hα-helixtrans-60.8-41.8-179.3-177.9-86000112.7M93 D94 H99 G100 I101 R102M93-F97 WeakPolarHBondContact O-CB 3.28Å; M93-F97 PolarHBondContact O-N 3.24Å; D94-F97 PolarHBondContact O-N 3.04Å; F97-H99 PolarHBondContact O-N 3.26Å; F97-G100 PolarHBondContact O-N 3.45Å; F97-I101 WeakPolarHBondContact CA-O 3.46Å; F97-I101 PolarHBondContact N-O 3.42Å; F97-R102 VanDerWaalsContact CZ-NH2 3.26Å; F97-R102 PolarHBondContact O-NH1 2.96Å
98E92.2Very high88.9Confident123 Ų12357.4 Ų57.458%0.57532%0.323SS*.Hα-helixtrans-56.8-32.1177.3-176.3174-175.500112.4D94 L96 G100 H174D94-E98 WeakPolarHBondContact O-CB 3.22Å; D94-E98 PolarHBondContact O-N 3.35Å; L96-E98 VanDerWaalsContact C-N 3.35Å; L96-E98 PolarHBondContact O-N 3.08Å; E98-G100 VanDerWaalsContact C-N 3.35Å; E98-H174 IonicContact OE2-CE1 3.59Å; E98-H174 PolarHBondContact OE2-CE1 3.42Å; E98-H174 IonicContact OE2-CG 3.34Å; E98-H174 IonicContact OE2-ND1 3.79Å; E98-H174 PolarHBondContact OE2-ND1 2.95Å
99H91.4Very high89.3Confident44 Ų4457.3 Ų57.320%0.20433%0.33CS..THydrogen-bonded Turntrans-96.613.3180-63.280.8000113A95 L96 F97 I101 F166 L172 F179A95-H99 PolarHBondContact O-ND1 2.84Å; L96-H99 PolarHBondContact O-N 2.96Å; L96-H99 VanDerWaalsContact O-N 3.16Å; F97-H99 PolarHBondContact O-N 3.26Å; H99-I101 VanDerWaalsContact C-N 3.34Å; H99-F166 HydrophobicContact CB-CD1 4.46Å; H99-L172 HydrophobicContact CB-CD1 4.3Å; H99-F179 AromaticContact CE1-CZ 3.85Å; H99-F179 AromaticContact ND1-CZ 3.69Å
100G89.3Confident89.6Confident55 Ų5557.6 Ų57.657%0.56733%0.328SS*.THydrogen-bonded Turntrans82.37.3176.300000114.7L96 F97 E98L96-G100 PolarHBondContact O-N 3.46Å; F97-G100 PolarHBondContact O-N 3.45Å; E98-G100 VanDerWaalsContact C-N 3.35Å
101I88.9Confident89.6Confident16 Ų1659.4 Ų59.48%0.08234%0.338CS..  trans-86.5129.2176.8-55.7166.6000108.3L96 F97 H99 F120 F166 V181L96-I101 CarbonylContact C-O 3.54Å; L96-I101 HydrophobicContact CB-CB 4.07Å; L96-I101 HydrophobicContact CB-CG2 4.31Å; L96-I101 HydrophobicContact CD2-CB 4.48Å; L96-I101 HydrophobicContact CD2-CD1 3.68Å; L96-I101 HydrophobicContact CD2-CG2 4.41Å; L96-I101 WeakPolarHBondContact O-CB 3.34Å; L96-I101 PolarHBondContact O-N 3.39Å; F97-I101 WeakPolarHBondContact CA-O 3.46Å; F97-I101 PolarHBondContact N-O 3.42Å; H99-I101 VanDerWaalsContact C-N 3.34Å; I101-F120 HydrophobicContact CG2-CE2 3.61Å; I101-F120 HydrophobicContact CG2-CZ 3.85Å; I101-F166 HydrophobicContact CD1-CD1 4.45Å; I101-F166 HydrophobicContact CD1-CE1 3.57Å; I101-F166 HydrophobicContact CD1-CE2 4.21Å; I101-F166 HydrophobicContact CD1-CZ 3.43Å; I101-F166 VanDerWaalsContact CD1-CZ 3.43Å; I101-F166 HydrophobicContact CG1-CD1 4.46Å; I101-F166 HydrophobicContact CG1-CE1 3.6Å; I101-F166 HydrophobicContact CG1-CZ 3.97Å; I101-V181 HydrophobicContact CD1-CB 4.5Å; I101-V181 HydrophobicContact CD1-CG1 4.4Å; I101-V181 HydrophobicContact CD1-CG2 3.81Å
102R91.2Very high89.5Confident85 Ų8559.8 Ų59.832%0.32134%0.342SS..  trans-111.6114.8174.5-61.2-65.8178.3-963.3108.3F97 D104 D122 E123F97-R102 VanDerWaalsContact CZ-NH2 3.26Å; F97-R102 PolarHBondContact O-NH1 2.96Å; R102-D104 PolarHBondContact O-N 3.04Å; R102-D122 WeakPolarHBondContact O-CA 2.82Å; R102-D122 WeakPolarHBondContact O-CB 3.27Å; R102-E123 HydrophobicContact CB-CB 4.49Å; R102-E123 HydrophobicContact CB-CG 3.62Å; R102-E123 WeakPolarHBondContact CB-OE1 3.43Å; R102-E123 PolarHBondContact O-N 3.13Å
103V89.9Confident89.2Confident27 Ų2762.7 Ų62.716%0.16435%0.353CS..EExtended strand (participates in β ladder)trans-79.2116.8175.6178.30000108.1M93 L96 F120M93-V103 HydrophobicContact CE-CB 3.66Å; M93-V103 HydrophobicContact CE-CG1 4.2Å; M93-V103 HydrophobicContact CE-CG2 4.25Å; M93-V103 HydrophobicContact SD-CB 3.58Å; M93-V103 VanDerWaalsContact SD-CB 3.58Å; M93-V103 HydrophobicContact SD-CG1 3.87Å; M93-V103 HydrophobicContact SD-CG2 3.65Å; L96-V103 HydrophobicContact CD1-CG2 3.5Å; V103-F120 HydrophobicContact CB-CD2 4.31Å; V103-F120 HydrophobicContact CG1-CB 3.94Å; V103-F120 HydrophobicContact CG1-CD2 4.19Å; V103-F120 HydrophobicContact CG1-CG 4.38Å; V103-F120 HydrophobicContact CG2-CD2 3.68Å; V103-F120 HydrophobicContact CG2-CE2 4.04Å; V103-F120 HydrophobicContact CG2-CG 4.12Å
104D89.2Confident89.2Confident98 Ų9860.4 Ų60.452%0.52434%0.342SS..EExtended strand (participates in β ladder)trans-84.8-44.2176.5176.264.4000111R102 Q121 D122 E123R102-D104 PolarHBondContact O-N 3.04Å; D104-Q121 PolarHBondContact N-O 2.73Å; D104-D122 WeakPolarHBondContact CB-O 3.16Å; D104-E123 HydrophobicContact CB-CG 4.34Å
105S88.6Confident89.2Confident51 Ų5156.5 Ų56.536%0.35732%0.32SS..EExtended strand (participates in β ladder)trans-155.6166.1179.261.40000112.9Q121S105-Q121 PolarHBondContact N-O 2.67Å; S105-Q121 PolarHBondContact O-N 3.13Å
106G85Confident89Confident55 Ų5560.1 Ų60.157%0.56733%0.334SS*.EExtended strand (participates in β ladder)trans95.9-122.2179.700000112.5
107L88.2Confident89Confident28 Ų2861 Ų6115%0.14734%0.34CS..EExtended strand (participates in β ladder)trans66.439.4-162.1-153.773.5000112.9P89 I92 M93 Y118 Q119P89-L107 HydrophobicContact CB-CD2 3.95Å; I92-L107 HydrophobicContact CB-CD1 4.34Å; I92-L107 HydrophobicContact CB-CD2 4.5Å; I92-L107 HydrophobicContact CD1-CD2 4.46Å; I92-L107 HydrophobicContact CG2-CD1 3.61Å; M93-L107 HydrophobicContact CG-CD2 4.24Å; M93-L107 HydrophobicContact SD-CD2 4.29Å; L107-Y118 HydrophobicContact CD1-CG 4.35Å; L107-Y118 HydrophobicContact CG-CD1 4.21Å; L107-Q119 CarbonylContact C-O 3.44Å; L107-Q119 VanDerWaalsContact CA-O 3.26Å; L107-Q119 WeakPolarHBondContact CA-O 3.42Å; L107-Q119 PolarHBondContact N-O 3.4Å
108T89.1Confident89.1Confident77 Ų7756.9 Ų56.947%0.47232%0.321SS..EExtended strand (participates in β ladder)trans-77.4123.4178.2-53.30000109.4L110 Y118 Q119T108-L110 PolarHBondContact O-N 3.26Å; T108-Y118 CarbonylContact O-C 3.51Å; T108-Y118 VanDerWaalsContact O-CA 3.31Å; T108-Y118 WeakPolarHBondContact O-CA 3.32Å; T108-Q119 PolarHBondContact N-O 2.73Å; T108-Q119 PolarHBondContact O-N 3.05Å
109P88.8Confident89.2Confident90 Ų9053.9 Ų53.958%0.58431%0.307SS*.EExtended strand (participates in β ladder)trans-64.5131.1173.726.6-33000110.3Y118P109-Y118 HydrophobicContact CB-CD1 4.04Å; P109-Y118 HydrophobicContact CB-CE1 3.9Å
110L88.1Confident89.4Confident70 Ų7052 Ų5237%0.36630%0.298SS..PPolyproline II helixtrans-89.3159.8171.5-61-173.5000110.4T108 S112 V117 Q119 V129T108-L110 PolarHBondContact O-N 3.26Å; L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.01Å; L110-V117 HydrophobicContact CB-CB 4.27Å; L110-V117 HydrophobicContact CB-CG1 4.14Å; L110-V117 HydrophobicContact CD1-CG1 3.89Å; L110-V117 HydrophobicContact CG-CG1 4.33Å; L110-V117 PolarHBondContact N-O 3.33Å; L110-Q119 HydrophobicContact CD1-CB 4.29Å; L110-Q119 HydrophobicContact CD2-CB 4.05Å; L110-Q119 HydrophobicContact CG-CB 4.22Å; L110-V129 HydrophobicContact CD1-CG1 4.29Å; L110-V129 HydrophobicContact CD1-CG2 4.04Å
111N83.8Confident89.6Confident135 Ų13551.6 Ų51.672%0.72228%0.281SS*.SBendtrans-7378.2-179.6-173.430.9000111.3Y113N111-Y113 WeakPolarHBondContact OD1-CE2 3.28Å; N111-Y113 PolarHBondContact OD1-OH 2.9Å
112S85.1Confident89.8Confident31 Ų3151.6 Ų51.622%0.21728%0.282CS..  trans-129122.6175.3-171.30000110.1L110 N115L110-S112 VanDerWaalsContact C-N 3.28Å; L110-S112 PolarHBondContact O-N 3.01Å; S112-N115 WeakPolarHBondContact CB-O 3.33Å; S112-N115 PolarHBondContact OG-O 3.35Å; S112-N115 VanDerWaalsContact OG-O 3.14Å
113Y84.5Confident89.8Confident60 Ų6053.7 Ų53.724%0.23530%0.295CS..SBendtrans-93-22.4-174-67.8-69.2000113.8N111 R360 N369 F370N111-Y113 WeakPolarHBondContact OD1-CE2 3.28Å; N111-Y113 PolarHBondContact OD1-OH 2.9Å; Y113-R360 PolarHBondContact O-NH2 3.23Å; Y113-N369 HydrophobicContact CE1-CB 4.06Å; Y113-F370 HydrophobicContact CD1-CE2 4.44Å; Y113-F370 HydrophobicContact CD2-CZ 4.41Å; Y113-F370 HydrophobicContact CE1-CE2 4.48Å; Y113-F370 HydrophobicContact CE2-CZ 4.28Å
114E87.8Confident89.9Confident21 Ų2157.9 Ų57.910%0.09832%0.316CS..SBendtrans-95.5-58.9-177.6-168.358.5-9600110.2R134 R137 W356 R360E114-R134 WeakPolarHBondContact OE1-CD 3.29Å; E114-R134 IonicContact OE1-CZ 3.06Å; E114-R134 IonicContact OE1-NE 3.88Å; E114-R134 IonicContact OE1-NH1 2.97Å; E114-R134 PolarHBondContact OE1-NH1 2.88Å; E114-R134 IonicContact OE2-NH1 3.02Å; E114-R137 VanDerWaalsContact CG-CZ 3.43Å; E114-W356 PolarHBondContact OE2-NE1 3.08Å; E114-R360 IonicContact OE1-CZ 2.68Å; E114-R360 IonicContact OE1-NE 2.92Å
115N91.7Very high89.9Confident1 Ų162.6 Ų62.61%0.00533%0.327CS..SBendtrans-95158.5175.5-66.8-39.6000111.2S112 V117 K131 F132 Y133 R134 D295S112-N115 WeakPolarHBondContact CB-O 3.33Å; S112-N115 PolarHBondContact OG-O 3.35Å; S112-N115 VanDerWaalsContact OG-O 3.14Å; N115-V117 HydrophobicContact CB-CG2 4.21Å; N115-K131 HydrophobicContact CB-CG 4.1Å; N115-K131 WeakPolarHBondContact ND2-CE 3.48Å; N115-F132 WeakPolarHBondContact CB-O 3.46Å; N115-Y133 WeakPolarHBondContact OD1-CA 3.32Å; N115-R134 PolarHBondContact OD1-N 3.33Å; N115-D295 PolarHBondContact ND2-OD1 3.13Å; N115-D295 PolarHBondContact ND2-OD2 2.98Å
116R90.8Very high90.2Very high77 Ų7767.5 Ų67.529%0.29134%0.337SS..EExtended strand (participates in β ladder)trans-95.4110.3174-58.6-60.3-175.8-155.6-3.3108.9L87 Y118 F132 D363L87-R116 HydrophobicContact CD2-CB 3.97Å; L87-R116 HydrophobicContact CD2-CG 4.48Å; R116-Y118 HydrophobicContact CB-CE2 3.79Å; R116-F132 HydrophobicContact CB-CB 4.25Å; R116-F132 PolarHBondContact N-O 3.44Å; R116-F132 PolarHBondContact O-N 3.39Å; R116-D363 IonicContact CZ-OD2 3.69Å; R116-D363 IonicContact NH2-OD1 3.99Å; R116-D363 IonicContact NH2-OD2 3.4Å; R116-D363 PolarHBondContact NH2-OD2 3.15Å
117V93.5Very high90.7Very high19 Ų1972.6 Ų72.612%0.11534%0.34CS..EExtended strand (participates in β ladder)trans-118.1128.4-170.5-173.10000109.8L110 N115 V129 V130 K131L110-V117 HydrophobicContact CB-CB 4.27Å; L110-V117 HydrophobicContact CB-CG1 4.14Å; L110-V117 HydrophobicContact CD1-CG1 3.89Å; L110-V117 HydrophobicContact CG-CG1 4.33Å; L110-V117 PolarHBondContact N-O 3.33Å; N115-V117 HydrophobicContact CB-CG2 4.21Å; V117-V129 HydrophobicContact CG1-CG1 3.23Å; V117-V130 CarbonylContact C-O 3.6Å; V117-V130 WeakPolarHBondContact CA-O 3.4Å; V117-K131 HydrophobicContact CG2-CB 4.37Å; V117-K131 HydrophobicContact CG2-CG 4.11Å
118Y94Very high91.1Very high32 Ų3272.8 Ų72.813%0.12534%0.339CS..EExtended strand (participates in β ladder)trans-131.4137.2-178.8-57.2-99.3000110.8L87 I92 L107 T108 P109 R116 V129 V130L87-Y118 HydrophobicContact CD2-CE2 4.01Å; I92-Y118 HydrophobicContact CD1-CD1 4.14Å; I92-Y118 HydrophobicContact CD1-CD2 3.68Å; I92-Y118 HydrophobicContact CD1-CE1 3.82Å; I92-Y118 HydrophobicContact CD1-CE2 3.33Å; I92-Y118 HydrophobicContact CD1-CG 4.08Å; I92-Y118 VanDerWaalsContact CD1-CZ 3.41Å; I92-Y118 HydrophobicContact CG1-CE2 4.41Å; L107-Y118 HydrophobicContact CD1-CG 4.35Å; L107-Y118 HydrophobicContact CG-CD1 4.21Å; T108-Y118 CarbonylContact O-C 3.51Å; T108-Y118 VanDerWaalsContact O-CA 3.31Å; T108-Y118 WeakPolarHBondContact O-CA 3.32Å; P109-Y118 HydrophobicContact CB-CD1 4.04Å; P109-Y118 HydrophobicContact CB-CE1 3.9Å; R116-Y118 HydrophobicContact CB-CE2 3.79Å; Y118-V129 CarbonylContact O-C 3.6Å; Y118-V129 VanDerWaalsContact O-CA 3.3Å; Y118-V129 WeakPolarHBondContact O-CA 3.35Å; Y118-V130 HydrophobicContact CD2-CG1 4.43Å; Y118-V130 PolarHBondContact N-O 3.38Å; Y118-V130 PolarHBondContact O-N 3.15Å
119Q94.8Very high91.4Very high60 Ų6070.1 Ų70.128%0.2832%0.323SS..EExtended strand (participates in β ladder)trans-97.5135.5172.4-170.8-178.235.900110.2L107 T108 L110 F128 V129 S184L107-Q119 CarbonylContact C-O 3.44Å; L107-Q119 VanDerWaalsContact CA-O 3.26Å; L107-Q119 WeakPolarHBondContact CA-O 3.42Å; L107-Q119 PolarHBondContact N-O 3.4Å; T108-Q119 PolarHBondContact N-O 2.73Å; T108-Q119 PolarHBondContact O-N 3.05Å; L110-Q119 HydrophobicContact CD1-CB 4.29Å; L110-Q119 HydrophobicContact CD2-CB 4.05Å; L110-Q119 HydrophobicContact CG-CB 4.22Å; Q119-F128 WeakPolarHBondContact CA-O 3.39Å; Q119-V129 HydrophobicContact CB-CG2 4.44Å; Q119-V129 HydrophobicContact CG-CG2 4.39Å; Q119-S184 PolarHBondContact NE2-OG 3.16Å
120F94.6Very high91.8Very high4 Ų465.9 Ų65.92%0.01830%0.295CS..EExtended strand (participates in β ladder)trans-145.2166.5177.970.2-86.1000111.7L96 I101 V103 R127 F128 V130 V181L96-F120 HydrophobicContact CD1-CD1 4.31Å; L96-F120 HydrophobicContact CD1-CE1 3.99Å; L96-F120 HydrophobicContact CD1-CE2 4.48Å; L96-F120 HydrophobicContact CD1-CZ 4.06Å; L96-F120 HydrophobicContact CD2-CE1 4.24Å; L96-F120 HydrophobicContact CD2-CZ 4.08Å; I101-F120 HydrophobicContact CG2-CE2 3.61Å; I101-F120 HydrophobicContact CG2-CZ 3.85Å; V103-F120 HydrophobicContact CB-CD2 4.31Å; V103-F120 HydrophobicContact CG1-CB 3.94Å; V103-F120 HydrophobicContact CG1-CD2 4.19Å; V103-F120 HydrophobicContact CG1-CG 4.38Å; V103-F120 HydrophobicContact CG2-CD2 3.68Å; V103-F120 HydrophobicContact CG2-CE2 4.04Å; V103-F120 HydrophobicContact CG2-CG 4.12Å; F120-R127 WeakPolarHBondContact O-CA 3.43Å; F120-F128 HydrophobicContact CD1-CB 4.2Å; F120-F128 HydrophobicContact CD2-CB 4.49Å; F120-F128 HydrophobicContact CE1-CB 3.58Å; F120-F128 HydrophobicContact CE2-CB 3.92Å; F120-F128 AromaticContact CE2-CD2 3.98Å; F120-F128 HydrophobicContact CE2-CD2 3.98Å; F120-F128 HydrophobicContact CE2-CG 4.34Å; F120-F128 HydrophobicContact CZ-CB 3.44Å; F120-F128 VanDerWaalsContact CZ-CB 3.44Å; F120-F128 HydrophobicContact CZ-CD2 4.17Å; F120-F128 HydrophobicContact CZ-CG 4.08Å; F120-F128 PolarHBondContact N-O 3.49Å; F120-F128 PolarHBondContact O-N 3.24Å; F120-V130 HydrophobicContact CD1-CG1 4.18Å; F120-V130 HydrophobicContact CE1-CB 3.96Å; F120-V130 HydrophobicContact CE1-CG1 4.1Å; F120-V181 HydrophobicContact CE1-CG1 4.45Å; F120-V181 HydrophobicContact CZ-CG1 4.22Å
121Q95.1Very high92.2Very high46 Ų4663.3 Ų63.322%0.21528%0.281CS..EExtended strand (participates in β ladder)trans-115.8135.3172-172.5168.619.800109.1D104 S105 R125 R126D104-Q121 PolarHBondContact N-O 2.73Å; S105-Q121 PolarHBondContact N-O 2.67Å; S105-Q121 PolarHBondContact O-N 3.13Å; Q121-R125 VanDerWaalsContact NE2-C 3.33Å; Q121-R125 VanDerWaalsContact NE2-CB 3.34Å; Q121-R125 PolarHBondContact NE2-O 2.96Å; Q121-R126 VanDerWaalsContact CA-O 3.29Å; Q121-R126 WeakPolarHBondContact CA-O 3.25Å
122D92Very high92.7Very high17 Ų1757.1 Ų57.19%0.09125%0.248CC..EExtended strand (participates in β ladder)trans-84.8173.8175.676.9-7.5000112.6R102 D104 D124 R125 R126 F128R102-D122 WeakPolarHBondContact O-CA 2.82Å; R102-D122 WeakPolarHBondContact O-CB 3.27Å; D104-D122 WeakPolarHBondContact CB-O 3.16Å; D122-D124 PolarHBondContact O-N 3.08Å; D122-D124 VanDerWaalsContact OD1-C 3.3Å; D122-D124 WeakPolarHBondContact OD1-CA 3.3Å; D122-D124 PolarHBondContact OD1-N 2.95Å; D122-D124 VanDerWaalsContact OD1-N 3.11Å; D122-R125 WeakPolarHBondContact O-CA 3.45Å; D122-R125 PolarHBondContact O-N 3.34Å; D122-R125 PolarHBondContact OD1-N 2.9Å; D122-R126 PolarHBondContact N-O 3.31Å; D122-R126 WeakPolarHBondContact OD1-CA 3.33Å; D122-R126 WeakPolarHBondContact OD1-CB 3.04Å; D122-R126 PolarHBondContact OD1-N 3.44Å; D122-F128 HydrophobicContact CB-CD2 4.36Å; D122-F128 HydrophobicContact CB-CE2 4.16Å; D122-F128 WeakPolarHBondContact OD2-CE2 3.47Å
123E90.9Very high93.2Very high128 Ų12855.9 Ų55.960%0.59824%0.239SC*.THydrogen-bonded Turntrans-59-25.8177-71.5179169.600113.4R102 D104 R125R102-E123 HydrophobicContact CB-CB 4.49Å; R102-E123 HydrophobicContact CB-CG 3.62Å; R102-E123 WeakPolarHBondContact CB-OE1 3.43Å; R102-E123 PolarHBondContact O-N 3.13Å; D104-E123 HydrophobicContact CB-CG 4.34Å; E123-R125 PolarHBondContact O-N 3.04Å
124D91.6Very high93.5Very high115 Ų11556.9 Ų56.962%0.61524%0.242SC*.THydrogen-bonded Turntrans-84.68.9175.1-71.9-32.3000113.1D122 R126D122-D124 PolarHBondContact O-N 3.08Å; D122-D124 VanDerWaalsContact OD1-C 3.3Å; D122-D124 WeakPolarHBondContact OD1-CA 3.3Å; D122-D124 PolarHBondContact OD1-N 2.95Å; D122-D124 VanDerWaalsContact OD1-N 3.11Å; D124-R126 HydrophobicContact CB-CG 4.4Å; D124-R126 PolarHBondContact O-N 2.86Å
125R91Very high93.6Very high197 Ų19758 Ų5874%0.74325%0.251SS*.SBendtrans63.419.4-178.1-62.4-175.1173.6-174.4-1.1114.9Q121 D122 E123Q121-R125 VanDerWaalsContact NE2-C 3.33Å; Q121-R125 VanDerWaalsContact NE2-CB 3.34Å; Q121-R125 PolarHBondContact NE2-O 2.96Å; D122-R125 WeakPolarHBondContact O-CA 3.45Å; D122-R125 PolarHBondContact O-N 3.34Å; D122-R125 PolarHBondContact OD1-N 2.9Å; E123-R125 PolarHBondContact O-N 3.04Å
126R94.1Very high93.3Very high154 Ų15465 Ų6558%0.58128%0.284SS*.  trans-84.9141.4173-61.2172.8-178.9173.92.8110Q121 D122 D124 F128Q121-R126 VanDerWaalsContact CA-O 3.29Å; Q121-R126 WeakPolarHBondContact CA-O 3.25Å; D122-R126 PolarHBondContact N-O 3.31Å; D122-R126 WeakPolarHBondContact OD1-CA 3.33Å; D122-R126 WeakPolarHBondContact OD1-CB 3.04Å; D122-R126 PolarHBondContact OD1-N 3.44Å; D124-R126 HydrophobicContact CB-CG 4.4Å; D124-R126 PolarHBondContact O-N 2.86Å; R126-F128 HydrophobicContact CB-CD2 4.34Å; R126-F128 HydrophobicContact CB-CE2 3.53Å; R126-F128 HydrophobicContact CB-CZ 3.91Å
127R95.5Very high93.2Very high163 Ų16364 Ų6462%0.61528%0.28SS*.EExtended strand (participates in β ladder)trans-96.6132.5179.8-66.1-177.2178.7-175.3-1.2110.4F120 S184F120-R127 WeakPolarHBondContact O-CA 3.43Å; R127-S184 VanDerWaalsContact C-CB 3.48Å; R127-S184 VanDerWaalsContact O-CB 3.29Å; R127-S184 WeakPolarHBondContact O-CB 3.38Å; R127-S184 PolarHBondContact O-N 2.91Å
128F96.5Very high93.3Very high31 Ų3164.5 Ų64.514%0.13628%0.28CS..EExtended strand (participates in β ladder)trans-130.6162179.1-65.4-79.9000111.2Q119 F120 D122 R126 V164 V181 F182Q119-F128 WeakPolarHBondContact CA-O 3.39Å; F120-F128 HydrophobicContact CD1-CB 4.2Å; F120-F128 HydrophobicContact CD2-CB 4.49Å; F120-F128 HydrophobicContact CE1-CB 3.58Å; F120-F128 HydrophobicContact CE2-CB 3.92Å; F120-F128 AromaticContact CE2-CD2 3.98Å; F120-F128 HydrophobicContact CE2-CD2 3.98Å; F120-F128 HydrophobicContact CE2-CG 4.34Å; F120-F128 HydrophobicContact CZ-CB 3.44Å; F120-F128 VanDerWaalsContact CZ-CB 3.44Å; F120-F128 HydrophobicContact CZ-CD2 4.17Å; F120-F128 HydrophobicContact CZ-CG 4.08Å; F120-F128 PolarHBondContact N-O 3.49Å; F120-F128 PolarHBondContact O-N 3.24Å; D122-F128 HydrophobicContact CB-CD2 4.36Å; D122-F128 HydrophobicContact CB-CE2 4.16Å; D122-F128 WeakPolarHBondContact OD2-CE2 3.47Å; R126-F128 HydrophobicContact CB-CD2 4.34Å; R126-F128 HydrophobicContact CB-CE2 3.53Å; R126-F128 HydrophobicContact CB-CZ 3.91Å; F128-V164 HydrophobicContact CE1-CG2 4.3Å; F128-V181 HydrophobicContact CB-CG1 3.93Å; F128-V181 HydrophobicContact CD1-CG1 3.9Å; F128-V181 HydrophobicContact CG-CG1 4.1Å; F128-F182 CarbonylContact C-O 3.55Å; F128-F182 WeakPolarHBondContact CA-O 3.41Å; F128-F182 WeakPolarHBondContact CD1-O 3.44Å
129V96.2Very high93.4Very high22 Ų2266.5 Ų66.513%0.13330%0.295CS..EExtended strand (participates in β ladder)trans-118.2128.1166.5173.10000107.7L110 V117 Y118 Q119 V181 F182L110-V129 HydrophobicContact CD1-CG1 4.29Å; L110-V129 HydrophobicContact CD1-CG2 4.04Å; V117-V129 HydrophobicContact CG1-CG1 3.23Å; Y118-V129 CarbonylContact O-C 3.6Å; Y118-V129 VanDerWaalsContact O-CA 3.3Å; Y118-V129 WeakPolarHBondContact O-CA 3.35Å; Q119-V129 HydrophobicContact CB-CG2 4.44Å; Q119-V129 HydrophobicContact CG-CG2 4.39Å; V129-V181 CarbonylContact O-C 3.47Å; V129-V181 WeakPolarHBondContact O-CA 3.45Å; V129-F182 PolarHBondContact N-O 3.37Å; V129-F182 PolarHBondContact O-N 2.73Å
130V96.5Very high93.5Very high0 Ų064.8 Ų64.80%029%0.292CS..EExtended strand (participates in β ladder)trans-102.1131.9167.161.40000109.3I92 L96 V117 Y118 F120 F132 F179 A180 V181I92-V130 HydrophobicContact CG2-CG1 3.98Å; L96-V130 HydrophobicContact CD1-CG1 4.38Å; L96-V130 HydrophobicContact CD2-CB 4.22Å; L96-V130 HydrophobicContact CD2-CG2 4.03Å; V117-V130 CarbonylContact C-O 3.6Å; V117-V130 WeakPolarHBondContact CA-O 3.4Å; Y118-V130 HydrophobicContact CD2-CG1 4.43Å; Y118-V130 PolarHBondContact N-O 3.38Å; Y118-V130 PolarHBondContact O-N 3.15Å; F120-V130 HydrophobicContact CD1-CG1 4.18Å; F120-V130 HydrophobicContact CE1-CB 3.96Å; F120-V130 HydrophobicContact CE1-CG1 4.1Å; V130-F132 HydrophobicContact CB-CE2 4.45Å; V130-F132 HydrophobicContact CG1-CE2 4.17Å; V130-F132 HydrophobicContact CG2-CD2 3.93Å; V130-F132 HydrophobicContact CG2-CE2 3.45Å; V130-F132 VanDerWaalsContact CG2-CE2 3.45Å; V130-F132 HydrophobicContact CG2-CZ 4.24Å; V130-F179 HydrophobicContact CG2-CD2 3.79Å; V130-A180 WeakPolarHBondContact CA-O 3.49Å; V130-V181 HydrophobicContact CB-CG2 4.4Å; V130-V181 HydrophobicContact CG2-CG2 4.18Å
131K96.2Very high93.7Very high17 Ų1768.6 Ų68.67%0.07431%0.312CS..EExtended strand (participates in β ladder)trans-119.7114.1-179.6176.7-178.5-173.1177.40108.8N115 V117 Y133 E146 F179 A180 F182 D295N115-K131 HydrophobicContact CB-CG 4.1Å; N115-K131 WeakPolarHBondContact ND2-CE 3.48Å; V117-K131 HydrophobicContact CG2-CB 4.37Å; V117-K131 HydrophobicContact CG2-CG 4.11Å; K131-Y133 HydrophobicContact CD-CE1 4.09Å; K131-E146 IonicContact NZ-OE1 3.46Å; K131-E146 PolarHBondContact NZ-OE1 3.46Å; K131-F179 CarbonylContact O-C 3.4Å; K131-F179 WeakPolarHBondContact O-CA 3.4Å; K131-F179 WeakPolarHBondContact O-CB 3.41Å; K131-A180 PolarHBondContact N-O 3.01Å; K131-A180 PolarHBondContact O-N 2.75Å; K131-F182 HydrophobicContact CB-CD2 4.35Å; K131-F182 HydrophobicContact CB-CE2 3.91Å; K131-F182 HydrophobicContact CD-CE2 4.01Å; K131-F182 HydrophobicContact CD-CZ 4.38Å; K131-D295 WeakPolarHBondContact CE-OD1 3.42Å; K131-D295 WeakPolarHBondContact CE-OD2 3.35Å; K131-D295 IonicContact NZ-OD1 2.92Å; K131-D295 PolarHBondContact NZ-OD1 2.88Å; K131-D295 IonicContact NZ-OD2 3.96Å; K131-D295 PolarHBondContact NZ-OD2 3.17Å
132F95.1Very high93.9Very high4 Ų467.9 Ų67.92%0.01831%0.309CS..EExtended strand (participates in β ladder)trans-91.9117.5170.3-73.6-101.3000108.7L87 I92 A95 N115 R116 V130 F177 F179L87-F132 HydrophobicContact CD1-CD1 4.04Å; L87-F132 HydrophobicContact CD1-CE1 4.11Å; L87-F132 HydrophobicContact CD1-CG 4.49Å; L87-F132 HydrophobicContact CD2-CB 3.83Å; L87-F132 HydrophobicContact CD2-CD1 3.87Å; L87-F132 HydrophobicContact CD2-CD2 3.6Å; L87-F132 HydrophobicContact CD2-CE1 4.36Å; L87-F132 HydrophobicContact CD2-CE2 4.11Å; L87-F132 HydrophobicContact CD2-CG 3.47Å; L87-F132 VanDerWaalsContact CD2-CG 3.47Å; L87-F132 HydrophobicContact CD2-CZ 4.46Å; I92-F132 HydrophobicContact CB-CE2 4.18Å; I92-F132 HydrophobicContact CB-CZ 4.28Å; I92-F132 HydrophobicContact CG1-CE2 3.88Å; I92-F132 HydrophobicContact CG1-CZ 4.13Å; I92-F132 HydrophobicContact CG2-CE2 3.67Å; I92-F132 HydrophobicContact CG2-CZ 4.07Å; A95-F132 HydrophobicContact CB-CE1 4.27Å; A95-F132 HydrophobicContact CB-CZ 3.98Å; N115-F132 WeakPolarHBondContact CB-O 3.46Å; R116-F132 HydrophobicContact CB-CB 4.25Å; R116-F132 PolarHBondContact N-O 3.44Å; R116-F132 PolarHBondContact O-N 3.39Å; V130-F132 HydrophobicContact CB-CE2 4.45Å; V130-F132 HydrophobicContact CG1-CE2 4.17Å; V130-F132 HydrophobicContact CG2-CD2 3.93Å; V130-F132 HydrophobicContact CG2-CE2 3.45Å; V130-F132 VanDerWaalsContact CG2-CE2 3.45Å; V130-F132 HydrophobicContact CG2-CZ 4.24Å; F132-F177 HydrophobicContact CD1-CB 3.91Å; F132-F177 HydrophobicContact CE1-CB 4.4Å; F132-F179 HydrophobicContact CB-CB 4.47Å; F132-F179 HydrophobicContact CD1-CB 3.61Å; F132-F179 HydrophobicContact CD1-CG 4.28Å; F132-F179 HydrophobicContact CD2-CB 4.17Å; F132-F179 HydrophobicContact CE1-CB 3.74Å; F132-F179 AromaticContact CE1-CD1 3.99Å; F132-F179 HydrophobicContact CE1-CD1 3.99Å; F132-F179 AromaticContact CE1-CG 3.89Å; F132-F179 HydrophobicContact CE1-CG 3.89Å; F132-F179 HydrophobicContact CE2-CB 4.27Å; F132-F179 HydrophobicContact CG-CB 3.83Å; F132-F179 HydrophobicContact CZ-CB 4.06Å; F132-F179 HydrophobicContact CZ-CD1 4.41Å; F132-F179 HydrophobicContact CZ-CD2 4.34Å; F132-F179 HydrophobicContact CZ-CG 4.03Å
133Y94.8Very high94.2Very high6 Ų667.1 Ų67.12%0.02430%0.304CS..PPolyproline II helixtrans-70.6135.5-179.9-67.9-86.3000109.9N115 K131 P135 I143 H147 L171 Y178 A180N115-Y133 WeakPolarHBondContact OD1-CA 3.32Å; K131-Y133 HydrophobicContact CD-CE1 4.09Å; Y133-P135 WeakPolarHBondContact O-CD 3.42Å; Y133-I143 HydrophobicContact CD1-CD1 3.89Å; Y133-I143 HydrophobicContact CD1-CG1 3.91Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 HydrophobicContact CD2-CD1 4.11Å; Y133-I143 HydrophobicContact CD2-CG2 4.04Å; Y133-I143 HydrophobicContact CE1-CG1 4.19Å; Y133-I143 HydrophobicContact CE1-CG2 3.75Å; Y133-I143 HydrophobicContact CE2-CG2 3.63Å; Y133-I143 HydrophobicContact CG-CD1 3.64Å; Y133-I143 HydrophobicContact CG-CG1 4.17Å; Y133-I143 HydrophobicContact CG-CG2 4.3Å; Y133-I143 VanDerWaalsContact CZ-CG2 3.48Å; Y133-H147 AromaticContact CE2-NE2 3.93Å; Y133-H147 AromaticContact CZ-NE2 3.67Å; Y133-H147 PolarHBondContact OH-NE2 2.7Å; Y133-L171 HydrophobicContact CD2-CD1 4.13Å; Y133-L171 HydrophobicContact CE2-CD1 4.1Å; Y133-Y178 PolarHBondContact N-O 3.31Å; Y133-A180 HydrophobicContact CE2-CB 3.9Å
134R90.8Very high94.5Very high81 Ų8163.8 Ų63.831%0.30629%0.291SS..PPolyproline II helixtrans-61.7127.8175.7-173-173.5162.9-169.8-2.9110E114 N115 R137 R360E114-R134 WeakPolarHBondContact OE1-CD 3.29Å; E114-R134 IonicContact OE1-CZ 3.06Å; E114-R134 IonicContact OE1-NE 3.88Å; E114-R134 IonicContact OE1-NH1 2.97Å; E114-R134 PolarHBondContact OE1-NH1 2.88Å; E114-R134 IonicContact OE2-NH1 3.02Å; N115-R134 PolarHBondContact OD1-N 3.33Å; R134-R137 HydrophobicContact CB-CB 4.27Å; R134-R137 PolarHBondContact O-N 3.2Å; R134-R360 VanDerWaalsContact CZ-NH1 3.27Å
135P89.1Confident94.8Very high45 Ų4559.1 Ų59.129%0.29227%0.265SS..THydrogen-bonded Turntrans-53.9142.9171.5-25.434.6000111.6L81 Y133 R137 F177L81-P135 HydrophobicContact CD1-CB 4.16Å; L81-P135 HydrophobicContact CD1-CG 4.47Å; L81-P135 HydrophobicContact CD2-CG 4.29Å; Y133-P135 WeakPolarHBondContact O-CD 3.42Å; P135-R137 PolarHBondContact O-N 3.35Å; P135-F177 HydrophobicContact CG-CD1 4.14Å; P135-F177 HydrophobicContact CG-CE1 4.13Å
136E85.4Confident95.2Very high147 Ų14750 Ų5069%0.68723%0.231SC*.THydrogen-bonded Turntrans66.6-1.7174.6-52.4170.3-178.300115.9T78T78-E136 PolarHBondContact OG1-OE1 3.33Å
137R89.8Confident95.4Very high55 Ų5542.7 Ų42.721%0.20820%0.203CC..THydrogen-bonded Turntrans-74.2-57.4169.3-179.7-174-179.7-168.45.4110.8E114 R134 P135 D295 D296E114-R137 VanDerWaalsContact CG-CZ 3.43Å; R134-R137 HydrophobicContact CB-CB 4.27Å; R134-R137 PolarHBondContact O-N 3.2Å; P135-R137 PolarHBondContact O-N 3.35Å; R137-D295 IonicContact NH1-OD1 3.41Å; R137-D295 IonicContact NH1-OD2 2.67Å; R137-D296 IonicContact CZ-OD1 3.45Å; R137-D296 IonicContact NH2-OD1 3.41Å; R137-D296 PolarHBondContact NH2-OD1 2.89Å; R137-D296 IonicContact NH2-OD2 3.59Å; R137-D296 PolarHBondContact NH2-OD2 2.95Å
138W95Very high95.5Very high31 Ų3139.8 Ų39.812%0.11720%0.197CC..SBendtrans-125.4139.6-178.8-64.9129.7000110.4Q142 I143 R220 P221 D295W138-Q142 HydrophobicContact CB-CB 4.14Å; W138-Q142 HydrophobicContact CE3-CB 4.11Å; W138-Q142 VanDerWaalsContact CE3-CD 3.44Å; W138-Q142 HydrophobicContact CE3-CG 4.22Å; W138-I143 HydrophobicContact CB-CD1 4.26Å; W138-I143 HydrophobicContact CB-CG1 3.77Å; W138-R220 VanDerWaalsContact CZ2-NH1 3.28Å; W138-P221 HydrophobicContact CH2-CG 3.82Å; W138-P221 HydrophobicContact CZ3-CG 4.04Å; W138-D295 PolarHBondContact NE1-O 3.06Å
139T96.6Very high95.6Very high74 Ų7438.3 Ų38.345%0.45419%0.19SC..  trans-69.2162.1169.461.60000110.6D141 Q142 I143T139-D141 PolarHBondContact O-N 3.31Å; T139-Q142 PolarHBondContact O-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-CG 3.29Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.35Å; T139-Q142 PolarHBondContact OG1-N 2.86Å; T139-Q142 PolarHBondContact OG1-OE1 3.05Å; T139-I143 WeakPolarHBondContact O-CG1 3.37Å; T139-I143 PolarHBondContact O-N 2.84Å
140A97.4Very high95.7Very high24 Ų2437.4 Ų37.420%0.19819%0.185CC..Hα-helixtrans-57.2-39.5176.200000112.1I143 L144 L171 Y178A140-I143 PolarHBondContact O-N 3.48Å; A140-L144 WeakPolarHBondContact O-CB 3.47Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 3.33Å; A140-L171 HydrophobicContact CB-CD2 3.95Å; A140-Y178 HydrophobicContact CB-CE1 4.29Å; A140-Y178 HydrophobicContact CB-CE2 4.27Å
141D98.3Very high95.8Very high84 Ų8440.4 Ų40.445%0.44920%0.201SC..Hα-helixtrans-65-40.6178.8-61.4-40.5000111.9T139 I143 L144 E145 H219T139-D141 PolarHBondContact O-N 3.31Å; D141-I143 PolarHBondContact O-N 3.29Å; D141-L144 PolarHBondContact O-N 2.89Å; D141-E145 WeakPolarHBondContact O-CG 3.46Å; D141-E145 PolarHBondContact O-N 2.78Å; D141-H219 HydrophobicContact CB-CB 4.29Å
142Q98.4Very high95.9Very high30 Ų3042.3 Ų42.314%0.1421%0.21CC..Hα-helixtrans-65-37.9175.2-74.3167.6-44.800112.5W138 T139 E146 H219 R220W138-Q142 HydrophobicContact CB-CB 4.14Å; W138-Q142 HydrophobicContact CE3-CB 4.11Å; W138-Q142 VanDerWaalsContact CE3-CD 3.44Å; W138-Q142 HydrophobicContact CE3-CG 4.22Å; T139-Q142 PolarHBondContact O-N 2.94Å; T139-Q142 VanDerWaalsContact OG1-CG 3.29Å; T139-Q142 WeakPolarHBondContact OG1-CG 3.35Å; T139-Q142 PolarHBondContact OG1-N 2.86Å; T139-Q142 PolarHBondContact OG1-OE1 3.05Å; Q142-E146 PolarHBondContact O-N 3.37Å; Q142-H219 HydrophobicContact CG-CB 3.67Å; Q142-H219 WeakPolarHBondContact CG-O 3.43Å; Q142-H219 PolarHBondContact NE2-O 3.48Å; Q142-R220 HydrophobicContact CB-CG 4.48Å; Q142-R220 PolarHBondContact O-NE 2.88Å; Q142-R220 PolarHBondContact O-NH2 2.83Å; Q142-R220 VanDerWaalsContact O-NH2 3.16Å
143I98.4Very high96.1Very high1 Ų142.1 Ų42.11%0.00521%0.209CC..Hα-helixtrans-69.2-42.3175.8-63.2163.7000110.3Y133 W138 T139 A140 D141 E145 E146 H147 L171Y133-I143 HydrophobicContact CD1-CD1 3.89Å; Y133-I143 HydrophobicContact CD1-CG1 3.91Å; Y133-I143 HydrophobicContact CD1-CG2 4.16Å; Y133-I143 HydrophobicContact CD2-CD1 4.11Å; Y133-I143 HydrophobicContact CD2-CG2 4.04Å; Y133-I143 HydrophobicContact CE1-CG1 4.19Å; Y133-I143 HydrophobicContact CE1-CG2 3.75Å; Y133-I143 HydrophobicContact CE2-CG2 3.63Å; Y133-I143 HydrophobicContact CG-CD1 3.64Å; Y133-I143 HydrophobicContact CG-CG1 4.17Å; Y133-I143 HydrophobicContact CG-CG2 4.3Å; Y133-I143 VanDerWaalsContact CZ-CG2 3.48Å; W138-I143 HydrophobicContact CB-CD1 4.26Å; W138-I143 HydrophobicContact CB-CG1 3.77Å; T139-I143 WeakPolarHBondContact O-CG1 3.37Å; T139-I143 PolarHBondContact O-N 2.84Å; A140-I143 PolarHBondContact O-N 3.48Å; D141-I143 PolarHBondContact O-N 3.29Å; I143-E145 VanDerWaalsContact C-N 3.28Å; I143-E145 PolarHBondContact O-N 2.79Å; I143-E146 WeakPolarHBondContact O-CB 3.3Å; I143-E146 PolarHBondContact O-N 3.26Å; I143-H147 WeakPolarHBondContact CG2-NE2 3.16Å; I143-H147 PolarHBondContact O-CD2 3.16Å; I143-H147 PolarHBondContact O-N 3.41Å; I143-L171 HydrophobicContact CB-CD1 4.33Å; I143-L171 HydrophobicContact CB-CD2 4.11Å; I143-L171 HydrophobicContact CD1-CD1 4.49Å; I143-L171 HydrophobicContact CG2-CD1 3.53Å; I143-L171 HydrophobicContact CG2-CD2 4.09Å; I143-L171 HydrophobicContact CG2-CG 4.34Å
144L98.4Very high96.2Very high59 Ų5945 Ų4531%0.30923%0.227SC..Hα-helixtrans-63-34.5176.9-76.1169.8000112.5A140 D141 H147 Q148 L171A140-L144 WeakPolarHBondContact O-CB 3.47Å; A140-L144 WeakPolarHBondContact O-CG 3.5Å; A140-L144 PolarHBondContact O-N 3.33Å; D141-L144 PolarHBondContact O-N 2.89Å; L144-H147 WeakPolarHBondContact O-CB 3.38Å; L144-H147 PolarHBondContact O-N 3.44Å; L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 VanDerWaalsContact O-CG 3.24Å; L144-Q148 WeakPolarHBondContact O-CG 3.44Å; L144-Q148 PolarHBondContact O-N 3.01Å; L144-L171 HydrophobicContact CD1-CD2 4.49Å; L144-L171 HydrophobicContact CD2-CB 3.68Å; L144-L171 HydrophobicContact CD2-CD2 4.33Å; L144-L171 HydrophobicContact CG-CB 4.22Å; L144-L171 HydrophobicContact CG-CD2 3.93Å
145E98.3Very high96.6Very high16 Ų1647.3 Ų47.38%0.07525%0.246CC..Hα-helixtrans-62.5-43.3172.7-82.3-170.4154.700112.9D141 I143 H147 Q148 F149 F217 I218 H219 R220D141-E145 WeakPolarHBondContact O-CG 3.46Å; D141-E145 PolarHBondContact O-N 2.78Å; I143-E145 VanDerWaalsContact C-N 3.28Å; I143-E145 PolarHBondContact O-N 2.79Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 2.87Å; E145-Q148 PolarHBondContact O-N 2.97Å; E145-F149 WeakPolarHBondContact O-CB 3.39Å; E145-F149 PolarHBondContact O-N 2.99Å; E145-F217 HydrophobicContact CB-CD1 3.73Å; E145-F217 HydrophobicContact CB-CE1 4.01Å; E145-F217 HydrophobicContact CG-CD1 4.22Å; E145-I218 WeakPolarHBondContact OE1-CA 3.38Å; E145-I218 WeakPolarHBondContact OE1-CB 3.4Å; E145-I218 PolarHBondContact OE1-N 3.49Å; E145-H219 VanDerWaalsContact CD-N 3.32Å; E145-H219 IonicContact OE1-CD2 2.92Å; E145-H219 PolarHBondContact OE1-CD2 3.43Å; E145-H219 PolarHBondContact OE1-N 3.3Å; E145-H219 WeakPolarHBondContact OE2-CA 3.31Å; E145-H219 WeakPolarHBondContact OE2-CB 2.99Å; E145-H219 PolarHBondContact OE2-N 3Å; E145-R220 HydrophobicContact CB-CG 4.35Å; E145-R220 PolarHBondContact OE2-N 3.09Å
146E98.1Very high97Very high6 Ų647.2 Ų47.23%0.02824%0.243CC..Hα-helixtrans-58.1-47.4172.4171.8-168.6149.200110.4K131 Q142 I143 Q148 F149 A150 R220 L294K131-E146 IonicContact NZ-OE1 3.46Å; K131-E146 PolarHBondContact NZ-OE1 3.46Å; Q142-E146 PolarHBondContact O-N 3.37Å; I143-E146 WeakPolarHBondContact O-CB 3.3Å; I143-E146 PolarHBondContact O-N 3.26Å; E146-Q148 PolarHBondContact O-N 2.9Å; E146-F149 PolarHBondContact O-N 2.84Å; E146-A150 PolarHBondContact O-N 3.45Å; E146-R220 IonicContact OE2-CZ 3.9Å; E146-R220 IonicContact OE2-NH2 2.9Å; E146-R220 PolarHBondContact OE2-NH2 3.31Å; E146-L294 HydrophobicContact CG-CB 3.96Å
147H98.5Very high97.6Very high1 Ų146.6 Ų46.61%0.00524%0.24CC..Hα-helixtrans-60.3-45.9179-68.7-165.6000112.2Y133 I143 L144 E145 F149 A150 L151 P163 T170Y133-H147 AromaticContact CE2-NE2 3.93Å; Y133-H147 AromaticContact CZ-NE2 3.67Å; Y133-H147 PolarHBondContact OH-NE2 2.7Å; I143-H147 WeakPolarHBondContact CG2-NE2 3.16Å; I143-H147 PolarHBondContact O-CD2 3.16Å; I143-H147 PolarHBondContact O-N 3.41Å; L144-H147 WeakPolarHBondContact O-CB 3.38Å; L144-H147 PolarHBondContact O-N 3.44Å; E145-H147 VanDerWaalsContact C-N 3.34Å; E145-H147 PolarHBondContact O-N 2.87Å; H147-F149 VanDerWaalsContact C-N 3.31Å; H147-F149 PolarHBondContact O-N 3.26Å; H147-A150 PolarHBondContact O-N 2.68Å; H147-L151 VanDerWaalsContact O-CG 3.31Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.37Å; H147-P163 HydrophobicContact CB-CG 3.75Å; H147-T170 PolarHBondContact CE1-O 2.79Å; H147-T170 VanDerWaalsContact CE1-O 3.29Å; H147-T170 VanDerWaalsContact ND1-CB 3.3Å; H147-T170 WeakPolarHBondContact ND1-CB 3.35Å; H147-T170 PolarHBondContact ND1-OG1 3.17Å
148Q98.1Very high97.9Very high101 Ų10144.1 Ų44.147%0.47223%0.231SC..Hα-helixtrans-62.3-40.8177.9-74171.87.400111.3L144 E145 E146 L151 Q152L144-Q148 WeakPolarHBondContact O-CB 3.4Å; L144-Q148 VanDerWaalsContact O-CG 3.24Å; L144-Q148 WeakPolarHBondContact O-CG 3.44Å; L144-Q148 PolarHBondContact O-N 3.01Å; E145-Q148 PolarHBondContact O-N 2.97Å; E146-Q148 PolarHBondContact O-N 2.9Å; Q148-L151 PolarHBondContact O-N 3.04Å; Q148-Q152 WeakPolarHBondContact O-CB 3.21Å; Q148-Q152 VanDerWaalsContact O-CG 3.23Å; Q148-Q152 WeakPolarHBondContact O-CG 3.25Å; Q148-Q152 PolarHBondContact O-N 3.02Å
149F98.6Very high98Very high0 Ų044 Ų440%023%0.234CC..Hα-helixtrans-65.1-47.6176.5-175-142000111.6E145 E146 H147 L151 Q152 L153 M208 T211 F217 R273E145-F149 WeakPolarHBondContact O-CB 3.39Å; E145-F149 PolarHBondContact O-N 2.99Å; E146-F149 PolarHBondContact O-N 2.84Å; H147-F149 VanDerWaalsContact C-N 3.31Å; H147-F149 PolarHBondContact O-N 3.26Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 2.71Å; F149-Q152 PolarHBondContact O-N 3.05Å; F149-Q152 VanDerWaalsContact O-N 3.13Å; F149-L153 HydrophobicContact CD1-CD1 4.08Å; F149-L153 HydrophobicContact CD2-CD1 4.14Å; F149-L153 HydrophobicContact CD2-CD2 4.34Å; F149-L153 HydrophobicContact CD2-CG 3.91Å; F149-L153 HydrophobicContact CE1-CD1 3.87Å; F149-L153 HydrophobicContact CE2-CD1 3.91Å; F149-L153 HydrophobicContact CE2-CD2 3.69Å; F149-L153 HydrophobicContact CE2-CG 3.72Å; F149-L153 HydrophobicContact CG-CD1 4.23Å; F149-L153 HydrophobicContact CG-CG 4.43Å; F149-L153 HydrophobicContact CZ-CD1 3.79Å; F149-L153 HydrophobicContact CZ-CD2 4.01Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CB 3.48Å; F149-L153 VanDerWaalsContact O-CG 3.29Å; F149-L153 WeakPolarHBondContact O-CG 3.37Å; F149-L153 PolarHBondContact O-N 2.97Å; F149-M208 HydrophobicContact CZ-CG 4.2Å; F149-T211 HydrophobicContact CE2-CG2 4.21Å; F149-F217 HydrophobicContact CB-CE1 3.88Å; F149-F217 HydrophobicContact CB-CZ 3.91Å; F149-F217 HydrophobicContact CD1-CE1 4.46Å; F149-F217 HydrophobicContact CD1-CE2 4.46Å; F149-F217 AromaticContact CD1-CZ 3.64Å; F149-F217 HydrophobicContact CD1-CZ 3.64Å; F149-F217 HydrophobicContact CE1-CZ 4.34Å; F149-F217 HydrophobicContact CG-CE1 4.33Å; F149-F217 AromaticContact CG-CZ 3.92Å; F149-F217 HydrophobicContact CG-CZ 3.92Å; F149-R273 VanDerWaalsContact CD2-CZ 3.5Å; F149-R273 HydrophobicContact CE1-CB 4.22Å; F149-R273 HydrophobicContact CE2-CB 4.2Å; F149-R273 HydrophobicContact CZ-CB 3.97Å
150A98.4Very high98Very high3 Ų341.1 Ų41.13%0.02522%0.216CC..Hα-helixtrans-57.3-42.3176.900000112.3E146 H147 L153 V154 A162 L294E146-A150 PolarHBondContact O-N 3.45Å; H147-A150 PolarHBondContact O-N 2.68Å; A150-L153 PolarHBondContact O-N 3.22Å; A150-V154 WeakPolarHBondContact O-CG2 3.5Å; A150-V154 PolarHBondContact O-N 3.35Å; A150-A162 HydrophobicContact CB-CB 4.2Å; A150-L294 HydrophobicContact CB-CD1 3.86Å
151L98.3Very high97.9Very high64 Ų6441 Ų4134%0.33522%0.216SC..Hα-helixtrans-65.5-41.8175.9-72.1166.7000112.5H147 Q148 F149 L153 V154 N155 A162 T170H147-L151 VanDerWaalsContact O-CG 3.31Å; H147-L151 WeakPolarHBondContact O-CG 3.44Å; H147-L151 PolarHBondContact O-N 3.37Å; Q148-L151 PolarHBondContact O-N 3.04Å; F149-L151 VanDerWaalsContact C-N 3.3Å; F149-L151 PolarHBondContact O-N 2.71Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L151-V154 PolarHBondContact O-N 2.85Å; L151-N155 VanDerWaalsContact O-CG 3.22Å; L151-N155 PolarHBondContact O-N 3.39Å; L151-N155 PolarHBondContact O-ND2 3.14Å; L151-A162 HydrophobicContact CD2-CB 3.88Å; L151-A162 HydrophobicContact CG-CB 4.3Å; L151-T170 HydrophobicContact CD1-CG2 4.25Å
152Q98.5Very high97.8Very high57 Ų5737.7 Ų37.727%0.26620%0.2SC..Hα-helixtrans-63.1-40.9175.4-73.9170.2-8.200111.5Q148 F149 N155 D156 T211 R273Q148-Q152 WeakPolarHBondContact O-CB 3.21Å; Q148-Q152 VanDerWaalsContact O-CG 3.23Å; Q148-Q152 WeakPolarHBondContact O-CG 3.25Å; Q148-Q152 PolarHBondContact O-N 3.02Å; F149-Q152 PolarHBondContact O-N 3.05Å; F149-Q152 VanDerWaalsContact O-N 3.13Å; Q152-N155 PolarHBondContact O-N 3.41Å; Q152-D156 WeakPolarHBondContact O-CB 3.44Å; Q152-D156 PolarHBondContact O-N 3.19Å; Q152-T211 HydrophobicContact CB-CG2 3.96Å; Q152-R273 VanDerWaalsContact OE1-CZ 3.25Å
153L98.6Very high97.8Very high0 Ų036.5 Ų36.50%020%0.195CC..Hα-helixtrans-61.2-48176.4-73.1177.7000111.7F149 A150 L151 N155 D156 E157 V158 V160 M208 T211 L294F149-L153 HydrophobicContact CD1-CD1 4.08Å; F149-L153 HydrophobicContact CD2-CD1 4.14Å; F149-L153 HydrophobicContact CD2-CD2 4.34Å; F149-L153 HydrophobicContact CD2-CG 3.91Å; F149-L153 HydrophobicContact CE1-CD1 3.87Å; F149-L153 HydrophobicContact CE2-CD1 3.91Å; F149-L153 HydrophobicContact CE2-CD2 3.69Å; F149-L153 HydrophobicContact CE2-CG 3.72Å; F149-L153 HydrophobicContact CG-CD1 4.23Å; F149-L153 HydrophobicContact CG-CG 4.43Å; F149-L153 HydrophobicContact CZ-CD1 3.79Å; F149-L153 HydrophobicContact CZ-CD2 4.01Å; F149-L153 HydrophobicContact CZ-CG 4.09Å; F149-L153 WeakPolarHBondContact O-CB 3.48Å; F149-L153 VanDerWaalsContact O-CG 3.29Å; F149-L153 WeakPolarHBondContact O-CG 3.37Å; F149-L153 PolarHBondContact O-N 2.97Å; A150-L153 PolarHBondContact O-N 3.22Å; L151-L153 VanDerWaalsContact C-N 3.33Å; L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.04Å; L153-D156 CarbonylContact O-C 3.47Å; L153-D156 PolarHBondContact O-N 3.16Å; L153-D156 VanDerWaalsContact O-N 3.16Å; L153-E157 PolarHBondContact O-N 3.3Å; L153-V158 HydrophobicContact CB-CB 4Å; L153-V158 HydrophobicContact CB-CG1 4.41Å; L153-V158 HydrophobicContact CD2-CB 4.08Å; L153-V158 HydrophobicContact CD2-CG1 4.19Å; L153-V158 HydrophobicContact CD2-CG2 3.99Å; L153-V158 WeakPolarHBondContact O-CB 3.35Å; L153-V158 PolarHBondContact O-N 3.28Å; L153-V160 HydrophobicContact CB-CG2 3.7Å; L153-V160 HydrophobicContact CD1-CG1 4.07Å; L153-V160 HydrophobicContact CD1-CG2 4.32Å; L153-M208 HydrophobicContact CD1-CE 4.41Å; L153-M208 HydrophobicContact CD1-CG 4.11Å; L153-M208 HydrophobicContact CD2-CB 4.14Å; L153-M208 HydrophobicContact CD2-CG 3.65Å; L153-T211 HydrophobicContact CD2-CG2 3.94Å; L153-L294 HydrophobicContact CD1-CD1 4.25Å
154V98.1Very high97.7Very high65 Ų6538.5 Ų38.539%0.39421%0.207SC..Hα-helixtrans-59.4-42.4175172.50000111.5A150 L151 D156 E157 V160 A162A150-V154 WeakPolarHBondContact O-CG2 3.5Å; A150-V154 PolarHBondContact O-N 3.35Å; L151-V154 PolarHBondContact O-N 2.85Å; V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 3.26Å; V154-E157 WeakPolarHBondContact O-CA 3.48Å; V154-E157 PolarHBondContact O-N 3.3Å; V154-V160 HydrophobicContact CG2-CG2 3.66Å; V154-V160 WeakPolarHBondContact CG2-O 3.42Å; V154-A162 HydrophobicContact CB-CB 4.5Å; V154-A162 HydrophobicContact CG2-CB 3.67Å
155N98.1Very high97.6Very high131 Ų13138.5 Ų38.570%0.70122%0.215SC*.Hα-helixtrans-65.1-32.1178.3-71.7-23.4000112.9L151 Q152 L153 E157L151-N155 VanDerWaalsContact O-CG 3.22Å; L151-N155 PolarHBondContact O-N 3.39Å; L151-N155 PolarHBondContact O-ND2 3.14Å; Q152-N155 PolarHBondContact O-N 3.41Å; L153-N155 VanDerWaalsContact C-N 3.3Å; L153-N155 PolarHBondContact O-N 3.04Å; N155-E157 PolarHBondContact O-N 2.77Å
156D97.8Very high97.4Very high43 Ų4339.5 Ų39.523%0.2322%0.219CC..THydrogen-bonded Turntrans-87.416.3173.8-67.4-35.6000112.1Q152 L153 V154 V158 R207 T211 K214Q152-D156 WeakPolarHBondContact O-CB 3.44Å; Q152-D156 PolarHBondContact O-N 3.19Å; L153-D156 CarbonylContact O-C 3.47Å; L153-D156 PolarHBondContact O-N 3.16Å; L153-D156 VanDerWaalsContact O-N 3.16Å; V154-D156 VanDerWaalsContact C-N 3.28Å; V154-D156 PolarHBondContact O-N 3.26Å; D156-V158 VanDerWaalsContact C-N 3.3Å; D156-V158 PolarHBondContact O-N 3.41Å; D156-R207 WeakPolarHBondContact O-CD 3.46Å; D156-R207 PolarHBondContact O-NH1 2.95Å; D156-T211 WeakPolarHBondContact CB-OG1 3.3Å; D156-T211 WeakPolarHBondContact OD2-CB 3.26Å; D156-T211 WeakPolarHBondContact OD2-CG2 3.29Å; D156-T211 PolarHBondContact OD2-OG1 3.19Å; D156-K214 IonicContact OD1-NZ 3.81Å; D156-K214 PolarHBondContact OD1-NZ 2.93Å; D156-K214 IonicContact OD2-NZ 3.42Å; D156-K214 PolarHBondContact OD2-NZ 2.87Å
157E97Very high97.1Very high134 Ų13447 Ų4763%0.62626%0.26SS*.THydrogen-bonded Turntrans57.732.7179.1-27.7170126.800114.8L153 V154 N155 R207L153-E157 PolarHBondContact O-N 3.3Å; V154-E157 WeakPolarHBondContact O-CA 3.48Å; V154-E157 PolarHBondContact O-N 3.3Å; N155-E157 PolarHBondContact O-N 2.77Å; E157-R207 VanDerWaalsContact CB-NH1 3.32Å; E157-R207 IonicContact OE2-CZ 2.71Å; E157-R207 IonicContact OE2-NH1 3.65Å; E157-R207 PolarHBondContact OE2-NH1 2.89Å; E157-R207 IonicContact OE2-NH2 2.81Å; E157-R207 PolarHBondContact OE2-NH2 3.31Å
158V97.9Very high96.9Very high3 Ų350.5 Ų50.52%0.01830%0.296CS..  trans-87.2128.6167.7-179.50000109L153 D156 V160 R207 M208L153-V158 HydrophobicContact CB-CB 4Å; L153-V158 HydrophobicContact CB-CG1 4.41Å; L153-V158 HydrophobicContact CD2-CB 4.08Å; L153-V158 HydrophobicContact CD2-CG1 4.19Å; L153-V158 HydrophobicContact CD2-CG2 3.99Å; L153-V158 WeakPolarHBondContact O-CB 3.35Å; L153-V158 PolarHBondContact O-N 3.28Å; D156-V158 VanDerWaalsContact C-N 3.3Å; D156-V158 PolarHBondContact O-N 3.41Å; V158-V160 HydrophobicContact CG1-CG1 4.38Å; V158-V160 PolarHBondContact O-N 2.98Å; V158-R207 HydrophobicContact CG2-CB 3.98Å; V158-R207 HydrophobicContact CG2-CG 3.61Å; V158-M208 HydrophobicContact CG1-CB 4.09Å; V158-M208 HydrophobicContact CG1-CE 3.99Å
159P96.8Very high96.8Very high28 Ų2851.5 Ų51.518%0.18230%0.301CS..  trans-77.488.2-173.630.7-35.4000111.5Y204 P289 M290 F291P159-Y204 HydrophobicContact CG-CD1 3.94Å; P159-Y204 HydrophobicContact CG-CD2 4.35Å; P159-Y204 HydrophobicContact CG-CE1 4.11Å; P159-Y204 HydrophobicContact CG-CG 4.05Å; P159-P289 WeakPolarHBondContact CB-O 3.37Å; P159-P289 WeakPolarHBondContact CG-O 3.22Å; P159-M290 WeakPolarHBondContact O-CA 3.38Å; P159-F291 HydrophobicContact CG-CD2 4.23Å; P159-F291 HydrophobicContact CG-CE2 4.3Å; P159-F291 PolarHBondContact O-N 2.77Å
