A0A3Q0KKH5_SCHMA Loading...

Acyl-CoA dehydrogenase

AlphaFold DB , UniProt , Accession A0A3Q0KKH5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 555 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
1M89.5Confident95Very high92 Ų9283.6 Ų83.645%0.45338%0.38SS..  0-65.40-158.4172.6-171.100114.1N3 Q4 I5 L34 L36 L39 L48 F50M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.48Å; M1-N3 VanDerWaalsContact O-N 3.12Å; M1-Q4 WeakPolarHBondContact O-CA 3.38Å; M1-Q4 VanDerWaalsContact O-CB 3.27Å; M1-Q4 WeakPolarHBondContact O-CB 3.24Å; M1-Q4 PolarHBondContact O-N 3.42Å; M1-I5 HydrophobicContact CE-CD1 4.23Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 HydrophobicContact CG-CG1 4.11Å; M1-I5 PolarHBondContact O-N 2.92Å; M1-I5 HydrophobicContact SD-CD1 4.5Å; M1-L34 WeakPolarHBondContact CE-O 3.27Å; M1-L36 HydrophobicContact CE-CD2 4.08Å; M1-L39 HydrophobicContact CE-CD2 3.37Å; M1-L39 HydrophobicContact SD-CD2 4.2Å; M1-L48 HydrophobicContact CE-CD1 3.89Å; M1-F50 HydrophobicContact CE-CZ 4.32Å; M1-F50 HydrophobicContact SD-CE1 4.29Å; M1-F50 HydrophobicContact SD-CE2 3.67Å; M1-F50 HydrophobicContact SD-CZ 3.25Å; M1-F50 WeakPolarHBondContact SD-CZ 3.16Å
2H93Very high94.9Very high49 Ų4978.4 Ų78.423%0.22736%0.357CS..Hα-helixtrans-44-51.3-177.2174.390.4000114.5Q4 I5 K6 R57H2-Q4 VanDerWaalsContact C-N 3.28Å; H2-Q4 PolarHBondContact O-N 2.92Å; H2-I5 PolarHBondContact O-N 3.47Å; H2-K6 WeakPolarHBondContact O-CB 3.25Å; H2-K6 PolarHBondContact O-N 2.99Å; H2-R57 PolarHBondContact ND1-O 3Å
3N95.6Very high94.8Very high105 Ų10578.5 Ų78.556%0.56136%0.362SS*.Hα-helixtrans-63.1-31.1178.8-72.2-22.6000113.8M1 R7M1-N3 VanDerWaalsContact C-N 3.33Å; M1-N3 PolarHBondContact O-N 3.48Å; M1-N3 VanDerWaalsContact O-N 3.12Å; N3-R7 WeakPolarHBondContact O-CB 3.18Å; N3-R7 WeakPolarHBondContact O-CG 3.3Å; N3-R7 PolarHBondContact O-N 3.32Å
4Q95.6Very high94.8Very high115 Ų11573.2 Ų73.254%0.53734%0.338SS..Hα-helixtrans-70.9-45.8175.9-178.1-178.7-3.600110.4M1 H2 K6 R7 F8 L34M1-Q4 WeakPolarHBondContact O-CA 3.38Å; M1-Q4 VanDerWaalsContact O-CB 3.27Å; M1-Q4 WeakPolarHBondContact O-CB 3.24Å; M1-Q4 PolarHBondContact O-N 3.42Å; H2-Q4 VanDerWaalsContact C-N 3.28Å; H2-Q4 PolarHBondContact O-N 2.92Å; Q4-K6 PolarHBondContact O-N 3.41Å; Q4-R7 PolarHBondContact O-N 2.9Å; Q4-F8 WeakPolarHBondContact O-CB 3.48Å; Q4-F8 PolarHBondContact O-N 3.16Å; Q4-L34 HydrophobicContact CG-CD2 4.36Å
5I96.5Very high94.6Very high3 Ų373.5 Ų73.52%0.01534%0.336CS..Hα-helixtrans-57.7-51.2174.1-57.1178000109.7M1 H2 R7 F8 I9 L36 A58 A61 I62M1-I5 HydrophobicContact CE-CD1 4.23Å; M1-I5 HydrophobicContact CG-CD1 3.87Å; M1-I5 HydrophobicContact CG-CG1 4.11Å; M1-I5 PolarHBondContact O-N 2.92Å; M1-I5 HydrophobicContact SD-CD1 4.5Å; H2-I5 PolarHBondContact O-N 3.47Å; I5-R7 VanDerWaalsContact C-N 3.32Å; I5-R7 PolarHBondContact O-N 3.19Å; I5-F8 WeakPolarHBondContact O-CB 2.83Å; I5-F8 PolarHBondContact O-N 3.24Å; I5-F8 VanDerWaalsContact O-N 3.09Å; I5-I9 HydrophobicContact CG2-CG1 4.16Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 3.5Å; I5-L36 HydrophobicContact CD1-CD2 3.49Å; I5-L36 VanDerWaalsContact CD1-CD2 3.49Å; I5-L36 HydrophobicContact CG1-CD2 3.81Å; I5-L36 HydrophobicContact CG2-CD1 4.27Å; I5-L36 HydrophobicContact CG2-CD2 4.45Å; I5-A58 HydrophobicContact CD1-CB 3.75Å; I5-A61 HydrophobicContact CB-CB 3.86Å; I5-A61 HydrophobicContact CG2-CB 3.62Å; I5-I62 HydrophobicContact CG2-CG1 3.93Å
6K96.5Very high94.6Very high68 Ų6875.1 Ų75.130%0.29634%0.344SS..Hα-helixtrans-56.9-45.1179.7178.2172.1-178.7178.80112H2 Q4 F8 L10 A61 L64H2-K6 WeakPolarHBondContact O-CB 3.25Å; H2-K6 PolarHBondContact O-N 2.99Å; Q4-K6 PolarHBondContact O-N 3.41Å; K6-F8 VanDerWaalsContact C-N 3.34Å; K6-L10 HydrophobicContact CG-CD1 3.86Å; K6-L10 HydrophobicContact CG-CG 4.46Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.39Å; K6-L10 PolarHBondContact O-N 3.23Å; K6-A61 HydrophobicContact CB-CB 3.91Å; K6-L64 HydrophobicContact CD-CD1 4.37Å; K6-L64 HydrophobicContact CG-CD1 3.8Å
7R96.6Very high94.6Very high179 Ų17971.4 Ų71.468%0.67533%0.327SS*.Hα-helixtrans-65.3-37.5177.5-76.6173.4-173.31762112.4N3 Q4 I5 K11N3-R7 WeakPolarHBondContact O-CB 3.18Å; N3-R7 WeakPolarHBondContact O-CG 3.3Å; N3-R7 PolarHBondContact O-N 3.32Å; Q4-R7 PolarHBondContact O-N 2.9Å; I5-R7 VanDerWaalsContact C-N 3.32Å; I5-R7 PolarHBondContact O-N 3.19Å; R7-K11 WeakPolarHBondContact O-CB 3.42Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 3.29Å; R7-K11 PolarHBondContact O-N 2.83Å
8F96.8Very high94.6Very high53 Ų5368.2 Ų68.223%0.23231%0.313CS..Hα-helixtrans-65.1-54.2176.6175.5-92.9000110.9Q4 I5 K6 L10 K11 M12 M27 N30 L31 L34Q4-F8 WeakPolarHBondContact O-CB 3.48Å; Q4-F8 PolarHBondContact O-N 3.16Å; I5-F8 WeakPolarHBondContact O-CB 2.83Å; I5-F8 PolarHBondContact O-N 3.24Å; I5-F8 VanDerWaalsContact O-N 3.09Å; K6-F8 VanDerWaalsContact C-N 3.34Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 2.91Å; F8-K11 PolarHBondContact O-N 3.31Å; F8-M12 PolarHBondContact O-N 2.86Å; F8-M27 HydrophobicContact CE1-SD 4.33Å; F8-M27 HydrophobicContact CZ-SD 4.04Å; F8-N30 HydrophobicContact CE2-CB 4.24Å; F8-N30 HydrophobicContact CZ-CB 3.86Å; F8-L31 HydrophobicContact CD1-CD2 4.37Å; F8-L31 HydrophobicContact CE1-CD2 3.65Å; F8-L31 HydrophobicContact CE1-CG 4.49Å; F8-L31 HydrophobicContact CZ-CD2 4.47Å; F8-L34 HydrophobicContact CB-CD1 3.71Å; F8-L34 HydrophobicContact CD1-CD1 3.59Å; F8-L34 HydrophobicContact CD2-CD1 3.56Å; F8-L34 HydrophobicContact CE1-CD1 4.07Å; F8-L34 HydrophobicContact CE2-CD1 4.02Å; F8-L34 HydrophobicContact CG-CD1 3.32Å; F8-L34 HydrophobicContact CZ-CD1 4.26Å
9I96.3Very high94.5Very high1 Ų172 Ų721%0.00533%0.325CS..Hα-helixtrans-60.3-42.1-178.5-59.9-65.9000111.3I5 K11 M12 L31 L64 D65 V68I5-I9 HydrophobicContact CG2-CG1 4.16Å; I5-I9 WeakPolarHBondContact O-CG1 3.4Å; I5-I9 PolarHBondContact O-N 3.5Å; I9-K11 VanDerWaalsContact C-N 3.25Å; I9-K11 PolarHBondContact O-N 3.47Å; I9-M12 WeakPolarHBondContact O-CB 3.3Å; I9-M12 PolarHBondContact O-N 3.42Å; I9-L31 HydrophobicContact CD1-CD2 4.22Å; I9-L64 HydrophobicContact CG2-CB 3.76Å; I9-D65 HydrophobicContact CG2-CB 3.88Å; I9-V68 HydrophobicContact CD1-CB 4.37Å; I9-V68 HydrophobicContact CD1-CG1 3.79Å; I9-V68 HydrophobicContact CD1-CG2 4.43Å
10L93.9Very high94.4Very high71 Ų7172.7 Ų72.737%0.37233%0.331SS..Hα-helixtrans-70.3-16.4178.4-71.5176.1000114.7K6 F8 L64 Y243K6-L10 HydrophobicContact CG-CD1 3.86Å; K6-L10 HydrophobicContact CG-CG 4.46Å; K6-L10 WeakPolarHBondContact O-CB 3.4Å; K6-L10 VanDerWaalsContact O-CG 3.28Å; K6-L10 WeakPolarHBondContact O-CG 3.39Å; K6-L10 PolarHBondContact O-N 3.23Å; F8-L10 VanDerWaalsContact C-N 3.33Å; F8-L10 PolarHBondContact O-N 2.91Å; L10-L64 HydrophobicContact CD1-CD1 4.32Å; L10-L64 HydrophobicContact CD2-CD1 4.08Å; L10-L64 HydrophobicContact CG-CD1 4.02Å; L10-Y243 HydrophobicContact CD1-CD2 4.31Å; L10-Y243 HydrophobicContact CD1-CE2 3.95Å; L10-Y243 HydrophobicContact CD2-CD2 4.15Å; L10-Y243 HydrophobicContact CD2-CE2 3.6Å; L10-Y243 HydrophobicContact CG-CE2 4.46Å
11K94.8Very high94.3Very high184 Ų18470.5 Ų70.580%0.832%0.324SS*.Hα-helixtrans-93.3-16176-78.6-177.2175.2-168.50113.1R7 F8 I9R7-K11 WeakPolarHBondContact O-CB 3.42Å; R7-K11 VanDerWaalsContact O-CG 3.28Å; R7-K11 WeakPolarHBondContact O-CG 3.29Å; R7-K11 PolarHBondContact O-N 2.83Å; F8-K11 PolarHBondContact O-N 3.31Å; I9-K11 VanDerWaalsContact C-N 3.25Å; I9-K11 PolarHBondContact O-N 3.47Å
12M93.7Very high94.4Very high21 Ų2168.1 Ų68.110%0.10332%0.317CS..SBendtrans-67.6147.4178-174.7179.666.800110.9F8 I9 S14 I17 M27 D65 V68F8-M12 PolarHBondContact O-N 2.86Å; I9-M12 WeakPolarHBondContact O-CB 3.3Å; I9-M12 PolarHBondContact O-N 3.42Å; M12-S14 WeakPolarHBondContact CE-OG 3.36Å; M12-S14 PolarHBondContact O-N 3.48Å; M12-I17 HydrophobicContact CE-CD1 3.51Å; M12-I17 HydrophobicContact CG-CD1 3.84Å; M12-I17 HydrophobicContact SD-CD1 3.38Å; M12-I17 WeakPolarHBondContact SD-CD1 3.49Å; M12-M27 HydrophobicContact CG-CE 3.52Å; M12-M27 HydrophobicContact CG-SD 4.05Å; M12-M27 HydrophobicContact SD-CE 3.71Å; M12-M27 HydrophobicContact SD-CG 4.01Å; M12-M27 HydrophobicContact SD-SD 3.47Å; M12-D65 HydrophobicContact CE-CB 3.7Å; M12-D65 VanDerWaalsContact CE-CG 3.48Å; M12-D65 WeakPolarHBondContact CE-OD2 2.93Å; M12-V68 HydrophobicContact CE-CG2 3.58Å; M12-V68 HydrophobicContact SD-CG2 3.86Å
13D93.5Very high94.5Very high79 Ų7966 Ų6642%0.42231%0.307SS..  trans-8075.3170.9-164.8-15.6000111.1Y15 E16 I17D13-Y15 PolarHBondContact O-N 3.16Å; D13-Y15 WeakPolarHBondContact OD1-CA 2.91Å; D13-Y15 WeakPolarHBondContact OD1-CB 3.25Å; D13-Y15 PolarHBondContact OD1-N 3.23Å; D13-E16 HydrophobicContact CB-CB 3.92Å; D13-E16 VanDerWaalsContact CG-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.19Å; D13-E16 PolarHBondContact OD1-N 2.87Å; D13-I17 PolarHBondContact O-N 3.23Å
14S94.5Very high94.3Very high5 Ų563.7 Ų63.74%0.03530%0.299CS..Hα-helixtrans-59.2-21.9172.6-67.20000113.7M12 D18 D65 R340M12-S14 WeakPolarHBondContact CE-OG 3.36Å; M12-S14 PolarHBondContact O-N 3.48Å; S14-D18 WeakPolarHBondContact O-CB 3.42Å; S14-D18 PolarHBondContact O-N 3.4Å; S14-D18 VanDerWaalsContact O-N 3.12Å; S14-D65 WeakPolarHBondContact CB-OD2 3.12Å; S14-D65 PolarHBondContact OG-OD2 2.98Å; S14-R340 VanDerWaalsContact CB-NH2 3.26Å
15Y92.7Very high94Very high78 Ų7866.5 Ų66.531%0.30631%0.309SS..Hα-helixtrans-78.7-35.3177.8-179.3-104.3000111.4D13 R19 K334D13-Y15 PolarHBondContact O-N 3.16Å; D13-Y15 WeakPolarHBondContact OD1-CA 2.91Å; D13-Y15 WeakPolarHBondContact OD1-CB 3.25Å; D13-Y15 PolarHBondContact OD1-N 3.23Å; Y15-R19 VanDerWaalsContact CE1-NH2 3.32Å; Y15-R19 VanDerWaalsContact O-CB 3.26Å; Y15-R19 WeakPolarHBondContact O-CB 3.29Å; Y15-R19 PolarHBondContact O-N 3.29Å; Y15-K334 HydrophobicContact CE2-CB 4.08Å; Y15-K334 HydrophobicContact CE2-CD 4.12Å
16E93.8Very high93.9Very high98 Ų9873.1 Ų73.146%0.45834%0.34SS..Hα-helixtrans-62.7-46.6169.1-178.5174.1-154.800111.7D13 D18 R19 N20D13-E16 HydrophobicContact CB-CB 3.92Å; D13-E16 VanDerWaalsContact CG-CB 3.42Å; D13-E16 PolarHBondContact O-N 3.19Å; D13-E16 PolarHBondContact OD1-N 2.87Å; E16-D18 VanDerWaalsContact C-N 3.32Å; E16-D18 PolarHBondContact O-N 3.26Å; E16-R19 PolarHBondContact O-N 2.77Å; E16-N20 VanDerWaalsContact CG-ND2 3.3Å; E16-N20 WeakPolarHBondContact CG-ND2 3.28Å; E16-N20 WeakPolarHBondContact O-CB 3.45Å; E16-N20 PolarHBondContact O-N 2.99Å
17I95Very high93.8Very high12 Ų1271.4 Ų71.46%0.06233%0.334CS..Hα-helixtrans-57-47.1176.3-67.5163.9000111M12 D13 R19 C21 L23M12-I17 HydrophobicContact CE-CD1 3.51Å; M12-I17 HydrophobicContact CG-CD1 3.84Å; M12-I17 HydrophobicContact SD-CD1 3.38Å; M12-I17 WeakPolarHBondContact SD-CD1 3.49Å; D13-I17 PolarHBondContact O-N 3.23Å; I17-R19 VanDerWaalsContact C-N 3.35Å; I17-R19 PolarHBondContact O-N 3.42Å; I17-C21 PolarHBondContact O-N 3.29Å; I17-L23 HydrophobicContact CD1-CD1 3.57Å; I17-L23 HydrophobicContact CG1-CD1 4.04Å; I17-L23 HydrophobicContact CG2-CD1 4.05Å
18D93.8Very high93.7Very high14 Ų1463.4 Ų63.48%0.07531%0.305CS..Hα-helixtrans-61.5-41.5178.9-172.877.4000112.4S14 E16 R192 R343S14-D18 WeakPolarHBondContact O-CB 3.42Å; S14-D18 PolarHBondContact O-N 3.4Å; S14-D18 VanDerWaalsContact O-N 3.12Å; E16-D18 VanDerWaalsContact C-N 3.32Å; E16-D18 PolarHBondContact O-N 3.26Å; D18-R192 WeakPolarHBondContact O-CD 3.46Å; D18-R192 PolarHBondContact O-NE 3.03Å; D18-R192 VanDerWaalsContact O-NE 3.07Å; D18-R192 VanDerWaalsContact OD1-CD 3.26Å; D18-R192 WeakPolarHBondContact OD1-CD 3.37Å; D18-R343 VanDerWaalsContact CG-NH2 3.34Å; D18-R343 IonicContact OD1-CZ 3.11Å; D18-R343 IonicContact OD1-NH1 3.4Å; D18-R343 PolarHBondContact OD1-NH1 3.25Å; D18-R343 IonicContact OD1-NH2 2.79Å; D18-R343 PolarHBondContact OD1-NH2 3.21Å; D18-R343 IonicContact OD2-CZ 3.9Å; D18-R343 IonicContact OD2-NH1 3.54Å; D18-R343 PolarHBondContact OD2-NH1 3.11Å; D18-R343 IonicContact OD2-NH2 2.71Å; D18-R343 PolarHBondContact OD2-NH2 2.91Å
19R92.7Very high93.6Very high141 Ų14165.7 Ų65.753%0.53232%0.316SS..Hα-helixtrans-71-43.3179.9-166.5-167.6-32.1172.819.5112.5Y15 E16 I17 C21Y15-R19 VanDerWaalsContact CE1-NH2 3.32Å; Y15-R19 VanDerWaalsContact O-CB 3.26Å; Y15-R19 WeakPolarHBondContact O-CB 3.29Å; Y15-R19 PolarHBondContact O-N 3.29Å; E16-R19 PolarHBondContact O-N 2.77Å; I17-R19 VanDerWaalsContact C-N 3.35Å; I17-R19 PolarHBondContact O-N 3.42Å; R19-C21 PolarHBondContact O-N 3.32Å
20N93Very high93.5Very high86 Ų8668.2 Ų68.246%0.4633%0.329SS..Hα-helixtrans-80.8-5.4-178.5-66.8-14.7000112.6E16 S22E16-N20 VanDerWaalsContact CG-ND2 3.3Å; E16-N20 WeakPolarHBondContact CG-ND2 3.28Å; E16-N20 WeakPolarHBondContact O-CB 3.45Å; E16-N20 PolarHBondContact O-N 2.99Å; N20-S22 PolarHBondContact O-N 3.26Å; N20-S22 PolarHBondContact O-OG 3.5Å; N20-S22 VanDerWaalsContact O-OG 3.05Å
21C93.3Very high93.6Very high27 Ų2764.8 Ų64.818%0.18231%0.311CS..THydrogen-bonded Turntrans51.331.5179.2-52.10000113.2I17 R19 R192I17-C21 PolarHBondContact O-N 3.29Å; R19-C21 PolarHBondContact O-N 3.32Å; C21-R192 CarbonylContact C-O 3.51Å; C21-R192 VanDerWaalsContact CA-O 3.23Å; C21-R192 WeakPolarHBondContact CA-O 3.38Å; C21-R192 VanDerWaalsContact O-O 3.09Å; C21-R192 PolarHBondContact SG-NH2 3.05Å
22S91.7Very high93.6Very high42 Ų4257.3 Ų57.329%0.29428%0.28SS..SBendtrans-154.7142.3-178.152.10000110.9N20 N195N20-S22 PolarHBondContact O-N 3.26Å; N20-S22 PolarHBondContact O-OG 3.5Å; N20-S22 VanDerWaalsContact O-OG 3.05Å; S22-N195 WeakPolarHBondContact CA-OD1 3.32Å
23L93.5Very high93.7Very high3 Ų362.7 Ų62.72%0.01631%0.305CS..  trans-94.3115.5165.2-163.473.7000107.8I17 M27 I28 L31 V68 T71 G193 N195I17-L23 HydrophobicContact CD1-CD1 3.57Å; I17-L23 HydrophobicContact CG1-CD1 4.04Å; I17-L23 HydrophobicContact CG2-CD1 4.05Å; L23-M27 HydrophobicContact CD1-CB 4.07Å; L23-M27 HydrophobicContact CD1-CG 3.5Å; L23-M27 VanDerWaalsContact CD1-CG 3.5Å; L23-M27 HydrophobicContact CD2-CG 4.48Å; L23-M27 HydrophobicContact CG-CB 4.09Å; L23-M27 HydrophobicContact CG-CG 3.93Å; L23-I28 HydrophobicContact CD2-CG1 3.89Å; L23-I28 HydrophobicContact CG-CG1 4.3Å; L23-L31 HydrophobicContact CD2-CD1 3.99Å; L23-V68 HydrophobicContact CD1-CG2 3.94Å; L23-V68 HydrophobicContact CD2-CG2 4.38Å; L23-T71 HydrophobicContact CD2-CG2 3.86Å; L23-G193 VanDerWaalsContact CB-O 3.29Å; L23-G193 WeakPolarHBondContact CB-O 3.4Å; L23-G193 PolarHBondContact N-O 3.06Å; L23-G193 VanDerWaalsContact N-O 3.09Å; L23-N195 PolarHBondContact N-OD1 3.1Å; L23-N195 PolarHBondContact O-ND2 3.26Å
24S92Very high93.7Very high58 Ų5860.8 Ų60.841%0.40629%0.294SS..  trans-64.7154.6-174.870.90000112E26 M27 I28S24-E26 PolarHBondContact O-N 2.97Å; S24-M27 WeakPolarHBondContact O-CB 3.19Å; S24-M27 PolarHBondContact O-N 2.85Å; S24-M27 WeakPolarHBondContact OG-CB 3.27Å; S24-M27 PolarHBondContact OG-N 3.26Å; S24-M27 VanDerWaalsContact OG-N 3.08Å; S24-I28 PolarHBondContact O-N 2.88Å
25K90.6Very high93.7Very high173 Ų17361.3 Ų61.375%0.75230%0.3SS*.Hα-helixtrans-57.2-37173.2-69.7-170.8175.9-1700112I28 H29K25-I28 PolarHBondContact O-N 3.4Å; K25-H29 WeakPolarHBondContact O-CB 3.42Å; K25-H29 PolarHBondContact O-N 3.38Å
26E93.1Very high93.9Very high142 Ų14257.6 Ų57.666%0.66429%0.286SS*.Hα-helixtrans-61.7-43.1174.4-174.7-175.6170.100111.7S24 H29 N30S24-E26 PolarHBondContact O-N 2.97Å; E26-H29 WeakPolarHBondContact O-CB 3.42Å; E26-H29 PolarHBondContact O-N 3.29Å; E26-N30 VanDerWaalsContact O-CG 3.26Å; E26-N30 PolarHBondContact O-N 3.04Å; E26-N30 PolarHBondContact O-ND2 3.44Å
27M94.6Very high94.1Very high32 Ų3253 Ų5316%0.15826%0.264CS..Hα-helixtrans-65.3-41.4176.7-173.654.465.300111.8F8 M12 L23 S24 H29 N30 L31F8-M27 HydrophobicContact CE1-SD 4.33Å; F8-M27 HydrophobicContact CZ-SD 4.04Å; M12-M27 HydrophobicContact CG-CE 3.52Å; M12-M27 HydrophobicContact CG-SD 4.05Å; M12-M27 HydrophobicContact SD-CE 3.71Å; M12-M27 HydrophobicContact SD-CG 4.01Å; M12-M27 HydrophobicContact SD-SD 3.47Å; L23-M27 HydrophobicContact CD1-CB 4.07Å; L23-M27 HydrophobicContact CD1-CG 3.5Å; L23-M27 VanDerWaalsContact CD1-CG 3.5Å; L23-M27 HydrophobicContact CD2-CG 4.48Å; L23-M27 HydrophobicContact CG-CB 4.09Å; L23-M27 HydrophobicContact CG-CG 3.93Å; S24-M27 WeakPolarHBondContact O-CB 3.19Å; S24-M27 PolarHBondContact O-N 2.85Å; S24-M27 WeakPolarHBondContact OG-CB 3.27Å; S24-M27 PolarHBondContact OG-N 3.26Å; S24-M27 VanDerWaalsContact OG-N 3.08Å; M27-H29 VanDerWaalsContact C-N 3.3Å; M27-H29 PolarHBondContact O-N 3.46Å; M27-N30 PolarHBondContact O-N 2.86Å; M27-N30 HydrophobicContact SD-CB 4.45Å; M27-L31 WeakPolarHBondContact O-CG 3.39Å; M27-L31 PolarHBondContact O-N 3.39Å
28I94.1Very high94.2Very high12 Ų1252.7 Ų52.76%0.06226%0.264CS..Hα-helixtrans-59.9-42.7174.3-65.8171.9000110.8L23 S24 K25 L31 N32 L37 T71 I105 V149L23-I28 HydrophobicContact CD2-CG1 3.89Å; L23-I28 HydrophobicContact CG-CG1 4.3Å; S24-I28 PolarHBondContact O-N 2.88Å; K25-I28 PolarHBondContact O-N 3.4Å; I28-L31 WeakPolarHBondContact O-CB 3.12Å; I28-L31 PolarHBondContact O-N 3.27Å; I28-N32 PolarHBondContact O-N 3.29Å; I28-L37 HydrophobicContact CG2-CD1 4.3Å; I28-T71 HydrophobicContact CG1-CG2 4.5Å; I28-I105 HydrophobicContact CG2-CD1 3.48Å; I28-I105 VanDerWaalsContact CG2-CD1 3.48Å; I28-I105 HydrophobicContact CG2-CG1 4.19Å; I28-V149 HydrophobicContact CD1-CG2 4.37Å
29H94.2Very high94.2Very high101 Ų10152 Ų5247%0.46826%0.26SS..Hα-helixtrans-60.8-44.1173.8177.965.8000111.9K25 E26 M27 L31 N32 E33K25-H29 WeakPolarHBondContact O-CB 3.42Å; K25-H29 PolarHBondContact O-N 3.38Å; E26-H29 WeakPolarHBondContact O-CB 3.42Å; E26-H29 PolarHBondContact O-N 3.29Å; M27-H29 VanDerWaalsContact C-N 3.3Å; M27-H29 PolarHBondContact O-N 3.46Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 2.95Å; H29-N32 WeakPolarHBondContact O-CA 3.49Å; H29-N32 VanDerWaalsContact O-CB 3.25Å; H29-N32 WeakPolarHBondContact O-CB 3.17Å; H29-N32 PolarHBondContact O-N 2.95Å; H29-E33 IonicContact CE1-OE1 3.33Å; H29-E33 PolarHBondContact CE1-OE1 3.24Å; H29-E33 IonicContact NE2-OE1 3.81Å; H29-E33 PolarHBondContact O-N 3.12Å
30N95.3Very high94.2Very high53 Ų5346.4 Ų46.428%0.28324%0.243SC..Hα-helixtrans-62.9-34.4176.3-67.6-28.1000113.1F8 E26 M27 N32F8-N30 HydrophobicContact CE2-CB 4.24Å; F8-N30 HydrophobicContact CZ-CB 3.86Å; E26-N30 VanDerWaalsContact O-CG 3.26Å; E26-N30 PolarHBondContact O-N 3.04Å; E26-N30 PolarHBondContact O-ND2 3.44Å; M27-N30 PolarHBondContact O-N 2.86Å; M27-N30 HydrophobicContact SD-CB 4.45Å; N30-N32 VanDerWaalsContact C-N 3.32Å
31L95.7Very high94.3Very high0 Ų042.5 Ų42.50%022%0.221CC..Hα-helixtrans-66.8-36.4172.4-65.9169.9000111.4F8 I9 L23 M27 I28 H29 L34 L36 V68 L72F8-L31 HydrophobicContact CD1-CD2 4.37Å; F8-L31 HydrophobicContact CE1-CD2 3.65Å; F8-L31 HydrophobicContact CE1-CG 4.49Å; F8-L31 HydrophobicContact CZ-CD2 4.47Å; I9-L31 HydrophobicContact CD1-CD2 4.22Å; L23-L31 HydrophobicContact CD2-CD1 3.99Å; M27-L31 WeakPolarHBondContact O-CG 3.39Å; M27-L31 PolarHBondContact O-N 3.39Å; I28-L31 WeakPolarHBondContact O-CB 3.12Å; I28-L31 PolarHBondContact O-N 3.27Å; H29-L31 VanDerWaalsContact C-N 3.3Å; H29-L31 PolarHBondContact O-N 2.95Å; L31-L34 PolarHBondContact O-N 3.28Å; L31-L36 HydrophobicContact CB-CB 4.47Å; L31-L36 HydrophobicContact CD2-CD1 3.74Å; L31-L36 VanDerWaalsContact O-CB 3.32Å; L31-L36 WeakPolarHBondContact O-CB 3.38Å; L31-L36 WeakPolarHBondContact O-CG 3.49Å; L31-L36 PolarHBondContact O-N 3.31Å; L31-V68 HydrophobicContact CD1-CG1 3.78Å; L31-V68 HydrophobicContact CD1-CG2 4.35Å; L31-V68 HydrophobicContact CD2-CG1 3.69Å; L31-V68 HydrophobicContact CG-CG1 4.42Å; L31-L72 HydrophobicContact CD1-CD2 4.37Å; L31-L72 HydrophobicContact CD1-CG 4.45Å
32N95.4Very high94.4Very high27 Ų2744.2 Ų44.214%0.14423%0.229CC..Hα-helixtrans-67.2-40.9176.2-171.757.2000112.9I28 H29 N30 L34 G35 L37 A100 S101I28-N32 PolarHBondContact O-N 3.29Å; H29-N32 WeakPolarHBondContact O-CA 3.49Å; H29-N32 VanDerWaalsContact O-CB 3.25Å; H29-N32 WeakPolarHBondContact O-CB 3.17Å; H29-N32 PolarHBondContact O-N 2.95Å; N30-N32 VanDerWaalsContact C-N 3.32Å; N32-L34 PolarHBondContact O-N 3.26Å; N32-L34 VanDerWaalsContact O-N 3.14Å; N32-G35 WeakPolarHBondContact O-CA 3.46Å; N32-G35 PolarHBondContact O-N 3.47Å; N32-L37 HydrophobicContact CB-CD1 3.72Å; N32-L37 HydrophobicContact CB-CG 4.29Å; N32-A100 PolarHBondContact OD1-O 3.35Å; N32-S101 PolarHBondContact ND2-O 3.11Å; N32-S101 PolarHBondContact OD1-O 3.29Å
33E94.6Very high94.6Very high134 Ų13449.9 Ų49.963%0.62625%0.248SC*.Hα-helixtrans-59.6-24.5175-70.7-61.2126.600112.7H29 G35H29-E33 IonicContact CE1-OE1 3.33Å; H29-E33 PolarHBondContact CE1-OE1 3.24Å; H29-E33 IonicContact NE2-OE1 3.81Å; H29-E33 PolarHBondContact O-N 3.12Å; E33-G35 VanDerWaalsContact C-N 3.33Å
34L94.6Very high94.8Very high38 Ų3856.5 Ų56.520%0.19928%0.279CS..THydrogen-bonded Turntrans-86.5-0.2171.7-69.7178.7000114M1 Q4 F8 L31 N32 L36M1-L34 WeakPolarHBondContact CE-O 3.27Å; Q4-L34 HydrophobicContact CG-CD2 4.36Å; F8-L34 HydrophobicContact CB-CD1 3.71Å; F8-L34 HydrophobicContact CD1-CD1 3.59Å; F8-L34 HydrophobicContact CD2-CD1 3.56Å; F8-L34 HydrophobicContact CE1-CD1 4.07Å; F8-L34 HydrophobicContact CE2-CD1 4.02Å; F8-L34 HydrophobicContact CG-CD1 3.32Å; F8-L34 HydrophobicContact CZ-CD1 4.26Å; L31-L34 PolarHBondContact O-N 3.28Å; N32-L34 PolarHBondContact O-N 3.26Å; N32-L34 VanDerWaalsContact O-N 3.14Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 HydrophobicContact CB-CD1 4.19Å; L34-L36 HydrophobicContact CB-CD2 4.43Å; L34-L36 HydrophobicContact CB-CG 3.83Å; L34-L36 HydrophobicContact CD1-CD1 4.28Å
35G95.1Very high95.1Very high16 Ų1655.1 Ų55.117%0.16527%0.265CS..THydrogen-bonded Turntrans73.916.8-176.600000114.4N32 E33 L37 A38 L39 L48N32-G35 WeakPolarHBondContact O-CA 3.46Å; N32-G35 PolarHBondContact O-N 3.47Å; E33-G35 VanDerWaalsContact C-N 3.33Å; G35-L37 VanDerWaalsContact C-N 3.33Å; G35-L37 PolarHBondContact O-N 3.33Å; G35-A38 PolarHBondContact O-N 3Å; G35-A38 VanDerWaalsContact O-N 3.17Å; G35-L39 PolarHBondContact O-N 3.48Å; G35-L48 WeakPolarHBondContact O-CD1 3.26Å
36L96.6Very high95.3Very high0 Ų052.7 Ų52.70%026%0.261CS..THydrogen-bonded Turntrans-75.5-19.8-170.5-57.9-177.2000114.4M1 I5 L31 L34 A38 L39 L72 Q76M1-L36 HydrophobicContact CE-CD2 4.08Å; I5-L36 HydrophobicContact CD1-CD2 3.49Å; I5-L36 VanDerWaalsContact CD1-CD2 3.49Å; I5-L36 HydrophobicContact CG1-CD2 3.81Å; I5-L36 HydrophobicContact CG2-CD1 4.27Å; I5-L36 HydrophobicContact CG2-CD2 4.45Å; L31-L36 HydrophobicContact CB-CB 4.47Å; L31-L36 HydrophobicContact CD2-CD1 3.74Å; L31-L36 VanDerWaalsContact O-CB 3.32Å; L31-L36 WeakPolarHBondContact O-CB 3.38Å; L31-L36 WeakPolarHBondContact O-CG 3.49Å; L31-L36 PolarHBondContact O-N 3.31Å; L34-L36 VanDerWaalsContact C-N 3.33Å; L34-L36 HydrophobicContact CB-CD1 4.19Å; L34-L36 HydrophobicContact CB-CD2 4.43Å; L34-L36 HydrophobicContact CB-CG 3.83Å; L34-L36 HydrophobicContact CD1-CD1 4.28Å; L36-A38 VanDerWaalsContact C-N 3.33Å; L36-L39 HydrophobicContact CD2-CD1 4.33Å; L36-L39 HydrophobicContact CD2-CD2 4.23Å; L36-L72 HydrophobicContact CB-CD1 3.93Å; L36-L72 HydrophobicContact CB-CD2 4.22Å; L36-L72 HydrophobicContact CD1-CD1 4.31Å; L36-Q76 PolarHBondContact O-NE2 2.82Å
37L96.9Very high95.5Very high1 Ų146.4 Ų46.41%0.00523%0.233CC..THydrogen-bonded Turntrans-75.6-25170.9-63.5-179.3000112I28 N32 G35 L72 H75 I105I28-L37 HydrophobicContact CG2-CD1 4.3Å; N32-L37 HydrophobicContact CB-CD1 3.72Å; N32-L37 HydrophobicContact CB-CG 4.29Å; G35-L37 VanDerWaalsContact C-N 3.33Å; G35-L37 PolarHBondContact O-N 3.33Å; L37-L72 HydrophobicContact CD2-CD2 3.45Å; L37-L72 VanDerWaalsContact CD2-CD2 3.45Å; L37-L72 HydrophobicContact CG-CD2 4.36Å; L37-H75 HydrophobicContact CD2-CB 4.4Å; L37-H75 PolarHBondContact O-NE2 3.46Å; L37-I105 HydrophobicContact CD1-CD1 3.99Å
38A96.8Very high95.6Very high6 Ų648 Ų485%0.0524%0.242CC..SBendtrans-103.92.8-168.900000115.1G35 L36 C40 I41 L48 A100G35-A38 PolarHBondContact O-N 3Å; G35-A38 VanDerWaalsContact O-N 3.17Å; L36-A38 VanDerWaalsContact C-N 3.33Å; A38-C40 PolarHBondContact O-N 3.46Å; A38-I41 PolarHBondContact O-N 2.92Å; A38-L48 HydrophobicContact CB-CG 4.43Å; A38-L48 PolarHBondContact O-N 3.23Å; A38-A100 HydrophobicContact CB-CB 3.96Å
39L95.6Very high95.6Very high0 Ų048.9 Ų48.90%025%0.254CS..THydrogen-bonded Turntrans-52.4-52.2-169.1-61.6173.8000112.7M1 G35 L36 L48 G49 F50 A58 I62M1-L39 HydrophobicContact CE-CD2 3.37Å; M1-L39 HydrophobicContact SD-CD2 4.2Å; G35-L39 PolarHBondContact O-N 3.48Å; L36-L39 HydrophobicContact CD2-CD1 4.33Å; L36-L39 HydrophobicContact CD2-CD2 4.23Å; L39-L48 HydrophobicContact CD2-CD1 3.71Å; L39-G49 PolarHBondContact O-N 2.88Å; L39-F50 HydrophobicContact CB-CD2 4.28Å; L39-F50 HydrophobicContact CB-CG 4.38Å; L39-F50 HydrophobicContact CD2-CD2 4.06Å; L39-F50 HydrophobicContact CD2-CE2 3.89Å; L39-F50 HydrophobicContact CD2-CZ 4.3Å; L39-F50 WeakPolarHBondContact O-CB 3.31Å; L39-F50 PolarHBondContact O-N 3.33Å; L39-A58 HydrophobicContact CD1-CB 3.76Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å
40C90.6Very high95.7Very high24 Ų2446.4 Ų46.416%0.16224%0.242CC..THydrogen-bonded Turntrans-94.91.9-174-61.50000114.4A38A38-C40 PolarHBondContact O-N 3.46Å