160V97Very high96.8Very high13 Ų1352.2 Ų52.28%0.07931%0.305CS..BIsolated β-bridgetrans-125.8157.7170.9-66.10000110.8L153 V154 V158 A162 M208 F291 L294L153-V160 HydrophobicContact CB-CG2 3.7Å; L153-V160 HydrophobicContact CD1-CG1 4.07Å; L153-V160 HydrophobicContact CD1-CG2 4.32Å; V154-V160 HydrophobicContact CG2-CG2 3.66Å; V154-V160 WeakPolarHBondContact CG2-O 3.42Å; V158-V160 HydrophobicContact CG1-CG1 4.38Å; V158-V160 PolarHBondContact O-N 2.98Å; V160-A162 PolarHBondContact O-N 3.01Å; V160-M208 HydrophobicContact CG1-CE 4.3Å; V160-F291 HydrophobicContact CG1-CB 3.86Å; V160-L294 HydrophobicContact CG1-CD1 4.49Å
161A93.6Very high96.8Very high23 Ų2353 Ų5319%0.1931%0.309CS..  trans-84.9104.3167.800000110.2F182 V185A161-F182 WeakPolarHBondContact O-CD1 3.4Å; A161-V185 HydrophobicContact CB-CG1 4.06Å; A161-V185 HydrophobicContact CB-CG2 4.26Å
162A97.2Very high96.7Very high14 Ų1450.1 Ų50.112%0.11629%0.294CS..PPolyproline II helixtrans-83.7150.817400000112.2A150 L151 V154 V160 P183A150-A162 HydrophobicContact CB-CB 4.2Å; L151-A162 HydrophobicContact CD2-CB 3.88Å; L151-A162 HydrophobicContact CG-CB 4.3Å; V154-A162 HydrophobicContact CB-CB 4.5Å; V154-A162 HydrophobicContact CG2-CB 3.67Å; V160-A162 PolarHBondContact O-N 3.01Å; A162-P183 WeakPolarHBondContact O-CD 3.43Å
163P97.9Very high96.5Very high5 Ų550.6 Ų50.63%0.03230%0.298CS..PPolyproline II helixtrans-69.6143.3178.628.1-33.1000111.7H147 T170 A180 V181 F182H147-P163 HydrophobicContact CB-CG 3.75Å; P163-T170 HydrophobicContact CB-CG2 4.3Å; P163-T170 HydrophobicContact CG-CG2 4.05Å; P163-A180 HydrophobicContact CB-CB 4.35Å; P163-V181 CarbonylContact C-O 3.31Å; P163-V181 WeakPolarHBondContact CA-O 3.3Å; P163-F182 HydrophobicContact CB-CD1 4.07Å; P163-F182 HydrophobicContact CB-CE1 3.64Å; P163-F182 HydrophobicContact CB-CZ 3.92Å; P163-F182 HydrophobicContact CG-CE1 4.13Å
164V96.7Very high96.2Very high43 Ų4351.5 Ų51.526%0.26130%0.302SS..PPolyproline II helixtrans-76.2134.5174.6-176.40000109.5F128 F166 V181 P183F128-V164 HydrophobicContact CE1-CG2 4.3Å; V164-F166 HydrophobicContact CB-CE2 3.82Å; V164-F166 HydrophobicContact CB-CZ 4.11Å; V164-F166 HydrophobicContact CG1-CE1 4.49Å; V164-F166 HydrophobicContact CG1-CE2 3.8Å; V164-F166 HydrophobicContact CG1-CZ 3.75Å; V164-F166 WeakPolarHBondContact O-CD2 3.42Å; V164-F166 WeakPolarHBondContact O-CE2 3.44Å; V164-V181 PolarHBondContact N-O 2.95Å; V164-P183 HydrophobicContact CG2-CG 4.16Å
165A96.4Very high95.7Very high59 Ų5952.7 Ų52.749%0.48830%0.304SS..PPolyproline II helixtrans-88.2131.9175.900000111.7Q169 T170A165-Q169 CarbonylContact C-O 3.24Å; A165-Q169 WeakPolarHBondContact CA-O 3.44Å; A165-T170 HydrophobicContact CB-CG2 3.95Å
166F94.3Very high95.2Very high36 Ų3647.8 Ų47.816%0.15828%0.284CS..BIsolated β-bridgetrans-115.9119.6171.8-60.2-92.2000108H99 I101 V164 G168 Q169 L172 V181H99-F166 HydrophobicContact CB-CD1 4.46Å; I101-F166 HydrophobicContact CD1-CD1 4.45Å; I101-F166 HydrophobicContact CD1-CE1 3.57Å; I101-F166 HydrophobicContact CD1-CE2 4.21Å; I101-F166 HydrophobicContact CD1-CZ 3.43Å; I101-F166 VanDerWaalsContact CD1-CZ 3.43Å; I101-F166 HydrophobicContact CG1-CD1 4.46Å; I101-F166 HydrophobicContact CG1-CE1 3.6Å; I101-F166 HydrophobicContact CG1-CZ 3.97Å; V164-F166 HydrophobicContact CB-CE2 3.82Å; V164-F166 HydrophobicContact CB-CZ 4.11Å; V164-F166 HydrophobicContact CG1-CE1 4.49Å; V164-F166 HydrophobicContact CG1-CE2 3.8Å; V164-F166 HydrophobicContact CG1-CZ 3.75Å; V164-F166 WeakPolarHBondContact O-CD2 3.42Å; V164-F166 WeakPolarHBondContact O-CE2 3.44Å; F166-G168 PolarHBondContact O-N 2.74Å; F166-G168 VanDerWaalsContact O-N 3.17Å; F166-Q169 PolarHBondContact N-O 3.23Å; F166-Q169 PolarHBondContact O-N 2.78Å; F166-L172 HydrophobicContact CB-CD2 4.29Å; F166-L172 HydrophobicContact CD2-CD1 3.82Å; F166-L172 HydrophobicContact CE2-CD1 4.41Å; F166-L172 HydrophobicContact CG-CD1 4.34Å; F166-V181 HydrophobicContact CE2-CB 3.92Å; F166-V181 HydrophobicContact CE2-CG2 4.21Å; F166-V181 HydrophobicContact CZ-CB 4.23Å; F166-V181 HydrophobicContact CZ-CG1 4.49Å; F166-V181 HydrophobicContact CZ-CG2 4.49Å
167N91.1Very high94.8Very high165 Ų16546.7 Ų46.788%0.88228%0.277SS*.THydrogen-bonded Turntrans51.936.5-174.1-58.3-33.4000113.5Q169N167-Q169 VanDerWaalsContact C-N 3.26Å; N167-Q169 PolarHBondContact O-N 3.39Å
168G93.8Very high94.8Very high74 Ų7444.6 Ų44.676%0.76326%0.264SS*.THydrogen-bonded Turntrans78.51-178.100000115.1F166F166-G168 PolarHBondContact O-N 2.74Å; F166-G168 VanDerWaalsContact O-N 3.17Å
169Q96.7Very high94.7Very high121 Ų12144.4 Ų44.457%0.56526%0.263SS*.BIsolated β-bridgetrans-109.3136.3178.5-63.7-177.8-20.900111A165 F166 N167 L172A165-Q169 CarbonylContact C-O 3.24Å; A165-Q169 WeakPolarHBondContact CA-O 3.44Å; F166-Q169 PolarHBondContact N-O 3.23Å; F166-Q169 PolarHBondContact O-N 2.78Å; N167-Q169 VanDerWaalsContact C-N 3.26Å; N167-Q169 PolarHBondContact O-N 3.39Å; Q169-L172 HydrophobicContact CB-CD2 4.29Å
170T98.1Very high94.8Very high16 Ų1643.1 Ų43.110%0.09825%0.254CS..SBendtrans-104.2-25.3176.948.70000112.1H147 L151 P163 A165 A180H147-T170 PolarHBondContact CE1-O 2.79Å; H147-T170 VanDerWaalsContact CE1-O 3.29Å; H147-T170 VanDerWaalsContact ND1-CB 3.3Å; H147-T170 WeakPolarHBondContact ND1-CB 3.35Å; H147-T170 PolarHBondContact ND1-OG1 3.17Å; L151-T170 HydrophobicContact CD1-CG2 4.25Å; P163-T170 HydrophobicContact CB-CG2 4.3Å; P163-T170 HydrophobicContact CG-CG2 4.05Å; A165-T170 HydrophobicContact CB-CG2 3.95Å; T170-A180 WeakPolarHBondContact O-CB 3.44Å
171L98.1Very high94.8Very high19 Ų1942.5 Ų42.510%0.09925%0.251CS..SBendtrans-99.2114.1172.8-175.660.9000109Y133 A140 I143 L144 Y178Y133-L171 HydrophobicContact CD2-CD1 4.13Å; Y133-L171 HydrophobicContact CE2-CD1 4.1Å; A140-L171 HydrophobicContact CB-CD2 3.95Å; I143-L171 HydrophobicContact CB-CD1 4.33Å; I143-L171 HydrophobicContact CB-CD2 4.11Å; I143-L171 HydrophobicContact CD1-CD1 4.49Å; I143-L171 HydrophobicContact CG2-CD1 3.53Å; I143-L171 HydrophobicContact CG2-CD2 4.09Å; I143-L171 HydrophobicContact CG2-CG 4.34Å; L144-L171 HydrophobicContact CD1-CD2 4.49Å; L144-L171 HydrophobicContact CD2-CB 3.68Å; L144-L171 HydrophobicContact CD2-CD2 4.33Å; L144-L171 HydrophobicContact CG-CB 4.22Å; L144-L171 HydrophobicContact CG-CD2 3.93Å; L171-Y178 HydrophobicContact CD1-CD1 4.3Å; L171-Y178 HydrophobicContact CD1-CG 4.37Å; L171-Y178 HydrophobicContact CD2-CD1 4.15Å; L171-Y178 HydrophobicContact CG-CD1 4.09Å
172L97.2Very high95Very high3 Ų342.5 Ų42.52%0.01625%0.247CC..EExtended strand (participates in β ladder)trans-105160.4-177.9-52.3179.3000109.6H99 F166 Q169 Y178 F179H99-L172 HydrophobicContact CB-CD1 4.3Å; F166-L172 HydrophobicContact CB-CD2 4.29Å; F166-L172 HydrophobicContact CD2-CD1 3.82Å; F166-L172 HydrophobicContact CE2-CD1 4.41Å; F166-L172 HydrophobicContact CG-CD1 4.34Å; Q169-L172 HydrophobicContact CB-CD2 4.29Å; L172-Y178 CarbonylContact O-C 3.5Å; L172-Y178 WeakPolarHBondContact O-CA 3.43Å; L172-F179 HydrophobicContact CB-CD1 3.82Å; L172-F179 HydrophobicContact CB-CD2 4.2Å; L172-F179 HydrophobicContact CB-CE1 3.41Å; L172-F179 VanDerWaalsContact CB-CE1 3.41Å; L172-F179 HydrophobicContact CB-CE2 3.84Å; L172-F179 HydrophobicContact CB-CG 4.2Å; L172-F179 HydrophobicContact CB-CZ 3.43Å; L172-F179 VanDerWaalsContact CB-CZ 3.43Å; L172-F179 WeakPolarHBondContact CB-O 3.24Å; L172-F179 HydrophobicContact CD1-CD2 4.23Å; L172-F179 HydrophobicContact CD1-CE1 4.45Å; L172-F179 HydrophobicContact CD1-CE2 3.47Å; L172-F179 VanDerWaalsContact CD1-CE2 3.47Å; L172-F179 HydrophobicContact CD1-CZ 3.6Å; L172-F179 HydrophobicContact CG-CE2 4.24Å; L172-F179 HydrophobicContact CG-CZ 4.16Å; L172-F179 PolarHBondContact N-O 2.91Å; L172-F179 PolarHBondContact O-N 3.03Å
173N94.3Very high94.9Very high67 Ų6744.6 Ų44.636%0.35826%0.259SS..EExtended strand (participates in β ladder)trans-132134.1176.1-168.3-71.4000109.9G176 F177 Y178N173-G176 PolarHBondContact OD1-N 2.76Å; N173-F177 VanDerWaalsContact CA-O 3.32Å; N173-F177 WeakPolarHBondContact CA-O 3.47Å; N173-Y178 HydrophobicContact CB-CD1 4.19Å; N173-Y178 HydrophobicContact CB-CE1 4.27Å; N173-Y178 WeakPolarHBondContact ND2-CD1 3.37Å; N173-Y178 WeakPolarHBondContact ND2-CE1 3.43Å
174H92.2Very high94.7Very high19 Ų1945.8 Ų45.89%0.08827%0.267CS..EExtended strand (participates in β ladder)trans-139.9124.4169.7-175.380.5000109.7A95 E98 G176 F177 F179A95-H174 HydrophobicContact CB-CB 3.48Å; A95-H174 VanDerWaalsContact CB-CB 3.48Å; E98-H174 IonicContact OE2-CE1 3.59Å; E98-H174 PolarHBondContact OE2-CE1 3.42Å; E98-H174 IonicContact OE2-CG 3.34Å; E98-H174 IonicContact OE2-ND1 3.79Å; E98-H174 PolarHBondContact OE2-ND1 2.95Å; H174-G176 PolarHBondContact O-N 2.98Å; H174-F177 PolarHBondContact N-O 3.14Å; H174-F177 PolarHBondContact O-N 3.27Å; H174-F179 HydrophobicContact CB-CD1 4.41Å; H174-F179 HydrophobicContact CB-CE1 3.87Å
175Q87.8Confident94.5Very high91 Ų9145.8 Ų45.843%0.42527%0.268SS..THydrogen-bonded Turntrans51.630.5179.1-61.6-177.721.700114.7R84R84-Q175 PolarHBondContact NH1-O 2.89Å
176G86.9Confident94Very high28 Ų2845.7 Ų45.729%0.28927%0.272SS..THydrogen-bonded Turntrans90.8-5.8-179.300000114.8N173 H174N173-G176 PolarHBondContact OD1-N 2.76Å; H174-G176 PolarHBondContact O-N 2.98Å
177F91Very high93.8Very high20 Ų2045.8 Ų45.89%0.08828%0.283CS..EExtended strand (participates in β ladder)trans-90.1129.2172.6-63-81.2000110.6L81 L87 F132 P135 N173 H174L81-F177 HydrophobicContact CD2-CD1 4.45Å; L81-F177 HydrophobicContact CD2-CE1 3.91Å; L81-F177 HydrophobicContact CD2-CE2 4.36Å; L81-F177 HydrophobicContact CD2-CZ 3.86Å; L87-F177 HydrophobicContact CD1-CD2 4.36Å; L87-F177 HydrophobicContact CD1-CE2 4.47Å; F132-F177 HydrophobicContact CD1-CB 3.91Å; F132-F177 HydrophobicContact CE1-CB 4.4Å; P135-F177 HydrophobicContact CG-CD1 4.14Å; P135-F177 HydrophobicContact CG-CE1 4.13Å; N173-F177 VanDerWaalsContact CA-O 3.32Å; N173-F177 WeakPolarHBondContact CA-O 3.47Å; H174-F177 PolarHBondContact N-O 3.14Å; H174-F177 PolarHBondContact O-N 3.27Å
178Y95.6Very high93.8Very high89 Ų8947.4 Ų47.435%0.34928%0.277SS..EExtended strand (participates in β ladder)trans-81.5136.8168.2-69.2-60.7000110.2Y133 A140 L171 L172 N173Y133-Y178 PolarHBondContact N-O 3.31Å; A140-Y178 HydrophobicContact CB-CE1 4.29Å; A140-Y178 HydrophobicContact CB-CE2 4.27Å; L171-Y178 HydrophobicContact CD1-CD1 4.3Å; L171-Y178 HydrophobicContact CD1-CG 4.37Å; L171-Y178 HydrophobicContact CD2-CD1 4.15Å; L171-Y178 HydrophobicContact CG-CD1 4.09Å; L172-Y178 CarbonylContact O-C 3.5Å; L172-Y178 WeakPolarHBondContact O-CA 3.43Å; N173-Y178 HydrophobicContact CB-CD1 4.19Å; N173-Y178 HydrophobicContact CB-CE1 4.27Å; N173-Y178 WeakPolarHBondContact ND2-CD1 3.37Å; N173-Y178 WeakPolarHBondContact ND2-CE1 3.43Å
179F96.9Very high93.7Very high0 Ų050.2 Ų50.20%027%0.27CS..EExtended strand (participates in β ladder)trans-147.5160.5177.474.9-81.3000112.4A95 L96 H99 V130 K131 F132 L172 H174 V181A95-F179 HydrophobicContact CB-CE1 3.93Å; A95-F179 HydrophobicContact CB-CZ 3.91Å; L96-F179 HydrophobicContact CD2-CE2 4.39Å; H99-F179 AromaticContact CE1-CZ 3.85Å; H99-F179 AromaticContact ND1-CZ 3.69Å; V130-F179 HydrophobicContact CG2-CD2 3.79Å; K131-F179 CarbonylContact O-C 3.4Å; K131-F179 WeakPolarHBondContact O-CA 3.4Å; K131-F179 WeakPolarHBondContact O-CB 3.41Å; F132-F179 HydrophobicContact CB-CB 4.47Å; F132-F179 HydrophobicContact CD1-CB 3.61Å; F132-F179 HydrophobicContact CD1-CG 4.28Å; F132-F179 HydrophobicContact CD2-CB 4.17Å; F132-F179 HydrophobicContact CE1-CB 3.74Å; F132-F179 AromaticContact CE1-CD1 3.99Å; F132-F179 HydrophobicContact CE1-CD1 3.99Å; F132-F179 AromaticContact CE1-CG 3.89Å; F132-F179 HydrophobicContact CE1-CG 3.89Å; F132-F179 HydrophobicContact CE2-CB 4.27Å; F132-F179 HydrophobicContact CG-CB 3.83Å; F132-F179 HydrophobicContact CZ-CB 4.06Å; F132-F179 HydrophobicContact CZ-CD1 4.41Å; F132-F179 HydrophobicContact CZ-CD2 4.34Å; F132-F179 HydrophobicContact CZ-CG 4.03Å; L172-F179 HydrophobicContact CB-CD1 3.82Å; L172-F179 HydrophobicContact CB-CD2 4.2Å; L172-F179 HydrophobicContact CB-CE1 3.41Å; L172-F179 VanDerWaalsContact CB-CE1 3.41Å; L172-F179 HydrophobicContact CB-CE2 3.84Å; L172-F179 HydrophobicContact CB-CG 4.2Å; L172-F179 HydrophobicContact CB-CZ 3.43Å; L172-F179 VanDerWaalsContact CB-CZ 3.43Å; L172-F179 WeakPolarHBondContact CB-O 3.24Å; L172-F179 HydrophobicContact CD1-CD2 4.23Å; L172-F179 HydrophobicContact CD1-CE1 4.45Å; L172-F179 HydrophobicContact CD1-CE2 3.47Å; L172-F179 VanDerWaalsContact CD1-CE2 3.47Å; L172-F179 HydrophobicContact CD1-CZ 3.6Å; L172-F179 HydrophobicContact CG-CE2 4.24Å; L172-F179 HydrophobicContact CG-CZ 4.16Å; L172-F179 PolarHBondContact N-O 2.91Å; L172-F179 PolarHBondContact O-N 3.03Å; H174-F179 HydrophobicContact CB-CD1 4.41Å; H174-F179 HydrophobicContact CB-CE1 3.87Å; F179-V181 HydrophobicContact CD2-CG2 4.45Å; F179-V181 HydrophobicContact CE2-CG2 4.35Å
180A98.1Very high93.5Very high0 Ų044.8 Ų44.80%025%0.245CC..EExtended strand (participates in β ladder)trans-140.7154.917400000110.4V130 K131 Y133 P163 T170 F182V130-A180 WeakPolarHBondContact CA-O 3.49Å; K131-A180 PolarHBondContact N-O 3.01Å; K131-A180 PolarHBondContact O-N 2.75Å; Y133-A180 HydrophobicContact CE2-CB 3.9Å; P163-A180 HydrophobicContact CB-CB 4.35Å; T170-A180 WeakPolarHBondContact O-CB 3.44Å; A180-F182 HydrophobicContact CB-CD2 4.46Å; A180-F182 HydrophobicContact CB-CE2 3.57Å; A180-F182 HydrophobicContact CB-CZ 3.89Å
181V97.7Very high93Very high1 Ų148.5 Ų48.51%0.00626%0.261CS..EExtended strand (participates in β ladder)trans-115.9133.3179.2-176.90000108.7L96 I101 F120 F128 V129 V130 P163 V164 F166 F179L96-V181 HydrophobicContact CD2-CG2 3.78Å; I101-V181 HydrophobicContact CD1-CB 4.5Å; I101-V181 HydrophobicContact CD1-CG1 4.4Å; I101-V181 HydrophobicContact CD1-CG2 3.81Å; F120-V181 HydrophobicContact CE1-CG1 4.45Å; F120-V181 HydrophobicContact CZ-CG1 4.22Å; F128-V181 HydrophobicContact CB-CG1 3.93Å; F128-V181 HydrophobicContact CD1-CG1 3.9Å; F128-V181 HydrophobicContact CG-CG1 4.1Å; V129-V181 CarbonylContact O-C 3.47Å; V129-V181 WeakPolarHBondContact O-CA 3.45Å; V130-V181 HydrophobicContact CB-CG2 4.4Å; V130-V181 HydrophobicContact CG2-CG2 4.18Å; P163-V181 CarbonylContact C-O 3.31Å; P163-V181 WeakPolarHBondContact CA-O 3.3Å; V164-V181 PolarHBondContact N-O 2.95Å; F166-V181 HydrophobicContact CE2-CB 3.92Å; F166-V181 HydrophobicContact CE2-CG2 4.21Å; F166-V181 HydrophobicContact CZ-CB 4.23Å; F166-V181 HydrophobicContact CZ-CG1 4.49Å; F166-V181 HydrophobicContact CZ-CG2 4.49Å; F179-V181 HydrophobicContact CD2-CG2 4.45Å; F179-V181 HydrophobicContact CE2-CG2 4.35Å
182F97.3Very high92.4Very high22 Ų2248.5 Ų48.510%0.09626%0.264CS..EExtended strand (participates in β ladder)trans-123.5147.3-176.1-60-99.5000109.4F128 V129 K131 A161 P163 A180 S184F128-F182 CarbonylContact C-O 3.55Å; F128-F182 WeakPolarHBondContact CA-O 3.41Å; F128-F182 WeakPolarHBondContact CD1-O 3.44Å; V129-F182 PolarHBondContact N-O 3.37Å; V129-F182 PolarHBondContact O-N 2.73Å; K131-F182 HydrophobicContact CB-CD2 4.35Å; K131-F182 HydrophobicContact CB-CE2 3.91Å; K131-F182 HydrophobicContact CD-CE2 4.01Å; K131-F182 HydrophobicContact CD-CZ 4.38Å; A161-F182 WeakPolarHBondContact O-CD1 3.4Å; P163-F182 HydrophobicContact CB-CD1 4.07Å; P163-F182 HydrophobicContact CB-CE1 3.64Å; P163-F182 HydrophobicContact CB-CZ 3.92Å; P163-F182 HydrophobicContact CG-CE1 4.13Å; A180-F182 HydrophobicContact CB-CD2 4.46Å; A180-F182 HydrophobicContact CB-CE2 3.57Å; A180-F182 HydrophobicContact CB-CZ 3.89Å; F182-S184 PolarHBondContact O-N 2.89Å
183P95.4Very high91.6Very high58 Ų5854.4 Ų54.438%0.37730%0.296SS..EExtended strand (participates in β ladder)trans-55.6132.9164.9-19.732.8000109.3A162 V164 V185A162-P183 WeakPolarHBondContact O-CD 3.43Å; V164-P183 HydrophobicContact CG2-CG 4.16Å; P183-V185 PolarHBondContact O-N 3.32Å
184S94.4Very high91.1Very high30 Ų3053.7 Ų53.721%0.2129%0.292CS..PPolyproline II helixtrans-71.7119.8175.4-177.60000109.3Q119 R127 F182Q119-S184 PolarHBondContact NE2-OG 3.16Å; R127-S184 VanDerWaalsContact C-CB 3.48Å; R127-S184 VanDerWaalsContact O-CB 3.29Å; R127-S184 WeakPolarHBondContact O-CB 3.38Å; R127-S184 PolarHBondContact O-N 2.91Å; F182-S184 PolarHBondContact O-N 2.89Å
185V91Very high90.6Very high44 Ų4456.9 Ų56.927%0.26731%0.309SS..PPolyproline II helixtrans-101145.6173.6-65.40000110.7A161 P183 L284 M290 V292A161-V185 HydrophobicContact CB-CG1 4.06Å; A161-V185 HydrophobicContact CB-CG2 4.26Å; P183-V185 PolarHBondContact O-N 3.32Å; V185-L284 HydrophobicContact CG2-CD1 4.13Å; V185-M290 HydrophobicContact CB-CG 4.48Å; V185-M290 HydrophobicContact CB-SD 3.31Å; V185-M290 WeakPolarHBondContact CB-SD 3.41Å; V185-M290 HydrophobicContact CG1-CE 4.24Å; V185-M290 HydrophobicContact CG1-SD 3.33Å; V185-M290 WeakPolarHBondContact CG1-SD 3.48Å; V185-M290 HydrophobicContact CG2-CG 4.49Å; V185-M290 HydrophobicContact CG2-SD 3.91Å; V185-V292 HydrophobicContact CG2-CG1 3.87Å
186G86.7Confident90.4Very high56 Ų5658.5 Ų58.558%0.57732%0.32SS*.  trans-134.3151.9178.500000110.3
187G90.5Very high90.6Very high38 Ų3857.8 Ų57.839%0.39231%0.309SS..  trans-178.8169.8179.600000109.5W285G187-W285 CarbonylContact C-O 3.48Å; G187-W285 WeakPolarHBondContact CA-O 3.46Å
188R91.3Very high90.5Very high200 Ų20057 Ų5776%0.75531%0.306SS*.EExtended strand (participates in β ladder)trans-76.5167.5165.8-62.6-176.3-172.9178.63.4108.7L284 W285R188-L284 CarbonylContact O-C 3.52Å; R188-L284 VanDerWaalsContact O-CA 3.31Å; R188-L284 WeakPolarHBondContact O-CA 3.27Å; R188-W285 PolarHBondContact N-O 2.74Å; R188-W285 PolarHBondContact O-N 3.05Å
189Q91.1Very high90.2Very high133 Ų13356.5 Ų56.562%0.62131%0.307SS*.EExtended strand (participates in β ladder)trans-68.9141.4169.7-170.5172.3-10.700109.4
190F91.9Very high90Very high6 Ų657.6 Ų57.63%0.02632%0.316CS..PPolyproline II helixtrans-59.6135.7169.7163.5-112.1000111.5A192 Q197 M198 V201 A280 I283 W285 L309F190-A192 HydrophobicContact CD1-CB 4.42Å; F190-A192 HydrophobicContact CE1-CB 3.78Å; F190-A192 HydrophobicContact CZ-CB 4.3Å; F190-Q197 HydrophobicContact CD2-CB 3.82Å; F190-Q197 HydrophobicContact CE2-CB 3.53Å; F190-M198 HydrophobicContact CE1-CE 4.36Å; F190-M198 HydrophobicContact CE1-SD 4.49Å; F190-M198 HydrophobicContact CZ-CE 3.88Å; F190-M198 HydrophobicContact CZ-SD 3.81Å; F190-V201 HydrophobicContact CD2-CG2 3.91Å; F190-V201 HydrophobicContact CE2-CG2 3.65Å; F190-V201 HydrophobicContact CG-CG2 4.49Å; F190-V201 HydrophobicContact CZ-CG2 4.03Å; F190-A280 HydrophobicContact CD1-CB 3.77Å; F190-A280 HydrophobicContact CE1-CB 4.22Å; F190-I283 HydrophobicContact CB-CB 3.72Å; F190-I283 HydrophobicContact CB-CG2 3.71Å; F190-I283 WeakPolarHBondContact CB-O 3.39Å; F190-I283 HydrophobicContact CD1-CB 4.34Å; F190-I283 HydrophobicContact CD1-CD1 4.14Å; F190-I283 HydrophobicContact CE1-CD1 4.47Å; F190-I283 HydrophobicContact CG-CB 4.19Å; F190-I283 HydrophobicContact CG-CG2 4.07Å; F190-I283 PolarHBondContact N-O 3.13Å; F190-I283 VanDerWaalsContact N-O 3.1Å; F190-W285 HydrophobicContact CD2-CE3 4.13Å; F190-L309 HydrophobicContact CE1-CD2 4.09Å
191E88.4Confident90Very high94 Ų9457.6 Ų57.644%0.43932%0.316SS..  trans-97.6103179-70.7171.5-174.800109.4D193 N194 Q197E191-D193 PolarHBondContact O-N 2.79Å; E191-N194 HydrophobicContact CB-CB 3.91Å; E191-N194 WeakPolarHBondContact O-CB 3.46Å; E191-N194 PolarHBondContact O-N 3.19Å; E191-N194 VanDerWaalsContact O-N 3.08Å; E191-Q197 PolarHBondContact OE2-NE2 3.24Å
192A84Confident89.9Confident20 Ų2057.5 Ų57.517%0.16532%0.315CS..THydrogen-bonded Turntrans-72.7-6.4-175.100000114.5F190 M198 A280 N311F190-A192 HydrophobicContact CD1-CB 4.42Å; F190-A192 HydrophobicContact CE1-CB 3.78Å; F190-A192 HydrophobicContact CZ-CB 4.3Å; A192-M198 HydrophobicContact CB-CE 4.06Å; A192-M198 WeakPolarHBondContact O-CE 3.45Å; A192-A280 HydrophobicContact CB-CB 4.33Å; A192-N311 WeakPolarHBondContact CB-ND2 3.32Å; A192-N311 PolarHBondContact O-ND2 3.4Å; A192-N311 VanDerWaalsContact O-ND2 3.15Å
193D80.6Confident89.9Confident127 Ų12758.9 Ų58.968%0.67932%0.32SS*.THydrogen-bonded Turntrans-94.6-8.5171.958.7-26.5000112.6E191 I195E191-D193 PolarHBondContact O-N 2.79Å; D193-I195 PolarHBondContact O-N 3.33Å
194N84.8Confident90Very high51 Ų5159.9 Ų59.927%0.27332%0.317SS..  trans-89.5106.7177.6-170.8-37.3000110.9E191 D196 Q197 M198E191-N194 HydrophobicContact CB-CB 3.91Å; E191-N194 WeakPolarHBondContact O-CB 3.46Å; E191-N194 PolarHBondContact O-N 3.19Å; E191-N194 VanDerWaalsContact O-N 3.08Å; N194-D196 VanDerWaalsContact C-N 3.33Å; N194-D196 PolarHBondContact O-N 2.93Å; N194-D196 PolarHBondContact OD1-N 3.29Å; N194-Q197 HydrophobicContact CB-CB 4.14Å; N194-Q197 HydrophobicContact CB-CG 3.92Å; N194-Q197 PolarHBondContact ND2-NE2 2.95Å; N194-Q197 PolarHBondContact O-N 3.21Å; N194-Q197 VanDerWaalsContact O-N 3.14Å; N194-Q197 PolarHBondContact OD1-N 3.03Å; N194-M198 PolarHBondContact O-N 3.28Å
195I80.6Confident90.2Very high87 Ų8758.4 Ų58.445%0.44631%0.307SS..Hα-helixtrans-57.4-42.2-175.9-63.8171.3000112D193 Q197 M198 E199 M319 T323D193-I195 PolarHBondContact O-N 3.33Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 2.77Å; I195-M198 WeakPolarHBondContact O-CB 3.32Å; I195-M198 PolarHBondContact O-N 3.07Å; I195-E199 PolarHBondContact O-N 2.94Å; I195-M319 HydrophobicContact CD1-CE 3.63Å; I195-T323 HydrophobicContact CG2-CG2 4.17Å
196D83.9Confident90.6Very high124 Ų12456.3 Ų56.366%0.66329%0.294SS*.Hα-helixtrans-64.9-38.3-179.7-62.9-23.9000111.3N194 A200N194-D196 VanDerWaalsContact C-N 3.33Å; N194-D196 PolarHBondContact O-N 2.93Å; N194-D196 PolarHBondContact OD1-N 3.29Å; D196-A200 PolarHBondContact O-N 3.15Å
197Q91.4Very high91.1Very high14 Ų1456 Ų567%0.06528%0.275CS..Hα-helixtrans-69.5-40.9175.2-59.7-170.325.300111.3F190 E191 N194 I195 A200 V201 W285F190-Q197 HydrophobicContact CD2-CB 3.82Å; F190-Q197 HydrophobicContact CE2-CB 3.53Å; E191-Q197 PolarHBondContact OE2-NE2 3.24Å; N194-Q197 HydrophobicContact CB-CB 4.14Å; N194-Q197 HydrophobicContact CB-CG 3.92Å; N194-Q197 PolarHBondContact ND2-NE2 2.95Å; N194-Q197 PolarHBondContact O-N 3.21Å; N194-Q197 VanDerWaalsContact O-N 3.14Å; N194-Q197 PolarHBondContact OD1-N 3.03Å; I195-Q197 VanDerWaalsContact C-N 3.32Å; I195-Q197 PolarHBondContact O-N 2.77Å; Q197-A200 PolarHBondContact O-N 2.65Å; Q197-V201 WeakPolarHBondContact O-CG2 3.01Å; Q197-V201 PolarHBondContact O-N 2.79Å; Q197-W285 VanDerWaalsContact CA-CH2 3.48Å; Q197-W285 HydrophobicContact CB-CD2 4.29Å; Q197-W285 HydrophobicContact CB-CE3 3.92Å; Q197-W285 HydrophobicContact CB-CH2 3.72Å; Q197-W285 HydrophobicContact CB-CZ2 4.1Å; Q197-W285 HydrophobicContact CB-CZ3 3.61Å; Q197-W285 HydrophobicContact CG-CD2 3.82Å; Q197-W285 HydrophobicContact CG-CE3 3.98Å; Q197-W285 HydrophobicContact CG-CH2 3.75Å; Q197-W285 HydrophobicContact CG-CZ2 3.57Å; Q197-W285 HydrophobicContact CG-CZ3 3.94Å
198M89.2Confident91.5Very high4 Ų454.2 Ų54.22%0.0226%0.256CS..Hα-helixtrans-61.7-44.7179.3-17167.376.600111.4F190 A192 N194 I195 A200 V201 G202 L309 I324F190-M198 HydrophobicContact CE1-CE 4.36Å; F190-M198 HydrophobicContact CE1-SD 4.49Å; F190-M198 HydrophobicContact CZ-CE 3.88Å; F190-M198 HydrophobicContact CZ-SD 3.81Å; A192-M198 HydrophobicContact CB-CE 4.06Å; A192-M198 WeakPolarHBondContact O-CE 3.45Å; N194-M198 PolarHBondContact O-N 3.28Å; I195-M198 WeakPolarHBondContact O-CB 3.32Å; I195-M198 PolarHBondContact O-N 3.07Å; M198-A200 PolarHBondContact O-N 2.97Å; M198-V201 PolarHBondContact O-N 2.98Å; M198-G202 PolarHBondContact O-N 2.75Å; M198-L309 HydrophobicContact CE-CB 4.34Å; M198-L309 HydrophobicContact SD-CB 4.03Å; M198-L309 HydrophobicContact SD-CD1 4.22Å; M198-I324 HydrophobicContact CG-CD1 4Å; M198-I324 HydrophobicContact CG-CG1 3.54Å; M198-I324 HydrophobicContact SD-CD1 3.53Å; M198-I324 VanDerWaalsContact SD-CD1 3.53Å; M198-I324 HydrophobicContact SD-CG1 3.66Å
199E88.7Confident91.8Very high77 Ų7744.7 Ų44.736%0.3622%0.221SC..Hα-helixtrans-58.4-47.2175.5-166.9-164134.100110.9I195 V201 G202 R203 T323 A327I195-E199 PolarHBondContact O-N 2.94Å; E199-V201 VanDerWaalsContact C-N 3.35Å; E199-V201 PolarHBondContact O-N 2.83Å; E199-G202 PolarHBondContact O-N 3.02Å; E199-R203 WeakPolarHBondContact O-CB 3.16Å; E199-R203 PolarHBondContact O-N 3.28Å; E199-R203 IonicContact OE1-CZ 2.77Å; E199-R203 IonicContact OE1-NH2 3.74Å; E199-R203 PolarHBondContact OE1-NH2 2.89Å; E199-T323 HydrophobicContact CB-CG2 4.04Å; E199-T323 HydrophobicContact CG-CG2 4.42Å; E199-A327 HydrophobicContact CG-CB 3.64Å; E199-A327 WeakPolarHBondContact O-CB 3.26Å
200A93.2Very high92.2Very high23 Ų2342.7 Ų42.719%0.1921%0.211CC..Hα-helixtrans-62.4-40177.400000112.6D196 Q197 M198 R203 Y204 W285D196-A200 PolarHBondContact O-N 3.15Å; Q197-A200 PolarHBondContact O-N 2.65Å; M198-A200 PolarHBondContact O-N 2.97Å; A200-R203 WeakPolarHBondContact O-CB 2.99Å; A200-R203 PolarHBondContact O-N 2.85Å; A200-Y204 VanDerWaalsContact O-CD2 3.28Å; A200-Y204 WeakPolarHBondContact O-CD2 3.48Å; A200-Y204 PolarHBondContact O-N 2.79Å; A200-Y204 VanDerWaalsContact O-N 3.15Å; A200-W285 HydrophobicContact CB-CH2 3.68Å; A200-W285 HydrophobicContact CB-CZ3 4.11Å
201V97.6Very high92.5Very high0 Ų042.4 Ų42.40%021%0.21CC..Hα-helixtrans-62-48.2173.91690000110.6F190 Q197 M198 E199 R203 Y204 L205 I283 W285 P289 F291 L309F190-V201 HydrophobicContact CD2-CG2 3.91Å; F190-V201 HydrophobicContact CE2-CG2 3.65Å; F190-V201 HydrophobicContact CG-CG2 4.49Å; F190-V201 HydrophobicContact CZ-CG2 4.03Å; Q197-V201 WeakPolarHBondContact O-CG2 3.01Å; Q197-V201 PolarHBondContact O-N 2.79Å; M198-V201 PolarHBondContact O-N 2.98Å; E199-V201 VanDerWaalsContact C-N 3.35Å; E199-V201 PolarHBondContact O-N 2.83Å; V201-R203 VanDerWaalsContact C-N 3.29Å; V201-R203 PolarHBondContact O-N 2.66Å; V201-Y204 PolarHBondContact O-N 3.11Å; V201-L205 HydrophobicContact CG1-CD1 4.01Å; V201-L205 HydrophobicContact CG1-CG 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 2.84Å; V201-I283 HydrophobicContact CG1-CD1 3.83Å; V201-I283 HydrophobicContact CG2-CD1 4.19Å; V201-I283 HydrophobicContact CG2-CG2 4.18Å; V201-W285 HydrophobicContact CG2-CZ3 4.43Å; V201-P289 HydrophobicContact CG2-CB 3.75Å; V201-P289 HydrophobicContact CG2-CG 4.27Å; V201-F291 HydrophobicContact CG1-CE1 4.23Å; V201-F291 HydrophobicContact CG1-CZ 4.18Å; V201-L309 HydrophobicContact CG1-CD1 3.62Å; V201-L309 HydrophobicContact CG1-CD2 4.47Å
202G96.6Very high93Very high0 Ų038 Ų380%019%0.189CC..Hα-helixtrans-55.6-44.6177.500000112.2M198 E199 Y204 L205 G206 Y328M198-G202 PolarHBondContact O-N 2.75Å; E199-G202 PolarHBondContact O-N 3.02Å; G202-Y204 PolarHBondContact O-N 3.22Å; G202-L205 PolarHBondContact O-N 2.72Å; G202-G206 PolarHBondContact O-N 3.07Å; G202-Y328 VanDerWaalsContact O-CA 3.32Å; G202-Y328 WeakPolarHBondContact O-CA 3.24Å
203R96.9Very high93.7Very high51 Ų5141.3 Ų41.319%0.19220%0.198CC..Hα-helixtrans-56.5-49.4175.1-169.3172.2-49.2-52.421.1113.4E199 A200 V201 G206 R207 A327 E330 F331E199-R203 WeakPolarHBondContact O-CB 3.16Å; E199-R203 PolarHBondContact O-N 3.28Å; E199-R203 IonicContact OE1-CZ 2.77Å; E199-R203 IonicContact OE1-NH2 3.74Å; E199-R203 PolarHBondContact OE1-NH2 2.89Å; A200-R203 WeakPolarHBondContact O-CB 2.99Å; A200-R203 PolarHBondContact O-N 2.85Å; V201-R203 VanDerWaalsContact C-N 3.29Å; V201-R203 PolarHBondContact O-N 2.66Å; R203-G206 PolarHBondContact O-N 2.69Å; R203-R207 PolarHBondContact O-N 2.89Å; R203-R207 VanDerWaalsContact O-N 3.13Å; R203-A327 WeakPolarHBondContact CA-O 3.26Å; R203-A327 HydrophobicContact CB-CB 4.33Å; R203-A327 PolarHBondContact NH1-O 3.21Å; R203-A327 VanDerWaalsContact NH1-O 3.08Å; R203-E330 VanDerWaalsContact CZ-CD 3.44Å; R203-E330 IonicContact CZ-OE1 2.66Å; R203-E330 IonicContact CZ-OE2 2.69Å; R203-E330 VanDerWaalsContact CZ-OE2 3.31Å; R203-E330 IonicContact NE-OE2 3.58Å; R203-E330 IonicContact NH1-OE1 3.67Å; R203-E330 PolarHBondContact NH1-OE1 3.28Å; R203-E330 IonicContact NH1-OE2 3.49Å; R203-E330 PolarHBondContact NH1-OE2 3.4Å; R203-E330 IonicContact NH2-OE1 2.6Å; R203-E330 PolarHBondContact NH2-OE1 3.09Å; R203-E330 IonicContact NH2-OE2 2.73Å; R203-F331 HydrophobicContact CG-CD2 3.86Å; R203-F331 HydrophobicContact CG-CE2 3.43Å; R203-F331 VanDerWaalsContact CG-CE2 3.43Å
204Y98.1Very high94.5Very high78 Ų7841.3 Ų41.331%0.30619%0.192SC..Hα-helixtrans-75-26.2-180-78.4-71.5000113.3P159 A200 V201 G202 G206 R207 M208 P289P159-Y204 HydrophobicContact CG-CD1 3.94Å; P159-Y204 HydrophobicContact CG-CD2 4.35Å; P159-Y204 HydrophobicContact CG-CE1 4.11Å; P159-Y204 HydrophobicContact CG-CG 4.05Å; A200-Y204 VanDerWaalsContact O-CD2 3.28Å; A200-Y204 WeakPolarHBondContact O-CD2 3.48Å; A200-Y204 PolarHBondContact O-N 2.79Å; A200-Y204 VanDerWaalsContact O-N 3.15Å; V201-Y204 PolarHBondContact O-N 3.11Å; G202-Y204 PolarHBondContact O-N 3.22Å; Y204-G206 VanDerWaalsContact C-N 3.34Å; Y204-R207 PolarHBondContact O-N 2.84Å; Y204-M208 WeakPolarHBondContact O-CB 3.25Å; Y204-M208 PolarHBondContact O-N 3.32Å; Y204-P289 HydrophobicContact CD2-CG 3.4Å; Y204-P289 VanDerWaalsContact CD2-CG 3.4Å; Y204-P289 HydrophobicContact CE2-CG 4.01Å; Y204-P289 HydrophobicContact CG-CG 4.21Å
205L98.5Very high95.1Very high0 Ų043.3 Ų43.30%020%0.199CC..Hα-helixtrans-64.2-41166.6-75.8175.9000111.2V201 G202 R207 M208 H209 F291 D305 L306 L309 Y328V201-L205 HydrophobicContact CG1-CD1 4.01Å; V201-L205 HydrophobicContact CG1-CG 4.31Å; V201-L205 WeakPolarHBondContact O-CG 3.39Å; V201-L205 PolarHBondContact O-N 2.84Å; G202-L205 PolarHBondContact O-N 2.72Å; L205-R207 VanDerWaalsContact C-N 3.28Å; L205-R207 PolarHBondContact O-N 2.87Å; L205-M208 HydrophobicContact CD2-SD 4.35Å; L205-M208 PolarHBondContact O-N 3.39Å; L205-H209 WeakPolarHBondContact O-CB 3.42Å; L205-H209 PolarHBondContact O-N 3.19Å; L205-F291 HydrophobicContact CD2-CE1 3.81Å; L205-F291 HydrophobicContact CD2-CZ 4.17Å; L205-F291 HydrophobicContact CG-CE1 4.1Å; L205-F291 HydrophobicContact CG-CZ 4.11Å; L205-D305 WeakPolarHBondContact CD1-O 3.17Å; L205-D305 HydrophobicContact CD2-CB 4.09Å; L205-L306 HydrophobicContact CD1-CD1 4.37Å; L205-L306 HydrophobicContact CD1-CG 4.5Å; L205-L309 HydrophobicContact CD1-CD1 3.82Å; L205-Y328 HydrophobicContact CB-CD2 4.02Å; L205-Y328 HydrophobicContact CB-CE2 4.36Å
206G98.1Very high95.9Very high0 Ų043.1 Ų43.10%020%0.199CC..Hα-helixtrans-55.5-44.9172.700000111.9G202 R203 Y204 Q210 Y328 F331 S332G202-G206 PolarHBondContact O-N 3.07Å; R203-G206 PolarHBondContact O-N 2.69Å; Y204-G206 VanDerWaalsContact C-N 3.34Å; G206-Q210 WeakPolarHBondContact O-CB 3.48Å; G206-Q210 PolarHBondContact O-N 3.32Å; G206-Y328 VanDerWaalsContact CA-CE2 3.41Å; G206-F331 VanDerWaalsContact C-CB 3.49Å; G206-S332 WeakPolarHBondContact O-CB 3.47Å; G206-S332 PolarHBondContact O-OG 2.97Å
207R97.9Very high96.6Very high49 Ų4937.8 Ų37.819%0.18517%0.17CC..Hα-helixtrans-69.6-42176.2-167-178.4-96.7-123.513.7112.5D156 E157 V158 R203 Y204 L205 H209 Q210 T211 F331D156-R207 WeakPolarHBondContact O-CD 3.46Å; D156-R207 PolarHBondContact O-NH1 2.95Å; E157-R207 VanDerWaalsContact CB-NH1 3.32Å; E157-R207 IonicContact OE2-CZ 2.71Å; E157-R207 IonicContact OE2-NH1 3.65Å; E157-R207 PolarHBondContact OE2-NH1 2.89Å; E157-R207 IonicContact OE2-NH2 2.81Å; E157-R207 PolarHBondContact OE2-NH2 3.31Å; V158-R207 HydrophobicContact CG2-CB 3.98Å; V158-R207 HydrophobicContact CG2-CG 3.61Å; R203-R207 PolarHBondContact O-N 2.89Å; R203-R207 VanDerWaalsContact O-N 3.13Å; Y204-R207 PolarHBondContact O-N 2.84Å; L205-R207 VanDerWaalsContact C-N 3.28Å; L205-R207 PolarHBondContact O-N 2.87Å; R207-H209 VanDerWaalsContact C-N 3.34Å; R207-H209 PolarHBondContact O-N 2.94Å; R207-Q210 WeakPolarHBondContact O-CB 3.37Å; R207-Q210 PolarHBondContact O-N 3.36Å; R207-T211 PolarHBondContact O-N 3.41Å; R207-T211 VanDerWaalsContact O-N 3.16Å; R207-F331 HydrophobicContact CB-CB 4.34Å; R207-F331 HydrophobicContact CB-CD1 4.15Å; R207-F331 HydrophobicContact CB-CG 4.09Å; R207-F331 HydrophobicContact CG-CD1 4.22Å
208M98.7Very high97Very high0 Ų043.9 Ų43.90%020%0.201CC..Hα-helixtrans-57-47.5175-176.6-178.7-65.600111.3F149 L153 V158 V160 Y204 L205 Q210 T211 G212 H275 F291F149-M208 HydrophobicContact CZ-CG 4.2Å; L153-M208 HydrophobicContact CD1-CE 4.41Å; L153-M208 HydrophobicContact CD1-CG 4.11Å; L153-M208 HydrophobicContact CD2-CB 4.14Å; L153-M208 HydrophobicContact CD2-CG 3.65Å; V158-M208 HydrophobicContact CG1-CB 4.09Å; V158-M208 HydrophobicContact CG1-CE 3.99Å; V160-M208 HydrophobicContact CG1-CE 4.3Å; Y204-M208 WeakPolarHBondContact O-CB 3.25Å; Y204-M208 PolarHBondContact O-N 3.32Å; L205-M208 HydrophobicContact CD2-SD 4.35Å; L205-M208 PolarHBondContact O-N 3.39Å; M208-Q210 VanDerWaalsContact C-N 3.34Å; M208-T211 WeakPolarHBondContact O-CB 3.34Å; M208-T211 PolarHBondContact O-N 3.46Å; M208-G212 PolarHBondContact O-N 2.89Å; M208-H275 HydrophobicContact SD-CB 3.95Å; M208-F291 HydrophobicContact CE-CB 4.09Å; M208-F291 HydrophobicContact CE-CD1 4.02Å; M208-F291 HydrophobicContact CE-CD2 3.93Å; M208-F291 HydrophobicContact CE-CE1 4.45Å; M208-F291 HydrophobicContact CE-CE2 4.39Å; M208-F291 HydrophobicContact CE-CG 3.74Å
209H98.7Very high97.4Very high0 Ų047.9 Ų47.90%022%0.22CC..Hα-helixtrans-73.7-24.9179.3-67.6179000112.7L205 R207 T211 G212 R213 L272 A302 D305 Y328L205-H209 WeakPolarHBondContact O-CB 3.42Å; L205-H209 PolarHBondContact O-N 3.19Å; R207-H209 VanDerWaalsContact C-N 3.34Å; R207-H209 PolarHBondContact O-N 2.94Å; H209-T211 VanDerWaalsContact C-N 3.32Å; H209-G212 PolarHBondContact O-N 2.88Å; H209-R213 WeakPolarHBondContact O-CB 3.29Å; H209-R213 VanDerWaalsContact O-CG 3.27Å; H209-R213 WeakPolarHBondContact O-CG 3.45Å; H209-R213 PolarHBondContact O-N 2.84Å; H209-R213 PolarHBondContact O-NH1 2.89Å; H209-L272 HydrophobicContact CB-CD1 4.14Å; H209-L272 HydrophobicContact CB-CD2 4.15Å; H209-A302 PolarHBondContact CE1-O 3.49Å; H209-D305 IonicContact NE2-OD2 3.37Å; H209-D305 PolarHBondContact NE2-OD2 3.09Å; H209-D305 VanDerWaalsContact NE2-OD2 3.12Å; H209-Y328 HydrophobicContact CB-CE2 4.06Å; H209-Y328 VanDerWaalsContact CB-OH 3.26Å; H209-Y328 WeakPolarHBondContact CB-OH 3.22Å; H209-Y328 AromaticContact CG-CE2 3.89Å; H209-Y328 AromaticContact ND1-CE2 3.26Å; H209-Y328 VanDerWaalsContact ND1-CE2 3.26Å; H209-Y328 WeakPolarHBondContact ND1-CE2 3.29Å; H209-Y328 AromaticContact ND1-CZ 3.51Å; H209-Y328 PolarHBondContact ND1-OH 3.28Å
210Q98.4Very high97.8Very high91 Ų9144.4 Ų44.443%0.42520%0.203SC..Hα-helixtrans-60.3-45.1168.7-170-174.978.700110.3G206 R207 M208 F331 S332G206-Q210 WeakPolarHBondContact O-CB 3.48Å; G206-Q210 PolarHBondContact O-N 3.32Å; R207-Q210 WeakPolarHBondContact O-CB 3.37Å; R207-Q210 PolarHBondContact O-N 3.36Å; M208-Q210 VanDerWaalsContact C-N 3.34Å; Q210-F331 PolarHBondContact NE2-O 2.86Å; Q210-S332 WeakPolarHBondContact CA-OG 3.26Å; Q210-S332 PolarHBondContact N-OG 3.3Å
211T98.4Very high98Very high1 Ų144.8 Ų44.81%0.00620%0.204CC..Hα-helixtrans-67.3-40.2171.4-56.40000112.2F149 Q152 L153 D156 R207 M208 H209 R213 K214 R273F149-T211 HydrophobicContact CE2-CG2 4.21Å; Q152-T211 HydrophobicContact CB-CG2 3.96Å; L153-T211 HydrophobicContact CD2-CG2 3.94Å; D156-T211 WeakPolarHBondContact CB-OG1 3.3Å; D156-T211 WeakPolarHBondContact OD2-CB 3.26Å; D156-T211 WeakPolarHBondContact OD2-CG2 3.29Å; D156-T211 PolarHBondContact OD2-OG1 3.19Å; R207-T211 PolarHBondContact O-N 3.41Å; R207-T211 VanDerWaalsContact O-N 3.16Å; M208-T211 WeakPolarHBondContact O-CB 3.34Å; M208-T211 PolarHBondContact O-N 3.46Å; H209-T211 VanDerWaalsContact C-N 3.32Å; T211-R213 PolarHBondContact O-N 3.31Å; T211-K214 WeakPolarHBondContact O-CB 3.48Å; T211-K214 PolarHBondContact O-N 2.92Å; T211-K214 VanDerWaalsContact O-N 3.14Å; T211-R273 PolarHBondContact O-NH2 3.04Å; T211-R273 VanDerWaalsContact O-NH2 3.14Å
212G98.4Very high98.1Very high0 Ų047.9 Ų47.90%022%0.223CC..Hα-helixtrans-62.9-25.5-179.200000114M208 H209 R273M208-G212 PolarHBondContact O-N 2.89Å; H209-G212 PolarHBondContact O-N 2.88Å; G212-R273 PolarHBondContact O-N 3.35Å; G212-R273 VanDerWaalsContact O-N 3.13Å
213R98.2Very high98.1Very high91 Ų9148.2 Ų48.234%0.34323%0.225SC..THydrogen-bonded Turntrans-81.1-15.6175.7-75.3178.6-177.1102.1-14.2114.7H209 T211 Q215 L272 Y328 S332 E333H209-R213 WeakPolarHBondContact O-CB 3.29Å; H209-R213 VanDerWaalsContact O-CG 3.27Å; H209-R213 WeakPolarHBondContact O-CG 3.45Å; H209-R213 PolarHBondContact O-N 2.84Å; H209-R213 PolarHBondContact O-NH1 2.89Å; T211-R213 PolarHBondContact O-N 3.31Å; R213-Q215 VanDerWaalsContact C-N 3.29Å; R213-Q215 PolarHBondContact O-N 3.4Å; R213-L272 HydrophobicContact CG-CB 3.87Å; R213-L272 HydrophobicContact CG-CD2 4.03Å; R213-Y328 PolarHBondContact NH1-OH 2.84Å; R213-Y328 PolarHBondContact NH2-OH 3.41Å; R213-S332 PolarHBondContact NH1-OG 3.01Å; R213-E333 PolarHBondContact NH2-O 2.89Å
214K97.9Very high98.1Very high126 Ų12646.5 Ų46.555%0.54822%0.223SC..SBendtrans-63.7-34.3-177.1-65.6177.3-178.8173.30112.7D156 T211D156-K214 IonicContact OD1-NZ 3.81Å; D156-K214 PolarHBondContact OD1-NZ 2.93Å; D156-K214 IonicContact OD2-NZ 3.42Å; D156-K214 PolarHBondContact OD2-NZ 2.87Å; T211-K214 WeakPolarHBondContact O-CB 3.48Å; T211-K214 PolarHBondContact O-N 2.92Å; T211-K214 VanDerWaalsContact O-N 3.14Å
215Q97.4Very high98.1Very high94 Ų9444.5 Ų44.544%0.43922%0.217SC..  trans-159.9152.3176.963.4-177.420.200109.4R213 R273R213-Q215 VanDerWaalsContact C-N 3.29Å; R213-Q215 PolarHBondContact O-N 3.4Å; Q215-R273 VanDerWaalsContact O-CD 3.27Å; Q215-R273 WeakPolarHBondContact O-CD 3.49Å; Q215-R273 WeakPolarHBondContact O-CG 3.39Å; Q215-R273 PolarHBondContact O-NE 3.18Å
216L98.6Very high98.1Very high83 Ų8348.7 Ų48.744%0.43524%0.24SC..  trans-86.7160.1172.8-62.7-177.1000111.3V271L216-V271 HydrophobicContact CD1-CG1 4.34Å; L216-V271 HydrophobicContact CD2-CB 4.4Å; L216-V271 HydrophobicContact CD2-CG1 4.03Å; L216-V271 WeakPolarHBondContact CD2-O 3.38Å
217F98.6Very high98Very high11 Ų1150.5 Ų50.55%0.04825%0.248CC..  trans-67.8140.1160.9-63.4-59.8000110.1E145 F149 R220 R273 A297 N299E145-F217 HydrophobicContact CB-CD1 3.73Å; E145-F217 HydrophobicContact CB-CE1 4.01Å; E145-F217 HydrophobicContact CG-CD1 4.22Å; F149-F217 HydrophobicContact CB-CE1 3.88Å; F149-F217 HydrophobicContact CB-CZ 3.91Å; F149-F217 HydrophobicContact CD1-CE1 4.46Å; F149-F217 HydrophobicContact CD1-CE2 4.46Å; F149-F217 AromaticContact CD1-CZ 3.64Å; F149-F217 HydrophobicContact CD1-CZ 3.64Å; F149-F217 HydrophobicContact CE1-CZ 4.34Å; F149-F217 HydrophobicContact CG-CE1 4.33Å; F149-F217 AromaticContact CG-CZ 3.92Å; F149-F217 HydrophobicContact CG-CZ 3.92Å; F217-R220 HydrophobicContact CB-CB 3.63Å; F217-R220 HydrophobicContact CB-CG 4.35Å; F217-R220 HydrophobicContact CD1-CB 4.4Å; F217-R220 HydrophobicContact CD1-CG 4.27Å; F217-R220 HydrophobicContact CD2-CB 3.87Å; F217-R220 HydrophobicContact CD2-CG 4.33Å; F217-R220 HydrophobicContact CG-CB 3.74Å; F217-R220 HydrophobicContact CG-CG 4.09Å; F217-R273 HydrophobicContact CD1-CG 4.17Å; F217-R273 HydrophobicContact CD2-CB 3.98Å; F217-R273 HydrophobicContact CD2-CG 3.49Å; F217-R273 VanDerWaalsContact CD2-CG 3.49Å; F217-R273 HydrophobicContact CE1-CG 4.26Å; F217-R273 HydrophobicContact CE2-CB 3.57Å; F217-R273 HydrophobicContact CE2-CG 3.56Å; F217-R273 HydrophobicContact CG-CG 3.82Å; F217-R273 HydrophobicContact CZ-CB 4Å; F217-R273 HydrophobicContact CZ-CG 3.97Å; F217-A297 HydrophobicContact CE2-CB 4.3Å; F217-A297 HydrophobicContact CZ-CB 4.23Å; F217-N299 WeakPolarHBondContact CD2-OD1 3.47Å; F217-N299 PolarHBondContact N-OD1 2.89Å; F217-N299 PolarHBondContact O-ND2 2.9Å
218I98.4Very high98.1Very high143 Ų14349 Ų4973%0.73324%0.243SC*.SBendtrans-94.2-41.2176.1-60.2173.6000109.7E145E145-I218 WeakPolarHBondContact OE1-CA 3.38Å; E145-I218 WeakPolarHBondContact OE1-CB 3.4Å; E145-I218 PolarHBondContact OE1-N 3.49Å
219H98.3Very high98.1Very high87 Ų8749 Ų4940%0.40324%0.243SC..SBendtrans-99.7-32.7-174.9-57.4-81.4000113.2D141 Q142 E145D141-H219 HydrophobicContact CB-CB 4.29Å; Q142-H219 HydrophobicContact CG-CB 3.67Å; Q142-H219 WeakPolarHBondContact CG-O 3.43Å; Q142-H219 PolarHBondContact NE2-O 3.48Å; E145-H219 VanDerWaalsContact CD-N 3.32Å; E145-H219 IonicContact OE1-CD2 2.92Å; E145-H219 PolarHBondContact OE1-CD2 3.43Å; E145-H219 PolarHBondContact OE1-N 3.3Å; E145-H219 WeakPolarHBondContact OE2-CA 3.31Å; E145-H219 WeakPolarHBondContact OE2-CB 2.99Å; E145-H219 PolarHBondContact OE2-N 3Å
220R97.7Very high98Very high4 Ų452 Ų522%0.01526%0.258CS..SBendtrans-68.8138.7171.6-67.6-75.4-176.9142.9-3.2110W138 Q142 E145 E146 F217 D295 A297W138-R220 VanDerWaalsContact CZ2-NH1 3.28Å; Q142-R220 HydrophobicContact CB-CG 4.48Å; Q142-R220 PolarHBondContact O-NE 2.88Å; Q142-R220 PolarHBondContact O-NH2 2.83Å; Q142-R220 VanDerWaalsContact O-NH2 3.16Å; E145-R220 HydrophobicContact CB-CG 4.35Å; E145-R220 PolarHBondContact OE2-N 3.09Å; E146-R220 IonicContact OE2-CZ 3.9Å; E146-R220 IonicContact OE2-NH2 2.9Å; E146-R220 PolarHBondContact OE2-NH2 3.31Å; F217-R220 HydrophobicContact CB-CB 3.63Å; F217-R220 HydrophobicContact CB-CG 4.35Å; F217-R220 HydrophobicContact CD1-CB 4.4Å; F217-R220 HydrophobicContact CD1-CG 4.27Å; F217-R220 HydrophobicContact CD2-CB 3.87Å; F217-R220 HydrophobicContact CD2-CG 4.33Å; F217-R220 HydrophobicContact CG-CB 3.74Å; F217-R220 HydrophobicContact CG-CG 4.09Å; R220-D295 PolarHBondContact NH1-O 2.81Å; R220-A297 WeakPolarHBondContact CD-O 3.47Å
221P97.4Very high98Very high31 Ų3151.5 Ų51.520%0.20126%0.256CS..PPolyproline II helixtrans-67.1167-176.928.2-36.3000112.4W138 E227 R298 N299W138-P221 HydrophobicContact CH2-CG 3.82Å; W138-P221 HydrophobicContact CZ3-CG 4.04Å; P221-E227 WeakPolarHBondContact CB-OE2 3.44Å; P221-R298 VanDerWaalsContact CB-NH2 3.33Å; P221-R298 WeakPolarHBondContact O-CB 3.49Å; P221-N299 PolarHBondContact O-N 2.69Å
222T98.1Very high98Very high65 Ų6551.6 Ų51.640%0.39926%0.256SS..BIsolated β-bridgetrans-100.1142.6167.8-53.90000108.9G224 V271 N299T222-G224 PolarHBondContact O-N 2.71Å; T222-V271 HydrophobicContact CG2-CG1 4.05Å; T222-N299 CarbonylContact C-O 3.52Å; T222-N299 WeakPolarHBondContact CA-O 3.35Å; T222-N299 HydrophobicContact CG2-CB 3.94Å; T222-N299 WeakPolarHBondContact OG1-CB 3.34Å
223I98.2Very high97.9Very high7 Ų753.3 Ų53.34%0.03626%0.263CS..PPolyproline II helixtrans-58133.3173.3-65.7175.4000109.2Y228 W265 L274 R298 N299 Q304 L345 M348I223-Y228 HydrophobicContact CB-CE2 4.21Å; I223-Y228 HydrophobicContact CG1-CE2 3.99Å; I223-Y228 HydrophobicContact CG2-CD2 4.24Å; I223-Y228 HydrophobicContact CG2-CE2 4.02Å; I223-W265 HydrophobicContact CG2-CH2 3.98Å; I223-L274 HydrophobicContact CD1-CD1 3.9Å; I223-R298 HydrophobicContact CD1-CG 4.33Å; I223-R298 HydrophobicContact CG1-CG 4Å; I223-N299 PolarHBondContact N-O 3.33Å; I223-Q304 HydrophobicContact CD1-CB 4.19Å; I223-Q304 HydrophobicContact CD1-CG 3.63Å; I223-L345 HydrophobicContact CG2-CD2 3.79Å; I223-M348 HydrophobicContact CG2-SD 4.14Å
224G97.4Very high97.9Very high15 Ų1555 Ų5516%0.15527%0.272CS..  trans-174.5166.9179.300000113.7T222 N226 Y228T222-G224 PolarHBondContact O-N 2.71Å; G224-N226 VanDerWaalsContact C-N 3.3Å; G224-N226 PolarHBondContact O-N 3.08Å; G224-Y228 PolarHBondContact O-N 3.1Å; G224-Y228 VanDerWaalsContact O-N 3.15Å
225L98.1Very high97.8Very high37 Ų3751 Ų5119%0.19426%0.256CS..Hα-helixtrans-57.8-38.8-173.7-63.1169.9000113.2L229 I230 V261 T262 W265 M348L225-L229 HydrophobicContact CD2-CD1 3.78Å; L225-L229 WeakPolarHBondContact O-CA 3.49Å; L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.92Å; L225-I230 PolarHBondContact O-N 2.92Å; L225-I230 VanDerWaalsContact O-N 3.07Å; L225-V261 HydrophobicContact CD2-CG1 3.8Å; L225-T262 HydrophobicContact CD1-CG2 4.23Å; L225-W265 HydrophobicContact CD1-CB 4.36Å; L225-W265 HydrophobicContact CD1-CG 4.21Å; L225-W265 HydrophobicContact CD2-CB 4.03Å; L225-W265 HydrophobicContact CD2-CG 4Å; L225-W265 HydrophobicContact CG-CB 4.43Å; L225-W265 HydrophobicContact CG-CG 4.03Å; L225-M348 HydrophobicContact CD2-CE 3.49Å; L225-M348 VanDerWaalsContact CD2-CE 3.49Å; L225-M348 HydrophobicContact CG-CE 4.09Å
226N97.7Very high97.8Very high88 Ų8846.5 Ų46.547%0.47124%0.235SC..Iπ-helixtrans-62.5-54.5-173.3-17663.3000111.9G224 I230 E231G224-N226 VanDerWaalsContact C-N 3.3Å; G224-N226 PolarHBondContact O-N 3.08Å; N226-I230 PolarHBondContact O-N 3.1Å; N226-E231 PolarHBondContact ND2-OE1 2.99Å; N226-E231 WeakPolarHBondContact O-CG 3.49Å; N226-E231 PolarHBondContact O-N 3.43Å
227E96.7Very high97.7Very high37 Ų3747.6 Ų47.617%0.17324%0.239CC..Iπ-helixtrans-71.3-43.6-179.9-174.7-174.2147.800111.6P221 Q232 R298 Y352P221-E227 WeakPolarHBondContact CB-OE2 3.44Å; E227-Q232 VanDerWaalsContact O-CG 3.26Å; E227-Q232 WeakPolarHBondContact O-CG 3.38Å; E227-Q232 PolarHBondContact O-NE2 2.94Å; E227-R298 IonicContact OE1-CZ 2.73Å; E227-R298 IonicContact OE1-NH1 2.79Å; E227-R298 PolarHBondContact OE1-NH1 3.41Å; E227-R298 IonicContact OE1-NH2 3.44Å; E227-R298 PolarHBondContact OE1-NH2 3.21Å; E227-R298 IonicContact OE2-CZ 3.76Å; E227-R298 IonicContact OE2-NH1 3.78Å; E227-R298 IonicContact OE2-NH2 3.62Å; E227-R298 PolarHBondContact OE2-NH2 2.86Å; E227-Y352 HydrophobicContact CG-CE2 4.18Å
228Y98.4Very high97.5Very high18 Ų1853.6 Ų53.67%0.07127%0.271CS..Iπ-helixtrans-78.9-23.4-173-82-99.3000114.1I223 G224 Q232 R298 M348 V351 Y352I223-Y228 HydrophobicContact CB-CE2 4.21Å; I223-Y228 HydrophobicContact CG1-CE2 3.99Å; I223-Y228 HydrophobicContact CG2-CD2 4.24Å; I223-Y228 HydrophobicContact CG2-CE2 4.02Å; G224-Y228 PolarHBondContact O-N 3.1Å; G224-Y228 VanDerWaalsContact O-N 3.15Å; Y228-Q232 VanDerWaalsContact O-CG 3.29Å; Y228-Q232 WeakPolarHBondContact O-CG 3.47Å; Y228-R298 VanDerWaalsContact CE2-CZ 3.46Å; Y228-R298 VanDerWaalsContact OH-CD 3.28Å; Y228-R298 WeakPolarHBondContact OH-CD 3.34Å; Y228-R298 PolarHBondContact OH-NE 2.91Å; Y228-R298 PolarHBondContact OH-NH1 2.89Å; Y228-M348 HydrophobicContact CD1-CB 3.82Å; Y228-M348 HydrophobicContact CG-CB 4.06Å; Y228-M348 HydrophobicContact CG-CG 4.38Å; Y228-M348 HydrophobicContact CG-SD 4.34Å; Y228-V351 WeakPolarHBondContact O-CG1 3.44Å; Y228-Y352 HydrophobicContact CD1-CD1 4.48Å; Y228-Y352 HydrophobicContact CD1-CD2 4.12Å; Y228-Y352 AromaticContact CD1-CG 3.86Å; Y228-Y352 HydrophobicContact CD1-CG 3.86Å; Y228-Y352 HydrophobicContact CE1-CD1 4.24Å; Y228-Y352 HydrophobicContact CE1-CD2 4.47Å; Y228-Y352 HydrophobicContact CE1-CG 4.07Å; Y228-Y352 HydrophobicContact CG-CD2 4.39Å
229L98.5Very high97.2Very high0 Ų047.5 Ų47.50%024%0.242CC..Iπ-helixtrans-128.4-59.6-173.3-61.5179.4000113.2L225 E231 Q232 R233 I258 V261 M348 V351L225-L229 HydrophobicContact CD2-CD1 3.78Å; L225-L229 WeakPolarHBondContact O-CA 3.49Å; L225-L229 VanDerWaalsContact O-CB 3.32Å; L225-L229 WeakPolarHBondContact O-CB 3.49Å; L225-L229 PolarHBondContact O-N 2.92Å; L229-E231 PolarHBondContact O-N 3.18Å; L229-Q232 PolarHBondContact O-N 3.49Å; L229-Q232 VanDerWaalsContact O-N 3.16Å; L229-R233 WeakPolarHBondContact O-CB 3.34Å; L229-R233 PolarHBondContact O-N 3.49Å; L229-I258 HydrophobicContact CB-CD1 4.19Å; L229-I258 HydrophobicContact CB-CG1 4.03Å; L229-I258 HydrophobicContact CD1-CG1 4.28Å; L229-I258 HydrophobicContact CD2-CG1 4.3Å; L229-I258 HydrophobicContact CG-CG1 4.44Å; L229-V261 HydrophobicContact CD1-CB 3.83Å; L229-V261 HydrophobicContact CD1-CG1 3.68Å; L229-V261 HydrophobicContact CD1-CG2 4.29Å; L229-M348 HydrophobicContact CD1-CG 4.2Å; L229-M348 HydrophobicContact CD2-CG 4.24Å; L229-M348 HydrophobicContact CG-CG 4.05Å; L229-V351 HydrophobicContact CD2-CB 3.72Å; L229-V351 HydrophobicContact CD2-CG1 3.91Å; L229-V351 HydrophobicContact CD2-CG2 3.75Å
230I97.8Very high96.9Very high63 Ų6349.8 Ų49.832%0.32326%0.262SS..Iπ-helixtrans-65.6-45.5-166.4-56-56.7000111.8L225 N226 Q232 K234 I258L225-I230 PolarHBondContact O-N 2.92Å; L225-I230 VanDerWaalsContact O-N 3.07Å; N226-I230 PolarHBondContact O-N 3.1Å; I230-Q232 VanDerWaalsContact C-N 3.31Å; I230-K234 PolarHBondContact O-N 3.28Å; I230-I258 HydrophobicContact CD1-CG2 3.91Å
231E97.6Very high96.8Very high81 Ų8151 Ų5138%0.37927%0.269SS..Hα-helixtrans-67.2-34.9176-70.3177.6-176.200112.1N226 L229 K234 L235N226-E231 PolarHBondContact ND2-OE1 2.99Å; N226-E231 WeakPolarHBondContact O-CG 3.49Å; N226-E231 PolarHBondContact O-N 3.43Å; L229-E231 PolarHBondContact O-N 3.18Å; E231-K234 PolarHBondContact O-N 3.34Å; E231-L235 PolarHBondContact O-N 2.99Å
232Q97.8Very high96.8Very high2 Ų249.8 Ų49.81%0.00926%0.261CS..Hα-helixtrans-70.5-38.5-179.1-47.6-47.3-40.400111.4E227 Y228 L229 I230 K234 L235 F236 V351 Y352 A355E227-Q232 VanDerWaalsContact O-CG 3.26Å; E227-Q232 WeakPolarHBondContact O-CG 3.38Å; E227-Q232 PolarHBondContact O-NE2 2.94Å; Y228-Q232 VanDerWaalsContact O-CG 3.29Å; Y228-Q232 WeakPolarHBondContact O-CG 3.47Å; L229-Q232 PolarHBondContact O-N 3.49Å; L229-Q232 VanDerWaalsContact O-N 3.16Å; I230-Q232 VanDerWaalsContact C-N 3.31Å; Q232-K234 VanDerWaalsContact C-N 3.31Å; Q232-K234 PolarHBondContact O-N 3.32Å; Q232-L235 WeakPolarHBondContact O-CB 3.47Å; Q232-L235 PolarHBondContact O-N 3.23Å; Q232-L235 VanDerWaalsContact O-N 3.15Å; Q232-F236 WeakPolarHBondContact O-CD1 3.25Å; Q232-F236 WeakPolarHBondContact O-CG 3.31Å; Q232-F236 PolarHBondContact O-N 3.39Å; Q232-V351 HydrophobicContact CB-CG1 3.61Å; Q232-V351 HydrophobicContact CG-CG1 4.25Å; Q232-Y352 HydrophobicContact CG-CD2 4.14Å; Q232-A355 HydrophobicContact CB-CB 3.87Å; Q232-A355 HydrophobicContact CG-CB 4.18Å
233R98Very high96.6Very high37 Ų3747.6 Ų47.614%0.1425%0.248CC..Hα-helixtrans-62.3-36.1174.6175.253.7-175.469.59.6112.9L229 F236 E237 D255 I258L229-R233 WeakPolarHBondContact O-CB 3.34Å; L229-R233 PolarHBondContact O-N 3.49Å; R233-F236 PolarHBondContact O-N 3.42Å; R233-E237 IonicContact CZ-OE2 3.7Å; R233-E237 IonicContact NH1-OE2 3.57Å; R233-E237 PolarHBondContact NH1-OE2 3.44Å; R233-E237 PolarHBondContact O-N 2.84Å; R233-D255 WeakPolarHBondContact CD-OD1 3.47Å; R233-D255 IonicContact CZ-OD1 3.07Å; R233-D255 IonicContact CZ-OD2 2.71Å; R233-D255 IonicContact NE-OD1 3.88Å; R233-D255 PolarHBondContact NE-OD1 3.38Å; R233-D255 IonicContact NE-OD2 2.99Å; R233-D255 IonicContact NH2-OD1 3.49Å; R233-D255 PolarHBondContact NH2-OD1 3.49Å; R233-D255 IonicContact NH2-OD2 2.75Å; R233-D255 PolarHBondContact NH2-OD2 2.99Å; R233-I258 HydrophobicContact CB-CD1 3.64Å; R233-I258 HydrophobicContact CG-CD1 3.96Å
234K97.2Very high96.5Very high126 Ų12652.8 Ų52.855%0.54828%0.284SS..Hα-helixtrans-63.9-44173.2-66.4172.4-175.5172.10110.7I230 E231 Q232 F236 E237I230-K234 PolarHBondContact O-N 3.28Å; E231-K234 PolarHBondContact O-N 3.34Å; Q232-K234 VanDerWaalsContact C-N 3.31Å; Q232-K234 PolarHBondContact O-N 3.32Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.48Å; K234-E237 VanDerWaalsContact O-CB 3.28Å; K234-E237 WeakPolarHBondContact O-CB 3.37Å; K234-E237 PolarHBondContact O-N 3.02Å; K234-E237 VanDerWaalsContact O-N 3.08Å
235L96.5Very high96.4Very high41 Ų4155.5 Ų55.522%0.21531%0.313CS..Hα-helixtrans-58.2-41.1176.2-179.3151.5000112.1E231 Q232 E237 D238 A239 A355 M358 R359E231-L235 PolarHBondContact O-N 2.99Å; Q232-L235 WeakPolarHBondContact O-CB 3.47Å; Q232-L235 PolarHBondContact O-N 3.23Å; Q232-L235 VanDerWaalsContact O-N 3.15Å; L235-E237 PolarHBondContact O-N 2.84Å; L235-D238 PolarHBondContact O-N 2.98Å; L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 3.45Å; L235-A355 HydrophobicContact CD2-CB 4.27Å; L235-M358 HydrophobicContact CD2-CB 3.84Å; L235-M358 HydrophobicContact CD2-CE 4.23Å; L235-M358 HydrophobicContact CD2-CG 4.44Å; L235-M358 HydrophobicContact CD2-SD 3.75Å; L235-R359 HydrophobicContact CD1-CG 3.5Å; L235-R359 VanDerWaalsContact CD1-CG 3.5Å
236F97.5Very high96.3Very high0 Ų055.2 Ų55.20%031%0.311CS..Hα-helixtrans-63.5-29.8178-61.6-18.7000113.3Q232 R233 K234 I242 K247 F250 L251 T254 V351 L354 A355 M358 F386Q232-F236 WeakPolarHBondContact O-CD1 3.25Å; Q232-F236 WeakPolarHBondContact O-CG 3.31Å; Q232-F236 PolarHBondContact O-N 3.39Å; R233-F236 PolarHBondContact O-N 3.42Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 3.48Å; F236-I242 HydrophobicContact CB-CD1 4.08Å; F236-I242 WeakPolarHBondContact O-CD1 3.13Å; F236-K247 WeakPolarHBondContact O-CE 3.21Å; F236-F250 HydrophobicContact CB-CE1 4.11Å; F236-F250 AromaticContact CD2-CE1 3.59Å; F236-F250 HydrophobicContact CD2-CE1 3.59Å; F236-F250 AromaticContact CD2-CZ 3.92Å; F236-F250 HydrophobicContact CD2-CZ 3.92Å; F236-F250 HydrophobicContact CE2-CE1 4.1Å; F236-F250 AromaticContact CE2-CZ 3.94Å; F236-F250 HydrophobicContact CE2-CZ 3.94Å; F236-F250 AromaticContact CG-CE1 3.88Å; F236-F250 HydrophobicContact CG-CE1 3.88Å; F236-F250 HydrophobicContact CG-CZ 4.47Å; F236-L251 HydrophobicContact CB-CD2 3.67Å; F236-T254 HydrophobicContact CD2-CG2 3.98Å; F236-T254 HydrophobicContact CE2-CG2 4.07Å; F236-V351 HydrophobicContact CE2-CG1 3.88Å; F236-V351 HydrophobicContact CZ-CG1 4.05Å; F236-V351 WeakPolarHBondContact CZ-O 3.18Å; F236-L354 HydrophobicContact CE1-CB 4.36Å; F236-L354 HydrophobicContact CE1-CD2 4.24Å; F236-L354 HydrophobicContact CE1-CG 3.99Å; F236-L354 HydrophobicContact CE2-CD2 4.49Å; F236-L354 HydrophobicContact CZ-CB 4.07Å; F236-L354 HydrophobicContact CZ-CD2 3.94Å; F236-L354 HydrophobicContact CZ-CG 3.99Å; F236-A355 HydrophobicContact CE1-CB 3.68Å; F236-A355 HydrophobicContact CZ-CB 4.11Å; F236-M358 HydrophobicContact CD1-CE 4.15Å; F236-M358 HydrophobicContact CD1-SD 3.51Å; F236-M358 VanDerWaalsContact CD1-SD 3.51Å; F236-M358 HydrophobicContact CE1-SD 3.5Å; F236-M358 WeakPolarHBondContact CE1-SD 3.32Å; F236-F386 HydrophobicContact CE2-CE2 4.4Å
237E96Very high96.3Very high107 Ų10753 Ų5350%0.530%0.298SS..Hα-helixtrans-65.6-42.2179.8-164.4157.5169.300112.1R233 K234 L235 K247R233-E237 IonicContact CZ-OE2 3.7Å; R233-E237 IonicContact NH1-OE2 3.57Å; R233-E237 PolarHBondContact NH1-OE2 3.44Å; R233-E237 PolarHBondContact O-N 2.84Å; K234-E237 VanDerWaalsContact O-CB 3.28Å; K234-E237 WeakPolarHBondContact O-CB 3.37Å; K234-E237 PolarHBondContact O-N 3.02Å; K234-E237 VanDerWaalsContact O-N 3.08Å; L235-E237 PolarHBondContact O-N 2.84Å; E237-K247 VanDerWaalsContact O-CE 3.27Å; E237-K247 WeakPolarHBondContact O-CE 3.33Å; E237-K247 PolarHBondContact O-NZ 3.49Å
238D93.4Very high96.4Very high136 Ų13655.1 Ų55.173%0.72732%0.321SS*.Hα-helixtrans-89.5-13.4-178.7-63.6-38.3000112.9L235 T240L235-D238 PolarHBondContact O-N 2.98Å; D238-T240 PolarHBondContact O-N 3.35Å
239A93.2Very high96.4Very high15 Ų1557 Ų5712%0.12434%0.34CS..  trans-64.1126.5-173.300000114.2L235 I242 K247 M358L235-A239 WeakPolarHBondContact O-CB 3.46Å; L235-A239 PolarHBondContact O-N 3.45Å; A239-I242 HydrophobicContact CB-CD1 4.26Å; A239-I242 HydrophobicContact CB-CG1 4.04Å; A239-K247 VanDerWaalsContact O-CE 3.25Å; A239-K247 WeakPolarHBondContact O-CE 3.28Å; A239-K247 PolarHBondContact O-NZ 3.11Å; A239-M358 HydrophobicContact CB-CE 3.07Å
240T92.8Very high96.4Very high136 Ų13657 Ų5783%0.83434%0.34SS*.THydrogen-bonded Turntrans-83.4-11.3176.758.50000113.7D238 I242D238-T240 PolarHBondContact O-N 3.35Å; T240-I242 VanDerWaalsContact C-N 3.29Å
241L95.2Very high96.4Very high29 Ų2955.1 Ų55.115%0.15233%0.331CS..THydrogen-bonded Turntrans-74.5-20.4179.2-63.7174.3000113.1P243 M358 W361 L373 T374 W379L241-P243 WeakPolarHBondContact O-CD 3.4Å; L241-M358 HydrophobicContact CB-CE 4.35Å; L241-M358 HydrophobicContact CD1-CB 4.24Å; L241-M358 HydrophobicContact CD1-CG 4.18Å; L241-W361 HydrophobicContact CD1-CB 3.69Å; L241-W361 HydrophobicContact CD1-CD2 3.99Å; L241-W361 HydrophobicContact CD1-CG 3.54Å; L241-W361 VanDerWaalsContact CD2-CD1 3.48Å; L241-W361 HydrophobicContact CD2-CD2 4.16Å; L241-W361 HydrophobicContact CD2-CG 3.92Å; L241-W361 HydrophobicContact CG-CG 4.37Å; L241-L373 HydrophobicContact CD1-CD2 4.03Å; L241-T374 HydrophobicContact CD2-CG2 4.05Å; L241-W379 PolarHBondContact O-NE1 3.42Å
242I96.1Very high96.5Very high5 Ų557.4 Ų57.43%0.02634%0.339CS..SBendtrans-79.9121.6176.3-42.4-169.4000108.3F236 A239 T240 S244 K247 F250 M358 W379F236-I242 HydrophobicContact CB-CD1 4.08Å; F236-I242 WeakPolarHBondContact O-CD1 3.13Å; A239-I242 HydrophobicContact CB-CD1 4.26Å; A239-I242 HydrophobicContact CB-CG1 4.04Å; T240-I242 VanDerWaalsContact C-N 3.29Å; I242-S244 PolarHBondContact O-N 2.9Å; I242-K247 HydrophobicContact CB-CG 4.24Å; I242-K247 HydrophobicContact CG2-CB 4Å; I242-K247 HydrophobicContact CG2-CG 4.06Å; I242-F250 HydrophobicContact CD1-CD1 3.7Å; I242-F250 HydrophobicContact CD1-CE1 3.8Å; I242-F250 HydrophobicContact CG2-CD1 4.43Å; I242-M358 HydrophobicContact CD1-CE 4.01Å; I242-M358 HydrophobicContact CG1-CE 3.72Å; I242-W379 HydrophobicContact CB-CH2 4.39Å; I242-W379 HydrophobicContact CB-CZ2 4.39Å; I242-W379 HydrophobicContact CB-CZ3 4.43Å; I242-W379 HydrophobicContact CD1-CH2 3.91Å; I242-W379 HydrophobicContact CD1-CZ3 3.85Å; I242-W379 HydrophobicContact CG1-CE3 4.39Å; I242-W379 HydrophobicContact CG1-CH2 3.53Å; I242-W379 HydrophobicContact CG1-CZ2 3.84Å; I242-W379 HydrophobicContact CG1-CZ3 3.81Å; I242-W379 HydrophobicContact CG2-CD2 4.02Å; I242-W379 HydrophobicContact CG2-CE3 3.84Å; I242-W379 HydrophobicContact CG2-CZ3 4.08Å
243P95.5Very high96.5Very high20 Ų2057.3 Ų57.313%0.1334%0.339CS..  trans-54.1127.4176.2-26.735.1000111L241 G245 L246 K247 E376 W379L241-P243 WeakPolarHBondContact O-CD 3.4Å; P243-G245 PolarHBondContact O-N 3.4Å; P243-G245 VanDerWaalsContact O-N 3.15Å; P243-L246 HydrophobicContact CB-CB 4.4Å; P243-L246 HydrophobicContact CB-CD1 4.24Å; P243-L246 HydrophobicContact CB-CG 4.3Å; P243-L246 HydrophobicContact CG-CD1 4.31Å; P243-L246 PolarHBondContact O-N 3.24Å; P243-K247 PolarHBondContact O-N 3.23Å; P243-E376 HydrophobicContact CB-CG 3.96Å; P243-E376 HydrophobicContact CG-CG 3.86Å; P243-W379 HydrophobicContact CG-CG 4.26Å
244S94.5Very high96.6Very high115 Ų11555.6 Ų55.680%0.80433%0.333SS*.Hα-helixtrans-54.2-38.2-172.957.40000113.8I242 L246I242-S244 PolarHBondContact O-N 2.9Å; S244-L246 VanDerWaalsContact C-N 3.28Å; S244-L246 PolarHBondContact O-N 2.72Å
245G95.8Very high96.6Very high73 Ų7353 Ų5375%0.75333%0.325SS*.Hα-helixtrans-69.4-19.8177.200000114.9P243P243-G245 PolarHBondContact O-N 3.4Å; P243-G245 VanDerWaalsContact O-N 3.15Å
246L97.3Very high96.7Very high30 Ų3055.1 Ų55.116%0.15733%0.334CS..Hα-helixtrans-103.3-18.1-179.9-59.1-178.2000112.8P243 S244 A248 A249 F250 E376 W379 L380P243-L246 HydrophobicContact CB-CB 4.4Å; P243-L246 HydrophobicContact CB-CD1 4.24Å; P243-L246 HydrophobicContact CB-CG 4.3Å; P243-L246 HydrophobicContact CG-CD1 4.31Å; P243-L246 PolarHBondContact O-N 3.24Å; S244-L246 VanDerWaalsContact C-N 3.28Å; S244-L246 PolarHBondContact O-N 2.72Å; L246-A248 PolarHBondContact O-N 3.23Å; L246-A249 PolarHBondContact O-N 3.34Å; L246-F250 PolarHBondContact O-N 3.04Å; L246-E376 HydrophobicContact CD1-CB 3.99Å; L246-E376 HydrophobicContact CD1-CG 4.33Å; L246-E376 WeakPolarHBondContact CD1-O 3.33Å; L246-W379 HydrophobicContact CD1-CB 3.82Å; L246-L380 HydrophobicContact CD1-CD2 4.31Å; L246-L380 HydrophobicContact CD1-CG 3.95Å; L246-L380 HydrophobicContact CD2-CD2 3.64Å; L246-L380 HydrophobicContact CD2-CG 4.17Å
247K97.5Very high96.8Very high43 Ų4355.1 Ų55.119%0.18733%0.334CS..Hα-helixtrans-55.1-46.9-172.1-165.3174.3-143.6-178.20113.2F236 E237 A239 I242 P243 A249 F250 L251F236-K247 WeakPolarHBondContact O-CE 3.21Å; E237-K247 VanDerWaalsContact O-CE 3.27Å; E237-K247 WeakPolarHBondContact O-CE 3.33Å; E237-K247 PolarHBondContact O-NZ 3.49Å; A239-K247 VanDerWaalsContact O-CE 3.25Å; A239-K247 WeakPolarHBondContact O-CE 3.28Å; A239-K247 PolarHBondContact O-NZ 3.11Å; I242-K247 HydrophobicContact CB-CG 4.24Å; I242-K247 HydrophobicContact CG2-CB 4Å; I242-K247 HydrophobicContact CG2-CG 4.06Å; P243-K247 PolarHBondContact O-N 3.23Å; K247-A249 PolarHBondContact O-N 2.86Å; K247-F250 PolarHBondContact O-N 3.18Å; K247-L251 HydrophobicContact CG-CD1 4.06Å; K247-L251 HydrophobicContact CG-CG 4.24Å; K247-L251 WeakPolarHBondContact O-CB 3.43Å; K247-L251 VanDerWaalsContact O-CG 3.29Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 3.07Å
248A98.1Very high96.9Very high80 Ų8050.7 Ų50.766%0.66131%0.313SS*.Hα-helixtrans-61.6-42.1-178.700000112.8L246 K252L246-A248 PolarHBondContact O-N 3.23Å; A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 PolarHBondContact O-N 3.3Å; A248-K252 VanDerWaalsContact O-N 3.09Å
249A98.2Very high97.2Very high58 Ų5847.2 Ų47.248%0.47930%0.304SS..Hα-helixtrans-68.7-41.717800000111.7L246 K247 K252 A253L246-A249 PolarHBondContact O-N 3.34Å; K247-A249 PolarHBondContact O-N 2.86Å; A249-K252 PolarHBondContact O-N 3.41Å; A249-A253 PolarHBondContact O-N 3.4Å
250F98.5Very high97.4Very high0 Ų046.9 Ų46.90%030%0.3CS..Hα-helixtrans-63.3-45.4176.6174.8-99.3000112.5F236 I242 L246 K247 K252 A253 T254 L354 W379 Q382 F386F236-F250 HydrophobicContact CB-CE1 4.11Å; F236-F250 AromaticContact CD2-CE1 3.59Å; F236-F250 HydrophobicContact CD2-CE1 3.59Å; F236-F250 AromaticContact CD2-CZ 3.92Å; F236-F250 HydrophobicContact CD2-CZ 3.92Å; F236-F250 HydrophobicContact CE2-CE1 4.1Å; F236-F250 AromaticContact CE2-CZ 3.94Å; F236-F250 HydrophobicContact CE2-CZ 3.94Å; F236-F250 AromaticContact CG-CE1 3.88Å; F236-F250 HydrophobicContact CG-CE1 3.88Å; F236-F250 HydrophobicContact CG-CZ 4.47Å; I242-F250 HydrophobicContact CD1-CD1 3.7Å; I242-F250 HydrophobicContact CD1-CE1 3.8Å; I242-F250 HydrophobicContact CG2-CD1 4.43Å; L246-F250 PolarHBondContact O-N 3.04Å; K247-F250 PolarHBondContact O-N 3.18Å; F250-K252 VanDerWaalsContact C-N 3.35Å; F250-K252 PolarHBondContact O-N 2.88Å; F250-A253 PolarHBondContact O-N 3.25Å; F250-T254 PolarHBondContact O-N 3.45Å; F250-T254 PolarHBondContact O-OG1 2.73Å; F250-L354 HydrophobicContact CE2-CD2 3.98Å; F250-L354 HydrophobicContact CZ-CD2 3.53Å; F250-W379 HydrophobicContact CD1-CE3 4.3Å; F250-W379 AromaticContact CD1-CZ3 3.94Å; F250-W379 HydrophobicContact CD1-CZ3 3.94Å; F250-W379 AromaticContact CD2-CE3 3.87Å; F250-W379 HydrophobicContact CD2-CE3 3.87Å; F250-W379 AromaticContact CD2-CZ3 3.99Å; F250-W379 HydrophobicContact CD2-CZ3 3.99Å; F250-W379 HydrophobicContact CE1-CE3 4.46Å; F250-W379 AromaticContact CE1-CZ3 3.71Å; F250-W379 HydrophobicContact CE1-CZ3 3.71Å; F250-W379 HydrophobicContact CE2-CE3 4.06Å; F250-W379 AromaticContact CE2-CZ3 3.78Å; F250-W379 HydrophobicContact CE2-CZ3 3.78Å; F250-W379 HydrophobicContact CG-CE3 4.01Å; F250-W379 HydrophobicContact CG-CZ3 4.07Å; F250-W379 HydrophobicContact CZ-CE3 4.36Å; F250-W379 AromaticContact CZ-CZ3 3.65Å; F250-W379 HydrophobicContact CZ-CZ3 3.65Å; F250-Q382 HydrophobicContact CE2-CG 3.99Å; F250-F386 AromaticContact CE2-CD2 3.78Å; F250-F386 HydrophobicContact CE2-CD2 3.78Å; F250-F386 AromaticContact CE2-CE2 3.5Å; F250-F386 HydrophobicContact CE2-CE2 3.5Å; F250-F386 VanDerWaalsContact CE2-CE2 3.5Å; F250-F386 HydrophobicContact CE2-CZ 4.14Å; F250-F386 HydrophobicContact CZ-CD2 4.18Å; F250-F386 AromaticContact CZ-CE2 3.51Å; F250-F386 HydrophobicContact CZ-CE2 3.51Å; F250-F386 HydrophobicContact CZ-CZ 4.17Å
251L98.5Very high97.7Very high23 Ų2340.4 Ų40.412%0.1226%0.261CS..Hα-helixtrans-63-42177.5-68.6-179.4000111.4F236 K247 A253 T254 D255F236-L251 HydrophobicContact CB-CD2 3.67Å; K247-L251 HydrophobicContact CG-CD1 4.06Å; K247-L251 HydrophobicContact CG-CG 4.24Å; K247-L251 WeakPolarHBondContact O-CB 3.43Å; K247-L251 VanDerWaalsContact O-CG 3.29Å; K247-L251 WeakPolarHBondContact O-CG 3.29Å; K247-L251 PolarHBondContact O-N 3.07Å; L251-A253 PolarHBondContact O-N 3.01Å; L251-T254 WeakPolarHBondContact O-CB 3.49Å; L251-T254 PolarHBondContact O-N 3.39Å; L251-D255 VanDerWaalsContact O-CG 3.23Å; L251-D255 PolarHBondContact O-N 3.44Å
252K98.7Very high97.8Very high129 Ų12942.3 Ų42.356%0.56127%0.274SS*.Hα-helixtrans-58.8-47.5174-178.1-176.7170-171.60112.1A248 A249 F250 T254 D255 E256A248-K252 WeakPolarHBondContact O-CB 3.33Å; A248-K252 PolarHBondContact O-N 3.3Å; A248-K252 VanDerWaalsContact O-N 3.09Å; A249-K252 PolarHBondContact O-N 3.41Å; F250-K252 VanDerWaalsContact C-N 3.35Å; F250-K252 PolarHBondContact O-N 2.88Å; K252-T254 VanDerWaalsContact C-N 3.27Å; K252-T254 PolarHBondContact O-N 2.98Å; K252-D255 PolarHBondContact O-N 3.39Å; K252-E256 WeakPolarHBondContact CE-OE1 3.33Å; K252-E256 IonicContact NZ-OE1 3.73Å; K252-E256 WeakPolarHBondContact O-CG 3.46Å; K252-E256 PolarHBondContact O-N 3.46Å
253A98.7Very high97.9Very high1 Ų145.8 Ų45.81%0.00830%0.303CS..Hα-helixtrans-62.2-36.2176.600000112.2A249 F250 L251 L257 T383 F386 I387A249-A253 PolarHBondContact O-N 3.4Å; F250-A253 PolarHBondContact O-N 3.25Å; L251-A253 PolarHBondContact O-N 3.01Å; A253-L257 WeakPolarHBondContact O-CB 3.45Å; A253-L257 PolarHBondContact O-N 2.9Å; A253-T383 HydrophobicContact CB-CG2 3.84Å; A253-F386 HydrophobicContact CB-CB 4.12Å; A253-I387 HydrophobicContact CB-CD1 4.31Å; A253-I387 HydrophobicContact CB-CG1 3.77Å
254T98.7Very high97.9Very high0 Ų048.6 Ų48.60%032%0.315CS..Hα-helixtrans-64.1-44.7173.9-51.20000110.9F236 F250 L251 K252 E256 L257 I258 F386F236-T254 HydrophobicContact CD2-CG2 3.98Å; F236-T254 HydrophobicContact CE2-CG2 4.07Å; F250-T254 PolarHBondContact O-N 3.45Å; F250-T254 PolarHBondContact O-OG1 2.73Å; L251-T254 WeakPolarHBondContact O-CB 3.49Å; L251-T254 PolarHBondContact O-N 3.39Å; K252-T254 VanDerWaalsContact C-N 3.27Å; K252-T254 PolarHBondContact O-N 2.98Å; T254-E256 PolarHBondContact O-N 3.42Å; T254-L257 PolarHBondContact O-N 2.89Å; T254-I258 HydrophobicContact CG2-CD1 3.92Å; T254-I258 HydrophobicContact CG2-CG1 4.39Å; T254-I258 VanDerWaalsContact O-CG1 3.25Å; T254-I258 WeakPolarHBondContact O-CG1 3.44Å; T254-I258 PolarHBondContact O-N 3.22Å; T254-F386 HydrophobicContact CG2-CE2 4.17Å; T254-F386 WeakPolarHBondContact OG1-CD2 3.38Å; T254-F386 WeakPolarHBondContact OG1-CE2 3.46Å
255D98.7Very high98Very high72 Ų7244.3 Ų44.339%0.38528%0.281SS..Hα-helixtrans-63.9-41.2179.5-66.5-27.1000111.6R233 L251 K252 I258 A259R233-D255 WeakPolarHBondContact CD-OD1 3.47Å; R233-D255 IonicContact CZ-OD1 3.07Å; R233-D255 IonicContact CZ-OD2 2.71Å; R233-D255 IonicContact NE-OD1 3.88Å; R233-D255 PolarHBondContact NE-OD1 3.38Å; R233-D255 IonicContact NE-OD2 2.99Å; R233-D255 IonicContact NH2-OD1 3.49Å; R233-D255 PolarHBondContact NH2-OD1 3.49Å; R233-D255 IonicContact NH2-OD2 2.75Å; R233-D255 PolarHBondContact NH2-OD2 2.99Å; L251-D255 VanDerWaalsContact O-CG 3.23Å; L251-D255 PolarHBondContact O-N 3.44Å; K252-D255 PolarHBondContact O-N 3.39Å; D255-I258 PolarHBondContact O-N 3.4Å; D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.38Å
256E98.6Very high97.8Very high85 Ų8543.7 Ų43.740%0.39726%0.256SS..Hα-helixtrans-63.2-42.9173.9-72.2173.7179.500111.9K252 T254 A259 A260K252-E256 WeakPolarHBondContact CE-OE1 3.33Å; K252-E256 IonicContact NZ-OE1 3.73Å; K252-E256 WeakPolarHBondContact O-CG 3.46Å; K252-E256 PolarHBondContact O-N 3.46Å; T254-E256 PolarHBondContact O-N 3.42Å; E256-A259 PolarHBondContact O-N 2.78Å; E256-A260 PolarHBondContact O-N 2.88Å
257L98.7Very high97.5Very high0 Ų049.2 Ų49.20%028%0.281CS..Hα-helixtrans-62.8-44.9175.6-178.162.7000111.6A253 T254 A259 A260 V261 A347 V351 F386 Q389 A390 L393A253-L257 WeakPolarHBondContact O-CB 3.45Å; A253-L257 PolarHBondContact O-N 2.9Å; T254-L257 PolarHBondContact O-N 2.89Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.94Å; L257-A260 PolarHBondContact O-N 2.89Å; L257-V261 HydrophobicContact CD1-CG2 4.43Å; L257-V261 WeakPolarHBondContact O-CG2 3.46Å; L257-V261 PolarHBondContact O-N 2.99Å; L257-A347 HydrophobicContact CD1-CB 3.87Å; L257-A347 HydrophobicContact CD2-CB 4.39Å; L257-A347 HydrophobicContact CG-CB 4.29Å; L257-V351 HydrophobicContact CD2-CG2 3.91Å; L257-F386 HydrophobicContact CD2-CB 4.14Å; L257-F386 HydrophobicContact CD2-CD1 3.88Å; L257-F386 HydrophobicContact CD2-CD2 4.15Å; L257-F386 HydrophobicContact CD2-CE1 4.27Å; L257-F386 HydrophobicContact CD2-CG 3.8Å; L257-Q389 HydrophobicContact CD1-CB 3.89Å; L257-Q389 HydrophobicContact CD1-CG 3.79Å; L257-A390 HydrophobicContact CD1-CB 4.16Å; L257-L393 HydrophobicContact CD1-CD1 3.78Å
258I98.7Very high97.3Very high15 Ų1552.3 Ų52.38%0.07730%0.299CS..Hα-helixtrans-62.2-42.2178.2-70174.9000111L229 I230 R233 T254 D255 V261 T262L229-I258 HydrophobicContact CB-CD1 4.19Å; L229-I258 HydrophobicContact CB-CG1 4.03Å; L229-I258 HydrophobicContact CD1-CG1 4.28Å; L229-I258 HydrophobicContact CD2-CG1 4.3Å; L229-I258 HydrophobicContact CG-CG1 4.44Å; I230-I258 HydrophobicContact CD1-CG2 3.91Å; R233-I258 HydrophobicContact CB-CD1 3.64Å; R233-I258 HydrophobicContact CG-CD1 3.96Å; T254-I258 HydrophobicContact CG2-CD1 3.92Å; T254-I258 HydrophobicContact CG2-CG1 4.39Å; T254-I258 VanDerWaalsContact O-CG1 3.25Å; T254-I258 WeakPolarHBondContact O-CG1 3.44Å; T254-I258 PolarHBondContact O-N 3.22Å; D255-I258 PolarHBondContact O-N 3.4Å; I258-V261 PolarHBondContact O-N 2.92Å; I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 2.98Å; I258-T262 PolarHBondContact O-OG1 3.26Å
259A98.5Very high97.1Very high63 Ų6349.5 Ų49.552%0.52127%0.272SS..Hα-helixtrans-61.8-43.7176.300000111.6D255 E256 L257 T262 A263D255-A259 WeakPolarHBondContact O-CB 3.46Å; D255-A259 PolarHBondContact O-N 3.38Å; E256-A259 PolarHBondContact O-N 2.78Å; L257-A259 VanDerWaalsContact C-N 3.33Å; L257-A259 PolarHBondContact O-N 2.94Å; A259-T262 PolarHBondContact O-N 2.95Å; A259-A263 PolarHBondContact O-N 3.01Å
260A98.4Very high97Very high7 Ų751.3 Ų51.36%0.05828%0.278CS..Hα-helixtrans-62.6-47.917600000111.7E256 L257 T262 A263 H264 A390 L393E256-A260 PolarHBondContact O-N 2.88Å; L257-A260 PolarHBondContact O-N 2.89Å; A260-T262 VanDerWaalsContact C-N 3.33Å; A260-T262 PolarHBondContact O-N 3.17Å; A260-A263 PolarHBondContact O-N 3.47Å; A260-H264 PolarHBondContact O-CD2 3.41Å; A260-H264 VanDerWaalsContact O-CD2 3.25Å; A260-H264 PolarHBondContact O-N 3.01Å; A260-A390 HydrophobicContact CB-CB 4.33Å; A260-L393 HydrophobicContact CB-CB 4.15Å; A260-L393 HydrophobicContact CB-CD1 3.86Å
261V98.5Very high97Very high0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-60.6-44177.1177.80000111L225 L229 L257 I258 A263 H264 W265 P344 A347 M348 L393L225-V261 HydrophobicContact CD2-CG1 3.8Å; L229-V261 HydrophobicContact CD1-CB 3.83Å; L229-V261 HydrophobicContact CD1-CG1 3.68Å; L229-V261 HydrophobicContact CD1-CG2 4.29Å; L257-V261 HydrophobicContact CD1-CG2 4.43Å; L257-V261 WeakPolarHBondContact O-CG2 3.46Å; L257-V261 PolarHBondContact O-N 2.99Å; I258-V261 PolarHBondContact O-N 2.92Å; V261-A263 VanDerWaalsContact C-N 3.25Å; V261-A263 PolarHBondContact O-N 3.29Å; V261-H264 CarbonylContact O-C 3.53Å; V261-H264 PolarHBondContact O-N 3.11Å; V261-H264 VanDerWaalsContact O-N 3.12Å; V261-W265 VanDerWaalsContact O-CB 3.26Å; V261-W265 WeakPolarHBondContact O-CB 3.3Å; V261-W265 PolarHBondContact O-N 3.08Å; V261-P344 HydrophobicContact CG1-CB 4.03Å; V261-A347 HydrophobicContact CG2-CB 3.37Å; V261-M348 HydrophobicContact CG1-CE 4.06Å; V261-M348 HydrophobicContact CG1-CG 4.39Å; V261-L393 HydrophobicContact CG2-CD1 3.6Å
262T98Very high97Very high70 Ų7052.5 Ų52.543%0.42929%0.286SS..Hα-helixtrans-61.3-34.6179.5-560000112.2L225 I258 A259 A260 H264L225-T262 HydrophobicContact CD1-CG2 4.23Å; I258-T262 WeakPolarHBondContact O-CB 3.46Å; I258-T262 PolarHBondContact O-N 2.98Å; I258-T262 PolarHBondContact O-OG1 3.26Å; A259-T262 PolarHBondContact O-N 2.95Å; A260-T262 VanDerWaalsContact C-N 3.33Å; A260-T262 PolarHBondContact O-N 3.17Å; T262-H264 VanDerWaalsContact C-N 3.33Å
263A96.9Very high97Very high78 Ų7846.5 Ų46.565%0.64526%0.259SS*.Hα-helixtrans-71.4-25.8177.700000113.7A259 A260 V261A259-A263 PolarHBondContact O-N 3.01Å; A260-A263 PolarHBondContact O-N 3.47Å; V261-A263 VanDerWaalsContact C-N 3.25Å; V261-A263 PolarHBondContact O-N 3.29Å
264H95.6Very high97Very high79 Ų7946.4 Ų46.437%0.36626%0.259SS..Hα-helixtrans-110.3-5.8-177.1-68.1-77.7000113.8A260 V261 T262 R266 P344 L393A260-H264 PolarHBondContact O-CD2 3.41Å; A260-H264 VanDerWaalsContact O-CD2 3.25Å; A260-H264 PolarHBondContact O-N 3.01Å; V261-H264 CarbonylContact O-C 3.53Å; V261-H264 PolarHBondContact O-N 3.11Å; V261-H264 VanDerWaalsContact O-N 3.12Å; T262-H264 VanDerWaalsContact C-N 3.33Å; H264-R266 PolarHBondContact O-N 3.48Å; H264-P344 HydrophobicContact CB-CG 4.11Å; H264-L393 HydrophobicContact CB-CD2 4.43Å; H264-L393 PolarHBondContact CD2-O 3.2Å; H264-L393 PolarHBondContact CE1-O 2.92Å; H264-L393 PolarHBondContact NE2-O 2.66Å; H264-L393 VanDerWaalsContact NE2-O 3.14Å
265W96.8Very high97Very high25 Ų2546.4 Ų46.410%0.09526%0.259CS..  trans-74.8125.3174.7-177-106.5000110I223 L225 V261 F269 L341 P344 L345 M348I223-W265 HydrophobicContact CG2-CH2 3.98Å; L225-W265 HydrophobicContact CD1-CB 4.36Å; L225-W265 HydrophobicContact CD1-CG 4.21Å; L225-W265 HydrophobicContact CD2-CB 4.03Å; L225-W265 HydrophobicContact CD2-CG 4Å; L225-W265 HydrophobicContact CG-CB 4.43Å; L225-W265 HydrophobicContact CG-CG 4.03Å; V261-W265 VanDerWaalsContact O-CB 3.26Å; V261-W265 WeakPolarHBondContact O-CB 3.3Å; V261-W265 PolarHBondContact O-N 3.08Å; W265-F269 HydrophobicContact CH2-CE1 4.08Å; W265-F269 HydrophobicContact CH2-CZ 4.26Å; W265-F269 AromaticContact CZ2-CE1 3.86Å; W265-F269 HydrophobicContact CZ2-CE1 3.86Å; W265-F269 HydrophobicContact CZ2-CZ 4.01Å; W265-L341 HydrophobicContact CD2-CD2 4.41Å; W265-L341 HydrophobicContact CE3-CD2 3.69Å; W265-L341 HydrophobicContact CZ3-CD2 3.78Å; W265-P344 HydrophobicContact CE3-CB 3.9Å; W265-P344 HydrophobicContact CZ3-CB 4.45Å; W265-L345 HydrophobicContact CH2-CD2 4.02Å; W265-L345 HydrophobicContact CZ3-CD2 3.77Å; W265-L345 HydrophobicContact CZ3-CG 4.16Å; W265-M348 HydrophobicContact CD2-CE 3.69Å; W265-M348 HydrophobicContact CE3-CE 3.51Å; W265-M348 HydrophobicContact CE3-SD 4.34Å; W265-M348 HydrophobicContact CG-CE 4.34Å; W265-M348 HydrophobicContact CH2-CE 4.12Å; W265-M348 HydrophobicContact CH2-SD 4.38Å; W265-M348 HydrophobicContact CZ2-CE 4.27Å; W265-M348 HydrophobicContact CZ3-CE 3.73Å; W265-M348 HydrophobicContact CZ3-SD 4.03Å
266R92.2Very high96.9Very high60 Ų6043.1 Ų43.123%0.22624%0.242CC..  trans-118.7148.9176.966.3173.4-78.5-159.8-4.2109H264 D268 F269 D335 A337 L341H264-R266 PolarHBondContact O-N 3.48Å; R266-D268 VanDerWaalsContact CB-OD1 3.26Å; R266-D268 WeakPolarHBondContact CB-OD1 3.43Å; R266-D268 IonicContact CZ-OD1 3.98Å; R266-D268 IonicContact CZ-OD2 2.75Å; R266-D268 VanDerWaalsContact NE-CG 3.33Å; R266-D268 IonicContact NE-OD1 3.7Å; R266-D268 PolarHBondContact NE-OD1 3.29Å; R266-D268 IonicContact NE-OD2 2.66Å; R266-D268 PolarHBondContact NE-OD2 3.1Å; R266-D268 VanDerWaalsContact NH2-CG 3.26Å; R266-D268 PolarHBondContact NH2-O 3.45Å; R266-D268 IonicContact NH2-OD1 3.31Å; R266-D268 PolarHBondContact NH2-OD1 2.82Å; R266-D268 IonicContact NH2-OD2 3.42Å; R266-D268 PolarHBondContact NH2-OD2 2.79Å; R266-F269 VanDerWaalsContact O-CD1 3.31Å; R266-F269 WeakPolarHBondContact O-CD1 3.29Å; R266-F269 WeakPolarHBondContact O-CE1 3.37Å; R266-D335 IonicContact NH2-OD2 3.82Å; R266-A337 PolarHBondContact NH1-O 3.2Å; R266-L341 HydrophobicContact CG-CD1 4.3Å; R266-L341 HydrophobicContact CG-CD2 3.5Å; R266-L341 HydrophobicContact CG-CG 3.99Å
267E91.3Very high96.8Very high145 Ų14540.6 Ų40.668%0.67823%0.231SC*.  trans-118.21.9-178.3-65.1-175.3173.300112.7F269E267-F269 PolarHBondContact O-N 3.41Å; E267-F269 VanDerWaalsContact O-N 3.1Å
268D92.4Very high96.7Very high109 Ų10940.6 Ų40.658%0.58323%0.231SC*.  trans-84.348.1174.963.4-39.9000111.3R266R266-D268 VanDerWaalsContact CB-OD1 3.26Å; R266-D268 WeakPolarHBondContact CB-OD1 3.43Å; R266-D268 IonicContact CZ-OD1 3.98Å; R266-D268 IonicContact CZ-OD2 2.75Å; R266-D268 VanDerWaalsContact NE-CG 3.33Å; R266-D268 IonicContact NE-OD1 3.7Å; R266-D268 PolarHBondContact NE-OD1 3.29Å; R266-D268 IonicContact NE-OD2 2.66Å; R266-D268 PolarHBondContact NE-OD2 3.1Å; R266-D268 VanDerWaalsContact NH2-CG 3.26Å; R266-D268 PolarHBondContact NH2-O 3.45Å; R266-D268 IonicContact NH2-OD1 3.31Å; R266-D268 PolarHBondContact NH2-OD1 2.82Å; R266-D268 IonicContact NH2-OD2 3.42Å; R266-D268 PolarHBondContact NH2-OD2 2.79Å
269F95.1Very high96.6Very high21 Ų2142.5 Ų42.59%0.09224%0.24CC..SBendtrans-115.6157.9169.657-102.7000109.8W265 R266 E267 V271 P301 E338 L341W265-F269 HydrophobicContact CH2-CE1 4.08Å; W265-F269 HydrophobicContact CH2-CZ 4.26Å; W265-F269 AromaticContact CZ2-CE1 3.86Å; W265-F269 HydrophobicContact CZ2-CE1 3.86Å; W265-F269 HydrophobicContact CZ2-CZ 4.01Å; R266-F269 VanDerWaalsContact O-CD1 3.31Å; R266-F269 WeakPolarHBondContact O-CD1 3.29Å; R266-F269 WeakPolarHBondContact O-CE1 3.37Å; E267-F269 PolarHBondContact O-N 3.41Å; E267-F269 VanDerWaalsContact O-N 3.1Å; F269-V271 HydrophobicContact CD2-CG2 4.22Å; F269-V271 HydrophobicContact CE2-CG2 3.85Å; F269-V271 PolarHBondContact O-N 3.17Å; F269-P301 HydrophobicContact CB-CB 4.36Å; F269-P301 HydrophobicContact CD1-CB 4.18Å; F269-P301 HydrophobicContact CD2-CB 3.63Å; F269-P301 HydrophobicContact CD2-CG 4.44Å; F269-P301 HydrophobicContact CE1-CB 4.35Å; F269-P301 HydrophobicContact CE1-CG 4.43Å; F269-P301 HydrophobicContact CE2-CB 3.85Å; F269-P301 HydrophobicContact CE2-CG 4.18Å; F269-P301 HydrophobicContact CG-CB 3.81Å; F269-P301 HydrophobicContact CZ-CB 4.22Å; F269-P301 HydrophobicContact CZ-CG 4.18Å; F269-E338 HydrophobicContact CB-CG 4.07Å; F269-L341 HydrophobicContact CD1-CD1 3.62Å; F269-L341 HydrophobicContact CE1-CD1 4.08Å; F269-L341 HydrophobicContact CG-CD1 4.25Å
270T95.6Very high96.3Very high96 Ų9640.5 Ų40.559%0.58922%0.223SC*.  trans-80.1108.5176.2-61.70000109.4L272T270-L272 PolarHBondContact O-N 3.32Å
271V98Very high96Very high48 Ų4841.9 Ų41.929%0.29124%0.238SC..  trans-63.8134.3176.4-172.40000110.2L216 T222 F269 N299L216-V271 HydrophobicContact CD1-CG1 4.34Å; L216-V271 HydrophobicContact CD2-CB 4.4Å; L216-V271 HydrophobicContact CD2-CG1 4.03Å; L216-V271 WeakPolarHBondContact CD2-O 3.38Å; T222-V271 HydrophobicContact CG2-CG1 4.05Å; F269-V271 HydrophobicContact CD2-CG2 4.22Å; F269-V271 HydrophobicContact CE2-CG2 3.85Å; F269-V271 PolarHBondContact O-N 3.17Å; V271-N299 HydrophobicContact CG1-CB 3.68Å
272L98.5Very high95.8Very high0 Ų042.6 Ų42.60%024%0.242CC..EExtended strand (participates in β ladder)trans-143.1167.717464.888000111.4H209 R213 T270 L274 N299 G300 A302H209-L272 HydrophobicContact CB-CD1 4.14Å; H209-L272 HydrophobicContact CB-CD2 4.15Å; R213-L272 HydrophobicContact CG-CB 3.87Å; R213-L272 HydrophobicContact CG-CD2 4.03Å; T270-L272 PolarHBondContact O-N 3.32Å; L272-L274 HydrophobicContact CD1-CD2 3.38Å; L272-L274 HydrophobicContact CD1-CG 4.03Å; L272-L274 HydrophobicContact CG-CD2 4.21Å; L272-N299 CarbonylContact O-C 3.56Å; L272-N299 VanDerWaalsContact O-CA 3.26Å; L272-N299 WeakPolarHBondContact O-CA 3.13Å; L272-G300 PolarHBondContact N-O 3.17Å; L272-G300 PolarHBondContact O-N 2.78Å; L272-A302 HydrophobicContact CD2-CB 3.93Å
273R98.8Very high95.8Very high2 Ų239.3 Ų39.31%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-77.3122.9172.8-63.3-176.1-71164.22.3111F149 Q152 T211 G212 Q215 F217F149-R273 VanDerWaalsContact CD2-CZ 3.5Å; F149-R273 HydrophobicContact CE1-CB 4.22Å; F149-R273 HydrophobicContact CE2-CB 4.2Å; F149-R273 HydrophobicContact CZ-CB 3.97Å; Q152-R273 VanDerWaalsContact OE1-CZ 3.25Å; T211-R273 PolarHBondContact O-NH2 3.04Å; T211-R273 VanDerWaalsContact O-NH2 3.14Å; G212-R273 PolarHBondContact O-N 3.35Å; G212-R273 VanDerWaalsContact O-N 3.13Å; Q215-R273 VanDerWaalsContact O-CD 3.27Å; Q215-R273 WeakPolarHBondContact O-CD 3.49Å; Q215-R273 WeakPolarHBondContact O-CG 3.39Å; Q215-R273 PolarHBondContact O-NE 3.18Å; F217-R273 HydrophobicContact CD1-CG 4.17Å; F217-R273 HydrophobicContact CD2-CB 3.98Å; F217-R273 HydrophobicContact CD2-CG 3.49Å; F217-R273 VanDerWaalsContact CD2-CG 3.49Å; F217-R273 HydrophobicContact CE1-CG 4.26Å; F217-R273 HydrophobicContact CE2-CB 3.57Å; F217-R273 HydrophobicContact CE2-CG 3.56Å; F217-R273 HydrophobicContact CG-CG 3.82Å; F217-R273 HydrophobicContact CZ-CB 4Å; F217-R273 HydrophobicContact CZ-CG 3.97Å
274L98.7Very high95.7Very high0 Ų037.3 Ų37.30%020%0.2CC..EExtended strand (participates in β ladder)trans-106.3160.2-175.3-60168.5000111.2I223 L272 G276 A297 R298 G300 P301 Q304 D305I223-L274 HydrophobicContact CD1-CD1 3.9Å; L272-L274 HydrophobicContact CD1-CD2 3.38Å; L272-L274 HydrophobicContact CD1-CG 4.03Å; L272-L274 HydrophobicContact CG-CD2 4.21Å; L274-G276 VanDerWaalsContact C-N 3.27Å; L274-A297 VanDerWaalsContact O-CA 3.3Å; L274-A297 WeakPolarHBondContact O-CA 3.42Å; L274-A297 WeakPolarHBondContact O-CB 3.29Å; L274-R298 WeakPolarHBondContact CB-O 3.1Å; L274-R298 PolarHBondContact N-O 3.48Å; L274-R298 PolarHBondContact O-N 2.96Å; L274-G300 VanDerWaalsContact CD1-CA 3.44Å; L274-P301 WeakPolarHBondContact CD2-O 3.36Å; L274-Q304 HydrophobicContact CD1-CB 3.76Å; L274-Q304 HydrophobicContact CD1-CG 3.96Å; L274-D305 WeakPolarHBondContact CA-OD2 3.37Å; L274-D305 WeakPolarHBondContact CB-OD2 3.47Å
275H98.5Very high95.7Very high0 Ų035.9 Ų35.90%019%0.191CC..  trans-61.3-38.6155.5-171.3-58.2000111M208 D277 C278 V292 D293 L294 D296 A297 D305M208-H275 HydrophobicContact SD-CB 3.95Å; H275-D277 VanDerWaalsContact C-N 3.25Å; H275-D277 PolarHBondContact O-N 3.1Å; H275-D277 VanDerWaalsContact O-N 3.13Å; H275-C278 HydrophobicContact CB-CB 4.13Å; H275-V292 PolarHBondContact CE1-O 3.14Å; H275-V292 VanDerWaalsContact CE1-O 3.27Å; H275-V292 PolarHBondContact NE2-O 3.27Å; H275-D293 PolarHBondContact CE1-O 3.28Å; H275-L294 HydrophobicContact CB-CD2 4.16Å; H275-D296 CarbonylContact O-C 3.44Å; H275-A297 WeakPolarHBondContact O-CA 3.48Å; H275-A297 PolarHBondContact O-N 3.25Å; H275-D305 WeakPolarHBondContact CB-OD2 3.4Å; H275-D305 PolarHBondContact N-OD2 3.14Å
276G97.7Very high95.3Very high3 Ų343.4 Ų43.43%0.03122%0.22CC..SBendtrans85-32.4171.500000115.1L274 Q304 D305L274-G276 VanDerWaalsContact C-N 3.27Å; G276-Q304 PolarHBondContact O-NE2 3.26Å; G276-D305 PolarHBondContact N-OD1 2.99Å
277D96.8Very high95.2Very high31 Ų3147 Ų4717%0.16624%0.243CC..  trans-132.346.3175.7-162.138.6000112.6H275 H279 N282 D296 R349H275-D277 VanDerWaalsContact C-N 3.25Å; H275-D277 PolarHBondContact O-N 3.1Å; H275-D277 VanDerWaalsContact O-N 3.13Å; D277-H279 PolarHBondContact O-CD2 3.24Å; D277-H279 PolarHBondContact O-N 3.13Å; D277-H279 IonicContact OD1-CD2 3.85Å; D277-H279 IonicContact OD2-CD2 3.86Å; D277-H279 PolarHBondContact OD2-CD2 3.04Å; D277-H279 IonicContact OD2-NE2 2.69Å; D277-N282 PolarHBondContact O-ND2 2.96Å; D277-D296 HydrophobicContact CB-CB 4.08Å; D277-R349 IonicContact OD1-CZ 2.62Å; D277-R349 IonicContact OD1-NE 3.54Å; D277-R349 IonicContact OD1-NH2 2.75Å; D277-R349 PolarHBondContact OD1-NH2 3.5Å; D277-R349 IonicContact OD2-NH2 3.12Å
278C96.8Very high95.3Very high0 Ų041 Ų410%022%0.22CC..  trans-73.959.9-179-164.80000113.7H275 D305 M308H275-C278 HydrophobicContact CB-CB 4.13Å; C278-D305 HydrophobicContact CB-CB 3.84Å; C278-M308 HydrophobicContact CB-CE 4.36Å; C278-M308 WeakPolarHBondContact O-CB 3.46Å
279H94.7Very high95.5Very high55 Ų5536 Ų3626%0.25519%0.194SC..  trans-88.3160.2169.870.893.1000111.1D277 G281 N282 M308 R349D277-H279 PolarHBondContact O-CD2 3.24Å; D277-H279 PolarHBondContact O-N 3.13Å; D277-H279 IonicContact OD1-CD2 3.85Å; D277-H279 IonicContact OD2-CD2 3.86Å; D277-H279 PolarHBondContact OD2-CD2 3.04Å; D277-H279 IonicContact OD2-NE2 2.69Å; H279-G281 PolarHBondContact ND1-N 2.86Å; H279-G281 VanDerWaalsContact ND1-N 3.16Å; H279-G281 PolarHBondContact O-N 3.05Å; H279-N282 PolarHBondContact CD2-ND2 3.39Å; H279-N282 PolarHBondContact NE2-ND2 2.93Å; H279-N282 VanDerWaalsContact NE2-ND2 3.16Å; H279-N282 PolarHBondContact O-N 3.47Å; H279-M308 HydrophobicContact CB-CB 4.26Å; H279-R349 PolarHBondContact CD2-NH2 3.34Å
280A93.5Very high95.6Very high22 Ų2237.7 Ų37.718%0.18220%0.203CC..G310 helixtrans-55.2-22.2-175.500000115.5F190 A192 N282 I283F190-A280 HydrophobicContact CD1-CB 3.77Å; F190-A280 HydrophobicContact CE1-CB 4.22Å; A192-A280 HydrophobicContact CB-CB 4.33Å; A280-N282 VanDerWaalsContact C-N 3.31Å; A280-I283 PolarHBondContact O-N 3.28Å
281G92.2Very high95.7Very high35 Ų3533.2 Ų33.236%0.36118%0.175SC..G310 helixtrans-74.4-19.5176.100000114.2H279 I283H279-G281 PolarHBondContact ND1-N 2.86Å; H279-G281 VanDerWaalsContact ND1-N 3.16Å; H279-G281 PolarHBondContact O-N 3.05Å; G281-I283 VanDerWaalsContact C-N 3.33Å
282N94.7Very high95.5Very high16 Ų1632.5 Ų32.59%0.08617%0.171CC..G310 helixtrans-95.714.8176.7-73.9-13.5000112.6D277 H279 A280 V292D277-N282 PolarHBondContact O-ND2 2.96Å; H279-N282 PolarHBondContact CD2-ND2 3.39Å; H279-N282 PolarHBondContact NE2-ND2 2.93Å; H279-N282 VanDerWaalsContact NE2-ND2 3.16Å; H279-N282 PolarHBondContact O-N 3.47Å; A280-N282 VanDerWaalsContact C-N 3.31Å; N282-V292 WeakPolarHBondContact O-CG2 3.23Å; N282-V292 PolarHBondContact O-N 3.12Å
283I96.5Very high95.1Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-124.5118.8176.2-51.7176.4000108.9F190 V201 A280 G281 P289 F291 L309F190-I283 HydrophobicContact CB-CB 3.72Å; F190-I283 HydrophobicContact CB-CG2 3.71Å; F190-I283 WeakPolarHBondContact CB-O 3.39Å; F190-I283 HydrophobicContact CD1-CB 4.34Å; F190-I283 HydrophobicContact CD1-CD1 4.14Å; F190-I283 HydrophobicContact CE1-CD1 4.47Å; F190-I283 HydrophobicContact CG-CB 4.19Å; F190-I283 HydrophobicContact CG-CG2 4.07Å; F190-I283 PolarHBondContact N-O 3.13Å; F190-I283 VanDerWaalsContact N-O 3.1Å; V201-I283 HydrophobicContact CG1-CD1 3.83Å; V201-I283 HydrophobicContact CG2-CD1 4.19Å; V201-I283 HydrophobicContact CG2-CG2 4.18Å; A280-I283 PolarHBondContact O-N 3.28Å; G281-I283 VanDerWaalsContact C-N 3.33Å; I283-P289 HydrophobicContact CG2-CB 3.91Å; I283-F291 HydrophobicContact CD1-CD1 4.37Å; I283-F291 HydrophobicContact CD1-CE1 4.03Å; I283-F291 HydrophobicContact CG1-CD1 4.09Å; I283-F291 HydrophobicContact CG1-CE1 4.24Å; I283-L309 HydrophobicContact CD1-CD2 3.67Å
284L95.8Very high95Very high37 Ų3735.9 Ų35.919%0.19419%0.189CC..EExtended strand (participates in β ladder)trans-94.5145.9170.8-58.5179.3000109.9V185 R188 P289 M290 V292V185-L284 HydrophobicContact CG2-CD1 4.13Å; R188-L284 CarbonylContact O-C 3.52Å; R188-L284 VanDerWaalsContact O-CA 3.31Å; R188-L284 WeakPolarHBondContact O-CA 3.27Å; L284-P289 CarbonylContact O-C 3.5Å; L284-M290 HydrophobicContact CB-CB 4.31Å; L284-M290 PolarHBondContact N-O 3.44Å; L284-M290 PolarHBondContact O-N 2.72Å; L284-V292 HydrophobicContact CD1-CG1 4Å; L284-V292 HydrophobicContact CG-CG1 4.29Å; L284-V292 HydrophobicContact CG-CG2 4.49Å
285W94.5Very high94.8Very high48 Ų4836 Ų3618%0.18219%0.19CC..EExtended strand (participates in β ladder)trans-121.6131.4-178.4-167.7-90.2000112.3G187 R188 F190 Q197 A200 V201 P289G187-W285 CarbonylContact C-O 3.48Å; G187-W285 WeakPolarHBondContact CA-O 3.46Å; R188-W285 PolarHBondContact N-O 2.74Å; R188-W285 PolarHBondContact O-N 3.05Å; F190-W285 HydrophobicContact CD2-CE3 4.13Å; Q197-W285 VanDerWaalsContact CA-CH2 3.48Å; Q197-W285 HydrophobicContact CB-CD2 4.29Å; Q197-W285 HydrophobicContact CB-CE3 3.92Å; Q197-W285 HydrophobicContact CB-CH2 3.72Å; Q197-W285 HydrophobicContact CB-CZ2 4.1Å; Q197-W285 HydrophobicContact CB-CZ3 3.61Å; Q197-W285 HydrophobicContact CG-CD2 3.82Å; Q197-W285 HydrophobicContact CG-CE3 3.98Å; Q197-W285 HydrophobicContact CG-CH2 3.75Å; Q197-W285 HydrophobicContact CG-CZ2 3.57Å; Q197-W285 HydrophobicContact CG-CZ3 3.94Å; A200-W285 HydrophobicContact CB-CH2 3.68Å; A200-W285 HydrophobicContact CB-CZ3 4.11Å; V201-W285 HydrophobicContact CG2-CZ3 4.43Å; W285-P289 HydrophobicContact CE3-CB 4.18Å; W285-P289 HydrophobicContact CZ3-CB 3.99Å; W285-P289 HydrophobicContact CZ3-CG 4.26Å
286R89.8Confident94.7Very high183 Ų18337.7 Ų37.769%0.69120%0.199SC*.SBendtrans-141.3-81.7170.1-164.6-177.995.8104.73.7112.3G288R286-G288 PolarHBondContact N-O 3.5Å
287D88.5Confident94.7Very high135 Ų13537.5 Ų37.572%0.72220%0.197SC*.SBendtrans-109.923.3174.3-52.9-51.6000110.7
288G94Very high94.8Very high19 Ų1936.1 Ų36.120%0.19619%0.19CC..SBendtrans146.7170.6-166.500000110.5R286R286-G288 PolarHBondContact N-O 3.5Å
289P96.5Very high94.9Very high5 Ų536.3 Ų36.33%0.03219%0.191CC..EExtended strand (participates in β ladder)trans-73.5150.2179.231.3-34.3000110.8P159 V201 Y204 I283 L284 W285 F291P159-P289 WeakPolarHBondContact CB-O 3.37Å; P159-P289 WeakPolarHBondContact CG-O 3.22Å; V201-P289 HydrophobicContact CG2-CB 3.75Å; V201-P289 HydrophobicContact CG2-CG 4.27Å; Y204-P289 HydrophobicContact CD2-CG 3.4Å; Y204-P289 VanDerWaalsContact CD2-CG 3.4Å; Y204-P289 HydrophobicContact CE2-CG 4.01Å; Y204-P289 HydrophobicContact CG-CG 4.21Å; I283-P289 HydrophobicContact CG2-CB 3.91Å; L284-P289 CarbonylContact O-C 3.5Å; W285-P289 HydrophobicContact CE3-CB 4.18Å; W285-P289 HydrophobicContact CZ3-CB 3.99Å; W285-P289 HydrophobicContact CZ3-CG 4.26Å; P289-F291 HydrophobicContact CB-CE2 4.29Å; P289-F291 HydrophobicContact CG-CE2 4.33Å
290M97Very high95Very high57 Ų5733.7 Ų33.728%0.28118%0.179SC..EExtended strand (participates in β ladder)trans-135.5110.8170.9179.7160.3-7800108.6P159 V185 L284P159-M290 WeakPolarHBondContact O-CA 3.38Å; V185-M290 HydrophobicContact CB-CG 4.48Å; V185-M290 HydrophobicContact CB-SD 3.31Å; V185-M290 WeakPolarHBondContact CB-SD 3.41Å; V185-M290 HydrophobicContact CG1-CE 4.24Å; V185-M290 HydrophobicContact CG1-SD 3.33Å; V185-M290 WeakPolarHBondContact CG1-SD 3.48Å; V185-M290 HydrophobicContact CG2-CG 4.49Å; V185-M290 HydrophobicContact CG2-SD 3.91Å; L284-M290 HydrophobicContact CB-CB 4.31Å; L284-M290 PolarHBondContact N-O 3.44Å; L284-M290 PolarHBondContact O-N 2.72Å