41I96.2Very high95.6Very high3 Ų347.1 Ų47.12%0.01525%0.246CC..SBendtrans-79.9140177-63.3175.3000107.8A38 G47 L48 G49 A80 L96 L99 A100A38-I41 PolarHBondContact O-N 2.92Å; I41-G47 CarbonylContact O-C 3.11Å; I41-G47 VanDerWaalsContact O-CA 3.27Å; I41-G47 WeakPolarHBondContact O-CA 3.33Å; I41-L48 PolarHBondContact O-N 3.28Å; I41-G49 WeakPolarHBondContact O-CA 3.43Å; I41-G49 PolarHBondContact O-N 3.15Å; I41-A80 HydrophobicContact CD1-CB 4.05Å; I41-A80 HydrophobicContact CG1-CB 4.09Å; I41-L96 HydrophobicContact CG2-CB 4.03Å; I41-L99 HydrophobicContact CD1-CB 3.93Å; I41-A100 HydrophobicContact CD1-CB 3.79Å; I41-A100 HydrophobicContact CG2-CB 4.3Å
42D95.3Very high95.6Very high64 Ų6448.4 Ų48.434%0.34225%0.254SS..  trans-65.3147.2-179.6-60.7-49000111E44 Y45 G47D42-E44 HydrophobicContact CB-CG 4.09Å; D42-E44 PolarHBondContact O-N 2.97Å; D42-E44 VanDerWaalsContact O-N 3.15Å; D42-Y45 HydrophobicContact CB-CD2 4.09Å; D42-Y45 CarbonylContact O-C 3.56Å; D42-Y45 PolarHBondContact O-N 3.02Å; D42-G47 PolarHBondContact O-N 3.37Å; D42-G47 VanDerWaalsContact O-N 3.15Å
43K96.9Very high95.7Very high160 Ų16048.6 Ų48.670%0.69626%0.256SS*.G310 helixtrans-61.2-25.3-177.6-66.2-177.4179.1179.40113.8Y45 D46 G47 L48K43-Y45 PolarHBondContact O-N 3.49Å; K43-D46 PolarHBondContact O-N 2.72Å; K43-G47 WeakPolarHBondContact CA-O 3.47Å; K43-L48 VanDerWaalsContact CE-O 3.31Å; K43-L48 WeakPolarHBondContact CE-O 3.43Å
44E97.1Very high95.8Very high142 Ų14246.8 Ų46.866%0.66425%0.248SC*.G310 helixtrans-69.2-14.3175.667.3179.3165.200113.2D42D42-E44 HydrophobicContact CB-CG 4.09Å; D42-E44 PolarHBondContact O-N 2.97Å; D42-E44 VanDerWaalsContact O-N 3.15Å
45Y97.6Very high95.9Very high29 Ų2945.7 Ų45.711%0.11424%0.241CC..G310 helixtrans-118.538.2177.1-54.2-63.3000111.4D42 K43 G47 K92 A93 L96 P97D42-Y45 HydrophobicContact CB-CD2 4.09Å; D42-Y45 CarbonylContact O-C 3.56Å; D42-Y45 PolarHBondContact O-N 3.02Å; K43-Y45 PolarHBondContact O-N 3.49Å; Y45-G47 PolarHBondContact O-N 3.08Å; Y45-G47 VanDerWaalsContact O-N 3.12Å; Y45-K92 HydrophobicContact CE1-CB 3.87Å; Y45-K92 HydrophobicContact CE2-CB 4.02Å; Y45-K92 HydrophobicContact CE2-CD 4.24Å; Y45-K92 WeakPolarHBondContact OH-CB 3.19Å; Y45-A93 HydrophobicContact CE1-CB 4.34Å; Y45-L96 HydrophobicContact CD1-CB 4.47Å; Y45-L96 HydrophobicContact CD2-CB 4.26Å; Y45-L96 HydrophobicContact CD2-CD1 3.41Å; Y45-L96 VanDerWaalsContact CD2-CD1 3.41Å; Y45-L96 HydrophobicContact CD2-CG 4.48Å; Y45-L96 HydrophobicContact CE2-CD1 3.78Å; Y45-L96 HydrophobicContact CG-CB 3.87Å; Y45-L96 HydrophobicContact CG-CD1 3.87Å; Y45-P97 HydrophobicContact CD1-CG 4.49Å
46D96.1Very high96Very high123 Ų12344.9 Ų44.966%0.65823%0.233SC*.THydrogen-bonded Turntrans61.715.5179.4-56.5-40.4000115.4K43 A100K43-D46 PolarHBondContact O-N 2.72Å; D46-A100 HydrophobicContact CB-CB 4.4Å
47G96.7Very high96Very high9 Ų951.5 Ų51.59%0.09326%0.258CS..  trans-84.1174.1177.300000114.9I41 D42 K43 Y45I41-G47 CarbonylContact O-C 3.11Å; I41-G47 VanDerWaalsContact O-CA 3.27Å; I41-G47 WeakPolarHBondContact O-CA 3.33Å; D42-G47 PolarHBondContact O-N 3.37Å; D42-G47 VanDerWaalsContact O-N 3.15Å; K43-G47 WeakPolarHBondContact CA-O 3.47Å; Y45-G47 PolarHBondContact O-N 3.08Å; Y45-G47 VanDerWaalsContact O-N 3.12Å
48L96.1Very high96Very high66 Ų6651.6 Ų51.635%0.34626%0.259SS..  trans-87.2-17176.6-63.2179.3000113.4M1 G35 A38 L39 I41 K43 F50M1-L48 HydrophobicContact CE-CD1 3.89Å; G35-L48 WeakPolarHBondContact O-CD1 3.26Å; A38-L48 HydrophobicContact CB-CG 4.43Å; A38-L48 PolarHBondContact O-N 3.23Å; L39-L48 HydrophobicContact CD2-CD1 3.71Å; I41-L48 PolarHBondContact O-N 3.28Å; K43-L48 VanDerWaalsContact CE-O 3.31Å; K43-L48 WeakPolarHBondContact CE-O 3.43Å; L48-F50 HydrophobicContact CB-CD1 3.73Å; L48-F50 HydrophobicContact CB-CE1 3.83Å; L48-F50 HydrophobicContact CD1-CE1 4.24Å
49G94.4Very high96Very high30 Ų3051.4 Ų51.431%0.30926%0.257SS..  trans63.740.5177.700000113.9L39 I41L39-G49 PolarHBondContact O-N 2.88Å; I41-G49 WeakPolarHBondContact O-CA 3.43Å; I41-G49 PolarHBondContact O-N 3.15Å
50F95.3Very high96.1Very high50 Ų5051.8 Ų51.822%0.21926%0.259CS..  trans-68133.6178.3-80.224.3000110.2M1 L39 L48 Q54 W55M1-F50 HydrophobicContact CE-CZ 4.32Å; M1-F50 HydrophobicContact SD-CE1 4.29Å; M1-F50 HydrophobicContact SD-CE2 3.67Å; M1-F50 HydrophobicContact SD-CZ 3.25Å; M1-F50 WeakPolarHBondContact SD-CZ 3.16Å; L39-F50 HydrophobicContact CB-CD2 4.28Å; L39-F50 HydrophobicContact CB-CG 4.38Å; L39-F50 HydrophobicContact CD2-CD2 4.06Å; L39-F50 HydrophobicContact CD2-CE2 3.89Å; L39-F50 HydrophobicContact CD2-CZ 4.3Å; L39-F50 WeakPolarHBondContact O-CB 3.31Å; L39-F50 PolarHBondContact O-N 3.33Å; L48-F50 HydrophobicContact CB-CD1 3.73Å; L48-F50 HydrophobicContact CB-CE1 3.83Å; L48-F50 HydrophobicContact CD1-CE1 4.24Å; F50-Q54 HydrophobicContact CB-CB 3.94Å; F50-Q54 HydrophobicContact CD2-CB 3.63Å; F50-Q54 HydrophobicContact CE2-CB 4.16Å; F50-Q54 HydrophobicContact CG-CB 3.86Å; F50-W55 HydrophobicContact CB-CB 4.28Å
51N94.7Very high96.5Very high67 Ų6750.7 Ų50.736%0.35825%0.252SS..  trans-73175.3165.275.74.8000110.8T53 Q54 W55 D294N51-T53 PolarHBondContact O-N 2.84Å; N51-T53 PolarHBondContact OD1-N 3.24Å; N51-Q54 PolarHBondContact O-N 3.39Å; N51-Q54 VanDerWaalsContact OD1-CB 3.29Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.24Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.33Å; N51-Q54 PolarHBondContact OD1-N 2.71Å; N51-Q54 PolarHBondContact OD1-OE1 2.95Å; N51-W55 WeakPolarHBondContact O-CB 3.06Å; N51-W55 PolarHBondContact O-N 3Å; N51-D294 WeakPolarHBondContact CB-OD1 3.32Å; N51-D294 PolarHBondContact ND2-OD2 3.23Å
52T95.2Very high96.5Very high27 Ų2750.7 Ų50.717%0.16625%0.252CS..Hα-helixtrans-59-47-175.1-45.20000110.9W55 I56 L231 L293 D294T52-W55 HydrophobicContact CG2-CE3 4.37Å; T52-W55 PolarHBondContact O-N 3.43Å; T52-I56 HydrophobicContact CG2-CG2 4.5Å; T52-I56 VanDerWaalsContact O-CG1 3.23Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 2.99Å; T52-L231 HydrophobicContact CG2-CD1 3.91Å; T52-L293 HydrophobicContact CG2-CB 4.41Å; T52-L293 HydrophobicContact CG2-CD1 4.16Å; T52-D294 WeakPolarHBondContact CA-OD1 3.18Å; T52-D294 WeakPolarHBondContact CB-OD1 3.44Å; T52-D294 PolarHBondContact N-OD1 3.47Å; T52-D294 PolarHBondContact OG1-OD1 3.16Å; T52-D294 VanDerWaalsContact OG1-OD1 3.13Å
53T97.6Very high96.6Very high32 Ų3247.7 Ų47.720%0.19624%0.236CC..Hα-helixtrans-66.3-38.5-179.2-59.20000112.8N51 I56 R57 F287 S290 G291 D294N51-T53 PolarHBondContact O-N 2.84Å; N51-T53 PolarHBondContact OD1-N 3.24Å; T53-I56 WeakPolarHBondContact O-CG1 3.45Å; T53-R57 VanDerWaalsContact O-CG 3.29Å; T53-R57 WeakPolarHBondContact O-CG 3.33Å; T53-R57 PolarHBondContact O-N 3.11Å; T53-F287 HydrophobicContact CG2-CD1 4.08Å; T53-F287 HydrophobicContact CG2-CE1 4.24Å; T53-S290 VanDerWaalsContact OG1-C 3.3Å; T53-S290 WeakPolarHBondContact OG1-CB 3.5Å; T53-S290 PolarHBondContact OG1-O 2.9Å; T53-S290 PolarHBondContact OG1-OG 3.42Å; T53-G291 PolarHBondContact OG1-N 3.08Å; T53-D294 WeakPolarHBondContact CB-OD2 3.28Å; T53-D294 PolarHBondContact N-OD1 3Å; T53-D294 PolarHBondContact N-OD2 3.13Å; T53-D294 PolarHBondContact OG1-OD2 3.21Å
54Q97.3Very high96.6Very high95 Ų9540.3 Ų40.344%0.44420%0.204SC..Hα-helixtrans-65.2-43.3175.6-72.8166.9-21.900111.1F50 N51 R57 A58F50-Q54 HydrophobicContact CB-CB 3.94Å; F50-Q54 HydrophobicContact CD2-CB 3.63Å; F50-Q54 HydrophobicContact CE2-CB 4.16Å; F50-Q54 HydrophobicContact CG-CB 3.86Å; N51-Q54 PolarHBondContact O-N 3.39Å; N51-Q54 VanDerWaalsContact OD1-CB 3.29Å; N51-Q54 WeakPolarHBondContact OD1-CB 3.24Å; N51-Q54 WeakPolarHBondContact OD1-CG 3.33Å; N51-Q54 PolarHBondContact OD1-N 2.71Å; N51-Q54 PolarHBondContact OD1-OE1 2.95Å; Q54-R57 PolarHBondContact O-N 3.18Å; Q54-A58 PolarHBondContact O-N 3.44Å
55W95.8Very high96.6Very high15 Ų1533.6 Ų33.66%0.05717%0.173CC..Hα-helixtrans-63.5-51.8178.3168.756.2000112.3F50 N51 T52 R57 A58 C59 S77 N232F50-W55 HydrophobicContact CB-CB 4.28Å; N51-W55 WeakPolarHBondContact O-CB 3.06Å; N51-W55 PolarHBondContact O-N 3Å; T52-W55 HydrophobicContact CG2-CE3 4.37Å; T52-W55 PolarHBondContact O-N 3.43Å; W55-R57 PolarHBondContact O-N 3.35Å; W55-A58 WeakPolarHBondContact O-CA 3.35Å; W55-A58 VanDerWaalsContact O-CB 3.32Å; W55-A58 WeakPolarHBondContact O-CB 3.25Å; W55-A58 PolarHBondContact O-N 2.84Å; W55-C59 PolarHBondContact NE1-SG 3.49Å; W55-C59 PolarHBondContact O-N 3.15Å; W55-C59 PolarHBondContact O-SG 2.77Å; W55-S77 VanDerWaalsContact CZ2-OG 3.22Å; W55-S77 WeakPolarHBondContact CZ2-OG 3.33Å; W55-N232 HydrophobicContact CH2-CB 3.69Å; W55-N232 HydrophobicContact CZ2-CB 3.63Å
56I97Very high96.5Very high0 Ų032.5 Ų32.50%017%0.171CC..Hα-helixtrans-62-31.8-179.758138.9000112.3T52 T53 A58 C59 E60 L231 A235 L286 F287 S290T52-I56 HydrophobicContact CG2-CG2 4.5Å; T52-I56 VanDerWaalsContact O-CG1 3.23Å; T52-I56 WeakPolarHBondContact O-CG1 3.48Å; T52-I56 PolarHBondContact O-N 2.99Å; T53-I56 WeakPolarHBondContact O-CG1 3.45Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 3.49Å; I56-C59 WeakPolarHBondContact O-CB 3.25Å; I56-C59 PolarHBondContact O-N 2.89Å; I56-C59 VanDerWaalsContact O-N 3.16Å; I56-E60 PolarHBondContact O-N 2.94Å; I56-L231 HydrophobicContact CG2-CB 4.05Å; I56-A235 HydrophobicContact CB-CB 4.13Å; I56-A235 WeakPolarHBondContact O-CB 3.41Å; I56-L286 HydrophobicContact CB-CD1 4.24Å; I56-L286 HydrophobicContact CD1-CD1 3.67Å; I56-L286 HydrophobicContact CD1-CD2 4.12Å; I56-L286 HydrophobicContact CD1-CG 3.52Å; I56-L286 HydrophobicContact CG2-CD1 4.31Å; I56-F287 HydrophobicContact CD1-CD1 3.8Å; I56-F287 HydrophobicContact CD1-CE1 3.7Å; I56-F287 HydrophobicContact CD1-CZ 4.4Å; I56-S290 VanDerWaalsContact CD1-CB 3.45Å; I56-S290 VanDerWaalsContact CD1-OG 3.31Å; I56-S290 WeakPolarHBondContact CD1-OG 3.36Å
57R97.1Very high96.5Very high138 Ų13826.8 Ų26.852%0.52114%0.14SC..Hα-helixtrans-64.7-37171.9-72.3-175.682.5169.47.2112.3H2 T53 Q54 W55 C59 F287H2-R57 PolarHBondContact ND1-O 3Å; T53-R57 VanDerWaalsContact O-CG 3.29Å; T53-R57 WeakPolarHBondContact O-CG 3.33Å; T53-R57 PolarHBondContact O-N 3.11Å; Q54-R57 PolarHBondContact O-N 3.18Å; W55-R57 PolarHBondContact O-N 3.35Å; R57-C59 VanDerWaalsContact C-N 3.34Å; R57-F287 HydrophobicContact CG-CE1 3.51Å; R57-F287 HydrophobicContact CG-CZ 3.78Å
58A97.3Very high96.6Very high4 Ų426.4 Ų26.43%0.03314%0.136CC..Hα-helixtrans-65.5-41.7171.800000110.6I5 L39 Q54 W55 I56 E60 A61 I62I5-A58 HydrophobicContact CD1-CB 3.75Å; L39-A58 HydrophobicContact CD1-CB 3.76Å; Q54-A58 PolarHBondContact O-N 3.44Å; W55-A58 WeakPolarHBondContact O-CA 3.35Å; W55-A58 VanDerWaalsContact O-CB 3.32Å; W55-A58 WeakPolarHBondContact O-CB 3.25Å; W55-A58 PolarHBondContact O-N 2.84Å; I56-A58 VanDerWaalsContact C-N 3.34Å; I56-A58 PolarHBondContact O-N 3.49Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 3.39Å; A58-A61 PolarHBondContact O-N 3.42Å; A58-I62 HydrophobicContact CB-CD1 4.36Å; A58-I62 WeakPolarHBondContact O-CG1 3.46Å; A58-I62 PolarHBondContact O-N 2.91Å
59C96.9Very high96.6Very high2 Ų224.1 Ų24.11%0.01412%0.123CC..Hα-helixtrans-60-33.6178.6-67.50000114W55 I56 R57 A61 I62 G63 N232 A235W55-C59 PolarHBondContact NE1-SG 3.49Å; W55-C59 PolarHBondContact O-N 3.15Å; W55-C59 PolarHBondContact O-SG 2.77Å; I56-C59 WeakPolarHBondContact O-CB 3.25Å; I56-C59 PolarHBondContact O-N 2.89Å; I56-C59 VanDerWaalsContact O-N 3.16Å; R57-C59 VanDerWaalsContact C-N 3.34Å; C59-A61 PolarHBondContact O-N 3.39Å; C59-I62 PolarHBondContact O-N 3.23Å; C59-G63 PolarHBondContact O-N 3Å; C59-N232 WeakPolarHBondContact CB-OD1 3.39Å; C59-N232 PolarHBondContact SG-OD1 3.18Å; C59-A235 HydrophobicContact CB-CB 3.68Å
60E97.7Very high96.7Very high8 Ų823.2 Ų23.24%0.03711%0.112CC..Hα-helixtrans-58.7-33.5172.6-66.317992.100113I56 A58 A235 V238 G239 R242 L286 F287I56-E60 PolarHBondContact O-N 2.94Å; A58-E60 VanDerWaalsContact C-N 3.29Å; A58-E60 PolarHBondContact O-N 3.39Å; E60-A235 WeakPolarHBondContact CA-O 3.44Å; E60-A235 HydrophobicContact CG-CB 4.23Å; E60-V238 HydrophobicContact CG-CG1 4.45Å; E60-V238 VanDerWaalsContact OE1-CG1 3.31Å; E60-V238 WeakPolarHBondContact OE1-CG1 3.33Å; E60-G239 VanDerWaalsContact O-CA 3.23Å; E60-G239 WeakPolarHBondContact O-CA 3.48Å; E60-R242 IonicContact OE1-CZ 3.92Å; E60-R242 IonicContact OE1-NH1 3.52Å; E60-R242 PolarHBondContact OE1-NH1 2.98Å; E60-R242 IonicContact OE1-NH2 2.7Å; E60-R242 PolarHBondContact OE1-NH2 2.93Å; E60-L286 HydrophobicContact CG-CD2 4.48Å; E60-F287 WeakPolarHBondContact OE2-CZ 3.23Å
61A97.9Very high96.7Very high1 Ų120.9 Ų20.91%0.00810%0.102CC..Hα-helixtrans-85-38.7177.200000112.1I5 K6 A58 C59 G63 L64I5-A61 HydrophobicContact CB-CB 3.86Å; I5-A61 HydrophobicContact CG2-CB 3.62Å; K6-A61 HydrophobicContact CB-CB 3.91Å; A58-A61 PolarHBondContact O-N 3.42Å; C59-A61 PolarHBondContact O-N 3.39Å; A61-G63 VanDerWaalsContact C-N 3.29Å; A61-G63 PolarHBondContact O-N 2.86Å; A61-L64 WeakPolarHBondContact O-CB 3.5Å; A61-L64 WeakPolarHBondContact O-CG 3.44Å; A61-L64 PolarHBondContact O-N 3.17Å
62I97.3Very high96.8Very high2 Ų217.8 Ų17.81%0.019%0.085CC..Hα-helixtrans-60.2-40.6176.3-70.9165.3000110.9I5 L39 A58 C59 L64 D65 V68 W69 L72I5-I62 HydrophobicContact CG2-CG1 3.93Å; L39-I62 HydrophobicContact CD1-CD1 4.05Å; A58-I62 HydrophobicContact CB-CD1 4.36Å; A58-I62 WeakPolarHBondContact O-CG1 3.46Å; A58-I62 PolarHBondContact O-N 2.91Å; C59-I62 PolarHBondContact O-N 3.23Å; I62-L64 PolarHBondContact O-N 3.41Å; I62-D65 PolarHBondContact O-N 3.04Å; I62-V68 HydrophobicContact CG2-CG1 4.32Å; I62-W69 HydrophobicContact CG2-CB 3.96Å; I62-W69 HydrophobicContact CG2-CG 4.47Å; I62-L72 HydrophobicContact CD1-CD1 3.8Å; I62-L72 HydrophobicContact CG1-CD1 3.97Å; I62-L72 HydrophobicContact CG2-CD1 3.79Å
63G96.3Very high96.9Very high2 Ų216.9 Ų16.92%0.0218%0.08CC..THydrogen-bonded Turntrans-61.2-9.3-179.700000115.6C59 A61 D65 S236 V240C59-G63 PolarHBondContact O-N 3Å; A61-G63 VanDerWaalsContact C-N 3.29Å; A61-G63 PolarHBondContact O-N 2.86Å; G63-D65 PolarHBondContact O-N 2.83Å; G63-S236 VanDerWaalsContact CA-OG 3.29Å; G63-S236 WeakPolarHBondContact CA-OG 3.41Å; G63-V240 WeakPolarHBondContact O-CG2 3.36Å
64L97.1Very high96.8Very high5 Ų515.5 Ų15.53%0.0267%0.072CC..THydrogen-bonded Turntrans-70.4-5174.7-62.2175.3000113.4K6 I9 L10 A61 I62 Y243 F341K6-L64 HydrophobicContact CD-CD1 4.37Å; K6-L64 HydrophobicContact CG-CD1 3.8Å; I9-L64 HydrophobicContact CG2-CB 3.76Å; L10-L64 HydrophobicContact CD1-CD1 4.32Å; L10-L64 HydrophobicContact CD2-CD1 4.08Å; L10-L64 HydrophobicContact CG-CD1 4.02Å; A61-L64 WeakPolarHBondContact O-CB 3.5Å; A61-L64 WeakPolarHBondContact O-CG 3.44Å; A61-L64 PolarHBondContact O-N 3.17Å; I62-L64 PolarHBondContact O-N 3.41Å; L64-Y243 HydrophobicContact CD2-CG 4Å; L64-F341 HydrophobicContact CB-CZ 4.46Å; L64-F341 HydrophobicContact CD2-CZ 4.24Å; L64-F341 WeakPolarHBondContact O-CE1 3.39Å; L64-F341 WeakPolarHBondContact O-CZ 3.3Å
65D96.9Very high96.8Very high1 Ų111 Ų111%0.0055%0.051CC..SBendtrans-135.9119.5162.3-176.4-72000109.6I9 M12 S14 I62 G63 S67 V68 W69I9-D65 HydrophobicContact CG2-CB 3.88Å; M12-D65 HydrophobicContact CE-CB 3.7Å; M12-D65 VanDerWaalsContact CE-CG 3.48Å; M12-D65 WeakPolarHBondContact CE-OD2 2.93Å; S14-D65 WeakPolarHBondContact CB-OD2 3.12Å; S14-D65 PolarHBondContact OG-OD2 2.98Å; I62-D65 PolarHBondContact O-N 3.04Å; G63-D65 PolarHBondContact O-N 2.83Å; D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CA 3.27Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.4Å; D65-V68 HydrophobicContact CB-CB 4.11Å; D65-V68 HydrophobicContact CB-CG2 4.14Å; D65-V68 PolarHBondContact O-N 2.94Å; D65-V68 PolarHBondContact OD1-N 3.25Å; D65-W69 VanDerWaalsContact O-CB 3.29Å; D65-W69 WeakPolarHBondContact O-CB 3.29Å; D65-W69 PolarHBondContact O-N 2.91Å
66G96Very high96.8Very high6 Ų610.4 Ų10.46%0.0625%0.049CC..Hα-helixtrans-65.2-27.8-176.600000114.1A70 A191 D344G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.38Å; G66-A70 PolarHBondContact O-N 3.46Å; G66-A191 WeakPolarHBondContact O-CB 3.38Å; G66-D344 WeakPolarHBondContact CA-OD2 3.43Å; G66-D344 PolarHBondContact N-OD2 2.77Å; G66-D344 VanDerWaalsContact N-OD2 3.14Å
67S96.7Very high96.4Very high3 Ų310.7 Ų10.72%0.0215%0.051CC..Hα-helixtrans-78.3-42.9-179.1-55.50000111.6D65 A70 T71 R192 G193D65-S67 VanDerWaalsContact C-N 3.27Å; D65-S67 PolarHBondContact O-N 3.19Å; D65-S67 WeakPolarHBondContact OD1-CA 3.27Å; D65-S67 VanDerWaalsContact OD1-CB 3.28Å; D65-S67 WeakPolarHBondContact OD1-CB 3.27Å; D65-S67 PolarHBondContact OD1-N 3.4Å; S67-A70 PolarHBondContact O-N 3.35Å; S67-T71 WeakPolarHBondContact O-CB 3.33Å; S67-T71 PolarHBondContact O-N 2.91Å; S67-T71 PolarHBondContact O-OG1 2.68Å; S67-R192 PolarHBondContact OG-N 2.75Å; S67-G193 WeakPolarHBondContact OG-CA 3.49Å; S67-G193 PolarHBondContact OG-N 3.02Å
68V97.2Very high96.4Very high0 Ų04.4 Ų4.40%03%0.027CC..Hα-helixtrans-63.2-45.2171.4174.40000110.1I9 M12 L23 L31 I62 D65 A70 T71 L72I9-V68 HydrophobicContact CD1-CB 4.37Å; I9-V68 HydrophobicContact CD1-CG1 3.79Å; I9-V68 HydrophobicContact CD1-CG2 4.43Å; M12-V68 HydrophobicContact CE-CG2 3.58Å; M12-V68 HydrophobicContact SD-CG2 3.86Å; L23-V68 HydrophobicContact CD1-CG2 3.94Å; L23-V68 HydrophobicContact CD2-CG2 4.38Å; L31-V68 HydrophobicContact CD1-CG1 3.78Å; L31-V68 HydrophobicContact CD1-CG2 4.35Å; L31-V68 HydrophobicContact CD2-CG1 3.69Å; L31-V68 HydrophobicContact CG-CG1 4.42Å; I62-V68 HydrophobicContact CG2-CG1 4.32Å; D65-V68 HydrophobicContact CB-CB 4.11Å; D65-V68 HydrophobicContact CB-CG2 4.14Å; D65-V68 PolarHBondContact O-N 2.94Å; D65-V68 PolarHBondContact OD1-N 3.25Å; V68-A70 PolarHBondContact O-N 3.05Å; V68-T71 PolarHBondContact O-N 3.44Å; V68-L72 HydrophobicContact CG1-CD1 3.75Å; V68-L72 HydrophobicContact CG1-CG 4.17Å; V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.32Å
69W96.8Very high96.4Very high19 Ų194.2 Ų4.27%0.0723%0.026CC..Hα-helixtrans-57.5-48.1175.5174.981000112.4I62 D65 T73 H229 N232 H348I62-W69 HydrophobicContact CG2-CB 3.96Å; I62-W69 HydrophobicContact CG2-CG 4.47Å; D65-W69 VanDerWaalsContact O-CB 3.29Å; D65-W69 WeakPolarHBondContact O-CB 3.29Å; D65-W69 PolarHBondContact O-N 2.91Å; W69-T73 WeakPolarHBondContact O-CB 3.3Å; W69-T73 PolarHBondContact O-N 2.97Å; W69-T73 PolarHBondContact O-OG1 3.27Å; W69-H229 AromaticContact CH2-CE1 3.75Å; W69-H229 AromaticContact CZ2-CE1 3.67Å; W69-N232 PolarHBondContact NE1-OD1 2.93Å; W69-H348 AromaticContact CH2-CD2 3.99Å; W69-H348 AromaticContact CH2-NE2 3.9Å; W69-H348 AromaticContact CZ3-NE2 3.94Å
70A96.4Very high96.4Very high10 Ų104.3 Ų4.38%0.0833%0.026CC..Hα-helixtrans-61.9-47.3178.400000111.6G66 S67 V68 L72 T73 A74 T145 A191G66-A70 VanDerWaalsContact O-CB 3.27Å; G66-A70 WeakPolarHBondContact O-CB 3.38Å; G66-A70 PolarHBondContact O-N 3.46Å; S67-A70 PolarHBondContact O-N 3.35Å; V68-A70 PolarHBondContact O-N 3.05Å; A70-L72 PolarHBondContact O-N 3.48Å; A70-T73 WeakPolarHBondContact O-CB 3.32Å; A70-T73 PolarHBondContact O-N 3.23Å; A70-A74 PolarHBondContact O-N 2.69Å; A70-T145 HydrophobicContact CB-CG2 4.13Å; A70-T145 WeakPolarHBondContact O-CG2 3.39Å; A70-A191 HydrophobicContact CB-CB 4.31Å
71T96.5Very high96.2Very high1 Ų16.6 Ų6.61%0.0064%0.036CC..Hα-helixtrans-57.8-51.5179.4-61.40000111.6L23 I28 S67 V68 T73 A74 H75 N146L23-T71 HydrophobicContact CD2-CG2 3.86Å; I28-T71 HydrophobicContact CG1-CG2 4.5Å; S67-T71 WeakPolarHBondContact O-CB 3.33Å; S67-T71 PolarHBondContact O-N 2.91Å; S67-T71 PolarHBondContact O-OG1 2.68Å; V68-T71 PolarHBondContact O-N 3.44Å; T71-T73 VanDerWaalsContact C-N 3.32Å; T71-T73 PolarHBondContact O-N 3.41Å; T71-A74 PolarHBondContact O-N 3.46Å; T71-H75 WeakPolarHBondContact O-CB 3.46Å; T71-H75 PolarHBondContact O-N 2.86Å; T71-H75 VanDerWaalsContact O-N 3.1Å; T71-N146 WeakPolarHBondContact CA-OD1 3.27Å; T71-N146 WeakPolarHBondContact CG2-OD1 3.48Å; T71-N146 PolarHBondContact O-ND2 3.45Å
72L96.8Very high96.1Very high2 Ų26.6 Ų6.61%0.014%0.036CC..Hα-helixtrans-66.6-35.2179.8-71.6-176.8000111.7L31 L36 L37 I62 V68 A70 Q76L31-L72 HydrophobicContact CD1-CD2 4.37Å; L31-L72 HydrophobicContact CD1-CG 4.45Å; L36-L72 HydrophobicContact CB-CD1 3.93Å; L36-L72 HydrophobicContact CB-CD2 4.22Å; L36-L72 HydrophobicContact CD1-CD1 4.31Å; L37-L72 HydrophobicContact CD2-CD2 3.45Å; L37-L72 VanDerWaalsContact CD2-CD2 3.45Å; L37-L72 HydrophobicContact CG-CD2 4.36Å; I62-L72 HydrophobicContact CD1-CD1 3.8Å; I62-L72 HydrophobicContact CG1-CD1 3.97Å; I62-L72 HydrophobicContact CG2-CD1 3.79Å; V68-L72 HydrophobicContact CG1-CD1 3.75Å; V68-L72 HydrophobicContact CG1-CG 4.17Å; V68-L72 WeakPolarHBondContact O-CB 3.42Å; V68-L72 WeakPolarHBondContact O-CG 3.47Å; V68-L72 PolarHBondContact O-N 3.32Å; A70-L72 PolarHBondContact O-N 3.48Å; L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 WeakPolarHBondContact O-CG 3.4Å; L72-Q76 PolarHBondContact O-N 2.99Å
73T95.8Very high96.1Very high8 Ų86.5 Ų6.55%0.0494%0.036CC..Iπ-helixtrans-63.1-51.2176.5-65.20000111.6W69 A70 T71 H75 S77 L78 H229 N232W69-T73 WeakPolarHBondContact O-CB 3.3Å; W69-T73 PolarHBondContact O-N 2.97Å; W69-T73 PolarHBondContact O-OG1 3.27Å; A70-T73 WeakPolarHBondContact O-CB 3.32Å; A70-T73 PolarHBondContact O-N 3.23Å; T71-T73 VanDerWaalsContact C-N 3.32Å; T71-T73 PolarHBondContact O-N 3.41Å; T73-H75 VanDerWaalsContact C-N 3.31Å; T73-H75 PolarHBondContact O-N 3.05Å; T73-S77 WeakPolarHBondContact O-CA 3.25Å; T73-S77 WeakPolarHBondContact O-CB 2.95Å; T73-S77 PolarHBondContact O-N 2.85Å; T73-L78 HydrophobicContact CG2-CD1 4.44Å; T73-L78 HydrophobicContact CG2-CG 4.4Å; T73-L78 PolarHBondContact O-N 3.38Å; T73-L78 VanDerWaalsContact O-N 3.08Å; T73-H229 VanDerWaalsContact CG2-CE1 3.49Å; T73-H229 WeakPolarHBondContact CG2-CE1 3.49Å; T73-H229 VanDerWaalsContact CG2-ND1 3.3Å; T73-H229 WeakPolarHBondContact CG2-ND1 3.37Å; T73-N232 PolarHBondContact OG1-ND2 3.26Å
74A96.6Very high96.1Very high4 Ų47 Ų73%0.0334%0.039CC..Iπ-helixtrans-62.8-40.9-18000000111.8A70 T71 T79 T145A70-A74 PolarHBondContact O-N 2.69Å; T71-A74 PolarHBondContact O-N 3.46Å; A74-T79 WeakPolarHBondContact O-CB 3.3Å; A74-T79 PolarHBondContact O-N 3.22Å; A74-T79 PolarHBondContact O-OG1 2.92Å; A74-T145 HydrophobicContact CB-CG2 3.56Å
75H97.5Very high95.9Very high0 Ų010.7 Ų10.70%06%0.058CC..Iπ-helixtrans-65.2-61.9176.3178.1102.1000111.8L37 T71 T73 T79 A80 L99 F104 G106L37-H75 HydrophobicContact CD2-CB 4.4Å; L37-H75 PolarHBondContact O-NE2 3.46Å; T71-H75 WeakPolarHBondContact O-CB 3.46Å; T71-H75 PolarHBondContact O-N 2.86Å; T71-H75 VanDerWaalsContact O-N 3.1Å; T73-H75 VanDerWaalsContact C-N 3.31Å; T73-H75 PolarHBondContact O-N 3.05Å; H75-T79 WeakPolarHBondContact O-CB 3.34Å; H75-A80 PolarHBondContact O-N 3.22Å; H75-L99 PolarHBondContact CE1-O 3.48Å; H75-L99 VanDerWaalsContact CE1-O 3.25Å; H75-L99 PolarHBondContact NE2-O 3.43Å; H75-L99 VanDerWaalsContact NE2-O 3.12Å; H75-F104 PolarHBondContact CE1-O 3.25Å; H75-G106 PolarHBondContact ND1-N 3.2Å
76Q94Very high95.8Very high3 Ų313.2 Ų13.21%0.0147%0.071CC..Iπ-helixtrans-91.9-46.9-165.588.2-173.7-9500112.8L36 L72 K81L36-Q76 PolarHBondContact O-NE2 2.82Å; L72-Q76 WeakPolarHBondContact O-CB 3.24Å; L72-Q76 WeakPolarHBondContact O-CG 3.4Å; L72-Q76 PolarHBondContact O-N 2.99Å; Q76-K81 WeakPolarHBondContact O-CB 3.37Å; Q76-K81 PolarHBondContact O-N 2.71Å
77S90.7Very high95.8Very high5 Ų513.4 Ų13.44%0.0357%0.074CC..Iπ-helixtrans-82.1-22.2-168.1-44.90000112.1W55 T73 K81 N232W55-S77 VanDerWaalsContact CZ2-OG 3.22Å; W55-S77 WeakPolarHBondContact CZ2-OG 3.33Å; T73-S77 WeakPolarHBondContact O-CA 3.25Å; T73-S77 WeakPolarHBondContact O-CB 2.95Å; T73-S77 PolarHBondContact O-N 2.85Å; S77-K81 WeakPolarHBondContact O-CB 3.3Å; S77-N232 PolarHBondContact OG-ND2 3.21Å
78L95.6Very high95.9Very high7 Ų716.4 Ų16.44%0.0379%0.092CC..Iπ-helixtrans-107.9-69.5177.1-56.6-179.7000110.4T73 T82 F108 V225 H229 M352T73-L78 HydrophobicContact CG2-CD1 4.44Å; T73-L78 HydrophobicContact CG2-CG 4.4Å; T73-L78 PolarHBondContact O-N 3.38Å; T73-L78 VanDerWaalsContact O-N 3.08Å; L78-T82 WeakPolarHBondContact O-CB 3.35Å; L78-T82 PolarHBondContact O-N 3.26Å; L78-T82 PolarHBondContact O-OG1 2.78Å; L78-F108 HydrophobicContact CB-CB 3.85Å; L78-F108 HydrophobicContact CB-CD1 4.31Å; L78-F108 HydrophobicContact CB-CD2 3.66Å; L78-F108 HydrophobicContact CB-CE2 4.2Å; L78-F108 HydrophobicContact CB-CG 3.7Å; L78-F108 HydrophobicContact CD1-CB 3.95Å; L78-F108 HydrophobicContact CD1-CD1 3.93Å; L78-F108 HydrophobicContact CD1-CG 3.98Å; L78-F108 HydrophobicContact CG-CG 4.39Å; L78-V225 HydrophobicContact CD2-CG1 3.62Å; L78-H229 HydrophobicContact CD2-CB 4.26Å; L78-M352 HydrophobicContact CD1-CE 3.95Å; L78-M352 HydrophobicContact CD1-SD 3.52Å; L78-M352 VanDerWaalsContact CD1-SD 3.52Å; L78-M352 HydrophobicContact CD2-CE 4.02Å; L78-M352 HydrophobicContact CD2-SD 4.23Å
79T97.7Very high95.9Very high0 Ų024.4 Ų24.40%013%0.127CC..Iπ-helixtrans-64.5-62.3-171.8-490000112.1A74 H75 K81 T82 I83 G107 V152 V154A74-T79 WeakPolarHBondContact O-CB 3.3Å; A74-T79 PolarHBondContact O-N 3.22Å; A74-T79 PolarHBondContact O-OG1 2.92Å; H75-T79 WeakPolarHBondContact O-CB 3.34Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 2.93Å; T79-T82 PolarHBondContact O-N 3.48Å; T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.45Å; T79-I83 PolarHBondContact O-N 2.95Å; T79-I83 VanDerWaalsContact O-N 3.13Å; T79-G107 PolarHBondContact OG1-N 2.99Å; T79-G107 PolarHBondContact OG1-O 3.47Å; T79-V152 HydrophobicContact CG2-CG1 4.46Å; T79-V154 HydrophobicContact CG2-CG2 3.78Å