291F97.2Very high95.3Very high1 Ų132.7 Ų32.70%0.00417%0.17CC..EExtended strand (participates in β ladder)trans-79.5132.6-178.5-59.2-92.1000109.4P159 V160 V201 L205 M208 I283 P289P159-F291 HydrophobicContact CG-CD2 4.23Å; P159-F291 HydrophobicContact CG-CE2 4.3Å; P159-F291 PolarHBondContact O-N 2.77Å; V160-F291 HydrophobicContact CG1-CB 3.86Å; V201-F291 HydrophobicContact CG1-CE1 4.23Å; V201-F291 HydrophobicContact CG1-CZ 4.18Å; L205-F291 HydrophobicContact CD2-CE1 3.81Å; L205-F291 HydrophobicContact CD2-CZ 4.17Å; L205-F291 HydrophobicContact CG-CE1 4.1Å; L205-F291 HydrophobicContact CG-CZ 4.11Å; M208-F291 HydrophobicContact CE-CB 4.09Å; M208-F291 HydrophobicContact CE-CD1 4.02Å; M208-F291 HydrophobicContact CE-CD2 3.93Å; M208-F291 HydrophobicContact CE-CE1 4.45Å; M208-F291 HydrophobicContact CE-CE2 4.39Å; M208-F291 HydrophobicContact CE-CG 3.74Å; I283-F291 HydrophobicContact CD1-CD1 4.37Å; I283-F291 HydrophobicContact CD1-CE1 4.03Å; I283-F291 HydrophobicContact CG1-CD1 4.09Å; I283-F291 HydrophobicContact CG1-CE1 4.24Å; P289-F291 HydrophobicContact CB-CE2 4.29Å; P289-F291 HydrophobicContact CG-CE2 4.33Å
292V94.4Very high95.5Very high33 Ų3331 Ų3120%0.215%0.153CC..  trans-128.3160.6179-62.60000109.4V185 H275 N282 L284V185-V292 HydrophobicContact CG2-CG1 3.87Å; H275-V292 PolarHBondContact CE1-O 3.14Å; H275-V292 VanDerWaalsContact CE1-O 3.27Å; H275-V292 PolarHBondContact NE2-O 3.27Å; N282-V292 WeakPolarHBondContact O-CG2 3.23Å; N282-V292 PolarHBondContact O-N 3.12Å; L284-V292 HydrophobicContact CD1-CG1 4Å; L284-V292 HydrophobicContact CG-CG1 4.29Å; L284-V292 HydrophobicContact CG-CG2 4.49Å
293D91.4Very high95.7Very high62 Ų6230.3 Ų30.333%0.33215%0.149SC..  trans6865.5174.6-154.97.4000115.8H275 D295H275-D293 PolarHBondContact CE1-O 3.28Å; D293-D295 PolarHBondContact O-N 3.3Å; D293-D295 VanDerWaalsContact OD1-CB 3.24Å; D293-D295 WeakPolarHBondContact OD1-CB 3.26Å; D293-D295 PolarHBondContact OD1-N 3.2Å
294L96.4Very high95.8Very high11 Ų1130.7 Ų30.76%0.05815%0.151CC..G310 helixtrans-77.818.8170-66.4173.5000113.3E146 A150 L153 V160 H275 D296 A297E146-L294 HydrophobicContact CG-CB 3.96Å; A150-L294 HydrophobicContact CB-CD1 3.86Å; L153-L294 HydrophobicContact CD1-CD1 4.25Å; V160-L294 HydrophobicContact CG1-CD1 4.49Å; H275-L294 HydrophobicContact CB-CD2 4.16Å; L294-D296 PolarHBondContact O-N 3.27Å; L294-A297 HydrophobicContact CB-CB 4.11Å; L294-A297 HydrophobicContact CD2-CB 4.38Å; L294-A297 WeakPolarHBondContact O-CB 3.48Å; L294-A297 PolarHBondContact O-N 3.37Å
295D93.9Very high95.9Very high4 Ų428.9 Ų28.92%0.02114%0.142CC..G310 helixtrans-61-30.2-178.1-92.6-40.3000113.9N115 K131 R137 W138 R220 D293N115-D295 PolarHBondContact ND2-OD1 3.13Å; N115-D295 PolarHBondContact ND2-OD2 2.98Å; K131-D295 WeakPolarHBondContact CE-OD1 3.42Å; K131-D295 WeakPolarHBondContact CE-OD2 3.35Å; K131-D295 IonicContact NZ-OD1 2.92Å; K131-D295 PolarHBondContact NZ-OD1 2.88Å; K131-D295 IonicContact NZ-OD2 3.96Å; K131-D295 PolarHBondContact NZ-OD2 3.17Å; R137-D295 IonicContact NH1-OD1 3.41Å; R137-D295 IonicContact NH1-OD2 2.67Å; W138-D295 PolarHBondContact NE1-O 3.06Å; R220-D295 PolarHBondContact NH1-O 2.81Å; D293-D295 PolarHBondContact O-N 3.3Å; D293-D295 VanDerWaalsContact OD1-CB 3.24Å; D293-D295 WeakPolarHBondContact OD1-CB 3.26Å; D293-D295 PolarHBondContact OD1-N 3.2Å
296D95.6Very high96.1Very high34 Ų3426.6 Ų26.618%0.18213%0.133CC..G310 helixtrans-103.314.1178.8-70.7-60.2000112.3R137 H275 D277 L294 R298R137-D296 IonicContact CZ-OD1 3.45Å; R137-D296 IonicContact NH2-OD1 3.41Å; R137-D296 PolarHBondContact NH2-OD1 2.89Å; R137-D296 IonicContact NH2-OD2 3.59Å; R137-D296 PolarHBondContact NH2-OD2 2.95Å; H275-D296 CarbonylContact O-C 3.44Å; D277-D296 HydrophobicContact CB-CB 4.08Å; L294-D296 PolarHBondContact O-N 3.27Å; D296-R298 WeakPolarHBondContact O-CD 3.3Å; D296-R298 VanDerWaalsContact O-CG 3.29Å; D296-R298 WeakPolarHBondContact O-CG 3.31Å; D296-R298 PolarHBondContact O-N 3.39Å
297A98.3Very high96.5Very high0 Ų018.5 Ų18.50%010%0.103CC..  trans-57.8130.517200000110.5F217 R220 L274 H275 L294F217-A297 HydrophobicContact CE2-CB 4.3Å; F217-A297 HydrophobicContact CZ-CB 4.23Å; R220-A297 WeakPolarHBondContact CD-O 3.47Å; L274-A297 VanDerWaalsContact O-CA 3.3Å; L274-A297 WeakPolarHBondContact O-CA 3.42Å; L274-A297 WeakPolarHBondContact O-CB 3.29Å; H275-A297 WeakPolarHBondContact O-CA 3.48Å; H275-A297 PolarHBondContact O-N 3.25Å; L294-A297 HydrophobicContact CB-CB 4.11Å; L294-A297 HydrophobicContact CD2-CB 4.38Å; L294-A297 WeakPolarHBondContact O-CB 3.48Å; L294-A297 PolarHBondContact O-N 3.37Å
298R98.3Very high96.8Very high1 Ų112.9 Ų12.90%0.0047%0.072CC..EExtended strand (participates in β ladder)trans-164.1173.9-169.365-169-56.2154.25.7110.9P221 I223 E227 Y228 L274 D296P221-R298 VanDerWaalsContact CB-NH2 3.33Å; P221-R298 WeakPolarHBondContact O-CB 3.49Å; I223-R298 HydrophobicContact CD1-CG 4.33Å; I223-R298 HydrophobicContact CG1-CG 4Å; E227-R298 IonicContact OE1-CZ 2.73Å; E227-R298 IonicContact OE1-NH1 2.79Å; E227-R298 PolarHBondContact OE1-NH1 3.41Å; E227-R298 IonicContact OE1-NH2 3.44Å; E227-R298 PolarHBondContact OE1-NH2 3.21Å; E227-R298 IonicContact OE2-CZ 3.76Å; E227-R298 IonicContact OE2-NH1 3.78Å; E227-R298 IonicContact OE2-NH2 3.62Å; E227-R298 PolarHBondContact OE2-NH2 2.86Å; Y228-R298 VanDerWaalsContact CE2-CZ 3.46Å; Y228-R298 VanDerWaalsContact OH-CD 3.28Å; Y228-R298 WeakPolarHBondContact OH-CD 3.34Å; Y228-R298 PolarHBondContact OH-NE 2.91Å; Y228-R298 PolarHBondContact OH-NH1 2.89Å; L274-R298 WeakPolarHBondContact CB-O 3.1Å; L274-R298 PolarHBondContact N-O 3.48Å; L274-R298 PolarHBondContact O-N 2.96Å; D296-R298 WeakPolarHBondContact O-CD 3.3Å; D296-R298 VanDerWaalsContact O-CG 3.29Å; D296-R298 WeakPolarHBondContact O-CG 3.31Å; D296-R298 PolarHBondContact O-N 3.39Å
299N98.8Very high96.9Very high5 Ų512.1 Ų12.13%0.0276%0.063CC..EExtended strand (participates in β ladder)trans-83.6146.5175.9-65.7-38.8000110.9F217 P221 T222 I223 V271 L272F217-N299 WeakPolarHBondContact CD2-OD1 3.47Å; F217-N299 PolarHBondContact N-OD1 2.89Å; F217-N299 PolarHBondContact O-ND2 2.9Å; P221-N299 PolarHBondContact O-N 2.69Å; T222-N299 CarbonylContact C-O 3.52Å; T222-N299 WeakPolarHBondContact CA-O 3.35Å; T222-N299 HydrophobicContact CG2-CB 3.94Å; T222-N299 WeakPolarHBondContact OG1-CB 3.34Å; I223-N299 PolarHBondContact N-O 3.33Å; V271-N299 HydrophobicContact CG1-CB 3.68Å; L272-N299 CarbonylContact O-C 3.56Å; L272-N299 VanDerWaalsContact O-CA 3.26Å; L272-N299 WeakPolarHBondContact O-CA 3.13Å
300G98.3Very high96.8Very high0 Ų012.8 Ų12.80%07%0.067CC..EExtended strand (participates in β ladder)trans173.6-168.217400000114.3L272 L274L272-G300 PolarHBondContact N-O 3.17Å; L272-G300 PolarHBondContact O-N 2.78Å; L274-G300 VanDerWaalsContact CD1-CA 3.44Å
301P98.2Very high96.4Very high0 Ų012.8 Ų12.80%07%0.068CC..  trans-74.1144.9176.231.8-34.3000110.8F269 L274 V303 Q304 L341 L345F269-P301 HydrophobicContact CB-CB 4.36Å; F269-P301 HydrophobicContact CD1-CB 4.18Å; F269-P301 HydrophobicContact CD2-CB 3.63Å; F269-P301 HydrophobicContact CD2-CG 4.44Å; F269-P301 HydrophobicContact CE1-CB 4.35Å; F269-P301 HydrophobicContact CE1-CG 4.43Å; F269-P301 HydrophobicContact CE2-CB 3.85Å; F269-P301 HydrophobicContact CE2-CG 4.18Å; F269-P301 HydrophobicContact CG-CB 3.81Å; F269-P301 HydrophobicContact CZ-CB 4.22Å; F269-P301 HydrophobicContact CZ-CG 4.18Å; L274-P301 WeakPolarHBondContact CD2-O 3.36Å; P301-V303 HydrophobicContact CB-CG1 4.17Å; P301-V303 HydrophobicContact CG-CG1 4.27Å; P301-V303 PolarHBondContact O-N 3.16Å; P301-Q304 VanDerWaalsContact O-CB 3.31Å; P301-Q304 WeakPolarHBondContact O-CB 3.44Å; P301-Q304 PolarHBondContact O-N 3.36Å; P301-Q304 VanDerWaalsContact O-N 3.15Å; P301-L341 HydrophobicContact CB-CD1 3.78Å; P301-L341 HydrophobicContact CG-CD1 4Å; P301-L345 HydrophobicContact CG-CD1 4.06Å; P301-L345 HydrophobicContact CG-CD2 4.47Å
302A98.5Very high95.9Very high1 Ų114.7 Ų14.71%0.0089%0.088CC..THydrogen-bonded Turntrans-54-43.2-179.500000111.7H209 L272 Q304 D305 L306 F334 E338H209-A302 PolarHBondContact CE1-O 3.49Å; L272-A302 HydrophobicContact CD2-CB 3.93Å; A302-Q304 PolarHBondContact O-N 3.31Å; A302-D305 PolarHBondContact O-N 3.16Å; A302-D305 VanDerWaalsContact O-N 3.09Å; A302-L306 VanDerWaalsContact O-CD1 3.22Å; A302-L306 WeakPolarHBondContact O-CD1 3.26Å; A302-F334 HydrophobicContact CB-CD2 4.27Å; A302-F334 HydrophobicContact CB-CE2 4.18Å; A302-E338 WeakPolarHBondContact CA-OE2 3.5Å; A302-E338 WeakPolarHBondContact CB-OE2 3.4Å; A302-E338 PolarHBondContact N-OE2 2.78Å
303V98.1Very high95.5Very high0 Ų016.7 Ų16.70%010%0.097CC..THydrogen-bonded Turntrans-54.1-24.3-176.874.60000113.5P301 D305 L306 W307 F334 E338 L341 I342 L345P301-V303 HydrophobicContact CB-CG1 4.17Å; P301-V303 HydrophobicContact CG-CG1 4.27Å; P301-V303 PolarHBondContact O-N 3.16Å; V303-D305 VanDerWaalsContact C-N 3.25Å; V303-D305 PolarHBondContact O-N 3.29Å; V303-L306 PolarHBondContact O-N 3Å; V303-W307 PolarHBondContact O-N 3.04Å; V303-F334 HydrophobicContact CB-CE2 4.14Å; V303-F334 HydrophobicContact CB-CZ 4.02Å; V303-F334 HydrophobicContact CG2-CZ 4.07Å; V303-E338 HydrophobicContact CB-CB 3.87Å; V303-E338 HydrophobicContact CG1-CB 3.94Å; V303-E338 WeakPolarHBondContact CG1-O 3.39Å; V303-E338 PolarHBondContact N-OE2 3.5Å; V303-L341 HydrophobicContact CG1-CB 4.01Å; V303-L341 HydrophobicContact CG1-CD1 4.5Å; V303-I342 HydrophobicContact CG2-CD1 4.19Å; V303-I342 HydrophobicContact CG2-CG1 3.69Å; V303-L345 HydrophobicContact CG1-CD1 3.64Å
304Q98.5Very high95.1Very high8 Ų819.1 Ų19.14%0.03711%0.105CC..Hα-helixtrans-51.4-45.8176.3173.9626.800111.6I223 L274 G276 P301 A302 L306 W307 M308 L345I223-Q304 HydrophobicContact CD1-CB 4.19Å; I223-Q304 HydrophobicContact CD1-CG 3.63Å; L274-Q304 HydrophobicContact CD1-CB 3.76Å; L274-Q304 HydrophobicContact CD1-CG 3.96Å; G276-Q304 PolarHBondContact O-NE2 3.26Å; P301-Q304 VanDerWaalsContact O-CB 3.31Å; P301-Q304 WeakPolarHBondContact O-CB 3.44Å; P301-Q304 PolarHBondContact O-N 3.36Å; P301-Q304 VanDerWaalsContact O-N 3.15Å; A302-Q304 PolarHBondContact O-N 3.31Å; Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 PolarHBondContact O-N 3.42Å; Q304-W307 PolarHBondContact O-NE1 3.46Å; Q304-M308 HydrophobicContact CG-CE 4.18Å; Q304-M308 WeakPolarHBondContact O-CE 3.43Å; Q304-L345 HydrophobicContact CB-CD1 4.27Å
305D98.6Very high94.3Very high0 Ų019.2 Ų19.20%011%0.107CC..Hα-helixtrans-82.2-5-177.1-71.5-20.4000113.6L205 H209 L274 H275 G276 C278 A302 V303L205-D305 WeakPolarHBondContact CD1-O 3.17Å; L205-D305 HydrophobicContact CD2-CB 4.09Å; H209-D305 IonicContact NE2-OD2 3.37Å; H209-D305 PolarHBondContact NE2-OD2 3.09Å; H209-D305 VanDerWaalsContact NE2-OD2 3.12Å; L274-D305 WeakPolarHBondContact CA-OD2 3.37Å; L274-D305 WeakPolarHBondContact CB-OD2 3.47Å; H275-D305 WeakPolarHBondContact CB-OD2 3.4Å; H275-D305 PolarHBondContact N-OD2 3.14Å; G276-D305 PolarHBondContact N-OD1 2.99Å; C278-D305 HydrophobicContact CB-CB 3.84Å; A302-D305 PolarHBondContact O-N 3.16Å; A302-D305 VanDerWaalsContact O-N 3.09Å; V303-D305 VanDerWaalsContact C-N 3.25Å; V303-D305 PolarHBondContact O-N 3.29Å
306L97.9Very high93.7Very high0 Ų023.5 Ų23.50%013%0.127CC..Hα-helixtrans-101.6-46.4-177.8-75.467.1000111.2L205 A302 V303 Q304 M308 L309 I324 I325 Y328 F334L205-L306 HydrophobicContact CD1-CD1 4.37Å; L205-L306 HydrophobicContact CD1-CG 4.5Å; A302-L306 VanDerWaalsContact O-CD1 3.22Å; A302-L306 WeakPolarHBondContact O-CD1 3.26Å; V303-L306 PolarHBondContact O-N 3Å; Q304-L306 VanDerWaalsContact C-N 3.27Å; Q304-L306 PolarHBondContact O-N 3.42Å; L306-M308 PolarHBondContact O-N 3.3Å; L306-M308 VanDerWaalsContact O-N 3.17Å; L306-L309 WeakPolarHBondContact O-CB 3.33Å; L306-L309 PolarHBondContact O-N 2.88Å; L306-L309 VanDerWaalsContact O-N 3.12Å; L306-I324 HydrophobicContact CB-CG2 4.46Å; L306-I324 HydrophobicContact CD2-CG2 3.97Å; L306-I324 HydrophobicContact CG-CG2 3.9Å; L306-I325 HydrophobicContact CD2-CG1 4.35Å; L306-Y328 HydrophobicContact CD1-CD2 4.49Å; L306-Y328 HydrophobicContact CD1-CE2 4.35Å; L306-F334 HydrophobicContact CD2-CD2 3.95Å; L306-F334 HydrophobicContact CD2-CE2 3.67Å; L306-F334 HydrophobicContact CD2-CZ 4.19Å
307W97.3Very high93.4Very high13 Ų1323.7 Ų23.75%0.04913%0.127CC..Hα-helixtrans-65-27-170.477.4-102.8000113.2V303 Q304 L309 L310 I342 L345 R346 R349V303-W307 PolarHBondContact O-N 3.04Å; Q304-W307 PolarHBondContact O-NE1 3.46Å; W307-L309 PolarHBondContact O-N 3.4Å; W307-L310 WeakPolarHBondContact O-CB 3.4Å; W307-L310 WeakPolarHBondContact O-CG 3.36Å; W307-L310 PolarHBondContact O-N 3.03Å; W307-I342 HydrophobicContact CB-CB 4.34Å; W307-I342 HydrophobicContact CB-CD1 4.12Å; W307-I342 HydrophobicContact CB-CG1 3.78Å; W307-I342 HydrophobicContact CB-CG2 3.97Å; W307-I342 HydrophobicContact CG-CG2 4.39Å; W307-L345 HydrophobicContact CZ2-CB 4.39Å; W307-R346 HydrophobicContact CH2-CB 3.98Å; W307-R346 HydrophobicContact CH2-CG 4.15Å; W307-R346 HydrophobicContact CZ3-CB 4.03Å; W307-R346 HydrophobicContact CZ3-CG 4.05Å; W307-R349 HydrophobicContact CH2-CB 4.38Å; W307-R349 HydrophobicContact CZ2-CB 4.42Å
308M95.9Very high92.8Very high16 Ų1626.7 Ų26.78%0.07914%0.138CC..THydrogen-bonded Turntrans-70.9-11.9180-69.9-172-86.300113.8C278 H279 Q304 L306 R349C278-M308 HydrophobicContact CB-CE 4.36Å; C278-M308 WeakPolarHBondContact O-CB 3.46Å; H279-M308 HydrophobicContact CB-CB 4.26Å; Q304-M308 HydrophobicContact CG-CE 4.18Å; Q304-M308 WeakPolarHBondContact O-CE 3.43Å; L306-M308 PolarHBondContact O-N 3.3Å; L306-M308 VanDerWaalsContact O-N 3.17Å; M308-R349 PolarHBondContact SD-NH1 3.49Å
309L95.8Very high92.2Very high3 Ų331.3 Ų31.32%0.01616%0.161CC..THydrogen-bonded Turntrans-85.2-23.2174.1-56.7174.9000112.2F190 M198 V201 L205 I283 L306 W307 N311 I324F190-L309 HydrophobicContact CE1-CD2 4.09Å; M198-L309 HydrophobicContact CE-CB 4.34Å; M198-L309 HydrophobicContact SD-CB 4.03Å; M198-L309 HydrophobicContact SD-CD1 4.22Å; V201-L309 HydrophobicContact CG1-CD1 3.62Å; V201-L309 HydrophobicContact CG1-CD2 4.47Å; L205-L309 HydrophobicContact CD1-CD1 3.82Å; I283-L309 HydrophobicContact CD1-CD2 3.67Å; L306-L309 WeakPolarHBondContact O-CB 3.33Å; L306-L309 PolarHBondContact O-N 2.88Å; L306-L309 VanDerWaalsContact O-N 3.12Å; W307-L309 PolarHBondContact O-N 3.4Å; L309-N311 PolarHBondContact O-ND2 3.33Å; L309-I324 HydrophobicContact CB-CD1 4.14Å; L309-I324 HydrophobicContact CD1-CD1 4.14Å
310L93.9Very high91.7Very high20 Ų2032.2 Ų32.211%0.10517%0.166CC..  trans-69.4135.6-174.9-53.1-179.2000110.9W307 Q317 Q320 L321 I324 I342 L398W307-L310 WeakPolarHBondContact O-CB 3.4Å; W307-L310 WeakPolarHBondContact O-CG 3.36Å; W307-L310 PolarHBondContact O-N 3.03Å; L310-Q317 HydrophobicContact CB-CB 4.36Å; L310-Q317 HydrophobicContact CB-CG 4.08Å; L310-Q320 HydrophobicContact CD2-CB 3.8Å; L310-L321 HydrophobicContact CD1-CB 4.29Å; L310-L321 HydrophobicContact CD1-CD1 4.4Å; L310-L321 HydrophobicContact CD2-CB 3.9Å; L310-L321 HydrophobicContact CD2-CD1 4.46Å; L310-I324 HydrophobicContact CD2-CD1 3.89Å; L310-I342 HydrophobicContact CD1-CD1 4.25Å; L310-L398 HydrophobicContact CD1-CD2 4.34Å
311N89.2Confident91.4Very high56 Ų5632.2 Ų32.230%0.29917%0.166SC..  trans-147.1170.7179.86688.3000110.3A192 L309 Q317 Q320A192-N311 WeakPolarHBondContact CB-ND2 3.32Å; A192-N311 PolarHBondContact O-ND2 3.4Å; A192-N311 VanDerWaalsContact O-ND2 3.15Å; L309-N311 PolarHBondContact O-ND2 3.33Å; N311-Q317 VanDerWaalsContact O-CG 3.3Å; N311-Q317 WeakPolarHBondContact O-CG 3.42Å; N311-Q320 PolarHBondContact ND2-NE2 3.08Å; N311-Q320 VanDerWaalsContact ND2-NE2 3.13Å; N311-Q320 PolarHBondContact ND2-OE1 3.47Å; N311-Q320 PolarHBondContact O-OE1 3.16Å; N311-Q320 VanDerWaalsContact O-OE1 3.1Å; N311-Q320 PolarHBondContact OD1-NE2 3.43Å
312G87.1Confident90.9Very high42 Ų4235.1 Ų35.143%0.43318%0.179SC..SBendtrans79.7-164.5-17600000113.2E316 Q317G312-E316 WeakPolarHBondContact CA-OE2 3.5Å; G312-Q317 PolarHBondContact O-NE2 3.46Å
313D84.5Confident90.3Very high74 Ų7436.3 Ų36.340%0.39619%0.186SC..SBendtrans-77.6179.5179.377.224.3000113.3A315 E316 Q317D313-A315 PolarHBondContact O-N 2.89Å; D313-A315 WeakPolarHBondContact OD1-CA 3.48Å; D313-A315 WeakPolarHBondContact OD1-CB 3.32Å; D313-A315 PolarHBondContact OD1-N 2.68Å; D313-E316 PolarHBondContact N-OE2 3.45Å; D313-E316 PolarHBondContact O-N 2.92Å; D313-E316 PolarHBondContact OD1-N 2.6Å; D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 WeakPolarHBondContact O-CG 3.49Å; D313-Q317 PolarHBondContact O-N 2.92Å
314K84.1Confident90.2Very high113 Ų11336.3 Ų36.349%0.49119%0.186SC..Hα-helixtrans-63.3-26.4-177.2-70.5-169.8179.4-175.50113.5R318 E395K314-R318 WeakPolarHBondContact O-CB 3.36Å; K314-R318 PolarHBondContact O-N 2.84Å; K314-E395 IonicContact NZ-OE2 2.93Å; K314-E395 PolarHBondContact NZ-OE2 2.99Å
315A78.5Confident89.9Confident13 Ų1336.3 Ų36.311%0.10719%0.186CC..Hα-helixtrans-78.6-44.9177.700000110.6D313 R318 M319 D578D313-A315 PolarHBondContact O-N 2.89Å; D313-A315 WeakPolarHBondContact OD1-CA 3.48Å; D313-A315 WeakPolarHBondContact OD1-CB 3.32Å; D313-A315 PolarHBondContact OD1-N 2.68Å; A315-R318 WeakPolarHBondContact O-CB 3.12Å; A315-R318 PolarHBondContact O-N 2.96Å; A315-M319 PolarHBondContact O-N 2.99Å; A315-D578 HydrophobicContact CB-CB 4.07Å
316E81.4Confident89.4Confident94 Ų9443.4 Ų43.444%0.43922%0.219SC..Hα-helixtrans-59.5-48.3173.9-66.3175.2119.900111.2G312 D313 R318 M319 Q320G312-E316 WeakPolarHBondContact CA-OE2 3.5Å; D313-E316 PolarHBondContact N-OE2 3.45Å; D313-E316 PolarHBondContact O-N 2.92Å; D313-E316 PolarHBondContact OD1-N 2.6Å; E316-R318 VanDerWaalsContact C-N 3.28Å; E316-R318 PolarHBondContact O-N 3.23Å; E316-M319 PolarHBondContact O-N 3.18Å; E316-Q320 WeakPolarHBondContact O-CB 3.48Å; E316-Q320 VanDerWaalsContact O-CG 3.29Å; E316-Q320 WeakPolarHBondContact O-CG 3.41Å; E316-Q320 PolarHBondContact O-N 2.8Å
317Q89.1Confident89Confident39 Ų3943.5 Ų43.518%0.18222%0.22CC..Hα-helixtrans-60.7-36.4177.4-69.5176.313.200112.6L310 N311 G312 D313 L321 L398L310-Q317 HydrophobicContact CB-CB 4.36Å; L310-Q317 HydrophobicContact CB-CG 4.08Å; N311-Q317 VanDerWaalsContact O-CG 3.3Å; N311-Q317 WeakPolarHBondContact O-CG 3.42Å; G312-Q317 PolarHBondContact O-NE2 3.46Å; D313-Q317 WeakPolarHBondContact O-CB 3.35Å; D313-Q317 WeakPolarHBondContact O-CG 3.49Å; D313-Q317 PolarHBondContact O-N 2.92Å; Q317-L321 WeakPolarHBondContact O-CB 3.27Å; Q317-L321 PolarHBondContact O-N 3.41Å; Q317-L398 HydrophobicContact CB-CD2 4.25Å
318R87.7Confident89Confident62 Ų6242.9 Ų42.923%0.23422%0.218CC..Hα-helixtrans-64.1-51.3175.4-177.5-176.2-58.9107.92.8110.6K314 A315 E316 Q320 L321 E322 L398 Q399 T401K314-R318 WeakPolarHBondContact O-CB 3.36Å; K314-R318 PolarHBondContact O-N 2.84Å; A315-R318 WeakPolarHBondContact O-CB 3.12Å; A315-R318 PolarHBondContact O-N 2.96Å; E316-R318 VanDerWaalsContact C-N 3.28Å; E316-R318 PolarHBondContact O-N 3.23Å; R318-Q320 VanDerWaalsContact C-N 3.33Å; R318-Q320 PolarHBondContact O-N 3.25Å; R318-L321 PolarHBondContact O-N 2.83Å; R318-E322 HydrophobicContact CG-CG 4.48Å; R318-E322 WeakPolarHBondContact CG-OE1 3.49Å; R318-E322 WeakPolarHBondContact O-CG 3.44Å; R318-E322 PolarHBondContact O-N 3.45Å; R318-L398 HydrophobicContact CB-CD1 4.11Å; R318-Q399 WeakPolarHBondContact CD-O 3.41Å; R318-Q399 WeakPolarHBondContact CG-O 3.15Å; R318-Q399 PolarHBondContact NE-O 3.21Å; R318-T401 WeakPolarHBondContact CD-OG1 3.41Å
319M83.7Confident88.9Confident98 Ų9846.5 Ų46.548%0.48324%0.235SC..Hα-helixtrans-59.7-45.3179.8-178.9-178.7173.900111I195 A315 E316 L321 E322 T323I195-M319 HydrophobicContact CD1-CE 3.63Å; A315-M319 PolarHBondContact O-N 2.99Å; E316-M319 PolarHBondContact O-N 3.18Å; M319-L321 PolarHBondContact O-N 3.2Å; M319-E322 PolarHBondContact O-N 2.67Å; M319-T323 PolarHBondContact O-N 3.38Å; M319-T323 PolarHBondContact O-OG1 3.27Å
320Q88.8Confident88.7Confident25 Ų2552 Ų5212%0.11726%0.26CS..Hα-helixtrans-59.2-46.9175.7-72.7171.2-5.300111.5L310 N311 E316 R318 E322 T323 I324L310-Q320 HydrophobicContact CD2-CB 3.8Å; N311-Q320 PolarHBondContact ND2-NE2 3.08Å; N311-Q320 VanDerWaalsContact ND2-NE2 3.13Å; N311-Q320 PolarHBondContact ND2-OE1 3.47Å; N311-Q320 PolarHBondContact O-OE1 3.16Å; N311-Q320 VanDerWaalsContact O-OE1 3.1Å; N311-Q320 PolarHBondContact OD1-NE2 3.43Å; E316-Q320 WeakPolarHBondContact O-CB 3.48Å; E316-Q320 VanDerWaalsContact O-CG 3.29Å; E316-Q320 WeakPolarHBondContact O-CG 3.41Å; E316-Q320 PolarHBondContact O-N 2.8Å; R318-Q320 VanDerWaalsContact C-N 3.33Å; R318-Q320 PolarHBondContact O-N 3.25Å; Q320-E322 VanDerWaalsContact C-N 3.35Å; Q320-E322 PolarHBondContact O-N 2.85Å; Q320-T323 PolarHBondContact O-N 3.16Å; Q320-I324 WeakPolarHBondContact O-CB 3.46Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 WeakPolarHBondContact O-CG1 3.26Å; Q320-I324 PolarHBondContact O-N 3.24Å
321L92.9Very high88.6Confident0 Ų053.7 Ų53.70%027%0.267CS..Hα-helixtrans-63.8-40.4179.7-175.660.2000111.9L310 Q317 R318 M319 I324 I325 I339 I342 L398 L400L310-L321 HydrophobicContact CD1-CB 4.29Å; L310-L321 HydrophobicContact CD1-CD1 4.4Å; L310-L321 HydrophobicContact CD2-CB 3.9Å; L310-L321 HydrophobicContact CD2-CD1 4.46Å; Q317-L321 WeakPolarHBondContact O-CB 3.27Å; Q317-L321 PolarHBondContact O-N 3.41Å; R318-L321 PolarHBondContact O-N 2.83Å; M319-L321 PolarHBondContact O-N 3.2Å; L321-I324 PolarHBondContact O-N 3.39Å; L321-I325 HydrophobicContact CD1-CD1 3.81Å; L321-I325 HydrophobicContact CD1-CG1 4.1Å; L321-I325 HydrophobicContact CD2-CD1 4.42Å; L321-I325 HydrophobicContact CG-CD1 3.73Å; L321-I325 HydrophobicContact CG-CG1 4.39Å; L321-I325 WeakPolarHBondContact O-CB 3.4Å; L321-I325 VanDerWaalsContact O-CG1 3.25Å; L321-I325 WeakPolarHBondContact O-CG1 3.31Å; L321-I325 PolarHBondContact O-N 3.03Å; L321-I339 HydrophobicContact CD2-CD1 3.95Å; L321-I339 HydrophobicContact CD2-CG1 4.11Å; L321-I339 HydrophobicContact CD2-CG2 4.09Å; L321-I342 HydrophobicContact CD2-CD1 4.26Å; L321-L398 HydrophobicContact CD2-CD2 3.77Å; L321-L400 HydrophobicContact CB-CD2 4.42Å; L321-L400 HydrophobicContact CD2-CD2 3.83Å; L321-L400 HydrophobicContact CG-CD2 3.88Å
322E88.3Confident88.9Confident61 Ų6151.5 Ų51.529%0.28526%0.256SS..Hα-helixtrans-60.9-49174.8-73.4169.7-177.600111.4R318 M319 Q320 I324 I325 E326 L400 T401R318-E322 HydrophobicContact CG-CG 4.48Å; R318-E322 WeakPolarHBondContact CG-OE1 3.49Å; R318-E322 WeakPolarHBondContact O-CG 3.44Å; R318-E322 PolarHBondContact O-N 3.45Å; M319-E322 PolarHBondContact O-N 2.67Å; Q320-E322 VanDerWaalsContact C-N 3.35Å; Q320-E322 PolarHBondContact O-N 2.85Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.12Å; E322-I325 PolarHBondContact O-N 2.93Å; E322-E326 WeakPolarHBondContact O-CB 3.34Å; E322-E326 PolarHBondContact O-N 2.81Å; E322-L400 HydrophobicContact CG-CD2 3.87Å; E322-T401 WeakPolarHBondContact OE1-CA 3.35Å; E322-T401 WeakPolarHBondContact OE1-CB 3.34Å; E322-T401 PolarHBondContact OE1-N 3.23Å; E322-T401 PolarHBondContact OE1-OG1 3.34Å
323T85.5Confident89.2Confident25 Ų2557.3 Ų57.315%0.15327%0.272CS..Hα-helixtrans-58.6-45.1175.6-61.80000111.9I195 E199 M319 Q320 A327I195-T323 HydrophobicContact CG2-CG2 4.17Å; E199-T323 HydrophobicContact CB-CG2 4.04Å; E199-T323 HydrophobicContact CG-CG2 4.42Å; M319-T323 PolarHBondContact O-N 3.38Å; M319-T323 PolarHBondContact O-OG1 3.27Å; Q320-T323 PolarHBondContact O-N 3.16Å; T323-A327 WeakPolarHBondContact O-CB 3.42Å; T323-A327 PolarHBondContact O-N 3.15Å
324I94.5Very high89.7Confident0 Ų054 Ų540%025%0.254CS..Hα-helixtrans-62.2-47.7179.3-68.4162.6000110.4M198 L306 L309 L310 Q320 L321 E322 A327 Y328M198-I324 HydrophobicContact CG-CD1 4Å; M198-I324 HydrophobicContact CG-CG1 3.54Å; M198-I324 HydrophobicContact SD-CD1 3.53Å; M198-I324 VanDerWaalsContact SD-CD1 3.53Å; M198-I324 HydrophobicContact SD-CG1 3.66Å; L306-I324 HydrophobicContact CB-CG2 4.46Å; L306-I324 HydrophobicContact CD2-CG2 3.97Å; L306-I324 HydrophobicContact CG-CG2 3.9Å; L309-I324 HydrophobicContact CB-CD1 4.14Å; L309-I324 HydrophobicContact CD1-CD1 4.14Å; L310-I324 HydrophobicContact CD2-CD1 3.89Å; Q320-I324 WeakPolarHBondContact O-CB 3.46Å; Q320-I324 WeakPolarHBondContact O-CD1 3.4Å; Q320-I324 WeakPolarHBondContact O-CG1 3.26Å; Q320-I324 PolarHBondContact O-N 3.24Å; L321-I324 PolarHBondContact O-N 3.39Å; E322-I324 VanDerWaalsContact C-N 3.35Å; E322-I324 PolarHBondContact O-N 3.12Å; I324-A327 PolarHBondContact O-N 3.36Å; I324-Y328 WeakPolarHBondContact O-CB 3.49Å; I324-Y328 PolarHBondContact O-N 2.81Å
325I93.2Very high90.2Very high9 Ų951.7 Ų51.75%0.04625%0.247CC..Hα-helixtrans-65.1-46.3-177.5-71.7170000110.7L306 L321 E322 A327 Y328 E329 F334 I339 L400L306-I325 HydrophobicContact CD2-CG1 4.35Å; L321-I325 HydrophobicContact CD1-CD1 3.81Å; L321-I325 HydrophobicContact CD1-CG1 4.1Å; L321-I325 HydrophobicContact CD2-CD1 4.42Å; L321-I325 HydrophobicContact CG-CD1 3.73Å; L321-I325 HydrophobicContact CG-CG1 4.39Å; L321-I325 WeakPolarHBondContact O-CB 3.4Å; L321-I325 VanDerWaalsContact O-CG1 3.25Å; L321-I325 WeakPolarHBondContact O-CG1 3.31Å; L321-I325 PolarHBondContact O-N 3.03Å; E322-I325 PolarHBondContact O-N 2.93Å; I325-A327 VanDerWaalsContact C-N 3.29Å; I325-A327 PolarHBondContact O-N 2.87Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 PolarHBondContact O-N 2.94Å; I325-Y328 VanDerWaalsContact O-N 3.14Å; I325-E329 HydrophobicContact CG2-CG 4.11Å; I325-E329 WeakPolarHBondContact O-CB 3.38Å; I325-E329 WeakPolarHBondContact O-CG 3.25Å; I325-E329 PolarHBondContact O-N 3.16Å; I325-F334 HydrophobicContact CD1-CD1 3.52Å; I325-F334 HydrophobicContact CD1-CE1 3.49Å; I325-F334 VanDerWaalsContact CD1-CE1 3.49Å; I325-F334 HydrophobicContact CD1-CG 4.43Å; I325-F334 HydrophobicContact CD1-CZ 4.39Å; I325-F334 HydrophobicContact CG1-CD1 3.76Å; I325-F334 HydrophobicContact CG1-CE1 4.03Å; I325-F334 HydrophobicContact CG1-CG 4.2Å; I325-F334 HydrophobicContact CG2-CB 4.21Å; I325-F334 HydrophobicContact CG2-CD1 4.18Å; I325-F334 HydrophobicContact CG2-CG 4.48Å; I325-I339 HydrophobicContact CD1-CD1 4.32Å; I325-L400 HydrophobicContact CD1-CD1 3.86Å; I325-L400 HydrophobicContact CD1-CD2 3.89Å; I325-L400 HydrophobicContact CD1-CG 4.47Å
326E88.5Confident90.9Very high148 Ų14854.8 Ų54.869%0.69227%0.265SS*.Hα-helixtrans-56.1-45.2178.5-176.8173.7-160.800111.3E322E322-E326 WeakPolarHBondContact O-CB 3.34Å; E322-E326 PolarHBondContact O-N 2.81Å
327A88.8Confident91.4Very high2 Ų252.3 Ų52.32%0.01726%0.26CS..Hα-helixtrans-70.9-36.9177.500000113.3E199 R203 T323 I324 I325E199-A327 HydrophobicContact CG-CB 3.64Å; E199-A327 WeakPolarHBondContact O-CB 3.26Å; R203-A327 WeakPolarHBondContact CA-O 3.26Å; R203-A327 HydrophobicContact CB-CB 4.33Å; R203-A327 PolarHBondContact NH1-O 3.21Å; R203-A327 VanDerWaalsContact NH1-O 3.08Å; T323-A327 WeakPolarHBondContact O-CB 3.42Å; T323-A327 PolarHBondContact O-N 3.15Å; I324-A327 PolarHBondContact O-N 3.36Å; I325-A327 VanDerWaalsContact C-N 3.29Å; I325-A327 PolarHBondContact O-N 2.87Å
328Y96.9Very high91.8Very high0 Ų050.7 Ų50.70%025%0.253CS..Hα-helixtrans-62.9-40.8177.5175.5-83.2000111.9G202 L205 G206 H209 R213 L306 I324 I325 E330 F331 S332 F334G202-Y328 VanDerWaalsContact O-CA 3.32Å; G202-Y328 WeakPolarHBondContact O-CA 3.24Å; L205-Y328 HydrophobicContact CB-CD2 4.02Å; L205-Y328 HydrophobicContact CB-CE2 4.36Å; G206-Y328 VanDerWaalsContact CA-CE2 3.41Å; H209-Y328 HydrophobicContact CB-CE2 4.06Å; H209-Y328 VanDerWaalsContact CB-OH 3.26Å; H209-Y328 WeakPolarHBondContact CB-OH 3.22Å; H209-Y328 AromaticContact CG-CE2 3.89Å; H209-Y328 AromaticContact ND1-CE2 3.26Å; H209-Y328 VanDerWaalsContact ND1-CE2 3.26Å; H209-Y328 WeakPolarHBondContact ND1-CE2 3.29Å; H209-Y328 AromaticContact ND1-CZ 3.51Å; H209-Y328 PolarHBondContact ND1-OH 3.28Å; R213-Y328 PolarHBondContact NH1-OH 2.84Å; R213-Y328 PolarHBondContact NH2-OH 3.41Å; L306-Y328 HydrophobicContact CD1-CD2 4.49Å; L306-Y328 HydrophobicContact CD1-CE2 4.35Å; I324-Y328 WeakPolarHBondContact O-CB 3.49Å; I324-Y328 PolarHBondContact O-N 2.81Å; I325-Y328 WeakPolarHBondContact O-CB 3.36Å; I325-Y328 PolarHBondContact O-N 2.94Å; I325-Y328 VanDerWaalsContact O-N 3.14Å; Y328-E330 PolarHBondContact O-N 3.12Å; Y328-F331 PolarHBondContact O-N 3.4Å; Y328-F331 VanDerWaalsContact O-N 3.07Å; Y328-S332 WeakPolarHBondContact CD1-O 2.98Å; Y328-S332 WeakPolarHBondContact CE1-O 3.22Å; Y328-S332 PolarHBondContact O-N 2.94Å; Y328-S332 VanDerWaalsContact O-N 3.09Å; Y328-F334 HydrophobicContact CD1-CB 3.89Å; Y328-F334 HydrophobicContact CE1-CB 3.84Å; Y328-F334 HydrophobicContact CE1-CD2 4.19Å
329E94.1Very high92.2Very high93 Ų9348.1 Ų48.144%0.43524%0.243SC..THydrogen-bonded Turntrans-69-11.4-177.1-72.3-166.8138.100114.9I325 F331 S332 F334I325-E329 HydrophobicContact CG2-CG 4.11Å; I325-E329 WeakPolarHBondContact O-CB 3.38Å; I325-E329 WeakPolarHBondContact O-CG 3.25Å; I325-E329 PolarHBondContact O-N 3.16Å; E329-F331 PolarHBondContact O-N 2.83Å; E329-S332 VanDerWaalsContact CA-O 3.26Å; E329-S332 WeakPolarHBondContact CA-O 3.47Å; E329-F334 HydrophobicContact CG-CB 4.15Å; E329-F334 PolarHBondContact OE1-N 3.14Å
330E91.6Very high92.8Very high118 Ų11844.8 Ų44.855%0.55123%0.234SC*.THydrogen-bonded Turntrans-62.4-26.3167.4-72.7-173.4-146.200113.2R203 Y328R203-E330 VanDerWaalsContact CZ-CD 3.44Å; R203-E330 IonicContact CZ-OE1 2.66Å; R203-E330 IonicContact CZ-OE2 2.69Å; R203-E330 VanDerWaalsContact CZ-OE2 3.31Å; R203-E330 IonicContact NE-OE2 3.58Å; R203-E330 IonicContact NH1-OE1 3.67Å; R203-E330 PolarHBondContact NH1-OE1 3.28Å; R203-E330 IonicContact NH1-OE2 3.49Å; R203-E330 PolarHBondContact NH1-OE2 3.4Å; R203-E330 IonicContact NH2-OE1 2.6Å; R203-E330 PolarHBondContact NH2-OE1 3.09Å; R203-E330 IonicContact NH2-OE2 2.73Å; Y328-E330 PolarHBondContact O-N 3.12Å
331F92.1Very high93.2Very high56 Ų5643.6 Ų43.625%0.24623%0.229CC..THydrogen-bonded Turntrans-118.1-26.3-178-69.4-86.7000113.7R203 G206 R207 Q210 Y328 E329R203-F331 HydrophobicContact CG-CD2 3.86Å; R203-F331 HydrophobicContact CG-CE2 3.43Å; R203-F331 VanDerWaalsContact CG-CE2 3.43Å; G206-F331 VanDerWaalsContact C-CB 3.49Å; R207-F331 HydrophobicContact CB-CB 4.34Å; R207-F331 HydrophobicContact CB-CD1 4.15Å; R207-F331 HydrophobicContact CB-CG 4.09Å; R207-F331 HydrophobicContact CG-CD1 4.22Å; Q210-F331 PolarHBondContact NE2-O 2.86Å; Y328-F331 PolarHBondContact O-N 3.4Å; Y328-F331 VanDerWaalsContact O-N 3.07Å; E329-F331 PolarHBondContact O-N 2.83Å
332S94.7Very high93.4Very high10 Ų1043.8 Ų43.87%0.0723%0.23CC..SBendtrans-151.9130.8-174.7-790000112.2G206 Q210 R213 Y328 E329G206-S332 WeakPolarHBondContact O-CB 3.47Å; G206-S332 PolarHBondContact O-OG 2.97Å; Q210-S332 WeakPolarHBondContact CA-OG 3.26Å; Q210-S332 PolarHBondContact N-OG 3.3Å; R213-S332 PolarHBondContact NH1-OG 3.01Å; Y328-S332 WeakPolarHBondContact CD1-O 2.98Å; Y328-S332 WeakPolarHBondContact CE1-O 3.22Å; Y328-S332 PolarHBondContact O-N 2.94Å; Y328-S332 VanDerWaalsContact O-N 3.09Å; E329-S332 VanDerWaalsContact CA-O 3.26Å; E329-S332 WeakPolarHBondContact CA-O 3.47Å
333E94Very high93.9Very high163 Ų16342.5 Ų42.576%0.76222%0.224SC*.  trans-59.7140.5170.5-172.4177.3-175.500111.5R213R213-E333 PolarHBondContact NH2-O 2.89Å
334F95.8Very high94.5Very high6 Ų641.4 Ų41.43%0.02622%0.217CC..  trans-111.6123.6175.6-176.3-103000111.2A302 V303 L306 I325 Y328 E329 T336 E338 I339A302-F334 HydrophobicContact CB-CD2 4.27Å; A302-F334 HydrophobicContact CB-CE2 4.18Å; V303-F334 HydrophobicContact CB-CE2 4.14Å; V303-F334 HydrophobicContact CB-CZ 4.02Å; V303-F334 HydrophobicContact CG2-CZ 4.07Å; L306-F334 HydrophobicContact CD2-CD2 3.95Å; L306-F334 HydrophobicContact CD2-CE2 3.67Å; L306-F334 HydrophobicContact CD2-CZ 4.19Å; I325-F334 HydrophobicContact CD1-CD1 3.52Å; I325-F334 HydrophobicContact CD1-CE1 3.49Å; I325-F334 VanDerWaalsContact CD1-CE1 3.49Å; I325-F334 HydrophobicContact CD1-CG 4.43Å; I325-F334 HydrophobicContact CD1-CZ 4.39Å; I325-F334 HydrophobicContact CG1-CD1 3.76Å; I325-F334 HydrophobicContact CG1-CE1 4.03Å; I325-F334 HydrophobicContact CG1-CG 4.2Å; I325-F334 HydrophobicContact CG2-CB 4.21Å; I325-F334 HydrophobicContact CG2-CD1 4.18Å; I325-F334 HydrophobicContact CG2-CG 4.48Å; Y328-F334 HydrophobicContact CD1-CB 3.89Å; Y328-F334 HydrophobicContact CE1-CB 3.84Å; Y328-F334 HydrophobicContact CE1-CD2 4.19Å; E329-F334 HydrophobicContact CG-CB 4.15Å; E329-F334 PolarHBondContact OE1-N 3.14Å; F334-T336 HydrophobicContact CD1-CG2 4.45Å; F334-T336 PolarHBondContact O-N 3.4Å; F334-T336 VanDerWaalsContact O-N 3.1Å; F334-E338 HydrophobicContact CZ-CB 4.27Å; F334-I339 HydrophobicContact CE1-CD1 4.27Å; F334-I339 HydrophobicContact CE1-CG1 3.88Å; F334-I339 HydrophobicContact CZ-CG1 4.3Å
335D94.2Very high94.7Very high63 Ų6341.6 Ų41.634%0.33722%0.218SC..  trans-76101.5172.3179.38.4000109.6R266 A337 E338R266-D335 IonicContact NH2-OD2 3.82Å; D335-A337 PolarHBondContact O-N 3.43Å; D335-A337 WeakPolarHBondContact OD1-CB 3.22Å; D335-A337 PolarHBondContact OD1-N 3.17Å; D335-E338 HydrophobicContact CB-CG 4.13Å; D335-E338 VanDerWaalsContact O-CB 3.27Å; D335-E338 WeakPolarHBondContact O-CB 3.34Å; D335-E338 PolarHBondContact O-N 2.91Å
336T92.2Very high94.9Very high79 Ų7943.4 Ų43.449%0.48522%0.224SC..G310 helixtrans-55.2-21.6177.259.50000113.8F334 E338 I339 L400F334-T336 HydrophobicContact CD1-CG2 4.45Å; F334-T336 PolarHBondContact O-N 3.4Å; F334-T336 VanDerWaalsContact O-N 3.1Å; T336-E338 PolarHBondContact O-N 2.86Å; T336-I339 WeakPolarHBondContact O-CB 3.47Å; T336-I339 WeakPolarHBondContact O-CD1 3.31Å; T336-I339 WeakPolarHBondContact O-CG1 2.98Å; T336-I339 PolarHBondContact O-N 3.35Å; T336-I339 VanDerWaalsContact O-N 3.16Å; T336-L400 HydrophobicContact CG2-CD1 3.72Å
337A93.9Very high95.4Very high42 Ų4236.4 Ų36.435%0.34719%0.191SC..G310 helixtrans-72.5-17.1177.200000112R266 D335 I339 G340R266-A337 PolarHBondContact NH1-O 3.2Å; D335-A337 PolarHBondContact O-N 3.43Å; D335-A337 WeakPolarHBondContact OD1-CB 3.22Å; D335-A337 PolarHBondContact OD1-N 3.17Å; A337-I339 PolarHBondContact O-N 3.29Å; A337-G340 PolarHBondContact O-N 3.12Å
338E97Very high95.9Very high4 Ų436.4 Ų36.42%0.01919%0.191CC..G310 helixtrans-66.4-17.9169.5-66.9-171.6-165.900112.9F269 A302 V303 F334 D335 T336 G340 L341F269-E338 HydrophobicContact CB-CG 4.07Å; A302-E338 WeakPolarHBondContact CA-OE2 3.5Å; A302-E338 WeakPolarHBondContact CB-OE2 3.4Å; A302-E338 PolarHBondContact N-OE2 2.78Å; V303-E338 HydrophobicContact CB-CB 3.87Å; V303-E338 HydrophobicContact CG1-CB 3.94Å; V303-E338 WeakPolarHBondContact CG1-O 3.39Å; V303-E338 PolarHBondContact N-OE2 3.5Å; F334-E338 HydrophobicContact CZ-CB 4.27Å; D335-E338 HydrophobicContact CB-CG 4.13Å; D335-E338 VanDerWaalsContact O-CB 3.27Å; D335-E338 WeakPolarHBondContact O-CB 3.34Å; D335-E338 PolarHBondContact O-N 2.91Å; T336-E338 PolarHBondContact O-N 2.86Å; E338-G340 PolarHBondContact O-N 2.9Å; E338-G340 VanDerWaalsContact O-N 3.12Å; E338-L341 HydrophobicContact CB-CD1 4.38Å; E338-L341 HydrophobicContact CG-CD1 4.44Å; E338-L341 VanDerWaalsContact O-CB 3.25Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 3.19Å
339I95.7Very high96Very high8 Ų840 Ų404%0.04121%0.205CC..G310 helixtrans-59.6-28.2176.8-59.9172.3000111.3L321 I325 F334 T336 A337 L341 I342 L398 L400L321-I339 HydrophobicContact CD2-CD1 3.95Å; L321-I339 HydrophobicContact CD2-CG1 4.11Å; L321-I339 HydrophobicContact CD2-CG2 4.09Å; I325-I339 HydrophobicContact CD1-CD1 4.32Å; F334-I339 HydrophobicContact CE1-CD1 4.27Å; F334-I339 HydrophobicContact CE1-CG1 3.88Å; F334-I339 HydrophobicContact CZ-CG1 4.3Å; T336-I339 WeakPolarHBondContact O-CB 3.47Å; T336-I339 WeakPolarHBondContact O-CD1 3.31Å; T336-I339 WeakPolarHBondContact O-CG1 2.98Å; T336-I339 PolarHBondContact O-N 3.35Å; T336-I339 VanDerWaalsContact O-N 3.16Å; A337-I339 PolarHBondContact O-N 3.29Å; I339-L341 PolarHBondContact O-N 2.91Å; I339-L341 VanDerWaalsContact O-N 3.16Å; I339-I342 HydrophobicContact CG2-CD1 3.79Å; I339-I342 WeakPolarHBondContact O-CB 3.41Å; I339-I342 VanDerWaalsContact O-CG1 3.3Å; I339-I342 WeakPolarHBondContact O-CG1 3.31Å; I339-I342 PolarHBondContact O-N 2.73Å; I339-L398 HydrophobicContact CG2-CB 4.05Å; I339-L398 WeakPolarHBondContact CG2-O 3.31Å; I339-L400 HydrophobicContact CD1-CD1 3.78Å; I339-L400 HydrophobicContact CD1-CD2 3.77Å; I339-L400 HydrophobicContact CD1-CG 3.48Å; I339-L400 VanDerWaalsContact CD1-CG 3.48Å
340G95.7Very high96.2Very high28 Ų2837.9 Ų37.929%0.28920%0.196SC..G310 helixtrans-62.3-16.4171.800000114.8A337 E338 P344A337-G340 PolarHBondContact O-N 3.12Å; E338-G340 PolarHBondContact O-N 2.9Å; E338-G340 VanDerWaalsContact O-N 3.12Å; G340-P344 WeakPolarHBondContact O-CD 3.48Å
341L97.9Very high96.5Very high0 Ų032.2 Ų32.20%017%0.17CC..G310 helixtrans-88-8.2178.7-63.4170.2000113.5W265 R266 F269 P301 V303 E338 I339 E343 P344 L345W265-L341 HydrophobicContact CD2-CD2 4.41Å; W265-L341 HydrophobicContact CE3-CD2 3.69Å; W265-L341 HydrophobicContact CZ3-CD2 3.78Å; R266-L341 HydrophobicContact CG-CD1 4.3Å; R266-L341 HydrophobicContact CG-CD2 3.5Å; R266-L341 HydrophobicContact CG-CG 3.99Å; F269-L341 HydrophobicContact CD1-CD1 3.62Å; F269-L341 HydrophobicContact CE1-CD1 4.08Å; F269-L341 HydrophobicContact CG-CD1 4.25Å; P301-L341 HydrophobicContact CB-CD1 3.78Å; P301-L341 HydrophobicContact CG-CD1 4Å; V303-L341 HydrophobicContact CG1-CB 4.01Å; V303-L341 HydrophobicContact CG1-CD1 4.5Å; E338-L341 HydrophobicContact CB-CD1 4.38Å; E338-L341 HydrophobicContact CG-CD1 4.44Å; E338-L341 VanDerWaalsContact O-CB 3.25Å; E338-L341 WeakPolarHBondContact O-CB 3.35Å; E338-L341 PolarHBondContact O-N 3.19Å; I339-L341 PolarHBondContact O-N 2.91Å; I339-L341 VanDerWaalsContact O-N 3.16Å; L341-E343 PolarHBondContact O-N 3.31Å; L341-P344 WeakPolarHBondContact O-CD 3.42Å; L341-L345 HydrophobicContact CB-CD1 3.96Å; L341-L345 HydrophobicContact CB-CG 4.36Å; L341-L345 VanDerWaalsContact O-CB 3.32Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 WeakPolarHBondContact O-CD1 3.39Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 2.85Å
342I97.8Very high96.8Very high4 Ų432.2 Ų32.22%0.02117%0.168CC..Hα-helixtrans-56.2-52.4-177.9-68.6-178.8000111.6V303 W307 L310 L321 I339 L345 R346V303-I342 HydrophobicContact CG2-CD1 4.19Å; V303-I342 HydrophobicContact CG2-CG1 3.69Å; W307-I342 HydrophobicContact CB-CB 4.34Å; W307-I342 HydrophobicContact CB-CD1 4.12Å; W307-I342 HydrophobicContact CB-CG1 3.78Å; W307-I342 HydrophobicContact CB-CG2 3.97Å; W307-I342 HydrophobicContact CG-CG2 4.39Å; L310-I342 HydrophobicContact CD1-CD1 4.25Å; L321-I342 HydrophobicContact CD2-CD1 4.26Å; I339-I342 HydrophobicContact CG2-CD1 3.79Å; I339-I342 WeakPolarHBondContact O-CB 3.41Å; I339-I342 VanDerWaalsContact O-CG1 3.3Å; I339-I342 WeakPolarHBondContact O-CG1 3.31Å; I339-I342 PolarHBondContact O-N 2.73Å; I342-L345 PolarHBondContact O-N 2.97Å; I342-R346 WeakPolarHBondContact O-CB 3.36Å; I342-R346 PolarHBondContact O-N 2.75Å
343E97.8Very high96.9Very high35 Ų3536.6 Ų36.616%0.16418%0.184CC..Hα-helixtrans-69-41.5-179.5-58.3-54.7141.700113.1L341 L345 R346 A347 Q389 V392 L393L341-E343 PolarHBondContact O-N 3.31Å; E343-L345 PolarHBondContact O-N 3Å; E343-R346 PolarHBondContact O-N 3.49Å; E343-R346 IonicContact OE1-CZ 2.82Å; E343-R346 IonicContact OE1-NH1 2.67Å; E343-R346 PolarHBondContact OE1-NH1 2.69Å; E343-R346 IonicContact OE2-CZ 2.88Å; E343-R346 IonicContact OE2-NH1 3.1Å; E343-R346 PolarHBondContact OE2-NH1 2.62Å; E343-A347 WeakPolarHBondContact O-CB 3.39Å; E343-A347 PolarHBondContact O-N 2.81Å; E343-Q389 PolarHBondContact OE2-NE2 3.3Å; E343-V392 HydrophobicContact CG-CG1 3.94Å; E343-V392 WeakPolarHBondContact OE2-CG1 3.4Å; E343-L393 HydrophobicContact CB-CD2 3.61Å; E343-L393 HydrophobicContact CB-CG 4.08Å
344P98.4Very high97.1Very high1 Ų128.9 Ų28.91%0.00615%0.148CC..Hα-helixtrans-53.3-48.2168.8-32.937.5000113.8V261 H264 W265 G340 L341 A347 M348 L393V261-P344 HydrophobicContact CG1-CB 4.03Å; H264-P344 HydrophobicContact CB-CG 4.11Å; W265-P344 HydrophobicContact CE3-CB 3.9Å; W265-P344 HydrophobicContact CZ3-CB 4.45Å; G340-P344 WeakPolarHBondContact O-CD 3.48Å; L341-P344 WeakPolarHBondContact O-CD 3.42Å; P344-A347 PolarHBondContact O-N 3.1Å; P344-M348 WeakPolarHBondContact O-CB 3.35Å; P344-M348 VanDerWaalsContact O-CG 3.3Å; P344-M348 WeakPolarHBondContact O-CG 3.27Å; P344-M348 PolarHBondContact O-N 2.85Å; P344-L393 HydrophobicContact CG-CD2 3.88Å
345L98.6Very high97.1Very high4 Ų428.6 Ų28.62%0.02115%0.147CC..Hα-helixtrans-67.9-38.5-179.3-69.2166.7000111.8I223 W265 P301 V303 Q304 W307 L341 I342 E343 M348 R349I223-L345 HydrophobicContact CG2-CD2 3.79Å; W265-L345 HydrophobicContact CH2-CD2 4.02Å; W265-L345 HydrophobicContact CZ3-CD2 3.77Å; W265-L345 HydrophobicContact CZ3-CG 4.16Å; P301-L345 HydrophobicContact CG-CD1 4.06Å; P301-L345 HydrophobicContact CG-CD2 4.47Å; V303-L345 HydrophobicContact CG1-CD1 3.64Å; Q304-L345 HydrophobicContact CB-CD1 4.27Å; W307-L345 HydrophobicContact CZ2-CB 4.39Å; L341-L345 HydrophobicContact CB-CD1 3.96Å; L341-L345 HydrophobicContact CB-CG 4.36Å; L341-L345 VanDerWaalsContact O-CB 3.32Å; L341-L345 WeakPolarHBondContact O-CB 3.39Å; L341-L345 WeakPolarHBondContact O-CD1 3.39Å; L341-L345 WeakPolarHBondContact O-CG 3.49Å; L341-L345 PolarHBondContact O-N 2.85Å; I342-L345 PolarHBondContact O-N 2.97Å; E343-L345 PolarHBondContact O-N 3Å; L345-M348 HydrophobicContact CD2-SD 4.27Å; L345-M348 WeakPolarHBondContact O-CB 3.17Å; L345-M348 PolarHBondContact O-N 2.86Å; L345-R349 WeakPolarHBondContact O-CB 3.49Å; L345-R349 PolarHBondContact O-N 3.28Å
346R98.3Very high97.2Very high48 Ų4828 Ų2818%0.18114%0.14CC..Hα-helixtrans-62.1-45.9173.9-173.8176.9-64.9104.1-2.9111.5W307 I342 E343 R349 L350W307-R346 HydrophobicContact CH2-CB 3.98Å; W307-R346 HydrophobicContact CH2-CG 4.15Å; W307-R346 HydrophobicContact CZ3-CB 4.03Å; W307-R346 HydrophobicContact CZ3-CG 4.05Å; I342-R346 WeakPolarHBondContact O-CB 3.36Å; I342-R346 PolarHBondContact O-N 2.75Å; E343-R346 PolarHBondContact O-N 3.49Å; E343-R346 IonicContact OE1-CZ 2.82Å; E343-R346 IonicContact OE1-NH1 2.67Å; E343-R346 PolarHBondContact OE1-NH1 2.69Å; E343-R346 IonicContact OE2-CZ 2.88Å; E343-R346 IonicContact OE2-NH1 3.1Å; E343-R346 PolarHBondContact OE2-NH1 2.62Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 2.81Å; R346-L350 WeakPolarHBondContact O-CG 3.42Å; R346-L350 PolarHBondContact O-N 3.42Å
347A98.6Very high97.4Very high0 Ų024.2 Ų24.20%012%0.117CC..Hα-helixtrans-62.3-44.1176.400000112.3L257 V261 E343 P344 R349 L350 V351 Q389 L393L257-A347 HydrophobicContact CD1-CB 3.87Å; L257-A347 HydrophobicContact CD2-CB 4.39Å; L257-A347 HydrophobicContact CG-CB 4.29Å; V261-A347 HydrophobicContact CG2-CB 3.37Å; E343-A347 WeakPolarHBondContact O-CB 3.39Å; E343-A347 PolarHBondContact O-N 2.81Å; P344-A347 PolarHBondContact O-N 3.1Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 2.75Å; A347-L350 PolarHBondContact O-N 2.85Å; A347-V351 PolarHBondContact O-N 3.41Å; A347-Q389 HydrophobicContact CB-CG 3.85Å; A347-L393 HydrophobicContact CB-CD1 4.13Å
348M98.7Very high97.4Very high2 Ų223 Ų231%0.0110%0.104CC..Hα-helixtrans-55.2-46.3171.7-78.2178.8179.400111.7I223 L225 Y228 L229 V261 W265 P344 L345 L350 V351 Y352I223-M348 HydrophobicContact CG2-SD 4.14Å; L225-M348 HydrophobicContact CD2-CE 3.49Å; L225-M348 VanDerWaalsContact CD2-CE 3.49Å; L225-M348 HydrophobicContact CG-CE 4.09Å; Y228-M348 HydrophobicContact CD1-CB 3.82Å; Y228-M348 HydrophobicContact CG-CB 4.06Å; Y228-M348 HydrophobicContact CG-CG 4.38Å; Y228-M348 HydrophobicContact CG-SD 4.34Å; L229-M348 HydrophobicContact CD1-CG 4.2Å; L229-M348 HydrophobicContact CD2-CG 4.24Å; L229-M348 HydrophobicContact CG-CG 4.05Å; V261-M348 HydrophobicContact CG1-CE 4.06Å; V261-M348 HydrophobicContact CG1-CG 4.39Å; W265-M348 HydrophobicContact CD2-CE 3.69Å; W265-M348 HydrophobicContact CE3-CE 3.51Å; W265-M348 HydrophobicContact CE3-SD 4.34Å; W265-M348 HydrophobicContact CG-CE 4.34Å; W265-M348 HydrophobicContact CH2-CE 4.12Å; W265-M348 HydrophobicContact CH2-SD 4.38Å; W265-M348 HydrophobicContact CZ2-CE 4.27Å; W265-M348 HydrophobicContact CZ3-CE 3.73Å; W265-M348 HydrophobicContact CZ3-SD 4.03Å; P344-M348 WeakPolarHBondContact O-CB 3.35Å; P344-M348 VanDerWaalsContact O-CG 3.3Å; P344-M348 WeakPolarHBondContact O-CG 3.27Å; P344-M348 PolarHBondContact O-N 2.85Å; L345-M348 HydrophobicContact CD2-SD 4.27Å; L345-M348 WeakPolarHBondContact O-CB 3.17Å; L345-M348 PolarHBondContact O-N 2.86Å; M348-L350 PolarHBondContact O-N 3.23Å; M348-V351 PolarHBondContact O-N 2.96Å; M348-Y352 VanDerWaalsContact O-CB 3.22Å; M348-Y352 WeakPolarHBondContact O-CB 3.32Å; M348-Y352 PolarHBondContact O-N 2.69Å