80A97Very high96Very high3 Ų330 Ų303%0.02515%0.153CC..Iπ-helixtrans-61.6-39.8-178.200000111.9I41 H75 T82 I83 S84 L96 L99I41-A80 HydrophobicContact CD1-CB 4.05Å; I41-A80 HydrophobicContact CG1-CB 4.09Å; H75-A80 PolarHBondContact O-N 3.22Å; A80-T82 PolarHBondContact O-N 3.35Å; A80-I83 PolarHBondContact O-N 3.27Å; A80-S84 WeakPolarHBondContact O-CB 3.48Å; A80-S84 PolarHBondContact O-N 3.28Å; A80-L96 HydrophobicContact CB-CD2 4.43Å; A80-L99 HydrophobicContact CB-CD1 3.98Å
81K94.1Very high96.1Very high57 Ų5730 Ų3025%0.24815%0.152CC..Hα-helixtrans-63.2-41.9177-17256.8173.9178.40112.6Q76 S77 T79 I83 S84 L85 L228Q76-K81 WeakPolarHBondContact O-CB 3.37Å; Q76-K81 PolarHBondContact O-N 2.71Å; S77-K81 WeakPolarHBondContact O-CB 3.3Å; T79-K81 VanDerWaalsContact C-N 3.31Å; T79-K81 PolarHBondContact O-N 2.93Å; K81-I83 VanDerWaalsContact C-N 3.34Å; K81-I83 PolarHBondContact O-N 3.18Å; K81-S84 PolarHBondContact O-N 2.67Å; K81-L85 HydrophobicContact CD-CD1 4.28Å; K81-L85 HydrophobicContact CD-CG 4.17Å; K81-L85 HydrophobicContact CG-CD1 4.1Å; K81-L85 HydrophobicContact CG-CG 4.41Å; K81-L85 WeakPolarHBondContact O-CB 3.43Å; K81-L85 VanDerWaalsContact O-CG 3.31Å; K81-L85 WeakPolarHBondContact O-CG 3.31Å; K81-L85 PolarHBondContact O-N 3.28Å; K81-L228 HydrophobicContact CG-CD1 4.43Å
82T95.9Very high96.2Very high0 Ų032 Ų320%016%0.161CC..Hα-helixtrans-63-43.2177.6-50.60000110.7L78 T79 A80 L85 L86 V154 L212 T221 V225L78-T82 WeakPolarHBondContact O-CB 3.35Å; L78-T82 PolarHBondContact O-N 3.26Å; L78-T82 PolarHBondContact O-OG1 2.78Å; T79-T82 PolarHBondContact O-N 3.48Å; A80-T82 PolarHBondContact O-N 3.35Å; T82-L85 PolarHBondContact O-N 2.8Å; T82-L86 HydrophobicContact CG2-CD1 4.1Å; T82-L86 WeakPolarHBondContact O-CB 3.27Å; T82-L86 PolarHBondContact O-N 3.4Å; T82-V154 HydrophobicContact CG2-CG1 4.08Å; T82-L212 HydrophobicContact CG2-CD2 3.63Å; T82-T221 HydrophobicContact CG2-CG2 3.7Å; T82-V225 HydrophobicContact CG2-CG2 4.32Å; T82-V225 WeakPolarHBondContact OG1-CG2 3.37Å
83I97.6Very high96.2Very high0 Ų034.8 Ų34.80%018%0.184CC..Hα-helixtrans-65.3-42.4176.5-62.6172.2000111.2T79 A80 K81 L85 G87 K92 Y95 L96 L99 V154 I172 L212T79-I83 HydrophobicContact CG2-CD1 4.28Å; T79-I83 WeakPolarHBondContact O-CG1 3.45Å; T79-I83 PolarHBondContact O-N 2.95Å; T79-I83 VanDerWaalsContact O-N 3.13Å; A80-I83 PolarHBondContact O-N 3.27Å; K81-I83 VanDerWaalsContact C-N 3.34Å; K81-I83 PolarHBondContact O-N 3.18Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.26Å; I83-G87 VanDerWaalsContact O-CA 3.25Å; I83-G87 WeakPolarHBondContact O-CA 3.4Å; I83-G87 PolarHBondContact O-N 3.01Å; I83-K92 WeakPolarHBondContact O-CE 3.39Å; I83-Y95 HydrophobicContact CD1-CG 4.47Å; I83-L96 HydrophobicContact CB-CD2 4.12Å; I83-L96 HydrophobicContact CG2-CD2 3.89Å; I83-L96 HydrophobicContact CG2-CG 4.1Å; I83-L99 HydrophobicContact CD1-CD1 3.97Å; I83-V154 HydrophobicContact CD1-CG2 4.39Å; I83-V154 HydrophobicContact CG1-CG2 4.15Å; I83-I172 HydrophobicContact CD1-CD1 4.08Å; I83-I172 HydrophobicContact CD1-CG1 4.32Å; I83-I172 HydrophobicContact CG1-CD1 3.9Å; I83-I172 HydrophobicContact CG1-CG1 4.17Å; I83-I172 HydrophobicContact CG2-CD1 4.32Å; I83-L212 HydrophobicContact CG1-CD2 4.27Å
84S95.1Very high96.3Very high13 Ų1339.9 Ų39.99%0.09120%0.203CC..Hα-helixtrans-61.7-38175.6166.90000112.2A80 K81 K92A80-S84 WeakPolarHBondContact O-CB 3.48Å; A80-S84 PolarHBondContact O-N 3.28Å; K81-S84 PolarHBondContact O-N 2.67Å; S84-K92 WeakPolarHBondContact O-CE 3.41Å; S84-K92 PolarHBondContact O-NZ 2.76Å
85L92.3Very high96.4Very high83 Ų8340.1 Ų40.144%0.43520%0.203SC..Hα-helixtrans-76.7-38.3-179.6-70.7176.4000113.2K81 T82 I83 V225K81-L85 HydrophobicContact CD-CD1 4.28Å; K81-L85 HydrophobicContact CD-CG 4.17Å; K81-L85 HydrophobicContact CG-CD1 4.1Å; K81-L85 HydrophobicContact CG-CG 4.41Å; K81-L85 WeakPolarHBondContact O-CB 3.43Å; K81-L85 VanDerWaalsContact O-CG 3.31Å; K81-L85 WeakPolarHBondContact O-CG 3.31Å; K81-L85 PolarHBondContact O-N 3.28Å; T82-L85 PolarHBondContact O-N 2.8Å; I83-L85 VanDerWaalsContact C-N 3.32Å; I83-L85 PolarHBondContact O-N 3.26Å; L85-V225 HydrophobicContact CD1-CG2 4.42Å
86L94.8Very high96.5Very high53 Ų5340.1 Ų40.128%0.27720%0.203SC..Hα-helixtrans-121.2-12.3-164.8-59.6178.8000114.9T82 L212 G213 T221T82-L86 HydrophobicContact CG2-CD1 4.1Å; T82-L86 WeakPolarHBondContact O-CB 3.27Å; T82-L86 PolarHBondContact O-N 3.4Å; L86-L212 HydrophobicContact CB-CD1 3.78Å; L86-L212 HydrophobicContact CB-CG 3.95Å; L86-G213 WeakPolarHBondContact O-CA 3.34Å; L86-G213 PolarHBondContact O-N 2.97Å; L86-T221 HydrophobicContact CD1-CG2 3.13Å; L86-T221 WeakPolarHBondContact CD1-OG1 3.41Å
87G96.8Very high96.7Very high11 Ų1141.4 Ų41.411%0.11321%0.211CC..  trans-63.9146.2-177.300000111.9I83 K92I83-G87 VanDerWaalsContact O-CA 3.25Å; I83-G87 WeakPolarHBondContact O-CA 3.4Å; I83-G87 PolarHBondContact O-N 3.01Å; G87-K92 WeakPolarHBondContact O-CE 3.37Å
88T97.9Very high97.1Very high66 Ų6643 Ų4341%0.40522%0.218SC..  trans-64.8167.6163.779.20000110.2E90 Q91 K92T88-E90 VanDerWaalsContact CB-OE2 3.28Å; T88-E90 WeakPolarHBondContact CB-OE2 3.22Å; T88-E90 PolarHBondContact O-N 3.16Å; T88-E90 PolarHBondContact OG1-N 2.99Å; T88-E90 PolarHBondContact OG1-OE2 3.24Å; T88-Q91 PolarHBondContact O-N 3.01Å; T88-Q91 PolarHBondContact OG1-N 3.12Å; T88-K92 WeakPolarHBondContact O-CB 3.23Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.4Å; T88-K92 PolarHBondContact O-N 3.37Å
89K97.8Very high97.2Very high167 Ų16742.6 Ų42.673%0.72622%0.216SC*.Hα-helixtrans-56.8-39.6176.6-71-175.4176.7-1770111.6A93K89-A93 VanDerWaalsContact O-CB 3.25Å; K89-A93 WeakPolarHBondContact O-CB 3.46Å; K89-A93 PolarHBondContact O-N 3.24Å
90E98.3Very high97.2Very high136 Ų13642.9 Ų42.964%0.63622%0.218SC*.Hα-helixtrans-69.9-43.7-179.6-56.269.9-149.200111.4T88 A93 Y94T88-E90 VanDerWaalsContact CB-OE2 3.28Å; T88-E90 WeakPolarHBondContact CB-OE2 3.22Å; T88-E90 PolarHBondContact O-N 3.16Å; T88-E90 PolarHBondContact OG1-N 2.99Å; T88-E90 PolarHBondContact OG1-OE2 3.24Å; E90-A93 PolarHBondContact O-N 3.06Å; E90-Y94 WeakPolarHBondContact O-CB 3.5Å; E90-Y94 PolarHBondContact O-N 3.35Å; E90-Y94 VanDerWaalsContact O-N 3.07Å
91Q98.5Very high97.2Very high11 Ų1145.6 Ų45.65%0.05124%0.237CC..Hα-helixtrans-61.2-47.3175.2-70.9173.6-21.800110.7T88 Y94 Y95 I172 K209 L211T88-Q91 PolarHBondContact O-N 3.01Å; T88-Q91 PolarHBondContact OG1-N 3.12Å; Q91-Y94 PolarHBondContact O-N 2.9Å; Q91-Y95 HydrophobicContact CB-CD2 4.33Å; Q91-Y95 WeakPolarHBondContact O-CB 3.46Å; Q91-Y95 VanDerWaalsContact O-CD2 3.25Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.47Å; Q91-Y95 PolarHBondContact O-N 3.3Å; Q91-I172 HydrophobicContact CB-CD1 4.2Å; Q91-I172 HydrophobicContact CG-CD1 4.25Å; Q91-K209 PolarHBondContact NE2-O 3.46Å; Q91-L211 PolarHBondContact NE2-O 2.85Å
92K98.5Very high97.3Very high43 Ų4344 Ų4419%0.18724%0.236CC..Hα-helixtrans-60.7-49178.3-71.1177.6177.3-170.40112Y45 I83 S84 G87 T88 Y94 L96 P97Y45-K92 HydrophobicContact CE1-CB 3.87Å; Y45-K92 HydrophobicContact CE2-CB 4.02Å; Y45-K92 HydrophobicContact CE2-CD 4.24Å; Y45-K92 WeakPolarHBondContact OH-CB 3.19Å; I83-K92 WeakPolarHBondContact O-CE 3.39Å; S84-K92 WeakPolarHBondContact O-CE 3.41Å; S84-K92 PolarHBondContact O-NZ 2.76Å; G87-K92 WeakPolarHBondContact O-CE 3.37Å; T88-K92 WeakPolarHBondContact O-CB 3.23Å; T88-K92 VanDerWaalsContact O-CG 3.31Å; T88-K92 WeakPolarHBondContact O-CG 3.4Å; T88-K92 PolarHBondContact O-N 3.37Å; K92-Y94 PolarHBondContact O-N 3.19Å; K92-L96 HydrophobicContact CB-CD1 3.81Å; K92-L96 HydrophobicContact CB-CG 4.4Å; K92-L96 HydrophobicContact CG-CD1 3.89Å; K92-L96 VanDerWaalsContact O-CB 3.28Å; K92-L96 WeakPolarHBondContact O-CB 3.36Å; K92-L96 PolarHBondContact O-N 3.39Å; K92-P97 WeakPolarHBondContact O-CD 3.47Å
93A98.2Very high97.3Very high60 Ų6049 Ų4950%0.49626%0.26SS..Hα-helixtrans-62.2-28.3-179.900000113.3Y45 K89 E90 P97Y45-A93 HydrophobicContact CE1-CB 4.34Å; K89-A93 VanDerWaalsContact O-CB 3.25Å; K89-A93 WeakPolarHBondContact O-CB 3.46Å; K89-A93 PolarHBondContact O-N 3.24Å; E90-A93 PolarHBondContact O-N 3.06Å; A93-P97 WeakPolarHBondContact O-CD 3.44Å; A93-P97 WeakPolarHBondContact O-CG 3.48Å
94Y98.4Very high97.3Very high115 Ų11550.5 Ų50.545%0.45127%0.266SS..Hα-helixtrans-86-49.7176.9-176.7-99.5000113.1E90 Q91 K92 K98 F104E90-Y94 WeakPolarHBondContact O-CB 3.5Å; E90-Y94 PolarHBondContact O-N 3.35Å; E90-Y94 VanDerWaalsContact O-N 3.07Å; Q91-Y94 PolarHBondContact O-N 2.9Å; K92-Y94 PolarHBondContact O-N 3.19Å; Y94-K98 HydrophobicContact CE1-CD 4.3Å; Y94-K98 WeakPolarHBondContact O-CD 3.28Å; Y94-K98 WeakPolarHBondContact O-CG 3.31Å; Y94-K98 PolarHBondContact OH-NZ 2.97Å; Y94-F104 HydrophobicContact CE1-CE2 4.28Å
95Y98.5Very high97.4Very high10 Ų1050.4 Ų50.44%0.03927%0.265CS..Hα-helixtrans-85.9-39.8-169-72.9-70.7000113.6I83 Q91 K98 L99 F104 V152 I172 D174 N210I83-Y95 HydrophobicContact CD1-CG 4.47Å; Q91-Y95 HydrophobicContact CB-CD2 4.33Å; Q91-Y95 WeakPolarHBondContact O-CB 3.46Å; Q91-Y95 VanDerWaalsContact O-CD2 3.25Å; Q91-Y95 WeakPolarHBondContact O-CD2 3.47Å; Q91-Y95 PolarHBondContact O-N 3.3Å; Y95-K98 PolarHBondContact O-N 2.98Å; Y95-L99 WeakPolarHBondContact O-CG 3.4Å; Y95-L99 PolarHBondContact O-N 3.37Å; Y95-F104 HydrophobicContact CD1-CD2 4.25Å; Y95-F104 HydrophobicContact CD1-CE2 4.16Å; Y95-F104 HydrophobicContact CE1-CE2 4.17Å; Y95-V152 HydrophobicContact CD1-CG2 4.05Å; Y95-V152 HydrophobicContact CE1-CG2 3.82Å; Y95-I172 HydrophobicContact CD1-CG2 4.18Å; Y95-I172 HydrophobicContact CD2-CD1 3.75Å; Y95-I172 HydrophobicContact CD2-CG2 4.2Å; Y95-I172 HydrophobicContact CE1-CG2 3.7Å; Y95-I172 HydrophobicContact CE2-CB 4.33Å; Y95-I172 HydrophobicContact CE2-CD1 3.82Å; Y95-I172 HydrophobicContact CE2-CG2 3.74Å; Y95-I172 HydrophobicContact CG-CG2 4.41Å; Y95-I172 VanDerWaalsContact CZ-CG2 3.47Å; Y95-D174 WeakPolarHBondContact CE1-OD1 3.49Å; Y95-D174 PolarHBondContact OH-OD1 2.96Å; Y95-D174 PolarHBondContact OH-OD2 3.5Å; Y95-D174 VanDerWaalsContact OH-OD2 3.11Å; Y95-N210 PolarHBondContact OH-ND2 3.48Å
96L98.5Very high97.7Very high0 Ų046.4 Ų46.40%024%0.244CC..Hα-helixtrans-66.9-42.2-172.7-64.7178.3000113I41 Y45 A80 I83 K92 K98 L99 A100I41-L96 HydrophobicContact CG2-CB 4.03Å; Y45-L96 HydrophobicContact CD1-CB 4.47Å; Y45-L96 HydrophobicContact CD2-CB 4.26Å; Y45-L96 HydrophobicContact CD2-CD1 3.41Å; Y45-L96 VanDerWaalsContact CD2-CD1 3.41Å; Y45-L96 HydrophobicContact CD2-CG 4.48Å; Y45-L96 HydrophobicContact CE2-CD1 3.78Å; Y45-L96 HydrophobicContact CG-CB 3.87Å; Y45-L96 HydrophobicContact CG-CD1 3.87Å; A80-L96 HydrophobicContact CB-CD2 4.43Å; I83-L96 HydrophobicContact CB-CD2 4.12Å; I83-L96 HydrophobicContact CG2-CD2 3.89Å; I83-L96 HydrophobicContact CG2-CG 4.1Å; K92-L96 HydrophobicContact CB-CD1 3.81Å; K92-L96 HydrophobicContact CB-CG 4.4Å; K92-L96 HydrophobicContact CG-CD1 3.89Å; K92-L96 VanDerWaalsContact O-CB 3.28Å; K92-L96 WeakPolarHBondContact O-CB 3.36Å; K92-L96 PolarHBondContact O-N 3.39Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.03Å; L96-L99 HydrophobicContact CD2-CD1 4.38Å; L96-L99 PolarHBondContact O-N 2.85Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.13Å
97P98.3Very high97.9Very high29 Ų2943.9 Ų43.919%0.18823%0.231CC..Hα-helixtrans-60.5-37.9174.5-27.337.7000113.4Y45 K92 A93 A100 S101Y45-P97 HydrophobicContact CD1-CG 4.49Å; K92-P97 WeakPolarHBondContact O-CD 3.47Å; A93-P97 WeakPolarHBondContact O-CD 3.44Å; A93-P97 WeakPolarHBondContact O-CG 3.48Å; P97-A100 PolarHBondContact O-N 3.21Å; P97-S101 WeakPolarHBondContact O-CB 3.36Å; P97-S101 PolarHBondContact O-N 3.1Å; P97-S101 PolarHBondContact O-OG 3.28Å
98K98.4Very high97.9Very high38 Ų3844.2 Ų44.217%0.16523%0.229CC..Hα-helixtrans-70.3-34.9178.4-64.9-177.9172.4-133.40113.2Y94 Y95 L96 S101 G102 E103 F104Y94-K98 HydrophobicContact CE1-CD 4.3Å; Y94-K98 WeakPolarHBondContact O-CD 3.28Å; Y94-K98 WeakPolarHBondContact O-CG 3.31Å; Y94-K98 PolarHBondContact OH-NZ 2.97Å; Y95-K98 PolarHBondContact O-N 2.98Å; L96-K98 VanDerWaalsContact C-N 3.3Å; L96-K98 PolarHBondContact O-N 3.03Å; K98-S101 PolarHBondContact O-OG 2.97Å; K98-G102 PolarHBondContact O-N 3.47Å; K98-E103 HydrophobicContact CB-CB 4.27Å; K98-E103 WeakPolarHBondContact CE-OE1 3.3Å; K98-E103 IonicContact NZ-OE1 2.76Å; K98-E103 PolarHBondContact NZ-OE1 3.13Å; K98-E103 PolarHBondContact O-N 3Å; K98-F104 HydrophobicContact CB-CB 4.17Å; K98-F104 HydrophobicContact CB-CD2 3.93Å; K98-F104 HydrophobicContact CB-CG 3.96Å; K98-F104 HydrophobicContact CD-CD2 3.88Å; K98-F104 HydrophobicContact CD-CE1 4.28Å; K98-F104 HydrophobicContact CD-CE2 3.63Å; K98-F104 HydrophobicContact CD-CG 4.33Å; K98-F104 HydrophobicContact CD-CZ 3.85Å; K98-F104 PolarHBondContact O-N 3.28Å
99L98.2Very high97.9Very high0 Ų041.1 Ų41.10%021%0.21CC..Hα-helixtrans-69.1-43.5171.6-71164.4000110.2I41 H75 A80 I83 Y95 L96 S101 G102 F104 V152I41-L99 HydrophobicContact CD1-CB 3.93Å; H75-L99 PolarHBondContact CE1-O 3.48Å; H75-L99 VanDerWaalsContact CE1-O 3.25Å; H75-L99 PolarHBondContact NE2-O 3.43Å; H75-L99 VanDerWaalsContact NE2-O 3.12Å; A80-L99 HydrophobicContact CB-CD1 3.98Å; I83-L99 HydrophobicContact CD1-CD1 3.97Å; Y95-L99 WeakPolarHBondContact O-CG 3.4Å; Y95-L99 PolarHBondContact O-N 3.37Å; L96-L99 HydrophobicContact CD2-CD1 4.38Å; L96-L99 PolarHBondContact O-N 2.85Å; L99-S101 PolarHBondContact O-N 3.43Å; L99-G102 PolarHBondContact O-N 2.87Å; L99-F104 HydrophobicContact CD2-CB 4.16Å; L99-V152 HydrophobicContact CD2-CG1 3.95Å
100A97.6Very high97.8Very high6 Ų633.9 Ų33.95%0.0518%0.179CC..Hα-helixtrans-62.5-39.7178.500000112.8N32 A38 I41 D46 L96 P97 G102N32-A100 PolarHBondContact OD1-O 3.35Å; A38-A100 HydrophobicContact CB-CB 3.96Å; I41-A100 HydrophobicContact CD1-CB 3.79Å; I41-A100 HydrophobicContact CG2-CB 4.3Å; D46-A100 HydrophobicContact CB-CB 4.4Å; L96-A100 WeakPolarHBondContact O-CB 3.37Å; L96-A100 PolarHBondContact O-N 3.13Å; P97-A100 PolarHBondContact O-N 3.21Å; A100-G102 VanDerWaalsContact C-N 3.29Å; A100-G102 PolarHBondContact O-N 3.45Å
101S96.7Very high97.7Very high59 Ų5929 Ų2941%0.41316%0.16SC..THydrogen-bonded Turntrans-79-9.6178.470.70000114N32 P97 K98 L99 E103N32-S101 PolarHBondContact ND2-O 3.11Å; N32-S101 PolarHBondContact OD1-O 3.29Å; P97-S101 WeakPolarHBondContact O-CB 3.36Å; P97-S101 PolarHBondContact O-N 3.1Å; P97-S101 PolarHBondContact O-OG 3.28Å; K98-S101 PolarHBondContact O-OG 2.97Å; L99-S101 PolarHBondContact O-N 3.43Å; S101-E103 PolarHBondContact O-N 2.8Å; S101-E103 WeakPolarHBondContact OG-CB 3.47Å; S101-E103 PolarHBondContact OG-N 2.94Å
102G96.1Very high97.5Very high23 Ų2328.7 Ų28.724%0.23716%0.159CC..THydrogen-bonded Turntrans71.19.9-172.100000114.8K98 L99 A100 F104K98-G102 PolarHBondContact O-N 3.47Å; L99-G102 PolarHBondContact O-N 2.87Å; A100-G102 VanDerWaalsContact C-N 3.29Å; A100-G102 PolarHBondContact O-N 3.45Å; G102-F104 PolarHBondContact O-N 3.37Å
103E96.4Very high97.3Very high107 Ų10733 Ų3350%0.518%0.182SC..SBendtrans-58-41.8168.5179.7-173.1143.800110.1K98 S101K98-E103 HydrophobicContact CB-CB 4.27Å; K98-E103 WeakPolarHBondContact CE-OE1 3.3Å; K98-E103 IonicContact NZ-OE1 2.76Å; K98-E103 PolarHBondContact NZ-OE1 3.13Å; K98-E103 PolarHBondContact O-N 3Å; S101-E103 PolarHBondContact O-N 2.8Å; S101-E103 WeakPolarHBondContact OG-CB 3.47Å; S101-E103 PolarHBondContact OG-N 2.94Å
104F98Very high96.9Very high30 Ų3033.7 Ų33.713%0.13218%0.184CC..SBendtrans-110.7136.5174.1-76.4-1.3000111.3H75 Y94 Y95 K98 L99 G102 D151 V152H75-F104 PolarHBondContact CE1-O 3.25Å; Y94-F104 HydrophobicContact CE1-CE2 4.28Å; Y95-F104 HydrophobicContact CD1-CD2 4.25Å; Y95-F104 HydrophobicContact CD1-CE2 4.16Å; Y95-F104 HydrophobicContact CE1-CE2 4.17Å; K98-F104 HydrophobicContact CB-CB 4.17Å; K98-F104 HydrophobicContact CB-CD2 3.93Å; K98-F104 HydrophobicContact CB-CG 3.96Å; K98-F104 HydrophobicContact CD-CD2 3.88Å; K98-F104 HydrophobicContact CD-CE1 4.28Å; K98-F104 HydrophobicContact CD-CE2 3.63Å; K98-F104 HydrophobicContact CD-CG 4.33Å; K98-F104 HydrophobicContact CD-CZ 3.85Å; K98-F104 PolarHBondContact O-N 3.28Å; L99-F104 HydrophobicContact CD2-CB 4.16Å; G102-F104 PolarHBondContact O-N 3.37Å; F104-D151 WeakPolarHBondContact CA-OD2 3.47Å; F104-D151 HydrophobicContact CB-CB 4.07Å; F104-D151 HydrophobicContact CD1-CB 3.56Å; F104-D151 HydrophobicContact CE1-CB 4.14Å; F104-D151 HydrophobicContact CG-CB 3.88Å; F104-V152 HydrophobicContact CB-CG1 4.23Å; F104-V152 HydrophobicContact CD2-CB 4.23Å; F104-V152 HydrophobicContact CD2-CG1 4.15Å
105I97.9Very high96.3Very high11 Ų1128.8 Ų28.86%0.05617%0.166CC..  trans-101129.4165.7-56.1-55.6000110.1I28 L37 N146 V149 A150 D151 V152I28-I105 HydrophobicContact CG2-CD1 3.48Å; I28-I105 VanDerWaalsContact CG2-CD1 3.48Å; I28-I105 HydrophobicContact CG2-CG1 4.19Å; L37-I105 HydrophobicContact CD1-CD1 3.99Å; I105-N146 HydrophobicContact CG2-CB 4.06Å; I105-V149 HydrophobicContact CG2-CG2 4.29Å; I105-A150 CarbonylContact O-C 3.38Å; I105-A150 WeakPolarHBondContact O-CA 3.37Å; I105-A150 WeakPolarHBondContact O-CB 3.18Å; I105-D151 PolarHBondContact N-OD2 3.42Å; I105-D151 PolarHBondContact O-N 3.41Å; I105-V152 PolarHBondContact O-N 3.1Å
106G98.3Very high95.8Very high0 Ų030 Ų300%018%0.182CC..EExtended strand (participates in β ladder)trans-84.9135.5179.200000113.8H75 N146 V152H75-G106 PolarHBondContact ND1-N 3.2Å; G106-N146 PolarHBondContact O-ND2 3.27Å; G106-V152 WeakPolarHBondContact CA-O 3.48Å
107G98.2Very high95.2Very high0 Ų033.1 Ų33.10%020%0.199CC..EExtended strand (participates in β ladder)trans-116.5144.9166.700000112.1T79 V152 F153 V154T79-G107 PolarHBondContact OG1-N 2.99Å; T79-G107 PolarHBondContact OG1-O 3.47Å; G107-V152 PolarHBondContact N-O 3.47Å; G107-F153 CarbonylContact O-C 3.42Å; G107-F153 VanDerWaalsContact O-CA 3.27Å; G107-F153 WeakPolarHBondContact O-CA 3.22Å; G107-V154 PolarHBondContact O-N 3.38Å
108F97.7Very high94.8Very high18 Ų1836.3 Ų36.38%0.07921%0.214CC..EExtended strand (participates in β ladder)trans-115.2113.6-177.3-168.1-101.6000111.2L78 L110 V154 F156L78-F108 HydrophobicContact CB-CB 3.85Å; L78-F108 HydrophobicContact CB-CD1 4.31Å; L78-F108 HydrophobicContact CB-CD2 3.66Å; L78-F108 HydrophobicContact CB-CE2 4.2Å; L78-F108 HydrophobicContact CB-CG 3.7Å; L78-F108 HydrophobicContact CD1-CB 3.95Å; L78-F108 HydrophobicContact CD1-CD1 3.93Å; L78-F108 HydrophobicContact CD1-CG 3.98Å; L78-F108 HydrophobicContact CG-CG 4.39Å; F108-L110 HydrophobicContact CD1-CB 4.05Å; F108-L110 HydrophobicContact CE1-CB 3.73Å; F108-L110 HydrophobicContact CE1-CD2 3.92Å; F108-L110 HydrophobicContact CE1-CG 4.4Å; F108-V154 HydrophobicContact CD2-CB 4.02Å; F108-V154 HydrophobicContact CD2-CG1 4.05Å; F108-V154 HydrophobicContact CE2-CB 4.42Å; F108-V154 HydrophobicContact CE2-CG1 3.94Å; F108-F156 HydrophobicContact CD2-CE2 4.28Å; F108-F156 HydrophobicContact CE1-CE2 4.01Å; F108-F156 AromaticContact CE2-CE2 3.48Å; F108-F156 HydrophobicContact CE2-CE2 3.48Å; F108-F156 VanDerWaalsContact CE2-CE2 3.48Å; F108-F156 AromaticContact CE2-CZ 3.9Å; F108-F156 HydrophobicContact CE2-CZ 3.9Å; F108-F156 HydrophobicContact CZ-CD2 4.37Å; F108-F156 AromaticContact CZ-CE2 3.31Å; F108-F156 HydrophobicContact CZ-CE2 3.31Å; F108-F156 AromaticContact CZ-CZ 3.72Å; F108-F156 HydrophobicContact CZ-CZ 3.72Å
109C97.8Very high94.3Very high0 Ų035.4 Ų35.40%021%0.211CC..EExtended strand (participates in β ladder)trans-109.776.5-165.9-810000111.2K141 F153 V154 V155 F156C109-K141 HydrophobicContact CB-CB 4.4Å; C109-K141 HydrophobicContact CB-CG 3.95Å; C109-K141 WeakPolarHBondContact O-CE 3.42Å; C109-F153 VanDerWaalsContact SG-CD1 3.55Å; C109-V154 WeakPolarHBondContact CB-O 3.46Å; C109-V154 PolarHBondContact N-O 3.04Å; C109-V155 HydrophobicContact CB-CB 4.14Å; C109-V155 HydrophobicContact CB-CG1 4.13Å; C109-V155 HydrophobicContact CB-CG2 3.81Å; C109-F156 PolarHBondContact O-N 2.99Å; C109-F156 VanDerWaalsContact O-N 3.1Å
110L96Very high94Very high16 Ų1641.2 Ų41.28%0.08424%0.238CC..  trans-104-63.3-178.5-177.662.3000112.3F108 I119 K141 F156 A222 L226F108-L110 HydrophobicContact CD1-CB 4.05Å; F108-L110 HydrophobicContact CE1-CB 3.73Å; F108-L110 HydrophobicContact CE1-CD2 3.92Å; F108-L110 HydrophobicContact CE1-CG 4.4Å; L110-I119 HydrophobicContact CD1-CD1 4.4Å; L110-I119 HydrophobicContact CD1-CG1 4.3Å; L110-I119 HydrophobicContact CD1-CG2 3.83Å; L110-I119 HydrophobicContact CD2-CD1 3.89Å; L110-I119 HydrophobicContact CD2-CG1 4.22Å; L110-I119 HydrophobicContact CG-CG1 4.39Å; L110-K141 PolarHBondContact O-NZ 3.43Å; L110-F156 HydrophobicContact CB-CD2 4.2Å; L110-F156 HydrophobicContact CD1-CB 3.99Å; L110-F156 HydrophobicContact CD1-CD1 4.31Å; L110-F156 HydrophobicContact CD1-CD2 3.71Å; L110-F156 HydrophobicContact CD1-CE2 4.29Å; L110-F156 HydrophobicContact CD1-CG 3.72Å; L110-A222 HydrophobicContact CD1-CB 4.03Å; L110-A222 HydrophobicContact CD2-CB 4.32Å; L110-L226 HydrophobicContact CD2-CD1 4.16Å
111S94.5Very high93.7Very high33 Ų3342.7 Ų42.723%0.23125%0.25CS..  trans-71.9145.1-168.5-55.50000114.1K141 T142S111-K141 WeakPolarHBondContact O-CA 3.38Å; S111-T142 PolarHBondContact O-N 3.37Å
112E96.1Very high93.6Very high5 Ų540 Ų402%0.02323%0.231CC..  trans-127.6159.3172.2-54.2177.2-177.500108.9S114 S115 G116 T123 S124 H140 K141E112-S114 PolarHBondContact O-N 3.3Å; E112-S114 PolarHBondContact OE2-OG 3.19Å; E112-S115 WeakPolarHBondContact CB-OG 3.43Å; E112-S115 PolarHBondContact N-OG 3.2Å; E112-S115 VanDerWaalsContact N-OG 3.16Å; E112-S115 PolarHBondContact O-N 3.49Å; E112-S115 PolarHBondContact O-OG 3.2Å; E112-G116 PolarHBondContact O-N 2.8Å; E112-T123 PolarHBondContact OE1-N 3.2Å; E112-T123 WeakPolarHBondContact OE2-CA 3.07Å; E112-T123 PolarHBondContact OE2-N 3.4Å; E112-T123 PolarHBondContact OE2-OG1 3.3Å; E112-S124 WeakPolarHBondContact OE1-CB 3.31Å; E112-S124 PolarHBondContact OE1-N 3.36Å; E112-S124 PolarHBondContact OE1-OG 2.87Å; E112-S124 PolarHBondContact OE2-N 3.41Å; E112-H140 WeakPolarHBondContact CG-O 3.43Å; E112-K141 HydrophobicContact CG-CD 3.85Å; E112-K141 IonicContact OE1-NZ 2.98Å; E112-K141 PolarHBondContact OE1-NZ 3.01Å
113I93.4Very high93.6Very high132 Ų13243.1 Ų43.168%0.67725%0.246SC*.THydrogen-bonded Turntrans-58.6-34.3175.8-64.2171.5000110.8T142I113-T142 HydrophobicContact CG1-CG2 3.93Å
114S89.4Confident93.6Very high76 Ų7638.1 Ų38.153%0.53122%0.223SC..THydrogen-bonded Turntrans-75.8-28.9-179.750.40000114.4E112 T123E112-S114 PolarHBondContact O-N 3.3Å; E112-S114 PolarHBondContact OE2-OG 3.19Å; S114-T123 PolarHBondContact OG-OG1 3.18Å
115S87.3Confident93.6Very high11 Ų1139.4 Ų39.48%0.07723%0.231CC..THydrogen-bonded Turntrans-104.1-42-171.754.90000113.6E112 N117 D118E112-S115 WeakPolarHBondContact CB-OG 3.43Å; E112-S115 PolarHBondContact N-OG 3.2Å; E112-S115 VanDerWaalsContact N-OG 3.16Å; E112-S115 PolarHBondContact O-N 3.49Å; E112-S115 PolarHBondContact O-OG 3.2Å; S115-N117 PolarHBondContact O-N 3.48Å; S115-D118 VanDerWaalsContact CB-O 3.25Å; S115-D118 WeakPolarHBondContact CB-O 3.37Å; S115-D118 PolarHBondContact O-N 3.13Å
116G86.2Confident93.5Very high37 Ų3739 Ų3938%0.38123%0.228SC..THydrogen-bonded Turntrans54.6-113-173.800000112.3E112E112-G116 PolarHBondContact O-N 2.8Å
117N86.3Confident93.3Very high65 Ų6541.7 Ų41.735%0.34825%0.245SC..THydrogen-bonded Turntrans-86.9-17.1175.2-68.2-69.4000113.4S115 I119 M352 E353 S354 I357S115-N117 PolarHBondContact O-N 3.48Å; N117-I119 VanDerWaalsContact C-N 3.26Å; N117-I119 PolarHBondContact O-N 2.92Å; N117-M352 PolarHBondContact OD1-O 3.22Å; N117-E353 WeakPolarHBondContact OD1-CA 3.49Å; N117-S354 PolarHBondContact OD1-N 2.76Å; N117-I357 HydrophobicContact CB-CG1 4.4Å
118D90.4Very high93.1Very high95 Ų9543.8 Ų43.851%0.50826%0.256SS..  trans-80.776.3175.1-175.42.8000109.6S115 Q120 A121S115-D118 VanDerWaalsContact CB-O 3.25Å; S115-D118 WeakPolarHBondContact CB-O 3.37Å; S115-D118 PolarHBondContact O-N 3.13Å; D118-Q120 PolarHBondContact O-N 3.03Å; D118-Q120 VanDerWaalsContact O-N 3.1Å; D118-Q120 PolarHBondContact OD1-N 3.22Å; D118-A121 HydrophobicContact CB-CB 4.13Å; D118-A121 WeakPolarHBondContact O-CB 3.06Å; D118-A121 PolarHBondContact O-N 3.42Å; D118-A121 PolarHBondContact OD1-N 2.98Å; D118-A121 WeakPolarHBondContact OD2-CB 3.44Å
119I88.9Confident92.8Very high19 Ų1944.1 Ų44.110%0.09726%0.259CS..G310 helixtrans-54.5-32.8-178.3-61.6168.2000111L110 N117 A121 L122 I168 F219 A222 L226L110-I119 HydrophobicContact CD1-CD1 4.4Å; L110-I119 HydrophobicContact CD1-CG1 4.3Å; L110-I119 HydrophobicContact CD1-CG2 3.83Å; L110-I119 HydrophobicContact CD2-CD1 3.89Å; L110-I119 HydrophobicContact CD2-CG1 4.22Å; L110-I119 HydrophobicContact CG-CG1 4.39Å; N117-I119 VanDerWaalsContact C-N 3.26Å; N117-I119 PolarHBondContact O-N 2.92Å; I119-A121 PolarHBondContact O-N 2.94Å; I119-L122 HydrophobicContact CG2-CD2 4.17Å; I119-L122 WeakPolarHBondContact O-CB 3.33Å; I119-L122 WeakPolarHBondContact O-CD2 3.25Å; I119-L122 VanDerWaalsContact O-CG 3.29Å; I119-L122 WeakPolarHBondContact O-CG 3.47Å; I119-L122 PolarHBondContact O-N 2.98Å; I119-I168 HydrophobicContact CG2-CD1 4.18Å; I119-I168 VanDerWaalsContact O-CD1 3.28Å; I119-I168 WeakPolarHBondContact O-CD1 3.2Å; I119-F219 HydrophobicContact CB-CD2 4.13Å; I119-F219 HydrophobicContact CB-CE2 4.1Å; I119-F219 HydrophobicContact CG2-CD2 3.9Å; I119-F219 HydrophobicContact CG2-CE2 4.38Å; I119-A222 HydrophobicContact CD1-CB 4.21Å; I119-L226 HydrophobicContact CD1-CD1 4Å