349R98.1Very high97.2Very high77 Ų7728.2 Ų28.229%0.29112%0.123SC..Hα-helixtrans-61.7-42178.4-167.4177.7-170.7-168.32112.1D277 H279 W307 M308 L345 R346 A347 Y353D277-R349 IonicContact OD1-CZ 2.62Å; D277-R349 IonicContact OD1-NE 3.54Å; D277-R349 IonicContact OD1-NH2 2.75Å; D277-R349 PolarHBondContact OD1-NH2 3.5Å; D277-R349 IonicContact OD2-NH2 3.12Å; H279-R349 PolarHBondContact CD2-NH2 3.34Å; W307-R349 HydrophobicContact CH2-CB 4.38Å; W307-R349 HydrophobicContact CZ2-CB 4.42Å; M308-R349 PolarHBondContact SD-NH1 3.49Å; L345-R349 WeakPolarHBondContact O-CB 3.49Å; L345-R349 PolarHBondContact O-N 3.28Å; R346-R349 WeakPolarHBondContact O-CB 3.49Å; R346-R349 PolarHBondContact O-N 2.81Å; A347-R349 VanDerWaalsContact C-N 3.32Å; A347-R349 PolarHBondContact O-N 2.75Å; R349-Y353 WeakPolarHBondContact O-CB 3.32Å; R349-Y353 PolarHBondContact O-N 2.91Å
350L98.4Very high97Very high47 Ų4728.7 Ų28.725%0.24613%0.125CC..Hα-helixtrans-59.9-47.1178-70.7172.3000112.3R346 A347 M348 L354 T385 F386 Q389R346-L350 WeakPolarHBondContact O-CG 3.42Å; R346-L350 PolarHBondContact O-N 3.42Å; A347-L350 PolarHBondContact O-N 2.85Å; M348-L350 PolarHBondContact O-N 3.23Å; L350-L354 PolarHBondContact O-N 3.36Å; L350-T385 HydrophobicContact CD1-CG2 4.17Å; L350-F386 HydrophobicContact CB-CE1 3.99Å; L350-Q389 HydrophobicContact CD1-CB 4.3Å; L350-Q389 HydrophobicContact CD1-CG 4.08Å
351V98.7Very high96.9Very high0 Ų029.7 Ų29.70%012%0.12CC..Hα-helixtrans-68.3-47.6179.6171.30000110.9Y228 L229 Q232 F236 L257 A347 M348 L354 A355 F386Y228-V351 WeakPolarHBondContact O-CG1 3.44Å; L229-V351 HydrophobicContact CD2-CB 3.72Å; L229-V351 HydrophobicContact CD2-CG1 3.91Å; L229-V351 HydrophobicContact CD2-CG2 3.75Å; Q232-V351 HydrophobicContact CB-CG1 3.61Å; Q232-V351 HydrophobicContact CG-CG1 4.25Å; F236-V351 HydrophobicContact CE2-CG1 3.88Å; F236-V351 HydrophobicContact CZ-CG1 4.05Å; F236-V351 WeakPolarHBondContact CZ-O 3.18Å; L257-V351 HydrophobicContact CD2-CG2 3.91Å; A347-V351 PolarHBondContact O-N 3.41Å; M348-V351 PolarHBondContact O-N 2.96Å; V351-L354 PolarHBondContact O-N 3.35Å; V351-A355 PolarHBondContact O-N 3.16Å; V351-A355 VanDerWaalsContact O-N 3.09Å; V351-F386 HydrophobicContact CG2-CE1 4.33Å; V351-F386 HydrophobicContact CG2-CE2 4.06Å; V351-F386 HydrophobicContact CG2-CZ 3.74Å
352Y97.9Very high96.5Very high55 Ų5534.4 Ų34.422%0.21616%0.159CC..Hα-helixtrans-64.5-42.6-177.8-170.7-98.6000112.4E227 Y228 Q232 M348 L354 A355 W356E227-Y352 HydrophobicContact CG-CE2 4.18Å; Y228-Y352 HydrophobicContact CD1-CD1 4.48Å; Y228-Y352 HydrophobicContact CD1-CD2 4.12Å; Y228-Y352 AromaticContact CD1-CG 3.86Å; Y228-Y352 HydrophobicContact CD1-CG 3.86Å; Y228-Y352 HydrophobicContact CE1-CD1 4.24Å; Y228-Y352 HydrophobicContact CE1-CD2 4.47Å; Y228-Y352 HydrophobicContact CE1-CG 4.07Å; Y228-Y352 HydrophobicContact CG-CD2 4.39Å; Q232-Y352 HydrophobicContact CG-CD2 4.14Å; M348-Y352 VanDerWaalsContact O-CB 3.22Å; M348-Y352 WeakPolarHBondContact O-CB 3.32Å; M348-Y352 PolarHBondContact O-N 2.69Å; Y352-L354 PolarHBondContact O-N 2.88Å; Y352-A355 PolarHBondContact O-N 3.36Å; Y352-W356 WeakPolarHBondContact O-CB 3.48Å; Y352-W356 PolarHBondContact O-N 3.13Å
353Y97Very high95.9Very high102 Ų10235.3 Ų35.340%0.416%0.163SC..Hα-helixtrans-60.6-43.5176.5174.3-107.6000112.4R349 W356 L357R349-Y353 WeakPolarHBondContact O-CB 3.32Å; R349-Y353 PolarHBondContact O-N 2.91Å; Y353-W356 AromaticContact CD2-CE3 3.77Å; Y353-W356 HydrophobicContact CD2-CE3 3.77Å; Y353-W356 HydrophobicContact CD2-CZ3 4.08Å; Y353-W356 AromaticContact CE2-CE3 3.68Å; Y353-W356 HydrophobicContact CE2-CE3 3.68Å; Y353-W356 AromaticContact CE2-CZ3 3.51Å; Y353-W356 HydrophobicContact CE2-CZ3 3.51Å; Y353-W356 WeakPolarHBondContact O-CB 3.03Å; Y353-W356 PolarHBondContact O-N 3.26Å; Y353-L357 HydrophobicContact CD1-CD1 4.24Å; Y353-L357 HydrophobicContact CE1-CD1 3.63Å; Y353-L357 HydrophobicContact CE1-CG 4.31Å; Y353-L357 HydrophobicContact CE2-CG 4.42Å; Y353-L357 PolarHBondContact O-N 3.01Å
354L97.7Very high95.3Very high1 Ų138.8 Ų38.81%0.00519%0.189CC..Hα-helixtrans-63.9-45.3177.9179.856.2000111.3F236 F250 L350 V351 Y352 W356 L357 M358 L373 Y378 W379 Q382 F386F236-L354 HydrophobicContact CE1-CB 4.36Å; F236-L354 HydrophobicContact CE1-CD2 4.24Å; F236-L354 HydrophobicContact CE1-CG 3.99Å; F236-L354 HydrophobicContact CE2-CD2 4.49Å; F236-L354 HydrophobicContact CZ-CB 4.07Å; F236-L354 HydrophobicContact CZ-CD2 3.94Å; F236-L354 HydrophobicContact CZ-CG 3.99Å; F250-L354 HydrophobicContact CE2-CD2 3.98Å; F250-L354 HydrophobicContact CZ-CD2 3.53Å; L350-L354 PolarHBondContact O-N 3.36Å; V351-L354 PolarHBondContact O-N 3.35Å; Y352-L354 PolarHBondContact O-N 2.88Å; L354-W356 VanDerWaalsContact C-N 3.29Å; L354-W356 PolarHBondContact O-N 2.92Å; L354-L357 WeakPolarHBondContact O-CB 3.28Å; L354-L357 PolarHBondContact O-N 3.46Å; L354-M358 HydrophobicContact CD1-SD 4.39Å; L354-M358 HydrophobicContact CG-SD 4.13Å; L354-M358 WeakPolarHBondContact O-CG 3.42Å; L354-M358 PolarHBondContact O-N 3.19Å; L354-M358 VanDerWaalsContact O-N 3.16Å; L354-L373 HydrophobicContact CD1-CD1 3.68Å; L354-Y378 HydrophobicContact CD1-CE1 4.19Å; L354-Y378 WeakPolarHBondContact CD1-OH 3.3Å; L354-W379 HydrophobicContact CD1-CH2 3.91Å; L354-W379 HydrophobicContact CD1-CZ2 4.47Å; L354-W379 HydrophobicContact CD2-CH2 3.99Å; L354-W379 HydrophobicContact CD2-CZ3 3.87Å; L354-W379 HydrophobicContact CG-CH2 4.25Å; L354-Q382 HydrophobicContact CD2-CG 4Å; L354-F386 HydrophobicContact CD2-CZ 4.23Å
355A97.6Very high94.6Very high0 Ų039.9 Ų39.90%020%0.198CC..Hα-helixtrans-64.9-34.7176.900000112.6Q232 L235 F236 V351 Y352 M358 R359Q232-A355 HydrophobicContact CB-CB 3.87Å; Q232-A355 HydrophobicContact CG-CB 4.18Å; L235-A355 HydrophobicContact CD2-CB 4.27Å; F236-A355 HydrophobicContact CE1-CB 3.68Å; F236-A355 HydrophobicContact CZ-CB 4.11Å; V351-A355 PolarHBondContact O-N 3.16Å; V351-A355 VanDerWaalsContact O-N 3.09Å; Y352-A355 PolarHBondContact O-N 3.36Å; A355-M358 PolarHBondContact O-N 3.37Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 3.21Å
356W95.2Very high94.1Very high51 Ų5139.7 Ų39.719%0.19320%0.197CC..Hα-helixtrans-57.8-51.5171.3168.879.5000111.7E114 Y352 Y353 L354 M358 R359 R360 F366 F370E114-W356 PolarHBondContact OE2-NE1 3.08Å; Y352-W356 WeakPolarHBondContact O-CB 3.48Å; Y352-W356 PolarHBondContact O-N 3.13Å; Y353-W356 AromaticContact CD2-CE3 3.77Å; Y353-W356 HydrophobicContact CD2-CE3 3.77Å; Y353-W356 HydrophobicContact CD2-CZ3 4.08Å; Y353-W356 AromaticContact CE2-CE3 3.68Å; Y353-W356 HydrophobicContact CE2-CE3 3.68Å; Y353-W356 AromaticContact CE2-CZ3 3.51Å; Y353-W356 HydrophobicContact CE2-CZ3 3.51Å; Y353-W356 WeakPolarHBondContact O-CB 3.03Å; Y353-W356 PolarHBondContact O-N 3.26Å; L354-W356 VanDerWaalsContact C-N 3.29Å; L354-W356 PolarHBondContact O-N 2.92Å; W356-M358 PolarHBondContact O-N 3.28Å; W356-R359 PolarHBondContact O-N 3.24Å; W356-R360 HydrophobicContact CD2-CG 4.42Å; W356-R360 HydrophobicContact CG-CG 4.45Å; W356-R360 HydrophobicContact CZ2-CG 4.49Å; W356-R360 VanDerWaalsContact O-CG 3.25Å; W356-R360 WeakPolarHBondContact O-CG 3.47Å; W356-R360 PolarHBondContact O-N 2.87Å; W356-F366 HydrophobicContact CE3-CE1 4.42Å; W356-F366 AromaticContact CH2-CE1 3.53Å; W356-F366 HydrophobicContact CH2-CE1 3.53Å; W356-F366 AromaticContact CH2-CZ 3.79Å; W356-F366 HydrophobicContact CH2-CZ 3.79Å; W356-F366 AromaticContact CZ2-CE1 3.64Å; W356-F366 HydrophobicContact CZ2-CE1 3.64Å; W356-F366 AromaticContact CZ2-CZ 3.54Å; W356-F366 HydrophobicContact CZ2-CZ 3.54Å; W356-F366 AromaticContact CZ3-CE1 3.94Å; W356-F366 HydrophobicContact CZ3-CE1 3.94Å; W356-F370 HydrophobicContact CH2-CZ 4.45Å
357L95.8Very high93.9Very high0 Ų039.7 Ų39.70%020%0.204CC..Hα-helixtrans-54.3-41.7176.3-72173.5000112.1Y353 L354 R360 W361 F366 F370 W372 L373Y353-L357 HydrophobicContact CD1-CD1 4.24Å; Y353-L357 HydrophobicContact CE1-CD1 3.63Å; Y353-L357 HydrophobicContact CE1-CG 4.31Å; Y353-L357 HydrophobicContact CE2-CG 4.42Å; Y353-L357 PolarHBondContact O-N 3.01Å; L354-L357 WeakPolarHBondContact O-CB 3.28Å; L354-L357 PolarHBondContact O-N 3.46Å; L357-R360 PolarHBondContact O-N 2.88Å; L357-W361 PolarHBondContact O-N 2.86Å; L357-W361 VanDerWaalsContact O-N 3.08Å; L357-F366 HydrophobicContact CD2-CD1 4.01Å; L357-F366 HydrophobicContact CD2-CE1 4.08Å; L357-F370 HydrophobicContact CD2-CB 4.37Å; L357-F370 HydrophobicContact CD2-CD1 3.94Å; L357-F370 HydrophobicContact CD2-CD2 3.67Å; L357-F370 HydrophobicContact CD2-CE1 4.1Å; L357-F370 HydrophobicContact CD2-CE2 3.87Å; L357-F370 HydrophobicContact CD2-CG 3.71Å; L357-F370 HydrophobicContact CD2-CZ 4.08Å; L357-W372 HydrophobicContact CD1-CH2 3.45Å; L357-W372 VanDerWaalsContact CD1-CH2 3.45Å; L357-W372 HydrophobicContact CD1-CZ2 4.33Å; L357-W372 HydrophobicContact CD1-CZ3 4.06Å; L357-L373 HydrophobicContact CB-CD2 3.94Å; L357-L373 HydrophobicContact CD1-CD1 4.33Å
358M95.4Very high93.5Very high17 Ų1747.8 Ų47.88%0.08424%0.239CC..Hα-helixtrans-68.2-42.2-178.6-62.3169.293.400112.2L235 F236 A239 L241 I242 L354 A355 W356 R360 W361 L373 W379L235-M358 HydrophobicContact CD2-CB 3.84Å; L235-M358 HydrophobicContact CD2-CE 4.23Å; L235-M358 HydrophobicContact CD2-CG 4.44Å; L235-M358 HydrophobicContact CD2-SD 3.75Å; F236-M358 HydrophobicContact CD1-CE 4.15Å; F236-M358 HydrophobicContact CD1-SD 3.51Å; F236-M358 VanDerWaalsContact CD1-SD 3.51Å; F236-M358 HydrophobicContact CE1-SD 3.5Å; F236-M358 WeakPolarHBondContact CE1-SD 3.32Å; A239-M358 HydrophobicContact CB-CE 3.07Å; L241-M358 HydrophobicContact CB-CE 4.35Å; L241-M358 HydrophobicContact CD1-CB 4.24Å; L241-M358 HydrophobicContact CD1-CG 4.18Å; I242-M358 HydrophobicContact CD1-CE 4.01Å; I242-M358 HydrophobicContact CG1-CE 3.72Å; L354-M358 HydrophobicContact CD1-SD 4.39Å; L354-M358 HydrophobicContact CG-SD 4.13Å; L354-M358 WeakPolarHBondContact O-CG 3.42Å; L354-M358 PolarHBondContact O-N 3.19Å; L354-M358 VanDerWaalsContact O-N 3.16Å; A355-M358 PolarHBondContact O-N 3.37Å; W356-M358 PolarHBondContact O-N 3.28Å; M358-R360 PolarHBondContact O-N 3.35Å; M358-W361 WeakPolarHBondContact O-CB 3.3Å; M358-W361 PolarHBondContact O-N 3.15Å; M358-L373 HydrophobicContact CG-CD2 4.49Å; M358-W379 HydrophobicContact CE-CH2 3.95Å; M358-W379 HydrophobicContact CE-CZ2 4.36Å; M358-W379 HydrophobicContact SD-CH2 4.22Å
359R92.9Very high93Very high112 Ų11251 Ų5142%0.42326%0.256SS..Hα-helixtrans-63.1-31173.7-71.6-172.2-173.692.73.5112.5L235 A355 W356L235-R359 HydrophobicContact CD1-CG 3.5Å; L235-R359 VanDerWaalsContact CD1-CG 3.5Å; A355-R359 WeakPolarHBondContact O-CG 3.42Å; A355-R359 PolarHBondContact O-N 3.21Å; W356-R359 PolarHBondContact O-N 3.24Å
360R90.9Very high92.9Very high19 Ų1948.4 Ų48.47%0.07225%0.247CC..Hα-helixtrans-89.8-4.9-177.6-62.8-66-67.5133.5-2.6113.9Y113 E114 R134 W356 L357 M358 A362 D363 F366Y113-R360 PolarHBondContact O-NH2 3.23Å; E114-R360 IonicContact OE1-CZ 2.68Å; E114-R360 IonicContact OE1-NE 2.92Å; R134-R360 VanDerWaalsContact CZ-NH1 3.27Å; W356-R360 HydrophobicContact CD2-CG 4.42Å; W356-R360 HydrophobicContact CG-CG 4.45Å; W356-R360 HydrophobicContact CZ2-CG 4.49Å; W356-R360 VanDerWaalsContact O-CG 3.25Å; W356-R360 WeakPolarHBondContact O-CG 3.47Å; W356-R360 PolarHBondContact O-N 2.87Å; L357-R360 PolarHBondContact O-N 2.88Å; M358-R360 PolarHBondContact O-N 3.35Å; R360-A362 PolarHBondContact O-N 3.24Å; R360-D363 IonicContact CZ-OD2 3.05Å; R360-D363 IonicContact NH1-OD2 3.63Å; R360-D363 IonicContact NH2-OD2 3.66Å; R360-D363 PolarHBondContact NH2-OD2 2.66Å; R360-D363 VanDerWaalsContact O-CB 3.3Å; R360-D363 WeakPolarHBondContact O-CB 3.39Å; R360-D363 PolarHBondContact O-N 3.13Å; R360-F366 HydrophobicContact CB-CD1 3.37Å; R360-F366 HydrophobicContact CB-CD2 3.84Å; R360-F366 HydrophobicContact CB-CE1 3.15Å; R360-F366 HydrophobicContact CB-CE2 3.64Å; R360-F366 HydrophobicContact CB-CG 3.71Å; R360-F366 HydrophobicContact CB-CZ 3.28Å; R360-F366 HydrophobicContact CG-CD1 4.31Å; R360-F366 HydrophobicContact CG-CE1 3.58Å; R360-F366 HydrophobicContact CG-CE2 4.1Å; R360-F366 HydrophobicContact CG-CZ 3.45Å; R360-F366 VanDerWaalsContact CG-CZ 3.45Å
361W93.5Very high92.6Very high49 Ų4949.7 Ų49.719%0.18626%0.258CS..THydrogen-bonded Turntrans-58.9-27.3-169.8-169.4-106.9000115.2L241 L357 M358 D363 F366 P367 F370 L373 T374L241-W361 HydrophobicContact CD1-CB 3.69Å; L241-W361 HydrophobicContact CD1-CD2 3.99Å; L241-W361 HydrophobicContact CD1-CG 3.54Å; L241-W361 VanDerWaalsContact CD2-CD1 3.48Å; L241-W361 HydrophobicContact CD2-CD2 4.16Å; L241-W361 HydrophobicContact CD2-CG 3.92Å; L241-W361 HydrophobicContact CG-CG 4.37Å; L357-W361 PolarHBondContact O-N 2.86Å; L357-W361 VanDerWaalsContact O-N 3.08Å; M358-W361 WeakPolarHBondContact O-CB 3.3Å; M358-W361 PolarHBondContact O-N 3.15Å; W361-D363 VanDerWaalsContact C-N 3.27Å; W361-D363 PolarHBondContact O-N 3.15Å; W361-F366 HydrophobicContact CE3-CB 4.3Å; W361-P367 HydrophobicContact CD2-CG 4.1Å; W361-P367 HydrophobicContact CE3-CG 4.34Å; W361-P367 HydrophobicContact CH2-CB 3.99Å; W361-P367 HydrophobicContact CH2-CG 4.27Å; W361-P367 HydrophobicContact CZ2-CB 3.88Å; W361-P367 HydrophobicContact CZ2-CG 3.97Å; W361-P367 HydrophobicContact CZ3-CB 4.46Å; W361-P367 HydrophobicContact CZ3-CG 4.43Å; W361-P367 WeakPolarHBondContact O-CD 3.48Å; W361-P367 WeakPolarHBondContact O-CG 3.42Å; W361-F370 WeakPolarHBondContact CH2-O 3.18Å; W361-F370 HydrophobicContact CZ3-CB 4.37Å; W361-F370 WeakPolarHBondContact CZ3-O 3.41Å; W361-L373 HydrophobicContact CD2-CD2 4.23Å; W361-L373 HydrophobicContact CE3-CB 4.4Å; W361-L373 HydrophobicContact CE3-CD2 3.49Å; W361-L373 VanDerWaalsContact CE3-CD2 3.49Å; W361-L373 HydrophobicContact CH2-CB 4.01Å; W361-L373 HydrophobicContact CZ3-CB 3.71Å; W361-L373 HydrophobicContact CZ3-CD2 3.67Å; W361-L373 HydrophobicContact CZ3-CG 4.28Å; W361-T374 HydrophobicContact CH2-CG2 4.05Å; W361-T374 HydrophobicContact CZ2-CG2 3.45Å; W361-T374 VanDerWaalsContact CZ2-CG2 3.45Å
362A88.6Confident92.4Very high99 Ų9954 Ų5482%0.81828%0.275SS*.THydrogen-bonded Turntrans-71.6-18.9176.500000113.7R360 P364R360-A362 PolarHBondContact O-N 3.24Å; A362-P364 WeakPolarHBondContact O-CD 3.06Å
363D85.2Confident92.3Very high22 Ų2251.4 Ų51.412%0.11826%0.264CS..SBendtrans-70.8123.4173.8-176.3-42.1000109.2R116 R360 W361 A365 F366 P367R116-D363 IonicContact CZ-OD2 3.69Å; R116-D363 IonicContact NH2-OD1 3.99Å; R116-D363 IonicContact NH2-OD2 3.4Å; R116-D363 PolarHBondContact NH2-OD2 3.15Å; R360-D363 IonicContact CZ-OD2 3.05Å; R360-D363 IonicContact NH1-OD2 3.63Å; R360-D363 IonicContact NH2-OD2 3.66Å; R360-D363 PolarHBondContact NH2-OD2 2.66Å; R360-D363 VanDerWaalsContact O-CB 3.3Å; R360-D363 WeakPolarHBondContact O-CB 3.39Å; R360-D363 PolarHBondContact O-N 3.13Å; W361-D363 VanDerWaalsContact C-N 3.27Å; W361-D363 PolarHBondContact O-N 3.15Å; D363-A365 PolarHBondContact O-N 3.48Å; D363-A365 WeakPolarHBondContact OD1-CB 3.02Å; D363-A365 PolarHBondContact OD1-N 3.09Å; D363-F366 HydrophobicContact CB-CD2 3.72Å; D363-F366 HydrophobicContact CB-CE2 4.23Å; D363-F366 PolarHBondContact O-N 3.19Å; D363-P367 WeakPolarHBondContact O-CD 3.26Å
364P85.6Confident92Very high109 Ų10950.2 Ų50.271%0.70827%0.268SS*.THydrogen-bonded Turntrans-55.5-22.7-176.4-27.435.2000115.1A362 F366A362-P364 WeakPolarHBondContact O-CD 3.06Å; P364-F366 VanDerWaalsContact C-N 3.3Å; P364-F366 PolarHBondContact O-N 3.2Å
365A83.9Confident91.9Very high24 Ų2451.7 Ų51.720%0.19828%0.283CS..Hα-helixtrans-68-28.817500000112.5D363 N369D363-A365 PolarHBondContact O-N 3.48Å; D363-A365 WeakPolarHBondContact OD1-CB 3.02Å; D363-A365 PolarHBondContact OD1-N 3.09Å; A365-N369 WeakPolarHBondContact O-CB 3.35Å; A365-N369 PolarHBondContact O-N 3.14Å; A365-N369 PolarHBondContact O-ND2 3.28Å
366F89.1Confident91.8Very high0 Ų057.6 Ų57.60%031%0.311CS..Hα-helixtrans-76.5-49.8-171.6-80.4-107.9000113.2W356 L357 R360 W361 D363 P364 K368 N369 F370W356-F366 HydrophobicContact CE3-CE1 4.42Å; W356-F366 AromaticContact CH2-CE1 3.53Å; W356-F366 HydrophobicContact CH2-CE1 3.53Å; W356-F366 AromaticContact CH2-CZ 3.79Å; W356-F366 HydrophobicContact CH2-CZ 3.79Å; W356-F366 AromaticContact CZ2-CE1 3.64Å; W356-F366 HydrophobicContact CZ2-CE1 3.64Å; W356-F366 AromaticContact CZ2-CZ 3.54Å; W356-F366 HydrophobicContact CZ2-CZ 3.54Å; W356-F366 AromaticContact CZ3-CE1 3.94Å; W356-F366 HydrophobicContact CZ3-CE1 3.94Å; L357-F366 HydrophobicContact CD2-CD1 4.01Å; L357-F366 HydrophobicContact CD2-CE1 4.08Å; R360-F366 HydrophobicContact CB-CD1 3.37Å; R360-F366 HydrophobicContact CB-CD2 3.84Å; R360-F366 HydrophobicContact CB-CE1 3.15Å; R360-F366 HydrophobicContact CB-CE2 3.64Å; R360-F366 HydrophobicContact CB-CG 3.71Å; R360-F366 HydrophobicContact CB-CZ 3.28Å; R360-F366 HydrophobicContact CG-CD1 4.31Å; R360-F366 HydrophobicContact CG-CE1 3.58Å; R360-F366 HydrophobicContact CG-CE2 4.1Å; R360-F366 HydrophobicContact CG-CZ 3.45Å; R360-F366 VanDerWaalsContact CG-CZ 3.45Å; W361-F366 HydrophobicContact CE3-CB 4.3Å; D363-F366 HydrophobicContact CB-CD2 3.72Å; D363-F366 HydrophobicContact CB-CE2 4.23Å; D363-F366 PolarHBondContact O-N 3.19Å; P364-F366 VanDerWaalsContact C-N 3.3Å; P364-F366 PolarHBondContact O-N 3.2Å; F366-K368 PolarHBondContact O-N 3.07Å; F366-N369 PolarHBondContact O-N 3.1Å; F366-F370 HydrophobicContact CB-CD2 4.16Å; F366-F370 AromaticContact CD1-CD2 3.59Å; F366-F370 HydrophobicContact CD1-CD2 3.59Å; F366-F370 AromaticContact CD1-CE2 3.61Å; F366-F370 HydrophobicContact CD1-CE2 3.61Å; F366-F370 HydrophobicContact CE1-CD2 4.25Å; F366-F370 AromaticContact CE1-CE2 3.81Å; F366-F370 HydrophobicContact CE1-CE2 3.81Å; F366-F370 HydrophobicContact CG-CD2 4.07Å; F366-F370 HydrophobicContact CG-CE2 4.17Å; F366-F370 WeakPolarHBondContact O-CA 3.46Å; F366-F370 WeakPolarHBondContact O-CB 3.44Å; F366-F370 WeakPolarHBondContact O-CD2 3.1Å; F366-F370 PolarHBondContact O-N 2.88Å
367P92.7Very high91.9Very high48 Ų4860.9 Ų60.931%0.31233%0.332SS..Hα-helixtrans-58.6-30.9173.6-25.635000113.3W361 D363 P371W361-P367 HydrophobicContact CD2-CG 4.1Å; W361-P367 HydrophobicContact CE3-CG 4.34Å; W361-P367 HydrophobicContact CH2-CB 3.99Å; W361-P367 HydrophobicContact CH2-CG 4.27Å; W361-P367 HydrophobicContact CZ2-CB 3.88Å; W361-P367 HydrophobicContact CZ2-CG 3.97Å; W361-P367 HydrophobicContact CZ3-CB 4.46Å; W361-P367 HydrophobicContact CZ3-CG 4.43Å; W361-P367 WeakPolarHBondContact O-CD 3.48Å; W361-P367 WeakPolarHBondContact O-CG 3.42Å; D363-P367 WeakPolarHBondContact O-CD 3.26Å; P367-P371 WeakPolarHBondContact O-CA 3.46Å; P367-P371 WeakPolarHBondContact O-CB 3.25Å
368K89.8Confident91.9Very high170 Ų17062.1 Ų62.174%0.73934%0.337SS*.Hα-helixtrans-71.8-44.2177.6-175.3-178.3176.5-175.10112.8F366F366-K368 PolarHBondContact O-N 3.07Å
369N90.1Very high92Very high69 Ų6961.3 Ų61.337%0.36933%0.333SS..Hα-helixtrans-92.1-20.7-174.9-67.7-67.6000113.4Y113 A365 F366Y113-N369 HydrophobicContact CE1-CB 4.06Å; A365-N369 WeakPolarHBondContact O-CB 3.35Å; A365-N369 PolarHBondContact O-N 3.14Å; A365-N369 PolarHBondContact O-ND2 3.28Å; F366-N369 PolarHBondContact O-N 3.1Å
370F94.4Very high92.3Very high22 Ų2260.5 Ų60.510%0.09634%0.336CS..  trans-125.848.2179.3-46.9-73.8000112.4Y113 W356 L357 W361 F366 W372 L373Y113-F370 HydrophobicContact CD1-CE2 4.44Å; Y113-F370 HydrophobicContact CD2-CZ 4.41Å; Y113-F370 HydrophobicContact CE1-CE2 4.48Å; Y113-F370 HydrophobicContact CE2-CZ 4.28Å; W356-F370 HydrophobicContact CH2-CZ 4.45Å; L357-F370 HydrophobicContact CD2-CB 4.37Å; L357-F370 HydrophobicContact CD2-CD1 3.94Å; L357-F370 HydrophobicContact CD2-CD2 3.67Å; L357-F370 HydrophobicContact CD2-CE1 4.1Å; L357-F370 HydrophobicContact CD2-CE2 3.87Å; L357-F370 HydrophobicContact CD2-CG 3.71Å; L357-F370 HydrophobicContact CD2-CZ 4.08Å; W361-F370 WeakPolarHBondContact CH2-O 3.18Å; W361-F370 HydrophobicContact CZ3-CB 4.37Å; W361-F370 WeakPolarHBondContact CZ3-O 3.41Å; F366-F370 HydrophobicContact CB-CD2 4.16Å; F366-F370 AromaticContact CD1-CD2 3.59Å; F366-F370 HydrophobicContact CD1-CD2 3.59Å; F366-F370 AromaticContact CD1-CE2 3.61Å; F366-F370 HydrophobicContact CD1-CE2 3.61Å; F366-F370 HydrophobicContact CE1-CD2 4.25Å; F366-F370 AromaticContact CE1-CE2 3.81Å; F366-F370 HydrophobicContact CE1-CE2 3.81Å; F366-F370 HydrophobicContact CG-CD2 4.07Å; F366-F370 HydrophobicContact CG-CE2 4.17Å; F366-F370 WeakPolarHBondContact O-CA 3.46Å; F366-F370 WeakPolarHBondContact O-CB 3.44Å; F366-F370 WeakPolarHBondContact O-CD2 3.1Å; F366-F370 PolarHBondContact O-N 2.88Å; F370-W372 HydrophobicContact CB-CZ2 4.15Å; F370-W372 AromaticContact CD1-CZ2 3.7Å; F370-W372 HydrophobicContact CD1-CZ2 3.7Å; F370-W372 HydrophobicContact CG-CZ2 4.37Å; F370-W372 PolarHBondContact O-N 2.86Å; F370-W372 VanDerWaalsContact O-N 3.08Å; F370-L373 WeakPolarHBondContact O-CB 3.39Å; F370-L373 PolarHBondContact O-N 3.32Å; F370-L373 VanDerWaalsContact O-N 3.1Å
371P93.3Very high92.6Very high75 Ų7567.2 Ų67.249%0.48736%0.362SS..G310 helixtrans-63.2-21.7-174.527.9-36.5000113.1P367 L373 T374P367-P371 WeakPolarHBondContact O-CA 3.46Å; P367-P371 WeakPolarHBondContact O-CB 3.25Å; P371-L373 PolarHBondContact O-N 3.08Å; P371-T374 PolarHBondContact O-OG1 2.9Å
372W94.6Very high92.8Very high91 Ų9166 Ų6635%0.34536%0.358SS..G310 helixtrans-66.7-18.917847.7-103000113.4L357 F370 T374 G375 Y378L357-W372 HydrophobicContact CD1-CH2 3.45Å; L357-W372 VanDerWaalsContact CD1-CH2 3.45Å; L357-W372 HydrophobicContact CD1-CZ2 4.33Å; L357-W372 HydrophobicContact CD1-CZ3 4.06Å; F370-W372 HydrophobicContact CB-CZ2 4.15Å; F370-W372 AromaticContact CD1-CZ2 3.7Å; F370-W372 HydrophobicContact CD1-CZ2 3.7Å; F370-W372 HydrophobicContact CG-CZ2 4.37Å; F370-W372 PolarHBondContact O-N 2.86Å; F370-W372 VanDerWaalsContact O-N 3.08Å; W372-T374 PolarHBondContact O-N 3.06Å; W372-T374 VanDerWaalsContact O-N 3.14Å; W372-G375 PolarHBondContact O-N 3.4Å; W372-Y378 HydrophobicContact CD2-CD2 4.31Å; W372-Y378 AromaticContact CE3-CD1 3.9Å; W372-Y378 HydrophobicContact CE3-CD1 3.9Å; W372-Y378 AromaticContact CE3-CD2 3.41Å; W372-Y378 HydrophobicContact CE3-CD2 3.41Å; W372-Y378 VanDerWaalsContact CE3-CD2 3.41Å; W372-Y378 AromaticContact CE3-CE1 3.97Å; W372-Y378 HydrophobicContact CE3-CE1 3.97Å; W372-Y378 AromaticContact CE3-CE2 3.51Å; W372-Y378 HydrophobicContact CE3-CE2 3.51Å; W372-Y378 AromaticContact CE3-CG 3.62Å; W372-Y378 HydrophobicContact CE3-CG 3.62Å; W372-Y378 AromaticContact CE3-CZ 3.8Å; W372-Y378 HydrophobicContact CH2-CE2 4.12Å; W372-Y378 HydrophobicContact CZ3-CD1 4.1Å; W372-Y378 AromaticContact CZ3-CD2 3.74Å; W372-Y378 HydrophobicContact CZ3-CD2 3.74Å; W372-Y378 AromaticContact CZ3-CE1 3.68Å; W372-Y378 HydrophobicContact CZ3-CE1 3.68Å; W372-Y378 AromaticContact CZ3-CE2 3.28Å; W372-Y378 HydrophobicContact CZ3-CE2 3.28Å; W372-Y378 HydrophobicContact CZ3-CG 4.13Å; W372-Y378 AromaticContact CZ3-CZ 3.25Å; W372-Y378 VanDerWaalsContact O-CB 3.25Å; W372-Y378 WeakPolarHBondContact O-CB 3.49Å
373L94.6Very high93.3Very high0 Ų062 Ų620%032%0.323CS..G310 helixtrans-62.7-23.9-176.3-170.566.2000112.8L241 L354 L357 M358 W361 F370 P371 Y378 W379L241-L373 HydrophobicContact CD1-CD2 4.03Å; L354-L373 HydrophobicContact CD1-CD1 3.68Å; L357-L373 HydrophobicContact CB-CD2 3.94Å; L357-L373 HydrophobicContact CD1-CD1 4.33Å; M358-L373 HydrophobicContact CG-CD2 4.49Å; W361-L373 HydrophobicContact CD2-CD2 4.23Å; W361-L373 HydrophobicContact CE3-CB 4.4Å; W361-L373 HydrophobicContact CE3-CD2 3.49Å; W361-L373 VanDerWaalsContact CE3-CD2 3.49Å; W361-L373 HydrophobicContact CH2-CB 4.01Å; W361-L373 HydrophobicContact CZ3-CB 3.71Å; W361-L373 HydrophobicContact CZ3-CD2 3.67Å; W361-L373 HydrophobicContact CZ3-CG 4.28Å; F370-L373 WeakPolarHBondContact O-CB 3.39Å; F370-L373 PolarHBondContact O-N 3.32Å; F370-L373 VanDerWaalsContact O-N 3.1Å; P371-L373 PolarHBondContact O-N 3.08Å; L373-Y378 HydrophobicContact CD1-CD1 4.35Å; L373-Y378 HydrophobicContact CD1-CE1 3.75Å; L373-W379 HydrophobicContact CD1-CZ2 4.1Å; L373-W379 PolarHBondContact O-NE1 3.24Å
374T92.2Very high93.9Very high77 Ų7763.6 Ų63.647%0.47234%0.339SS..G310 helixtrans-94.1-2.1176.652.30000113.9L241 W361 P371 W372L241-T374 HydrophobicContact CD2-CG2 4.05Å; W361-T374 HydrophobicContact CH2-CG2 4.05Å; W361-T374 HydrophobicContact CZ2-CG2 3.45Å; W361-T374 VanDerWaalsContact CZ2-CG2 3.45Å; P371-T374 PolarHBondContact O-OG1 2.9Å; W372-T374 PolarHBondContact O-N 3.06Å; W372-T374 VanDerWaalsContact O-N 3.14Å
375G93.9Very high94.6Very high31 Ų3161.2 Ų61.232%0.3232%0.323SS..  trans-87.4135.8-177.500000112.9W372 D377 Y378 W379W372-G375 PolarHBondContact O-N 3.4Å; G375-D377 VanDerWaalsContact C-N 3.31Å; G375-D377 PolarHBondContact O-N 3.32Å; G375-Y378 WeakPolarHBondContact O-CB 3.5Å; G375-Y378 PolarHBondContact O-N 3.44Å; G375-W379 PolarHBondContact O-N 3.19Å
376E96.4Very high95.3Very high125 Ų12560 Ų6058%0.58431%0.314SS*.Hα-helixtrans-59.5-38.1179.3-67.1-171.4168.600113.1P243 L246 Y378 W379 L380P243-E376 HydrophobicContact CB-CG 3.96Å; P243-E376 HydrophobicContact CG-CG 3.86Å; L246-E376 HydrophobicContact CD1-CB 3.99Å; L246-E376 HydrophobicContact CD1-CG 4.33Å; L246-E376 WeakPolarHBondContact CD1-O 3.33Å; E376-Y378 VanDerWaalsContact C-N 3.25Å; E376-Y378 PolarHBondContact O-N 2.91Å; E376-W379 PolarHBondContact O-N 2.95Å; E376-W379 VanDerWaalsContact O-N 3.1Å; E376-L380 PolarHBondContact O-N 2.93Å
377D96.3Very high95.7Very high119 Ų11963.2 Ų63.264%0.63633%0.33SS*.Hα-helixtrans-62-31.1178.3-67.3-26.1000113.4G375 R381G375-D377 VanDerWaalsContact C-N 3.31Å; G375-D377 PolarHBondContact O-N 3.32Å; D377-R381 WeakPolarHBondContact O-CG 3.49Å; D377-R381 PolarHBondContact O-N 3.31Å; D377-R381 PolarHBondContact O-NE 3.34Å; D377-R381 VanDerWaalsContact O-NE 3.17Å
378Y96.9Very high96Very high26 Ų2665.2 Ų65.210%0.10234%0.335CS..Hα-helixtrans-67.3-48.4173.7168.6-102.9000110.2L354 W372 L373 G375 E376 L380 R381 Q382L354-Y378 HydrophobicContact CD1-CE1 4.19Å; L354-Y378 WeakPolarHBondContact CD1-OH 3.3Å; W372-Y378 HydrophobicContact CD2-CD2 4.31Å; W372-Y378 AromaticContact CE3-CD1 3.9Å; W372-Y378 HydrophobicContact CE3-CD1 3.9Å; W372-Y378 AromaticContact CE3-CD2 3.41Å; W372-Y378 HydrophobicContact CE3-CD2 3.41Å; W372-Y378 VanDerWaalsContact CE3-CD2 3.41Å; W372-Y378 AromaticContact CE3-CE1 3.97Å; W372-Y378 HydrophobicContact CE3-CE1 3.97Å; W372-Y378 AromaticContact CE3-CE2 3.51Å; W372-Y378 HydrophobicContact CE3-CE2 3.51Å; W372-Y378 AromaticContact CE3-CG 3.62Å; W372-Y378 HydrophobicContact CE3-CG 3.62Å; W372-Y378 AromaticContact CE3-CZ 3.8Å; W372-Y378 HydrophobicContact CH2-CE2 4.12Å; W372-Y378 HydrophobicContact CZ3-CD1 4.1Å; W372-Y378 AromaticContact CZ3-CD2 3.74Å; W372-Y378 HydrophobicContact CZ3-CD2 3.74Å; W372-Y378 AromaticContact CZ3-CE1 3.68Å; W372-Y378 HydrophobicContact CZ3-CE1 3.68Å; W372-Y378 AromaticContact CZ3-CE2 3.28Å; W372-Y378 HydrophobicContact CZ3-CE2 3.28Å; W372-Y378 HydrophobicContact CZ3-CG 4.13Å; W372-Y378 AromaticContact CZ3-CZ 3.25Å; W372-Y378 VanDerWaalsContact O-CB 3.25Å; W372-Y378 WeakPolarHBondContact O-CB 3.49Å; L373-Y378 HydrophobicContact CD1-CD1 4.35Å; L373-Y378 HydrophobicContact CD1-CE1 3.75Å; G375-Y378 WeakPolarHBondContact O-CB 3.5Å; G375-Y378 PolarHBondContact O-N 3.44Å; E376-Y378 VanDerWaalsContact C-N 3.25Å; E376-Y378 PolarHBondContact O-N 2.91Å; Y378-L380 PolarHBondContact O-N 3.47Å; Y378-R381 PolarHBondContact O-N 3.26Å; Y378-R381 VanDerWaalsContact O-N 3.17Å; Y378-Q382 HydrophobicContact CE1-CB 4.26Å; Y378-Q382 HydrophobicContact CE1-CG 4.42Å; Y378-Q382 HydrophobicContact CE2-CB 4.42Å; Y378-Q382 WeakPolarHBondContact O-CB 3.22Å; Y378-Q382 PolarHBondContact O-N 2.9Å; Y378-Q382 PolarHBondContact OH-OE1 3.43Å
379W97.6Very high96.4Very high0 Ų058.1 Ų58.10%031%0.305CS..Hα-helixtrans-66.7-34.4-177.6-73.498.9000113.5L241 I242 P243 L246 F250 L354 M358 L373 G375 E376 T383L241-W379 PolarHBondContact O-NE1 3.42Å; I242-W379 HydrophobicContact CB-CH2 4.39Å; I242-W379 HydrophobicContact CB-CZ2 4.39Å; I242-W379 HydrophobicContact CB-CZ3 4.43Å; I242-W379 HydrophobicContact CD1-CH2 3.91Å; I242-W379 HydrophobicContact CD1-CZ3 3.85Å; I242-W379 HydrophobicContact CG1-CE3 4.39Å; I242-W379 HydrophobicContact CG1-CH2 3.53Å; I242-W379 HydrophobicContact CG1-CZ2 3.84Å; I242-W379 HydrophobicContact CG1-CZ3 3.81Å; I242-W379 HydrophobicContact CG2-CD2 4.02Å; I242-W379 HydrophobicContact CG2-CE3 3.84Å; I242-W379 HydrophobicContact CG2-CZ3 4.08Å; P243-W379 HydrophobicContact CG-CG 4.26Å; L246-W379 HydrophobicContact CD1-CB 3.82Å; F250-W379 HydrophobicContact CD1-CE3 4.3Å; F250-W379 AromaticContact CD1-CZ3 3.94Å; F250-W379 HydrophobicContact CD1-CZ3 3.94Å; F250-W379 AromaticContact CD2-CE3 3.87Å; F250-W379 HydrophobicContact CD2-CE3 3.87Å; F250-W379 AromaticContact CD2-CZ3 3.99Å; F250-W379 HydrophobicContact CD2-CZ3 3.99Å; F250-W379 HydrophobicContact CE1-CE3 4.46Å; F250-W379 AromaticContact CE1-CZ3 3.71Å; F250-W379 HydrophobicContact CE1-CZ3 3.71Å; F250-W379 HydrophobicContact CE2-CE3 4.06Å; F250-W379 AromaticContact CE2-CZ3 3.78Å; F250-W379 HydrophobicContact CE2-CZ3 3.78Å; F250-W379 HydrophobicContact CG-CE3 4.01Å; F250-W379 HydrophobicContact CG-CZ3 4.07Å; F250-W379 HydrophobicContact CZ-CE3 4.36Å; F250-W379 AromaticContact CZ-CZ3 3.65Å; F250-W379 HydrophobicContact CZ-CZ3 3.65Å; L354-W379 HydrophobicContact CD1-CH2 3.91Å; L354-W379 HydrophobicContact CD1-CZ2 4.47Å; L354-W379 HydrophobicContact CD2-CH2 3.99Å; L354-W379 HydrophobicContact CD2-CZ3 3.87Å; L354-W379 HydrophobicContact CG-CH2 4.25Å; M358-W379 HydrophobicContact CE-CH2 3.95Å; M358-W379 HydrophobicContact CE-CZ2 4.36Å; M358-W379 HydrophobicContact SD-CH2 4.22Å; L373-W379 HydrophobicContact CD1-CZ2 4.1Å; L373-W379 PolarHBondContact O-NE1 3.24Å; G375-W379 PolarHBondContact O-N 3.19Å; E376-W379 PolarHBondContact O-N 2.95Å; E376-W379 VanDerWaalsContact O-N 3.1Å; W379-T383 WeakPolarHBondContact O-CB 3.21Å; W379-T383 PolarHBondContact O-N 3.47Å; W379-T383 PolarHBondContact O-OG1 3.45Å
380L98.1Very high96.8Very high95 Ų9555.5 Ų55.550%0.49729%0.293SS..Hα-helixtrans-61-47.4170.7-75.2170.7000111.5L246 E376 Y378 T383 A384L246-L380 HydrophobicContact CD1-CD2 4.31Å; L246-L380 HydrophobicContact CD1-CG 3.95Å; L246-L380 HydrophobicContact CD2-CD2 3.64Å; L246-L380 HydrophobicContact CD2-CG 4.17Å; E376-L380 PolarHBondContact O-N 2.93Å; Y378-L380 PolarHBondContact O-N 3.47Å; L380-T383 PolarHBondContact O-N 2.93Å; L380-A384 PolarHBondContact O-N 2.87Å; L380-A384 VanDerWaalsContact O-N 3.08Å
381R98.1Very high96.9Very high161 Ų16159.7 Ų59.761%0.60831%0.31SS*.Hα-helixtrans-65.5-43.6177.2-73.5-176.5-69168.40112.1D377 Y378 T383 A384 T385D377-R381 WeakPolarHBondContact O-CG 3.49Å; D377-R381 PolarHBondContact O-N 3.31Å; D377-R381 PolarHBondContact O-NE 3.34Å; D377-R381 VanDerWaalsContact O-NE 3.17Å; Y378-R381 PolarHBondContact O-N 3.26Å; Y378-R381 VanDerWaalsContact O-N 3.17Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.48Å; R381-A384 CarbonylContact O-C 3.6Å; R381-A384 WeakPolarHBondContact O-CB 3.38Å; R381-A384 PolarHBondContact O-N 3.35Å; R381-A384 VanDerWaalsContact O-N 3.11Å; R381-T385 PolarHBondContact O-N 3.18Å; R381-T385 PolarHBondContact O-OG1 2.92Å; R381-T385 VanDerWaalsContact O-OG1 3.1Å
382Q98.1Very high97Very high22 Ų2257.8 Ų57.810%0.10330%0.297CS..Hα-helixtrans-62.2-39.9178.7-170.162.641.700111.7F250 L354 Y378 T385 F386F250-Q382 HydrophobicContact CE2-CG 3.99Å; L354-Q382 HydrophobicContact CD2-CG 4Å; Y378-Q382 HydrophobicContact CE1-CB 4.26Å; Y378-Q382 HydrophobicContact CE1-CG 4.42Å; Y378-Q382 HydrophobicContact CE2-CB 4.42Å; Y378-Q382 WeakPolarHBondContact O-CB 3.22Å; Y378-Q382 PolarHBondContact O-N 2.9Å; Y378-Q382 PolarHBondContact OH-OE1 3.43Å; Q382-T385 WeakPolarHBondContact O-CB 3.18Å; Q382-T385 PolarHBondContact O-N 3.47Å; Q382-F386 HydrophobicContact CG-CE1 4.48Å; Q382-F386 PolarHBondContact O-N 2.88Å
383T98.6Very high97.1Very high16 Ų1653.7 Ų53.710%0.09828%0.282CS..Hα-helixtrans-61-45.7173.1-57.20000110.7A253 W379 L380 R381 T385 F386 I387A253-T383 HydrophobicContact CB-CG2 3.84Å; W379-T383 WeakPolarHBondContact O-CB 3.21Å; W379-T383 PolarHBondContact O-N 3.47Å; W379-T383 PolarHBondContact O-OG1 3.45Å; L380-T383 PolarHBondContact O-N 2.93Å; R381-T383 VanDerWaalsContact C-N 3.31Å; R381-T383 PolarHBondContact O-N 3.48Å; T383-T385 VanDerWaalsContact C-N 3.35Å; T383-T385 PolarHBondContact O-N 3.22Å; T383-F386 PolarHBondContact O-N 3.2Å; T383-I387 HydrophobicContact CG2-CD1 4.13Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.42Å; T383-I387 VanDerWaalsContact O-N 3.08Å
384A98.5Very high97.1Very high55 Ų5560.1 Ų60.146%0.45531%0.312SS..Hα-helixtrans-62.8-39.5175.800000112.4L380 R381 F386 I387 E388L380-A384 PolarHBondContact O-N 2.87Å; L380-A384 VanDerWaalsContact O-N 3.08Å; R381-A384 CarbonylContact O-C 3.6Å; R381-A384 WeakPolarHBondContact O-CB 3.38Å; R381-A384 PolarHBondContact O-N 3.35Å; R381-A384 VanDerWaalsContact O-N 3.11Å; A384-F386 PolarHBondContact O-N 2.92Å; A384-I387 PolarHBondContact O-N 3.14Å; A384-E388 WeakPolarHBondContact O-CB 3.29Å; A384-E388 PolarHBondContact O-N 3.25Å
385T98.6Very high97.1Very high59 Ų5960.4 Ų60.436%0.36231%0.308SS..Hα-helixtrans-59.8-42.9174.6-61.50000111.7L350 R381 Q382 T383 E388 Q389L350-T385 HydrophobicContact CD1-CG2 4.17Å; R381-T385 PolarHBondContact O-N 3.18Å; R381-T385 PolarHBondContact O-OG1 2.92Å; R381-T385 VanDerWaalsContact O-OG1 3.1Å; Q382-T385 WeakPolarHBondContact O-CB 3.18Å; Q382-T385 PolarHBondContact O-N 3.47Å; T383-T385 VanDerWaalsContact C-N 3.35Å; T383-T385 PolarHBondContact O-N 3.22Å; T385-E388 PolarHBondContact O-N 3.24Å; T385-Q389 WeakPolarHBondContact O-CB 3.02Å; T385-Q389 PolarHBondContact O-N 2.8Å
386F98.8Very high96.9Very high0 Ų064 Ų640%033%0.326CS..Hα-helixtrans-66.3-42.1177.4-78.511000112.2F236 F250 A253 T254 L257 L350 V351 L354 Q382 T383 A384 E388 Q389 A390F236-F386 HydrophobicContact CE2-CE2 4.4Å; F250-F386 AromaticContact CE2-CD2 3.78Å; F250-F386 HydrophobicContact CE2-CD2 3.78Å; F250-F386 AromaticContact CE2-CE2 3.5Å; F250-F386 HydrophobicContact CE2-CE2 3.5Å; F250-F386 VanDerWaalsContact CE2-CE2 3.5Å; F250-F386 HydrophobicContact CE2-CZ 4.14Å; F250-F386 HydrophobicContact CZ-CD2 4.18Å; F250-F386 AromaticContact CZ-CE2 3.51Å; F250-F386 HydrophobicContact CZ-CE2 3.51Å; F250-F386 HydrophobicContact CZ-CZ 4.17Å; A253-F386 HydrophobicContact CB-CB 4.12Å; T254-F386 HydrophobicContact CG2-CE2 4.17Å; T254-F386 WeakPolarHBondContact OG1-CD2 3.38Å; T254-F386 WeakPolarHBondContact OG1-CE2 3.46Å; L257-F386 HydrophobicContact CD2-CB 4.14Å; L257-F386 HydrophobicContact CD2-CD1 3.88Å; L257-F386 HydrophobicContact CD2-CD2 4.15Å; L257-F386 HydrophobicContact CD2-CE1 4.27Å; L257-F386 HydrophobicContact CD2-CG 3.8Å; L350-F386 HydrophobicContact CB-CE1 3.99Å; V351-F386 HydrophobicContact CG2-CE1 4.33Å; V351-F386 HydrophobicContact CG2-CE2 4.06Å; V351-F386 HydrophobicContact CG2-CZ 3.74Å; L354-F386 HydrophobicContact CD2-CZ 4.23Å; Q382-F386 HydrophobicContact CG-CE1 4.48Å; Q382-F386 PolarHBondContact O-N 2.88Å; T383-F386 PolarHBondContact O-N 3.2Å; A384-F386 PolarHBondContact O-N 2.92Å; F386-E388 VanDerWaalsContact C-N 3.33Å; F386-E388 PolarHBondContact O-N 3.32Å; F386-Q389 PolarHBondContact O-N 3.38Å; F386-A390 WeakPolarHBondContact O-CB 3.41Å; F386-A390 PolarHBondContact O-N 3.08Å
387I98.7Very high96.7Very high66 Ų6660.7 Ų60.734%0.33832%0.316SS..Hα-helixtrans-61.4-44.3175.4-67.8167.2000110.5A253 T383 A384 A390 K391A253-I387 HydrophobicContact CB-CD1 4.31Å; A253-I387 HydrophobicContact CB-CG1 3.77Å; T383-I387 HydrophobicContact CG2-CD1 4.13Å; T383-I387 WeakPolarHBondContact O-CG1 3.37Å; T383-I387 PolarHBondContact O-N 3.42Å; T383-I387 VanDerWaalsContact O-N 3.08Å; A384-I387 PolarHBondContact O-N 3.14Å; I387-A390 PolarHBondContact O-N 3.5Å; I387-K391 PolarHBondContact O-N 3.35Å
388E98.2Very high96.3Very high91 Ų9156.3 Ų56.343%0.42529%0.292SS..Hα-helixtrans-68.5-43-179.4-165.957.5-153.400111.8A384 T385 F386 A390 K391 V392A384-E388 WeakPolarHBondContact O-CB 3.29Å; A384-E388 PolarHBondContact O-N 3.25Å; T385-E388 PolarHBondContact O-N 3.24Å; F386-E388 VanDerWaalsContact C-N 3.33Å; F386-E388 PolarHBondContact O-N 3.32Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.22Å; E388-K391 WeakPolarHBondContact O-CA 3.39Å; E388-K391 WeakPolarHBondContact O-CB 3.07Å; E388-K391 PolarHBondContact O-N 3.42Å; E388-K391 IonicContact OE2-NZ 3.04Å; E388-K391 PolarHBondContact OE2-NZ 2.88Å; E388-V392 WeakPolarHBondContact O-CG2 3.44Å; E388-V392 PolarHBondContact O-N 2.82Å
389Q98.3Very high95.7Very high21 Ų2160.6 Ų60.610%0.09831%0.313CS..Hα-helixtrans-60.6-36.2175.7-172.663.439.400111.9L257 E343 A347 L350 T385 F386 K391 V392 L393L257-Q389 HydrophobicContact CD1-CB 3.89Å; L257-Q389 HydrophobicContact CD1-CG 3.79Å; E343-Q389 PolarHBondContact OE2-NE2 3.3Å; A347-Q389 HydrophobicContact CB-CG 3.85Å; L350-Q389 HydrophobicContact CD1-CB 4.3Å; L350-Q389 HydrophobicContact CD1-CG 4.08Å; T385-Q389 WeakPolarHBondContact O-CB 3.02Å; T385-Q389 PolarHBondContact O-N 2.8Å; F386-Q389 PolarHBondContact O-N 3.38Å; Q389-K391 VanDerWaalsContact C-N 3.28Å; Q389-K391 PolarHBondContact O-N 3.24Å; Q389-V392 PolarHBondContact O-N 3.1Å; Q389-L393 WeakPolarHBondContact O-CG 3.49Å; Q389-L393 PolarHBondContact O-N 2.88Å
390A98.4Very high95Very high14 Ų1462.3 Ų62.312%0.11632%0.322CS..Hα-helixtrans-63.9-32.1174.400000112.6L257 A260 F386 I387 E388L257-A390 HydrophobicContact CD1-CB 4.16Å; A260-A390 HydrophobicContact CB-CB 4.33Å; F386-A390 WeakPolarHBondContact O-CB 3.41Å; F386-A390 PolarHBondContact O-N 3.08Å; I387-A390 PolarHBondContact O-N 3.5Å; E388-A390 VanDerWaalsContact C-N 3.25Å; E388-A390 PolarHBondContact O-N 3.22Å
391K97.6Very high93.6Very high109 Ų10961.5 Ų61.547%0.47432%0.321SS..Hα-helixtrans-73.3-43172.7-61.9176.9-159.2154.10111.9I387 E388 Q389 L393 Q394 E395I387-K391 PolarHBondContact O-N 3.35Å; E388-K391 WeakPolarHBondContact O-CA 3.39Å; E388-K391 WeakPolarHBondContact O-CB 3.07Å; E388-K391 PolarHBondContact O-N 3.42Å; E388-K391 IonicContact OE2-NZ 3.04Å; E388-K391 PolarHBondContact OE2-NZ 2.88Å; Q389-K391 VanDerWaalsContact C-N 3.28Å; Q389-K391 PolarHBondContact O-N 3.24Å; K391-L393 PolarHBondContact O-N 2.81Å; K391-Q394 WeakPolarHBondContact O-CA 3.5Å; K391-Q394 VanDerWaalsContact O-CB 3.31Å; K391-Q394 WeakPolarHBondContact O-CB 3.36Å; K391-Q394 PolarHBondContact O-N 2.75Å; K391-E395 PolarHBondContact O-N 2.8Å
392V95.1Very high91.5Very high35 Ų3558.8 Ų58.821%0.21232%0.324CS..Hα-helixtrans-58.1-38.7177.8173.70000110.9E343 E388 Q389 Q394 E395E343-V392 HydrophobicContact CG-CG1 3.94Å; E343-V392 WeakPolarHBondContact OE2-CG1 3.4Å; E388-V392 WeakPolarHBondContact O-CG2 3.44Å; E388-V392 PolarHBondContact O-N 2.82Å; Q389-V392 PolarHBondContact O-N 3.1Å; V392-Q394 PolarHBondContact O-N 3.18Å; V392-E395 WeakPolarHBondContact O-CB 3.38Å; V392-E395 PolarHBondContact O-N 2.67Å
393L96.6Very high89.1Confident5 Ų566.1 Ų66.13%0.02636%0.362CS..THydrogen-bonded Turntrans-59.4-24.3173.8-81.4158.7000114.1L257 A260 V261 H264 E343 P344 A347 Q389 K391L257-L393 HydrophobicContact CD1-CD1 3.78Å; A260-L393 HydrophobicContact CB-CB 4.15Å; A260-L393 HydrophobicContact CB-CD1 3.86Å; V261-L393 HydrophobicContact CG2-CD1 3.6Å; H264-L393 HydrophobicContact CB-CD2 4.43Å; H264-L393 PolarHBondContact CD2-O 3.2Å; H264-L393 PolarHBondContact CE1-O 2.92Å; H264-L393 PolarHBondContact NE2-O 2.66Å; H264-L393 VanDerWaalsContact NE2-O 3.14Å; E343-L393 HydrophobicContact CB-CD2 3.61Å; E343-L393 HydrophobicContact CB-CG 4.08Å; P344-L393 HydrophobicContact CG-CD2 3.88Å; A347-L393 HydrophobicContact CB-CD1 4.13Å; Q389-L393 WeakPolarHBondContact O-CG 3.49Å; Q389-L393 PolarHBondContact O-N 2.88Å; K391-L393 PolarHBondContact O-N 2.81Å
394Q93.6Very high86.3Confident136 Ų13668.1 Ų68.164%0.63638%0.38SS*.THydrogen-bonded Turntrans-85.1-12176.6-60.9-75.4-33.500112.7K391 V392K391-Q394 WeakPolarHBondContact O-CA 3.5Å; K391-Q394 VanDerWaalsContact O-CB 3.31Å; K391-Q394 WeakPolarHBondContact O-CB 3.36Å; K391-Q394 PolarHBondContact O-N 2.75Å; V392-Q394 PolarHBondContact O-N 3.18Å
395E92.4Very high83.6Confident83 Ų8371.2 Ų71.239%0.38840%0.398SS..SBendtrans-78155.8175.8-59.9-176.5-179.800110.7K314 K391 V392K314-E395 IonicContact NZ-OE2 2.93Å; K314-E395 PolarHBondContact NZ-OE2 2.99Å; K391-E395 PolarHBondContact O-N 2.8Å; V392-E395 WeakPolarHBondContact O-CB 3.38Å; V392-E395 PolarHBondContact O-N 2.67Å
396P90.4Very high80.9Confident107 Ų10772.4 Ų72.470%0.69542%0.415SS*.PPolyproline II helixtrans-56137.3170.4-23.634000110.8
397P91.5Very high78.7Confident55 Ų5574.6 Ų74.636%0.35743%0.433SS..PPolyproline II helixtrans-63.8158179.725.1-30.9000110.6Q399P397-Q399 PolarHBondContact O-N 3.04Å; P397-Q399 PolarHBondContact O-NE2 3.33Å
398L88.9Confident77.2Confident26 Ų2679.2 Ų79.214%0.13645%0.453CS..PPolyproline II helixtrans-47.5127.9170.8-17364.1000108.6L310 Q317 R318 L321 I339L310-L398 HydrophobicContact CD1-CD2 4.34Å; Q317-L398 HydrophobicContact CB-CD2 4.25Å; R318-L398 HydrophobicContact CB-CD1 4.11Å; L321-L398 HydrophobicContact CD2-CD2 3.77Å; I339-L398 HydrophobicContact CG2-CB 4.05Å; I339-L398 WeakPolarHBondContact CG2-O 3.31Å
399Q84.1Confident76.6Confident116 Ų11676.2 Ų76.254%0.54244%0.438SS..  trans-106133.9176.1-61-62.7-56.100107.1R318 P397R318-Q399 WeakPolarHBondContact CD-O 3.41Å; R318-Q399 WeakPolarHBondContact CG-O 3.15Å; R318-Q399 PolarHBondContact NE-O 3.21Å; P397-Q399 PolarHBondContact O-N 3.04Å; P397-Q399 PolarHBondContact O-NE2 3.33Å
400L82.2Confident76.2Confident37 Ų3780.5 Ų80.519%0.19446%0.458CS..PPolyproline II helixtrans-60.1148.4158.3-55.6-179.9000107.6L321 E322 I325 T336 I339 P402L321-L400 HydrophobicContact CB-CD2 4.42Å; L321-L400 HydrophobicContact CD2-CD2 3.83Å; L321-L400 HydrophobicContact CG-CD2 3.88Å; E322-L400 HydrophobicContact CG-CD2 3.87Å; I325-L400 HydrophobicContact CD1-CD1 3.86Å; I325-L400 HydrophobicContact CD1-CD2 3.89Å; I325-L400 HydrophobicContact CD1-CG 4.47Å; T336-L400 HydrophobicContact CG2-CD1 3.72Å; I339-L400 HydrophobicContact CD1-CD1 3.78Å; I339-L400 HydrophobicContact CD1-CD2 3.77Å; I339-L400 HydrophobicContact CD1-CG 3.48Å; I339-L400 VanDerWaalsContact CD1-CG 3.48Å; L400-P402 WeakPolarHBondContact O-CD 3.47Å; L400-P402 VanDerWaalsContact O-N 3.11Å
401T69.1Low75.9Confident78 Ų7883.9 Ų83.948%0.47947%0.474SS..PPolyproline II helixtrans-55.5122.8162.2-47.80000105.3R318 E322 I403R318-T401 WeakPolarHBondContact CD-OG1 3.41Å; E322-T401 WeakPolarHBondContact OE1-CA 3.35Å; E322-T401 WeakPolarHBondContact OE1-CB 3.34Å; E322-T401 PolarHBondContact OE1-N 3.23Å; E322-T401 PolarHBondContact OE1-OG1 3.34Å; T401-I403 PolarHBondContact O-N 2.96Å
402P54.9Low75.7Confident104 Ų10481.1 Ų81.168%0.67548%0.476SS*.PPolyproline II helixtrans-49.3136169.2-17.427000105.8L400 A404L400-P402 WeakPolarHBondContact O-CD 3.47Å; L400-P402 VanDerWaalsContact O-N 3.11Å; P402-A404 WeakPolarHBondContact O-CA 3.45Å; P402-A404 PolarHBondContact O-N 2.87Å
403I46.5Very low75.6Confident176 Ų17684.1 Ų84.190%0.90349%0.486SS*.  trans-54.694.8166.3-60.7170.8000104T401 S405T401-I403 PolarHBondContact O-N 2.96Å; I403-S405 PolarHBondContact O-N 3.06Å
404A40.9Very low75.5Confident57 Ų5784.5 Ų84.547%0.47149%0.488SS..  trans-68110.9-171.500000101.9P402 A406P402-A404 WeakPolarHBondContact O-CA 3.45Å; P402-A404 PolarHBondContact O-N 2.87Å; A404-A406 VanDerWaalsContact C-N 3.26Å; A404-A406 VanDerWaalsContact O-CA 3.3Å; A404-A406 WeakPolarHBondContact O-CA 3.49Å; A404-A406 PolarHBondContact O-N 2.86Å
405S40.3Very low75.6Confident120 Ų12078.3 Ų78.384%0.83946%0.459SS*.SBendtrans-41.6108.9152.6-1710000104.4I403 A407I403-S405 PolarHBondContact O-N 3.06Å; S405-A407 PolarHBondContact O-N 2.58Å
406A42.9Very low75.8Confident85 Ų8576.7 Ų76.770%0.70246%0.455SS*.  trans-29.7110.3-154.100000110.6A404 Q408A404-A406 VanDerWaalsContact C-N 3.26Å; A404-A406 VanDerWaalsContact O-CA 3.3Å; A404-A406 WeakPolarHBondContact O-CA 3.49Å; A404-A406 PolarHBondContact O-N 2.86Å; A406-Q408 PolarHBondContact O-N 3.4Å
407A51.4Low76Confident46 Ų4674.4 Ų74.438%0.3844%0.439SS..  trans-44.5108.7-173.700000108S405 Y409S405-A407 PolarHBondContact O-N 2.58Å; A407-Y409 VanDerWaalsContact C-N 3.29Å; A407-Y409 HydrophobicContact CB-CE1 4.49Å; A407-Y409 WeakPolarHBondContact O-CD2 3.45Å; A407-Y409 WeakPolarHBondContact O-CE2 3.32Å; A407-Y409 PolarHBondContact O-N 3.39Å
408Q67.8Low76.1Confident162 Ų16272.8 Ų72.876%0.75743%0.427SS*.  trans-70.299.4178.8-79.9-172-4.900105.2A406 E410A406-Q408 PolarHBondContact O-N 3.4Å; Q408-E410 PolarHBondContact O-N 2.6Å