120Q90.5Very high92.3Very high122 Ų12253.7 Ų53.757%0.5730%0.303SS*.G310 helixtrans-65.8-24.2179-64.3-171.637.800112.8D118 L122 R158 F219D118-Q120 PolarHBondContact O-N 3.03Å; D118-Q120 VanDerWaalsContact O-N 3.1Å; D118-Q120 PolarHBondContact OD1-N 3.22Å; Q120-L122 VanDerWaalsContact C-N 3.29Å; Q120-L122 PolarHBondContact O-N 3.3Å; Q120-R158 PolarHBondContact O-NH2 3.18Å; Q120-F219 HydrophobicContact CG-CD2 3.73Å; Q120-F219 HydrophobicContact CG-CE2 3.48Å; Q120-F219 VanDerWaalsContact CG-CE2 3.48Å; Q120-F219 HydrophobicContact CG-CG 4.45Å; Q120-F219 HydrophobicContact CG-CZ 4Å
121A92.3Very high92.1Very high38 Ų3858 Ų5831%0.31433%0.33SS..G310 helixtrans-82.83.9177.100000114.1D118 I119D118-A121 HydrophobicContact CB-CB 4.13Å; D118-A121 WeakPolarHBondContact O-CB 3.06Å; D118-A121 PolarHBondContact O-N 3.42Å; D118-A121 PolarHBondContact OD1-N 2.98Å; D118-A121 WeakPolarHBondContact OD2-CB 3.44Å; I119-A121 PolarHBondContact O-N 2.94Å
122L94.4Very high91.7Very high1 Ų160.7 Ų60.71%0.00534%0.342CS..  trans-60146.5178.274.879.4000112.2I119 Q120 F156 R158 I168I119-L122 HydrophobicContact CG2-CD2 4.17Å; I119-L122 WeakPolarHBondContact O-CB 3.33Å; I119-L122 WeakPolarHBondContact O-CD2 3.25Å; I119-L122 VanDerWaalsContact O-CG 3.29Å; I119-L122 WeakPolarHBondContact O-CG 3.47Å; I119-L122 PolarHBondContact O-N 2.98Å; Q120-L122 VanDerWaalsContact C-N 3.29Å; Q120-L122 PolarHBondContact O-N 3.3Å; L122-F156 HydrophobicContact CD2-CB 4.14Å; L122-R158 HydrophobicContact CD1-CB 4.05Å; L122-R158 PolarHBondContact O-NE 3.43Å; L122-R158 PolarHBondContact O-NH2 2.65Å; L122-I168 HydrophobicContact CD1-CG1 4.22Å; L122-I168 HydrophobicContact CD2-CD1 3.69Å; L122-I168 HydrophobicContact CD2-CG1 4.04Å; L122-I168 HydrophobicContact CD2-CG2 3.89Å; L122-I168 HydrophobicContact CG-CD1 3.82Å; L122-I168 HydrophobicContact CG-CG1 4.06Å
123T95.3Very high91.6Very high89 Ų8964.4 Ų64.455%0.54636%0.362SS..  trans-119.6-16-168.657.10000113.9E112 S114 L125E112-T123 PolarHBondContact OE1-N 3.2Å; E112-T123 WeakPolarHBondContact OE2-CA 3.07Å; E112-T123 PolarHBondContact OE2-N 3.4Å; E112-T123 PolarHBondContact OE2-OG1 3.3Å; S114-T123 PolarHBondContact OG-OG1 3.18Å; T123-L125 PolarHBondContact O-N 3.42Å
124S97.3Very high91.7Very high2 Ų259.4 Ų59.41%0.01434%0.336CS..  trans-53.7134.4171.5-60.20000109.4E112 D138 G139 K141 R158E112-S124 WeakPolarHBondContact OE1-CB 3.31Å; E112-S124 PolarHBondContact OE1-N 3.36Å; E112-S124 PolarHBondContact OE1-OG 2.87Å; E112-S124 PolarHBondContact OE2-N 3.41Å; S124-D138 CarbonylContact C-O 3.53Å; S124-D138 WeakPolarHBondContact CA-O 3.18Å; S124-G139 WeakPolarHBondContact OG-CA 3.34Å; S124-K141 VanDerWaalsContact OG-CE 3.29Å; S124-K141 WeakPolarHBondContact OG-CE 3.35Å; S124-K141 PolarHBondContact OG-NZ 2.8Å; S124-R158 VanDerWaalsContact O-CB 3.26Å; S124-R158 WeakPolarHBondContact O-CB 3.33Å; S124-R158 PolarHBondContact O-N 3.43Å
125L96.8Very high92Very high58 Ų5856.6 Ų56.630%0.30431%0.314SS..EExtended strand (participates in β ladder)trans-123.3132.7-168.1179.268.4000110.1T123 V127 L137 D138 R158 L160T123-L125 PolarHBondContact O-N 3.42Å; L125-V127 HydrophobicContact CD1-CG2 4.1Å; L125-V127 HydrophobicContact CD2-CG2 3.66Å; L125-V127 HydrophobicContact CG-CG2 3.7Å; L125-L137 WeakPolarHBondContact O-CA 3.45Å; L125-D138 PolarHBondContact N-O 3.18Å; L125-D138 PolarHBondContact O-N 3.06Å; L125-R158 CarbonylContact C-O 3.13Å; L125-R158 WeakPolarHBondContact CA-O 3.49Å; L125-L160 HydrophobicContact CD1-CD1 3.67Å; L125-L160 HydrophobicContact CD1-CG 3.68Å; L125-L160 HydrophobicContact CD2-CD1 4.28Å
126A96.5Very high92.5Very high1 Ų158.9 Ų58.91%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-120.6109.7171.500000108.8Y135 I136 L137 A157 R158 T159 F171A126-Y135 HydrophobicContact CB-CD1 4.11Å; A126-Y135 HydrophobicContact CB-CG 4.48Å; A126-I136 WeakPolarHBondContact CA-O 3.34Å; A126-L137 HydrophobicContact CB-CD1 4.24Å; A126-A157 HydrophobicContact CB-CB 4Å; A126-R158 PolarHBondContact N-O 2.85Å; A126-T159 HydrophobicContact CB-CG2 3.98Å; A126-T159 WeakPolarHBondContact O-CA 3.36Å; A126-F171 HydrophobicContact CB-CE2 3.81Å; A126-F171 HydrophobicContact CB-CZ 3.83Å
127V94.7Very high93Very high57 Ų5757.2 Ų57.235%0.34531%0.307SS..EExtended strand (participates in β ladder)trans-104129.6178.6-174.50000109.1L125 N129 Y135 I136 L160L125-V127 HydrophobicContact CD1-CG2 4.1Å; L125-V127 HydrophobicContact CD2-CG2 3.66Å; L125-V127 HydrophobicContact CG-CG2 3.7Å; V127-N129 PolarHBondContact O-N 2.99Å; V127-Y135 CarbonylContact O-C 3.55Å; V127-Y135 WeakPolarHBondContact O-CA 2.93Å; V127-I136 PolarHBondContact N-O 3.32Å; V127-I136 PolarHBondContact O-N 2.64Å; V127-L160 HydrophobicContact CG2-CD1 4.46Å
128L93Very high93.6Very high45 Ų4557.2 Ų57.224%0.23631%0.307CS..EExtended strand (participates in β ladder)trans-67.8132173.4-167.362.1000108.8D132 Y135 K208L128-D132 HydrophobicContact CD2-CB 3.97Å; L128-D132 WeakPolarHBondContact CD2-OD1 3.33Å; L128-D132 HydrophobicContact CG-CB 4.35Å; L128-D132 WeakPolarHBondContact CG-OD1 3.46Å; L128-Y135 HydrophobicContact CB-CD1 4.19Å; L128-Y135 HydrophobicContact CB-CE1 4Å; L128-Y135 HydrophobicContact CD1-CD1 4.25Å; L128-Y135 HydrophobicContact CD1-CD2 4.19Å; L128-Y135 HydrophobicContact CD1-CE1 4.07Å; L128-Y135 HydrophobicContact CD1-CE2 4Å; L128-Y135 HydrophobicContact CD1-CG 4.32Å; L128-K208 HydrophobicContact CD1-CD 4.46Å
129N91.7Very high94Very high25 Ų2553.5 Ų53.513%0.13429%0.291CS..PPolyproline II helixtrans-73.2169.917978.4-39.3000111.8V127 T131 D132 D133 H134 I136V127-N129 PolarHBondContact O-N 2.99Å; N129-T131 PolarHBondContact ND2-OG1 2.91Å; N129-T131 PolarHBondContact O-N 3.08Å; N129-T131 VanDerWaalsContact O-N 3.11Å; N129-D132 PolarHBondContact O-N 2.97Å; N129-D132 PolarHBondContact OD1-N 3.23Å; N129-D133 PolarHBondContact ND2-OD1 3.33Å; N129-D133 PolarHBondContact OD1-N 3.4Å; N129-D133 VanDerWaalsContact OD1-N 3.13Å; N129-D133 PolarHBondContact OD1-OD1 3.34Å; N129-H134 PolarHBondContact N-O 3.1Å; N129-H134 PolarHBondContact ND2-CE1 3.17Å; N129-H134 PolarHBondContact ND2-ND1 3.44Å; N129-H134 PolarHBondContact OD1-N 2.91Å; N129-H134 PolarHBondContact OD1-O 2.67Å; N129-I136 HydrophobicContact CB-CD1 4.47Å
130E88.4Confident94.4Very high201 Ų20156.2 Ų56.294%0.93930%0.303SS*.THydrogen-bonded Turntrans-59.7-26.4-173.7-62.8-177.4170.900114.7
131T90.1Very high94.8Very high105 Ų10550.4 Ų50.464%0.64428%0.276SS*.THydrogen-bonded Turntrans-94.94.9-18048.40000113.7N129 D133N129-T131 PolarHBondContact ND2-OG1 2.91Å; N129-T131 PolarHBondContact O-N 3.08Å; N129-T131 VanDerWaalsContact O-N 3.11Å; T131-D133 PolarHBondContact O-N 2.8Å; T131-D133 VanDerWaalsContact O-N 3.14Å; T131-D133 PolarHBondContact OG1-OD1 3.45Å
132D87.5Confident94.9Very high90 Ų9049.1 Ų49.148%0.48126%0.264SS..SBendtrans55.424.5179.1-70.9-14.3000115.5L128 N129 K208L128-D132 HydrophobicContact CD2-CB 3.97Å; L128-D132 WeakPolarHBondContact CD2-OD1 3.33Å; L128-D132 HydrophobicContact CG-CB 4.35Å; L128-D132 WeakPolarHBondContact CG-OD1 3.46Å; N129-D132 PolarHBondContact O-N 2.97Å; N129-D132 PolarHBondContact OD1-N 3.23Å; D132-K208 WeakPolarHBondContact O-CD 3.35Å; D132-K208 PolarHBondContact O-NZ 3.13Å
133D92.5Very high95Very high83 Ų8357 Ų5744%0.44429%0.294SS..SBendtrans-98.6-30.1-177.268-57.8000113.1N129 T131 K208N129-D133 PolarHBondContact ND2-OD1 3.33Å; N129-D133 PolarHBondContact OD1-N 3.4Å; N129-D133 VanDerWaalsContact OD1-N 3.13Å; N129-D133 PolarHBondContact OD1-OD1 3.34Å; T131-D133 PolarHBondContact O-N 2.8Å; T131-D133 VanDerWaalsContact O-N 3.14Å; T131-D133 PolarHBondContact OG1-OD1 3.45Å; D133-K208 WeakPolarHBondContact O-CB 3.45Å; D133-K208 PolarHBondContact O-N 3.4Å
134H95.8Very high95.1Very high28 Ų2852.8 Ų52.813%0.1327%0.268CS..EExtended strand (participates in β ladder)trans-147.2156178.267.1-85.7000113N129 V206N129-H134 PolarHBondContact N-O 3.1Å; N129-H134 PolarHBondContact ND2-CE1 3.17Å; N129-H134 PolarHBondContact ND2-ND1 3.44Å; N129-H134 PolarHBondContact OD1-N 2.91Å; N129-H134 PolarHBondContact OD1-O 2.67Å; H134-V206 CarbonylContact C-O 3.59Å; H134-V206 WeakPolarHBondContact CA-O 3.45Å; H134-V206 WeakPolarHBondContact CB-O 3.22Å
135Y96.3Very high95Very high16 Ų1654.5 Ų54.56%0.06328%0.279CS..EExtended strand (participates in β ladder)trans-89.7141.5169.5-67.5-92.8000110A126 V127 L128 T159 F171 K205 V206 K208 L211A126-Y135 HydrophobicContact CB-CD1 4.11Å; A126-Y135 HydrophobicContact CB-CG 4.48Å; V127-Y135 CarbonylContact O-C 3.55Å; V127-Y135 WeakPolarHBondContact O-CA 2.93Å; L128-Y135 HydrophobicContact CB-CD1 4.19Å; L128-Y135 HydrophobicContact CB-CE1 4Å; L128-Y135 HydrophobicContact CD1-CD1 4.25Å; L128-Y135 HydrophobicContact CD1-CD2 4.19Å; L128-Y135 HydrophobicContact CD1-CE1 4.07Å; L128-Y135 HydrophobicContact CD1-CE2 4Å; L128-Y135 HydrophobicContact CD1-CG 4.32Å; Y135-T159 HydrophobicContact CD1-CG2 4.45Å; Y135-T159 HydrophobicContact CE1-CG2 4.08Å; Y135-F171 HydrophobicContact CD1-CE1 4.34Å; Y135-F171 HydrophobicContact CD1-CZ 4.2Å; Y135-F171 HydrophobicContact CD2-CD1 4.5Å; Y135-F171 AromaticContact CD2-CE1 3.59Å; Y135-F171 HydrophobicContact CD2-CE1 3.59Å; Y135-F171 HydrophobicContact CD2-CZ 4.26Å; Y135-F171 HydrophobicContact CE1-CE1 4.5Å; Y135-F171 HydrophobicContact CE1-CZ 4.33Å; Y135-F171 AromaticContact CE2-CE1 3.78Å; Y135-F171 HydrophobicContact CE2-CE1 3.78Å; Y135-F171 HydrophobicContact CE2-CZ 4.39Å; Y135-F171 AromaticContact CG-CE1 3.89Å; Y135-F171 HydrophobicContact CG-CE1 3.89Å; Y135-F171 HydrophobicContact CG-CZ 4.16Å; Y135-K205 CarbonylContact O-C 3.56Å; Y135-K205 WeakPolarHBondContact O-CA 3.09Å; Y135-V206 PolarHBondContact N-O 3.27Å; Y135-V206 PolarHBondContact O-N 2.99Å; Y135-K208 HydrophobicContact CE2-CG 4.29Å; Y135-L211 HydrophobicContact CE2-CD1 4.28Å
136I97.2Very high95.1Very high60 Ų6051.8 Ų51.831%0.30826%0.264SS..EExtended strand (participates in β ladder)trans-94.9110166.2-57175.5000106.9A126 V127 N129 K203A126-I136 WeakPolarHBondContact CA-O 3.34Å; V127-I136 PolarHBondContact N-O 3.32Å; V127-I136 PolarHBondContact O-N 2.64Å; N129-I136 HydrophobicContact CB-CD1 4.47Å; I136-K203 HydrophobicContact CG2-CB 3.92Å; I136-K203 HydrophobicContact CG2-CG 4.23Å
137L98.3Very high95.1Very high1 Ų151.7 Ų51.71%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-98.3123.6-178.1173.767.2000110.8L125 A126 V155 A157 V173 F201 K203 V204 V206L125-L137 WeakPolarHBondContact O-CA 3.45Å; A126-L137 HydrophobicContact CB-CD1 4.24Å; L137-V155 HydrophobicContact CD2-CG1 4.1Å; L137-A157 HydrophobicContact CD1-CB 3.55Å; L137-V173 HydrophobicContact CD2-CG2 4.14Å; L137-F201 HydrophobicContact CD2-CB 4.1Å; L137-F201 HydrophobicContact CD2-CD1 3.64Å; L137-F201 HydrophobicContact CD2-CD2 4.43Å; L137-F201 HydrophobicContact CD2-CE1 4.19Å; L137-F201 HydrophobicContact CD2-CG 3.79Å; L137-F201 HydrophobicContact CG-CB 3.95Å; L137-F201 HydrophobicContact CG-CD1 4.42Å; L137-F201 HydrophobicContact CG-CG 4.16Å; L137-K203 CarbonylContact O-C 3.57Å; L137-K203 WeakPolarHBondContact O-CA 3.26Å; L137-K203 PolarHBondContact O-N 2.99Å; L137-V204 HydrophobicContact CB-CB 4.3Å; L137-V204 PolarHBondContact N-O 3.48Å; L137-V204 PolarHBondContact O-N 3.17Å; L137-V206 HydrophobicContact CB-CG2 3.91Å; L137-V206 HydrophobicContact CD2-CG2 4Å
138D98.2Very high95.2Very high66 Ų6650.9 Ų50.935%0.35326%0.263SS..EExtended strand (participates in β ladder)trans-124.6133.7169.4-83.6-70.8000109.7S124 L125 F201 K202 K203S124-D138 CarbonylContact C-O 3.53Å; S124-D138 WeakPolarHBondContact CA-O 3.18Å; L125-D138 PolarHBondContact N-O 3.18Å; L125-D138 PolarHBondContact O-N 3.06Å; D138-F201 WeakPolarHBondContact CA-O 3.26Å; D138-K202 WeakPolarHBondContact OD1-CA 3.49Å; D138-K203 PolarHBondContact OD1-N 3.09Å; D138-K203 VanDerWaalsContact OD2-CG 3.29Å; D138-K203 WeakPolarHBondContact OD2-CG 3.16Å
139G97.7Very high95.3Very high16 Ų1650.3 Ų50.317%0.16526%0.262CS..EExtended strand (participates in β ladder)trans176.8162.8-17900000114.4S124 F201S124-G139 WeakPolarHBondContact OG-CA 3.34Å; G139-F201 PolarHBondContact N-O 2.96Å; G139-F201 PolarHBondContact O-N 2.9Å
140H98Very high95.6Very high76 Ų7649.1 Ų49.135%0.35226%0.255SS..EExtended strand (participates in β ladder)trans-130.9107.6177.1-178.2-177.5000109E112 D198E112-H140 WeakPolarHBondContact CG-O 3.43Å; H140-D198 IonicContact CD2-OD2 2.7Å; H140-D198 IonicContact CE1-OD2 3.63Å; H140-D198 VanDerWaalsContact NE2-CG 3.34Å; H140-D198 IonicContact NE2-OD2 2.75Å; H140-D198 PolarHBondContact NE2-OD2 3.04Å
141K98.1Very high96.1Very high0 Ų042.4 Ų42.40%023%0.225CC..EExtended strand (participates in β ladder)trans-96.9144.3176.6-58.3-60-170.8-178.40109.8C109 L110 S111 E112 S124 V144 F156 D198 V199 F201C109-K141 HydrophobicContact CB-CB 4.4Å; C109-K141 HydrophobicContact CB-CG 3.95Å; C109-K141 WeakPolarHBondContact O-CE 3.42Å; L110-K141 PolarHBondContact O-NZ 3.43Å; S111-K141 WeakPolarHBondContact O-CA 3.38Å; E112-K141 HydrophobicContact CG-CD 3.85Å; E112-K141 IonicContact OE1-NZ 2.98Å; E112-K141 PolarHBondContact OE1-NZ 3.01Å; S124-K141 VanDerWaalsContact OG-CE 3.29Å; S124-K141 WeakPolarHBondContact OG-CE 3.35Å; S124-K141 PolarHBondContact OG-NZ 2.8Å; K141-V144 HydrophobicContact CB-CG2 3.71Å; K141-F156 VanDerWaalsContact CE-O 3.23Å; K141-F156 WeakPolarHBondContact CE-O 3.21Å; K141-F156 PolarHBondContact NZ-O 2.89Å; K141-D198 CarbonylContact O-C 3.55Å; K141-D198 WeakPolarHBondContact O-CA 3.27Å; K141-V199 PolarHBondContact N-O 3.18Å; K141-V199 PolarHBondContact O-N 3.35Å; K141-F201 HydrophobicContact CG-CD2 4.43Å; K141-F201 HydrophobicContact CG-CE2 3.83Å
142T96.2Very high96.5Very high12 Ų1237.4 Ų37.47%0.07420%0.195CC..EExtended strand (participates in β ladder)trans-128.4163-180-172.30000110.7S111 I113 V144 D198S111-T142 PolarHBondContact O-N 3.37Å; I113-T142 HydrophobicContact CG1-CG2 3.93Å; T142-V144 PolarHBondContact O-N 3.02Å; T142-D198 VanDerWaalsContact CA-OD1 3.27Å; T142-D198 WeakPolarHBondContact CA-OD1 3.46Å; T142-D198 WeakPolarHBondContact CB-OD1 3.27Å; T142-D198 PolarHBondContact OG1-OD1 2.75Å
143W95.1Very high97Very high165 Ų16533.1 Ų33.163%0.62517%0.172SC*.EExtended strand (participates in β ladder)trans5631-175.5-56.3100.2000113.4T145 L186 T188W143-T145 PolarHBondContact O-N 2.94Å; W143-L186 HydrophobicContact CD2-CD1 3.94Å; W143-L186 HydrophobicContact CE3-CD1 3.54Å; W143-L186 HydrophobicContact CG-CD1 4.48Å; W143-L186 HydrophobicContact CZ3-CD1 3.91Å; W143-T188 HydrophobicContact CZ3-CG2 3.89Å
144V97.2Very high97.3Very high2 Ų229.1 Ų29.11%0.01215%0.151CC..EExtended strand (participates in β ladder)trans-77.796.1-178-1740000109.3K141 T142 G147 F153 A196 T197 V199K141-V144 HydrophobicContact CB-CG2 3.71Å; T142-V144 PolarHBondContact O-N 3.02Å; V144-G147 WeakPolarHBondContact O-CA 3.46Å; V144-G147 PolarHBondContact O-N 2.95Å; V144-F153 HydrophobicContact CG1-CD1 4.49Å; V144-F153 HydrophobicContact CG1-CE1 4.32Å; V144-A196 WeakPolarHBondContact O-CA 3.36Å; V144-T197 WeakPolarHBondContact CB-O 3.48Å; V144-T197 PolarHBondContact N-O 3.07Å; V144-T197 PolarHBondContact O-N 2.91Å; V144-V199 HydrophobicContact CB-CG2 3.77Å; V144-V199 HydrophobicContact CG1-CG2 3.82Å; V144-V199 HydrophobicContact CG2-CB 4.18Å; V144-V199 HydrophobicContact CG2-CG2 3.82Å
145T96.7Very high97.5Very high38 Ų3827.8 Ų27.823%0.23315%0.145CC..THydrogen-bonded Turntrans-55.9139.2169.3-580000110.4A70 A74 W143 G147A70-T145 HydrophobicContact CB-CG2 4.13Å; A70-T145 WeakPolarHBondContact O-CG2 3.39Å; A74-T145 HydrophobicContact CB-CG2 3.56Å; W143-T145 PolarHBondContact O-N 2.94Å; T145-G147 PolarHBondContact O-N 3.35Å
146N97.5Very high97.5Very high0 Ų027 Ų270%014%0.142CC..THydrogen-bonded Turntrans633.9-168.5-57.9-21.4000115.3T71 I105 G106 A148 V149 A150 S194T71-N146 WeakPolarHBondContact CA-OD1 3.27Å; T71-N146 WeakPolarHBondContact CG2-OD1 3.48Å; T71-N146 PolarHBondContact O-ND2 3.45Å; I105-N146 HydrophobicContact CG2-CB 4.06Å; G106-N146 PolarHBondContact O-ND2 3.27Å; N146-A148 PolarHBondContact O-N 3.32Å; N146-V149 HydrophobicContact CB-CG2 4.06Å; N146-V149 CarbonylContact O-C 3.59Å; N146-V149 PolarHBondContact O-N 2.79Å; N146-A150 HydrophobicContact CB-CB 4.22Å; N146-A150 VanDerWaalsContact O-CB 3.23Å; N146-A150 WeakPolarHBondContact O-CB 3.49Å; N146-A150 PolarHBondContact O-N 3.47Å; N146-S194 PolarHBondContact N-O 3.28Å
147G97.5Very high97.5Very high0 Ų024.2 Ų24.20%013%0.127CC..THydrogen-bonded Turntrans-56.5-31-172.600000114.3V144 T145 C182 N195V144-G147 WeakPolarHBondContact O-CA 3.46Å; V144-G147 PolarHBondContact O-N 2.95Å; T145-G147 PolarHBondContact O-N 3.35Å; G147-C182 PolarHBondContact O-SG 3.39Å; G147-N195 PolarHBondContact N-O 3.05Å
148A96Very high97.4Very high40 Ų4026 Ų2633%0.33113%0.134SC..THydrogen-bonded Turntrans-76.1-19.7177.400000114.4N146 L185 N195 T197N146-A148 PolarHBondContact O-N 3.32Å; A148-L185 HydrophobicContact CB-CD2 3.53Å; A148-N195 HydrophobicContact CB-CB 4.39Å; A148-N195 PolarHBondContact N-O 3.35Å; A148-T197 HydrophobicContact CB-CG2 4.29Å
149V96Very high97.2Very high33 Ų3322.9 Ų22.920%0.212%0.117CC..THydrogen-bonded Turntrans-126.4-7.5-171.6-60.80000114I28 I105 N146 N195I28-V149 HydrophobicContact CD1-CG2 4.37Å; I105-V149 HydrophobicContact CG2-CG2 4.29Å; N146-V149 HydrophobicContact CB-CG2 4.06Å; N146-V149 CarbonylContact O-C 3.59Å; N146-V149 PolarHBondContact O-N 2.79Å; V149-N195 HydrophobicContact CG1-CB 4.38Å; V149-N195 HydrophobicContact CG2-CB 4.06Å
150A97.9Very high96.5Very high0 Ų025.8 Ų25.80%013%0.128CC..  trans-70.6134.1-177.100000111.3I105 N146 F153 R175I105-A150 CarbonylContact O-C 3.38Å; I105-A150 WeakPolarHBondContact O-CA 3.37Å; I105-A150 WeakPolarHBondContact O-CB 3.18Å; N146-A150 HydrophobicContact CB-CB 4.22Å; N146-A150 VanDerWaalsContact O-CB 3.23Å; N146-A150 WeakPolarHBondContact O-CB 3.49Å; N146-A150 PolarHBondContact O-N 3.47Å; A150-F153 HydrophobicContact CB-CD1 4.23Å; A150-F153 HydrophobicContact CB-CE1 3.61Å; A150-F153 HydrophobicContact CB-CZ 3.84Å; A150-R175 WeakPolarHBondContact O-CD 3.38Å
151D98.4Very high95Very high59 Ų5924.1 Ų24.132%0.31613%0.125SC..SBendtrans-91.1-20.9175.8-54.2-77.4000111.7F104 I105 R175F104-D151 WeakPolarHBondContact CA-OD2 3.47Å; F104-D151 HydrophobicContact CB-CB 4.07Å; F104-D151 HydrophobicContact CD1-CB 3.56Å; F104-D151 HydrophobicContact CE1-CB 4.14Å; F104-D151 HydrophobicContact CG-CB 3.88Å; I105-D151 PolarHBondContact N-OD2 3.42Å; I105-D151 PolarHBondContact O-N 3.41Å; D151-R175 VanDerWaalsContact O-CB 3.26Å; D151-R175 WeakPolarHBondContact O-CB 3.35Å; D151-R175 PolarHBondContact O-N 3.42Å
152V98.7Very high93.3Very high0 Ų029.9 Ų29.90%017%0.165CC..EExtended strand (participates in β ladder)trans-140.9139.9179.665.10000110.7T79 Y95 L99 F104 I105 G106 G107 I172T79-V152 HydrophobicContact CG2-CG1 4.46Å; Y95-V152 HydrophobicContact CD1-CG2 4.05Å; Y95-V152 HydrophobicContact CE1-CG2 3.82Å; L99-V152 HydrophobicContact CD2-CG1 3.95Å; F104-V152 HydrophobicContact CB-CG1 4.23Å; F104-V152 HydrophobicContact CD2-CB 4.23Å; F104-V152 HydrophobicContact CD2-CG1 4.15Å; I105-V152 PolarHBondContact O-N 3.1Å; G106-V152 WeakPolarHBondContact CA-O 3.48Å; G107-V152 PolarHBondContact N-O 3.47Å; V152-I172 HydrophobicContact CG2-CG2 3.36Å
153F98.7Very high91.7Very high0 Ų035.3 Ų35.30%019%0.194CC..EExtended strand (participates in β ladder)trans-115.2139.8177.7-59.7-79.3000111.5G107 C109 V144 A150 V155 I172 V173 R175 I180 V199G107-F153 CarbonylContact O-C 3.42Å; G107-F153 VanDerWaalsContact O-CA 3.27Å; G107-F153 WeakPolarHBondContact O-CA 3.22Å; C109-F153 VanDerWaalsContact SG-CD1 3.55Å; V144-F153 HydrophobicContact CG1-CD1 4.49Å; V144-F153 HydrophobicContact CG1-CE1 4.32Å; A150-F153 HydrophobicContact CB-CD1 4.23Å; A150-F153 HydrophobicContact CB-CE1 3.61Å; A150-F153 HydrophobicContact CB-CZ 3.84Å; F153-V155 HydrophobicContact CB-CG2 3.63Å; F153-I172 CarbonylContact O-C 3.56Å; F153-I172 WeakPolarHBondContact O-CA 3.42Å; F153-V173 HydrophobicContact CB-CB 4.4Å; F153-V173 PolarHBondContact N-O 2.86Å; F153-V173 PolarHBondContact O-N 3.15Å; F153-R175 HydrophobicContact CE2-CB 4.03Å; F153-R175 HydrophobicContact CE2-CG 4.32Å; F153-I180 HydrophobicContact CE2-CG2 4.33Å; F153-V199 HydrophobicContact CE1-CG1 4.46Å; F153-V199 HydrophobicContact CE1-CG2 4.07Å; F153-V199 HydrophobicContact CZ-CG1 4.32Å; F153-V199 HydrophobicContact CZ-CG2 4.36Å
154V98.5Very high89.9Confident0 Ų034 Ų340%020%0.2CC..EExtended strand (participates in β ladder)trans-92113156.4169.50000107.6T79 T82 I83 G107 F108 C109 F156 F171 L212T79-V154 HydrophobicContact CG2-CG2 3.78Å; T82-V154 HydrophobicContact CG2-CG1 4.08Å; I83-V154 HydrophobicContact CD1-CG2 4.39Å; I83-V154 HydrophobicContact CG1-CG2 4.15Å; G107-V154 PolarHBondContact O-N 3.38Å; F108-V154 HydrophobicContact CD2-CB 4.02Å; F108-V154 HydrophobicContact CD2-CG1 4.05Å; F108-V154 HydrophobicContact CE2-CB 4.42Å; F108-V154 HydrophobicContact CE2-CG1 3.94Å; C109-V154 WeakPolarHBondContact CB-O 3.46Å; C109-V154 PolarHBondContact N-O 3.04Å; V154-F156 HydrophobicContact CG1-CE2 3.73Å; V154-F156 HydrophobicContact CG1-CZ 4.08Å; V154-F171 CarbonylContact C-O 3.52Å; V154-F171 WeakPolarHBondContact CA-O 3.31Å; V154-L212 HydrophobicContact CG1-CD2 4.28Å; V154-L212 HydrophobicContact CG2-CD2 4.15Å
155V98.6Very high88.2Confident0 Ų037.5 Ų37.50%022%0.218CC..EExtended strand (participates in β ladder)trans-113.3131.1-174-171.80000110.7C109 L137 F153 A170 F171 V173 F201C109-V155 HydrophobicContact CB-CB 4.14Å; C109-V155 HydrophobicContact CB-CG1 4.13Å; C109-V155 HydrophobicContact CB-CG2 3.81Å; L137-V155 HydrophobicContact CD2-CG1 4.1Å; F153-V155 HydrophobicContact CB-CG2 3.63Å; V155-A170 CarbonylContact O-C 3.3Å; V155-A170 WeakPolarHBondContact O-CA 3.3Å; V155-F171 PolarHBondContact N-O 2.85Å; V155-F171 PolarHBondContact O-N 2.67Å; V155-V173 HydrophobicContact CB-CG2 4Å; V155-V173 HydrophobicContact CG2-CB 3.88Å; V155-V173 HydrophobicContact CG2-CG2 3.55Å; V155-F201 HydrophobicContact CB-CZ 4.5Å; V155-F201 HydrophobicContact CG1-CE2 4.05Å; V155-F201 HydrophobicContact CG1-CZ 4.13Å; V155-F201 HydrophobicContact CG2-CE1 3.91Å; V155-F201 HydrophobicContact CG2-CE2 4.25Å; V155-F201 HydrophobicContact CG2-CZ 3.51Å
156F97.7Very high87.2Confident0 Ų040.2 Ų40.20%023%0.231CC..EExtended strand (participates in β ladder)trans-100.5122.9172.9-64-96.9000109.9F108 C109 L110 L122 K141 V154 I168 T169 A170 G218 T221 A222F108-F156 HydrophobicContact CD2-CE2 4.28Å; F108-F156 HydrophobicContact CE1-CE2 4.01Å; F108-F156 AromaticContact CE2-CE2 3.48Å; F108-F156 HydrophobicContact CE2-CE2 3.48Å; F108-F156 VanDerWaalsContact CE2-CE2 3.48Å; F108-F156 AromaticContact CE2-CZ 3.9Å; F108-F156 HydrophobicContact CE2-CZ 3.9Å; F108-F156 HydrophobicContact CZ-CD2 4.37Å; F108-F156 AromaticContact CZ-CE2 3.31Å; F108-F156 HydrophobicContact CZ-CE2 3.31Å; F108-F156 AromaticContact CZ-CZ 3.72Å; F108-F156 HydrophobicContact CZ-CZ 3.72Å; C109-F156 PolarHBondContact O-N 2.99Å; C109-F156 VanDerWaalsContact O-N 3.1Å; L110-F156 HydrophobicContact CB-CD2 4.2Å; L110-F156 HydrophobicContact CD1-CB 3.99Å; L110-F156 HydrophobicContact CD1-CD1 4.31Å; L110-F156 HydrophobicContact CD1-CD2 3.71Å; L110-F156 HydrophobicContact CD1-CE2 4.29Å; L110-F156 HydrophobicContact CD1-CG 3.72Å; L122-F156 HydrophobicContact CD2-CB 4.14Å; K141-F156 VanDerWaalsContact CE-O 3.23Å; K141-F156 WeakPolarHBondContact CE-O 3.21Å; K141-F156 PolarHBondContact NZ-O 2.89Å; V154-F156 HydrophobicContact CG1-CE2 3.73Å; V154-F156 HydrophobicContact CG1-CZ 4.08Å; F156-I168 HydrophobicContact CB-CG2 4.19Å; F156-I168 HydrophobicContact CD1-CG2 4.24Å; F156-T169 WeakPolarHBondContact CA-O 3.32Å; F156-A170 HydrophobicContact CD1-CB 4.07Å; F156-A170 HydrophobicContact CE1-CB 3.82Å; F156-A170 HydrophobicContact CZ-CB 4.33Å; F156-G218 WeakPolarHBondContact CD1-O 3.25Å; F156-G218 VanDerWaalsContact CE1-O 3.23Å; F156-G218 WeakPolarHBondContact CE1-O 3.38Å; F156-T221 HydrophobicContact CE1-CG2 3.88Å; F156-T221 HydrophobicContact CZ-CG2 4.04Å; F156-A222 HydrophobicContact CD1-CB 4.34Å; F156-A222 HydrophobicContact CE1-CB 3.86Å; F156-A222 HydrophobicContact CZ-CB 4.12Å
157A97.4Very high86.9Confident0 Ų043.2 Ų43.20%025%0.245CC..EExtended strand (participates in β ladder)trans-138.6150.4178.600000110.4A126 L137 T169 F171A126-A157 HydrophobicContact CB-CB 4Å; L137-A157 HydrophobicContact CD1-CB 3.55Å; A157-T169 PolarHBondContact N-O 2.77Å; A157-T169 PolarHBondContact O-N 2.71Å; A157-F171 HydrophobicContact CB-CD2 4.48Å; A157-F171 HydrophobicContact CB-CE2 4.24Å
158R95.7Very high86.8Confident39 Ų3943.7 Ų43.715%0.14725%0.248CC..EExtended strand (participates in β ladder)trans-69.4130.4171.2-176.3169.9-69-57.6-4.8109Q120 L122 S124 L125 A126 N166 E167Q120-R158 PolarHBondContact O-NH2 3.18Å; L122-R158 HydrophobicContact CD1-CB 4.05Å; L122-R158 PolarHBondContact O-NE 3.43Å; L122-R158 PolarHBondContact O-NH2 2.65Å; S124-R158 VanDerWaalsContact O-CB 3.26Å; S124-R158 WeakPolarHBondContact O-CB 3.33Å; S124-R158 PolarHBondContact O-N 3.43Å; L125-R158 CarbonylContact C-O 3.13Å; L125-R158 WeakPolarHBondContact CA-O 3.49Å; A126-R158 PolarHBondContact N-O 2.85Å; R158-N166 WeakPolarHBondContact CD-OD1 3.16Å; R158-N166 WeakPolarHBondContact CG-OD1 3.49Å; R158-N166 PolarHBondContact NE-OD1 2.88Å; R158-N166 PolarHBondContact NH1-ND2 2.82Å; R158-N166 PolarHBondContact NH1-O 3.47Å; R158-N166 VanDerWaalsContact NH1-O 3.1Å; R158-N166 PolarHBondContact NH1-OD1 3.35Å; R158-E167 CarbonylContact C-O 3.58Å; R158-E167 VanDerWaalsContact CA-O 3.28Å; R158-E167 WeakPolarHBondContact CA-O 3.5Å
159T93.7Very high86.8Confident1 Ų141.8 Ų41.81%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-107.9132.1175.644.40000109.7A126 Y135 E167 T169 F171 H215A126-T159 HydrophobicContact CB-CG2 3.98Å; A126-T159 WeakPolarHBondContact O-CA 3.36Å; Y135-T159 HydrophobicContact CD1-CG2 4.45Å; Y135-T159 HydrophobicContact CE1-CG2 4.08Å; T159-E167 PolarHBondContact N-O 2.95Å; T159-E167 PolarHBondContact OG1-O 3.31Å; T159-T169 HydrophobicContact CG2-CG2 4.32Å; T159-T169 PolarHBondContact OG1-OG1 2.86Å; T159-F171 HydrophobicContact CG2-CE2 4.02Å; T159-F171 HydrophobicContact CG2-CZ 3.66Å; T159-H215 WeakPolarHBondContact CB-NE2 3.11Å; T159-H215 PolarHBondContact OG1-CE1 3.04Å; T159-H215 PolarHBondContact OG1-NE2 2.96Å
160L82.7Confident86.9Confident77 Ų7740.3 Ų40.340%0.40322%0.223SC..EExtended strand (participates in β ladder)trans-96.2108.7169.8-68172.1000107.7L125 V127L125-L160 HydrophobicContact CD1-CD1 3.67Å; L125-L160 HydrophobicContact CD1-CG 3.68Å; L125-L160 HydrophobicContact CD2-CD1 4.28Å; V127-L160 HydrophobicContact CG2-CD1 4.46Å
161S66.6Low86.9Confident41 Ų4140.3 Ų40.329%0.28722%0.223SC..  trans-86.6159.5169.6-1780000110.6N163 N164S161-N163 PolarHBondContact O-N 3.42Å; S161-N163 VanDerWaalsContact O-N 3.09Å; S161-N164 PolarHBondContact O-N 2.85Å
162S62.2Low86.9Confident120 Ų12037.5 Ų37.584%0.83921%0.208SC*.THydrogen-bonded Turntrans-54.8-25.1172.251.60000113.4N164S162-N164 PolarHBondContact O-N 3.48Å
163N62.4Low86.9Confident127 Ų12737.5 Ų37.568%0.67921%0.208SC*.THydrogen-bonded Turntrans-82.48.7174.8-67.3-15.4000114S161 N165S161-N163 PolarHBondContact O-N 3.42Å; S161-N163 VanDerWaalsContact O-N 3.09Å; N163-N165 PolarHBondContact O-N 2.98Å
164N56.9Low86.9Confident138 Ų13838.9 Ų38.974%0.73822%0.215SC*.  trans60.719-177.6-115.79.8000114.6S161 S162 N166S161-N164 PolarHBondContact O-N 2.85Å; S162-N164 PolarHBondContact O-N 3.48Å; N164-N166 PolarHBondContact O-N 3.32Å; N164-N166 VanDerWaalsContact O-N 3.14Å
165N62.2Low86.9Confident74 Ų7442.6 Ų42.640%0.39623%0.229SC..  trans-69.1112.2174.1-82.723.2000109.1N163 E167N163-N165 PolarHBondContact O-N 2.98Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 HydrophobicContact CB-CG 4.05Å; N165-E167 PolarHBondContact ND2-OE1 2.97Å; N165-E167 PolarHBondContact O-N 2.9Å
166N76.3Confident86.8Confident96 Ų9647.7 Ų47.751%0.51327%0.265SS..EExtended strand (participates in β ladder)trans-90.467.1-178.9-170.616.7000110.7R158 N164R158-N166 WeakPolarHBondContact CD-OD1 3.16Å; R158-N166 WeakPolarHBondContact CG-OD1 3.49Å; R158-N166 PolarHBondContact NE-OD1 2.88Å; R158-N166 PolarHBondContact NH1-ND2 2.82Å; R158-N166 PolarHBondContact NH1-O 3.47Å; R158-N166 VanDerWaalsContact NH1-O 3.1Å; R158-N166 PolarHBondContact NH1-OD1 3.35Å; N164-N166 PolarHBondContact O-N 3.32Å; N164-N166 VanDerWaalsContact O-N 3.14Å
167E90.7Very high86.9Confident63 Ų6349.7 Ų49.729%0.29428%0.275SS..EExtended strand (participates in β ladder)trans-104.7161.7-170.7-61.2168.7173.900111.9R158 T159 N165 H215 G216R158-E167 CarbonylContact C-O 3.58Å; R158-E167 VanDerWaalsContact CA-O 3.28Å; R158-E167 WeakPolarHBondContact CA-O 3.5Å; T159-E167 PolarHBondContact N-O 2.95Å; T159-E167 PolarHBondContact OG1-O 3.31Å; N165-E167 VanDerWaalsContact C-N 3.34Å; N165-E167 HydrophobicContact CB-CG 4.05Å; N165-E167 PolarHBondContact ND2-OE1 2.97Å; N165-E167 PolarHBondContact O-N 2.9Å; E167-H215 IonicContact OE2-CE1 2.77Å; E167-H215 PolarHBondContact OE2-CE1 2.79Å; E167-H215 IonicContact OE2-ND1 2.78Å; E167-H215 PolarHBondContact OE2-ND1 3.07Å; E167-G216 VanDerWaalsContact OE2-CA 3.28Å; E167-G216 WeakPolarHBondContact OE2-CA 3.43Å
168I95.1Very high86.9Confident10 Ų1056.8 Ų56.85%0.05131%0.313CS..EExtended strand (participates in β ladder)trans-96.8129.8174.8-64.4169.8000108.4I119 L122 F156 G216 G218 F219I119-I168 HydrophobicContact CG2-CD1 4.18Å; I119-I168 VanDerWaalsContact O-CD1 3.28Å; I119-I168 WeakPolarHBondContact O-CD1 3.2Å; L122-I168 HydrophobicContact CD1-CG1 4.22Å; L122-I168 HydrophobicContact CD2-CD1 3.69Å; L122-I168 HydrophobicContact CD2-CG1 4.04Å; L122-I168 HydrophobicContact CD2-CG2 3.89Å; L122-I168 HydrophobicContact CG-CD1 3.82Å; L122-I168 HydrophobicContact CG-CG1 4.06Å; F156-I168 HydrophobicContact CB-CG2 4.19Å; F156-I168 HydrophobicContact CD1-CG2 4.24Å; I168-G216 CarbonylContact O-C 3.59Å; I168-G216 VanDerWaalsContact O-CA 3.25Å; I168-G216 WeakPolarHBondContact O-CA 3.44Å; I168-G218 WeakPolarHBondContact O-CA 3.38Å; I168-G218 PolarHBondContact O-N 3.42Å; I168-F219 HydrophobicContact CD1-CB 4.39Å
169T96.4Very high87Confident0 Ų056.2 Ų56.20%032%0.32CS..EExtended strand (participates in β ladder)trans-122.3146.4177.9-60.90000110F156 A157 T159 F171 L211 G216F156-T169 WeakPolarHBondContact CA-O 3.32Å; A157-T169 PolarHBondContact N-O 2.77Å; A157-T169 PolarHBondContact O-N 2.71Å; T159-T169 HydrophobicContact CG2-CG2 4.32Å; T159-T169 PolarHBondContact OG1-OG1 2.86Å; T169-F171 HydrophobicContact CG2-CD2 4.47Å; T169-F171 HydrophobicContact CG2-CE1 4.19Å; T169-F171 HydrophobicContact CG2-CE2 3.8Å; T169-F171 HydrophobicContact CG2-CZ 3.65Å; T169-L211 HydrophobicContact CG2-CD1 3.85Å; T169-L211 HydrophobicContact CG2-CD2 4.49Å; T169-L211 HydrophobicContact CG2-CG 3.82Å; T169-G216 PolarHBondContact OG1-N 3.28Å
170A97.8Very high87.3Confident1 Ų157.3 Ų57.31%0.00833%0.325CS..EExtended strand (participates in β ladder)trans-98144.3175.300000110.9V155 F156 L212V155-A170 CarbonylContact O-C 3.3Å; V155-A170 WeakPolarHBondContact O-CA 3.3Å; F156-A170 HydrophobicContact CD1-CB 4.07Å; F156-A170 HydrophobicContact CE1-CB 3.82Å; F156-A170 HydrophobicContact CZ-CB 4.33Å; A170-L212 HydrophobicContact CB-CB 4.15Å; A170-L212 PolarHBondContact O-N 3.34Å
171F98.5Very high88Confident1 Ų157.8 Ų57.80%0.00433%0.325CS..EExtended strand (participates in β ladder)trans-134.7147-180-60.9-87.4000110.8A126 Y135 V154 V155 A157 T159 T169 V173 V206 N210 L211A126-F171 HydrophobicContact CB-CE2 3.81Å; A126-F171 HydrophobicContact CB-CZ 3.83Å; Y135-F171 HydrophobicContact CD1-CE1 4.34Å; Y135-F171 HydrophobicContact CD1-CZ 4.2Å; Y135-F171 HydrophobicContact CD2-CD1 4.5Å; Y135-F171 AromaticContact CD2-CE1 3.59Å; Y135-F171 HydrophobicContact CD2-CE1 3.59Å; Y135-F171 HydrophobicContact CD2-CZ 4.26Å; Y135-F171 HydrophobicContact CE1-CE1 4.5Å; Y135-F171 HydrophobicContact CE1-CZ 4.33Å; Y135-F171 AromaticContact CE2-CE1 3.78Å; Y135-F171 HydrophobicContact CE2-CE1 3.78Å; Y135-F171 HydrophobicContact CE2-CZ 4.39Å; Y135-F171 AromaticContact CG-CE1 3.89Å; Y135-F171 HydrophobicContact CG-CE1 3.89Å; Y135-F171 HydrophobicContact CG-CZ 4.16Å; V154-F171 CarbonylContact C-O 3.52Å; V154-F171 WeakPolarHBondContact CA-O 3.31Å; V155-F171 PolarHBondContact N-O 2.85Å; V155-F171 PolarHBondContact O-N 2.67Å; A157-F171 HydrophobicContact CB-CD2 4.48Å; A157-F171 HydrophobicContact CB-CE2 4.24Å; T159-F171 HydrophobicContact CG2-CE2 4.02Å; T159-F171 HydrophobicContact CG2-CZ 3.66Å; T169-F171 HydrophobicContact CG2-CD2 4.47Å; T169-F171 HydrophobicContact CG2-CE1 4.19Å; T169-F171 HydrophobicContact CG2-CE2 3.8Å; T169-F171 HydrophobicContact CG2-CZ 3.65Å; F171-V173 HydrophobicContact CB-CG2 4.01Å; F171-V206 HydrophobicContact CB-CG1 4.31Å; F171-V206 HydrophobicContact CD1-CG1 4.09Å; F171-V206 HydrophobicContact CG-CG1 4.49Å; F171-N210 WeakPolarHBondContact CA-O 3.45Å; F171-L211 HydrophobicContact CD1-CB 4.37Å; F171-L211 HydrophobicContact CE1-CB 4.28Å; F171-L211 HydrophobicContact CE1-CG 4.41Å
172I98.7Very high89.4Confident0 Ų057.7 Ų57.70%032%0.324CS..EExtended strand (participates in β ladder)trans-91.6118.8163.5-53.9173000107.8I83 Q91 Y95 V152 F153 N210 L212I83-I172 HydrophobicContact CD1-CD1 4.08Å; I83-I172 HydrophobicContact CD1-CG1 4.32Å; I83-I172 HydrophobicContact CG1-CD1 3.9Å; I83-I172 HydrophobicContact CG1-CG1 4.17Å; I83-I172 HydrophobicContact CG2-CD1 4.32Å; Q91-I172 HydrophobicContact CB-CD1 4.2Å; Q91-I172 HydrophobicContact CG-CD1 4.25Å; Y95-I172 HydrophobicContact CD1-CG2 4.18Å; Y95-I172 HydrophobicContact CD2-CD1 3.75Å; Y95-I172 HydrophobicContact CD2-CG2 4.2Å; Y95-I172 HydrophobicContact CE1-CG2 3.7Å; Y95-I172 HydrophobicContact CE2-CB 4.33Å; Y95-I172 HydrophobicContact CE2-CD1 3.82Å; Y95-I172 HydrophobicContact CE2-CG2 3.74Å; Y95-I172 HydrophobicContact CG-CG2 4.41Å; Y95-I172 VanDerWaalsContact CZ-CG2 3.47Å; V152-I172 HydrophobicContact CG2-CG2 3.36Å; F153-I172 CarbonylContact O-C 3.56Å; F153-I172 WeakPolarHBondContact O-CA 3.42Å; I172-N210 PolarHBondContact N-O 2.94Å; I172-N210 VanDerWaalsContact O-CB 3.25Å; I172-N210 WeakPolarHBondContact O-CB 3.5Å; I172-N210 PolarHBondContact O-ND2 2.89Å; I172-L212 HydrophobicContact CD1-CD1 4.16Å; I172-L212 HydrophobicContact CG1-CB 4.24Å; I172-L212 HydrophobicContact CG1-CD1 4.37Å; I172-L212 HydrophobicContact CG1-CD2 4.04Å; I172-L212 HydrophobicContact CG1-CG 4.46Å
173V98.7Very high91Very high0 Ų053.2 Ų53.20%030%0.297CS..EExtended strand (participates in β ladder)trans-119.2113.1-176.1-175.60000109.1L137 F153 V155 F171 L177 I180 F201 V204 V206L137-V173 HydrophobicContact CD2-CG2 4.14Å; F153-V173 HydrophobicContact CB-CB 4.4Å; F153-V173 PolarHBondContact N-O 2.86Å; F153-V173 PolarHBondContact O-N 3.15Å; V155-V173 HydrophobicContact CB-CG2 4Å; V155-V173 HydrophobicContact CG2-CB 3.88Å; V155-V173 HydrophobicContact CG2-CG2 3.55Å; F171-V173 HydrophobicContact CB-CG2 4.01Å; V173-L177 HydrophobicContact CG1-CD1 4.05Å; V173-I180 HydrophobicContact CG1-CD1 3.7Å; V173-F201 HydrophobicContact CG1-CD1 4.44Å; V173-F201 HydrophobicContact CG1-CE1 4.01Å; V173-V204 HydrophobicContact CG1-CG1 4.29Å; V173-V206 HydrophobicContact CG1-CG2 4.32Å; V173-V206 HydrophobicContact CG2-CG1 4.25Å; V173-V206 HydrophobicContact CG2-CG2 3.96Å
174D98.4Very high92.6Very high28 Ų2852.7 Ų52.715%0.1530%0.3CS..EExtended strand (participates in β ladder)trans-70.9133.4176.4-57.2-51.8000109.7Y95 S176 L177 I180Y95-D174 WeakPolarHBondContact CE1-OD1 3.49Å; Y95-D174 PolarHBondContact OH-OD1 2.96Å; Y95-D174 PolarHBondContact OH-OD2 3.5Å; Y95-D174 VanDerWaalsContact OH-OD2 3.11Å; D174-S176 PolarHBondContact O-N 3.49Å; D174-S176 VanDerWaalsContact O-N 3.13Å; D174-L177 HydrophobicContact CB-CG 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.45Å; D174-L177 WeakPolarHBondContact O-CG 3.3Å; D174-L177 PolarHBondContact O-N 3.41Å; D174-L177 VanDerWaalsContact O-N 3.12Å; D174-I180 VanDerWaalsContact O-CD1 3.27Å; D174-I180 WeakPolarHBondContact O-CD1 3.3Å
175R98.1Very high94.4Very high79 Ų7949.8 Ų49.830%0.29828%0.284SS..THydrogen-bonded Turntrans-61.4-23179.8179.2160.1-174.887.2-3.9113.3A150 D151 F153 L177 C182A150-R175 WeakPolarHBondContact O-CD 3.38Å; D151-R175 VanDerWaalsContact O-CB 3.26Å; D151-R175 WeakPolarHBondContact O-CB 3.35Å; D151-R175 PolarHBondContact O-N 3.42Å; F153-R175 HydrophobicContact CE2-CB 4.03Å; F153-R175 HydrophobicContact CE2-CG 4.32Å; R175-L177 PolarHBondContact O-N 2.78Å; R175-C182 VanDerWaalsContact CZ-SG 3.59Å; R175-C182 PolarHBondContact NH1-SG 3.45Å; R175-C182 PolarHBondContact NH2-SG 3.19Å
176S97.5Very high95.9Very high106 Ų10648.5 Ų48.574%0.74128%0.277SS*.THydrogen-bonded Turntrans-71.9-9.3178.556.40000114.1D174D174-S176 PolarHBondContact O-N 3.49Å; D174-S176 VanDerWaalsContact O-N 3.13Å
177L98.2Very high96.7Very high42 Ų4249.9 Ų49.922%0.2229%0.285CS..SBendtrans-70.1137.2174.7-63.4175000110.9V173 D174 R175 I180 V204V173-L177 HydrophobicContact CG1-CD1 4.05Å; D174-L177 HydrophobicContact CB-CG 4.36Å; D174-L177 WeakPolarHBondContact O-CB 3.45Å; D174-L177 WeakPolarHBondContact O-CG 3.3Å; D174-L177 PolarHBondContact O-N 3.41Å; D174-L177 VanDerWaalsContact O-N 3.12Å; R175-L177 PolarHBondContact O-N 2.78Å; L177-I180 HydrophobicContact CB-CD1 4.11Å; L177-V204 HydrophobicContact CB-CG1 3.82Å; L177-V204 HydrophobicContact CD1-CG1 4.08Å
178D98.2Very high96.8Very high149 Ų14947.6 Ų47.680%0.79728%0.275SS*.THydrogen-bonded Turntrans-62.2144.1177.6-65.7-37.1000111.8
179G98.2Very high96.8Very high28 Ų2852.2 Ų52.229%0.28930%0.295SS..THydrogen-bonded Turntrans92.85176.900000115.1K202 V204G179-K202 PolarHBondContact O-N 3.03Å; G179-V204 WeakPolarHBondContact O-CG2 3.31Å
180I98.6Very high96.7Very high24 Ų2452.2 Ų52.212%0.12330%0.295CS..EExtended strand (participates in β ladder)trans-91.3120172.9-57.3172.3000109.6F153 V173 D174 L177 V199 I200 F201 V204F153-I180 HydrophobicContact CE2-CG2 4.33Å; V173-I180 HydrophobicContact CG1-CD1 3.7Å; D174-I180 VanDerWaalsContact O-CD1 3.27Å; D174-I180 WeakPolarHBondContact O-CD1 3.3Å; L177-I180 HydrophobicContact CB-CD1 4.11Å; I180-V199 HydrophobicContact CG2-CG1 4.05Å; I180-I200 WeakPolarHBondContact CA-O 3.49Å; I180-F201 HydrophobicContact CD1-CE1 4.35Å; I180-F201 HydrophobicContact CG1-CD1 3.98Å; I180-F201 HydrophobicContact CG1-CE1 4.19Å; I180-F201 HydrophobicContact CG2-CE1 4.45Å; I180-V204 HydrophobicContact CD1-CG1 4.3Å; I180-V204 HydrophobicContact CG1-CG1 4.11Å; I180-V204 HydrophobicContact CG1-CG2 3.79Å
181E97.7Very high96.6Very high87 Ų8752.4 Ų52.441%0.40730%0.296SS..EExtended strand (participates in β ladder)trans-121146.9176.3-68.1175.2-162.800110.4V199 I200 K202E181-V199 WeakPolarHBondContact O-CA 3.41Å; E181-I200 HydrophobicContact CB-CB 4.34Å; E181-I200 PolarHBondContact N-O 3.35Å; E181-I200 PolarHBondContact O-N 3.14Å; E181-K202 WeakPolarHBondContact OE1-CE 3.37Å; E181-K202 IonicContact OE1-NZ 3.7Å; E181-K202 PolarHBondContact OE1-NZ 3.34Å; E181-K202 VanDerWaalsContact OE2-CE 3.28Å; E181-K202 WeakPolarHBondContact OE2-CE 3.44Å; E181-K202 IonicContact OE2-NZ 3.92Å; E181-K202 PolarHBondContact OE2-NZ 3.46Å
182C96.6Very high96.5Very high39 Ų3955.1 Ų55.126%0.26431%0.307SS..EExtended strand (participates in β ladder)trans-113.7139.6170.8-68.60000110.7G147 R175 T197 D198G147-C182 PolarHBondContact O-SG 3.39Å; R175-C182 VanDerWaalsContact CZ-SG 3.59Å; R175-C182 PolarHBondContact NH1-SG 3.45Å; R175-C182 PolarHBondContact NH2-SG 3.19Å; C182-T197 HydrophobicContact CB-CG2 4.04Å; C182-D198 CarbonylContact C-O 3.53Å; C182-D198 VanDerWaalsContact CA-O 3.3Å; C182-D198 WeakPolarHBondContact CA-O 3.35Å
183G94.9Very high96.4Very high25 Ų2555.1 Ų55.126%0.25831%0.307SS..  trans-70.4180170.600000112.8T197 D198G183-T197 WeakPolarHBondContact CA-OG1 3.45Å; G183-T197 PolarHBondContact N-OG1 3.19Å; G183-T197 PolarHBondContact O-OG1 3.09Å; G183-D198 PolarHBondContact N-O 3.02Å
184P95.9Very high96.2Very high116 Ų11655.5 Ų55.575%0.75331%0.309SS*.PPolyproline II helixtrans-61.8157168.429.6-35.2000111L186 T197P184-L186 PolarHBondContact O-N 3.37Å; P184-T197 PolarHBondContact O-OG1 3.19Å; P184-T197 VanDerWaalsContact O-OG1 3.07Å
185L95.2Very high96.1Very high78 Ų7854.5 Ų54.541%0.40830%0.304SS..PPolyproline II helixtrans-59.5137.4171.8-66178.9000110.5A148 D187 A196A148-L185 HydrophobicContact CB-CD2 3.53Å; L185-D187 PolarHBondContact O-N 3.46Å; L185-A196 WeakPolarHBondContact CA-O 3.34Å
186L93.9Very high96Very high46 Ų4651 Ų5124%0.24129%0.292CS..PPolyproline II helixtrans-73.6123.9175-61.4176.3000109.7W143 P184 T188 A196W143-L186 HydrophobicContact CD2-CD1 3.94Å; W143-L186 HydrophobicContact CE3-CD1 3.54Å; W143-L186 HydrophobicContact CG-CD1 4.48Å; W143-L186 HydrophobicContact CZ3-CD1 3.91Å; P184-L186 PolarHBondContact O-N 3.37Å; L186-T188 HydrophobicContact CB-CG2 3.86Å; L186-T188 PolarHBondContact O-N 2.93Å; L186-T188 VanDerWaalsContact O-N 3.15Å; L186-A196 HydrophobicContact CD1-CB 4.23Å; L186-A196 PolarHBondContact N-O 2.93Å
187D92.6Very high96Very high125 Ų12546 Ų4667%0.66826%0.257SS*.  trans-81.388.4172.1-172.87.6000109.8L185 R192L185-D187 PolarHBondContact O-N 3.46Å; D187-R192 IonicContact OD1-CZ 2.66Å; D187-R192 IonicContact OD1-NH1 3.87Å; D187-R192 PolarHBondContact OD1-NH1 3.38Å; D187-R192 IonicContact OD1-NH2 2.71Å; D187-R192 PolarHBondContact OD1-NH2 3.01Å; D187-R192 IonicContact OD2-NH2 2.7Å
188T94.3Very high96Very high16 Ų1645.5 Ų45.510%0.09826%0.255CS..  trans-90.7162.3-171.764.40000113.2W143 L186 G190 R192W143-T188 HydrophobicContact CZ3-CG2 3.89Å; L186-T188 HydrophobicContact CB-CG2 3.86Å; L186-T188 PolarHBondContact O-N 2.93Å; L186-T188 VanDerWaalsContact O-N 3.15Å; T188-G190 PolarHBondContact OG1-O 2.82Å; T188-R192 WeakPolarHBondContact O-CG 3.48Å; T188-R192 PolarHBondContact O-NH1 3.14Å
189F94.1Very high96Very high107 Ų10738.4 Ų38.447%0.46922%0.217SC..SBendtrans-61.2-45.2175-177-115.6000112.2W317 R343 R346F189-W317 HydrophobicContact CE1-CH2 4.07Å; F189-W317 HydrophobicContact CE1-CZ3 4.18Å; F189-W317 HydrophobicContact CZ-CH2 4.45Å; F189-R343 HydrophobicContact CD1-CB 4.24Å; F189-R343 HydrophobicContact CD1-CG 4.31Å; F189-R343 WeakPolarHBondContact CD1-O 3.49Å; F189-R343 HydrophobicContact CD2-CG 4.36Å; F189-R343 HydrophobicContact CE1-CB 4.13Å; F189-R343 HydrophobicContact CE1-CG 3.93Å; F189-R343 HydrophobicContact CE2-CG 3.95Å; F189-R343 HydrophobicContact CZ-CB 4.44Å; F189-R343 HydrophobicContact CZ-CG 3.73Å; F189-R343 WeakPolarHBondContact O-CB 3.38Å; F189-R343 WeakPolarHBondContact O-CD 3.43Å; F189-R343 PolarHBondContact O-NH1 3.36Å; F189-R346 HydrophobicContact CD1-CB 3.51Å; F189-R346 HydrophobicContact CD1-CG 3.72Å; F189-R346 HydrophobicContact CE1-CB 3.61Å; F189-R346 HydrophobicContact CE1-CG 3.87Å
190G95Very high96Very high0 Ų039.2 Ų39.20%021%0.214CC..SBendtrans-145.9174177.200000111.9T188 R192 D344 N347T188-G190 PolarHBondContact OG1-O 2.82Å; G190-R192 PolarHBondContact O-N 3.26Å; G190-D344 WeakPolarHBondContact CA-OD1 3.42Å; G190-N347 PolarHBondContact O-ND2 3.08Å; G190-N347 VanDerWaalsContact O-ND2 3.11Å
191A95.6Very high96Very high4 Ų438.1 Ų38.13%0.03321%0.208CC..  trans51.843.4-167.200000111.7G66 A70 G193 S194 D344 N347G66-A191 WeakPolarHBondContact O-CB 3.38Å; A70-A191 HydrophobicContact CB-CB 4.31Å; A191-G193 PolarHBondContact O-N 3.22Å; A191-S194 WeakPolarHBondContact O-CB 3.26Å; A191-S194 PolarHBondContact O-N 3.18Å; A191-S194 PolarHBondContact O-OG 3.32Å; A191-D344 PolarHBondContact N-OD1 3.37Å; A191-N347 WeakPolarHBondContact CB-ND2 3.31Å
192R95.7Very high96.1Very high59 Ų5938.8 Ų38.822%0.22321%0.21CC..THydrogen-bonded Turntrans-62.2-24.9-171.1-67.2175.166.2930.2113.3D18 C21 S67 D187 T188 G190 S194D18-R192 WeakPolarHBondContact O-CD 3.46Å; D18-R192 PolarHBondContact O-NE 3.03Å; D18-R192 VanDerWaalsContact O-NE 3.07Å; D18-R192 VanDerWaalsContact OD1-CD 3.26Å; D18-R192 WeakPolarHBondContact OD1-CD 3.37Å; C21-R192 CarbonylContact C-O 3.51Å; C21-R192 VanDerWaalsContact CA-O 3.23Å; C21-R192 WeakPolarHBondContact CA-O 3.38Å; C21-R192 VanDerWaalsContact O-O 3.09Å; C21-R192 PolarHBondContact SG-NH2 3.05Å; S67-R192 PolarHBondContact OG-N 2.75Å; D187-R192 IonicContact OD1-CZ 2.66Å; D187-R192 IonicContact OD1-NH1 3.87Å; D187-R192 PolarHBondContact OD1-NH1 3.38Å; D187-R192 IonicContact OD1-NH2 2.71Å; D187-R192 PolarHBondContact OD1-NH2 3.01Å; D187-R192 IonicContact OD2-NH2 2.7Å; T188-R192 WeakPolarHBondContact O-CG 3.48Å; T188-R192 PolarHBondContact O-NH1 3.14Å; G190-R192 PolarHBondContact O-N 3.26Å; R192-S194 VanDerWaalsContact C-N 3.31Å; R192-S194 PolarHBondContact O-N 2.8Å
193G96Very high96.1Very high0 Ų044.1 Ų44.10%023%0.228CC..THydrogen-bonded Turntrans-84.76.6175.100000115L23 S67 A191 N195L23-G193 VanDerWaalsContact CB-O 3.29Å; L23-G193 WeakPolarHBondContact CB-O 3.4Å; L23-G193 PolarHBondContact N-O 3.06Å; L23-G193 VanDerWaalsContact N-O 3.09Å; S67-G193 WeakPolarHBondContact OG-CA 3.49Å; S67-G193 PolarHBondContact OG-N 3.02Å; A191-G193 PolarHBondContact O-N 3.22Å; G193-N195 PolarHBondContact O-N 3.17Å
194S95.5Very high96.3Very high8 Ų842.9 Ų42.96%0.05622%0.216CC..SBendtrans-68.3-1.2-176.261.40000115.3N146 A191 R192 A196N146-S194 PolarHBondContact N-O 3.28Å; A191-S194 WeakPolarHBondContact O-CB 3.26Å; A191-S194 PolarHBondContact O-N 3.18Å; A191-S194 PolarHBondContact O-OG 3.32Å; R192-S194 VanDerWaalsContact C-N 3.31Å; R192-S194 PolarHBondContact O-N 2.8Å; S194-A196 PolarHBondContact O-N 2.77Å; S194-A196 VanDerWaalsContact O-N 3.11Å
195N95.9Very high96.4Very high6 Ų643.8 Ų43.83%0.03221%0.208CC..  trans53.731.3-177.8-62.4-42.6000112.6S22 L23 G147 A148 V149 G193S22-N195 WeakPolarHBondContact CA-OD1 3.32Å; L23-N195 PolarHBondContact N-OD1 3.1Å; L23-N195 PolarHBondContact O-ND2 3.26Å; G147-N195 PolarHBondContact N-O 3.05Å; A148-N195 HydrophobicContact CB-CB 4.39Å; A148-N195 PolarHBondContact N-O 3.35Å; V149-N195 HydrophobicContact CG1-CB 4.38Å; V149-N195 HydrophobicContact CG2-CB 4.06Å; G193-N195 PolarHBondContact O-N 3.17Å
196A96.5Very high96.5Very high7 Ų740.1 Ų40.16%0.05819%0.189CC..  trans-72.1133.6-177.600000111.1V144 L185 L186 S194V144-A196 WeakPolarHBondContact O-CA 3.36Å; L185-A196 WeakPolarHBondContact CA-O 3.34Å; L186-A196 HydrophobicContact CD1-CB 4.23Å; L186-A196 PolarHBondContact N-O 2.93Å; S194-A196 PolarHBondContact O-N 2.77Å; S194-A196 VanDerWaalsContact O-N 3.11Å
197T97.4Very high96.7Very high0 Ų039.9 Ų39.90%019%0.19CC..EExtended strand (participates in β ladder)trans-151.4173.6179.5-177.60000110.2V144 A148 C182 G183 P184 V199V144-T197 WeakPolarHBondContact CB-O 3.48Å; V144-T197 PolarHBondContact N-O 3.07Å; V144-T197 PolarHBondContact O-N 2.91Å; A148-T197 HydrophobicContact CB-CG2 4.29Å; C182-T197 HydrophobicContact CB-CG2 4.04Å; G183-T197 WeakPolarHBondContact CA-OG1 3.45Å; G183-T197 PolarHBondContact N-OG1 3.19Å; G183-T197 PolarHBondContact O-OG1 3.09Å; P184-T197 PolarHBondContact O-OG1 3.19Å; P184-T197 VanDerWaalsContact O-OG1 3.07Å; T197-V199 HydrophobicContact CG2-CG2 4.4Å
198D97.9Very high96.9Very high32 Ų3238.5 Ų38.517%0.17118%0.178CC..EExtended strand (participates in β ladder)trans-78.7143.8161.8-72.90.2000110.1H140 K141 T142 C182 G183H140-D198 IonicContact CD2-OD2 2.7Å; H140-D198 IonicContact CE1-OD2 3.63Å; H140-D198 VanDerWaalsContact NE2-CG 3.34Å; H140-D198 IonicContact NE2-OD2 2.75Å; H140-D198 PolarHBondContact NE2-OD2 3.04Å; K141-D198 CarbonylContact O-C 3.55Å; K141-D198 WeakPolarHBondContact O-CA 3.27Å; T142-D198 VanDerWaalsContact CA-OD1 3.27Å; T142-D198 WeakPolarHBondContact CA-OD1 3.46Å; T142-D198 WeakPolarHBondContact CB-OD1 3.27Å; T142-D198 PolarHBondContact OG1-OD1 2.75Å; C182-D198 CarbonylContact C-O 3.53Å; C182-D198 VanDerWaalsContact CA-O 3.3Å; C182-D198 WeakPolarHBondContact CA-O 3.35Å; G183-D198 PolarHBondContact N-O 3.02Å
199V98.6Very high97Very high0 Ų045.6 Ų45.60%021%0.208CC..EExtended strand (participates in β ladder)trans-123119.8173-175.90000108.4K141 V144 F153 I180 E181 T197 F201K141-V199 PolarHBondContact N-O 3.18Å; K141-V199 PolarHBondContact O-N 3.35Å; V144-V199 HydrophobicContact CB-CG2 3.77Å; V144-V199 HydrophobicContact CG1-CG2 3.82Å; V144-V199 HydrophobicContact CG2-CB 4.18Å; V144-V199 HydrophobicContact CG2-CG2 3.82Å; F153-V199 HydrophobicContact CE1-CG1 4.46Å; F153-V199 HydrophobicContact CE1-CG2 4.07Å; F153-V199 HydrophobicContact CZ-CG1 4.32Å; F153-V199 HydrophobicContact CZ-CG2 4.36Å; I180-V199 HydrophobicContact CG2-CG1 4.05Å; E181-V199 WeakPolarHBondContact O-CA 3.41Å; T197-V199 HydrophobicContact CG2-CG2 4.4Å; V199-F201 HydrophobicContact CB-CE2 4.3Å; V199-F201 HydrophobicContact CB-CZ 4.44Å; V199-F201 HydrophobicContact CG1-CE1 4.15Å; V199-F201 HydrophobicContact CG1-CE2 3.75Å; V199-F201 HydrophobicContact CG1-CZ 3.52Å
200I98.6Very high97.2Very high44 Ų4440.8 Ų40.823%0.22619%0.187CC..EExtended strand (participates in β ladder)trans-111126.8-173.9-56.7158.3000107.6I180 E181 K202I180-I200 WeakPolarHBondContact CA-O 3.49Å; E181-I200 HydrophobicContact CB-CB 4.34Å; E181-I200 PolarHBondContact N-O 3.35Å; E181-I200 PolarHBondContact O-N 3.14Å; I200-K202 HydrophobicContact CG2-CG 4.04Å