409Y86.2Confident76.1Confident28 Ų2880.6 Ų80.611%0.1146%0.463CS..PPolyproline II helixtrans-62.9125.6171-58.6-77.3000108.1A407 Q414 Y415 Q583 D586 T587 Y590A407-Y409 VanDerWaalsContact C-N 3.29Å; A407-Y409 HydrophobicContact CB-CE1 4.49Å; A407-Y409 WeakPolarHBondContact O-CD2 3.45Å; A407-Y409 WeakPolarHBondContact O-CE2 3.32Å; A407-Y409 PolarHBondContact O-N 3.39Å; Y409-Q414 HydrophobicContact CD1-CB 4.03Å; Y409-Q414 HydrophobicContact CD1-CG 3.91Å; Y409-Y415 WeakPolarHBondContact O-CE1 3.32Å; Y409-Y415 PolarHBondContact O-OH 2.85Å; Y409-Q583 HydrophobicContact CE1-CG 4.3Å; Y409-D586 WeakPolarHBondContact OH-CB 3.21Å; Y409-T587 HydrophobicContact CD1-CG2 4.07Å; Y409-T587 WeakPolarHBondContact CD1-OG1 3.15Å; Y409-T587 WeakPolarHBondContact CE1-OG1 3.25Å; Y409-T587 HydrophobicContact CG-CG2 4.25Å; Y409-Y590 VanDerWaalsContact CD2-CB 3.44Å; Y409-Y590 AromaticContact CD2-CD1 3.46Å; Y409-Y590 HydrophobicContact CD2-CD1 3.46Å; Y409-Y590 VanDerWaalsContact CD2-CD1 3.46Å; Y409-Y590 AromaticContact CD2-CD2 3.91Å; Y409-Y590 HydrophobicContact CD2-CD2 3.91Å; Y409-Y590 HydrophobicContact CD2-CE1 4.15Å; Y409-Y590 AromaticContact CD2-CG 3.32Å; Y409-Y590 HydrophobicContact CD2-CG 3.32Å; Y409-Y590 HydrophobicContact CE2-CD1 4.45Å; Y409-Y590 HydrophobicContact CE2-CD2 4.47Å; Y409-Y590 AromaticContact CE2-CG 3.95Å; Y409-Y590 HydrophobicContact CE2-CG 3.95Å; Y409-Y590 AromaticContact CG-CD1 3.97Å; Y409-Y590 HydrophobicContact CG-CD1 3.97Å; Y409-Y590 HydrophobicContact CG-CE1 4.47Å; Y409-Y590 HydrophobicContact CG-CG 4.28Å
410E90Very high76.4Confident111 Ų11182.6 Ų82.652%0.51947%0.47SS..PPolyproline II helixtrans-98136.6-173.8-69.3170.3-165.700110.4Q408 K413 Q414Q408-E410 PolarHBondContact O-N 2.6Å; E410-K413 HydrophobicContact CB-CB 3.95Å; E410-K413 PolarHBondContact O-N 3.02Å; E410-K413 VanDerWaalsContact O-N 3.09Å; E410-Q414 PolarHBondContact O-N 3.43Å
411D92.6Very high76.8Confident85 Ų8584.8 Ų84.846%0.45549%0.487SS..BIsolated β-bridgetrans-65.2133.8169-164.3-14.4000109.4K413 Y415 T416 T417D411-K413 VanDerWaalsContact C-N 3.3Å; D411-Y415 CarbonylContact C-O 3.53Å; D411-Y415 WeakPolarHBondContact CA-O 3.38Å; D411-Y415 HydrophobicContact CB-CE2 3.81Å; D411-Y415 PolarHBondContact N-OH 3.32Å; D411-T416 VanDerWaalsContact OD1-CA 3.3Å; D411-T416 WeakPolarHBondContact OD1-CA 3.46Å; D411-T417 PolarHBondContact OD1-N 3.39Å; D411-T417 WeakPolarHBondContact OD2-CB 3.3Å; D411-T417 PolarHBondContact OD2-OG1 3.33Å
412G91.8Very high77.9Confident51 Ų5182.2 Ų82.253%0.52647%0.47SS..THydrogen-bonded Turntrans88.3-16.3-169.600000114.3Y415 N568G412-Y415 PolarHBondContact N-O 3.01Å; G412-N568 PolarHBondContact O-ND2 3.21Å
413K93.5Very high79.4Confident98 Ų9882.1 Ų82.143%0.42648%0.479SS..THydrogen-bonded Turntrans-104.2-84.5179.5-168.6175-178.41790111.2E410 D411 N568 G571E410-K413 HydrophobicContact CB-CB 3.95Å; E410-K413 PolarHBondContact O-N 3.02Å; E410-K413 VanDerWaalsContact O-N 3.09Å; D411-K413 VanDerWaalsContact C-N 3.3Å; K413-N568 WeakPolarHBondContact O-CB 3.43Å; K413-N568 PolarHBondContact O-ND2 2.93Å; K413-G571 WeakPolarHBondContact CG-O 3.4Å; K413-G571 VanDerWaalsContact O-CA 3.3Å; K413-G571 WeakPolarHBondContact O-CA 3.21Å
414Q94.8Very high81.3Confident13 Ų1377.9 Ų77.96%0.06148%0.478CS..THydrogen-bonded Turntrans-81.3-19.3-178.5-62.688.1-4.400113.2Y409 E410 N568 M572 T587Y409-Q414 HydrophobicContact CD1-CB 4.03Å; Y409-Q414 HydrophobicContact CD1-CG 3.91Å; E410-Q414 PolarHBondContact O-N 3.43Å; Q414-N568 PolarHBondContact O-N 2.8Å; Q414-M572 HydrophobicContact CB-CE 4.21Å; Q414-M572 HydrophobicContact CB-CG 4.42Å; Q414-M572 HydrophobicContact CG-CG 4.22Å; Q414-M572 WeakPolarHBondContact O-CE 3.2Å; Q414-T587 HydrophobicContact CB-CG2 3.84Å
415Y96.1Very high83.5Confident7 Ų776.5 Ų76.53%0.02747%0.467CS..EExtended strand (participates in β ladder)trans-148.6166.7172.767-82.6000110.3Y409 D411 G412 Y565 Q566 T587 Y590 L591 K594Y409-Y415 WeakPolarHBondContact O-CE1 3.32Å; Y409-Y415 PolarHBondContact O-OH 2.85Å; D411-Y415 CarbonylContact C-O 3.53Å; D411-Y415 WeakPolarHBondContact CA-O 3.38Å; D411-Y415 HydrophobicContact CB-CE2 3.81Å; D411-Y415 PolarHBondContact N-OH 3.32Å; G412-Y415 PolarHBondContact N-O 3.01Å; Y415-Y565 AromaticContact CD2-CD1 3.82Å; Y415-Y565 HydrophobicContact CD2-CD1 3.82Å; Y415-Y565 HydrophobicContact CD2-CG 4.26Å; Y415-Y565 AromaticContact CE2-CD1 3.84Å; Y415-Y565 HydrophobicContact CE2-CD1 3.84Å; Y415-Y565 HydrophobicContact CE2-CE1 4.23Å; Y415-Q566 CarbonylContact C-O 3.59Å; Y415-Q566 WeakPolarHBondContact CA-O 3.45Å; Y415-Q566 VanDerWaalsContact CB-O 3.28Å; Y415-Q566 WeakPolarHBondContact CB-O 3.27Å; Y415-T587 HydrophobicContact CD1-CG2 4.28Å; Y415-Y590 HydrophobicContact CE1-CE1 4.21Å; Y415-L591 HydrophobicContact CD1-CD1 4.14Å; Y415-L591 HydrophobicContact CD1-CD2 3.79Å; Y415-L591 HydrophobicContact CD1-CG 4.32Å; Y415-L591 HydrophobicContact CD2-CD1 4.37Å; Y415-L591 HydrophobicContact CD2-CD2 3.84Å; Y415-L591 HydrophobicContact CE1-CD2 3.85Å; Y415-L591 HydrophobicContact CE2-CD2 3.91Å; Y415-L591 HydrophobicContact CG-CD1 3.81Å; Y415-L591 HydrophobicContact CG-CD2 3.8Å; Y415-L591 HydrophobicContact CG-CG 4.34Å; Y415-K594 PolarHBondContact OH-NZ 3.41Å
416T95.7Very high86Confident48 Ų4872 Ų7229%0.29444%0.435SS..EExtended strand (participates in β ladder)trans-123.4132.6169.653.40000109.8D411 Q566D411-T416 VanDerWaalsContact OD1-CA 3.3Å; D411-T416 WeakPolarHBondContact OD1-CA 3.46Å; T416-Q566 PolarHBondContact N-O 2.93Å; T416-Q566 PolarHBondContact O-N 2.69Å
417T95.5Very high88.5Confident59 Ų5971.7 Ų71.736%0.36242%0.419SS..EExtended strand (participates in β ladder)trans-70133169.8-60.10000110.3D411 Y565D411-T417 PolarHBondContact OD1-N 3.39Å; D411-T417 WeakPolarHBondContact OD2-CB 3.3Å; D411-T417 PolarHBondContact OD2-OG1 3.33Å; T417-Y565 HydrophobicContact CG2-CD1 4.42Å; T417-Y565 HydrophobicContact CG2-CE1 4.36Å
418L92.7Very high90.7Very high22 Ų2269.5 Ų69.512%0.11540%0.401CS..  trans-68.9132.3175.8-60.2-177.6000110.2K420 F560 K564 Q566L418-K420 PolarHBondContact O-N 2.89Å; L418-K420 VanDerWaalsContact O-N 3.15Å; L418-F560 HydrophobicContact CD1-CD1 4.05Å; L418-F560 HydrophobicContact CD1-CE1 4.39Å; L418-F560 HydrophobicContact CD2-CD1 4.2Å; L418-F560 HydrophobicContact CD2-CE1 3.93Å; L418-K564 WeakPolarHBondContact CG-O 3.38Å; L418-K564 PolarHBondContact N-O 2.79Å; L418-Q566 HydrophobicContact CD2-CB 4.07Å
419E89.4Confident92.1Very high190 Ų19062 Ų6289%0.88837%0.366SS*.SBendtrans-55.6-33.2174.8-64.9-176.1176.400112.4
420K89.9Confident92.7Very high157 Ų15760.7 Ų60.768%0.68336%0.361SS*.SBendtrans-128104.7175.5-65.7-178.4-174.3175.90109.5L418L418-K420 PolarHBondContact O-N 2.89Å; L418-K420 VanDerWaalsContact O-N 3.15Å
421P91.3Very high93.1Very high84 Ų8455.4 Ų55.455%0.54534%0.336SS..  trans-59.1138.9171.9-26.836000112.3G563 K564P421-G563 CarbonylContact C-O 3.46Å; P421-G563 VanDerWaalsContact CA-O 3.24Å; P421-G563 WeakPolarHBondContact CA-O 3.39Å; P421-K564 HydrophobicContact CB-CG 4.09Å; P421-K564 HydrophobicContact CG-CG 4.46Å
422V91.8Very high93.4Very high23 Ų2351.7 Ų51.714%0.13932%0.316CS..  trans-95.2106.9178.4-177.80000109.3A425 D550 V551 G563V422-A425 HydrophobicContact CB-CB 4.31Å; V422-A425 HydrophobicContact CG1-CB 4.15Å; V422-D550 HydrophobicContact CG1-CB 3.83Å; V422-D550 HydrophobicContact CG2-CB 4.04Å; V422-V551 HydrophobicContact CG2-CG1 3.94Å; V422-G563 PolarHBondContact N-O 2.98Å
423A87.2Confident93.7Very high103 Ų10349.2 Ų49.285%0.85129%0.291SS*.THydrogen-bonded Turntrans-67.7136.5178.400000111.6A425A423-A425 VanDerWaalsContact C-N 3.25Å; A423-A425 PolarHBondContact O-N 3.42Å
424G85Confident93.9Very high87 Ų8744.6 Ų44.690%0.89727%0.27SS*.THydrogen-bonded Turntrans75.58.2177.900000114.9
425A88.9Confident94.1Very high28 Ų2847 Ų4723%0.23128%0.281CS..  trans-61.7151.4169.900000111.1V422 A423V422-A425 HydrophobicContact CB-CB 4.31Å; V422-A425 HydrophobicContact CG1-CB 4.15Å; A423-A425 VanDerWaalsContact C-N 3.25Å; A423-A425 PolarHBondContact O-N 3.42Å
426P92.5Very high94.1Very high26 Ų2646.9 Ų46.917%0.16928%0.281CS..  trans-53.1150.1169-2332.6000112.1V428 L429 T463 Y465P426-V428 VanDerWaalsContact C-N 3.34Å; P426-V428 PolarHBondContact O-N 3.33Å; P426-L429 HydrophobicContact CB-CB 4.26Å; P426-L429 HydrophobicContact CG-CB 4.44Å; P426-L429 HydrophobicContact CG-CD1 4.43Å; P426-T463 HydrophobicContact CG-CG2 4.24Å; P426-Y465 HydrophobicContact CG-CE2 4.5Å
427Q94Very high94.1Very high78 Ų7848.4 Ų48.436%0.36429%0.292SS..SBendtrans-61.4-43-177.1-67.9175.9-80.200112V460 V561 N562Q427-V460 HydrophobicContact CB-CG1 4.01Å; Q427-V561 CarbonylContact O-C 3.57Å; Q427-V561 VanDerWaalsContact O-CA 3.31Å; Q427-V561 WeakPolarHBondContact O-CA 3.4Å; Q427-N562 PolarHBondContact O-N 3.16Å
428V97.8Very high94Very high0 Ų051.3 Ų51.30%030%0.301CS..EExtended strand (participates in β ladder)trans-129.8118.2169.7-177.70000107.4P426 V452 L456 V460 K461 M462 T463 M559 F560 V588P426-V428 VanDerWaalsContact C-N 3.34Å; P426-V428 PolarHBondContact O-N 3.33Å; V428-V452 HydrophobicContact CG1-CG1 4.46Å; V428-L456 HydrophobicContact CG2-CD1 4.28Å; V428-L456 HydrophobicContact CG2-CD2 3.85Å; V428-V460 HydrophobicContact CG2-CG1 4.07Å; V428-K461 PolarHBondContact N-O 3.48Å; V428-M462 HydrophobicContact CB-CB 4.31Å; V428-M462 HydrophobicContact CB-CG 4.31Å; V428-M462 HydrophobicContact CG1-CB 4.42Å; V428-M462 HydrophobicContact CG1-CG 3.96Å; V428-M462 CarbonylContact O-C 3.49Å; V428-M462 WeakPolarHBondContact O-CA 3.43Å; V428-T463 PolarHBondContact O-N 3.29Å; V428-M559 HydrophobicContact CG1-CG 3.98Å; V428-M559 HydrophobicContact CG1-SD 3.6Å; V428-M559 VanDerWaalsContact CG1-SD 3.6Å; V428-F560 WeakPolarHBondContact CA-O 3.19Å; V428-V588 HydrophobicContact CG1-CG1 3.89Å; V428-V588 HydrophobicContact CG2-CG1 3.94Å
429L97.8Very high94.3Very high3 Ų350.3 Ų50.32%0.01630%0.296CS..EExtended strand (participates in β ladder)trans-122.1118.2-176174.157000110.3P426 F431 T463 Y465 A547 M559 F560P426-L429 HydrophobicContact CB-CB 4.26Å; P426-L429 HydrophobicContact CG-CB 4.44Å; P426-L429 HydrophobicContact CG-CD1 4.43Å; L429-F431 HydrophobicContact CD2-CD2 4.44Å; L429-F431 HydrophobicContact CD2-CE2 3.5Å; L429-F431 HydrophobicContact CD2-CZ 3.57Å; L429-F431 HydrophobicContact CG-CD2 4.25Å; L429-F431 HydrophobicContact CG-CE2 3.78Å; L429-F431 HydrophobicContact CG-CZ 4.13Å; L429-T463 CarbonylContact C-O 3.52Å; L429-T463 WeakPolarHBondContact CA-O 3.41Å; L429-T463 HydrophobicContact CD1-CG2 4.4Å; L429-Y465 HydrophobicContact CD1-CD1 4.39Å; L429-Y465 HydrophobicContact CD1-CD2 3.38Å; L429-Y465 HydrophobicContact CD1-CE2 3.73Å; L429-Y465 HydrophobicContact CD1-CG 3.73Å; L429-Y465 HydrophobicContact CD2-CD2 4.09Å; L429-Y465 HydrophobicContact CD2-CE2 4.18Å; L429-Y465 HydrophobicContact CG-CD2 4.36Å; L429-A547 HydrophobicContact CD2-CB 4.28Å; L429-M559 CarbonylContact O-C 3.52Å; L429-M559 VanDerWaalsContact O-CA 3.29Å; L429-M559 WeakPolarHBondContact O-CA 3.45Å; L429-F560 PolarHBondContact N-O 3.28Å; L429-F560 PolarHBondContact O-N 2.96Å
430E98.4Very high94.6Very high2 Ų243 Ų431%0.00926%0.261CS..EExtended strand (participates in β ladder)trans-101.9134.4171.4-171.7-165.8147.200110.7S449 M462 T463 K464 Y465 A558 M559E430-S449 PolarHBondContact OE2-OG 2.88Å; E430-M462 HydrophobicContact CB-CE 3.92Å; E430-M462 HydrophobicContact CG-CE 4.48Å; E430-M462 WeakPolarHBondContact OE2-CE 3.5Å; E430-T463 PolarHBondContact N-O 2.87Å; E430-K464 HydrophobicContact CB-CG 4.16Å; E430-K464 CarbonylContact O-C 3.52Å; E430-K464 WeakPolarHBondContact O-CA 3.32Å; E430-K464 WeakPolarHBondContact OE2-CD 3.46Å; E430-K464 WeakPolarHBondContact OE2-CE 3.42Å; E430-K464 IonicContact OE2-NZ 3.78Å; E430-Y465 PolarHBondContact O-N 3.2Å; E430-A558 CarbonylContact C-O 3.57Å; E430-A558 WeakPolarHBondContact CA-O 3.32Å; E430-M559 HydrophobicContact CB-CE 4.25Å; E430-M559 HydrophobicContact CG-CE 4.25Å
431F98.6Very high94.8Very high0 Ų040.1 Ų40.10%025%0.25CC..EExtended strand (participates in β ladder)trans-106131.6166.4-69.4-83.5000110.5L429 Y465 V467 A547 A548 V551 L553 V556 P557 A558 F560L429-F431 HydrophobicContact CD2-CD2 4.44Å; L429-F431 HydrophobicContact CD2-CE2 3.5Å; L429-F431 HydrophobicContact CD2-CZ 3.57Å; L429-F431 HydrophobicContact CG-CD2 4.25Å; L429-F431 HydrophobicContact CG-CE2 3.78Å; L429-F431 HydrophobicContact CG-CZ 4.13Å; F431-Y465 VanDerWaalsContact CA-O 3.31Å; F431-Y465 WeakPolarHBondContact CA-O 3.37Å; F431-Y465 AromaticContact CE1-CD2 3.97Å; F431-Y465 HydrophobicContact CE1-CD2 3.97Å; F431-Y465 HydrophobicContact CE1-CG 4.43Å; F431-Y465 HydrophobicContact CZ-CD2 4.28Å; F431-V467 HydrophobicContact CB-CG1 4.08Å; F431-V467 HydrophobicContact CD1-CG1 3.89Å; F431-V467 HydrophobicContact CG-CG1 4.4Å; F431-A547 HydrophobicContact CE1-CB 4.27Å; F431-A547 HydrophobicContact CZ-CB 3.86Å; F431-A548 HydrophobicContact CD1-CB 4.33Å; F431-A548 HydrophobicContact CE1-CB 3.74Å; F431-A548 HydrophobicContact CZ-CB 4.22Å; F431-V551 HydrophobicContact CE2-CG2 3.83Å; F431-V551 HydrophobicContact CZ-CG2 4.21Å; F431-L553 HydrophobicContact CB-CD1 4.28Å; F431-L553 HydrophobicContact CB-CD2 3.63Å; F431-L553 HydrophobicContact CD1-CD2 3.67Å; F431-L553 HydrophobicContact CD2-CD1 4.02Å; F431-L553 HydrophobicContact CD2-CD2 3.97Å; F431-L553 HydrophobicContact CE1-CD2 4.26Å; F431-L553 HydrophobicContact CG-CD1 4.25Å; F431-L553 HydrophobicContact CG-CD2 3.48Å; F431-L553 VanDerWaalsContact CG-CD2 3.48Å; F431-V556 HydrophobicContact CB-CG1 3.79Å; F431-V556 WeakPolarHBondContact O-CG1 3.33Å; F431-P557 WeakPolarHBondContact O-CA 3.25Å; F431-A558 PolarHBondContact N-O 3.4Å; F431-A558 PolarHBondContact O-N 2.8Å; F431-A558 VanDerWaalsContact O-N 3.08Å; F431-F560 AromaticContact CD2-CD2 3.81Å; F431-F560 HydrophobicContact CD2-CD2 3.81Å; F431-F560 AromaticContact CD2-CE2 3.66Å; F431-F560 HydrophobicContact CD2-CE2 3.66Å; F431-F560 AromaticContact CE2-CD2 3.86Å; F431-F560 HydrophobicContact CE2-CD2 3.86Å; F431-F560 AromaticContact CE2-CE2 3.87Å; F431-F560 HydrophobicContact CE2-CE2 3.87Å
432F98.6Very high94.9Very high6 Ų636.7 Ų36.73%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-141.6168.9179.578.5-78.9000111.9F434 C439 K464 Y465 H466 V467 W482 F499F432-F434 HydrophobicContact CE2-CD1 4.12Å; F432-F434 HydrophobicContact CE2-CD2 4.18Å; F432-F434 AromaticContact CE2-CE1 3.78Å; F432-F434 HydrophobicContact CE2-CE1 3.78Å; F432-F434 AromaticContact CE2-CE2 3.86Å; F432-F434 HydrophobicContact CE2-CE2 3.86Å; F432-F434 HydrophobicContact CE2-CG 4.31Å; F432-F434 AromaticContact CE2-CZ 3.64Å; F432-F434 HydrophobicContact CE2-CZ 3.64Å; F432-F434 HydrophobicContact CZ-CE1 4.47Å; F432-F434 HydrophobicContact CZ-CE2 4.13Å; F432-F434 AromaticContact CZ-CZ 3.94Å; F432-F434 HydrophobicContact CZ-CZ 3.94Å; F432-C439 HydrophobicContact CB-CB 4.06Å; F432-K464 HydrophobicContact CD1-CB 4.19Å; F432-K464 HydrophobicContact CE1-CB 3.96Å; F432-Y465 WeakPolarHBondContact CD1-O 3.43Å; F432-Y465 PolarHBondContact N-O 3.02Å; F432-H466 HydrophobicContact CE1-CB 4.35Å; F432-H466 HydrophobicContact CZ-CB 4.31Å; F432-H466 WeakPolarHBondContact O-CA 3.47Å; F432-V467 PolarHBondContact O-N 3.48Å; F432-W482 HydrophobicContact CE1-CD2 4.08Å; F432-W482 AromaticContact CE1-CE2 3.63Å; F432-W482 HydrophobicContact CE1-CH2 4.33Å; F432-W482 AromaticContact CE1-CZ2 3.79Å; F432-W482 HydrophobicContact CE1-CZ2 3.79Å; F432-W482 AromaticContact CE1-NE1 3.85Å; F432-W482 AromaticContact CZ-CD2 3.67Å; F432-W482 HydrophobicContact CZ-CD2 3.67Å; F432-W482 AromaticContact CZ-CE2 3.65Å; F432-W482 AromaticContact CZ-CE3 3.83Å; F432-W482 HydrophobicContact CZ-CE3 3.83Å; F432-W482 HydrophobicContact CZ-CG 4.28Å; F432-W482 AromaticContact CZ-CH2 3.93Å; F432-W482 HydrophobicContact CZ-CH2 3.93Å; F432-W482 AromaticContact CZ-CZ2 3.81Å; F432-W482 HydrophobicContact CZ-CZ2 3.81Å; F432-W482 AromaticContact CZ-CZ3 3.96Å; F432-W482 HydrophobicContact CZ-CZ3 3.96Å; F432-F499 HydrophobicContact CD2-CE2 4.31Å; F432-F499 AromaticContact CD2-CZ 3.8Å; F432-F499 HydrophobicContact CD2-CZ 3.8Å; F432-F499 HydrophobicContact CE2-CE2 4.36Å; F432-F499 HydrophobicContact CE2-CZ 4.22Å
433S98.5Very high95.1Very high0 Ų036.3 Ų36.30%022%0.223CC..  trans-137.1138.6166.7-176.60000110.9F435 C436 C439 H466 F499S433-F435 PolarHBondContact O-N 2.85Å; S433-F435 VanDerWaalsContact O-N 3.15Å; S433-F435 PolarHBondContact OG-N 3.31Å; S433-C436 WeakPolarHBondContact O-CB 3.23Å; S433-C436 PolarHBondContact O-N 3.03Å; S433-C439 PolarHBondContact N-SG 3.21Å; S433-H466 WeakPolarHBondContact CA-NE2 3.43Å; S433-H466 PolarHBondContact OG-NE2 2.6Å; S433-F499 WeakPolarHBondContact O-CE1 3.2Å
434F98.5Very high95.3Very high0 Ų033.6 Ų33.60%019%0.192CC..THydrogen-bonded Turntrans-62.1-17.7170.4-67.6-67.2000112.7F432 H466 L478 W482 L498 F499 V502 Q503F432-F434 HydrophobicContact CE2-CD1 4.12Å; F432-F434 HydrophobicContact CE2-CD2 4.18Å; F432-F434 AromaticContact CE2-CE1 3.78Å; F432-F434 HydrophobicContact CE2-CE1 3.78Å; F432-F434 AromaticContact CE2-CE2 3.86Å; F432-F434 HydrophobicContact CE2-CE2 3.86Å; F432-F434 HydrophobicContact CE2-CG 4.31Å; F432-F434 AromaticContact CE2-CZ 3.64Å; F432-F434 HydrophobicContact CE2-CZ 3.64Å; F432-F434 HydrophobicContact CZ-CE1 4.47Å; F432-F434 HydrophobicContact CZ-CE2 4.13Å; F432-F434 AromaticContact CZ-CZ 3.94Å; F432-F434 HydrophobicContact CZ-CZ 3.94Å; F434-H466 AromaticContact CD2-CD2 3.44Å; F434-H466 VanDerWaalsContact CD2-CD2 3.44Å; F434-H466 WeakPolarHBondContact CD2-CD2 3.27Å; F434-H466 AromaticContact CD2-NE2 3.6Å; F434-H466 AromaticContact CE2-CD2 3.89Å; F434-H466 PolarHBondContact N-NE2 2.86Å; F434-H466 VanDerWaalsContact N-NE2 3.2Å; F434-L478 HydrophobicContact CB-CD1 4.18Å; F434-L478 HydrophobicContact CD2-CB 4.24Å; F434-L478 HydrophobicContact CD2-CD2 3.96Å; F434-L478 HydrophobicContact CD2-CG 4.47Å; F434-W482 HydrophobicContact CE2-CE3 4.02Å; F434-W482 AromaticContact CZ-CE3 3.7Å; F434-W482 HydrophobicContact CZ-CE3 3.7Å; F434-W482 AromaticContact CZ-CZ3 3.91Å; F434-W482 HydrophobicContact CZ-CZ3 3.91Å; F434-L498 HydrophobicContact CD1-CB 3.67Å; F434-L498 HydrophobicContact CD2-CB 4.42Å; F434-L498 HydrophobicContact CE1-CB 3.47Å; F434-L498 VanDerWaalsContact CE1-CB 3.47Å; F434-L498 HydrophobicContact CE1-CD1 4.11Å; F434-L498 HydrophobicContact CE1-CG 4.44Å; F434-L498 HydrophobicContact CE2-CB 4.24Å; F434-L498 HydrophobicContact CE2-CD1 3.76Å; F434-L498 HydrophobicContact CG-CB 4.16Å; F434-L498 HydrophobicContact CZ-CB 3.77Å; F434-L498 HydrophobicContact CZ-CD1 3.5Å; F434-L498 HydrophobicContact CZ-CG 4.29Å; F434-F499 HydrophobicContact CD1-CB 4.31Å; F434-F499 AromaticContact CD1-CD1 3.87Å; F434-F499 HydrophobicContact CD1-CD1 3.87Å; F434-F499 AromaticContact CD1-CD2 3.8Å; F434-F499 HydrophobicContact CD1-CD2 3.8Å; F434-F499 HydrophobicContact CD1-CE1 4.11Å; F434-F499 HydrophobicContact CD1-CE2 4.04Å; F434-F499 AromaticContact CD1-CG 3.71Å; F434-F499 HydrophobicContact CD1-CG 3.71Å; F434-F499 HydrophobicContact CD1-CZ 4.18Å; F434-F499 AromaticContact CE1-CD2 3.87Å; F434-F499 HydrophobicContact CE1-CD2 3.87Å; F434-F499 HydrophobicContact CE1-CE2 4.05Å; F434-F499 HydrophobicContact CE1-CG 4.22Å; F434-V502 HydrophobicContact CB-CG2 4.25Å; F434-V502 WeakPolarHBondContact O-CG1 3.29Å; F434-Q503 VanDerWaalsContact O-CG 3.27Å; F434-Q503 WeakPolarHBondContact O-CG 3.13Å; F434-Q503 PolarHBondContact O-NE2 3.08Å
435F97.5Very high95.5Very high63 Ų6333.4 Ų33.428%0.27617%0.173SC..THydrogen-bonded Turntrans-87.2-6.1172.7-79.6-80000114.4S433 P437 M470 G471 L474 L478 V502S433-F435 PolarHBondContact O-N 2.85Å; S433-F435 VanDerWaalsContact O-N 3.15Å; S433-F435 PolarHBondContact OG-N 3.31Å; F435-P437 WeakPolarHBondContact O-CD 3.37Å; F435-M470 HydrophobicContact CB-CB 4.19Å; F435-M470 HydrophobicContact CB-CE 4.39Å; F435-G471 VanDerWaalsContact CE2-CA 3.45Å; F435-L474 HydrophobicContact CE2-CB 4.42Å; F435-L474 HydrophobicContact CE2-CG 4.39Å; F435-L474 HydrophobicContact CZ-CB 4.28Å; F435-L474 HydrophobicContact CZ-CD2 3.99Å; F435-L474 HydrophobicContact CZ-CG 4.2Å; F435-L478 HydrophobicContact CD2-CD1 3.95Å; F435-L478 HydrophobicContact CE2-CD1 3.52Å; F435-L478 HydrophobicContact CZ-CD1 4.43Å; F435-V502 HydrophobicContact CD1-CG1 3.5Å; F435-V502 HydrophobicContact CD2-CG1 4.25Å; F435-V502 HydrophobicContact CE1-CG1 3.57Å; F435-V502 HydrophobicContact CE2-CG1 4.31Å; F435-V502 HydrophobicContact CG-CG1 3.87Å; F435-V502 HydrophobicContact CZ-CG1 4Å
436C97.3Very high95.6Very high6 Ų633.7 Ų33.74%0.04117%0.171CC..  trans-94.7115.6-176.8179.70000111.2S433 H438 C439 Y440 M470 Q503 V556S433-C436 WeakPolarHBondContact O-CB 3.23Å; S433-C436 PolarHBondContact O-N 3.03Å; C436-H438 VanDerWaalsContact C-N 3.27Å; C436-H438 PolarHBondContact O-N 3.45Å; C436-C439 HydrophobicContact CB-CB 3.85Å; C436-C439 WeakPolarHBondContact CB-SG 3.2Å; C436-C439 WeakPolarHBondContact O-CB 3.21Å; C436-C439 PolarHBondContact O-N 2.83Å; C436-C439 VanDerWaalsContact O-N 3.08Å; C436-C439 PolarHBondContact SG-N 3.26Å; C436-Y440 PolarHBondContact O-N 3.23Å; C436-M470 HydrophobicContact CB-CE 3.82Å; C436-M470 HydrophobicContact CB-SD 4.01Å; C436-Q503 VanDerWaalsContact C-NE2 3.3Å; C436-Q503 PolarHBondContact O-NE2 3.09Å; C436-V556 HydrophobicContact CB-CG2 3.99Å; C436-V556 PolarHBondContact SG-O 3.09Å
437P95.4Very high95.7Very high79 Ų7936.6 Ų36.651%0.51318%0.182SC..Hα-helixtrans-61.6-34.2177-24.735.7000113.2F435 C439 Y440 Q441F435-P437 WeakPolarHBondContact O-CD 3.37Å; P437-C439 VanDerWaalsContact C-N 3.32Å; P437-C439 PolarHBondContact O-N 3.46Å; P437-Y440 WeakPolarHBondContact O-CB 3.45Å; P437-Y440 PolarHBondContact O-N 2.98Å; P437-Q441 PolarHBondContact O-N 2.99Å
438H94.3Very high95.7Very high121 Ų12132.9 Ų32.956%0.5617%0.165SC*.Hα-helixtrans-68-31.7175.3-65.4-57.6000112.3C436 Q441 F442 P557C436-H438 VanDerWaalsContact C-N 3.27Å; C436-H438 PolarHBondContact O-N 3.45Å; H438-Q441 PolarHBondContact O-N 3.43Å; H438-F442 WeakPolarHBondContact O-CB 3.38Å; H438-F442 PolarHBondContact O-N 3.45Å; H438-P557 HydrophobicContact CB-CG 4.4Å
439C97.4Very high95.6Very high1 Ų132.9 Ų32.91%0.00717%0.165CC..Hα-helixtrans-67.5-38.4172.6-65.10000111.3F432 S433 C436 P437 F442 E443 F499 P557F432-C439 HydrophobicContact CB-CB 4.06Å; S433-C439 PolarHBondContact N-SG 3.21Å; C436-C439 HydrophobicContact CB-CB 3.85Å; C436-C439 WeakPolarHBondContact CB-SG 3.2Å; C436-C439 WeakPolarHBondContact O-CB 3.21Å; C436-C439 PolarHBondContact O-N 2.83Å; C436-C439 VanDerWaalsContact O-N 3.08Å; C436-C439 PolarHBondContact SG-N 3.26Å; P437-C439 VanDerWaalsContact C-N 3.32Å; P437-C439 PolarHBondContact O-N 3.46Å; C439-F442 PolarHBondContact O-N 3.32Å; C439-E443 WeakPolarHBondContact O-CB 3.47Å; C439-E443 PolarHBondContact O-N 2.75Å; C439-F499 HydrophobicContact CB-CE1 4.02Å; C439-F499 HydrophobicContact CB-CZ 3.93Å; C439-P557 VanDerWaalsContact SG-N 3.44Å
440Y96.1Very high95.4Very high37 Ų3735.5 Ų35.515%0.14518%0.179CC..Hα-helixtrans-62.9-45.6174.2-179.5-99.9000111.6C436 P437 F442 E443 E444 V445 F499 E500 K504C436-Y440 PolarHBondContact O-N 3.23Å; P437-Y440 WeakPolarHBondContact O-CB 3.45Å; P437-Y440 PolarHBondContact O-N 2.98Å; Y440-F442 VanDerWaalsContact C-N 3.34Å; Y440-F442 PolarHBondContact O-N 2.84Å; Y440-E443 PolarHBondContact O-N 3.41Å; Y440-E444 HydrophobicContact CD2-CB 4.09Å; Y440-E444 HydrophobicContact CD2-CG 3.86Å; Y440-E444 HydrophobicContact CE1-CB 4.33Å; Y440-E444 HydrophobicContact CE2-CB 3.67Å; Y440-E444 HydrophobicContact CE2-CG 3.56Å; Y440-E444 WeakPolarHBondContact O-CB 3.36Å; Y440-E444 PolarHBondContact O-N 2.97Å; Y440-V445 HydrophobicContact CD1-CG2 4.36Å; Y440-V445 HydrophobicContact CE1-CG2 4.06Å; Y440-F499 HydrophobicContact CD2-CB 3.65Å; Y440-F499 AromaticContact CD2-CD1 3.92Å; Y440-F499 HydrophobicContact CD2-CD1 3.92Å; Y440-F499 HydrophobicContact CD2-CD2 4.41Å; Y440-F499 AromaticContact CD2-CG 3.77Å; Y440-F499 HydrophobicContact CD2-CG 3.77Å; Y440-F499 HydrophobicContact CE2-CB 4.05Å; Y440-F499 HydrophobicContact CG-CD1 4.45Å; Y440-E500 HydrophobicContact CE2-CG 4.37Å; Y440-K504 VanDerWaalsContact OH-CE 3.23Å; Y440-K504 WeakPolarHBondContact OH-CE 2.96Å; Y440-K504 PolarHBondContact OH-NZ 3.47Å
441Q93.5Very high95.1Very high96 Ų9637 Ų3745%0.44919%0.187SC..Iπ-helixtrans-61.2-43.7175-72.8-177.3-30.300112P437 H438 E443 V445 L446P437-Q441 PolarHBondContact O-N 2.99Å; H438-Q441 PolarHBondContact O-N 3.43Å; Q441-E443 VanDerWaalsContact C-N 3.31Å; Q441-E443 PolarHBondContact O-N 3.48Å; Q441-V445 HydrophobicContact CG-CG2 4.42Å; Q441-V445 WeakPolarHBondContact O-CB 3.43Å; Q441-V445 PolarHBondContact O-N 2.78Å; Q441-L446 WeakPolarHBondContact O-CB 3.34Å; Q441-L446 WeakPolarHBondContact O-CG 3.34Å; Q441-L446 PolarHBondContact O-N 2.86Å
442F95Very high94.9Very high12 Ų1237.1 Ų37.15%0.05319%0.187CC..Iπ-helixtrans-59.5-41.9-179.9-169.5-85.8000112.4H438 C439 Y440 H447 I448 P557 M559 Y584H438-F442 WeakPolarHBondContact O-CB 3.38Å; H438-F442 PolarHBondContact O-N 3.45Å; C439-F442 PolarHBondContact O-N 3.32Å; Y440-F442 VanDerWaalsContact C-N 3.34Å; Y440-F442 PolarHBondContact O-N 2.84Å; F442-H447 PolarHBondContact O-N 3.32Å; F442-I448 HydrophobicContact CD1-CB 4.01Å; F442-I448 HydrophobicContact CD1-CG2 4.47Å; F442-I448 HydrophobicContact CD2-CB 4.2Å; F442-I448 HydrophobicContact CD2-CD1 3.38Å; F442-I448 HydrophobicContact CD2-CG1 4.35Å; F442-I448 HydrophobicContact CD2-CG2 4.42Å; F442-I448 HydrophobicContact CE1-CB 3.71Å; F442-I448 HydrophobicContact CE1-CG2 3.71Å; F442-I448 HydrophobicContact CE2-CB 3.9Å; F442-I448 HydrophobicContact CE2-CD1 3.51Å; F442-I448 HydrophobicContact CE2-CG1 4.29Å; F442-I448 HydrophobicContact CE2-CG2 3.63Å; F442-I448 HydrophobicContact CG-CB 4.23Å; F442-I448 HydrophobicContact CG-CD1 3.95Å; F442-I448 HydrophobicContact CZ-CB 3.65Å; F442-I448 HydrophobicContact CZ-CD1 4.2Å; F442-I448 HydrophobicContact CZ-CG2 3.22Å; F442-I448 PolarHBondContact O-N 3.27Å; F442-P557 HydrophobicContact CB-CB 4.39Å; F442-P557 HydrophobicContact CB-CG 4.11Å; F442-P557 HydrophobicContact CD2-CB 4.17Å; F442-P557 HydrophobicContact CD2-CG 3.9Å; F442-P557 HydrophobicContact CG-CB 4.14Å; F442-P557 HydrophobicContact CG-CG 4.12Å; F442-M559 HydrophobicContact CE1-CE 4.14Å; F442-M559 HydrophobicContact CZ-CE 3.98Å; F442-Y584 HydrophobicContact CE2-CD2 4.35Å; F442-Y584 HydrophobicContact CE2-CE1 4.32Å; F442-Y584 AromaticContact CE2-CE2 3.67Å; F442-Y584 HydrophobicContact CE2-CE2 3.67Å; F442-Y584 AromaticContact CE2-CZ 3.67Å; F442-Y584 AromaticContact CZ-CE1 3.88Å; F442-Y584 HydrophobicContact CZ-CE1 3.88Å; F442-Y584 HydrophobicContact CZ-CE2 4.09Å; F442-Y584 AromaticContact CZ-CZ 3.61Å
443E94.2Very high94.7Very high15 Ų1540.9 Ų40.97%0.0720%0.204CC..Iπ-helixtrans-85.3-53.4-176.8-168.166.4-166.600113C439 Y440 Q441 H447 S449 K464 T495 F499C439-E443 WeakPolarHBondContact O-CB 3.47Å; C439-E443 PolarHBondContact O-N 2.75Å; Y440-E443 PolarHBondContact O-N 3.41Å; Q441-E443 VanDerWaalsContact C-N 3.31Å; Q441-E443 PolarHBondContact O-N 3.48Å; E443-H447 WeakPolarHBondContact O-CA 3.4Å; E443-H447 PolarHBondContact O-N 3.5Å; E443-H447 PolarHBondContact O-ND1 3.37Å; E443-S449 WeakPolarHBondContact OE2-CB 3.39Å; E443-S449 PolarHBondContact OE2-OG 3.41Å; E443-K464 IonicContact OE1-NZ 2.79Å; E443-K464 PolarHBondContact OE1-NZ 2.89Å; E443-K464 IonicContact OE2-NZ 3.74Å; E443-K464 PolarHBondContact OE2-NZ 2.73Å; E443-T495 HydrophobicContact CG-CG2 4.21Å; E443-F499 HydrophobicContact CB-CE2 4.31Å; E443-F499 HydrophobicContact CG-CE2 4.45Å
444E92Very high94.4Very high45 Ų4549 Ų4921%0.2124%0.239CC..Iπ-helixtrans-102.9-17.3-163.2-62.7-61.2136.800114.1Y440 H447 V496Y440-E444 HydrophobicContact CD2-CB 4.09Å; Y440-E444 HydrophobicContact CD2-CG 3.86Å; Y440-E444 HydrophobicContact CE1-CB 4.33Å; Y440-E444 HydrophobicContact CE2-CB 3.67Å; Y440-E444 HydrophobicContact CE2-CG 3.56Å; Y440-E444 WeakPolarHBondContact O-CB 3.36Å; Y440-E444 PolarHBondContact O-N 2.97Å; E444-H447 PolarHBondContact O-CE1 2.67Å; E444-H447 VanDerWaalsContact O-CE1 3.32Å; E444-V496 VanDerWaalsContact OE2-CG2 3.27Å; E444-V496 WeakPolarHBondContact OE2-CG2 3.19Å
445V89.8Confident94Very high83 Ų8351.8 Ų51.850%0.50325%0.251SS..Iπ-helixtrans-105.2-43.4179.7-177.20000110.7Y440 Q441Y440-V445 HydrophobicContact CD1-CG2 4.36Å; Y440-V445 HydrophobicContact CE1-CG2 4.06Å; Q441-V445 HydrophobicContact CG-CG2 4.42Å; Q441-V445 WeakPolarHBondContact O-CB 3.43Å; Q441-V445 PolarHBondContact O-N 2.78Å
446L90.1Very high93.8Very high35 Ų3549.9 Ų49.918%0.18324%0.244CC..SBendtrans-99.8-13.6-176.8-58.3-175000113.2Q441 I448 M577 F580 V581Q441-L446 WeakPolarHBondContact O-CB 3.34Å; Q441-L446 WeakPolarHBondContact O-CG 3.34Å; Q441-L446 PolarHBondContact O-N 2.86Å; L446-I448 HydrophobicContact CB-CD1 3.85Å; L446-I448 HydrophobicContact CB-CG1 3.76Å; L446-I448 HydrophobicContact CD1-CD1 3.83Å; L446-I448 PolarHBondContact O-N 2.91Å; L446-I448 VanDerWaalsContact O-N 3.09Å; L446-M577 HydrophobicContact CD1-CG 4.33Å; L446-M577 HydrophobicContact CD1-SD 3.66Å; L446-M577 HydrophobicContact CD2-CE 4.42Å; L446-M577 HydrophobicContact CD2-CG 3.21Å; L446-M577 HydrophobicContact CD2-SD 3.62Å; L446-M577 HydrophobicContact CG-CG 4.37Å; L446-M577 HydrophobicContact CG-SD 4.3Å; L446-F580 HydrophobicContact CD1-CE1 4.45Å; L446-V581 HydrophobicContact CB-CG2 4.12Å
447H94.6Very high93.3Very high87 Ų8751.2 Ų51.240%0.40325%0.252SS..  trans49.537.6-179.5-56.7-66.2000113.4F442 E443 E444 S449 D450 N451F442-H447 PolarHBondContact O-N 3.32Å; E443-H447 WeakPolarHBondContact O-CA 3.4Å; E443-H447 PolarHBondContact O-N 3.5Å; E443-H447 PolarHBondContact O-ND1 3.37Å; E444-H447 PolarHBondContact O-CE1 2.67Å; E444-H447 VanDerWaalsContact O-CE1 3.32Å; H447-S449 PolarHBondContact O-N 2.9Å; H447-D450 PolarHBondContact O-N 3.32Å; H447-N451 PolarHBondContact O-N 3.08Å; H447-N451 PolarHBondContact O-ND2 3.27Å
448I95.1Very high92.9Very high0 Ų057.2 Ų57.20%027%0.274CS..Hα-helixtrans-65.7-43.3-173.2-67.4164.6000110.1F442 L446 D450 N451 V452 F580 V581 Y584F442-I448 HydrophobicContact CD1-CB 4.01Å; F442-I448 HydrophobicContact CD1-CG2 4.47Å; F442-I448 HydrophobicContact CD2-CB 4.2Å; F442-I448 HydrophobicContact CD2-CD1 3.38Å; F442-I448 HydrophobicContact CD2-CG1 4.35Å; F442-I448 HydrophobicContact CD2-CG2 4.42Å; F442-I448 HydrophobicContact CE1-CB 3.71Å; F442-I448 HydrophobicContact CE1-CG2 3.71Å; F442-I448 HydrophobicContact CE2-CB 3.9Å; F442-I448 HydrophobicContact CE2-CD1 3.51Å; F442-I448 HydrophobicContact CE2-CG1 4.29Å; F442-I448 HydrophobicContact CE2-CG2 3.63Å; F442-I448 HydrophobicContact CG-CB 4.23Å; F442-I448 HydrophobicContact CG-CD1 3.95Å; F442-I448 HydrophobicContact CZ-CB 3.65Å; F442-I448 HydrophobicContact CZ-CD1 4.2Å; F442-I448 HydrophobicContact CZ-CG2 3.22Å; F442-I448 PolarHBondContact O-N 3.27Å; L446-I448 HydrophobicContact CB-CD1 3.85Å; L446-I448 HydrophobicContact CB-CG1 3.76Å; L446-I448 HydrophobicContact CD1-CD1 3.83Å; L446-I448 PolarHBondContact O-N 2.91Å; L446-I448 VanDerWaalsContact O-N 3.09Å; I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 PolarHBondContact O-N 3.06Å; I448-N451 PolarHBondContact O-N 3.01Å; I448-V452 HydrophobicContact CG2-CG2 4.23Å; I448-V452 VanDerWaalsContact O-CG2 3.29Å; I448-V452 WeakPolarHBondContact O-CG2 3.29Å; I448-V452 PolarHBondContact O-N 3.43Å; I448-F580 HydrophobicContact CD1-CD1 4.32Å; I448-F580 HydrophobicContact CD1-CE1 3.66Å; I448-V581 HydrophobicContact CG1-CG1 4.4Å; I448-V581 HydrophobicContact CG1-CG2 3.88Å; I448-Y584 HydrophobicContact CG2-CD1 3.58Å; I448-Y584 HydrophobicContact CG2-CD2 4.34Å; I448-Y584 HydrophobicContact CG2-CE1 3.98Å; I448-Y584 HydrophobicContact CG2-CG 3.81Å
449S94.6Very high92.7Very high0 Ų054.5 Ų54.50%028%0.279CS..Hα-helixtrans-58.1-39.8177.8-570000112.7E430 E443 H447 V452 K453 K464E430-S449 PolarHBondContact OE2-OG 2.88Å; E443-S449 WeakPolarHBondContact OE2-CB 3.39Å; E443-S449 PolarHBondContact OE2-OG 3.41Å; H447-S449 PolarHBondContact O-N 2.9Å; S449-V452 PolarHBondContact O-N 3.43Å; S449-K453 VanDerWaalsContact O-CG 3.29Å; S449-K453 WeakPolarHBondContact O-CG 3.29Å; S449-K453 PolarHBondContact O-N 3.22Å; S449-K464 PolarHBondContact OG-NZ 3Å
450D93.4Very high92.4Very high58 Ų5855.8 Ų55.831%0.3129%0.286SS..Hα-helixtrans-73.1-38.9178.6-70.3-21.8000112H447 I448 V452 K453 K454H447-D450 PolarHBondContact O-N 3.32Å; I448-D450 VanDerWaalsContact C-N 3.28Å; I448-D450 PolarHBondContact O-N 3.06Å; D450-V452 VanDerWaalsContact C-N 3.33Å; D450-K453 PolarHBondContact O-N 3.49Å; D450-K453 IonicContact OD1-NZ 3.49Å; D450-K453 PolarHBondContact OD1-NZ 3.06Å; D450-K454 VanDerWaalsContact O-CG 3.27Å; D450-K454 WeakPolarHBondContact O-CG 3.16Å; D450-K454 PolarHBondContact O-N 3Å
451N92.3Very high92.2Very high34 Ų3461.4 Ų61.418%0.18231%0.312CS..Hα-helixtrans-62.3-41.1172.4-81.3-79.7000111.8H447 I448 K454 K455 V581 Q582 A585H447-N451 PolarHBondContact O-N 3.08Å; H447-N451 PolarHBondContact O-ND2 3.27Å; I448-N451 PolarHBondContact O-N 3.01Å; N451-K454 PolarHBondContact O-N 3.21Å; N451-K455 PolarHBondContact O-N 3.19Å; N451-V581 HydrophobicContact CB-CG1 3.81Å; N451-V581 WeakPolarHBondContact ND2-CG1 3.38Å; N451-Q582 PolarHBondContact OD1-NE2 2.81Å; N451-A585 HydrophobicContact CB-CB 4.27Å
452V95.9Very high92.3Very high1 Ų158.5 Ų58.51%0.00630%0.298CS..Hα-helixtrans-59.5-55.8172.7169.60000109.9V428 I448 S449 D450 K454 K455 L456 M462 M559 Y584 A585 V588V428-V452 HydrophobicContact CG1-CG1 4.46Å; I448-V452 HydrophobicContact CG2-CG2 4.23Å; I448-V452 VanDerWaalsContact O-CG2 3.29Å; I448-V452 WeakPolarHBondContact O-CG2 3.29Å; I448-V452 PolarHBondContact O-N 3.43Å; S449-V452 PolarHBondContact O-N 3.43Å; D450-V452 VanDerWaalsContact C-N 3.33Å; V452-K454 VanDerWaalsContact C-N 3.27Å; V452-K454 PolarHBondContact O-N 3.38Å; V452-K455 PolarHBondContact O-N 3.4Å; V452-L456 HydrophobicContact CG1-CD1 4.25Å; V452-L456 HydrophobicContact CG1-CD2 4.38Å; V452-L456 HydrophobicContact CG1-CG 4.18Å; V452-L456 WeakPolarHBondContact O-CG 3.45Å; V452-L456 PolarHBondContact O-N 2.84Å; V452-L456 VanDerWaalsContact O-N 3.08Å; V452-M462 HydrophobicContact CB-SD 4.36Å; V452-M462 HydrophobicContact CG1-SD 3.91Å; V452-M559 HydrophobicContact CG1-SD 4.31Å; V452-M559 HydrophobicContact CG2-CE 4.28Å; V452-M559 HydrophobicContact CG2-SD 4.38Å; V452-Y584 HydrophobicContact CG2-CD1 4.06Å; V452-Y584 HydrophobicContact CG2-CE1 4.41Å; V452-A585 HydrophobicContact CG2-CB 4.14Å; V452-V588 HydrophobicContact CG1-CB 4.21Å; V452-V588 HydrophobicContact CG1-CG1 3.74Å; V452-V588 HydrophobicContact CG1-CG2 4.41Å; V452-V588 HydrophobicContact CG2-CB 4.45Å; V452-V588 HydrophobicContact CG2-CG2 4.08Å
453K93.8Very high92.4Very high85 Ų8559.6 Ų59.637%0.3731%0.306SS..Hα-helixtrans-52.8-42.9-179.7-74.2170.8-171.4167.70112.5S449 D450 K455 M462S449-K453 VanDerWaalsContact O-CG 3.29Å; S449-K453 WeakPolarHBondContact O-CG 3.29Å; S449-K453 PolarHBondContact O-N 3.22Å; D450-K453 PolarHBondContact O-N 3.49Å; D450-K453 IonicContact OD1-NZ 3.49Å; D450-K453 PolarHBondContact OD1-NZ 3.06Å; K453-K455 VanDerWaalsContact C-N 3.31Å; K453-K455 PolarHBondContact O-N 3.15Å; K453-M462 HydrophobicContact CG-CB 4.43Å; K453-M462 HydrophobicContact CG-SD 3.87Å
454K91.6Very high92.6Very high172 Ų17260.1 Ų60.175%0.74831%0.308SS*.Hα-helixtrans-64.5-31.6179.4-73.5172-175.5177.20113.4D450 N451 V452D450-K454 VanDerWaalsContact O-CG 3.27Å; D450-K454 WeakPolarHBondContact O-CG 3.16Å; D450-K454 PolarHBondContact O-N 3Å; N451-K454 PolarHBondContact O-N 3.21Å; V452-K454 VanDerWaalsContact C-N 3.27Å; V452-K454 PolarHBondContact O-N 3.38Å
455K91Very high92.9Very high57 Ų5758.3 Ų58.325%0.24830%0.299CS..Hα-helixtrans-93.9-12.2-177.3-73.4-163.2175.2-177.50114.5N451 V452 K453 A585 D586 K589N451-K455 PolarHBondContact O-N 3.19Å; V452-K455 PolarHBondContact O-N 3.4Å; K453-K455 VanDerWaalsContact C-N 3.31Å; K453-K455 PolarHBondContact O-N 3.15Å; K455-A585 HydrophobicContact CD-CB 3.86Å; K455-A585 HydrophobicContact CG-CB 4.48Å; K455-D586 WeakPolarHBondContact CD-OD1 3.31Å; K455-D586 WeakPolarHBondContact CE-OD1 3.12Å; K455-D586 IonicContact NZ-OD1 3.31Å; K455-D586 PolarHBondContact NZ-OD1 2.88Å; K455-D586 IonicContact NZ-OD2 2.8Å; K455-D586 PolarHBondContact NZ-OD2 3.43Å; K455-K589 WeakPolarHBondContact O-CD 3.4Å
456L91.9Very high93.3Very high24 Ų2454.5 Ų54.513%0.12628%0.276CS..SBendtrans-61.9142-178.7-76.5177000111.5V428 V452 V460 M462 V588V428-L456 HydrophobicContact CG2-CD1 4.28Å; V428-L456 HydrophobicContact CG2-CD2 3.85Å; V452-L456 HydrophobicContact CG1-CD1 4.25Å; V452-L456 HydrophobicContact CG1-CD2 4.38Å; V452-L456 HydrophobicContact CG1-CG 4.18Å; V452-L456 WeakPolarHBondContact O-CG 3.45Å; V452-L456 PolarHBondContact O-N 2.84Å; V452-L456 VanDerWaalsContact O-N 3.08Å; L456-V460 HydrophobicContact CB-CB 4.37Å; L456-V460 HydrophobicContact CD1-CG1 4.28Å; L456-V460 HydrophobicContact CD2-CG1 4Å; L456-M462 HydrophobicContact CD1-CB 4.01Å; L456-V588 HydrophobicContact CD2-CG1 3.9Å
457P87.7Confident93.7Very high33 Ų3353 Ų5321%0.21427%0.268CS..PPolyproline II helixtrans-59.3152.7174-20.931.8000111.9G459 V460 K589 S592 E593P457-G459 PolarHBondContact O-N 2.94Å; P457-V460 HydrophobicContact CB-CG2 3.96Å; P457-V460 HydrophobicContact CG-CG2 4.15Å; P457-V460 WeakPolarHBondContact O-CB 3.2Å; P457-V460 PolarHBondContact O-N 3.33Å; P457-K589 HydrophobicContact CG-CG 4.47Å; P457-S592 WeakPolarHBondContact CD-OG 3.21Å; P457-E593 HydrophobicContact CG-CG 3.83Å; P457-E593 WeakPolarHBondContact CG-OE1 3.43Å
458E87.4Confident93.8Very high205 Ų20551.4 Ų51.496%0.95826%0.263SS*.THydrogen-bonded Turntrans-54.1129.3178.3-166.6178.8178.100111.1V460E458-V460 VanDerWaalsContact C-N 3.35Å; E458-V460 PolarHBondContact O-N 3.37Å
459G88.7Confident93.7Very high65 Ų6556.3 Ų56.367%0.6728%0.284SS*.THydrogen-bonded Turntrans86.2-10-179.200000115.9P457P457-G459 PolarHBondContact O-N 2.94Å
460V92.3Very high93.8Very high27 Ų2758.9 Ų58.916%0.16430%0.297CS..PPolyproline II helixtrans-78.6125.5174.6-179.10000110.1Q427 V428 L456 P457 E458Q427-V460 HydrophobicContact CB-CG1 4.01Å; V428-V460 HydrophobicContact CG2-CG1 4.07Å; L456-V460 HydrophobicContact CB-CB 4.37Å; L456-V460 HydrophobicContact CD1-CG1 4.28Å; L456-V460 HydrophobicContact CD2-CG1 4Å; P457-V460 HydrophobicContact CB-CG2 3.96Å; P457-V460 HydrophobicContact CG-CG2 4.15Å; P457-V460 WeakPolarHBondContact O-CB 3.2Å; P457-V460 PolarHBondContact O-N 3.33Å; E458-V460 VanDerWaalsContact C-N 3.35Å; E458-V460 PolarHBondContact O-N 3.37Å
461K91.5Very high93.8Very high156 Ų15657.8 Ų57.868%0.67830%0.3SS*.PPolyproline II helixtrans-101.9136.9-179.8-66.7-173.9179.3-175.90112.6V428V428-K461 PolarHBondContact N-O 3.48Å
462M95.7Very high93.9Very high34 Ų3458.5 Ų58.517%0.16732%0.315CS..EExtended strand (participates in β ladder)trans-95.5133.3167.6-173.7175.9177.800110.4V428 E430 V452 K453 L456 M559V428-M462 HydrophobicContact CB-CB 4.31Å; V428-M462 HydrophobicContact CB-CG 4.31Å; V428-M462 HydrophobicContact CG1-CB 4.42Å; V428-M462 HydrophobicContact CG1-CG 3.96Å; V428-M462 CarbonylContact O-C 3.49Å; V428-M462 WeakPolarHBondContact O-CA 3.43Å; E430-M462 HydrophobicContact CB-CE 3.92Å; E430-M462 HydrophobicContact CG-CE 4.48Å; E430-M462 WeakPolarHBondContact OE2-CE 3.5Å; V452-M462 HydrophobicContact CB-SD 4.36Å; V452-M462 HydrophobicContact CG1-SD 3.91Å; K453-M462 HydrophobicContact CG-CB 4.43Å; K453-M462 HydrophobicContact CG-SD 3.87Å; L456-M462 HydrophobicContact CD1-CB 4.01Å; M462-M559 HydrophobicContact CE-CE 3.42Å; M462-M559 VanDerWaalsContact CE-CE 3.42Å; M462-M559 HydrophobicContact CE-SD 4.35Å
463T96.5Very high93.9Very high35 Ų3564 Ų6422%0.21534%0.344CS..EExtended strand (participates in β ladder)trans-122.9140.9177.3-58.10000109.1P426 V428 L429 E430 Y465 M486P426-T463 HydrophobicContact CG-CG2 4.24Å; V428-T463 PolarHBondContact O-N 3.29Å; L429-T463 CarbonylContact C-O 3.52Å; L429-T463 WeakPolarHBondContact CA-O 3.41Å; L429-T463 HydrophobicContact CD1-CG2 4.4Å; E430-T463 PolarHBondContact N-O 2.87Å; T463-Y465 HydrophobicContact CG2-CD1 4Å; T463-Y465 HydrophobicContact CG2-CE1 3.43Å; T463-Y465 VanDerWaalsContact CG2-CE1 3.43Å; T463-M486 HydrophobicContact CG2-CE 4.38Å
464K97.9Very high94Very high27 Ų2761.2 Ų61.212%0.11733%0.333CS..EExtended strand (participates in β ladder)trans-118.4134.1176.2-53.9-168.7-179.5-174.30110.9E430 F432 E443 S449 W482E430-K464 HydrophobicContact CB-CG 4.16Å; E430-K464 CarbonylContact O-C 3.52Å; E430-K464 WeakPolarHBondContact O-CA 3.32Å; E430-K464 WeakPolarHBondContact OE2-CD 3.46Å; E430-K464 WeakPolarHBondContact OE2-CE 3.42Å; E430-K464 IonicContact OE2-NZ 3.78Å; F432-K464 HydrophobicContact CD1-CB 4.19Å; F432-K464 HydrophobicContact CE1-CB 3.96Å; E443-K464 IonicContact OE1-NZ 2.79Å; E443-K464 PolarHBondContact OE1-NZ 2.89Å; E443-K464 IonicContact OE2-NZ 3.74Å; E443-K464 PolarHBondContact OE2-NZ 2.73Å; S449-K464 PolarHBondContact OG-NZ 3Å; K464-W482 HydrophobicContact CB-CZ2 3.97Å; K464-W482 PolarHBondContact O-NE1 2.99Å
465Y98.5Very high94.3Very high6 Ų653 Ų532%0.02430%0.298CS..EExtended strand (participates in β ladder)trans-120.9134.9175.8-69.9-19.1000111P426 L429 E430 F431 F432 T463 M486 Q543 Q544 A547P426-Y465 HydrophobicContact CG-CE2 4.5Å; L429-Y465 HydrophobicContact CD1-CD1 4.39Å; L429-Y465 HydrophobicContact CD1-CD2 3.38Å; L429-Y465 HydrophobicContact CD1-CE2 3.73Å; L429-Y465 HydrophobicContact CD1-CG 3.73Å; L429-Y465 HydrophobicContact CD2-CD2 4.09Å; L429-Y465 HydrophobicContact CD2-CE2 4.18Å; L429-Y465 HydrophobicContact CG-CD2 4.36Å; E430-Y465 PolarHBondContact O-N 3.2Å; F431-Y465 VanDerWaalsContact CA-O 3.31Å; F431-Y465 WeakPolarHBondContact CA-O 3.37Å; F431-Y465 AromaticContact CE1-CD2 3.97Å; F431-Y465 HydrophobicContact CE1-CD2 3.97Å; F431-Y465 HydrophobicContact CE1-CG 4.43Å; F431-Y465 HydrophobicContact CZ-CD2 4.28Å; F432-Y465 WeakPolarHBondContact CD1-O 3.43Å; F432-Y465 PolarHBondContact N-O 3.02Å; T463-Y465 HydrophobicContact CG2-CD1 4Å; T463-Y465 HydrophobicContact CG2-CE1 3.43Å; T463-Y465 VanDerWaalsContact CG2-CE1 3.43Å; Y465-M486 HydrophobicContact CD1-CE 4.04Å; Y465-M486 HydrophobicContact CD1-SD 4.22Å; Y465-M486 HydrophobicContact CE1-CE 3.61Å; Y465-M486 HydrophobicContact CE1-SD 4.33Å; Y465-Q543 HydrophobicContact CE2-CG 4.4Å; Y465-Q543 VanDerWaalsContact OH-CD 3.29Å; Y465-Q543 PolarHBondContact OH-NE2 3.37Å; Y465-Q544 HydrophobicContact CD1-CG 3.53Å; Y465-Q544 HydrophobicContact CD2-CG 4.31Å; Y465-Q544 HydrophobicContact CE1-CG 4.17Å; Y465-Q544 HydrophobicContact CG-CB 4.25Å; Y465-Q544 HydrophobicContact CG-CG 3.65Å; Y465-A547 HydrophobicContact CD2-CB 3.7Å; Y465-A547 HydrophobicContact CE2-CB 3.6Å
466H98.6Very high94.6Very high3 Ų355.5 Ų55.51%0.01431%0.309CS..EExtended strand (participates in β ladder)trans-84.3142.5173.3-175.4-86.8000110.2F432 S433 F434 G475 T479 W482 Q544F432-H466 HydrophobicContact CE1-CB 4.35Å; F432-H466 HydrophobicContact CZ-CB 4.31Å; F432-H466 WeakPolarHBondContact O-CA 3.47Å; S433-H466 WeakPolarHBondContact CA-NE2 3.43Å; S433-H466 PolarHBondContact OG-NE2 2.6Å; F434-H466 AromaticContact CD2-CD2 3.44Å; F434-H466 VanDerWaalsContact CD2-CD2 3.44Å; F434-H466 WeakPolarHBondContact CD2-CD2 3.27Å; F434-H466 AromaticContact CD2-NE2 3.6Å; F434-H466 AromaticContact CE2-CD2 3.89Å; F434-H466 PolarHBondContact N-NE2 2.86Å; F434-H466 VanDerWaalsContact N-NE2 3.2Å; H466-G475 PolarHBondContact CE1-O 2.66Å; H466-T479 PolarHBondContact ND1-OG1 3.49Å; H466-W482 HydrophobicContact CB-CB 3.81Å; H466-W482 HydrophobicContact CB-CG 3.89Å; H466-Q544 PolarHBondContact O-OE1 2.61Å
467V98.2Very high94.9Very high4 Ų456.6 Ų56.62%0.02432%0.315CS..  trans-98.1140.8177.6-59.70000112.6F431 F432 F469 L553 V556F431-V467 HydrophobicContact CB-CG1 4.08Å; F431-V467 HydrophobicContact CD1-CG1 3.89Å; F431-V467 HydrophobicContact CG-CG1 4.4Å; F432-V467 PolarHBondContact O-N 3.48Å; V467-F469 HydrophobicContact CB-CD1 3.82Å; V467-F469 HydrophobicContact CB-CE1 3.46Å; V467-F469 VanDerWaalsContact CB-CE1 3.46Å; V467-F469 HydrophobicContact CB-CE2 4.44Å; V467-F469 HydrophobicContact CB-CG 4.46Å; V467-F469 HydrophobicContact CB-CZ 3.81Å; V467-F469 HydrophobicContact CG1-CD1 4.41Å; V467-F469 HydrophobicContact CG1-CE1 3.64Å; V467-F469 HydrophobicContact CG1-CZ 3.97Å; V467-F469 HydrophobicContact CG2-CD1 4.23Å; V467-F469 HydrophobicContact CG2-CD2 4.32Å; V467-F469 HydrophobicContact CG2-CE1 3.8Å; V467-F469 HydrophobicContact CG2-CE2 3.87Å; V467-F469 HydrophobicContact CG2-CG 4.48Å; V467-F469 HydrophobicContact CG2-CZ 3.59Å; V467-L553 HydrophobicContact CG1-CD2 3.46Å; V467-L553 VanDerWaalsContact CG1-CD2 3.46Å; V467-V556 HydrophobicContact CG1-CG1 3.78Å; V467-V556 HydrophobicContact CG2-CG1 3.92Å; V467-V556 HydrophobicContact CG2-CG2 4.14Å
468N96.4Very high95.4Very high53 Ų5355 Ų5528%0.28330%0.304SS..SBendtrans-93.8-1.5-17770.6-0.4000114.4K476 T479 E545N468-K476 HydrophobicContact CB-CG 4.23Å; N468-T479 WeakPolarHBondContact CA-OG1 3.27Å; N468-T479 HydrophobicContact CB-CG2 4.44Å; N468-T479 WeakPolarHBondContact CB-OG1 3.49Å; N468-E545 WeakPolarHBondContact ND2-CG 3.26Å; N468-E545 PolarHBondContact ND2-OE1 3.35Å