201F98.7Very high97.3Very high2 Ų242.1 Ų42.11%0.00919%0.194CC..EExtended strand (participates in β ladder)trans-107117.7175.7-56.1-89000107.6L137 D138 G139 K141 V155 V173 I180 V199 V204L137-F201 HydrophobicContact CD2-CB 4.1Å; L137-F201 HydrophobicContact CD2-CD1 3.64Å; L137-F201 HydrophobicContact CD2-CD2 4.43Å; L137-F201 HydrophobicContact CD2-CE1 4.19Å; L137-F201 HydrophobicContact CD2-CG 3.79Å; L137-F201 HydrophobicContact CG-CB 3.95Å; L137-F201 HydrophobicContact CG-CD1 4.42Å; L137-F201 HydrophobicContact CG-CG 4.16Å; D138-F201 WeakPolarHBondContact CA-O 3.26Å; G139-F201 PolarHBondContact N-O 2.96Å; G139-F201 PolarHBondContact O-N 2.9Å; K141-F201 HydrophobicContact CG-CD2 4.43Å; K141-F201 HydrophobicContact CG-CE2 3.83Å; V155-F201 HydrophobicContact CB-CZ 4.5Å; V155-F201 HydrophobicContact CG1-CE2 4.05Å; V155-F201 HydrophobicContact CG1-CZ 4.13Å; V155-F201 HydrophobicContact CG2-CE1 3.91Å; V155-F201 HydrophobicContact CG2-CE2 4.25Å; V155-F201 HydrophobicContact CG2-CZ 3.51Å; V173-F201 HydrophobicContact CG1-CD1 4.44Å; V173-F201 HydrophobicContact CG1-CE1 4.01Å; I180-F201 HydrophobicContact CD1-CE1 4.35Å; I180-F201 HydrophobicContact CG1-CD1 3.98Å; I180-F201 HydrophobicContact CG1-CE1 4.19Å; I180-F201 HydrophobicContact CG2-CE1 4.45Å; V199-F201 HydrophobicContact CB-CE2 4.3Å; V199-F201 HydrophobicContact CB-CZ 4.44Å; V199-F201 HydrophobicContact CG1-CE1 4.15Å; V199-F201 HydrophobicContact CG1-CE2 3.75Å; V199-F201 HydrophobicContact CG1-CZ 3.52Å; F201-V204 HydrophobicContact CB-CG2 3.84Å; F201-V204 HydrophobicContact CD1-CG2 4.06Å; F201-V204 HydrophobicContact CG-CG2 4.47Å
202K98.3Very high97.4Very high100 Ų10042 Ų4244%0.43519%0.192SC..EExtended strand (participates in β ladder)trans-113.899.8177.4-63.4-178.3-174167.40109.7D138 G179 E181 I200 V204D138-K202 WeakPolarHBondContact OD1-CA 3.49Å; G179-K202 PolarHBondContact O-N 3.03Å; E181-K202 WeakPolarHBondContact OE1-CE 3.37Å; E181-K202 IonicContact OE1-NZ 3.7Å; E181-K202 PolarHBondContact OE1-NZ 3.34Å; E181-K202 VanDerWaalsContact OE2-CE 3.28Å; E181-K202 WeakPolarHBondContact OE2-CE 3.44Å; E181-K202 IonicContact OE2-NZ 3.92Å; E181-K202 PolarHBondContact OE2-NZ 3.46Å; I200-K202 HydrophobicContact CG2-CG 4.04Å; K202-V204 PolarHBondContact O-N 3.05Å
203K98Very high97.3Very high151 Ų15140.6 Ų40.666%0.65720%0.197SC*.EExtended strand (participates in β ladder)trans48.242-179.7-60.5-178.7178.8-175.40113.4I136 L137 D138 K205I136-K203 HydrophobicContact CG2-CB 3.92Å; I136-K203 HydrophobicContact CG2-CG 4.23Å; L137-K203 CarbonylContact O-C 3.57Å; L137-K203 WeakPolarHBondContact O-CA 3.26Å; L137-K203 PolarHBondContact O-N 2.99Å; D138-K203 PolarHBondContact OD1-N 3.09Å; D138-K203 VanDerWaalsContact OD2-CG 3.29Å; D138-K203 WeakPolarHBondContact OD2-CG 3.16Å; K203-K205 PolarHBondContact O-N 2.76Å
204V98.6Very high97.2Very high0 Ų047.6 Ų47.60%023%0.227CC..EExtended strand (participates in β ladder)trans-69.5125.7-177.3-179.50000109L137 V173 L177 G179 I180 F201 K202 V206L137-V204 HydrophobicContact CB-CB 4.3Å; L137-V204 PolarHBondContact N-O 3.48Å; L137-V204 PolarHBondContact O-N 3.17Å; V173-V204 HydrophobicContact CG1-CG1 4.29Å; L177-V204 HydrophobicContact CB-CG1 3.82Å; L177-V204 HydrophobicContact CD1-CG1 4.08Å; G179-V204 WeakPolarHBondContact O-CG2 3.31Å; I180-V204 HydrophobicContact CD1-CG1 4.3Å; I180-V204 HydrophobicContact CG1-CG1 4.11Å; I180-V204 HydrophobicContact CG1-CG2 3.79Å; F201-V204 HydrophobicContact CB-CG2 3.84Å; F201-V204 HydrophobicContact CD1-CG2 4.06Å; F201-V204 HydrophobicContact CG-CG2 4.47Å; K202-V204 PolarHBondContact O-N 3.05Å; V204-V206 HydrophobicContact CG1-CG2 4.05Å; V204-V206 PolarHBondContact O-N 3.43Å
205K98.3Very high97.1Very high134 Ų13450.3 Ų50.358%0.58324%0.239SC*.EExtended strand (participates in β ladder)trans-83.893.1180-64.1-178.9-179.3176.20110.1Y135 K203 P207Y135-K205 CarbonylContact O-C 3.56Å; Y135-K205 WeakPolarHBondContact O-CA 3.09Å; K203-K205 PolarHBondContact O-N 2.76Å; K205-P207 WeakPolarHBondContact O-CD 3.37Å
206V98.2Very high96.9Very high1 Ų150.9 Ų50.91%0.00625%0.246CC..EExtended strand (participates in β ladder)trans-89.9113.6-179.5-176.50000109.4H134 Y135 L137 F171 V173 V204 N210H134-V206 CarbonylContact C-O 3.59Å; H134-V206 WeakPolarHBondContact CA-O 3.45Å; H134-V206 WeakPolarHBondContact CB-O 3.22Å; Y135-V206 PolarHBondContact N-O 3.27Å; Y135-V206 PolarHBondContact O-N 2.99Å; L137-V206 HydrophobicContact CB-CG2 3.91Å; L137-V206 HydrophobicContact CD2-CG2 4Å; F171-V206 HydrophobicContact CB-CG1 4.31Å; F171-V206 HydrophobicContact CD1-CG1 4.09Å; F171-V206 HydrophobicContact CG-CG1 4.49Å; V173-V206 HydrophobicContact CG1-CG2 4.32Å; V173-V206 HydrophobicContact CG2-CG1 4.25Å; V173-V206 HydrophobicContact CG2-CG2 3.96Å; V204-V206 HydrophobicContact CG1-CG2 4.05Å; V204-V206 PolarHBondContact O-N 3.43Å; V206-N210 HydrophobicContact CG1-CB 3.89Å
207P97.5Very high96.7Very high42 Ų4253.5 Ų53.527%0.27326%0.259SS..EExtended strand (participates in β ladder)trans-54.2142.6-179.9-26.535.5000112.2K205 K209 N210K205-P207 WeakPolarHBondContact O-CD 3.37Å; P207-K209 HydrophobicContact CB-CG 3.95Å; P207-K209 PolarHBondContact O-N 3.39Å; P207-K209 VanDerWaalsContact O-N 3.13Å; P207-N210 VanDerWaalsContact O-CB 3.27Å; P207-N210 WeakPolarHBondContact O-CB 3.17Å; P207-N210 PolarHBondContact O-N 3.32Å
208K95.8Very high96.5Very high95 Ų9553.6 Ų53.641%0.41326%0.26SS..G310 helixtrans-57.8-32.3-179.8-178170-178.6174.90113.4L128 D132 D133 Y135 N210 L211L128-K208 HydrophobicContact CD1-CD 4.46Å; D132-K208 WeakPolarHBondContact O-CD 3.35Å; D132-K208 PolarHBondContact O-NZ 3.13Å; D133-K208 WeakPolarHBondContact O-CB 3.45Å; D133-K208 PolarHBondContact O-N 3.4Å; Y135-K208 HydrophobicContact CE2-CG 4.29Å; K208-N210 PolarHBondContact O-N 3.07Å; K208-L211 WeakPolarHBondContact O-CB 3.43Å; K208-L211 PolarHBondContact O-N 3.43Å; K208-L211 VanDerWaalsContact O-N 3.15Å
209K96.4Very high96.2Very high165 Ų16554.9 Ų54.972%0.71726%0.264SS*.G310 helixtrans-63.8-14174.670.5174-175174.50114Q91 P207Q91-K209 PolarHBondContact NE2-O 3.46Å; P207-K209 HydrophobicContact CB-CG 3.95Å; P207-K209 PolarHBondContact O-N 3.39Å; P207-K209 VanDerWaalsContact O-N 3.13Å
210N97.9Very high95.8Very high6 Ų660.8 Ų60.83%0.03229%0.29CS..G310 helixtrans-90.8-0.2178.2-7541.8000112.6Y95 F171 I172 V206 P207 K208 L212Y95-N210 PolarHBondContact OH-ND2 3.48Å; F171-N210 WeakPolarHBondContact CA-O 3.45Å; I172-N210 PolarHBondContact N-O 2.94Å; I172-N210 VanDerWaalsContact O-CB 3.25Å; I172-N210 WeakPolarHBondContact O-CB 3.5Å; I172-N210 PolarHBondContact O-ND2 2.89Å; V206-N210 HydrophobicContact CG1-CB 3.89Å; P207-N210 VanDerWaalsContact O-CB 3.27Å; P207-N210 WeakPolarHBondContact O-CB 3.17Å; P207-N210 PolarHBondContact O-N 3.32Å; K208-N210 PolarHBondContact O-N 3.07Å; N210-L212 PolarHBondContact O-N 2.91Å
211L97.4Very high95.4Very high28 Ų2859 Ų5915%0.14728%0.281CS..EExtended strand (participates in β ladder)trans-58.7127.6166.1-174.3154.6000109.1Q91 Y135 T169 F171 K208 G213 H215Q91-L211 PolarHBondContact NE2-O 2.85Å; Y135-L211 HydrophobicContact CE2-CD1 4.28Å; T169-L211 HydrophobicContact CG2-CD1 3.85Å; T169-L211 HydrophobicContact CG2-CD2 4.49Å; T169-L211 HydrophobicContact CG2-CG 3.82Å; F171-L211 HydrophobicContact CD1-CB 4.37Å; F171-L211 HydrophobicContact CE1-CB 4.28Å; F171-L211 HydrophobicContact CE1-CG 4.41Å; K208-L211 WeakPolarHBondContact O-CB 3.43Å; K208-L211 PolarHBondContact O-N 3.43Å; K208-L211 VanDerWaalsContact O-N 3.15Å; L211-G213 WeakPolarHBondContact CD2-O 3.15Å; L211-H215 HydrophobicContact CD1-CB 4.33Å
212L97.4Very high95.1Very high1 Ų159 Ų591%0.00528%0.281CS..EExtended strand (participates in β ladder)trans-101.9118.9-176.6-177.554.2000110.3T82 I83 L86 V154 A170 I172 N210T82-L212 HydrophobicContact CG2-CD2 3.63Å; I83-L212 HydrophobicContact CG1-CD2 4.27Å; L86-L212 HydrophobicContact CB-CD1 3.78Å; L86-L212 HydrophobicContact CB-CG 3.95Å; V154-L212 HydrophobicContact CG1-CD2 4.28Å; V154-L212 HydrophobicContact CG2-CD2 4.15Å; A170-L212 HydrophobicContact CB-CB 4.15Å; A170-L212 PolarHBondContact O-N 3.34Å; I172-L212 HydrophobicContact CD1-CD1 4.16Å; I172-L212 HydrophobicContact CG1-CB 4.24Å; I172-L212 HydrophobicContact CG1-CD1 4.37Å; I172-L212 HydrophobicContact CG1-CD2 4.04Å; I172-L212 HydrophobicContact CG1-CG 4.46Å; N210-L212 PolarHBondContact O-N 2.91Å
213G95.6Very high94.7Very high30 Ų3058 Ų5831%0.30928%0.278SS..SBendtrans75.5-134.4-174.800000112.3L86 L211L86-G213 WeakPolarHBondContact O-CA 3.34Å; L86-G213 PolarHBondContact O-N 2.97Å; L211-G213 WeakPolarHBondContact CD2-O 3.15Å
214K93.3Very high94.2Very high148 Ų14854.7 Ų54.764%0.64327%0.267SS*.SBendtrans-107.7148.8179-59.3-178.3-175.5173.70110.4G216 D217K214-G216 PolarHBondContact O-N 2.91Å; K214-D217 HydrophobicContact CB-CB 4.18Å; K214-D217 WeakPolarHBondContact CB-OD2 3.49Å; K214-D217 WeakPolarHBondContact CD-OD2 3.46Å; K214-D217 PolarHBondContact O-N 3.44Å
215H92.7Very high93.9Very high64 Ų6454.8 Ų54.830%0.29627%0.268SS..THydrogen-bonded Turntrans-52.2132.5167.5178.9-76.3000109.6T159 E167 L211 D217T159-H215 WeakPolarHBondContact CB-NE2 3.11Å; T159-H215 PolarHBondContact OG1-CE1 3.04Å; T159-H215 PolarHBondContact OG1-NE2 2.96Å; E167-H215 IonicContact OE2-CE1 2.77Å; E167-H215 PolarHBondContact OE2-CE1 2.79Å; E167-H215 IonicContact OE2-ND1 2.78Å; E167-H215 PolarHBondContact OE2-ND1 3.07Å; L211-H215 HydrophobicContact CD1-CB 4.33Å; H215-D217 VanDerWaalsContact C-N 3.26Å; H215-D217 PolarHBondContact O-N 3.32Å
216G92Very high93.5Very high18 Ų1848.6 Ų48.619%0.18624%0.241CC..THydrogen-bonded Turntrans79.7-9.717700000116.9E167 I168 T169 K214 G218E167-G216 VanDerWaalsContact OE2-CA 3.28Å; E167-G216 WeakPolarHBondContact OE2-CA 3.43Å; I168-G216 CarbonylContact O-C 3.59Å; I168-G216 VanDerWaalsContact O-CA 3.25Å; I168-G216 WeakPolarHBondContact O-CA 3.44Å; T169-G216 PolarHBondContact OG1-N 3.28Å; K214-G216 PolarHBondContact O-N 2.91Å; G216-G218 PolarHBondContact O-N 2.9Å
217D92.4Very high93.2Very high63 Ų6349.5 Ų49.534%0.33725%0.246SC..BIsolated β-bridgetrans-82.25.2178.2-86.4-9000113.1K214 H215 F219 K220 T221K214-D217 HydrophobicContact CB-CB 4.18Å; K214-D217 WeakPolarHBondContact CB-OD2 3.49Å; K214-D217 WeakPolarHBondContact CD-OD2 3.46Å; K214-D217 PolarHBondContact O-N 3.44Å; H215-D217 VanDerWaalsContact C-N 3.26Å; H215-D217 PolarHBondContact O-N 3.32Å; D217-F219 PolarHBondContact O-N 3.37Å; D217-K220 PolarHBondContact O-N 2.9Å; D217-T221 VanDerWaalsContact O-CB 3.3Å; D217-T221 WeakPolarHBondContact O-CB 3.39Å; D217-T221 PolarHBondContact O-N 2.83Å; D217-T221 PolarHBondContact O-OG1 3.02Å
218G93.2Very high92.8Very high1 Ų149.2 Ų49.21%0.0124%0.242CC..Hα-helixtrans-64-36.5-174.100000113.8F156 I168 G216 T221 A222F156-G218 WeakPolarHBondContact CD1-O 3.25Å; F156-G218 VanDerWaalsContact CE1-O 3.23Å; F156-G218 WeakPolarHBondContact CE1-O 3.38Å; I168-G218 WeakPolarHBondContact O-CA 3.38Å; I168-G218 PolarHBondContact O-N 3.42Å; G216-G218 PolarHBondContact O-N 2.9Å; G218-T221 WeakPolarHBondContact O-CB 3.39Å; G218-T221 PolarHBondContact O-N 3.07Å; G218-A222 PolarHBondContact O-N 2.97Å
219F90.8Very high92.6Very high59 Ų5945.1 Ų45.126%0.25923%0.225SC..Hα-helixtrans-63.6-51.5175.8178.4-103.8000111.6I119 Q120 I168 D217 T221 A222 Q223I119-F219 HydrophobicContact CB-CD2 4.13Å; I119-F219 HydrophobicContact CB-CE2 4.1Å; I119-F219 HydrophobicContact CG2-CD2 3.9Å; I119-F219 HydrophobicContact CG2-CE2 4.38Å; Q120-F219 HydrophobicContact CG-CD2 3.73Å; Q120-F219 HydrophobicContact CG-CE2 3.48Å; Q120-F219 VanDerWaalsContact CG-CE2 3.48Å; Q120-F219 HydrophobicContact CG-CG 4.45Å; Q120-F219 HydrophobicContact CG-CZ 4Å; I168-F219 HydrophobicContact CD1-CB 4.39Å; D217-F219 PolarHBondContact O-N 3.37Å; F219-T221 VanDerWaalsContact C-N 3.26Å; F219-T221 PolarHBondContact O-N 2.84Å; F219-A222 PolarHBondContact O-N 3.44Å; F219-Q223 HydrophobicContact CE1-CG 4.23Å; F219-Q223 HydrophobicContact CZ-CG 4.19Å; F219-Q223 WeakPolarHBondContact O-CG 3.33Å; F219-Q223 PolarHBondContact O-N 3.34Å; F219-Q223 VanDerWaalsContact O-N 3.07Å
220K90.7Very high92.6Very high125 Ų12537.6 Ų37.654%0.54319%0.192SC..Hα-helixtrans-59-39.6176.3-179.2178.8179.6178.50111.7D217 Q223 N224D217-K220 PolarHBondContact O-N 2.9Å; K220-Q223 PolarHBondContact O-N 3.29Å; K220-N224 VanDerWaalsContact O-CG 3.26Å; K220-N224 PolarHBondContact O-N 3.03Å; K220-N224 PolarHBondContact O-ND2 3.4Å
221T90.7Very high92.5Very high7 Ų737.3 Ų37.34%0.04319%0.19CC..Hα-helixtrans-58.4-50.9175-66.30000111.7T82 L86 F156 D217 G218 F219 Q223 N224 V225T82-T221 HydrophobicContact CG2-CG2 3.7Å; L86-T221 HydrophobicContact CD1-CG2 3.13Å; L86-T221 WeakPolarHBondContact CD1-OG1 3.41Å; F156-T221 HydrophobicContact CE1-CG2 3.88Å; F156-T221 HydrophobicContact CZ-CG2 4.04Å; D217-T221 VanDerWaalsContact O-CB 3.3Å; D217-T221 WeakPolarHBondContact O-CB 3.39Å; D217-T221 PolarHBondContact O-N 2.83Å; D217-T221 PolarHBondContact O-OG1 3.02Å; G218-T221 WeakPolarHBondContact O-CB 3.39Å; G218-T221 PolarHBondContact O-N 3.07Å; F219-T221 VanDerWaalsContact C-N 3.26Å; F219-T221 PolarHBondContact O-N 2.84Å; T221-Q223 VanDerWaalsContact C-N 3.32Å; T221-Q223 PolarHBondContact O-N 3.09Å; T221-N224 PolarHBondContact O-N 3.44Å; T221-V225 WeakPolarHBondContact O-CG2 3.28Å; T221-V225 PolarHBondContact O-N 3.46Å; T221-V225 VanDerWaalsContact O-N 3.16Å
222A91.3Very high92.4Very high0 Ų036 Ų360%018%0.184CC..Hα-helixtrans-58.5-46.3179.100000110.7L110 I119 F156 G218 F219 N224 V225 L226L110-A222 HydrophobicContact CD1-CB 4.03Å; L110-A222 HydrophobicContact CD2-CB 4.32Å; I119-A222 HydrophobicContact CD1-CB 4.21Å; F156-A222 HydrophobicContact CD1-CB 4.34Å; F156-A222 HydrophobicContact CE1-CB 3.86Å; F156-A222 HydrophobicContact CZ-CB 4.12Å; G218-A222 PolarHBondContact O-N 2.97Å; F219-A222 PolarHBondContact O-N 3.44Å; A222-N224 PolarHBondContact O-N 3.05Å; A222-V225 PolarHBondContact O-N 3.32Å; A222-L226 WeakPolarHBondContact O-CB 3.34Å; A222-L226 WeakPolarHBondContact O-CG 3.13Å; A222-L226 PolarHBondContact O-N 2.88Å
223Q89.6Confident92.4Very high80 Ų8036.2 Ų36.237%0.37419%0.185SC..Hα-helixtrans-57.6-49.9177.3-68.3-179-59.800112.3F219 K220 T221 V225 L226 V227F219-Q223 HydrophobicContact CE1-CG 4.23Å; F219-Q223 HydrophobicContact CZ-CG 4.19Å; F219-Q223 WeakPolarHBondContact O-CG 3.33Å; F219-Q223 PolarHBondContact O-N 3.34Å; F219-Q223 VanDerWaalsContact O-N 3.07Å; K220-Q223 PolarHBondContact O-N 3.29Å; T221-Q223 VanDerWaalsContact C-N 3.32Å; T221-Q223 PolarHBondContact O-N 3.09Å; Q223-V225 VanDerWaalsContact C-N 3.31Å; Q223-V225 PolarHBondContact O-N 2.87Å; Q223-L226 PolarHBondContact O-N 3.27Å; Q223-V227 VanDerWaalsContact O-CG2 3.28Å; Q223-V227 WeakPolarHBondContact O-CG2 3.45Å; Q223-V227 PolarHBondContact O-N 3.32Å
224N89Confident92.5Very high82 Ų8234.9 Ų34.944%0.43917%0.171SC..Hα-helixtrans-60.3-39-178.2-71.3-16.7000113.1K220 T221 A222K220-N224 VanDerWaalsContact O-CG 3.26Å; K220-N224 PolarHBondContact O-N 3.03Å; K220-N224 PolarHBondContact O-ND2 3.4Å; T221-N224 PolarHBondContact O-N 3.44Å; A222-N224 PolarHBondContact O-N 3.05Å
225V91.3Very high92.7Very high2 Ų227.9 Ų27.91%0.01214%0.14CC..Hα-helixtrans-73.1-39.9179.5174.20000110.9L78 T82 L85 T221 A222 Q223 V227 L228 H229L78-V225 HydrophobicContact CD2-CG1 3.62Å; T82-V225 HydrophobicContact CG2-CG2 4.32Å; T82-V225 WeakPolarHBondContact OG1-CG2 3.37Å; L85-V225 HydrophobicContact CD1-CG2 4.42Å; T221-V225 WeakPolarHBondContact O-CG2 3.28Å; T221-V225 PolarHBondContact O-N 3.46Å; T221-V225 VanDerWaalsContact O-N 3.16Å; A222-V225 PolarHBondContact O-N 3.32Å; Q223-V225 VanDerWaalsContact C-N 3.31Å; Q223-V225 PolarHBondContact O-N 2.87Å; V225-V227 VanDerWaalsContact C-N 3.33Å; V225-V227 PolarHBondContact O-N 3.28Å; V225-L228 PolarHBondContact O-N 3.09Å; V225-H229 PolarHBondContact O-N 3.38Å; V225-H229 VanDerWaalsContact O-N 3.13Å
226L91.4Very high92.9Very high4 Ų425 Ų252%0.02113%0.127CC..Hα-helixtrans-63.7-37.2176.3-70.1174.1000112.3L110 I119 A222 Q223 L228 H229 R230 M352 E353L110-L226 HydrophobicContact CD2-CD1 4.16Å; I119-L226 HydrophobicContact CD1-CD1 4Å; A222-L226 WeakPolarHBondContact O-CB 3.34Å; A222-L226 WeakPolarHBondContact O-CG 3.13Å; A222-L226 PolarHBondContact O-N 2.88Å; Q223-L226 PolarHBondContact O-N 3.27Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.74Å; L226-H229 WeakPolarHBondContact O-CB 3.39Å; L226-H229 PolarHBondContact O-N 2.91Å; L226-H229 VanDerWaalsContact O-N 3.09Å; L226-R230 WeakPolarHBondContact O-CG 3.47Å; L226-R230 PolarHBondContact O-N 3.12Å; L226-R230 VanDerWaalsContact O-N 3.16Å; L226-M352 HydrophobicContact CD2-CB 3.93Å; L226-M352 HydrophobicContact CD2-CE 3.92Å; L226-M352 HydrophobicContact CD2-CG 4.42Å; L226-M352 HydrophobicContact CD2-SD 3.72Å; L226-E353 HydrophobicContact CD1-CG 4.45Å
227V91.2Very high93.2Very high19 Ų1924.1 Ų24.112%0.11512%0.118CC..Hα-helixtrans-56.1-46175.7169.70000111.5Q223 V225 R230 L305Q223-V227 VanDerWaalsContact O-CG2 3.28Å; Q223-V227 WeakPolarHBondContact O-CG2 3.45Å; Q223-V227 PolarHBondContact O-N 3.32Å; V225-V227 VanDerWaalsContact C-N 3.33Å; V225-V227 PolarHBondContact O-N 3.28Å; V227-R230 WeakPolarHBondContact O-CB 3.4Å; V227-R230 PolarHBondContact O-N 3.46Å; V227-L305 HydrophobicContact CG1-CD1 3.79Å; V227-L305 WeakPolarHBondContact O-CD1 3.44Å
228L87.8Confident93.5Very high36 Ų3621.1 Ų21.119%0.18810%0.102CC..Hα-helixtrans-69.6-33.8176.4-69.6177.8000112.6K81 V225 L226 R230 L231 L293K81-L228 HydrophobicContact CG-CD1 4.43Å; V225-L228 PolarHBondContact O-N 3.09Å; L226-L228 VanDerWaalsContact C-N 3.33Å; L226-L228 PolarHBondContact O-N 2.74Å; L228-R230 PolarHBondContact O-N 3.33Å; L228-L231 PolarHBondContact O-N 3.21Å; L228-L293 HydrophobicContact CD2-CD1 3.93Å
229H93.1Very high93.8Very high9 Ų921.3 Ų21.34%0.04210%0.104CC..Hα-helixtrans-59.2-34.8175.7171.479.7000112.6W69 T73 L78 V225 L226 L231 N232 T233 M352W69-H229 AromaticContact CH2-CE1 3.75Å; W69-H229 AromaticContact CZ2-CE1 3.67Å; T73-H229 VanDerWaalsContact CG2-CE1 3.49Å; T73-H229 WeakPolarHBondContact CG2-CE1 3.49Å; T73-H229 VanDerWaalsContact CG2-ND1 3.3Å; T73-H229 WeakPolarHBondContact CG2-ND1 3.37Å; L78-H229 HydrophobicContact CD2-CB 4.26Å; V225-H229 PolarHBondContact O-N 3.38Å; V225-H229 VanDerWaalsContact O-N 3.13Å; L226-H229 WeakPolarHBondContact O-CB 3.39Å; L226-H229 PolarHBondContact O-N 2.91Å; L226-H229 VanDerWaalsContact O-N 3.09Å; H229-L231 PolarHBondContact O-N 2.98Å; H229-L231 VanDerWaalsContact O-N 3.16Å; H229-N232 WeakPolarHBondContact O-CA 3.45Å; H229-N232 VanDerWaalsContact O-CB 3.25Å; H229-N232 WeakPolarHBondContact O-CB 3.33Å; H229-N232 PolarHBondContact O-N 3.32Å; H229-T233 PolarHBondContact CD2-OG1 3.4Å; H229-T233 VanDerWaalsContact CD2-OG1 3.29Å; H229-T233 PolarHBondContact NE2-OG1 2.85Å; H229-T233 PolarHBondContact O-N 3.13Å; H229-T233 PolarHBondContact O-OG1 3.32Å; H229-M352 HydrophobicContact CB-CE 3.79Å; H229-M352 WeakPolarHBondContact CD2-CE 3.13Å; H229-M352 WeakPolarHBondContact CE1-CE 3.19Å; H229-M352 WeakPolarHBondContact ND1-CE 3.25Å; H229-M352 WeakPolarHBondContact NE2-CE 2.97Å
230R95.8Very high94.1Very high7 Ų718.8 Ų18.83%0.0269%0.094CC..Hα-helixtrans-52.9-39.2178.7-66.9168.3-173.2165.61.5112.3L226 V227 L228 T233 V234 S302 L305 K309 E353L226-R230 WeakPolarHBondContact O-CG 3.47Å; L226-R230 PolarHBondContact O-N 3.12Å; L226-R230 VanDerWaalsContact O-N 3.16Å; V227-R230 WeakPolarHBondContact O-CB 3.4Å; V227-R230 PolarHBondContact O-N 3.46Å; L228-R230 PolarHBondContact O-N 3.33Å; R230-T233 PolarHBondContact O-N 3.01Å; R230-V234 WeakPolarHBondContact O-CG2 3.26Å; R230-V234 PolarHBondContact O-N 3.33Å; R230-V234 VanDerWaalsContact O-N 3.13Å; R230-S302 PolarHBondContact NH1-O 2.68Å; R230-L305 HydrophobicContact CB-CB 4.19Å; R230-K309 HydrophobicContact CB-CB 4.02Å; R230-K309 HydrophobicContact CB-CG 4.25Å; R230-K309 HydrophobicContact CG-CB 4.18Å; R230-K309 HydrophobicContact CG-CG 4.2Å; R230-E353 IonicContact CZ-OE1 3.79Å; R230-E353 IonicContact CZ-OE2 3.53Å; R230-E353 IonicContact NE-OE1 2.85Å; R230-E353 IonicContact NE-OE2 2.86Å; R230-E353 PolarHBondContact NE-OE2 3.46Å; R230-E353 IonicContact NH2-OE1 3.22Å; R230-E353 PolarHBondContact NH2-OE1 3.4Å; R230-E353 IonicContact NH2-OE2 3.93Å; R230-E353 PolarHBondContact NH2-OE2 2.91Å
231L95.6Very high94.5Very high0 Ų012.9 Ų12.90%07%0.068CC..Hα-helixtrans-64.3-39.1174.6-77.8171.8000112.7T52 I56 L228 H229 V234 A235 L286 F289 L293 L305 L308T52-L231 HydrophobicContact CG2-CD1 3.91Å; I56-L231 HydrophobicContact CG2-CB 4.05Å; L228-L231 PolarHBondContact O-N 3.21Å; H229-L231 PolarHBondContact O-N 2.98Å; H229-L231 VanDerWaalsContact O-N 3.16Å; L231-V234 PolarHBondContact O-N 2.91Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.35Å; L231-L286 HydrophobicContact CD2-CD1 3.86Å; L231-F289 HydrophobicContact CD2-CB 4.24Å; L231-L293 HydrophobicContact CD1-CD1 3.61Å; L231-L305 HydrophobicContact CD1-CD1 4.04Å; L231-L305 HydrophobicContact CD1-CD2 4.09Å; L231-L305 HydrophobicContact CD2-CD2 3.47Å; L231-L305 VanDerWaalsContact CD2-CD2 3.47Å; L231-L305 HydrophobicContact CG-CD1 4.01Å; L231-L305 HydrophobicContact CG-CD2 3.59Å; L231-L305 HydrophobicContact CG-CG 4.42Å; L231-L308 HydrophobicContact CD2-CD2 4.39Å
232N95.9Very high94.8Very high2 Ų215.7 Ų15.71%0.0118%0.078CC..Hα-helixtrans-64.3-43.4177.2-176.214.6000111.8W55 C59 W69 T73 S77 H229 V234 A235 S236W55-N232 HydrophobicContact CH2-CB 3.69Å; W55-N232 HydrophobicContact CZ2-CB 3.63Å; C59-N232 WeakPolarHBondContact CB-OD1 3.39Å; C59-N232 PolarHBondContact SG-OD1 3.18Å; W69-N232 PolarHBondContact NE1-OD1 2.93Å; T73-N232 PolarHBondContact OG1-ND2 3.26Å; S77-N232 PolarHBondContact OG-ND2 3.21Å; H229-N232 WeakPolarHBondContact O-CA 3.45Å; H229-N232 VanDerWaalsContact O-CB 3.25Å; H229-N232 WeakPolarHBondContact O-CB 3.33Å; H229-N232 PolarHBondContact O-N 3.32Å; N232-V234 VanDerWaalsContact C-N 3.31Å; N232-V234 PolarHBondContact O-N 2.96Å; N232-A235 PolarHBondContact O-N 3.12Å; N232-S236 PolarHBondContact O-N 3.22Å
233T96.9Very high95.1Very high5 Ų518.7 Ų18.73%0.0319%0.09CC..Hα-helixtrans-58.2-45.4174-37.20000111.2H229 R230 S236 G237 H348H229-T233 PolarHBondContact CD2-OG1 3.4Å; H229-T233 VanDerWaalsContact CD2-OG1 3.29Å; H229-T233 PolarHBondContact NE2-OG1 2.85Å; H229-T233 PolarHBondContact O-N 3.13Å; H229-T233 PolarHBondContact O-OG1 3.32Å; R230-T233 PolarHBondContact O-N 3.01Å; T233-S236 PolarHBondContact O-N 3.34Å; T233-G237 PolarHBondContact O-N 2.86Å; T233-G237 VanDerWaalsContact O-N 3.09Å; T233-H348 HydrophobicContact CG2-CB 3.75Å
234V98.1Very high95.5Very high2 Ų214.9 Ų14.91%0.0127%0.072CC..Hα-helixtrans-64.2-45.7179.3175.60000110.7R230 L231 N232 S236 G237 V238 L286 L308 K309 S312R230-V234 WeakPolarHBondContact O-CG2 3.26Å; R230-V234 PolarHBondContact O-N 3.33Å; R230-V234 VanDerWaalsContact O-N 3.13Å; L231-V234 PolarHBondContact O-N 2.91Å; N232-V234 VanDerWaalsContact C-N 3.31Å; N232-V234 PolarHBondContact O-N 2.96Å; V234-S236 PolarHBondContact O-N 3.41Å; V234-G237 PolarHBondContact O-N 3.39Å; V234-V238 HydrophobicContact CG1-CG2 4.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.15Å; V234-V238 PolarHBondContact O-N 3.22Å; V234-L286 HydrophobicContact CB-CD1 4.25Å; V234-L286 HydrophobicContact CG1-CB 4.07Å; V234-L286 HydrophobicContact CG1-CD1 4.04Å; V234-L286 HydrophobicContact CG1-CG 4.43Å; V234-L308 HydrophobicContact CB-CG 4.5Å; V234-L308 HydrophobicContact CG1-CD1 4.33Å; V234-L308 HydrophobicContact CG1-CD2 4.04Å; V234-L308 HydrophobicContact CG1-CG 4.01Å; V234-L308 HydrophobicContact CG2-CD2 4.23Å; V234-L308 HydrophobicContact CG2-CG 3.84Å; V234-K309 HydrophobicContact CG2-CB 4.45Å; V234-S312 WeakPolarHBondContact CG1-OG 3.49Å
235A98.1Very high95.9Very high0 Ų012.2 Ų12.20%06%0.057CC..Hα-helixtrans-58.7-46178.500000112.3I56 C59 E60 L231 N232 G237 V238 G239 L286I56-A235 HydrophobicContact CB-CB 4.13Å; I56-A235 WeakPolarHBondContact O-CB 3.41Å; C59-A235 HydrophobicContact CB-CB 3.68Å; E60-A235 WeakPolarHBondContact CA-O 3.44Å; E60-A235 HydrophobicContact CG-CB 4.23Å; L231-A235 WeakPolarHBondContact O-CB 3.42Å; L231-A235 PolarHBondContact O-N 3.35Å; N232-A235 PolarHBondContact O-N 3.12Å; A235-G237 VanDerWaalsContact C-N 3.34Å; A235-G237 PolarHBondContact O-N 2.91Å; A235-V238 PolarHBondContact O-N 2.92Å; A235-G239 PolarHBondContact O-N 3.38Å; A235-L286 HydrophobicContact CB-CD1 4.11Å; A235-L286 HydrophobicContact CB-CD2 3.97Å
236S97.1Very high96.2Very high3 Ų316 Ų162%0.0218%0.084CC..Hα-helixtrans-55.7-49.6173.7176.10000111.5G63 N232 T233 V234 V238 G239 V240G63-S236 VanDerWaalsContact CA-OG 3.29Å; G63-S236 WeakPolarHBondContact CA-OG 3.41Å; N232-S236 PolarHBondContact O-N 3.22Å; T233-S236 PolarHBondContact O-N 3.34Å; V234-S236 PolarHBondContact O-N 3.41Å; S236-V238 PolarHBondContact O-N 3.33Å; S236-G239 PolarHBondContact O-N 2.95Å; S236-G239 VanDerWaalsContact O-N 3.15Å; S236-V240 WeakPolarHBondContact O-CG2 3.48Å; S236-V240 PolarHBondContact O-N 3.31Å
237G98.1Very high96.4Very high0 Ų019.6 Ų19.60%010%0.098CC..Hα-helixtrans-59.2-42.7177.400000114.4T233 V234 A235 G239 V240 L241 V316T233-G237 PolarHBondContact O-N 2.86Å; T233-G237 VanDerWaalsContact O-N 3.09Å; V234-G237 PolarHBondContact O-N 3.39Å; A235-G237 VanDerWaalsContact C-N 3.34Å; A235-G237 PolarHBondContact O-N 2.91Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G237-V240 PolarHBondContact O-N 3.21Å; G237-L241 WeakPolarHBondContact O-CB 3.16Å; G237-L241 PolarHBondContact O-N 3.45Å; G237-V316 VanDerWaalsContact CA-CG2 3.42Å
238V98.6Very high96.8Very high0 Ų018.7 Ų18.70%09%0.092CC..Hα-helixtrans-60.4-44.9174.4168.40000110.6E60 V234 A235 S236 R242 L279 M282 E283 L286E60-V238 HydrophobicContact CG-CG1 4.45Å; E60-V238 VanDerWaalsContact OE1-CG1 3.31Å; E60-V238 WeakPolarHBondContact OE1-CG1 3.33Å; V234-V238 HydrophobicContact CG1-CG2 4.32Å; V234-V238 WeakPolarHBondContact O-CG2 3.15Å; V234-V238 PolarHBondContact O-N 3.22Å; A235-V238 PolarHBondContact O-N 2.92Å; S236-V238 PolarHBondContact O-N 3.33Å; V238-R242 WeakPolarHBondContact O-CB 3.43Å; V238-R242 PolarHBondContact O-N 2.92Å; V238-L279 HydrophobicContact CB-CD1 4.32Å; V238-L279 HydrophobicContact CG1-CD1 3.98Å; V238-L279 HydrophobicContact CG2-CD1 4.41Å; V238-M282 HydrophobicContact CG2-CB 3.75Å; V238-M282 HydrophobicContact CG2-CE 3.79Å; V238-E283 HydrophobicContact CG1-CB 4.42Å; V238-L286 HydrophobicContact CB-CD2 4.3Å; V238-L286 HydrophobicContact CG2-CD2 4.02Å
239G98.1Very high97.3Very high5 Ų518.7 Ų18.75%0.05210%0.098CC..Hα-helixtrans-56.5-52.6175.700000113.1E60 A235 S236 G237 R242 Y243E60-G239 VanDerWaalsContact O-CA 3.23Å; E60-G239 WeakPolarHBondContact O-CA 3.48Å; A235-G239 PolarHBondContact O-N 3.38Å; S236-G239 PolarHBondContact O-N 2.95Å; S236-G239 VanDerWaalsContact O-N 3.15Å; G237-G239 VanDerWaalsContact C-N 3.34Å; G239-R242 PolarHBondContact O-N 3.17Å; G239-Y243 PolarHBondContact O-N 2.81Å; G239-Y243 VanDerWaalsContact O-N 3.08Å
240V98.1Very high97.5Very high6 Ų623 Ų234%0.03612%0.118CC..Hα-helixtrans-61-53.4-179.9171.40000111.6G63 S236 G237 R242 Y243 L244 I320 F341G63-V240 WeakPolarHBondContact O-CG2 3.36Å; S236-V240 WeakPolarHBondContact O-CG2 3.48Å; S236-V240 PolarHBondContact O-N 3.31Å; G237-V240 PolarHBondContact O-N 3.21Å; V240-R242 VanDerWaalsContact C-N 3.32Å; V240-R242 PolarHBondContact O-N 2.97Å; V240-Y243 PolarHBondContact O-N 3.11Å; V240-L244 HydrophobicContact CG1-CD1 4.04Å; V240-L244 PolarHBondContact O-N 3.26Å; V240-I320 HydrophobicContact CG1-CD1 3.77Å; V240-I320 HydrophobicContact CG1-CG1 4.28Å; V240-F341 HydrophobicContact CB-CD1 4.36Å; V240-F341 HydrophobicContact CG1-CB 3.91Å; V240-F341 HydrophobicContact CG1-CD1 3.68Å; V240-F341 HydrophobicContact CG1-CD2 4.4Å; V240-F341 HydrophobicContact CG1-CE1 4.3Å; V240-F341 HydrophobicContact CG1-CG 3.76Å; V240-F341 HydrophobicContact CG2-CD1 3.79Å; V240-F341 HydrophobicContact CG2-CE1 3.86Å
241L98.3Very high97.6Very high1 Ų124.3 Ų24.31%0.00512%0.124CC..Hα-helixtrans-62.2-40.6-179.2-81.8-172.3000111.8G237 Y243 L244 L245 I275 L279 M282 V316 I320G237-L241 WeakPolarHBondContact O-CB 3.16Å; G237-L241 PolarHBondContact O-N 3.45Å; L241-Y243 VanDerWaalsContact C-N 3.34Å; L241-Y243 PolarHBondContact O-N 3.22Å; L241-L244 PolarHBondContact O-N 3.45Å; L241-L245 WeakPolarHBondContact O-CB 3.26Å; L241-L245 PolarHBondContact O-N 3.35Å; L241-I275 HydrophobicContact CD2-CG2 4.47Å; L241-L279 HydrophobicContact CB-CD1 4.05Å; L241-M282 HydrophobicContact CD1-CE 4.01Å; L241-M282 HydrophobicContact CD1-SD 3.79Å; L241-V316 HydrophobicContact CD1-CB 4.42Å; L241-V316 HydrophobicContact CD1-CG2 3.92Å; L241-V316 HydrophobicContact CG-CB 4.36Å; L241-V316 HydrophobicContact CG-CG1 4.42Å; L241-V316 HydrophobicContact CG-CG2 4.03Å; L241-I320 HydrophobicContact CD2-CG1 4Å
242R97.7Very high97.7Very high67 Ų6724.4 Ų24.425%0.25313%0.125SC..Hα-helixtrans-60.8-44.9177.4-171.1-174.8-62.7116.8-12.6111.5E60 V238 G239 V240 S246 L279 E283E60-R242 IonicContact OE1-CZ 3.92Å; E60-R242 IonicContact OE1-NH1 3.52Å; E60-R242 PolarHBondContact OE1-NH1 2.98Å; E60-R242 IonicContact OE1-NH2 2.7Å; E60-R242 PolarHBondContact OE1-NH2 2.93Å; V238-R242 WeakPolarHBondContact O-CB 3.43Å; V238-R242 PolarHBondContact O-N 2.92Å; G239-R242 PolarHBondContact O-N 3.17Å; V240-R242 VanDerWaalsContact C-N 3.32Å; V240-R242 PolarHBondContact O-N 2.97Å; R242-S246 PolarHBondContact O-N 2.92Å; R242-S246 PolarHBondContact O-OG 3.25Å; R242-L279 HydrophobicContact CB-CD2 4.05Å; R242-L279 HydrophobicContact CG-CD2 4.46Å; R242-E283 IonicContact CZ-OE1 2.71Å; R242-E283 IonicContact NE-OE1 3.17Å; R242-E283 IonicContact NH2-OE1 2.98Å; R242-E283 PolarHBondContact NH2-OE1 3.05Å
243Y97.5Very high97.8Very high62 Ų6229.1 Ų29.124%0.24315%0.15CC..Hα-helixtrans-63.4-50177.9175.2-96.1000111.8L10 L64 G239 V240 L241 L245 S246 Y247 P337 F341L10-Y243 HydrophobicContact CD1-CD2 4.31Å; L10-Y243 HydrophobicContact CD1-CE2 3.95Å; L10-Y243 HydrophobicContact CD2-CD2 4.15Å; L10-Y243 HydrophobicContact CD2-CE2 3.6Å; L10-Y243 HydrophobicContact CG-CE2 4.46Å; L64-Y243 HydrophobicContact CD2-CG 4Å; G239-Y243 PolarHBondContact O-N 2.81Å; G239-Y243 VanDerWaalsContact O-N 3.08Å; V240-Y243 PolarHBondContact O-N 3.11Å; L241-Y243 VanDerWaalsContact C-N 3.34Å; L241-Y243 PolarHBondContact O-N 3.22Å; Y243-L245 PolarHBondContact O-N 2.97Å; Y243-S246 PolarHBondContact O-N 2.95Å; Y243-Y247 PolarHBondContact O-N 3.15Å; Y243-P337 HydrophobicContact CE1-CB 3.83Å; Y243-P337 HydrophobicContact CE1-CG 3.94Å; Y243-F341 AromaticContact CD1-CE2 3.64Å; Y243-F341 HydrophobicContact CD1-CE2 3.64Å; Y243-F341 HydrophobicContact CD1-CZ 4.16Å; Y243-F341 AromaticContact CE1-CE2 3.76Å; Y243-F341 HydrophobicContact CE1-CE2 3.76Å; Y243-F341 HydrophobicContact CE1-CZ 4.41Å
244L97.6Very high97.9Very high0 Ų034.9 Ų34.90%018%0.176CC..Hα-helixtrans-67.8-34.2-178.8-79.7179.6000113.2V240 L241 Y247 T248 I320 P337 Y338 F341V240-L244 HydrophobicContact CG1-CD1 4.04Å; V240-L244 PolarHBondContact O-N 3.26Å; L241-L244 PolarHBondContact O-N 3.45Å; L244-Y247 PolarHBondContact O-N 3.46Å; L244-T248 VanDerWaalsContact O-CB 3.29Å; L244-T248 WeakPolarHBondContact O-CB 3.46Å; L244-T248 PolarHBondContact O-N 2.91Å; L244-T248 PolarHBondContact O-OG1 2.93Å; L244-I320 HydrophobicContact CD1-CB 4.32Å; L244-I320 HydrophobicContact CD1-CD1 4.45Å; L244-I320 HydrophobicContact CD1-CG1 3.76Å; L244-I320 HydrophobicContact CD1-CG2 3.89Å; L244-P337 HydrophobicContact CD2-CB 4.02Å; L244-P337 HydrophobicContact CD2-CG 3.91Å; L244-Y338 HydrophobicContact CD2-CD1 3.6Å; L244-Y338 HydrophobicContact CD2-CE1 3.91Å; L244-Y338 HydrophobicContact CD2-CG 4.37Å; L244-F341 HydrophobicContact CD1-CB 3.79Å; L244-F341 HydrophobicContact CD1-CD2 3.74Å; L244-F341 HydrophobicContact CD1-CG 4.05Å; L244-F341 HydrophobicContact CD2-CD2 3.79Å; L244-F341 HydrophobicContact CD2-CE2 4.29Å; L244-F341 HydrophobicContact CG-CD2 3.74Å; L244-F341 HydrophobicContact CG-CE2 4.29Å; L244-F341 HydrophobicContact CG-CG 4.48Å
245L97.6Very high97.8Very high26 Ų2640.7 Ų40.714%0.13620%0.198CC..Hα-helixtrans-62.9-43.9176.9178.362.5000111.1L241 Y243 T248 A249 L272 I275 V276 L279L241-L245 WeakPolarHBondContact O-CB 3.26Å; L241-L245 PolarHBondContact O-N 3.35Å; Y243-L245 PolarHBondContact O-N 2.97Å; L245-T248 PolarHBondContact O-N 3.15Å; L245-A249 VanDerWaalsContact O-CB 3.28Å; L245-A249 WeakPolarHBondContact O-CB 3.33Å; L245-A249 PolarHBondContact O-N 2.9Å; L245-L272 HydrophobicContact CD1-CD2 4.21Å; L245-I275 HydrophobicContact CD1-CB 4.37Å; L245-I275 HydrophobicContact CD1-CG2 4.01Å; L245-V276 HydrophobicContact CD1-CG2 4.07Å; L245-V276 HydrophobicContact CD2-CB 4.5Å; L245-V276 HydrophobicContact CD2-CG2 3.65Å; L245-V276 HydrophobicContact CG-CG2 4.43Å; L245-L279 HydrophobicContact CD2-CD2 3.96Å
246S97.2Very high97.8Very high82 Ų8245.5 Ų45.557%0.57322%0.22SC*.Hα-helixtrans-61.8-44174.2-61.20000112R242 Y243 T248 A249 E250R242-S246 PolarHBondContact O-N 2.92Å; R242-S246 PolarHBondContact O-OG 3.25Å; Y243-S246 PolarHBondContact O-N 2.95Å; S246-T248 PolarHBondContact O-N 3.02Å; S246-A249 PolarHBondContact O-N 3.49Å; S246-E250 PolarHBondContact O-N 3.02Å; S246-E250 VanDerWaalsContact O-N 3.16Å
247Y96.8Very high97.8Very high79 Ų7949 Ų4931%0.3124%0.236SC..Hα-helixtrans-64.4-39.5178.3-170.6-93.8000112.3Y243 L244 H251 F330 P337 Y338Y243-Y247 PolarHBondContact O-N 3.15Å; L244-Y247 PolarHBondContact O-N 3.46Å; Y247-H251 PolarHBondContact O-N 3.04Å; Y247-H251 VanDerWaalsContact O-N 3.16Å; Y247-F330 HydrophobicContact CE1-CE1 4.26Å; Y247-P337 HydrophobicContact CD1-CG 4Å; Y247-P337 HydrophobicContact CD2-CG 4.36Å; Y247-P337 HydrophobicContact CE1-CG 4.01Å; Y247-P337 HydrophobicContact CE2-CG 4.35Å; Y247-P337 HydrophobicContact CG-CG 4.19Å; Y247-Y338 HydrophobicContact CD1-CE1 4.08Å; Y247-Y338 AromaticContact CD1-CE2 3.92Å; Y247-Y338 HydrophobicContact CD1-CE2 3.92Å; Y247-Y338 AromaticContact CD1-CZ 3.49Å; Y247-Y338 VanDerWaalsContact CD1-CZ 3.49Å; Y247-Y338 VanDerWaalsContact CD1-OH 3.24Å; Y247-Y338 WeakPolarHBondContact CD1-OH 3.23Å; Y247-Y338 HydrophobicContact CE1-CD2 4.49Å; Y247-Y338 AromaticContact CE1-CE2 3.62Å; Y247-Y338 HydrophobicContact CE1-CE2 3.62Å; Y247-Y338 AromaticContact CE1-CZ 3.7Å
248T98.3Very high97.8Very high0 Ų058 Ų580%028%0.276CS..Hα-helixtrans-71.4-39.7178.2-52.90000111.7L244 L245 S246 E250 H251 C252 L272 C323 L326 Y338L244-T248 VanDerWaalsContact O-CB 3.29Å; L244-T248 WeakPolarHBondContact O-CB 3.46Å; L244-T248 PolarHBondContact O-N 2.91Å; L244-T248 PolarHBondContact O-OG1 2.93Å; L245-T248 PolarHBondContact O-N 3.15Å; S246-T248 PolarHBondContact O-N 3.02Å; T248-E250 VanDerWaalsContact C-N 3.34Å; T248-E250 PolarHBondContact O-N 3.49Å; T248-H251 WeakPolarHBondContact O-CB 2.97Å; T248-H251 PolarHBondContact O-N 3.25Å; T248-C252 PolarHBondContact O-N 3.48Å; T248-C252 PolarHBondContact O-SG 3.45Å; T248-L272 HydrophobicContact CG2-CD2 4.37Å; T248-C323 HydrophobicContact CG2-CB 4.26Å; T248-C323 WeakPolarHBondContact OG1-CB 3.49Å; T248-C323 PolarHBondContact OG1-SG 3.47Å; T248-C323 VanDerWaalsContact OG1-SG 3.35Å; T248-L326 HydrophobicContact CG2-CB 3.88Å; T248-L326 HydrophobicContact CG2-CD1 3.85Å; T248-Y338 WeakPolarHBondContact OG1-CE1 3.19Å; T248-Y338 PolarHBondContact OG1-OH 3.42Å
249A98.2Very high97.7Very high37 Ų3761.8 Ų61.831%0.30631%0.314SS..Hα-helixtrans-60.5-44.8176.500000111.1L245 S246 H251 C252 L253L245-A249 VanDerWaalsContact O-CB 3.28Å; L245-A249 WeakPolarHBondContact O-CB 3.33Å; L245-A249 PolarHBondContact O-N 2.9Å; S246-A249 PolarHBondContact O-N 3.49Å; A249-H251 PolarHBondContact O-N 3.23Å; A249-C252 PolarHBondContact O-N 3.4Å; A249-C252 VanDerWaalsContact O-N 3.12Å; A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.15Å; A249-L253 VanDerWaalsContact O-N 3.08Å
250E97.9Very high97.7Very high99 Ų9965.1 Ų65.146%0.46333%0.328SS..Hα-helixtrans-59.4-46.4174.4-173.559-146.600111.3S246 T248 C252 L253 Q254S246-E250 PolarHBondContact O-N 3.02Å; S246-E250 VanDerWaalsContact O-N 3.16Å; T248-E250 VanDerWaalsContact C-N 3.34Å; T248-E250 PolarHBondContact O-N 3.49Å; E250-C252 VanDerWaalsContact C-N 3.26Å; E250-C252 PolarHBondContact O-N 2.95Å; E250-L253 PolarHBondContact O-N 2.92Å; E250-L253 VanDerWaalsContact O-N 3.15Å; E250-Q254 HydrophobicContact CG-CG 4.35Å; E250-Q254 WeakPolarHBondContact O-CG 3.5Å; E250-Q254 PolarHBondContact O-N 3.27Å; E250-Q254 VanDerWaalsContact OE1-CG 3.23Å; E250-Q254 WeakPolarHBondContact OE1-CG 3.41Å; E250-Q254 PolarHBondContact OE1-NE2 3.23Å
251H97.8Very high97.7Very high34 Ų3466.1 Ų66.116%0.15733%0.334CS..Hα-helixtrans-56.3-41.6174.7-17981.7000112.2Y247 T248 A249 L253 Q254 R255 F330Y247-H251 PolarHBondContact O-N 3.04Å; Y247-H251 VanDerWaalsContact O-N 3.16Å; T248-H251 WeakPolarHBondContact O-CB 2.97Å; T248-H251 PolarHBondContact O-N 3.25Å; A249-H251 PolarHBondContact O-N 3.23Å; H251-L253 VanDerWaalsContact C-N 3.3Å; H251-L253 PolarHBondContact O-N 2.92Å; H251-Q254 PolarHBondContact O-N 3.46Å; H251-R255 WeakPolarHBondContact O-CB 3.31Å; H251-R255 PolarHBondContact O-N 2.99Å; H251-F330 AromaticContact ND1-CD1 3.95Å
252C98.3Very high97.7Very high2 Ų267 Ų671%0.01434%0.339CS..Hα-helixtrans-67.2-30.5-179.1-66.60000113.4T248 A249 E250 I262 G263T248-C252 PolarHBondContact O-N 3.48Å; T248-C252 PolarHBondContact O-SG 3.45Å; A249-C252 PolarHBondContact O-N 3.4Å; A249-C252 VanDerWaalsContact O-N 3.12Å; E250-C252 VanDerWaalsContact C-N 3.26Å; E250-C252 PolarHBondContact O-N 2.95Å; C252-I262 VanDerWaalsContact CA-CG1 3.49Å; C252-I262 HydrophobicContact CB-CD1 4.41Å; C252-I262 HydrophobicContact CB-CG1 4.01Å; C252-I262 WeakPolarHBondContact O-CG1 3.15Å; C252-I262 PolarHBondContact O-N 2.91Å; C252-G263 PolarHBondContact O-N 2.9Å
253L98.2Very high97.7Very high101 Ų10164.5 Ų64.553%0.52933%0.334SS..Hα-helixtrans-78-37.7176-66.8171.3000112.2A249 E250 H251A249-L253 WeakPolarHBondContact O-CG 3.28Å; A249-L253 PolarHBondContact O-N 3.15Å; A249-L253 VanDerWaalsContact O-N 3.08Å; E250-L253 PolarHBondContact O-N 2.92Å; E250-L253 VanDerWaalsContact O-N 3.15Å; H251-L253 VanDerWaalsContact C-N 3.3Å; H251-L253 PolarHBondContact O-N 2.92Å
254Q97.6Very high97.8Very high126 Ų12665.4 Ų65.459%0.58934%0.343SS*.Hα-helixtrans-82.8-34.8-177.1-61.5-56.4-30.400113E250 H251 H256E250-Q254 HydrophobicContact CG-CG 4.35Å; E250-Q254 WeakPolarHBondContact O-CG 3.5Å; E250-Q254 PolarHBondContact O-N 3.27Å; E250-Q254 VanDerWaalsContact OE1-CG 3.23Å; E250-Q254 WeakPolarHBondContact OE1-CG 3.41Å; E250-Q254 PolarHBondContact OE1-NE2 3.23Å; H251-Q254 PolarHBondContact O-N 3.46Å; Q254-H256 PolarHBondContact O-N 3.4Å; Q254-H256 PolarHBondContact O-ND1 3.18Å
255R97.6Very high97.8Very high125 Ų12568.5 Ų68.547%0.47236%0.355SS..  trans-77.8119.6-176-178.458.8178160.9-0.7110.4H251 P261 I262H251-R255 WeakPolarHBondContact O-CB 3.31Å; H251-R255 PolarHBondContact O-N 2.99Å; R255-P261 CarbonylContact O-C 3.54Å; R255-P261 WeakPolarHBondContact O-CA 3.3Å; R255-I262 HydrophobicContact CB-CD1 4.01Å; R255-I262 HydrophobicContact CB-CG1 4.14Å; R255-I262 HydrophobicContact CG-CD1 4.1Å; R255-I262 HydrophobicContact CG-CG1 4.46Å; R255-I262 HydrophobicContact CG-CG2 4.11Å; R255-I262 WeakPolarHBondContact O-CG2 3.48Å; R255-I262 PolarHBondContact O-N 3.4Å
256H97.8Very high97.8Very high100 Ų10071.6 Ų71.646%0.46338%0.379SS..EExtended strand (participates in β ladder)trans-101.7134.4175.5-6962.1000111.5Q254 K260 P261Q254-H256 PolarHBondContact O-N 3.4Å; Q254-H256 PolarHBondContact O-ND1 3.18Å; H256-K260 VanDerWaalsContact CA-O 3.3Å; H256-K260 WeakPolarHBondContact CA-O 3.43Å; H256-P261 WeakPolarHBondContact NE2-CD 3.37Å
257Q97.5Very high97.8Very high78 Ų7874.2 Ų74.236%0.36438%0.376SS..EExtended strand (participates in β ladder)trans-142.3145.3169.1-73.2-63.4-71.600109.2G259 K260 I262 Y265Q257-G259 PolarHBondContact O-N 2.81Å; Q257-G259 VanDerWaalsContact O-N 3.14Å; Q257-K260 PolarHBondContact N-O 3.31Å; Q257-K260 PolarHBondContact O-N 3.2Å; Q257-K260 VanDerWaalsContact O-O 3.06Å; Q257-I262 HydrophobicContact CB-CG2 3.95Å; Q257-I262 HydrophobicContact CG-CG2 4.03Å; Q257-Y265 PolarHBondContact O-OH 3.36Å
258F97Very high97.9Very high188 Ų18871.4 Ų71.483%0.82537%0.367SS*.THydrogen-bonded Turntrans47.440.4-176.5-42.8-84.8000113.5Y265F258-Y265 WeakPolarHBondContact CB-OH 3.33Å; F258-Y265 PolarHBondContact O-OH 2.98Å
259G97.1Very high97.9Very high79 Ų7976.8 Ų76.881%0.81439%0.392SS*.THydrogen-bonded Turntrans89.60.3170.200000117.3Q257Q257-G259 PolarHBondContact O-N 2.81Å; Q257-G259 VanDerWaalsContact O-N 3.14Å
260K97.8Very high97.9Very high75 Ų7580 Ų8033%0.32640%0.401SS..EExtended strand (participates in β ladder)trans-149.3166.2177.763.6177.2-175166.90112.7H256 Q257 D264 Y265H256-K260 VanDerWaalsContact CA-O 3.3Å; H256-K260 WeakPolarHBondContact CA-O 3.43Å; Q257-K260 PolarHBondContact N-O 3.31Å; Q257-K260 PolarHBondContact O-N 3.2Å; Q257-K260 VanDerWaalsContact O-O 3.06Å; K260-D264 HydrophobicContact CD-CB 3.69Å; K260-D264 HydrophobicContact CG-CB 4.31Å; K260-D264 PolarHBondContact NZ-O 2.78Å; K260-Y265 HydrophobicContact CD-CE2 4.43Å; K260-Y265 HydrophobicContact CG-CE2 3.84Å; K260-Y265 WeakPolarHBondContact CG-OH 3.34Å
261P98.3Very high98Very high27 Ų2777.4 Ų77.418%0.17539%0.389CS..EExtended strand (participates in β ladder)trans-51142.1170.6-27.735.7000112R255 H256 G263 D264R255-P261 CarbonylContact O-C 3.54Å; R255-P261 WeakPolarHBondContact O-CA 3.3Å; H256-P261 WeakPolarHBondContact NE2-CD 3.37Å; P261-G263 PolarHBondContact O-N 3.4Å; P261-D264 PolarHBondContact O-N 3.35Å
262I98.2Very high98Very high20 Ų2077.4 Ų77.410%0.10339%0.389CS..G310 helixtrans-67.2-21.9179.364.1172.2000112.2C252 R255 Q257 D264 Y265 V268C252-I262 VanDerWaalsContact CA-CG1 3.49Å; C252-I262 HydrophobicContact CB-CD1 4.41Å; C252-I262 HydrophobicContact CB-CG1 4.01Å; C252-I262 WeakPolarHBondContact O-CG1 3.15Å; C252-I262 PolarHBondContact O-N 2.91Å; R255-I262 HydrophobicContact CB-CD1 4.01Å; R255-I262 HydrophobicContact CB-CG1 4.14Å; R255-I262 HydrophobicContact CG-CD1 4.1Å; R255-I262 HydrophobicContact CG-CG1 4.46Å; R255-I262 HydrophobicContact CG-CG2 4.11Å; R255-I262 WeakPolarHBondContact O-CG2 3.48Å; R255-I262 PolarHBondContact O-N 3.4Å; Q257-I262 HydrophobicContact CB-CG2 3.95Å; Q257-I262 HydrophobicContact CG-CG2 4.03Å; I262-D264 PolarHBondContact O-N 3.15Å; I262-Y265 WeakPolarHBondContact O-CD2 3.19Å; I262-Y265 PolarHBondContact O-N 2.95Å; I262-V268 VanDerWaalsContact O-CB 3.31Å; I262-V268 WeakPolarHBondContact O-CB 3.43Å; I262-V268 WeakPolarHBondContact O-CG1 3.37Å; I262-V268 VanDerWaalsContact O-CG2 3.3Å; I262-V268 WeakPolarHBondContact O-CG2 3.48Å
263G97.9Very high98Very high15 Ų1579.6 Ų79.616%0.15541%0.405CS..G310 helixtrans-58.6-24.4173.100000114.1C252 P261 Y265C252-G263 PolarHBondContact O-N 2.9Å; P261-G263 PolarHBondContact O-N 3.4Å; G263-Y265 VanDerWaalsContact C-N 3.29Å; G263-Y265 PolarHBondContact O-N 3.39Å
264D98Very high98Very high81 Ų8179 Ų7943%0.43340%0.399SS..G310 helixtrans-85.67-175.7-65.1-5.3000113.7K260 P261 I262K260-D264 HydrophobicContact CD-CB 3.69Å; K260-D264 HydrophobicContact CG-CB 4.31Å; K260-D264 PolarHBondContact NZ-O 2.78Å; P261-D264 PolarHBondContact O-N 3.35Å; I262-D264 PolarHBondContact O-N 3.15Å
265Y98.4Very high98.1Very high64 Ų6473.2 Ų73.225%0.25137%0.372SS..SBendtrans-99.8130.4177-65.5-82.5000110.7Q257 F258 K260 I262 G263 R267 V268 E269Q257-Y265 PolarHBondContact O-OH 3.36Å; F258-Y265 WeakPolarHBondContact CB-OH 3.33Å; F258-Y265 PolarHBondContact O-OH 2.98Å; K260-Y265 HydrophobicContact CD-CE2 4.43Å; K260-Y265 HydrophobicContact CG-CE2 3.84Å; K260-Y265 WeakPolarHBondContact CG-OH 3.34Å; I262-Y265 WeakPolarHBondContact O-CD2 3.19Å; I262-Y265 PolarHBondContact O-N 2.95Å; G263-Y265 VanDerWaalsContact C-N 3.29Å; G263-Y265 PolarHBondContact O-N 3.39Å; Y265-R267 PolarHBondContact O-N 2.63Å; Y265-R267 VanDerWaalsContact O-N 3.1Å; Y265-V268 WeakPolarHBondContact O-CA 3.42Å; Y265-V268 VanDerWaalsContact O-CB 3.32Å; Y265-V268 WeakPolarHBondContact O-CB 3.4Å; Y265-V268 PolarHBondContact O-N 3.11Å; Y265-E269 PolarHBondContact O-N 2.89Å
266S98Very high98.1Very high91 Ų9168.5 Ų68.564%0.63636%0.358SS*.Hα-helixtrans-55.6-34.4-176.257.90000114.4V268 E269 E270S266-V268 VanDerWaalsContact C-N 3.29Å; S266-V268 PolarHBondContact O-N 2.61Å; S266-E269 WeakPolarHBondContact O-CB 3.28Å; S266-E269 PolarHBondContact O-N 3.05Å; S266-E270 WeakPolarHBondContact O-CB 3.43Å; S266-E270 PolarHBondContact O-N 3.36Å
267R98Very high98.2Very high137 Ų13763.9 Ų63.952%0.51734%0.336SS..Hα-helixtrans-69.2-27.2175.8-172.155.6175.5153.31.9112.9Y265 E270 K271Y265-R267 PolarHBondContact O-N 2.63Å; Y265-R267 VanDerWaalsContact O-N 3.1Å; R267-E270 VanDerWaalsContact CD-OE2 3.3Å; R267-E270 WeakPolarHBondContact CD-OE2 3.04Å; R267-E270 IonicContact CZ-OE2 3.47Å; R267-E270 IonicContact NE-OE2 2.82Å; R267-E270 IonicContact NH1-OE1 3.29Å; R267-E270 PolarHBondContact NH1-OE1 2.67Å; R267-E270 IonicContact NH1-OE2 3.16Å; R267-E270 PolarHBondContact NH1-OE2 3.12Å; R267-K271 WeakPolarHBondContact O-CG 3.38Å; R267-K271 PolarHBondContact O-N 3.41Å
268V98.5Very high98.2Very high20 Ų2060.6 Ų60.612%0.12132%0.321CS..Hα-helixtrans-76-43.8171.6171.90000109.9I262 Y265 S266 E270 K271 L272 L326I262-V268 VanDerWaalsContact O-CB 3.31Å; I262-V268 WeakPolarHBondContact O-CB 3.43Å; I262-V268 WeakPolarHBondContact O-CG1 3.37Å; I262-V268 VanDerWaalsContact O-CG2 3.3Å; I262-V268 WeakPolarHBondContact O-CG2 3.48Å; Y265-V268 WeakPolarHBondContact O-CA 3.42Å; Y265-V268 VanDerWaalsContact O-CB 3.32Å; Y265-V268 WeakPolarHBondContact O-CB 3.4Å; Y265-V268 PolarHBondContact O-N 3.11Å; S266-V268 VanDerWaalsContact C-N 3.29Å; S266-V268 PolarHBondContact O-N 2.61Å; V268-E270 VanDerWaalsContact C-N 3.3Å; V268-E270 PolarHBondContact O-N 2.92Å; V268-K271 PolarHBondContact O-N 2.89Å; V268-L272 HydrophobicContact CG1-CD1 3.84Å; V268-L272 HydrophobicContact CG1-CG 4.28Å; V268-L272 WeakPolarHBondContact O-CG 3.49Å; V268-L272 PolarHBondContact O-N 3.08Å; V268-L326 HydrophobicContact CB-CD2 4.19Å; V268-L326 HydrophobicContact CG1-CD2 3.83Å; V268-L326 HydrophobicContact CG2-CD2 3.9Å
269E98Very high98.3Very high113 Ų11352.4 Ų52.453%0.52829%0.286SS..Hα-helixtrans-55.8-44.3174.1-63.8177.5154.600111.8Y265 S266 K271 L272 S273Y265-E269 PolarHBondContact O-N 2.89Å; S266-E269 WeakPolarHBondContact O-CB 3.28Å; S266-E269 PolarHBondContact O-N 3.05Å; E269-K271 PolarHBondContact O-N 2.92Å; E269-L272 PolarHBondContact O-N 3.2Å; E269-S273 WeakPolarHBondContact O-CB 3.49Å; E269-S273 PolarHBondContact O-N 3.43Å
270E98.4Very high98.4Very high106 Ų10649.1 Ų49.150%0.49525%0.249SC..Hα-helixtrans-59.4-45.1177.6-172.5-174.6172.800112S266 R267 V268 S273 E274S266-E270 WeakPolarHBondContact O-CB 3.43Å; S266-E270 PolarHBondContact O-N 3.36Å; R267-E270 VanDerWaalsContact CD-OE2 3.3Å; R267-E270 WeakPolarHBondContact CD-OE2 3.04Å; R267-E270 IonicContact CZ-OE2 3.47Å; R267-E270 IonicContact NE-OE2 2.82Å; R267-E270 IonicContact NH1-OE1 3.29Å; R267-E270 PolarHBondContact NH1-OE1 2.67Å; R267-E270 IonicContact NH1-OE2 3.16Å; R267-E270 PolarHBondContact NH1-OE2 3.12Å; V268-E270 VanDerWaalsContact C-N 3.3Å; V268-E270 PolarHBondContact O-N 2.92Å; E270-S273 PolarHBondContact O-N 2.9Å; E270-E274 PolarHBondContact O-N 3.2Å
271K98.6Very high98.4Very high44 Ų4445.5 Ų45.519%0.19123%0.233CC..Hα-helixtrans-65.4-45.7178-76.9177.8173.8-64.20112.3R267 V268 E269 S273 E274 I275 T322 L326R267-K271 WeakPolarHBondContact O-CG 3.38Å; R267-K271 PolarHBondContact O-N 3.41Å; V268-K271 PolarHBondContact O-N 2.89Å; E269-K271 PolarHBondContact O-N 2.92Å; K271-S273 VanDerWaalsContact C-N 3.33Å; K271-E274 PolarHBondContact O-N 3.38Å; K271-I275 WeakPolarHBondContact O-CG1 3.28Å; K271-I275 PolarHBondContact O-N 2.92Å; K271-T322 HydrophobicContact CB-CG2 3.65Å; K271-T322 HydrophobicContact CD-CG2 4.01Å; K271-T322 HydrophobicContact CG-CG2 3.85Å; K271-L326 HydrophobicContact CB-CD1 4.14Å; K271-L326 HydrophobicContact CB-CD2 4.2Å; K271-L326 HydrophobicContact CB-CG 4.43Å; K271-L326 HydrophobicContact CD-CD2 3.79Å; K271-L326 HydrophobicContact CD-CG 4.26Å
272L98.5Very high98.5Very high33 Ų3344.2 Ų44.217%0.17323%0.225CC..Hα-helixtrans-63.5-42.6176.3-70.9172.9000110.8L245 T248 V268 E269 E274 I275 V276 L326L245-L272 HydrophobicContact CD1-CD2 4.21Å; T248-L272 HydrophobicContact CG2-CD2 4.37Å; V268-L272 HydrophobicContact CG1-CD1 3.84Å; V268-L272 HydrophobicContact CG1-CG 4.28Å; V268-L272 WeakPolarHBondContact O-CG 3.49Å; V268-L272 PolarHBondContact O-N 3.08Å; E269-L272 PolarHBondContact O-N 3.2Å; L272-E274 PolarHBondContact O-N 2.89Å; L272-I275 PolarHBondContact O-N 3.37Å; L272-V276 WeakPolarHBondContact O-CG2 3.4Å; L272-V276 PolarHBondContact O-N 2.99Å; L272-L326 HydrophobicContact CD2-CD1 3.71Å; L272-L326 HydrophobicContact CG-CD1 4.02Å
273S98.5Very high98.5Very high49 Ų4945 Ų4534%0.34323%0.228SC..Hα-helixtrans-58.2-48.7176.2-172.80000110.9E269 E270 K271 I275 V276 L277E269-S273 WeakPolarHBondContact O-CB 3.49Å; E269-S273 PolarHBondContact O-N 3.43Å; E270-S273 PolarHBondContact O-N 2.9Å; K271-S273 VanDerWaalsContact C-N 3.33Å; S273-I275 VanDerWaalsContact C-N 3.34Å; S273-I275 PolarHBondContact O-N 3.35Å; S273-V276 PolarHBondContact O-N 2.76Å; S273-L277 WeakPolarHBondContact O-CB 3.42Å; S273-L277 WeakPolarHBondContact O-CD1 3.17Å; S273-L277 WeakPolarHBondContact O-CG 3.35Å; S273-L277 PolarHBondContact O-N 2.77Å
274E98.4Very high98.5Very high88 Ų8844.6 Ų44.641%0.41122%0.223SC..Hα-helixtrans-56.5-46.7178.2-177.9172.3-170.700112.1E270 K271 L272 N278E270-E274 PolarHBondContact O-N 3.2Å; K271-E274 PolarHBondContact O-N 3.38Å; L272-E274 PolarHBondContact O-N 2.89Å; E274-N278 WeakPolarHBondContact CG-ND2 3.18Å; E274-N278 WeakPolarHBondContact O-CB 3.15Å; E274-N278 PolarHBondContact O-N 2.9Å; E274-N278 VanDerWaalsContact O-N 3.09Å; E274-N278 PolarHBondContact O-ND2 2.86Å
275I98.7Very high98.6Very high4 Ų440.7 Ų40.72%0.02120%0.202CC..Hα-helixtrans-62.3-47178.3-60.9160.2000110.8L241 L245 K271 L272 S273 N278 L279 T322L241-I275 HydrophobicContact CD2-CG2 4.47Å; L245-I275 HydrophobicContact CD1-CB 4.37Å; L245-I275 HydrophobicContact CD1-CG2 4.01Å; K271-I275 WeakPolarHBondContact O-CG1 3.28Å; K271-I275 PolarHBondContact O-N 2.92Å; L272-I275 PolarHBondContact O-N 3.37Å; S273-I275 VanDerWaalsContact C-N 3.34Å; S273-I275 PolarHBondContact O-N 3.35Å; I275-N278 PolarHBondContact O-N 3.39Å; I275-L279 WeakPolarHBondContact O-CB 3.09Å; I275-L279 PolarHBondContact O-N 3.43Å; I275-T322 HydrophobicContact CD1-CG2 3.76Å; I275-T322 HydrophobicContact CG1-CG2 4.35Å
276V98.7Very high98.6Very high27 Ų2737.7 Ų37.716%0.16419%0.19CC..Hα-helixtrans-63.1-45.1-178.4176.50000111.3L245 L272 S273 L279 Y280 L506L245-V276 HydrophobicContact CD1-CG2 4.07Å; L245-V276 HydrophobicContact CD2-CB 4.5Å; L245-V276 HydrophobicContact CD2-CG2 3.65Å; L245-V276 HydrophobicContact CG-CG2 4.43Å; L272-V276 WeakPolarHBondContact O-CG2 3.4Å; L272-V276 PolarHBondContact O-N 2.99Å; S273-V276 PolarHBondContact O-N 2.76Å; V276-L279 PolarHBondContact O-N 3.26Å; V276-Y280 WeakPolarHBondContact O-CB 3.4Å; V276-Y280 PolarHBondContact O-N 2.86Å; V276-L506 HydrophobicContact CG1-CD1 4.29Å; V276-L506 HydrophobicContact CG1-CD2 3.57Å