469F94.8Very high96Very high103 Ų10345.3 Ų45.345%0.45226%0.259SS..SBendtrans-86.6-1.6-17860.3-109.1000114.2V467 L553 V556V467-F469 HydrophobicContact CB-CD1 3.82Å; V467-F469 HydrophobicContact CB-CE1 3.46Å; V467-F469 VanDerWaalsContact CB-CE1 3.46Å; V467-F469 HydrophobicContact CB-CE2 4.44Å; V467-F469 HydrophobicContact CB-CG 4.46Å; V467-F469 HydrophobicContact CB-CZ 3.81Å; V467-F469 HydrophobicContact CG1-CD1 4.41Å; V467-F469 HydrophobicContact CG1-CE1 3.64Å; V467-F469 HydrophobicContact CG1-CZ 3.97Å; V467-F469 HydrophobicContact CG2-CD1 4.23Å; V467-F469 HydrophobicContact CG2-CD2 4.32Å; V467-F469 HydrophobicContact CG2-CE1 3.8Å; V467-F469 HydrophobicContact CG2-CE2 3.87Å; V467-F469 HydrophobicContact CG2-CG 4.48Å; V467-F469 HydrophobicContact CG2-CZ 3.59Å; F469-L553 HydrophobicContact CE1-CD2 3.93Å; F469-L553 HydrophobicContact CE1-CG 4.36Å; F469-L553 HydrophobicContact CZ-CD2 4.24Å; F469-V556 HydrophobicContact CZ-CG1 4.19Å
470M94.8Very high96.4Very high54 Ų5444.5 Ų44.527%0.26624%0.238SC..SBendtrans-115.5138174.5-64.7-17468.500110.3F435 C436 G475 V556F435-M470 HydrophobicContact CB-CB 4.19Å; F435-M470 HydrophobicContact CB-CE 4.39Å; C436-M470 HydrophobicContact CB-CE 3.82Å; C436-M470 HydrophobicContact CB-SD 4.01Å; M470-G475 VanDerWaalsContact O-CA 3.25Å; M470-G475 WeakPolarHBondContact O-CA 3.49Å; M470-V556 HydrophobicContact SD-CG2 3.59Å; M470-V556 VanDerWaalsContact SD-CG2 3.59Å
471G93.7Very high96.7Very high36 Ų3643.2 Ų43.237%0.37123%0.23SC..SBendtrans89.26.6175.500000116.4F435 G475F435-G471 VanDerWaalsContact CE2-CA 3.45Å; G471-G475 PolarHBondContact O-N 2.9Å
472G94.2Very high97.1Very high49 Ų4936.1 Ų36.151%0.50520%0.199SC..Hα-helixtrans63.7-139.9179.200000112.3L474 G475 K476G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 3.48Å; G472-G475 PolarHBondContact O-N 3.01Å; G472-G475 VanDerWaalsContact O-N 3.11Å; G472-K476 PolarHBondContact O-N 3.17Å
473D96.3Very high97.2Very high115 Ų11534.5 Ų34.562%0.61519%0.191SC*.Hα-helixtrans-65.2-35-179.4-67.9-33.1000112.5G475 K476 D477D473-G475 PolarHBondContact O-N 3.35Å; D473-K476 WeakPolarHBondContact O-CB 3.41Å; D473-K476 PolarHBondContact O-N 3.34Å; D473-K476 IonicContact OD1-NZ 2.8Å; D473-K476 PolarHBondContact OD1-NZ 3.46Å; D473-D477 PolarHBondContact O-N 3.25Å
474L97.1Very high97.3Very high27 Ų2732.8 Ų32.814%0.14118%0.181CC..Hα-helixtrans-64-29.9174.3-16959000111.9F435 G472 K476 D477 L478 I508 I514F435-L474 HydrophobicContact CE2-CB 4.42Å; F435-L474 HydrophobicContact CE2-CG 4.39Å; F435-L474 HydrophobicContact CZ-CB 4.28Å; F435-L474 HydrophobicContact CZ-CD2 3.99Å; F435-L474 HydrophobicContact CZ-CG 4.2Å; G472-L474 VanDerWaalsContact C-N 3.32Å; G472-L474 PolarHBondContact O-N 3.48Å; L474-K476 VanDerWaalsContact C-N 3.35Å; L474-D477 HydrophobicContact CD1-CB 4.41Å; L474-D477 PolarHBondContact O-N 3.08Å; L474-L478 HydrophobicContact CG-CD1 4.48Å; L474-L478 WeakPolarHBondContact O-CB 3.43Å; L474-L478 VanDerWaalsContact O-CG 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.43Å; L474-L478 PolarHBondContact O-N 3.18Å; L474-I508 HydrophobicContact CD1-CG2 4.47Å; L474-I508 HydrophobicContact CD2-CG2 4.44Å; L474-I514 HydrophobicContact CD1-CD1 3.83Å; L474-I514 HydrophobicContact CD1-CG1 4.45Å
475G97.3Very high97.3Very high0 Ų031.5 Ų31.50%018%0.175CC..Hα-helixtrans-64.5-36171.300000113.7H466 M470 G471 G472 D473 T479H466-G475 PolarHBondContact CE1-O 2.66Å; M470-G475 VanDerWaalsContact O-CA 3.25Å; M470-G475 WeakPolarHBondContact O-CA 3.49Å; G471-G475 PolarHBondContact O-N 2.9Å; G472-G475 PolarHBondContact O-N 3.01Å; G472-G475 VanDerWaalsContact O-N 3.11Å; D473-G475 PolarHBondContact O-N 3.35Å; G475-T479 PolarHBondContact O-N 2.99Å; G475-T479 PolarHBondContact O-OG1 2.87Å
476K97.8Very high97.3Very high109 Ų10933.1 Ų33.147%0.47418%0.184SC..Hα-helixtrans-69.7-43.4173.5-59.6172.6-171154.90110.6N468 G472 D473 L474 L478 T479 Q480N468-K476 HydrophobicContact CB-CG 4.23Å; G472-K476 PolarHBondContact O-N 3.17Å; D473-K476 WeakPolarHBondContact O-CB 3.41Å; D473-K476 PolarHBondContact O-N 3.34Å; D473-K476 IonicContact OD1-NZ 2.8Å; D473-K476 PolarHBondContact OD1-NZ 3.46Å; L474-K476 VanDerWaalsContact C-N 3.35Å; K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 2.79Å; K476-T479 WeakPolarHBondContact O-CB 3.38Å; K476-T479 PolarHBondContact O-N 3.27Å; K476-T479 VanDerWaalsContact O-N 3.08Å; K476-Q480 PolarHBondContact O-N 3.4Å
477D98.2Very high97.2Very high47 Ų4735 Ų3525%0.25120%0.2SC..Hα-helixtrans-59.3-41.9175.5-67.8-24.1000111.2D473 L474 T479 Q480 A481 A511 I514 W532D473-D477 PolarHBondContact O-N 3.25Å; L474-D477 HydrophobicContact CD1-CB 4.41Å; L474-D477 PolarHBondContact O-N 3.08Å; D477-T479 VanDerWaalsContact C-N 3.35Å; D477-T479 PolarHBondContact O-N 3.03Å; D477-Q480 PolarHBondContact O-N 3.38Å; D477-A481 WeakPolarHBondContact O-CB 3.38Å; D477-A481 PolarHBondContact O-N 2.96Å; D477-A511 HydrophobicContact CB-CB 4.41Å; D477-I514 HydrophobicContact CB-CD1 3.76Å; D477-W532 HydrophobicContact CB-CH2 4.38Å
478L98.5Very high97.2Very high0 Ų037.1 Ų37.10%021%0.21CC..Hα-helixtrans-66.7-33174.6-75.4163.9000113.1F434 F435 L474 K476 Q480 A481 W482 L498 V502 I514F434-L478 HydrophobicContact CB-CD1 4.18Å; F434-L478 HydrophobicContact CD2-CB 4.24Å; F434-L478 HydrophobicContact CD2-CD2 3.96Å; F434-L478 HydrophobicContact CD2-CG 4.47Å; F435-L478 HydrophobicContact CD2-CD1 3.95Å; F435-L478 HydrophobicContact CE2-CD1 3.52Å; F435-L478 HydrophobicContact CZ-CD1 4.43Å; L474-L478 HydrophobicContact CG-CD1 4.48Å; L474-L478 WeakPolarHBondContact O-CB 3.43Å; L474-L478 VanDerWaalsContact O-CG 3.32Å; L474-L478 WeakPolarHBondContact O-CG 3.43Å; L474-L478 PolarHBondContact O-N 3.18Å; K476-L478 VanDerWaalsContact C-N 3.3Å; K476-L478 PolarHBondContact O-N 2.79Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; L478-A481 PolarHBondContact O-N 2.9Å; L478-W482 WeakPolarHBondContact O-CB 3.5Å; L478-W482 PolarHBondContact O-N 3.21Å; L478-L498 HydrophobicContact CD2-CD2 4.08Å; L478-V502 HydrophobicContact CD1-CG2 3.96Å; L478-I514 HydrophobicContact CD2-CD1 3.72Å; L478-I514 HydrophobicContact CD2-CG1 3.99Å; L478-I514 HydrophobicContact CG-CD1 3.75Å; L478-I514 HydrophobicContact CG-CG1 4.5Å
479T98.5Very high97.2Very high2 Ų237.3 Ų37.31%0.01223%0.225CC..Hα-helixtrans-65.5-40.4173.7-54.80000111.1H466 N468 G475 K476 D477 A483 Q544H466-T479 PolarHBondContact ND1-OG1 3.49Å; N468-T479 WeakPolarHBondContact CA-OG1 3.27Å; N468-T479 HydrophobicContact CB-CG2 4.44Å; N468-T479 WeakPolarHBondContact CB-OG1 3.49Å; G475-T479 PolarHBondContact O-N 2.99Å; G475-T479 PolarHBondContact O-OG1 2.87Å; K476-T479 WeakPolarHBondContact O-CB 3.38Å; K476-T479 PolarHBondContact O-N 3.27Å; K476-T479 VanDerWaalsContact O-N 3.08Å; D477-T479 VanDerWaalsContact C-N 3.35Å; D477-T479 PolarHBondContact O-N 3.03Å; T479-A483 PolarHBondContact O-N 3.42Å; T479-A483 VanDerWaalsContact O-N 3.13Å; T479-Q544 HydrophobicContact CG2-CB 4.49Å; T479-Q544 PolarHBondContact O-NE2 3.4Å; T479-Q544 VanDerWaalsContact O-NE2 3.16Å
480Q98.5Very high97.3Very high48 Ų4833.1 Ų33.122%0.22421%0.208CC..Hα-helixtrans-69.2-40173.7-174.6166.7-15.200112K476 D477 L478 W482 A483 V484 W532 V537 V541K476-Q480 PolarHBondContact O-N 3.4Å; D477-Q480 PolarHBondContact O-N 3.38Å; L478-Q480 VanDerWaalsContact C-N 3.34Å; Q480-W482 VanDerWaalsContact C-N 3.33Å; Q480-W482 PolarHBondContact O-N 3.31Å; Q480-A483 WeakPolarHBondContact O-CB 3.23Å; Q480-A483 PolarHBondContact O-N 3.32Å; Q480-V484 PolarHBondContact O-N 2.93Å; Q480-W532 HydrophobicContact CB-CH2 3.82Å; Q480-W532 HydrophobicContact CB-CZ2 4.28Å; Q480-W532 HydrophobicContact CB-CZ3 4.01Å; Q480-W532 VanDerWaalsContact CD-CE2 3.5Å; Q480-W532 VanDerWaalsContact CD-CZ2 3.48Å; Q480-W532 HydrophobicContact CG-CD2 4.07Å; Q480-W532 HydrophobicContact CG-CE3 3.95Å; Q480-W532 HydrophobicContact CG-CH2 3.81Å; Q480-W532 HydrophobicContact CG-CZ2 3.93Å; Q480-W532 HydrophobicContact CG-CZ3 3.83Å; Q480-W532 VanDerWaalsContact NE2-NE1 3.19Å; Q480-W532 PolarHBondContact NE2-O 3.03Å; Q480-V537 HydrophobicContact CG-CG1 3.91Å; Q480-V541 HydrophobicContact CB-CG2 4.03Å; Q480-V541 HydrophobicContact CG-CG2 4.16Å
481A98.6Very high97.4Very high0 Ų033.3 Ų33.30%021%0.208CC..Hα-helixtrans-63.3-39174.700000112.2D477 L478 A483 V484 A485 I514 F518 W532D477-A481 WeakPolarHBondContact O-CB 3.38Å; D477-A481 PolarHBondContact O-N 2.96Å; L478-A481 PolarHBondContact O-N 2.9Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.46Å; A481-V484 WeakPolarHBondContact O-CA 3.44Å; A481-V484 WeakPolarHBondContact O-CB 3.34Å; A481-V484 PolarHBondContact O-N 2.9Å; A481-V484 VanDerWaalsContact O-N 3.09Å; A481-A485 PolarHBondContact O-N 3.34Å; A481-I514 HydrophobicContact CB-CG2 3.42Å; A481-I514 VanDerWaalsContact CB-CG2 3.42Å; A481-F518 HydrophobicContact CB-CE2 4.11Å; A481-F518 HydrophobicContact CB-CZ 4.36Å; A481-F518 WeakPolarHBondContact O-CZ 3.23Å; A481-W532 HydrophobicContact CB-CZ3 4.05Å
482W98.7Very high97.5Very high6 Ų638.1 Ų38.12%0.02323%0.225CC..Hα-helixtrans-63-40.5173.4-171.2-108000111.7F432 F434 K464 H466 L478 Q480 V484 A485 M486 E491 Q544F432-W482 HydrophobicContact CE1-CD2 4.08Å; F432-W482 AromaticContact CE1-CE2 3.63Å; F432-W482 HydrophobicContact CE1-CH2 4.33Å; F432-W482 AromaticContact CE1-CZ2 3.79Å; F432-W482 HydrophobicContact CE1-CZ2 3.79Å; F432-W482 AromaticContact CE1-NE1 3.85Å; F432-W482 AromaticContact CZ-CD2 3.67Å; F432-W482 HydrophobicContact CZ-CD2 3.67Å; F432-W482 AromaticContact CZ-CE2 3.65Å; F432-W482 AromaticContact CZ-CE3 3.83Å; F432-W482 HydrophobicContact CZ-CE3 3.83Å; F432-W482 HydrophobicContact CZ-CG 4.28Å; F432-W482 AromaticContact CZ-CH2 3.93Å; F432-W482 HydrophobicContact CZ-CH2 3.93Å; F432-W482 AromaticContact CZ-CZ2 3.81Å; F432-W482 HydrophobicContact CZ-CZ2 3.81Å; F432-W482 AromaticContact CZ-CZ3 3.96Å; F432-W482 HydrophobicContact CZ-CZ3 3.96Å; F434-W482 HydrophobicContact CE2-CE3 4.02Å; F434-W482 AromaticContact CZ-CE3 3.7Å; F434-W482 HydrophobicContact CZ-CE3 3.7Å; F434-W482 AromaticContact CZ-CZ3 3.91Å; F434-W482 HydrophobicContact CZ-CZ3 3.91Å; K464-W482 HydrophobicContact CB-CZ2 3.97Å; K464-W482 PolarHBondContact O-NE1 2.99Å; H466-W482 HydrophobicContact CB-CB 3.81Å; H466-W482 HydrophobicContact CB-CG 3.89Å; L478-W482 WeakPolarHBondContact O-CB 3.5Å; L478-W482 PolarHBondContact O-N 3.21Å; Q480-W482 VanDerWaalsContact C-N 3.33Å; Q480-W482 PolarHBondContact O-N 3.31Å; W482-V484 VanDerWaalsContact C-N 3.28Å; W482-V484 PolarHBondContact O-N 2.91Å; W482-A485 HydrophobicContact CE3-CB 4.27Å; W482-A485 WeakPolarHBondContact O-CB 3.42Å; W482-A485 PolarHBondContact O-N 3.26Å; W482-A485 VanDerWaalsContact O-N 3.13Å; W482-M486 WeakPolarHBondContact O-CG 3.48Å; W482-M486 PolarHBondContact O-N 2.99Å; W482-E491 HydrophobicContact CH2-CB 3.67Å; W482-E491 HydrophobicContact CH2-CG 3.82Å; W482-E491 HydrophobicContact CZ2-CB 4.23Å; W482-E491 HydrophobicContact CZ2-CG 3.92Å; W482-E491 HydrophobicContact CZ3-CB 4.17Å; W482-E491 HydrophobicContact CZ3-CG 4.32Å; W482-Q544 VanDerWaalsContact CD1-OE1 3.29Å
483A98.4Very high97.7Very high0 Ų041.5 Ų41.50%023%0.226CC..Hα-helixtrans-61.6-34.5171.400000112.8T479 Q480 A481 A487 V537 L540 V541T479-A483 PolarHBondContact O-N 3.42Å; T479-A483 VanDerWaalsContact O-N 3.13Å; Q480-A483 WeakPolarHBondContact O-CB 3.23Å; Q480-A483 PolarHBondContact O-N 3.32Å; A481-A483 VanDerWaalsContact C-N 3.33Å; A481-A483 PolarHBondContact O-N 3.46Å; A483-A487 WeakPolarHBondContact O-CB 3.35Å; A483-A487 PolarHBondContact O-N 3.43Å; A483-V537 HydrophobicContact CB-CG1 3.9Å; A483-L540 HydrophobicContact CB-CB 3.69Å; A483-L540 WeakPolarHBondContact O-CD1 3.33Å; A483-V541 HydrophobicContact CB-CG2 3.71Å
484V98.6Very high97.7Very high0 Ų036 Ų360%020%0.197CC..Hα-helixtrans-63.9-46.7170.6172.30000110.9Q480 A481 W482 M486 A487 L488 F518 Y528 A531 W532 V537Q480-V484 PolarHBondContact O-N 2.93Å; A481-V484 WeakPolarHBondContact O-CA 3.44Å; A481-V484 WeakPolarHBondContact O-CB 3.34Å; A481-V484 PolarHBondContact O-N 2.9Å; A481-V484 VanDerWaalsContact O-N 3.09Å; W482-V484 VanDerWaalsContact C-N 3.28Å; W482-V484 PolarHBondContact O-N 2.91Å; V484-M486 VanDerWaalsContact C-N 3.32Å; V484-M486 PolarHBondContact O-N 3.19Å; V484-A487 PolarHBondContact O-N 3.21Å; V484-L488 HydrophobicContact CG1-CD1 3.75Å; V484-L488 HydrophobicContact CG1-CG 4.32Å; V484-L488 WeakPolarHBondContact O-CB 3.37Å; V484-L488 WeakPolarHBondContact O-CG 3.48Å; V484-L488 PolarHBondContact O-N 3.19Å; V484-F518 HydrophobicContact CB-CE1 4.45Å; V484-F518 HydrophobicContact CG1-CD1 4.42Å; V484-F518 HydrophobicContact CG1-CE1 3.97Å; V484-Y528 HydrophobicContact CB-CE2 4.5Å; V484-Y528 HydrophobicContact CG1-CD2 3.77Å; V484-Y528 HydrophobicContact CG1-CE2 3.99Å; V484-A531 HydrophobicContact CG1-CB 3.87Å; V484-A531 HydrophobicContact CG2-CB 4.39Å; V484-W532 HydrophobicContact CG2-CB 4.16Å; V484-W532 HydrophobicContact CG2-CE3 3.95Å; V484-V537 HydrophobicContact CB-CG2 4.49Å; V484-V537 HydrophobicContact CG2-CG1 3.98Å; V484-V537 HydrophobicContact CG2-CG2 3.9Å
485A98.6Very high97.8Very high0 Ų035.2 Ų35.20%019%0.193CC..Hα-helixtrans-57.8-45.6177.900000111.7A481 W482 L488 G489 V490 E491 V494 F518A481-A485 PolarHBondContact O-N 3.34Å; W482-A485 HydrophobicContact CE3-CB 4.27Å; W482-A485 WeakPolarHBondContact O-CB 3.42Å; W482-A485 PolarHBondContact O-N 3.26Å; W482-A485 VanDerWaalsContact O-N 3.13Å; A485-L488 PolarHBondContact O-N 3.15Å; A485-G489 PolarHBondContact O-N 2.93Å; A485-V490 HydrophobicContact CB-CG2 4.3Å; A485-V490 PolarHBondContact O-N 3.4Å; A485-V490 VanDerWaalsContact O-N 3.08Å; A485-E491 HydrophobicContact CB-CG 4.15Å; A485-V494 HydrophobicContact CB-CG2 3.79Å; A485-F518 HydrophobicContact CB-CE1 3.98Å; A485-F518 HydrophobicContact CB-CZ 3.97Å
486M97.9Very high97.7Very high40 Ų4037.6 Ų37.620%0.19721%0.207CC..Hα-helixtrans-62-41.8175.3-69.5176.173.500113.3T463 Y465 W482 V484 L488 E491 L540T463-M486 HydrophobicContact CG2-CE 4.38Å; Y465-M486 HydrophobicContact CD1-CE 4.04Å; Y465-M486 HydrophobicContact CD1-SD 4.22Å; Y465-M486 HydrophobicContact CE1-CE 3.61Å; Y465-M486 HydrophobicContact CE1-SD 4.33Å; W482-M486 WeakPolarHBondContact O-CG 3.48Å; W482-M486 PolarHBondContact O-N 2.99Å; V484-M486 VanDerWaalsContact C-N 3.32Å; V484-M486 PolarHBondContact O-N 3.19Å; M486-L488 VanDerWaalsContact C-N 3.29Å; M486-L488 PolarHBondContact O-N 3.14Å; M486-E491 WeakPolarHBondContact CA-OE1 3.45Å; M486-E491 HydrophobicContact CG-CG 4.38Å; M486-L540 HydrophobicContact CB-CD1 4.16Å; M486-L540 HydrophobicContact CE-CD2 4.12Å
487A96.7Very high97.7Very high43 Ų4335 Ų3536%0.35520%0.201SC..Hα-helixtrans-68.3-31.1179.500000112.5A483 V484 V536 V537 L540A483-A487 WeakPolarHBondContact O-CB 3.35Å; A483-A487 PolarHBondContact O-N 3.43Å; V484-A487 PolarHBondContact O-N 3.21Å; A487-V536 HydrophobicContact CB-CG1 4.12Å; A487-V537 HydrophobicContact CB-CG2 3.89Å; A487-L540 HydrophobicContact CB-CD1 4.01Å
488L97.3Very high97.8Very high47 Ų4732.7 Ų32.725%0.24619%0.189CC..Hα-helixtrans-93.6-12.3-179.5-64.2-179.7000113.6V484 A485 M486 V490 I523 E527 A531V484-L488 HydrophobicContact CG1-CD1 3.75Å; V484-L488 HydrophobicContact CG1-CG 4.32Å; V484-L488 WeakPolarHBondContact O-CB 3.37Å; V484-L488 WeakPolarHBondContact O-CG 3.48Å; V484-L488 PolarHBondContact O-N 3.19Å; A485-L488 PolarHBondContact O-N 3.15Å; M486-L488 VanDerWaalsContact C-N 3.29Å; M486-L488 PolarHBondContact O-N 3.14Å; L488-V490 HydrophobicContact CB-CG1 4.19Å; L488-V490 HydrophobicContact CB-CG2 3.92Å; L488-I523 HydrophobicContact CD1-CG2 3.98Å; L488-E527 HydrophobicContact CD1-CG 4.25Å; L488-E527 HydrophobicContact CD2-CG 3.9Å; L488-A531 HydrophobicContact CD1-CB 4.15Å; L488-A531 HydrophobicContact CD2-CB 4.06Å; L488-A531 HydrophobicContact CG-CB 4.1Å
489G96.8Very high97.8Very high57 Ų5732.8 Ų32.859%0.58819%0.19SC*.THydrogen-bonded Turntrans6740-176.500000112.9A485 E491A485-G489 PolarHBondContact O-N 2.93Å; G489-E491 VanDerWaalsContact CA-OE2 3.26Å; G489-E491 WeakPolarHBondContact CA-OE2 3.35Å
490V97.8Very high97.7Very high16 Ų1635.8 Ų35.810%0.09720%0.204CC..  trans-122.418.4-175.3-610000113.3A485 L488 D492 K493 V494 F518 I523A485-V490 HydrophobicContact CB-CG2 4.3Å; A485-V490 PolarHBondContact O-N 3.4Å; A485-V490 VanDerWaalsContact O-N 3.08Å; L488-V490 HydrophobicContact CB-CG1 4.19Å; L488-V490 HydrophobicContact CB-CG2 3.92Å; V490-D492 VanDerWaalsContact C-N 3.3Å; V490-D492 PolarHBondContact O-N 2.95Å; V490-K493 HydrophobicContact CB-CD 4.31Å; V490-K493 HydrophobicContact CG1-CD 4.36Å; V490-K493 WeakPolarHBondContact O-CB 3.23Å; V490-K493 PolarHBondContact O-N 3.29Å; V490-V494 PolarHBondContact O-N 3.29Å; V490-F518 HydrophobicContact CG2-CD1 4.41Å; V490-F518 HydrophobicContact CG2-CE1 4.16Å; V490-I523 HydrophobicContact CB-CD1 4.25Å; V490-I523 HydrophobicContact CB-CG1 4.4Å; V490-I523 HydrophobicContact CG1-CD1 4.4Å; V490-I523 HydrophobicContact CG1-CG1 4.13Å; V490-I523 HydrophobicContact CG2-CD1 4.16Å; V490-I523 HydrophobicContact CG2-CG1 4.16Å
491E97Very high97.7Very high57 Ų5733.7 Ų33.727%0.26620%0.195SC..Hα-helixtrans-51-47.6-178.2-62.597.7134.700112.5W482 A485 M486 G489 K493 V494 T495W482-E491 HydrophobicContact CH2-CB 3.67Å; W482-E491 HydrophobicContact CH2-CG 3.82Å; W482-E491 HydrophobicContact CZ2-CB 4.23Å; W482-E491 HydrophobicContact CZ2-CG 3.92Å; W482-E491 HydrophobicContact CZ3-CB 4.17Å; W482-E491 HydrophobicContact CZ3-CG 4.32Å; A485-E491 HydrophobicContact CB-CG 4.15Å; M486-E491 WeakPolarHBondContact CA-OE1 3.45Å; M486-E491 HydrophobicContact CG-CG 4.38Å; G489-E491 VanDerWaalsContact CA-OE2 3.26Å; G489-E491 WeakPolarHBondContact CA-OE2 3.35Å; E491-K493 PolarHBondContact O-N 3.37Å; E491-V494 PolarHBondContact O-N 3.09Å; E491-V494 VanDerWaalsContact O-N 3.15Å; E491-T495 WeakPolarHBondContact O-CB 3.4Å; E491-T495 PolarHBondContact O-N 3.38Å; E491-T495 PolarHBondContact O-OG1 3.11Å
492D95.2Very high97.6Very high137 Ų13734.4 Ų34.473%0.73320%0.199SC*.Hα-helixtrans-63.2-24.5-178.8-61.8-24.6000112.7V490V490-D492 VanDerWaalsContact C-N 3.3Å; V490-D492 PolarHBondContact O-N 2.95Å
493K97.1Very high97.5Very high121 Ų12136.5 Ų36.553%0.52621%0.209SC..Hα-helixtrans-81.7-24.9179.7-60.7-174.8177.6178.50113.3V490 E491 A521V490-K493 HydrophobicContact CB-CD 4.31Å; V490-K493 HydrophobicContact CG1-CD 4.36Å; V490-K493 WeakPolarHBondContact O-CB 3.23Å; V490-K493 PolarHBondContact O-N 3.29Å; E491-K493 PolarHBondContact O-N 3.37Å; K493-A521 HydrophobicContact CB-CB 4.19Å
494V97.9Very high97.3Very high0 Ų042 Ų420%023%0.233CC..Hα-helixtrans-113.2-15.3-171.2-58.50000113.5A485 V490 E491 P497 L498 F518 A521 I523A485-V494 HydrophobicContact CB-CG2 3.79Å; V490-V494 PolarHBondContact O-N 3.29Å; E491-V494 PolarHBondContact O-N 3.09Å; E491-V494 VanDerWaalsContact O-N 3.15Å; V494-P497 WeakPolarHBondContact O-CD 3.37Å; V494-L498 HydrophobicContact CB-CD1 3.97Å; V494-L498 HydrophobicContact CB-CG 4.33Å; V494-L498 HydrophobicContact CG2-CD1 3.96Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.44Å; V494-L498 WeakPolarHBondContact O-CD1 3.35Å; V494-L498 WeakPolarHBondContact O-CG 3.47Å; V494-L498 PolarHBondContact O-N 3.27Å; V494-F518 HydrophobicContact CB-CE2 4.42Å; V494-F518 HydrophobicContact CB-CZ 4.34Å; V494-F518 HydrophobicContact CG1-CD1 3.92Å; V494-F518 HydrophobicContact CG1-CD2 4.23Å; V494-F518 HydrophobicContact CG1-CE1 3.97Å; V494-F518 HydrophobicContact CG1-CE2 4.28Å; V494-F518 HydrophobicContact CG1-CG 4.06Å; V494-F518 HydrophobicContact CG1-CZ 4.16Å; V494-F518 HydrophobicContact CG2-CE1 4.3Å; V494-F518 HydrophobicContact CG2-CZ 4.01Å; V494-A521 HydrophobicContact CG1-CB 4.08Å; V494-I523 HydrophobicContact CG1-CD1 4.29Å
495T97.5Very high97.2Very high10 Ų1045.8 Ų45.86%0.06126%0.256CS..Hα-helixtrans-57-58.3-177.5-63.20000112.5E443 E491 L498 F499E443-T495 HydrophobicContact CG-CG2 4.21Å; E491-T495 WeakPolarHBondContact O-CB 3.4Å; E491-T495 PolarHBondContact O-N 3.38Å; E491-T495 PolarHBondContact O-OG1 3.11Å; T495-L498 PolarHBondContact O-N 3.36Å; T495-F499 HydrophobicContact CG2-CD2 3.85Å; T495-F499 HydrophobicContact CG2-CE2 3.91Å; T495-F499 WeakPolarHBondContact O-CD2 3.38Å; T495-F499 PolarHBondContact O-N 2.66Å
496V97Very high97Very high49 Ų4951.8 Ų51.830%0.29729%0.285SS..Hα-helixtrans-62.9-50.3-179.7-1670000111.9E444 L498 F499 E500E444-V496 VanDerWaalsContact OE2-CG2 3.27Å; E444-V496 WeakPolarHBondContact OE2-CG2 3.19Å; V496-L498 VanDerWaalsContact C-N 3.29Å; V496-L498 PolarHBondContact O-N 2.91Å; V496-F499 PolarHBondContact O-N 3.48Å; V496-E500 HydrophobicContact CG1-CG 4.05Å; V496-E500 WeakPolarHBondContact O-CG 3.43Å; V496-E500 PolarHBondContact O-N 3.44Å
497P97.9Very high97Very high54 Ų5453.7 Ų53.735%0.35130%0.299SS..Hα-helixtrans-59.2-36.1179.4-28.138.6000114.1V494 G501 V517V494-P497 WeakPolarHBondContact O-CD 3.37Å; P497-G501 WeakPolarHBondContact O-CA 3.3Å; P497-G501 PolarHBondContact O-N 3.48Å; P497-V517 HydrophobicContact CB-CG1 3.56Å
498L98.5Very high97Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-70.1-45.3176.2-71.1172.8000111.6F434 L478 V494 T495 V496 G501 V502 I508 I514 V517 F518F434-L498 HydrophobicContact CD1-CB 3.67Å; F434-L498 HydrophobicContact CD2-CB 4.42Å; F434-L498 HydrophobicContact CE1-CB 3.47Å; F434-L498 VanDerWaalsContact CE1-CB 3.47Å; F434-L498 HydrophobicContact CE1-CD1 4.11Å; F434-L498 HydrophobicContact CE1-CG 4.44Å; F434-L498 HydrophobicContact CE2-CB 4.24Å; F434-L498 HydrophobicContact CE2-CD1 3.76Å; F434-L498 HydrophobicContact CG-CB 4.16Å; F434-L498 HydrophobicContact CZ-CB 3.77Å; F434-L498 HydrophobicContact CZ-CD1 3.5Å; F434-L498 HydrophobicContact CZ-CG 4.29Å; L478-L498 HydrophobicContact CD2-CD2 4.08Å; V494-L498 HydrophobicContact CB-CD1 3.97Å; V494-L498 HydrophobicContact CB-CG 4.33Å; V494-L498 HydrophobicContact CG2-CD1 3.96Å; V494-L498 VanDerWaalsContact O-CB 3.23Å; V494-L498 WeakPolarHBondContact O-CB 3.44Å; V494-L498 WeakPolarHBondContact O-CD1 3.35Å; V494-L498 WeakPolarHBondContact O-CG 3.47Å; V494-L498 PolarHBondContact O-N 3.27Å; T495-L498 PolarHBondContact O-N 3.36Å; V496-L498 VanDerWaalsContact C-N 3.29Å; V496-L498 PolarHBondContact O-N 2.91Å; L498-G501 PolarHBondContact O-N 3.04Å; L498-V502 WeakPolarHBondContact O-CB 3.28Å; L498-V502 WeakPolarHBondContact O-CG2 3.18Å; L498-V502 PolarHBondContact O-N 2.92Å; L498-I508 HydrophobicContact CD2-CD1 3.85Å; L498-I514 HydrophobicContact CD2-CG2 4.14Å; L498-V517 HydrophobicContact CD2-CB 4.09Å; L498-V517 HydrophobicContact CD2-CG1 3.84Å; L498-V517 HydrophobicContact CD2-CG2 4.3Å; L498-V517 HydrophobicContact CG-CG1 4.01Å; L498-F518 HydrophobicContact CD1-CE2 4.25Å
499F98.3Very high97Very high2 Ų258.9 Ų58.91%0.00931%0.306CS..Hα-helixtrans-59.1-51.2175.9-94.9-59.9000112F432 S433 F434 C439 Y440 E443 T495 V496 V502 Q503F432-F499 HydrophobicContact CD2-CE2 4.31Å; F432-F499 AromaticContact CD2-CZ 3.8Å; F432-F499 HydrophobicContact CD2-CZ 3.8Å; F432-F499 HydrophobicContact CE2-CE2 4.36Å; F432-F499 HydrophobicContact CE2-CZ 4.22Å; S433-F499 WeakPolarHBondContact O-CE1 3.2Å; F434-F499 HydrophobicContact CD1-CB 4.31Å; F434-F499 AromaticContact CD1-CD1 3.87Å; F434-F499 HydrophobicContact CD1-CD1 3.87Å; F434-F499 AromaticContact CD1-CD2 3.8Å; F434-F499 HydrophobicContact CD1-CD2 3.8Å; F434-F499 HydrophobicContact CD1-CE1 4.11Å; F434-F499 HydrophobicContact CD1-CE2 4.04Å; F434-F499 AromaticContact CD1-CG 3.71Å; F434-F499 HydrophobicContact CD1-CG 3.71Å; F434-F499 HydrophobicContact CD1-CZ 4.18Å; F434-F499 AromaticContact CE1-CD2 3.87Å; F434-F499 HydrophobicContact CE1-CD2 3.87Å; F434-F499 HydrophobicContact CE1-CE2 4.05Å; F434-F499 HydrophobicContact CE1-CG 4.22Å; C439-F499 HydrophobicContact CB-CE1 4.02Å; C439-F499 HydrophobicContact CB-CZ 3.93Å; Y440-F499 HydrophobicContact CD2-CB 3.65Å; Y440-F499 AromaticContact CD2-CD1 3.92Å; Y440-F499 HydrophobicContact CD2-CD1 3.92Å; Y440-F499 HydrophobicContact CD2-CD2 4.41Å; Y440-F499 AromaticContact CD2-CG 3.77Å; Y440-F499 HydrophobicContact CD2-CG 3.77Å; Y440-F499 HydrophobicContact CE2-CB 4.05Å; Y440-F499 HydrophobicContact CG-CD1 4.45Å; E443-F499 HydrophobicContact CB-CE2 4.31Å; E443-F499 HydrophobicContact CG-CE2 4.45Å; T495-F499 HydrophobicContact CG2-CD2 3.85Å; T495-F499 HydrophobicContact CG2-CE2 3.91Å; T495-F499 WeakPolarHBondContact O-CD2 3.38Å; T495-F499 PolarHBondContact O-N 2.66Å; V496-F499 PolarHBondContact O-N 3.48Å; F499-V502 PolarHBondContact O-N 3.45Å; F499-Q503 WeakPolarHBondContact O-CB 2.99Å; F499-Q503 WeakPolarHBondContact O-CG 3.43Å; F499-Q503 PolarHBondContact O-N 2.89Å
500E97.6Very high97Very high65 Ų6558.4 Ų58.430%0.30429%0.294SS..Hα-helixtrans-67.9-38.2-178.8-64-161.7139.300111.8Y440 V496 V502 K504 T505Y440-E500 HydrophobicContact CE2-CG 4.37Å; V496-E500 HydrophobicContact CG1-CG 4.05Å; V496-E500 WeakPolarHBondContact O-CG 3.43Å; V496-E500 PolarHBondContact O-N 3.44Å; E500-V502 VanDerWaalsContact C-N 3.3Å; E500-V502 PolarHBondContact O-N 2.85Å; E500-K504 HydrophobicContact CB-CD 4.34Å; E500-K504 HydrophobicContact CG-CD 3.99Å; E500-K504 WeakPolarHBondContact O-CA 3.49Å; E500-K504 WeakPolarHBondContact O-CB 3.38Å; E500-K504 PolarHBondContact O-N 3.3Å; E500-K504 IonicContact OE1-NZ 3.8Å; E500-K504 PolarHBondContact OE1-NZ 3.46Å; E500-T505 PolarHBondContact O-N 3.22Å; E500-T505 PolarHBondContact O-OG1 3.27Å
501G97.9Very high96.9Very high4 Ų459.2 Ų59.24%0.04130%0.302CS..Hα-helixtrans-60.9-35.1176.200000113.9P497 L498 T505 Q506 T507 I508P497-G501 WeakPolarHBondContact O-CA 3.3Å; P497-G501 PolarHBondContact O-N 3.48Å; L498-G501 PolarHBondContact O-N 3.04Å; G501-T505 WeakPolarHBondContact CA-OG1 3.45Å; G501-Q506 CarbonylContact O-C 3.59Å; G501-Q506 VanDerWaalsContact O-CA 3.23Å; G501-Q506 WeakPolarHBondContact O-CA 3.41Å; G501-Q506 PolarHBondContact O-N 3.28Å; G501-T507 PolarHBondContact O-N 3.15Å; G501-I508 PolarHBondContact O-N 2.73Å
502V97.7Very high97Very high15 Ų1559.8 Ų59.89%0.09131%0.313CS..Hα-helixtrans-83.6-49.2176.1173.10000111.6F434 F435 L478 L498 F499 E500 I508F434-V502 HydrophobicContact CB-CG2 4.25Å; F434-V502 WeakPolarHBondContact O-CG1 3.29Å; F435-V502 HydrophobicContact CD1-CG1 3.5Å; F435-V502 HydrophobicContact CD2-CG1 4.25Å; F435-V502 HydrophobicContact CE1-CG1 3.57Å; F435-V502 HydrophobicContact CE2-CG1 4.31Å; F435-V502 HydrophobicContact CG-CG1 3.87Å; F435-V502 HydrophobicContact CZ-CG1 4Å; L478-V502 HydrophobicContact CD1-CG2 3.96Å; L498-V502 WeakPolarHBondContact O-CB 3.28Å; L498-V502 WeakPolarHBondContact O-CG2 3.18Å; L498-V502 PolarHBondContact O-N 2.92Å; F499-V502 PolarHBondContact O-N 3.45Å; E500-V502 VanDerWaalsContact C-N 3.3Å; E500-V502 PolarHBondContact O-N 2.85Å; V502-I508 HydrophobicContact CG2-CB 4.16Å; V502-I508 HydrophobicContact CG2-CD1 4.09Å; V502-I508 HydrophobicContact CG2-CG2 4.28Å
503Q95.4Very high97.1Very high50 Ų5055.4 Ų55.423%0.23429%0.289CS..Hα-helixtrans-94.2-35.1-166.1-59.6-169.717.900114.5F434 C436 F499F434-Q503 VanDerWaalsContact O-CG 3.27Å; F434-Q503 WeakPolarHBondContact O-CG 3.13Å; F434-Q503 PolarHBondContact O-NE2 3.08Å; C436-Q503 VanDerWaalsContact C-NE2 3.3Å; C436-Q503 PolarHBondContact O-NE2 3.09Å; F499-Q503 WeakPolarHBondContact O-CB 2.99Å; F499-Q503 WeakPolarHBondContact O-CG 3.43Å; F499-Q503 PolarHBondContact O-N 2.89Å
504K95Very high97.2Very high114 Ų11449.7 Ų49.750%0.49626%0.264SS..THydrogen-bonded Turntrans-100.9-60.4-173.1-63.6-173.3-175.2173.20112.1Y440 E500Y440-K504 VanDerWaalsContact OH-CE 3.23Å; Y440-K504 WeakPolarHBondContact OH-CE 2.96Å; Y440-K504 PolarHBondContact OH-NZ 3.47Å; E500-K504 HydrophobicContact CB-CD 4.34Å; E500-K504 HydrophobicContact CG-CD 3.99Å; E500-K504 WeakPolarHBondContact O-CA 3.49Å; E500-K504 WeakPolarHBondContact O-CB 3.38Å; E500-K504 PolarHBondContact O-N 3.3Å; E500-K504 IonicContact OE1-NZ 3.8Å; E500-K504 PolarHBondContact OE1-NZ 3.46Å
505T96.6Very high97.2Very high80 Ų8053 Ų5349%0.49128%0.277SS..SBendtrans-87.1-20.8-172.664.90000112.5E500 G501 T507E500-T505 PolarHBondContact O-N 3.22Å; E500-T505 PolarHBondContact O-OG1 3.27Å; G501-T505 WeakPolarHBondContact CA-OG1 3.45Å; T505-T507 PolarHBondContact O-N 2.99Å; T505-T507 PolarHBondContact OG1-OG1 2.71Å
506Q94.8Very high97.2Very high127 Ų12755.8 Ų55.859%0.59329%0.291SS*.  trans5335-176.9-56.2-179.9-4.200112.5G501 R509G501-Q506 CarbonylContact O-C 3.59Å; G501-Q506 VanDerWaalsContact O-CA 3.23Å; G501-Q506 WeakPolarHBondContact O-CA 3.41Å; G501-Q506 PolarHBondContact O-N 3.28Å; Q506-R509 PolarHBondContact O-NE 3.44Å; Q506-R509 PolarHBondContact O-NH2 3.08Å; Q506-R509 VanDerWaalsContact O-NH2 3.14Å
507T97Very high97.3Very high80 Ų8054.3 Ų54.349%0.49128%0.282SS..  trans-80.9-23.9177.249.50000111.8G501 T505G501-T507 PolarHBondContact O-N 3.15Å; T505-T507 PolarHBondContact O-N 2.99Å; T505-T507 PolarHBondContact OG1-OG1 2.71Å
508I97.9Very high97.3Very high10 Ų1051.7 Ų51.75%0.05127%0.266CS..  trans-89.3110-179.9-58.7173.1000109.7L474 L498 G501 V502 D513 I514 V517L474-I508 HydrophobicContact CD1-CG2 4.47Å; L474-I508 HydrophobicContact CD2-CG2 4.44Å; L498-I508 HydrophobicContact CD2-CD1 3.85Å; G501-I508 PolarHBondContact O-N 2.73Å; V502-I508 HydrophobicContact CG2-CB 4.16Å; V502-I508 HydrophobicContact CG2-CD1 4.09Å; V502-I508 HydrophobicContact CG2-CG2 4.28Å; I508-D513 HydrophobicContact CB-CB 4.45Å; I508-D513 HydrophobicContact CG2-CB 4.37Å; I508-I514 HydrophobicContact CG2-CD1 4.43Å; I508-I514 HydrophobicContact CG2-CG1 3.55Å; I508-V517 HydrophobicContact CD1-CG2 3.82Å; I508-V517 HydrophobicContact CG1-CG2 4.1Å
509R95.5Very high97.3Very high189 Ų18954.5 Ų54.571%0.71328%0.28SS*.  trans-129.3-11.1-176.2-58.4173.7-168.9166.33.6113.3Q506 D513Q506-R509 PolarHBondContact O-NE 3.44Å; Q506-R509 PolarHBondContact O-NH2 3.08Å; Q506-R509 VanDerWaalsContact O-NH2 3.14Å; R509-D513 WeakPolarHBondContact CA-OD2 3.44Å; R509-D513 PolarHBondContact N-OD2 3.38Å
510S97.5Very high97.3Very high46 Ų4661.2 Ų61.232%0.32232%0.316SS..SBendtrans-151.3164.8-175.268.60000111.1S512 D513 I514S510-S512 PolarHBondContact O-N 2.95Å; S510-S512 PolarHBondContact OG-N 3.15Å; S510-D513 WeakPolarHBondContact CB-OD2 3.43Å; S510-D513 PolarHBondContact N-OD2 3.48Å; S510-D513 PolarHBondContact O-N 3.2Å; S510-D513 VanDerWaalsContact O-N 3.08Å; S510-D513 VanDerWaalsContact OG-CG 3.27Å; S510-D513 PolarHBondContact OG-N 2.97Å; S510-D513 PolarHBondContact OG-OD2 3.32Å; S510-I514 PolarHBondContact O-N 3.1Å
511A96Very high97.2Very high34 Ų3459.5 Ų59.528%0.28131%0.313SS..Hα-helixtrans-56.5-28.4171.400000113.6D477 I514 R515D477-A511 HydrophobicContact CB-CB 4.41Å; A511-I514 PolarHBondContact O-N 3.02Å; A511-R515 PolarHBondContact O-N 3.47Å; A511-R515 VanDerWaalsContact O-N 3.09Å
512S97.8Very high97.2Very high69 Ų6962.2 Ų62.248%0.48334%0.341SS..Hα-helixtrans-67.3-41.6175.3-168.50000111.7S510 I514 R515 D516S510-S512 PolarHBondContact O-N 2.95Å; S510-S512 PolarHBondContact OG-N 3.15Å; S512-I514 VanDerWaalsContact C-N 3.28Å; S512-I514 PolarHBondContact O-N 3.18Å; S512-R515 WeakPolarHBondContact O-CB 3.44Å; S512-R515 PolarHBondContact O-N 3.24Å; S512-D516 PolarHBondContact O-N 3.03Å
513D98.3Very high97.2Very high45 Ų4561.9 Ų61.924%0.24134%0.338CS..Hα-helixtrans-66.9-35178.9-50.8-51.5000110.8I508 R509 S510 D516 V517I508-D513 HydrophobicContact CB-CB 4.45Å; I508-D513 HydrophobicContact CG2-CB 4.37Å; R509-D513 WeakPolarHBondContact CA-OD2 3.44Å; R509-D513 PolarHBondContact N-OD2 3.38Å; S510-D513 WeakPolarHBondContact CB-OD2 3.43Å; S510-D513 PolarHBondContact N-OD2 3.48Å; S510-D513 PolarHBondContact O-N 3.2Å; S510-D513 VanDerWaalsContact O-N 3.08Å; S510-D513 VanDerWaalsContact OG-CG 3.27Å; S510-D513 PolarHBondContact OG-N 2.97Å; S510-D513 PolarHBondContact OG-OD2 3.32Å; D513-D516 PolarHBondContact O-N 3.13Å; D513-V517 WeakPolarHBondContact O-CG2 3.12Å; D513-V517 PolarHBondContact O-N 3.33Å; D513-V517 VanDerWaalsContact O-N 3.17Å
514I98.4Very high97.3Very high0 Ų066.8 Ų66.80%036%0.359CS..Hα-helixtrans-61.6-47173.3-60.5172.3000110.2L474 D477 L478 A481 L498 I508 S510 A511 S512 D516 V517 F518L474-I514 HydrophobicContact CD1-CD1 3.83Å; L474-I514 HydrophobicContact CD1-CG1 4.45Å; D477-I514 HydrophobicContact CB-CD1 3.76Å; L478-I514 HydrophobicContact CD2-CD1 3.72Å; L478-I514 HydrophobicContact CD2-CG1 3.99Å; L478-I514 HydrophobicContact CG-CD1 3.75Å; L478-I514 HydrophobicContact CG-CG1 4.5Å; A481-I514 HydrophobicContact CB-CG2 3.42Å; A481-I514 VanDerWaalsContact CB-CG2 3.42Å; L498-I514 HydrophobicContact CD2-CG2 4.14Å; I508-I514 HydrophobicContact CG2-CD1 4.43Å; I508-I514 HydrophobicContact CG2-CG1 3.55Å; S510-I514 PolarHBondContact O-N 3.1Å; A511-I514 PolarHBondContact O-N 3.02Å; S512-I514 VanDerWaalsContact C-N 3.28Å; S512-I514 PolarHBondContact O-N 3.18Å; I514-D516 VanDerWaalsContact C-N 3.26Å; I514-D516 PolarHBondContact O-N 3.4Å; I514-V517 WeakPolarHBondContact O-CB 3.47Å; I514-V517 PolarHBondContact O-N 2.89Å; I514-V517 VanDerWaalsContact O-N 3.13Å; I514-F518 HydrophobicContact CG2-CD2 4.38Å; I514-F518 HydrophobicContact CG2-CE2 4.11Å; I514-F518 WeakPolarHBondContact O-CD2 3.45Å; I514-F518 PolarHBondContact O-N 3.42Å
515R98.3Very high97.3Very high69 Ų6962.1 Ų62.126%0.2634%0.343SS..Hα-helixtrans-56.6-41.7175.9177177.1-175-79.20.8111.9A511 S512 V517 F518 I519 Y528 D529A511-R515 PolarHBondContact O-N 3.47Å; A511-R515 VanDerWaalsContact O-N 3.09Å; S512-R515 WeakPolarHBondContact O-CB 3.44Å; S512-R515 PolarHBondContact O-N 3.24Å; R515-V517 VanDerWaalsContact C-N 3.29Å; R515-V517 PolarHBondContact O-N 2.86Å; R515-F518 PolarHBondContact O-N 2.74Å; R515-I519 HydrophobicContact CG-CD1 4.06Å; R515-I519 WeakPolarHBondContact O-CG1 3.48Å; R515-I519 PolarHBondContact O-N 3.43Å; R515-I519 VanDerWaalsContact O-N 3.1Å; R515-Y528 HydrophobicContact CB-CD1 4.12Å; R515-Y528 HydrophobicContact CB-CE1 3.6Å; R515-Y528 HydrophobicContact CG-CD1 3.63Å; R515-Y528 HydrophobicContact CG-CE1 3.64Å; R515-Y528 HydrophobicContact CG-CG 4.36Å; R515-D529 WeakPolarHBondContact CD-OD1 3.44Å; R515-D529 IonicContact CZ-OD1 2.65Å; R515-D529 IonicContact CZ-OD2 3.34Å; R515-D529 IonicContact NE-OD1 2.74Å; R515-D529 PolarHBondContact NE-OD1 3.17Å; R515-D529 IonicContact NE-OD2 3.73Å; R515-D529 PolarHBondContact NE-OD2 3.3Å; R515-D529 IonicContact NH2-OD1 3.94Å; R515-D529 IonicContact NH2-OD2 2.97Å; R515-D529 PolarHBondContact NH2-OD2 3.39Å
516D98.3Very high97.3Very high69 Ų6966.2 Ų66.237%0.36936%0.357SS..Hα-helixtrans-64.7-32.6179.3-69-21.4000112.4S512 D513 I514 I519 N520S512-D516 PolarHBondContact O-N 3.03Å; D513-D516 PolarHBondContact O-N 3.13Å; I514-D516 VanDerWaalsContact C-N 3.26Å; I514-D516 PolarHBondContact O-N 3.4Å; D516-I519 PolarHBondContact O-N 2.94Å; D516-N520 WeakPolarHBondContact O-CB 3.15Å; D516-N520 PolarHBondContact O-N 2.69Å; D516-N520 PolarHBondContact O-ND2 3.33Å; D516-N520 VanDerWaalsContact O-ND2 3.15Å
517V98.4Very high97.4Very high18 Ų1864.5 Ų64.511%0.10935%0.349CS..Hα-helixtrans-61-44.3172.5173.30000111.6P497 L498 I508 D513 I514 R515 I519 N520 A521P497-V517 HydrophobicContact CB-CG1 3.56Å; L498-V517 HydrophobicContact CD2-CB 4.09Å; L498-V517 HydrophobicContact CD2-CG1 3.84Å; L498-V517 HydrophobicContact CD2-CG2 4.3Å; L498-V517 HydrophobicContact CG-CG1 4.01Å; I508-V517 HydrophobicContact CD1-CG2 3.82Å; I508-V517 HydrophobicContact CG1-CG2 4.1Å; D513-V517 WeakPolarHBondContact O-CG2 3.12Å; D513-V517 PolarHBondContact O-N 3.33Å; D513-V517 VanDerWaalsContact O-N 3.17Å; I514-V517 WeakPolarHBondContact O-CB 3.47Å; I514-V517 PolarHBondContact O-N 2.89Å; I514-V517 VanDerWaalsContact O-N 3.13Å; R515-V517 VanDerWaalsContact C-N 3.29Å; R515-V517 PolarHBondContact O-N 2.86Å; V517-I519 VanDerWaalsContact C-N 3.34Å; V517-I519 PolarHBondContact O-N 2.55Å; V517-N520 PolarHBondContact O-N 2.81Å; V517-A521 WeakPolarHBondContact O-CB 3.38Å; V517-A521 PolarHBondContact O-N 3.22Å
518F98.6Very high97.4Very high0 Ų061 Ų610%033%0.326CS..Hα-helixtrans-64.1-40.8177.1-80.9-108.7000111.7A481 V484 A485 V490 V494 L498 I514 R515 A521 G522 I523 Y528A481-F518 HydrophobicContact CB-CE2 4.11Å; A481-F518 HydrophobicContact CB-CZ 4.36Å; A481-F518 WeakPolarHBondContact O-CZ 3.23Å; V484-F518 HydrophobicContact CB-CE1 4.45Å; V484-F518 HydrophobicContact CG1-CD1 4.42Å; V484-F518 HydrophobicContact CG1-CE1 3.97Å; A485-F518 HydrophobicContact CB-CE1 3.98Å; A485-F518 HydrophobicContact CB-CZ 3.97Å; V490-F518 HydrophobicContact CG2-CD1 4.41Å; V490-F518 HydrophobicContact CG2-CE1 4.16Å; V494-F518 HydrophobicContact CB-CE2 4.42Å; V494-F518 HydrophobicContact CB-CZ 4.34Å; V494-F518 HydrophobicContact CG1-CD1 3.92Å; V494-F518 HydrophobicContact CG1-CD2 4.23Å; V494-F518 HydrophobicContact CG1-CE1 3.97Å; V494-F518 HydrophobicContact CG1-CE2 4.28Å; V494-F518 HydrophobicContact CG1-CG 4.06Å; V494-F518 HydrophobicContact CG1-CZ 4.16Å; V494-F518 HydrophobicContact CG2-CE1 4.3Å; V494-F518 HydrophobicContact CG2-CZ 4.01Å; L498-F518 HydrophobicContact CD1-CE2 4.25Å; I514-F518 HydrophobicContact CG2-CD2 4.38Å; I514-F518 HydrophobicContact CG2-CE2 4.11Å; I514-F518 WeakPolarHBondContact O-CD2 3.45Å; I514-F518 PolarHBondContact O-N 3.42Å; R515-F518 PolarHBondContact O-N 2.74Å; F518-A521 PolarHBondContact O-N 2.95Å; F518-G522 PolarHBondContact O-N 2.82Å; F518-I523 HydrophobicContact CB-CB 4.32Å; F518-I523 HydrophobicContact CB-CD1 4.41Å; F518-I523 HydrophobicContact CD1-CD1 4.27Å; F518-I523 HydrophobicContact CD1-CG1 4.41Å; F518-I523 WeakPolarHBondContact O-CB 3.48Å; F518-I523 WeakPolarHBondContact O-CD1 3.38Å; F518-I523 PolarHBondContact O-N 3.1Å; F518-Y528 HydrophobicContact CB-CD2 3.64Å; F518-Y528 HydrophobicContact CB-CE2 4.02Å; F518-Y528 HydrophobicContact CB-CG 4.45Å; F518-Y528 AromaticContact CD1-CD2 3.59Å; F518-Y528 HydrophobicContact CD1-CD2 3.59Å; F518-Y528 AromaticContact CD1-CE2 3.85Å; F518-Y528 HydrophobicContact CD1-CE2 3.85Å; F518-Y528 HydrophobicContact CD2-CD2 4.03Å; F518-Y528 AromaticContact CD2-CE2 3.56Å; F518-Y528 HydrophobicContact CD2-CE2 3.56Å; F518-Y528 HydrophobicContact CE1-CD2 4.21Å; F518-Y528 HydrophobicContact CE1-CE2 4.16Å; F518-Y528 AromaticContact CE2-CE2 3.9Å; F518-Y528 HydrophobicContact CE2-CE2 3.9Å; F518-Y528 AromaticContact CG-CD2 3.48Å; F518-Y528 HydrophobicContact CG-CD2 3.48Å; F518-Y528 VanDerWaalsContact CG-CD2 3.48Å; F518-Y528 AromaticContact CG-CE2 3.53Å; F518-Y528 HydrophobicContact CG-CE2 3.53Å; F518-Y528 HydrophobicContact CZ-CE2 4.18Å
519I98.2Very high97.4Very high58 Ų5863.2 Ų63.230%0.29734%0.339SS..Hα-helixtrans-65-44.8177.9-67.1171.5000111.1R515 D516 V517 A521 G522 I523R515-I519 HydrophobicContact CG-CD1 4.06Å; R515-I519 WeakPolarHBondContact O-CG1 3.48Å; R515-I519 PolarHBondContact O-N 3.43Å; R515-I519 VanDerWaalsContact O-N 3.1Å; D516-I519 PolarHBondContact O-N 2.94Å; V517-I519 VanDerWaalsContact C-N 3.34Å; V517-I519 PolarHBondContact O-N 2.55Å; I519-A521 PolarHBondContact O-N 2.89Å; I519-G522 WeakPolarHBondContact O-CA 3.45Å; I519-G522 PolarHBondContact O-N 3.1Å; I519-I523 WeakPolarHBondContact CA-O 3.38Å
520N97.6Very high97.4Very high143 Ų14357.4 Ų57.477%0.76533%0.331SS*.Hα-helixtrans-65.3-26.5177.3-69.6-26.8000112.5D516 V517 G522D516-N520 WeakPolarHBondContact O-CB 3.15Å; D516-N520 PolarHBondContact O-N 2.69Å; D516-N520 PolarHBondContact O-ND2 3.33Å; D516-N520 VanDerWaalsContact O-ND2 3.15Å; V517-N520 PolarHBondContact O-N 2.81Å; N520-G522 PolarHBondContact O-N 2.97Å
521A97Very high97.4Very high29 Ų2955.7 Ų55.724%0.2432%0.319CS..THydrogen-bonded Turntrans-79.51171.600000113.9K493 V494 V517 F518 I519 I523K493-A521 HydrophobicContact CB-CB 4.19Å; V494-A521 HydrophobicContact CG1-CB 4.08Å; V517-A521 WeakPolarHBondContact O-CB 3.38Å; V517-A521 PolarHBondContact O-N 3.22Å; F518-A521 PolarHBondContact O-N 2.95Å; I519-A521 PolarHBondContact O-N 2.89Å; A521-I523 HydrophobicContact CB-CD1 3.85Å
522G97Very high97.5Very high61 Ų6156 Ų5663%0.62931%0.314SS*.THydrogen-bonded Turntrans93.910174.600000115.6F518 I519 N520F518-G522 PolarHBondContact O-N 2.82Å; I519-G522 WeakPolarHBondContact O-CA 3.45Å; I519-G522 PolarHBondContact O-N 3.1Å; N520-G522 PolarHBondContact O-N 2.97Å
523I97.7Very high97.2Very high8 Ų857.8 Ų57.84%0.04132%0.318CS..  trans-81.6134.8173.2-61.986.8000108.9L488 V490 V494 F518 I519 A521 E527L488-I523 HydrophobicContact CD1-CG2 3.98Å; V490-I523 HydrophobicContact CB-CD1 4.25Å; V490-I523 HydrophobicContact CB-CG1 4.4Å; V490-I523 HydrophobicContact CG1-CD1 4.4Å; V490-I523 HydrophobicContact CG1-CG1 4.13Å; V490-I523 HydrophobicContact CG2-CD1 4.16Å; V490-I523 HydrophobicContact CG2-CG1 4.16Å; V494-I523 HydrophobicContact CG1-CD1 4.29Å; F518-I523 HydrophobicContact CB-CB 4.32Å; F518-I523 HydrophobicContact CB-CD1 4.41Å; F518-I523 HydrophobicContact CD1-CD1 4.27Å; F518-I523 HydrophobicContact CD1-CG1 4.41Å; F518-I523 WeakPolarHBondContact O-CB 3.48Å; F518-I523 WeakPolarHBondContact O-CD1 3.38Å; F518-I523 PolarHBondContact O-N 3.1Å; I519-I523 WeakPolarHBondContact CA-O 3.38Å; A521-I523 HydrophobicContact CB-CD1 3.85Å; I523-E527 HydrophobicContact CG2-CB 4.37Å; I523-E527 HydrophobicContact CG2-CG 4.37Å
524K96.6Very high97Very high153 Ų15357.2 Ų57.267%0.66532%0.317SS*.  trans-68.9138.1178.6-66.6-179.9-177.5176.10110.1E526 E527 Y528K524-E526 VanDerWaalsContact C-N 3.27Å; K524-E526 PolarHBondContact O-N 3.35Å; K524-E527 HydrophobicContact CB-CB 4.09Å; K524-E527 WeakPolarHBondContact O-CB 3.5Å; K524-E527 PolarHBondContact O-N 3.03Å; K524-Y528 PolarHBondContact O-N 3.43Å
525G95.7Very high96.7Very high16 Ų1665.4 Ų65.417%0.16535%0.353CS..Hα-helixtrans-53.2-43.1178.100000113.2E527 Y528 D529G525-E527 VanDerWaalsContact C-N 3.32Å; G525-E527 PolarHBondContact O-N 2.87Å; G525-Y528 PolarHBondContact O-N 2.77Å; G525-D529 WeakPolarHBondContact O-CB 3.38Å; G525-D529 PolarHBondContact O-N 2.78Å
526E96.3Very high96.5Very high166 Ų16666 Ų6678%0.77636%0.364SS*.Hα-helixtrans-62.7-36.4176.8-63.6177-175.800113.2K524 A530K524-E526 VanDerWaalsContact C-N 3.27Å; K524-E526 PolarHBondContact O-N 3.35Å; E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 2.76Å
527E96.6Very high96.5Very high92 Ų9262.7 Ų62.743%0.4335%0.346SS..Hα-helixtrans-69.9-44178.4-178.7177.5-168.400110.8L488 I523 K524 G525 A531L488-E527 HydrophobicContact CD1-CG 4.25Å; L488-E527 HydrophobicContact CD2-CG 3.9Å; I523-E527 HydrophobicContact CG2-CB 4.37Å; I523-E527 HydrophobicContact CG2-CG 4.37Å; K524-E527 HydrophobicContact CB-CB 4.09Å; K524-E527 WeakPolarHBondContact O-CB 3.5Å; K524-E527 PolarHBondContact O-N 3.03Å; G525-E527 VanDerWaalsContact C-N 3.32Å; G525-E527 PolarHBondContact O-N 2.87Å; E527-A531 WeakPolarHBondContact O-CB 3.5Å; E527-A531 PolarHBondContact O-N 2.8Å
528Y98.2Very high96.2Very high5 Ų568 Ų682%0.0237%0.368CS..Hα-helixtrans-59.3-50.4172.2177.8-88.4000111.5V484 R515 F518 K524 G525 A530 A531 W532V484-Y528 HydrophobicContact CB-CE2 4.5Å; V484-Y528 HydrophobicContact CG1-CD2 3.77Å; V484-Y528 HydrophobicContact CG1-CE2 3.99Å; R515-Y528 HydrophobicContact CB-CD1 4.12Å; R515-Y528 HydrophobicContact CB-CE1 3.6Å; R515-Y528 HydrophobicContact CG-CD1 3.63Å; R515-Y528 HydrophobicContact CG-CE1 3.64Å; R515-Y528 HydrophobicContact CG-CG 4.36Å; F518-Y528 HydrophobicContact CB-CD2 3.64Å; F518-Y528 HydrophobicContact CB-CE2 4.02Å; F518-Y528 HydrophobicContact CB-CG 4.45Å; F518-Y528 AromaticContact CD1-CD2 3.59Å; F518-Y528 HydrophobicContact CD1-CD2 3.59Å; F518-Y528 AromaticContact CD1-CE2 3.85Å; F518-Y528 HydrophobicContact CD1-CE2 3.85Å; F518-Y528 HydrophobicContact CD2-CD2 4.03Å; F518-Y528 AromaticContact CD2-CE2 3.56Å; F518-Y528 HydrophobicContact CD2-CE2 3.56Å; F518-Y528 HydrophobicContact CE1-CD2 4.21Å; F518-Y528 HydrophobicContact CE1-CE2 4.16Å; F518-Y528 AromaticContact CE2-CE2 3.9Å; F518-Y528 HydrophobicContact CE2-CE2 3.9Å; F518-Y528 AromaticContact CG-CD2 3.48Å; F518-Y528 HydrophobicContact CG-CD2 3.48Å; F518-Y528 VanDerWaalsContact CG-CD2 3.48Å; F518-Y528 AromaticContact CG-CE2 3.53Å; F518-Y528 HydrophobicContact CG-CE2 3.53Å; F518-Y528 HydrophobicContact CZ-CE2 4.18Å; K524-Y528 PolarHBondContact O-N 3.43Å; G525-Y528 PolarHBondContact O-N 2.77Å; Y528-A530 VanDerWaalsContact C-N 3.32Å; Y528-A530 PolarHBondContact O-N 2.84Å; Y528-A531 PolarHBondContact O-N 2.89Å; Y528-W532 HydrophobicContact CE1-CB 4.46Å; Y528-W532 HydrophobicContact CE1-CD2 4.45Å; Y528-W532 HydrophobicContact CE1-CE3 4.04Å; Y528-W532 HydrophobicContact CE2-CE3 4.48Å; Y528-W532 AromaticContact CZ-CE3 3.67Å; Y528-W532 WeakPolarHBondContact O-CB 3.17Å; Y528-W532 PolarHBondContact O-N 3.01Å; Y528-W532 WeakPolarHBondContact OH-CZ3 3.41Å
529D97.1Very high95.9Very high58 Ų5870.9 Ų70.931%0.3139%0.388SS..Hα-helixtrans-64.9-37.4-176.3-65.7-29.8000111.6R515 G525 N533R515-D529 WeakPolarHBondContact CD-OD1 3.44Å; R515-D529 IonicContact CZ-OD1 2.65Å; R515-D529 IonicContact CZ-OD2 3.34Å; R515-D529 IonicContact NE-OD1 2.74Å; R515-D529 PolarHBondContact NE-OD1 3.17Å; R515-D529 IonicContact NE-OD2 3.73Å; R515-D529 PolarHBondContact NE-OD2 3.3Å; R515-D529 IonicContact NH2-OD1 3.94Å; R515-D529 IonicContact NH2-OD2 2.97Å; R515-D529 PolarHBondContact NH2-OD2 3.39Å; G525-D529 WeakPolarHBondContact O-CB 3.38Å; G525-D529 PolarHBondContact O-N 2.78Å; D529-N533 PolarHBondContact O-N 2.87Å; D529-N533 PolarHBondContact O-ND2 2.8Å
530A96.1Very high95.9Very high66 Ų6669.4 Ų69.455%0.54538%0.381SS..Hα-helixtrans-66.3-45.5173.900000111.7E526 Y528 S534E526-A530 WeakPolarHBondContact O-CB 3.48Å; E526-A530 PolarHBondContact O-N 2.76Å; Y528-A530 VanDerWaalsContact C-N 3.32Å; Y528-A530 PolarHBondContact O-N 2.84Å; A530-S534 PolarHBondContact O-N 2.91Å
531A97.3Very high95.9Very high10 Ų1063.7 Ų63.78%0.08335%0.351CS..Hα-helixtrans-62.8-47.6177.200000111.3V484 L488 E527 Y528 N533 S534 V537V484-A531 HydrophobicContact CG1-CB 3.87Å; V484-A531 HydrophobicContact CG2-CB 4.39Å; L488-A531 HydrophobicContact CD1-CB 4.15Å; L488-A531 HydrophobicContact CD2-CB 4.06Å; L488-A531 HydrophobicContact CG-CB 4.1Å; E527-A531 WeakPolarHBondContact O-CB 3.5Å; E527-A531 PolarHBondContact O-N 2.8Å; Y528-A531 PolarHBondContact O-N 2.89Å; A531-N533 PolarHBondContact O-N 3.04Å; A531-N533 VanDerWaalsContact O-N 3.15Å; A531-S534 WeakPolarHBondContact O-CB 3.3Å; A531-S534 PolarHBondContact O-N 3.4Å; A531-S534 PolarHBondContact O-OG 3.38Å; A531-V537 HydrophobicContact CB-CG2 4.5Å; A531-V537 VanDerWaalsContact O-CB 3.29Å; A531-V537 WeakPolarHBondContact O-CB 3.47Å; A531-V537 WeakPolarHBondContact O-CG2 3.35Å
532W97.7Very high95.9Very high42 Ų4264.8 Ų64.816%0.15936%0.36CS..Hα-helixtrans-51.6-39.7-179.9-178.1-88.5000113.1D477 Q480 A481 V484 Y528D477-W532 HydrophobicContact CB-CH2 4.38Å; Q480-W532 HydrophobicContact CB-CH2 3.82Å; Q480-W532 HydrophobicContact CB-CZ2 4.28Å; Q480-W532 HydrophobicContact CB-CZ3 4.01Å; Q480-W532 VanDerWaalsContact CD-CE2 3.5Å; Q480-W532 VanDerWaalsContact CD-CZ2 3.48Å; Q480-W532 HydrophobicContact CG-CD2 4.07Å; Q480-W532 HydrophobicContact CG-CE3 3.95Å; Q480-W532 HydrophobicContact CG-CH2 3.81Å; Q480-W532 HydrophobicContact CG-CZ2 3.93Å; Q480-W532 HydrophobicContact CG-CZ3 3.83Å; Q480-W532 VanDerWaalsContact NE2-NE1 3.19Å; Q480-W532 PolarHBondContact NE2-O 3.03Å; A481-W532 HydrophobicContact CB-CZ3 4.05Å; V484-W532 HydrophobicContact CG2-CB 4.16Å; V484-W532 HydrophobicContact CG2-CE3 3.95Å; Y528-W532 HydrophobicContact CE1-CB 4.46Å; Y528-W532 HydrophobicContact CE1-CD2 4.45Å; Y528-W532 HydrophobicContact CE1-CE3 4.04Å; Y528-W532 HydrophobicContact CE2-CE3 4.48Å; Y528-W532 AromaticContact CZ-CE3 3.67Å; Y528-W532 WeakPolarHBondContact O-CB 3.17Å; Y528-W532 PolarHBondContact O-N 3.01Å; Y528-W532 WeakPolarHBondContact OH-CZ3 3.41Å
533N91.5Very high95.8Very high106 Ų10666 Ų6657%0.56735%0.35SS*.Hα-helixtrans-91.4-4.5-178.5-68.8-64.9000114.1D529 A531D529-N533 PolarHBondContact O-N 2.87Å; D529-N533 PolarHBondContact O-ND2 2.8Å; A531-N533 PolarHBondContact O-N 3.04Å; A531-N533 VanDerWaalsContact O-N 3.15Å
534S95Very high95.8Very high32 Ų3265.7 Ų65.722%0.22435%0.348CS..SBendtrans-69.9154.5-17374.90000113.1A530 A531 V536 V537 K538A530-S534 PolarHBondContact O-N 2.91Å; A531-S534 WeakPolarHBondContact O-CB 3.3Å; A531-S534 PolarHBondContact O-N 3.4Å; A531-S534 PolarHBondContact O-OG 3.38Å; S534-V536 PolarHBondContact O-N 2.88Å; S534-V537 PolarHBondContact O-N 3.33Å; S534-V537 WeakPolarHBondContact OG-CG2 3.43Å; S534-V537 PolarHBondContact OG-N 3Å; S534-V537 VanDerWaalsContact OG-N 3.11Å; S534-K538 WeakPolarHBondContact O-CG 3.31Å; S534-K538 PolarHBondContact O-N 3.38Å
535F92.1Very high95.9Very high172 Ų17262.5 Ų62.575%0.75434%0.335SS*.Hα-helixtrans-61.6-34.8170.9178.6-97.8000112K538 S539F535-K538 PolarHBondContact O-N 3.13Å; F535-S539 WeakPolarHBondContact O-CB 3.39Å; F535-S539 PolarHBondContact O-N 3.47Å
536V94.4Very high95.9Very high82 Ų8268 Ų6850%0.49736%0.355SS..Hα-helixtrans-60.6-49.5178.9176.80000110.6A487 S534 K538 S539 L540A487-V536 HydrophobicContact CB-CG1 4.12Å; S534-V536 PolarHBondContact O-N 2.88Å; V536-K538 PolarHBondContact O-N 3.47Å; V536-S539 WeakPolarHBondContact O-CB 3.14Å; V536-S539 PolarHBondContact O-N 2.86Å; V536-L540 HydrophobicContact CG1-CD1 4.02Å; V536-L540 HydrophobicContact CG1-CG 4.49Å; V536-L540 WeakPolarHBondContact O-CG 3.34Å; V536-L540 PolarHBondContact O-N 3.37Å
537V97.1Very high95.9Very high0 Ų060.9 Ų60.90%032%0.324CS..Hα-helixtrans-64.3-42.6179166.60000111.6Q480 A483 V484 A487 A531 S534 S539 L540 V541Q480-V537 HydrophobicContact CG-CG1 3.91Å; A483-V537 HydrophobicContact CB-CG1 3.9Å; V484-V537 HydrophobicContact CB-CG2 4.49Å; V484-V537 HydrophobicContact CG2-CG1 3.98Å; V484-V537 HydrophobicContact CG2-CG2 3.9Å; A487-V537 HydrophobicContact CB-CG2 3.89Å; A531-V537 HydrophobicContact CB-CG2 4.5Å; A531-V537 VanDerWaalsContact O-CB 3.29Å; A531-V537 WeakPolarHBondContact O-CB 3.47Å; A531-V537 WeakPolarHBondContact O-CG2 3.35Å; S534-V537 PolarHBondContact O-N 3.33Å; S534-V537 WeakPolarHBondContact OG-CG2 3.43Å; S534-V537 PolarHBondContact OG-N 3Å; S534-V537 VanDerWaalsContact OG-N 3.11Å; V537-S539 VanDerWaalsContact C-N 3.29Å; V537-S539 PolarHBondContact O-N 3.17Å; V537-L540 PolarHBondContact O-N 2.83Å; V537-L540 VanDerWaalsContact O-N 3.16Å; V537-V541 HydrophobicContact CG1-CG2 4.49Å; V537-V541 WeakPolarHBondContact O-CG2 3.35Å; V537-V541 PolarHBondContact O-N 2.89Å
538K93.2Very high95.9Very high129 Ų12957.3 Ų57.356%0.56131%0.31SS*.Hα-helixtrans-59-41.1174.4-69.5176.3-176.7174.90112.3S534 F535 V536 A542S534-K538 WeakPolarHBondContact O-CG 3.31Å; S534-K538 PolarHBondContact O-N 3.38Å; F535-K538 PolarHBondContact O-N 3.13Å; V536-K538 PolarHBondContact O-N 3.47Å; K538-A542 PolarHBondContact O-N 3.47Å; K538-A542 VanDerWaalsContact O-N 3.08Å
539S92.1Very high95.8Very high61 Ų6160.4 Ų60.443%0.42734%0.337SS..Hα-helixtrans-65.8-41.2175.6-172.40000112F535 V536 V537 A542 Q543F535-S539 WeakPolarHBondContact O-CB 3.39Å; F535-S539 PolarHBondContact O-N 3.47Å; V536-S539 WeakPolarHBondContact O-CB 3.14Å; V536-S539 PolarHBondContact O-N 2.86Å; V537-S539 VanDerWaalsContact C-N 3.29Å; V537-S539 PolarHBondContact O-N 3.17Å; S539-A542 PolarHBondContact O-N 3.09Å; S539-Q543 VanDerWaalsContact O-CB 3.31Å; S539-Q543 WeakPolarHBondContact O-CB 3.31Å; S539-Q543 PolarHBondContact O-N 3.48Å
540L97.5Very high95.7Very high26 Ų2661.2 Ų61.214%0.13634%0.341CS..Hα-helixtrans-67-38.9177.2-74.8171.1000112A483 M486 A487 V536 V537 Q543 Q544A483-L540 HydrophobicContact CB-CB 3.69Å; A483-L540 WeakPolarHBondContact O-CD1 3.33Å; M486-L540 HydrophobicContact CB-CD1 4.16Å; M486-L540 HydrophobicContact CE-CD2 4.12Å; A487-L540 HydrophobicContact CB-CD1 4.01Å; V536-L540 HydrophobicContact CG1-CD1 4.02Å; V536-L540 HydrophobicContact CG1-CG 4.49Å; V536-L540 WeakPolarHBondContact O-CG 3.34Å; V536-L540 PolarHBondContact O-N 3.37Å; V537-L540 PolarHBondContact O-N 2.83Å; V537-L540 VanDerWaalsContact O-N 3.16Å; L540-Q543 PolarHBondContact O-N 3.29Å; L540-Q544 VanDerWaalsContact O-CG 3.29Å; L540-Q544 WeakPolarHBondContact O-CG 3.43Å; L540-Q544 PolarHBondContact O-N 3.31Å
541V98Very high95.6Very high23 Ų2358.7 Ų58.714%0.13932%0.319CS..Hα-helixtrans-60.2-51.4172.1172.90000110.5Q480 A483 V537 Q543 Q544 E545Q480-V541 HydrophobicContact CB-CG2 4.03Å; Q480-V541 HydrophobicContact CG-CG2 4.16Å; A483-V541 HydrophobicContact CB-CG2 3.71Å; V537-V541 HydrophobicContact CG1-CG2 4.49Å; V537-V541 WeakPolarHBondContact O-CG2 3.35Å; V537-V541 PolarHBondContact O-N 2.89Å; V541-Q543 PolarHBondContact O-N 3.11Å; V541-Q544 WeakPolarHBondContact O-CB 3.33Å; V541-Q544 PolarHBondContact O-N 2.9Å; V541-Q544 VanDerWaalsContact O-N 3.16Å; V541-E545 WeakPolarHBondContact O-CG 3.43Å; V541-E545 PolarHBondContact O-N 3.39Å
542A96.3Very high95.4Very high53 Ų5364.8 Ų64.844%0.43835%0.346SS..Hα-helixtrans-60.3-34.8177.400000112.4K538 S539 K546K538-A542 PolarHBondContact O-N 3.47Å; K538-A542 VanDerWaalsContact O-N 3.08Å; S539-A542 PolarHBondContact O-N 3.09Å; A542-K546 WeakPolarHBondContact O-CB 3.48Å; A542-K546 PolarHBondContact O-N 2.99Å
543Q96.2Very high95.3Very high87 Ų8764 Ų6441%0.40735%0.345SS..Hα-helixtrans-66.9-43.3175.8-177.3174.23.400112.1Y465 S539 L540 V541 A547Y465-Q543 HydrophobicContact CE2-CG 4.4Å; Y465-Q543 VanDerWaalsContact OH-CD 3.29Å; Y465-Q543 PolarHBondContact OH-NE2 3.37Å; S539-Q543 VanDerWaalsContact O-CB 3.31Å; S539-Q543 WeakPolarHBondContact O-CB 3.31Å; S539-Q543 PolarHBondContact O-N 3.48Å; L540-Q543 PolarHBondContact O-N 3.29Å; V541-Q543 PolarHBondContact O-N 3.11Å; Q543-A547 WeakPolarHBondContact O-CB 3.41Å; Q543-A547 PolarHBondContact O-N 3.4Å
544Q98Very high95.4Very high1 Ų170 Ų701%0.00536%0.359CS..Hα-helixtrans-60.2-50.1175.2-71.6178.590.900111.3Y465 H466 T479 W482 L540 V541 A547 A548Y465-Q544 HydrophobicContact CD1-CG 3.53Å; Y465-Q544 HydrophobicContact CD2-CG 4.31Å; Y465-Q544 HydrophobicContact CE1-CG 4.17Å; Y465-Q544 HydrophobicContact CG-CB 4.25Å; Y465-Q544 HydrophobicContact CG-CG 3.65Å; H466-Q544 PolarHBondContact O-OE1 2.61Å; T479-Q544 HydrophobicContact CG2-CB 4.49Å; T479-Q544 PolarHBondContact O-NE2 3.4Å; T479-Q544 VanDerWaalsContact O-NE2 3.16Å; W482-Q544 VanDerWaalsContact CD1-OE1 3.29Å; L540-Q544 VanDerWaalsContact O-CG 3.29Å; L540-Q544 WeakPolarHBondContact O-CG 3.43Å; L540-Q544 PolarHBondContact O-N 3.31Å; V541-Q544 WeakPolarHBondContact O-CB 3.33Å; V541-Q544 PolarHBondContact O-N 2.9Å; V541-Q544 VanDerWaalsContact O-N 3.16Å; Q544-A547 PolarHBondContact O-N 2.98Å; Q544-A548 PolarHBondContact O-N 3.2Å
545E97.4Very high95.3Very high86 Ų8670 Ų7040%0.40236%0.364SS..Hα-helixtrans-63-45.4-179.7-67.4-179.9162.600111.8N468 V541 A548 A549N468-E545 WeakPolarHBondContact ND2-CG 3.26Å; N468-E545 PolarHBondContact ND2-OE1 3.35Å; V541-E545 WeakPolarHBondContact O-CG 3.43Å; V541-E545 PolarHBondContact O-N 3.39Å; E545-A548 PolarHBondContact O-N 3.09Å; E545-A549 PolarHBondContact O-N 3.08Å
546K96Very high95.6Very high132 Ų13262.8 Ų62.857%0.57433%0.334SS*.Hα-helixtrans-62.8-44.8176.9-176.6-176.9174.3-168.50111.3A542 A548 A549 D550A542-K546 WeakPolarHBondContact O-CB 3.48Å; A542-K546 PolarHBondContact O-N 2.99Å; K546-A548 VanDerWaalsContact C-N 3.32Å; K546-A548 PolarHBondContact O-N 3.22Å; K546-A549 PolarHBondContact O-N 2.88Å; K546-A549 VanDerWaalsContact O-N 3.17Å; K546-D550 WeakPolarHBondContact CE-OD2 3.32Å; K546-D550 WeakPolarHBondContact O-CB 3.35Å; K546-D550 VanDerWaalsContact O-CG 3.26Å; K546-D550 PolarHBondContact O-N 3.19Å
547A96.6Very high95.8Very high15 Ų1560.6 Ų60.612%0.12432%0.322CS..Hα-helixtrans-61.3-41.6179.400000111.6L429 F431 Y465 Q543 Q544 A549 D550 V551L429-A547 HydrophobicContact CD2-CB 4.28Å; F431-A547 HydrophobicContact CE1-CB 4.27Å; F431-A547 HydrophobicContact CZ-CB 3.86Å; Y465-A547 HydrophobicContact CD2-CB 3.7Å; Y465-A547 HydrophobicContact CE2-CB 3.6Å; Q543-A547 WeakPolarHBondContact O-CB 3.41Å; Q543-A547 PolarHBondContact O-N 3.4Å; Q544-A547 PolarHBondContact O-N 2.98Å; A547-A549 VanDerWaalsContact C-N 3.33Å; A547-A549 PolarHBondContact O-N 3.44Å; A547-D550 PolarHBondContact O-N 2.8Å; A547-V551 WeakPolarHBondContact O-CG2 3.46Å; A547-V551 PolarHBondContact O-N 3.31Å
548A96.6Very high95.8Very high18 Ų1860.9 Ų60.915%0.14932%0.324CS..Hα-helixtrans-63.3-39175.700000112.2F431 Q544 E545 K546 Q552 L553F431-A548 HydrophobicContact CD1-CB 4.33Å; F431-A548 HydrophobicContact CE1-CB 3.74Å; F431-A548 HydrophobicContact CZ-CB 4.22Å; Q544-A548 PolarHBondContact O-N 3.2Å; E545-A548 PolarHBondContact O-N 3.09Å; K546-A548 VanDerWaalsContact C-N 3.32Å; K546-A548 PolarHBondContact O-N 3.22Å; A548-Q552 PolarHBondContact O-N 3.37Å; A548-L553 HydrophobicContact CB-CB 4.25Å; A548-L553 HydrophobicContact CB-CD2 4.03Å; A548-L553 WeakPolarHBondContact O-CB 3.4Å; A548-L553 PolarHBondContact O-N 2.82Å
549A95.2Very high96Very high69 Ų6954.8 Ų54.857%0.5730%0.298SS*.Hα-helixtrans-69.3-43.4175.900000112.6E545 K546 A547 V551 Q552E545-A549 PolarHBondContact O-N 3.08Å; K546-A549 PolarHBondContact O-N 2.88Å; K546-A549 VanDerWaalsContact O-N 3.17Å; A547-A549 VanDerWaalsContact C-N 3.33Å; A547-A549 PolarHBondContact O-N 3.44Å; A549-V551 VanDerWaalsContact C-N 3.31Å; A549-V551 PolarHBondContact O-N 2.79Å; A549-Q552 PolarHBondContact O-N 3.42Å
550D95Very high96.3Very high75 Ų7552 Ų5240%0.40128%0.278SS..Hα-helixtrans-62.1-37.3-177.8-75.3-14.4000111.6V422 K546 A547 Q552V422-D550 HydrophobicContact CG1-CB 3.83Å; V422-D550 HydrophobicContact CG2-CB 4.04Å; K546-D550 WeakPolarHBondContact CE-OD2 3.32Å; K546-D550 WeakPolarHBondContact O-CB 3.35Å; K546-D550 VanDerWaalsContact O-CG 3.26Å; K546-D550 PolarHBondContact O-N 3.19Å; A547-D550 PolarHBondContact O-N 2.8Å; D550-Q552 VanDerWaalsContact C-N 3.33Å
551V95Very high96.3Very high14 Ų1450.8 Ų50.89%0.08527%0.272CS..THydrogen-bonded Turntrans-86.71.2175.2-55.10000114V422 F431 A547 A549 L553 F560V422-V551 HydrophobicContact CG2-CG1 3.94Å; F431-V551 HydrophobicContact CE2-CG2 3.83Å; F431-V551 HydrophobicContact CZ-CG2 4.21Å; A547-V551 WeakPolarHBondContact O-CG2 3.46Å; A547-V551 PolarHBondContact O-N 3.31Å; A549-V551 VanDerWaalsContact C-N 3.31Å; A549-V551 PolarHBondContact O-N 2.79Å; V551-L553 VanDerWaalsContact C-N 3.33Å; V551-L553 HydrophobicContact CG2-CB 3.95Å; V551-L553 HydrophobicContact CG2-CD1 4.47Å; V551-L553 PolarHBondContact O-N 3.15Å; V551-F560 HydrophobicContact CB-CD1 4.28Å; V551-F560 HydrophobicContact CB-CE1 3.8Å; V551-F560 HydrophobicContact CB-CE2 4.48Å; V551-F560 HydrophobicContact CB-CZ 3.93Å; V551-F560 HydrophobicContact CG1-CD1 4.22Å; V551-F560 HydrophobicContact CG1-CE1 4.25Å; V551-F560 HydrophobicContact CG1-CG 4.47Å; V551-F560 HydrophobicContact CG2-CE1 4.1Å; V551-F560 HydrophobicContact CG2-CE2 3.96Å; V551-F560 HydrophobicContact CG2-CZ 3.67Å
552Q93Very high96.1Very high138 Ų13852 Ų5265%0.64528%0.277SS*.THydrogen-bonded Turntrans51.150.1-174.6-56.3179.99.300112.4A548 A549 D550 R554A548-Q552 PolarHBondContact O-N 3.37Å; A549-Q552 PolarHBondContact O-N 3.42Å; D550-Q552 VanDerWaalsContact C-N 3.33Å; Q552-R554 PolarHBondContact O-N 2.69Å
553L96Very high95.9Very high26 Ų2649.5 Ų49.514%0.13626%0.257CS..  trans-57.5124.9-172.1-172.464.3000112.1F431 V467 F469 A548 V551 G555 V556 A558 F560F431-L553 HydrophobicContact CB-CD1 4.28Å; F431-L553 HydrophobicContact CB-CD2 3.63Å; F431-L553 HydrophobicContact CD1-CD2 3.67Å; F431-L553 HydrophobicContact CD2-CD1 4.02Å; F431-L553 HydrophobicContact CD2-CD2 3.97Å; F431-L553 HydrophobicContact CE1-CD2 4.26Å; F431-L553 HydrophobicContact CG-CD1 4.25Å; F431-L553 HydrophobicContact CG-CD2 3.48Å; F431-L553 VanDerWaalsContact CG-CD2 3.48Å; V467-L553 HydrophobicContact CG1-CD2 3.46Å; V467-L553 VanDerWaalsContact CG1-CD2 3.46Å; F469-L553 HydrophobicContact CE1-CD2 3.93Å; F469-L553 HydrophobicContact CE1-CG 4.36Å; F469-L553 HydrophobicContact CZ-CD2 4.24Å; A548-L553 HydrophobicContact CB-CB 4.25Å; A548-L553 HydrophobicContact CB-CD2 4.03Å; A548-L553 WeakPolarHBondContact O-CB 3.4Å; A548-L553 PolarHBondContact O-N 2.82Å; V551-L553 VanDerWaalsContact C-N 3.33Å; V551-L553 HydrophobicContact CG2-CB 3.95Å; V551-L553 HydrophobicContact CG2-CD1 4.47Å; V551-L553 PolarHBondContact O-N 3.15Å; L553-G555 WeakPolarHBondContact CD1-O 3.37Å; L553-V556 HydrophobicContact CD2-CG1 4.15Å; L553-A558 HydrophobicContact CD1-CB 3.74Å; L553-F560 HydrophobicContact CD1-CE2 3.82Å; L553-F560 HydrophobicContact CD1-CZ 4.01Å
554R92.3Very high95.9Very high231 Ų23148.8 Ų48.887%0.87225%0.253SS*.  trans-101.4-15.5-177.2-72.7-175.1-91.7169.1-5.8114.7Q552Q552-R554 PolarHBondContact O-N 2.69Å
555G94.2Very high95.8Very high32 Ų3249.6 Ų49.633%0.3326%0.256SS..SBendtrans178.6173.9-176.700000112.1L553L553-G555 WeakPolarHBondContact CD1-O 3.37Å
556V97.5Very high95.8Very high20 Ų2047.8 Ų47.812%0.12125%0.247CC..SBendtrans-138.6150.6-179.9-67.50000110.9F431 C436 V467 F469 M470 L553F431-V556 HydrophobicContact CB-CG1 3.79Å; F431-V556 WeakPolarHBondContact O-CG1 3.33Å; C436-V556 HydrophobicContact CB-CG2 3.99Å; C436-V556 PolarHBondContact SG-O 3.09Å; V467-V556 HydrophobicContact CG1-CG1 3.78Å; V467-V556 HydrophobicContact CG2-CG1 3.92Å; V467-V556 HydrophobicContact CG2-CG2 4.14Å; F469-V556 HydrophobicContact CZ-CG1 4.19Å; M470-V556 HydrophobicContact SD-CG2 3.59Å; M470-V556 VanDerWaalsContact SD-CG2 3.59Å; L553-V556 HydrophobicContact CD2-CG1 4.15Å
557P97.8Very high95.9Very high36 Ų3641.7 Ų41.723%0.23422%0.221CC..SBendcis-70.5145.30.530-34.1000112F431 H438 C439 F442F431-P557 WeakPolarHBondContact O-CA 3.25Å; H438-P557 HydrophobicContact CB-CG 4.4Å; C439-P557 VanDerWaalsContact SG-N 3.44Å; F442-P557 HydrophobicContact CB-CB 4.39Å; F442-P557 HydrophobicContact CB-CG 4.11Å; F442-P557 HydrophobicContact CD2-CB 4.17Å; F442-P557 HydrophobicContact CD2-CG 3.9Å; F442-P557 HydrophobicContact CG-CB 4.14Å; F442-P557 HydrophobicContact CG-CG 4.12Å
558A98Very high95.9Very high7 Ų742.6 Ų42.66%0.05822%0.224CC..EExtended strand (participates in β ladder)trans-143.6134.2176.300000110.3E430 F431 L553 F560E430-A558 CarbonylContact C-O 3.57Å; E430-A558 WeakPolarHBondContact CA-O 3.32Å; F431-A558 PolarHBondContact N-O 3.4Å; F431-A558 PolarHBondContact O-N 2.8Å; F431-A558 VanDerWaalsContact O-N 3.08Å; L553-A558 HydrophobicContact CD1-CB 3.74Å; A558-F560 HydrophobicContact CB-CE2 3.91Å
559M98.3Very high95.7Very high0 Ų044 Ų440%023%0.231CC..EExtended strand (participates in β ladder)trans-119.3139.2177.6-164175.4-62.500110.8V428 L429 E430 F442 V452 M462 L567 Y584 V588V428-M559 HydrophobicContact CG1-CG 3.98Å; V428-M559 HydrophobicContact CG1-SD 3.6Å; V428-M559 VanDerWaalsContact CG1-SD 3.6Å; L429-M559 CarbonylContact O-C 3.52Å; L429-M559 VanDerWaalsContact O-CA 3.29Å; L429-M559 WeakPolarHBondContact O-CA 3.45Å; E430-M559 HydrophobicContact CB-CE 4.25Å; E430-M559 HydrophobicContact CG-CE 4.25Å; F442-M559 HydrophobicContact CE1-CE 4.14Å; F442-M559 HydrophobicContact CZ-CE 3.98Å; V452-M559 HydrophobicContact CG1-SD 4.31Å; V452-M559 HydrophobicContact CG2-CE 4.28Å; V452-M559 HydrophobicContact CG2-SD 4.38Å; M462-M559 HydrophobicContact CE-CE 3.42Å; M462-M559 VanDerWaalsContact CE-CE 3.42Å; M462-M559 HydrophobicContact CE-SD 4.35Å; M559-L567 HydrophobicContact CB-CB 4.39Å; M559-L567 HydrophobicContact CB-CD2 4.13Å; M559-L567 HydrophobicContact CB-CG 4.28Å; M559-L567 HydrophobicContact CG-CD2 4.3Å; M559-L567 WeakPolarHBondContact O-CD2 3.48Å; M559-L567 PolarHBondContact O-N 3.29Å; M559-Y584 HydrophobicContact CB-CE1 4.32Å; M559-Y584 WeakPolarHBondContact CB-OH 3.33Å; M559-Y584 HydrophobicContact CE-CE1 3.85Å; M559-Y584 HydrophobicContact SD-CE1 3.88Å; M559-V588 HydrophobicContact SD-CG1 4.29Å; M559-V588 HydrophobicContact SD-CG2 3.6Å; M559-V588 VanDerWaalsContact SD-CG2 3.6Å
560F97.7Very high95.4Very high3 Ų349.5 Ų49.51%0.01325%0.245CC..EExtended strand (participates in β ladder)trans-125144.3179.1-61.7-97.7000110.1L418 V428 L429 F431 V551 L553 A558 Y565 Q566L418-F560 HydrophobicContact CD1-CD1 4.05Å; L418-F560 HydrophobicContact CD1-CE1 4.39Å; L418-F560 HydrophobicContact CD2-CD1 4.2Å; L418-F560 HydrophobicContact CD2-CE1 3.93Å; V428-F560 WeakPolarHBondContact CA-O 3.19Å; L429-F560 PolarHBondContact N-O 3.28Å; L429-F560 PolarHBondContact O-N 2.96Å; F431-F560 AromaticContact CD2-CD2 3.81Å; F431-F560 HydrophobicContact CD2-CD2 3.81Å; F431-F560 AromaticContact CD2-CE2 3.66Å; F431-F560 HydrophobicContact CD2-CE2 3.66Å; F431-F560 AromaticContact CE2-CD2 3.86Å; F431-F560 HydrophobicContact CE2-CD2 3.86Å; F431-F560 AromaticContact CE2-CE2 3.87Å; F431-F560 HydrophobicContact CE2-CE2 3.87Å; V551-F560 HydrophobicContact CB-CD1 4.28Å; V551-F560 HydrophobicContact CB-CE1 3.8Å; V551-F560 HydrophobicContact CB-CE2 4.48Å; V551-F560 HydrophobicContact CB-CZ 3.93Å; V551-F560 HydrophobicContact CG1-CD1 4.22Å; V551-F560 HydrophobicContact CG1-CE1 4.25Å; V551-F560 HydrophobicContact CG1-CG 4.47Å; V551-F560 HydrophobicContact CG2-CE1 4.1Å; V551-F560 HydrophobicContact CG2-CE2 3.96Å; V551-F560 HydrophobicContact CG2-CZ 3.67Å; L553-F560 HydrophobicContact CD1-CE2 3.82Å; L553-F560 HydrophobicContact CD1-CZ 4.01Å; A558-F560 HydrophobicContact CB-CE2 3.91Å; F560-Y565 CarbonylContact C-O 3.54Å; F560-Y565 WeakPolarHBondContact CA-O 3.48Å; F560-Q566 HydrophobicContact CD1-CB 3.72Å; F560-Q566 HydrophobicContact CD1-CG 4Å; F560-Q566 HydrophobicContact CE1-CB 3.59Å; F560-Q566 HydrophobicContact CE1-CG 3.57Å; F560-Q566 HydrophobicContact CE2-CG 4.46Å; F560-Q566 HydrophobicContact CZ-CB 4.36Å; F560-Q566 HydrophobicContact CZ-CG 3.83Å
561V97Very high95.1Very high0 Ų047 Ų470%024%0.237CC..EExtended strand (participates in β ladder)trans-123.5130.5-179.7-175.10000110.2Q427 G563 K564 Y565 L567 V588 L591Q427-V561 CarbonylContact O-C 3.57Å; Q427-V561 VanDerWaalsContact O-CA 3.31Å; Q427-V561 WeakPolarHBondContact O-CA 3.4Å; V561-G563 PolarHBondContact O-N 3.05Å; V561-K564 PolarHBondContact O-N 3.39Å; V561-Y565 PolarHBondContact N-O 2.89Å; V561-Y565 PolarHBondContact O-N 3.39Å; V561-Y565 VanDerWaalsContact O-N 3.1Å; V561-L567 HydrophobicContact CG2-CD2 3.66Å; V561-V588 HydrophobicContact CG2-CG1 4.02Å; V561-L591 HydrophobicContact CB-CB 3.88Å; V561-L591 HydrophobicContact CB-CD1 4.49Å; V561-L591 HydrophobicContact CG1-CB 3.72Å; V561-L591 HydrophobicContact CG2-CB 4.13Å; V561-L591 HydrophobicContact CG2-CD1 4.33Å
562N93.4Very high95Very high48 Ų4846.9 Ų46.926%0.25724%0.236SC..THydrogen-bonded Turntrans53.421.9179.8-69.5-33.9000114.6Q427 K564 L591 S592Q427-N562 PolarHBondContact O-N 3.16Å; N562-K564 PolarHBondContact O-N 3.19Å; N562-K564 VanDerWaalsContact O-N 3.09Å; N562-L591 PolarHBondContact ND2-O 3.11Å; N562-S592 PolarHBondContact ND2-O 2.94Å
563G93.2Very high94.6Very high2 Ų243.6 Ų43.62%0.02122%0.223CC..THydrogen-bonded Turntrans59.215.9-171.500000114.1P421 V422 V561P421-G563 CarbonylContact C-O 3.46Å; P421-G563 VanDerWaalsContact CA-O 3.24Å; P421-G563 WeakPolarHBondContact CA-O 3.39Å; V422-G563 PolarHBondContact N-O 2.98Å; V561-G563 PolarHBondContact O-N 3.05Å
564K95.5Very high93.9Very high71 Ų7147.3 Ų47.331%0.30925%0.247SC..THydrogen-bonded Turntrans-116.6-30.7-174.8-72.9178.7-175.3-173.30113L418 P421 V561 N562 K595L418-K564 WeakPolarHBondContact CG-O 3.38Å; L418-K564 PolarHBondContact N-O 2.79Å; P421-K564 HydrophobicContact CB-CG 4.09Å; P421-K564 HydrophobicContact CG-CG 4.46Å; V561-K564 PolarHBondContact O-N 3.39Å; N562-K564 PolarHBondContact O-N 3.19Å; N562-K564 VanDerWaalsContact O-N 3.09Å; K564-K595 PolarHBondContact NZ-OXT 3.39Å
565Y96.9Very high93.2Very high18 Ų1841 Ų417%0.07124%0.238CC..EExtended strand (participates in β ladder)trans-127.8141.5-170.4-47.9-68.6000110.1Y415 T417 F560 V561 L591 K594Y415-Y565 AromaticContact CD2-CD1 3.82Å; Y415-Y565 HydrophobicContact CD2-CD1 3.82Å; Y415-Y565 HydrophobicContact CD2-CG 4.26Å; Y415-Y565 AromaticContact CE2-CD1 3.84Å; Y415-Y565 HydrophobicContact CE2-CD1 3.84Å; Y415-Y565 HydrophobicContact CE2-CE1 4.23Å; T417-Y565 HydrophobicContact CG2-CD1 4.42Å; T417-Y565 HydrophobicContact CG2-CE1 4.36Å; F560-Y565 CarbonylContact C-O 3.54Å; F560-Y565 WeakPolarHBondContact CA-O 3.48Å; V561-Y565 PolarHBondContact N-O 2.89Å; V561-Y565 PolarHBondContact O-N 3.39Å; V561-Y565 VanDerWaalsContact O-N 3.1Å; Y565-L591 HydrophobicContact CD1-CD2 4.23Å; Y565-L591 HydrophobicContact CD2-CB 4.11Å; Y565-L591 HydrophobicContact CD2-CD2 3.84Å; Y565-L591 HydrophobicContact CD2-CG 4.4Å; Y565-L591 HydrophobicContact CE2-CD2 4.23Å; Y565-L591 HydrophobicContact CG-CD1 4.39Å; Y565-L591 HydrophobicContact CG-CD2 3.83Å; Y565-K594 HydrophobicContact CE1-CD 4.46Å; Y565-K594 HydrophobicContact CE2-CD 4.35Å
566Q97.6Very high92.3Very high48 Ų4841.6 Ų41.622%0.22423%0.234CC..EExtended strand (participates in β ladder)trans-109.8131.2168.3-176.7-178.8-10.500108.7Y415 T416 L418 F560Y415-Q566 CarbonylContact C-O 3.59Å; Y415-Q566 WeakPolarHBondContact CA-O 3.45Å; Y415-Q566 VanDerWaalsContact CB-O 3.28Å; Y415-Q566 WeakPolarHBondContact CB-O 3.27Å; T416-Q566 PolarHBondContact N-O 2.93Å; T416-Q566 PolarHBondContact O-N 2.69Å; L418-Q566 HydrophobicContact CD2-CB 4.07Å; F560-Q566 HydrophobicContact CD1-CB 3.72Å; F560-Q566 HydrophobicContact CD1-CG 4Å; F560-Q566 HydrophobicContact CE1-CB 3.59Å; F560-Q566 HydrophobicContact CE1-CG 3.57Å; F560-Q566 HydrophobicContact CE2-CG 4.46Å; F560-Q566 HydrophobicContact CZ-CB 4.36Å; F560-Q566 HydrophobicContact CZ-CG 3.83Å
567L97.6Very high91.6Very high5 Ų545.5 Ų45.53%0.02625%0.252CS..EExtended strand (participates in β ladder)trans-65.4139.8173.9-78.9-63.7000109.5M559 V561 P569 M572 Y584 T587 V588 L591M559-L567 HydrophobicContact CB-CB 4.39Å; M559-L567 HydrophobicContact CB-CD2 4.13Å; M559-L567 HydrophobicContact CB-CG 4.28Å; M559-L567 HydrophobicContact CG-CD2 4.3Å; M559-L567 WeakPolarHBondContact O-CD2 3.48Å; M559-L567 PolarHBondContact O-N 3.29Å; V561-L567 HydrophobicContact CG2-CD2 3.66Å; L567-P569 WeakPolarHBondContact O-CD 3.24Å; L567-M572 HydrophobicContact CD1-CE 3.91Å; L567-Y584 HydrophobicContact CB-CE1 4.45Å; L567-Y584 HydrophobicContact CB-CE2 4.42Å; L567-Y584 HydrophobicContact CG-CE1 4.03Å; L567-T587 HydrophobicContact CD1-CG2 3.38Å; L567-V588 HydrophobicContact CD1-CG2 4.01Å; L567-V588 HydrophobicContact CD2-CG2 4.02Å; L567-V588 HydrophobicContact CG-CG2 3.96Å; L567-L591 HydrophobicContact CD1-CD1 4.11Å; L567-L591 HydrophobicContact CD2-CD1 4.15Å
568N95.7Very high90.8Very high33 Ų3347.1 Ų47.118%0.17626%0.259CS..  trans-119.187.5-179.7-178.921.5000110.6G412 K413 Q414 Q570 G571G412-N568 PolarHBondContact O-ND2 3.21Å; K413-N568 WeakPolarHBondContact O-CB 3.43Å; K413-N568 PolarHBondContact O-ND2 2.93Å; Q414-N568 PolarHBondContact O-N 2.8Å; N568-Q570 PolarHBondContact O-N 3Å; N568-Q570 VanDerWaalsContact O-N 3.15Å; N568-Q570 PolarHBondContact OD1-N 3.13Å; N568-G571 PolarHBondContact O-N 2.96Å
569P92.6Very high90.1Very high47 Ų4748.9 Ų48.931%0.30527%0.269SS..G310 helixtrans-59.9-26-179.9-22.633.3000113.7L567 G571 M572 F580 Y584L567-P569 WeakPolarHBondContact O-CD 3.24Å; P569-G571 VanDerWaalsContact C-N 3.26Å; P569-G571 PolarHBondContact O-N 3.19Å; P569-M572 WeakPolarHBondContact O-CB 3.22Å; P569-M572 PolarHBondContact O-N 2.97Å; P569-F580 HydrophobicContact CB-CE2 3.95Å; P569-F580 HydrophobicContact CB-CZ 3.97Å; P569-Y584 HydrophobicContact CG-CE2 4Å
570Q89.5Confident89.6Confident185 Ų18549.9 Ų49.986%0.86427%0.273SS*.G310 helixtrans-71.5-21.7-177.5-62.9179.82.900112.9N568N568-Q570 PolarHBondContact O-N 3Å; N568-Q570 VanDerWaalsContact O-N 3.15Å; N568-Q570 PolarHBondContact OD1-N 3.13Å
571G89.6Confident89.3Confident23 Ų2350 Ų5024%0.23727%0.274CS..G310 helixtrans-977.617400000113.9K413 N568 P569K413-G571 WeakPolarHBondContact CG-O 3.4Å; K413-G571 VanDerWaalsContact O-CA 3.3Å; K413-G571 WeakPolarHBondContact O-CA 3.21Å; N568-G571 PolarHBondContact O-N 2.96Å; P569-G571 VanDerWaalsContact C-N 3.26Å; P569-G571 PolarHBondContact O-N 3.19Å
572M91.7Very high88.9Confident12 Ų1253.2 Ų53.26%0.05929%0.289CS..SBendtrans-91.9159.8176.3-67.3-179.2-178.200111.5Q414 L567 P569 T574 F580 Q583 Y584 T587Q414-M572 HydrophobicContact CB-CE 4.21Å; Q414-M572 HydrophobicContact CB-CG 4.42Å; Q414-M572 HydrophobicContact CG-CG 4.22Å; Q414-M572 WeakPolarHBondContact O-CE 3.2Å; L567-M572 HydrophobicContact CD1-CE 3.91Å; P569-M572 WeakPolarHBondContact O-CB 3.22Å; P569-M572 PolarHBondContact O-N 2.97Å; M572-T574 PolarHBondContact O-N 3.22Å; M572-F580 HydrophobicContact CB-CD2 3.85Å; M572-F580 HydrophobicContact CB-CE2 3.94Å; M572-F580 HydrophobicContact SD-CD2 4.3Å; M572-F580 HydrophobicContact SD-CE2 3.87Å; M572-Q583 HydrophobicContact CG-CG 4.46Å; M572-Y584 HydrophobicContact CE-CD2 4.05Å; M572-Y584 HydrophobicContact CE-CG 4.31Å; M572-Y584 HydrophobicContact SD-CD2 3.73Å; M572-Y584 HydrophobicContact SD-CG 4.21Å; M572-T587 HydrophobicContact CE-CG2 4.29Å
573D83.9Confident88.8Confident68 Ų6852.9 Ų52.936%0.36429%0.286SS..  trans-72.8113.7175.4-173.1-7.8000109.9S575 V579 F580D573-S575 WeakPolarHBondContact OD1-CB 3.29Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.02Å; D573-S575 PolarHBondContact OD2-OG 3.02Å; D573-V579 HydrophobicContact CB-CG1 4.05Å; D573-F580 WeakPolarHBondContact O-CA 3.35Å; D573-F580 VanDerWaalsContact O-CB 3.32Å; D573-F580 WeakPolarHBondContact O-CB 3.49Å
574T82.8Confident88.9Confident104 Ų10453 Ų5364%0.63829%0.285SS*.  trans-107.610.1177.8580000112.7M572 N576 F580M572-T574 PolarHBondContact O-N 3.22Å; T574-N576 PolarHBondContact O-N 3.49Å; T574-F580 HydrophobicContact CG2-CD2 4.03Å; T574-F580 HydrophobicContact CG2-CE2 4.45Å
575S76.3Confident88.9Confident100 Ų10049.6 Ų49.670%0.69927%0.271SS*.SBendtrans-64.2-27.517866.10000112.5D573D573-S575 WeakPolarHBondContact OD1-CB 3.29Å; D573-S575 PolarHBondContact OD1-N 3.37Å; D573-S575 PolarHBondContact OD1-OG 3.02Å; D573-S575 PolarHBondContact OD2-OG 3.02Å
576N75.8Confident88.7Confident44 Ų4451.1 Ų51.124%0.23528%0.28CS..SBendtrans-141137.2174.7175.1-67.2000109.1T574 D578 V579 F580T574-N576 PolarHBondContact O-N 3.49Å; N576-D578 WeakPolarHBondContact OD1-CA 3.49Å; N576-D578 WeakPolarHBondContact OD1-CB 3.46Å; N576-D578 PolarHBondContact OD1-N 3Å; N576-V579 HydrophobicContact CB-CB 4.08Å; N576-V579 HydrophobicContact CB-CG2 3.82Å; N576-V579 PolarHBondContact O-N 3.08Å; N576-V579 PolarHBondContact OD1-N 2.81Å; N576-F580 PolarHBondContact O-N 2.83Å
577M82.3Confident88.5Confident102 Ų10248.8 Ų48.850%0.50227%0.27SS..Hα-helixtrans-71.3-35.1-172.8-161.564.469.800112.9L446 F580 V581L446-M577 HydrophobicContact CD1-CG 4.33Å; L446-M577 HydrophobicContact CD1-SD 3.66Å; L446-M577 HydrophobicContact CD2-CE 4.42Å; L446-M577 HydrophobicContact CD2-CG 3.21Å; L446-M577 HydrophobicContact CD2-SD 3.62Å; L446-M577 HydrophobicContact CG-CG 4.37Å; L446-M577 HydrophobicContact CG-SD 4.3Å; M577-F580 WeakPolarHBondContact O-CB 3.35Å; M577-F580 PolarHBondContact O-N 2.8Å; M577-F580 HydrophobicContact SD-CD1 4.15Å; M577-V581 VanDerWaalsContact O-CG2 3.25Å; M577-V581 WeakPolarHBondContact O-CG2 3.47Å; M577-V581 PolarHBondContact O-N 3.4Å
578D81.2Confident88.4Confident70 Ų7048.6 Ų48.637%0.37427%0.268SS..Hα-helixtrans-70.3-39.3175.4-59.6-45.8000111.2A315 N576 F580 V581 Q582A315-D578 HydrophobicContact CB-CB 4.07Å; N576-D578 WeakPolarHBondContact OD1-CA 3.49Å; N576-D578 WeakPolarHBondContact OD1-CB 3.46Å; N576-D578 PolarHBondContact OD1-N 3Å; D578-F580 VanDerWaalsContact C-N 3.26Å; D578-F580 PolarHBondContact O-N 3.39Å; D578-V581 PolarHBondContact O-N 2.96Å; D578-Q582 WeakPolarHBondContact O-CB 3.48Å; D578-Q582 WeakPolarHBondContact O-CG 3.04Å; D578-Q582 PolarHBondContact O-N 3.36Å
579V83.4Confident88.3Confident44 Ų4451 Ų5127%0.26728%0.277SS..Hα-helixtrans-58.1-43.8172.4175.30000110.2D573 N576 Q583D573-V579 HydrophobicContact CB-CG1 4.05Å; N576-V579 HydrophobicContact CB-CB 4.08Å; N576-V579 HydrophobicContact CB-CG2 3.82Å; N576-V579 PolarHBondContact O-N 3.08Å; N576-V579 PolarHBondContact OD1-N 2.81Å; V579-Q583 WeakPolarHBondContact O-CB 3.34Å; V579-Q583 PolarHBondContact O-N 3.49Å
580F88.4Confident88.3Confident21 Ų2152.3 Ų52.39%0.09228%0.277CS..Hα-helixtrans-59.9-49.8174.6174.3-106.7000112L446 I448 P569 M572 D573 T574 N576 M577 D578 Q582 Q583 Y584L446-F580 HydrophobicContact CD1-CE1 4.45Å; I448-F580 HydrophobicContact CD1-CD1 4.32Å; I448-F580 HydrophobicContact CD1-CE1 3.66Å; P569-F580 HydrophobicContact CB-CE2 3.95Å; P569-F580 HydrophobicContact CB-CZ 3.97Å; M572-F580 HydrophobicContact CB-CD2 3.85Å; M572-F580 HydrophobicContact CB-CE2 3.94Å; M572-F580 HydrophobicContact SD-CD2 4.3Å; M572-F580 HydrophobicContact SD-CE2 3.87Å; D573-F580 WeakPolarHBondContact O-CA 3.35Å; D573-F580 VanDerWaalsContact O-CB 3.32Å; D573-F580 WeakPolarHBondContact O-CB 3.49Å; T574-F580 HydrophobicContact CG2-CD2 4.03Å; T574-F580 HydrophobicContact CG2-CE2 4.45Å; N576-F580 PolarHBondContact O-N 2.83Å; M577-F580 WeakPolarHBondContact O-CB 3.35Å; M577-F580 PolarHBondContact O-N 2.8Å; M577-F580 HydrophobicContact SD-CD1 4.15Å; D578-F580 VanDerWaalsContact C-N 3.26Å; D578-F580 PolarHBondContact O-N 3.39Å; F580-Q582 PolarHBondContact O-N 3.01Å; F580-Q583 PolarHBondContact O-N 2.89Å; F580-Y584 HydrophobicContact CE2-CD2 4.37Å; F580-Y584 AromaticContact CZ-CD2 3.96Å; F580-Y584 HydrophobicContact CZ-CD2 3.96Å; F580-Y584 WeakPolarHBondContact O-CB 3.36Å; F580-Y584 PolarHBondContact O-N 3.35Å
581V90.9Very high88.5Confident5 Ų543.5 Ų43.53%0.0324%0.236CC..Hα-helixtrans-60.3-46.5-179.9171.50000111.3L446 I448 N451 M577 D578 Y584 A585L446-V581 HydrophobicContact CB-CG2 4.12Å; I448-V581 HydrophobicContact CG1-CG1 4.4Å; I448-V581 HydrophobicContact CG1-CG2 3.88Å; N451-V581 HydrophobicContact CB-CG1 3.81Å; N451-V581 WeakPolarHBondContact ND2-CG1 3.38Å; M577-V581 VanDerWaalsContact O-CG2 3.25Å; M577-V581 WeakPolarHBondContact O-CG2 3.47Å; M577-V581 PolarHBondContact O-N 3.4Å; D578-V581 PolarHBondContact O-N 2.96Å; V581-Y584 PolarHBondContact O-N 3.41Å; V581-A585 PolarHBondContact O-N 2.91Å
582Q89.4Confident88.6Confident67 Ų6743.2 Ų43.231%0.31323%0.23SC..Hα-helixtrans-65.9-47.1179.2-66.5-52.7-41.800111.4N451 D578 F580 Y584 A585 D586N451-Q582 PolarHBondContact OD1-NE2 2.81Å; D578-Q582 WeakPolarHBondContact O-CB 3.48Å; D578-Q582 WeakPolarHBondContact O-CG 3.04Å; D578-Q582 PolarHBondContact O-N 3.36Å; F580-Q582 PolarHBondContact O-N 3.01Å; Q582-Y584 VanDerWaalsContact C-N 3.27Å; Q582-Y584 PolarHBondContact O-N 3.38Å; Q582-A585 PolarHBondContact O-N 3.21Å; Q582-D586 WeakPolarHBondContact O-CB 3.4Å; Q582-D586 VanDerWaalsContact O-CG 3.31Å; Q582-D586 PolarHBondContact O-N 3.43Å; Q582-D586 VanDerWaalsContact O-OD2 3.07Å
583Q91.3Very high88.4Confident42 Ų4248.1 Ų48.120%0.19625%0.252CS..Hα-helixtrans-60.6-38.2177.3-176174.467.500111.8Y409 M572 V579 F580 T587Y409-Q583 HydrophobicContact CE1-CG 4.3Å; M572-Q583 HydrophobicContact CG-CG 4.46Å; V579-Q583 WeakPolarHBondContact O-CB 3.34Å; V579-Q583 PolarHBondContact O-N 3.49Å; F580-Q583 PolarHBondContact O-N 2.89Å; Q583-T587 WeakPolarHBondContact O-CB 3.42Å; Q583-T587 PolarHBondContact O-N 3.08Å; Q583-T587 PolarHBondContact O-OG1 2.88Å
584Y95.3Very high88.4Confident3 Ų347.6 Ų47.61%0.01225%0.247CC..Hα-helixtrans-60.6-53.3175.3-162-67.9000110.7F442 I448 V452 M559 L567 P569 M572 F580 V581 Q582 D586 T587 V588F442-Y584 HydrophobicContact CE2-CD2 4.35Å; F442-Y584 HydrophobicContact CE2-CE1 4.32Å; F442-Y584 AromaticContact CE2-CE2 3.67Å; F442-Y584 HydrophobicContact CE2-CE2 3.67Å; F442-Y584 AromaticContact CE2-CZ 3.67Å; F442-Y584 AromaticContact CZ-CE1 3.88Å; F442-Y584 HydrophobicContact CZ-CE1 3.88Å; F442-Y584 HydrophobicContact CZ-CE2 4.09Å; F442-Y584 AromaticContact CZ-CZ 3.61Å; I448-Y584 HydrophobicContact CG2-CD1 3.58Å; I448-Y584 HydrophobicContact CG2-CD2 4.34Å; I448-Y584 HydrophobicContact CG2-CE1 3.98Å; I448-Y584 HydrophobicContact CG2-CG 3.81Å; V452-Y584 HydrophobicContact CG2-CD1 4.06Å; V452-Y584 HydrophobicContact CG2-CE1 4.41Å; M559-Y584 HydrophobicContact CB-CE1 4.32Å; M559-Y584 WeakPolarHBondContact CB-OH 3.33Å; M559-Y584 HydrophobicContact CE-CE1 3.85Å; M559-Y584 HydrophobicContact SD-CE1 3.88Å; L567-Y584 HydrophobicContact CB-CE1 4.45Å; L567-Y584 HydrophobicContact CB-CE2 4.42Å; L567-Y584 HydrophobicContact CG-CE1 4.03Å; P569-Y584 HydrophobicContact CG-CE2 4Å; M572-Y584 HydrophobicContact CE-CD2 4.05Å; M572-Y584 HydrophobicContact CE-CG 4.31Å; M572-Y584 HydrophobicContact SD-CD2 3.73Å; M572-Y584 HydrophobicContact SD-CG 4.21Å; F580-Y584 HydrophobicContact CE2-CD2 4.37Å; F580-Y584 AromaticContact CZ-CD2 3.96Å; F580-Y584 HydrophobicContact CZ-CD2 3.96Å; F580-Y584 WeakPolarHBondContact O-CB 3.36Å; F580-Y584 PolarHBondContact O-N 3.35Å; V581-Y584 PolarHBondContact O-N 3.41Å; Q582-Y584 VanDerWaalsContact C-N 3.27Å; Q582-Y584 PolarHBondContact O-N 3.38Å; Y584-D586 VanDerWaalsContact C-N 3.34Å; Y584-D586 PolarHBondContact O-N 3.17Å; Y584-T587 PolarHBondContact O-N 2.86Å; Y584-V588 HydrophobicContact CD1-CG2 3.99Å; Y584-V588 HydrophobicContact CE1-CG2 3.92Å; Y584-V588 WeakPolarHBondContact O-CG2 3.37Å; Y584-V588 PolarHBondContact O-N 3.05Å
585A94.2Very high87.5Confident1 Ų153.5 Ų53.51%0.00826%0.264CS..Hα-helixtrans-62.2-40.3-179.100000112.5N451 V452 K455 V581 Q582 V588 K589N451-A585 HydrophobicContact CB-CB 4.27Å; V452-A585 HydrophobicContact CG2-CB 4.14Å; K455-A585 HydrophobicContact CD-CB 3.86Å; K455-A585 HydrophobicContact CG-CB 4.48Å; V581-A585 PolarHBondContact O-N 2.91Å; Q582-A585 PolarHBondContact O-N 3.21Å; A585-V588 PolarHBondContact O-N 3.03Å; A585-K589 PolarHBondContact O-N 3.16Å
586D92.5Very high88Confident49 Ų4951.2 Ų51.226%0.26224%0.242SC..Hα-helixtrans-70.2-35177.5-66.9-40.5000112.7Y409 K455 Q582 Y584 V588 K589 Y590Y409-D586 WeakPolarHBondContact OH-CB 3.21Å; K455-D586 WeakPolarHBondContact CD-OD1 3.31Å; K455-D586 WeakPolarHBondContact CE-OD1 3.12Å; K455-D586 IonicContact NZ-OD1 3.31Å; K455-D586 PolarHBondContact NZ-OD1 2.88Å; K455-D586 IonicContact NZ-OD2 2.8Å; K455-D586 PolarHBondContact NZ-OD2 3.43Å; Q582-D586 WeakPolarHBondContact O-CB 3.4Å; Q582-D586 VanDerWaalsContact O-CG 3.31Å; Q582-D586 PolarHBondContact O-N 3.43Å; Q582-D586 VanDerWaalsContact O-OD2 3.07Å; Y584-D586 VanDerWaalsContact C-N 3.34Å; Y584-D586 PolarHBondContact O-N 3.17Å; D586-V588 VanDerWaalsContact C-N 3.32Å; D586-V588 PolarHBondContact O-N 2.93Å; D586-K589 PolarHBondContact O-N 3.27Å; D586-Y590 WeakPolarHBondContact O-CB 3.34Å; D586-Y590 PolarHBondContact O-N 3.3Å
587T94.6Very high88.7Confident0 Ų051.5 Ų51.50%024%0.242CC..Hα-helixtrans-61.8-43.6172.5-550000110.2Y409 Q414 Y415 L567 M572 Q583 Y584 Y590 L591Y409-T587 HydrophobicContact CD1-CG2 4.07Å; Y409-T587 WeakPolarHBondContact CD1-OG1 3.15Å; Y409-T587 WeakPolarHBondContact CE1-OG1 3.25Å; Y409-T587 HydrophobicContact CG-CG2 4.25Å; Q414-T587 HydrophobicContact CB-CG2 3.84Å; Y415-T587 HydrophobicContact CD1-CG2 4.28Å; L567-T587 HydrophobicContact CD1-CG2 3.38Å; M572-T587 HydrophobicContact CE-CG2 4.29Å; Q583-T587 WeakPolarHBondContact O-CB 3.42Å; Q583-T587 PolarHBondContact O-N 3.08Å; Q583-T587 PolarHBondContact O-OG1 2.88Å; Y584-T587 PolarHBondContact O-N 2.86Å; T587-Y590 PolarHBondContact O-N 3.22Å; T587-L591 HydrophobicContact CG2-CD1 3.97Å; T587-L591 HydrophobicContact CG2-CG 4.35Å; T587-L591 WeakPolarHBondContact O-CB 3.49Å; T587-L591 VanDerWaalsContact O-CG 3.23Å; T587-L591 WeakPolarHBondContact O-CG 3.38Å; T587-L591 PolarHBondContact O-N 3.42Å
588V96Very high89Confident0 Ų048.7 Ų48.70%023%0.228CC..Hα-helixtrans-62.3-47177177.60000110.9V428 V452 L456 M559 V561 L567 Y584 A585 D586 Y590 L591 S592V428-V588 HydrophobicContact CG1-CG1 3.89Å; V428-V588 HydrophobicContact CG2-CG1 3.94Å; V452-V588 HydrophobicContact CG1-CB 4.21Å; V452-V588 HydrophobicContact CG1-CG1 3.74Å; V452-V588 HydrophobicContact CG1-CG2 4.41Å; V452-V588 HydrophobicContact CG2-CB 4.45Å; V452-V588 HydrophobicContact CG2-CG2 4.08Å; L456-V588 HydrophobicContact CD2-CG1 3.9Å; M559-V588 HydrophobicContact SD-CG1 4.29Å; M559-V588 HydrophobicContact SD-CG2 3.6Å; M559-V588 VanDerWaalsContact SD-CG2 3.6Å; V561-V588 HydrophobicContact CG2-CG1 4.02Å; L567-V588 HydrophobicContact CD1-CG2 4.01Å; L567-V588 HydrophobicContact CD2-CG2 4.02Å; L567-V588 HydrophobicContact CG-CG2 3.96Å; Y584-V588 HydrophobicContact CD1-CG2 3.99Å; Y584-V588 HydrophobicContact CE1-CG2 3.92Å; Y584-V588 WeakPolarHBondContact O-CG2 3.37Å; Y584-V588 PolarHBondContact O-N 3.05Å; A585-V588 PolarHBondContact O-N 3.03Å; D586-V588 VanDerWaalsContact C-N 3.32Å; D586-V588 PolarHBondContact O-N 2.93Å; V588-Y590 PolarHBondContact O-N 2.92Å; V588-L591 PolarHBondContact O-N 2.78Å; V588-S592 WeakPolarHBondContact O-CB 3.29Å; V588-S592 PolarHBondContact O-N 3.46Å
589K93.4Very high89.5Confident83 Ų8347.5 Ų47.536%0.36122%0.219SC..Hα-helixtrans-56-52.2176.5-178.2-176.1-179.7179.30111K455 P457 A585 D586 L591 S592 E593K455-K589 WeakPolarHBondContact O-CD 3.4Å; P457-K589 HydrophobicContact CG-CG 4.47Å; A585-K589 PolarHBondContact O-N 3.16Å; D586-K589 PolarHBondContact O-N 3.27Å; K589-L591 PolarHBondContact O-N 3.23Å; K589-S592 WeakPolarHBondContact O-CB 3.5Å; K589-S592 PolarHBondContact O-N 2.69Å; K589-S592 VanDerWaalsContact O-N 3.11Å; K589-S592 PolarHBondContact O-OG 3.25Å; K589-E593 PolarHBondContact O-N 3.16Å
590Y92.6Very high89.9Confident76 Ų7647.7 Ų47.730%0.29822%0.216SC..Hα-helixtrans-54.6-49177.2167.3-101.3000112.2Y409 Y415 D586 T587 V588 S592 E593 K594Y409-Y590 VanDerWaalsContact CD2-CB 3.44Å; Y409-Y590 AromaticContact CD2-CD1 3.46Å; Y409-Y590 HydrophobicContact CD2-CD1 3.46Å; Y409-Y590 VanDerWaalsContact CD2-CD1 3.46Å; Y409-Y590 AromaticContact CD2-CD2 3.91Å; Y409-Y590 HydrophobicContact CD2-CD2 3.91Å; Y409-Y590 HydrophobicContact CD2-CE1 4.15Å; Y409-Y590 AromaticContact CD2-CG 3.32Å; Y409-Y590 HydrophobicContact CD2-CG 3.32Å; Y409-Y590 HydrophobicContact CE2-CD1 4.45Å; Y409-Y590 HydrophobicContact CE2-CD2 4.47Å; Y409-Y590 AromaticContact CE2-CG 3.95Å; Y409-Y590 HydrophobicContact CE2-CG 3.95Å; Y409-Y590 AromaticContact CG-CD1 3.97Å; Y409-Y590 HydrophobicContact CG-CD1 3.97Å; Y409-Y590 HydrophobicContact CG-CE1 4.47Å; Y409-Y590 HydrophobicContact CG-CG 4.28Å; Y415-Y590 HydrophobicContact CE1-CE1 4.21Å; D586-Y590 WeakPolarHBondContact O-CB 3.34Å; D586-Y590 PolarHBondContact O-N 3.3Å; T587-Y590 PolarHBondContact O-N 3.22Å; V588-Y590 PolarHBondContact O-N 2.92Å; Y590-S592 VanDerWaalsContact C-N 3.27Å; Y590-S592 PolarHBondContact O-N 3.36Å; Y590-E593 PolarHBondContact O-N 3.5Å; Y590-K594 HydrophobicContact CE1-CD 3.81Å; Y590-K594 WeakPolarHBondContact O-CB 3.45Å; Y590-K594 PolarHBondContact O-N 3.15Å
591L93.8Very high90Very high0 Ų049.5 Ų49.50%023%0.225CC..Hα-helixtrans-67.6-28.2-179.4-68.1174.9000113Y415 V561 N562 Y565 L567 T587 V588 K589 E593 K594Y415-L591 HydrophobicContact CD1-CD1 4.14Å; Y415-L591 HydrophobicContact CD1-CD2 3.79Å; Y415-L591 HydrophobicContact CD1-CG 4.32Å; Y415-L591 HydrophobicContact CD2-CD1 4.37Å; Y415-L591 HydrophobicContact CD2-CD2 3.84Å; Y415-L591 HydrophobicContact CE1-CD2 3.85Å; Y415-L591 HydrophobicContact CE2-CD2 3.91Å; Y415-L591 HydrophobicContact CG-CD1 3.81Å; Y415-L591 HydrophobicContact CG-CD2 3.8Å; Y415-L591 HydrophobicContact CG-CG 4.34Å; V561-L591 HydrophobicContact CB-CB 3.88Å; V561-L591 HydrophobicContact CB-CD1 4.49Å; V561-L591 HydrophobicContact CG1-CB 3.72Å; V561-L591 HydrophobicContact CG2-CB 4.13Å; V561-L591 HydrophobicContact CG2-CD1 4.33Å; N562-L591 PolarHBondContact ND2-O 3.11Å; Y565-L591 HydrophobicContact CD1-CD2 4.23Å; Y565-L591 HydrophobicContact CD2-CB 4.11Å; Y565-L591 HydrophobicContact CD2-CD2 3.84Å; Y565-L591 HydrophobicContact CD2-CG 4.4Å; Y565-L591 HydrophobicContact CE2-CD2 4.23Å; Y565-L591 HydrophobicContact CG-CD1 4.39Å; Y565-L591 HydrophobicContact CG-CD2 3.83Å; L567-L591 HydrophobicContact CD1-CD1 4.11Å; L567-L591 HydrophobicContact CD2-CD1 4.15Å; T587-L591 HydrophobicContact CG2-CD1 3.97Å; T587-L591 HydrophobicContact CG2-CG 4.35Å; T587-L591 WeakPolarHBondContact O-CB 3.49Å; T587-L591 VanDerWaalsContact O-CG 3.23Å; T587-L591 WeakPolarHBondContact O-CG 3.38Å; T587-L591 PolarHBondContact O-N 3.42Å; V588-L591 PolarHBondContact O-N 2.78Å; K589-L591 PolarHBondContact O-N 3.23Å; L591-E593 VanDerWaalsContact C-N 3.31Å; L591-K594 HydrophobicContact CD2-CD 4.03Å; L591-K594 PolarHBondContact O-N 3.03Å
592S92Very high89.9Confident16 Ų1652.6 Ų52.611%0.11224%0.238CC..Hα-helixtrans-69.7-32.617878.30000111.8P457 N562 V588 K589 Y590P457-S592 WeakPolarHBondContact CD-OG 3.21Å; N562-S592 PolarHBondContact ND2-O 2.94Å; V588-S592 WeakPolarHBondContact O-CB 3.29Å; V588-S592 PolarHBondContact O-N 3.46Å; K589-S592 WeakPolarHBondContact O-CB 3.5Å; K589-S592 PolarHBondContact O-N 2.69Å; K589-S592 VanDerWaalsContact O-N 3.11Å; K589-S592 PolarHBondContact O-OG 3.25Å; Y590-S592 VanDerWaalsContact C-N 3.27Å; Y590-S592 PolarHBondContact O-N 3.36Å
593E87.3Confident89.9Confident115 Ų11551.5 Ų51.554%0.53723%0.233SC..Hα-helixtrans-87.9-19.6176.6-63.6175161.900112.4P457 K589 Y590 L591 K595P457-E593 HydrophobicContact CG-CG 3.83Å; P457-E593 WeakPolarHBondContact CG-OE1 3.43Å; K589-E593 PolarHBondContact O-N 3.16Å; Y590-E593 PolarHBondContact O-N 3.5Å; L591-E593 VanDerWaalsContact C-N 3.31Å; E593-K595 PolarHBondContact O-N 2.86Å; E593-K595 VanDerWaalsContact O-N 3.1Å
594K84Confident89.8Confident57 Ų5752.3 Ų52.325%0.24824%0.236CC..  trans-70.5101.7179.1-170.6178.5-179.6-179.60111.2Y415 Y565 Y590 L591Y415-K594 PolarHBondContact OH-NZ 3.41Å; Y565-K594 HydrophobicContact CE1-CD 4.46Å; Y565-K594 HydrophobicContact CE2-CD 4.35Å; Y590-K594 HydrophobicContact CE1-CD 3.81Å; Y590-K594 WeakPolarHBondContact O-CB 3.45Å; Y590-K594 PolarHBondContact O-N 3.15Å; L591-K594 HydrophobicContact CD2-CD 4.03Å; L591-K594 PolarHBondContact O-N 3.03Å
595K62.3Low89.3Confident228 Ų22856.8 Ų56.899%0.99126%0.256SS*.  trans-60.20-178.6-69.5-174.7177.6177.80114K564 E593K564-K595 PolarHBondContact NZ-OXT 3.39Å; E593-K595 PolarHBondContact O-N 2.86Å; E593-K595 VanDerWaalsContact O-N 3.1Å

Retrieved 595 of 595 residues in 1076.2 ms (Link to these results)

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