277L98.9Very high98.6Very high3 Ų336.3 Ų36.32%0.01617%0.173CC..Hα-helixtrans-63.1-44-179.4-67.1169.3000111.2S273 Y280 A281 L506 T509 F510 L513S273-L277 WeakPolarHBondContact O-CB 3.42Å; S273-L277 WeakPolarHBondContact O-CD1 3.17Å; S273-L277 WeakPolarHBondContact O-CG 3.35Å; S273-L277 PolarHBondContact O-N 2.77Å; L277-Y280 PolarHBondContact O-N 2.81Å; L277-A281 PolarHBondContact O-N 2.77Å; L277-L506 HydrophobicContact CD2-CB 4.23Å; L277-L506 HydrophobicContact CD2-CD2 3.84Å; L277-L506 WeakPolarHBondContact CD2-O 3.38Å; L277-T509 HydrophobicContact CD1-CG2 3.56Å; L277-T509 HydrophobicContact CD2-CG2 4.16Å; L277-T509 HydrophobicContact CG-CG2 4.5Å; L277-F510 HydrophobicContact CB-CB 4.3Å; L277-F510 HydrophobicContact CB-CD2 4.3Å; L277-F510 HydrophobicContact CD2-CB 4.07Å; L277-L513 HydrophobicContact CD1-CD1 3.97Å
278N98.8Very high98.6Very high9 Ų935.6 Ų35.65%0.04817%0.171CC..Hα-helixtrans-65.5-45176.9-69.7-37.6000111.4E274 I275 Y280 A281 M282 F311 K315E274-N278 WeakPolarHBondContact CG-ND2 3.18Å; E274-N278 WeakPolarHBondContact O-CB 3.15Å; E274-N278 PolarHBondContact O-N 2.9Å; E274-N278 VanDerWaalsContact O-N 3.09Å; E274-N278 PolarHBondContact O-ND2 2.86Å; I275-N278 PolarHBondContact O-N 3.39Å; N278-Y280 VanDerWaalsContact C-N 3.3Å; N278-Y280 PolarHBondContact O-N 3.05Å; N278-A281 PolarHBondContact O-N 3.47Å; N278-M282 WeakPolarHBondContact O-CG 3.29Å; N278-M282 PolarHBondContact O-N 3.06Å; N278-F311 HydrophobicContact CB-CZ 4.31Å; N278-F311 WeakPolarHBondContact OD1-CZ 3.42Å; N278-K315 HydrophobicContact CB-CB 3.87Å; N278-K315 HydrophobicContact CB-CD 4.45Å; N278-K315 HydrophobicContact CB-CG 3.85Å
279L98.8Very high98.6Very high15 Ų1534.8 Ų34.88%0.07917%0.166CC..Hα-helixtrans-59.3-41.3175.9178.459.6000111.8V238 L241 R242 L245 I275 V276 M282 E283V238-L279 HydrophobicContact CB-CD1 4.32Å; V238-L279 HydrophobicContact CG1-CD1 3.98Å; V238-L279 HydrophobicContact CG2-CD1 4.41Å; L241-L279 HydrophobicContact CB-CD1 4.05Å; R242-L279 HydrophobicContact CB-CD2 4.05Å; R242-L279 HydrophobicContact CG-CD2 4.46Å; L245-L279 HydrophobicContact CD2-CD2 3.96Å; I275-L279 WeakPolarHBondContact O-CB 3.09Å; I275-L279 PolarHBondContact O-N 3.43Å; V276-L279 PolarHBondContact O-N 3.26Å; L279-M282 PolarHBondContact O-N 3.28Å; L279-E283 WeakPolarHBondContact O-CB 3.33Å; L279-E283 PolarHBondContact O-N 3.41Å
280Y98.8Very high98.6Very high10 Ų1029.4 Ų29.44%0.03914%0.141CC..Hα-helixtrans-61.8-45175.9-176.5-100.6000111.8V276 L277 N278 S284 C485 R488 E503 L506 T507V276-Y280 WeakPolarHBondContact O-CB 3.4Å; V276-Y280 PolarHBondContact O-N 2.86Å; L277-Y280 PolarHBondContact O-N 2.81Å; N278-Y280 VanDerWaalsContact C-N 3.3Å; N278-Y280 PolarHBondContact O-N 3.05Å; Y280-S284 VanDerWaalsContact O-CB 3.31Å; Y280-S284 WeakPolarHBondContact O-CB 3.45Å; Y280-S284 PolarHBondContact O-N 3.13Å; Y280-S284 PolarHBondContact O-OG 2.86Å; Y280-C485 HydrophobicContact CE1-CB 4.31Å; Y280-R488 VanDerWaalsContact CE2-CZ 3.42Å; Y280-R488 WeakPolarHBondContact OH-CD 3.36Å; Y280-E503 HydrophobicContact CE2-CB 4.28Å; Y280-E503 HydrophobicContact CE2-CG 3.82Å; Y280-E503 VanDerWaalsContact CE2-OE2 3.28Å; Y280-E503 WeakPolarHBondContact CE2-OE2 3.33Å; Y280-E503 PolarHBondContact OH-OE2 3.17Å; Y280-L506 HydrophobicContact CD1-CB 4.13Å; Y280-L506 HydrophobicContact CD2-CD1 3.73Å; Y280-L506 HydrophobicContact CE1-CB 4.46Å; Y280-L506 HydrophobicContact CE2-CD1 4.29Å; Y280-L506 HydrophobicContact CG-CB 4.18Å; Y280-L506 HydrophobicContact CG-CD1 3.94Å; Y280-T507 VanDerWaalsContact CE1-OG1 3.31Å; Y280-T507 WeakPolarHBondContact CE1-OG1 3.28Å
281A98.9Very high98.6Very high0 Ų025.9 Ų25.90%013%0.133CC..Hα-helixtrans-64.6-43.2176.700000112.5L277 N278 S284 G285 F311 F510L277-A281 PolarHBondContact O-N 2.77Å; N278-A281 PolarHBondContact O-N 3.47Å; A281-S284 PolarHBondContact O-N 3.26Å; A281-G285 PolarHBondContact O-N 3.39Å; A281-F311 HydrophobicContact CB-CE1 3.94Å; A281-F311 HydrophobicContact CB-CZ 4.09Å; A281-F510 HydrophobicContact CB-CD1 4.35Å; A281-F510 HydrophobicContact CB-CD2 4.02Å; A281-F510 HydrophobicContact CB-CE1 3.91Å; A281-F510 HydrophobicContact CB-CE2 3.55Å; A281-F510 HydrophobicContact CB-CG 4.4Å; A281-F510 HydrophobicContact CB-CZ 3.49Å; A281-F510 VanDerWaalsContact CB-CZ 3.49Å
282M98.8Very high98.5Very high0 Ų025 Ų250%013%0.13CC..Hα-helixtrans-58.6-51.4175.7-67.4163.45700111.4V238 L241 N278 L279 S284 G285 L286 F311 S312 K315 V316V238-M282 HydrophobicContact CG2-CB 3.75Å; V238-M282 HydrophobicContact CG2-CE 3.79Å; L241-M282 HydrophobicContact CD1-CE 4.01Å; L241-M282 HydrophobicContact CD1-SD 3.79Å; N278-M282 WeakPolarHBondContact O-CG 3.29Å; N278-M282 PolarHBondContact O-N 3.06Å; L279-M282 PolarHBondContact O-N 3.28Å; M282-S284 VanDerWaalsContact C-N 3.31Å; M282-S284 PolarHBondContact O-N 2.95Å; M282-G285 PolarHBondContact O-N 3.15Å; M282-L286 VanDerWaalsContact O-CB 3.23Å; M282-L286 WeakPolarHBondContact O-CB 3.35Å; M282-L286 PolarHBondContact O-N 3.19Å; M282-F311 HydrophobicContact CG-CD1 3.91Å; M282-F311 HydrophobicContact CG-CE1 3.78Å; M282-S312 WeakPolarHBondContact CG-OG 3.37Å; M282-K315 HydrophobicContact SD-CB 4.12Å; M282-V316 HydrophobicContact CE-CG2 3.36Å; M282-V316 HydrophobicContact SD-CG2 4.31Å
283E98.5Very high98.4Very high37 Ų3724.1 Ų24.117%0.17313%0.125CC..Hα-helixtrans-62.3-40.1179.9-174.8-175.3-120.900111.3V238 R242 L279 L286 F287 R488V238-E283 HydrophobicContact CG1-CB 4.42Å; R242-E283 IonicContact CZ-OE1 2.71Å; R242-E283 IonicContact NE-OE1 3.17Å; R242-E283 IonicContact NH2-OE1 2.98Å; R242-E283 PolarHBondContact NH2-OE1 3.05Å; L279-E283 WeakPolarHBondContact O-CB 3.33Å; L279-E283 PolarHBondContact O-N 3.41Å; E283-L286 PolarHBondContact O-N 3.38Å; E283-F287 HydrophobicContact CG-CD2 3.72Å; E283-F287 HydrophobicContact CG-CE2 3.75Å; E283-F287 VanDerWaalsContact O-CD2 3.3Å; E283-F287 WeakPolarHBondContact O-CD2 3.24Å; E283-F287 PolarHBondContact O-N 3.17Å; E283-F287 VanDerWaalsContact O-N 3.1Å; E283-R488 IonicContact OE2-CZ 3.42Å; E283-R488 IonicContact OE2-NH1 2.77Å; E283-R488 PolarHBondContact OE2-NH1 2.99Å; E283-R488 IonicContact OE2-NH2 2.71Å; E283-R488 PolarHBondContact OE2-NH2 3.49Å
284S98.8Very high98.3Very high5 Ų524 Ų244%0.03512%0.121CC..Hα-helixtrans-63.2-46.9178.1-550000111.8Y280 A281 M282 Y288 I484 R488Y280-S284 VanDerWaalsContact O-CB 3.31Å; Y280-S284 WeakPolarHBondContact O-CB 3.45Å; Y280-S284 PolarHBondContact O-N 3.13Å; Y280-S284 PolarHBondContact O-OG 2.86Å; A281-S284 PolarHBondContact O-N 3.26Å; M282-S284 VanDerWaalsContact C-N 3.31Å; M282-S284 PolarHBondContact O-N 2.95Å; S284-Y288 WeakPolarHBondContact O-CB 3.38Å; S284-Y288 PolarHBondContact O-N 3.38Å; S284-I484 WeakPolarHBondContact O-CG2 3.27Å; S284-R488 WeakPolarHBondContact OG-CD 3.16Å; S284-R488 PolarHBondContact OG-NH1 3.45Å
285G98.8Very high98.2Very high0 Ų023.4 Ų23.40%013%0.131CC..Hα-helixtrans-62.6-46.317500000112.4A281 M282 F287 Y288 F289A281-G285 PolarHBondContact O-N 3.39Å; M282-G285 PolarHBondContact O-N 3.15Å; G285-F287 PolarHBondContact O-N 3.2Å; G285-Y288 PolarHBondContact O-N 3.35Å; G285-F289 WeakPolarHBondContact O-CD2 3.4Å; G285-F289 PolarHBondContact O-N 3.48Å
286L98.6Very high98.1Very high0 Ų027.4 Ų27.40%015%0.149CC..Hα-helixtrans-55.1-52.2-178.5177.363000111.7I56 E60 L231 V234 A235 V238 M282 E283 S290I56-L286 HydrophobicContact CB-CD1 4.24Å; I56-L286 HydrophobicContact CD1-CD1 3.67Å; I56-L286 HydrophobicContact CD1-CD2 4.12Å; I56-L286 HydrophobicContact CD1-CG 3.52Å; I56-L286 HydrophobicContact CG2-CD1 4.31Å; E60-L286 HydrophobicContact CG-CD2 4.48Å; L231-L286 HydrophobicContact CD2-CD1 3.86Å; V234-L286 HydrophobicContact CB-CD1 4.25Å; V234-L286 HydrophobicContact CG1-CB 4.07Å; V234-L286 HydrophobicContact CG1-CD1 4.04Å; V234-L286 HydrophobicContact CG1-CG 4.43Å; A235-L286 HydrophobicContact CB-CD1 4.11Å; A235-L286 HydrophobicContact CB-CD2 3.97Å; V238-L286 HydrophobicContact CB-CD2 4.3Å; V238-L286 HydrophobicContact CG2-CD2 4.02Å; M282-L286 VanDerWaalsContact O-CB 3.23Å; M282-L286 WeakPolarHBondContact O-CB 3.35Å; M282-L286 PolarHBondContact O-N 3.19Å; E283-L286 PolarHBondContact O-N 3.38Å; L286-S290 WeakPolarHBondContact O-CB 3.37Å; L286-S290 PolarHBondContact O-N 2.79Å; L286-S290 PolarHBondContact O-OG 3.15Å
287F98.4Very high97.7Very high63 Ų6331.3 Ų31.328%0.27618%0.175SC..Hα-helixtrans-78-26.8-178.1-74.8-65.6000114T53 I56 R57 E60 E283 G285 S290 G291T53-F287 HydrophobicContact CG2-CD1 4.08Å; T53-F287 HydrophobicContact CG2-CE1 4.24Å; I56-F287 HydrophobicContact CD1-CD1 3.8Å; I56-F287 HydrophobicContact CD1-CE1 3.7Å; I56-F287 HydrophobicContact CD1-CZ 4.4Å; R57-F287 HydrophobicContact CG-CE1 3.51Å; R57-F287 HydrophobicContact CG-CZ 3.78Å; E60-F287 WeakPolarHBondContact OE2-CZ 3.23Å; E283-F287 HydrophobicContact CG-CD2 3.72Å; E283-F287 HydrophobicContact CG-CE2 3.75Å; E283-F287 VanDerWaalsContact O-CD2 3.3Å; E283-F287 WeakPolarHBondContact O-CD2 3.24Å; E283-F287 PolarHBondContact O-N 3.17Å; E283-F287 VanDerWaalsContact O-N 3.1Å; G285-F287 PolarHBondContact O-N 3.2Å; F287-S290 PolarHBondContact O-OG 3.25Å; F287-G291 PolarHBondContact O-N 3.28Å; F287-G291 VanDerWaalsContact O-N 3.1Å
288Y98.4Very high97.2Very high122 Ų12237 Ų3748%0.47822%0.215SC..Hα-helixtrans-63.9-51.7172.4176.3-109.8000110.8S284 G285 L292 I484S284-Y288 WeakPolarHBondContact O-CB 3.38Å; S284-Y288 PolarHBondContact O-N 3.38Å; G285-Y288 PolarHBondContact O-N 3.35Å; Y288-L292 HydrophobicContact CE1-CD2 4.39Å; Y288-L292 VanDerWaalsContact O-CB 3.32Å; Y288-L292 WeakPolarHBondContact O-CB 3.49Å; Y288-L292 PolarHBondContact O-N 2.67Å; Y288-I484 HydrophobicContact CD1-CD1 3.85Å; Y288-I484 HydrophobicContact CD1-CG1 3.9Å; Y288-I484 HydrophobicContact CD1-CG2 4.43Å; Y288-I484 HydrophobicContact CE1-CD1 4.38Å; Y288-I484 HydrophobicContact CE1-CG1 4.24Å; Y288-I484 HydrophobicContact CG-CG1 4.42Å; Y288-I484 HydrophobicContact CG-CG2 4.19Å
289F98.4Very high97Very high3 Ų341.6 Ų41.61%0.01323%0.232CC..Hα-helixtrans-72.9-35.9-178.3-63-54.2000113.2L231 G285 L292 L293 L301 E304 L305 L308 L480 I484L231-F289 HydrophobicContact CD2-CB 4.24Å; G285-F289 WeakPolarHBondContact O-CD2 3.4Å; G285-F289 PolarHBondContact O-N 3.48Å; F289-L292 PolarHBondContact O-N 3.29Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 2.88Å; F289-L301 HydrophobicContact CB-CD1 4.27Å; F289-L301 HydrophobicContact CD1-CD1 4.09Å; F289-L301 HydrophobicContact CD1-CD2 4.29Å; F289-E304 HydrophobicContact CD1-CB 4.25Å; F289-E304 HydrophobicContact CE1-CB 3.52Å; F289-E304 HydrophobicContact CE1-CG 3.88Å; F289-E304 HydrophobicContact CE2-CB 4.2Å; F289-E304 HydrophobicContact CZ-CB 3.51Å; F289-E304 HydrophobicContact CZ-CG 4.05Å; F289-L305 HydrophobicContact CB-CD2 3.67Å; F289-L305 HydrophobicContact CD2-CD2 3.82Å; F289-L305 HydrophobicContact CG-CD2 3.85Å; F289-L308 HydrophobicContact CD2-CD2 3.73Å; F289-L308 HydrophobicContact CE2-CB 4.25Å; F289-L308 HydrophobicContact CE2-CD2 4.13Å; F289-L480 HydrophobicContact CZ-CD1 4.26Å; F289-L480 HydrophobicContact CZ-CD2 4.13Å; F289-L480 HydrophobicContact CZ-CG 4.43Å; F289-I484 HydrophobicContact CE1-CD1 4.31Å; F289-I484 HydrophobicContact CE2-CD1 3.78Å; F289-I484 HydrophobicContact CZ-CD1 3.47Å; F289-I484 VanDerWaalsContact CZ-CD1 3.47Å
290S97.7Very high96.6Very high0 Ų046.4 Ų46.40%026%0.258CS..Hα-helixtrans-63.5-43.717576.30000111.6T53 I56 L286 F287 L292 L293 D294T53-S290 VanDerWaalsContact OG1-C 3.3Å; T53-S290 WeakPolarHBondContact OG1-CB 3.5Å; T53-S290 PolarHBondContact OG1-O 2.9Å; T53-S290 PolarHBondContact OG1-OG 3.42Å; I56-S290 VanDerWaalsContact CD1-CB 3.45Å; I56-S290 VanDerWaalsContact CD1-OG 3.31Å; I56-S290 WeakPolarHBondContact CD1-OG 3.36Å; L286-S290 WeakPolarHBondContact O-CB 3.37Å; L286-S290 PolarHBondContact O-N 2.79Å; L286-S290 PolarHBondContact O-OG 3.15Å; F287-S290 PolarHBondContact O-OG 3.25Å; S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.24Å; S290-L293 PolarHBondContact O-N 3.38Å; S290-D294 VanDerWaalsContact O-CG 3.25Å; S290-D294 PolarHBondContact O-N 3.49Å
291G97.9Very high96.4Very high32 Ų3246.1 Ų46.133%0.3326%0.257SS..Hα-helixtrans-65.6-35.1176.700000112.2T53 F287 D294 A295T53-G291 PolarHBondContact OG1-N 3.08Å; F287-G291 PolarHBondContact O-N 3.28Å; F287-G291 VanDerWaalsContact O-N 3.1Å; G291-D294 PolarHBondContact O-N 3.12Å; G291-A295 WeakPolarHBondContact O-CB 3.45Å; G291-A295 PolarHBondContact O-N 3.41Å
292L97.2Very high96.2Very high26 Ų2647.2 Ų47.214%0.13627%0.265CS..Hα-helixtrans-67.7-40.7175.6-17456.9000112.3Y288 F289 S290 A295 Q296 L301Y288-L292 HydrophobicContact CE1-CD2 4.39Å; Y288-L292 VanDerWaalsContact O-CB 3.32Å; Y288-L292 WeakPolarHBondContact O-CB 3.49Å; Y288-L292 PolarHBondContact O-N 2.67Å; F289-L292 PolarHBondContact O-N 3.29Å; S290-L292 VanDerWaalsContact C-N 3.3Å; S290-L292 PolarHBondContact O-N 3.24Å; L292-A295 PolarHBondContact O-N 3.29Å; L292-Q296 WeakPolarHBondContact O-CA 3.3Å; L292-Q296 WeakPolarHBondContact O-CB 3.31Å; L292-Q296 PolarHBondContact O-N 3.03Å; L292-L301 HydrophobicContact CD2-CD1 4.24Å; L292-L301 HydrophobicContact CD2-CD2 3.97Å; L292-L301 HydrophobicContact CG-CD1 4.48Å
293L95.6Very high96Very high14 Ų1448.9 Ų48.97%0.07327%0.273CS..Hα-helixtrans-67.8-35.1173.6-73.6173.2000112.5T52 L228 L231 F289 S290 A295 Q296 P297 L301 L305T52-L293 HydrophobicContact CG2-CB 4.41Å; T52-L293 HydrophobicContact CG2-CD1 4.16Å; L228-L293 HydrophobicContact CD2-CD1 3.93Å; L231-L293 HydrophobicContact CD1-CD1 3.61Å; F289-L293 WeakPolarHBondContact O-CG 3.23Å; F289-L293 PolarHBondContact O-N 2.88Å; S290-L293 PolarHBondContact O-N 3.38Å; L293-A295 VanDerWaalsContact C-N 3.3Å; L293-A295 PolarHBondContact O-N 2.85Å; L293-Q296 CarbonylContact O-C 3.58Å; L293-Q296 VanDerWaalsContact O-C 3.3Å; L293-Q296 PolarHBondContact O-N 3.18Å; L293-P297 WeakPolarHBondContact O-CA 3.09Å; L293-P297 WeakPolarHBondContact O-CD 3.5Å; L293-P297 WeakPolarHBondContact O-CG 3.3Å; L293-P297 VanDerWaalsContact O-N 3.09Å; L293-L301 HydrophobicContact CD1-CD1 4.3Å; L293-L301 HydrophobicContact CD2-CD1 3.74Å; L293-L301 HydrophobicContact CD2-CG 4.41Å; L293-L301 HydrophobicContact CG-CD1 3.68Å; L293-L305 HydrophobicContact CD1-CD1 4.43Å
294D96.5Very high96Very high47 Ų4749.8 Ų49.825%0.25128%0.278SS..Hα-helixtrans-64.7-37.5173.9-70-20.6000111.7N51 T52 T53 S290 G291N51-D294 WeakPolarHBondContact CB-OD1 3.32Å; N51-D294 PolarHBondContact ND2-OD2 3.23Å; T52-D294 WeakPolarHBondContact CA-OD1 3.18Å; T52-D294 WeakPolarHBondContact CB-OD1 3.44Å; T52-D294 PolarHBondContact N-OD1 3.47Å; T52-D294 PolarHBondContact OG1-OD1 3.16Å; T52-D294 VanDerWaalsContact OG1-OD1 3.13Å; T53-D294 WeakPolarHBondContact CB-OD2 3.28Å; T53-D294 PolarHBondContact N-OD1 3Å; T53-D294 PolarHBondContact N-OD2 3.13Å; T53-D294 PolarHBondContact OG1-OD2 3.21Å; S290-D294 VanDerWaalsContact O-CG 3.25Å; S290-D294 PolarHBondContact O-N 3.49Å; G291-D294 PolarHBondContact O-N 3.12Å
295A97.5Very high95.9Very high75 Ų7549.6 Ų49.662%0.6228%0.276SS*.Hα-helixtrans-79.4-32.3177.300000113.2G291 L292 L293G291-A295 WeakPolarHBondContact O-CB 3.45Å; G291-A295 PolarHBondContact O-N 3.41Å; L292-A295 PolarHBondContact O-N 3.29Å; L293-A295 VanDerWaalsContact C-N 3.3Å; L293-A295 PolarHBondContact O-N 2.85Å
296Q96Very high95.9Very high87 Ų8749.6 Ų49.641%0.40728%0.276SS..  trans-137.277.6-176.2-60176.320.400110.1L292 L293 S298 R299L292-Q296 WeakPolarHBondContact O-CA 3.3Å; L292-Q296 WeakPolarHBondContact O-CB 3.31Å; L292-Q296 PolarHBondContact O-N 3.03Å; L293-Q296 CarbonylContact O-C 3.58Å; L293-Q296 VanDerWaalsContact O-C 3.3Å; L293-Q296 PolarHBondContact O-N 3.18Å; Q296-S298 PolarHBondContact O-N 2.98Å; Q296-S298 VanDerWaalsContact O-N 3.09Å; Q296-R299 HydrophobicContact CB-CB 3.89Å; Q296-R299 VanDerWaalsContact O-CB 3.29Å; Q296-R299 WeakPolarHBondContact O-CB 3.49Å; Q296-R299 PolarHBondContact O-N 2.91Å
297P90.4Very high95.9Very high109 Ų10949.8 Ų49.871%0.70828%0.278SS*.THydrogen-bonded Turntrans-61.9-22-173.6-26.535.6000115.3L293L293-P297 WeakPolarHBondContact O-CA 3.09Å; L293-P297 WeakPolarHBondContact O-CD 3.5Å; L293-P297 WeakPolarHBondContact O-CG 3.3Å; L293-P297 VanDerWaalsContact O-N 3.09Å
298S89.6Confident95.9Very high122 Ų12246.8 Ų46.885%0.85326%0.264SS*.THydrogen-bonded Turntrans-93.81.5178.858.90000114Q296 D300Q296-S298 PolarHBondContact O-N 2.98Å; Q296-S298 VanDerWaalsContact O-N 3.09Å; S298-D300 PolarHBondContact O-N 2.63Å
299R92.7Very high95.9Very high106 Ų10641.1 Ų41.140%0.424%0.242SC..  trans-69126.4-179-172.6-177.8-17796.63.8110Q296 L301Q296-R299 HydrophobicContact CB-CB 3.89Å; Q296-R299 VanDerWaalsContact O-CB 3.29Å; Q296-R299 WeakPolarHBondContact O-CB 3.49Å; Q296-R299 PolarHBondContact O-N 2.91Å; R299-L301 HydrophobicContact CG-CD2 4.12Å; R299-L301 HydrophobicContact CG-CG 4.19Å; R299-L301 PolarHBondContact O-N 2.98Å
300D91.5Very high95.9Very high117 Ų11741 Ų4163%0.62624%0.242SC*.  trans-70.9123.7168.9-169.1-2.7000109.6S298 S302S298-D300 PolarHBondContact O-N 2.63Å; D300-S302 VanDerWaalsContact OD1-CB 3.23Å; D300-S302 WeakPolarHBondContact OD1-CB 3.41Å; D300-S302 PolarHBondContact OD1-N 3.4Å; D300-S302 PolarHBondContact OD1-OG 3Å
301L94.7Very high95.9Very high3 Ų341.4 Ų41.42%0.01624%0.243CC..  trans-130.126.5176.8-66178.6000110.7F289 L292 L293 R299 L303 E304 L305F289-L301 HydrophobicContact CB-CD1 4.27Å; F289-L301 HydrophobicContact CD1-CD1 4.09Å; F289-L301 HydrophobicContact CD1-CD2 4.29Å; L292-L301 HydrophobicContact CD2-CD1 4.24Å; L292-L301 HydrophobicContact CD2-CD2 3.97Å; L292-L301 HydrophobicContact CG-CD1 4.48Å; L293-L301 HydrophobicContact CD1-CD1 4.3Å; L293-L301 HydrophobicContact CD2-CD1 3.74Å; L293-L301 HydrophobicContact CD2-CG 4.41Å; L293-L301 HydrophobicContact CG-CD1 3.68Å; R299-L301 HydrophobicContact CG-CD2 4.12Å; R299-L301 HydrophobicContact CG-CG 4.19Å; R299-L301 PolarHBondContact O-N 2.98Å; L301-L303 PolarHBondContact O-N 3.32Å; L301-E304 WeakPolarHBondContact CA-OE2 3.39Å; L301-E304 HydrophobicContact CD2-CG 4.5Å; L301-E304 PolarHBondContact O-N 3.1Å; L301-L305 HydrophobicContact CB-CD1 4.16Å; L301-L305 HydrophobicContact CB-CG 3.98Å; L301-L305 VanDerWaalsContact O-CB 3.31Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.29Å; L301-L305 PolarHBondContact O-N 2.95Å
302S94.1Very high96Very high23 Ų2339.9 Ų39.916%0.16123%0.228CC..Hα-helixtrans-57.5-46.9-174-63.40000111.8R230 D300 A306R230-S302 PolarHBondContact NH1-O 2.68Å; D300-S302 VanDerWaalsContact OD1-CB 3.23Å; D300-S302 WeakPolarHBondContact OD1-CB 3.41Å; D300-S302 PolarHBondContact OD1-N 3.4Å; D300-S302 PolarHBondContact OD1-OG 3Å; S302-A306 WeakPolarHBondContact O-CB 3.18Å; S302-A306 PolarHBondContact O-N 3.42Å; S302-A306 VanDerWaalsContact O-N 3.15Å
303L95.8Very high96Very high35 Ų3538.8 Ų38.818%0.18322%0.223CC..Hα-helixtrans-71.6-42.8-179.8-61.1176.1000112.1L301 A306 A307 M361 E365L301-L303 PolarHBondContact O-N 3.32Å; L303-A306 PolarHBondContact O-N 3.04Å; L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 3.42Å; L303-M361 HydrophobicContact CD2-CE 4.41Å; L303-E365 HydrophobicContact CD1-CB 4.37Å; L303-E365 HydrophobicContact CD2-CB 3.7Å; L303-E365 HydrophobicContact CD2-CG 4.49Å; L303-E365 WeakPolarHBondContact CD2-OE2 3.29Å
304E97.6Very high96.2Very high56 Ų5640.9 Ų40.926%0.26223%0.232SC..Hα-helixtrans-66.4-41.1-178.2-67.893.115200112.6F289 L301 A307 L308 L480F289-E304 HydrophobicContact CD1-CB 4.25Å; F289-E304 HydrophobicContact CE1-CB 3.52Å; F289-E304 HydrophobicContact CE1-CG 3.88Å; F289-E304 HydrophobicContact CE2-CB 4.2Å; F289-E304 HydrophobicContact CZ-CB 3.51Å; F289-E304 HydrophobicContact CZ-CG 4.05Å; L301-E304 WeakPolarHBondContact CA-OE2 3.39Å; L301-E304 HydrophobicContact CD2-CG 4.5Å; L301-E304 PolarHBondContact O-N 3.1Å; E304-A307 WeakPolarHBondContact O-CB 3.47Å; E304-A307 PolarHBondContact O-N 2.88Å; E304-L308 WeakPolarHBondContact O-CB 3.23Å; E304-L308 PolarHBondContact O-N 3.43Å; E304-L480 HydrophobicContact CB-CD2 4.22Å; E304-L480 HydrophobicContact CG-CD1 4.42Å; E304-L480 HydrophobicContact CG-CD2 4.21Å
305L97.7Very high96.3Very high2 Ų240.6 Ų40.61%0.0123%0.228CC..Hα-helixtrans-72.5-32.3176.8-66.4-175.7000112.1V227 R230 L231 F289 L293 L301 K309V227-L305 HydrophobicContact CG1-CD1 3.79Å; V227-L305 WeakPolarHBondContact O-CD1 3.44Å; R230-L305 HydrophobicContact CB-CB 4.19Å; L231-L305 HydrophobicContact CD1-CD1 4.04Å; L231-L305 HydrophobicContact CD1-CD2 4.09Å; L231-L305 HydrophobicContact CD2-CD2 3.47Å; L231-L305 VanDerWaalsContact CD2-CD2 3.47Å; L231-L305 HydrophobicContact CG-CD1 4.01Å; L231-L305 HydrophobicContact CG-CD2 3.59Å; L231-L305 HydrophobicContact CG-CG 4.42Å; F289-L305 HydrophobicContact CB-CD2 3.67Å; F289-L305 HydrophobicContact CD2-CD2 3.82Å; F289-L305 HydrophobicContact CG-CD2 3.85Å; L293-L305 HydrophobicContact CD1-CD1 4.43Å; L301-L305 HydrophobicContact CB-CD1 4.16Å; L301-L305 HydrophobicContact CB-CG 3.98Å; L301-L305 VanDerWaalsContact O-CB 3.31Å; L301-L305 WeakPolarHBondContact O-CB 3.28Å; L301-L305 VanDerWaalsContact O-CG 3.3Å; L301-L305 WeakPolarHBondContact O-CG 3.29Å; L301-L305 PolarHBondContact O-N 2.95Å; L305-K309 VanDerWaalsContact O-CB 3.3Å; L305-K309 WeakPolarHBondContact O-CB 3.39Å; L305-K309 PolarHBondContact O-N 3.43Å
306A97.6Very high96.3Very high0 Ų037 Ų370%020%0.199CC..Hα-helixtrans-63.1-46.6169.800000111.2S302 L303 L308 K309 V310 L358 M361 I362S302-A306 WeakPolarHBondContact O-CB 3.18Å; S302-A306 PolarHBondContact O-N 3.42Å; S302-A306 VanDerWaalsContact O-N 3.15Å; L303-A306 PolarHBondContact O-N 3.04Å; A306-L308 VanDerWaalsContact C-N 3.34Å; A306-L308 PolarHBondContact O-N 2.71Å; A306-K309 PolarHBondContact O-N 2.79Å; A306-V310 WeakPolarHBondContact O-CG2 3.4Å; A306-V310 PolarHBondContact O-N 3.1Å; A306-L358 HydrophobicContact CB-CB 4.41Å; A306-L358 HydrophobicContact CB-CD2 3.93Å; A306-M361 HydrophobicContact CB-CE 3.36Å; A306-I362 HydrophobicContact CB-CD1 3.91Å; A306-I362 HydrophobicContact CB-CG1 3.78Å
307A98.5Very high96.4Very high3 Ų336.4 Ų36.43%0.02519%0.193CC..Hα-helixtrans-58-46.8177.100000111.5L303 E304 F311 I362 I477 L480L303-A307 WeakPolarHBondContact O-CB 3.2Å; L303-A307 PolarHBondContact O-N 3.42Å; E304-A307 WeakPolarHBondContact O-CB 3.47Å; E304-A307 PolarHBondContact O-N 2.88Å; A307-F311 WeakPolarHBondContact O-CB 3.38Å; A307-F311 PolarHBondContact O-N 3.4Å; A307-F311 VanDerWaalsContact O-N 3.12Å; A307-I362 HydrophobicContact CB-CD1 4.11Å; A307-I477 HydrophobicContact CB-CG1 3.61Å; A307-L480 HydrophobicContact CB-CD2 3.76Å
308L98.7Very high96.8Very high0 Ų033 Ų330%017%0.172CC..Hα-helixtrans-64.4-40.5176.9-177.161.9000112.3L231 V234 F289 E304 A306 S312 L481L231-L308 HydrophobicContact CD2-CD2 4.39Å; V234-L308 HydrophobicContact CB-CG 4.5Å; V234-L308 HydrophobicContact CG1-CD1 4.33Å; V234-L308 HydrophobicContact CG1-CD2 4.04Å; V234-L308 HydrophobicContact CG1-CG 4.01Å; V234-L308 HydrophobicContact CG2-CD2 4.23Å; V234-L308 HydrophobicContact CG2-CG 3.84Å; F289-L308 HydrophobicContact CD2-CD2 3.73Å; F289-L308 HydrophobicContact CE2-CB 4.25Å; F289-L308 HydrophobicContact CE2-CD2 4.13Å; E304-L308 WeakPolarHBondContact O-CB 3.23Å; E304-L308 PolarHBondContact O-N 3.43Å; A306-L308 VanDerWaalsContact C-N 3.34Å; A306-L308 PolarHBondContact O-N 2.71Å; L308-S312 WeakPolarHBondContact O-CB 3.25Å; L308-S312 PolarHBondContact O-N 2.67Å; L308-S312 PolarHBondContact O-OG 2.75Å; L308-L481 HydrophobicContact CD1-CD2 3.85Å
309K98Very high97.2Very high4 Ų427.4 Ų27.42%0.01713%0.133CC..Hα-helixtrans-64.3-47.8178.1-173.5-74-152-173.20111.8R230 V234 L305 A306 S312 S313 H348 E353 N355 L358R230-K309 HydrophobicContact CB-CB 4.02Å; R230-K309 HydrophobicContact CB-CG 4.25Å; R230-K309 HydrophobicContact CG-CB 4.18Å; R230-K309 HydrophobicContact CG-CG 4.2Å; V234-K309 HydrophobicContact CG2-CB 4.45Å; L305-K309 VanDerWaalsContact O-CB 3.3Å; L305-K309 WeakPolarHBondContact O-CB 3.39Å; L305-K309 PolarHBondContact O-N 3.43Å; A306-K309 PolarHBondContact O-N 2.79Å; K309-S312 PolarHBondContact O-N 2.7Å; K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.45Å; K309-S313 PolarHBondContact O-N 2.69Å; K309-S313 PolarHBondContact O-OG 2.9Å; K309-H348 WeakPolarHBondContact CE-O 3.2Å; K309-H348 PolarHBondContact NZ-O 3.31Å; K309-E353 PolarHBondContact NZ-O 3.39Å; K309-N355 PolarHBondContact NZ-OD1 3.38Å; K309-L358 HydrophobicContact CB-CD1 4.45Å; K309-L358 HydrophobicContact CD-CD1 3.63Å; K309-L358 HydrophobicContact CG-CD1 4.27Å
310V98.6Very high97.5Very high0 Ų022.3 Ų22.30%011%0.114CC..Hα-helixtrans-57.4-53.3178.4170.40000110A306 S312 S313 E314 N355 L358 R359 I362 I477A306-V310 WeakPolarHBondContact O-CG2 3.4Å; A306-V310 PolarHBondContact O-N 3.1Å; V310-S312 PolarHBondContact O-N 3.16Å; V310-S313 PolarHBondContact O-OG 3.27Å; V310-S313 VanDerWaalsContact O-OG 3.12Å; V310-E314 PolarHBondContact O-N 3.16Å; V310-N355 HydrophobicContact CG1-CB 4.36Å; V310-N355 HydrophobicContact CG2-CB 4.19Å; V310-L358 HydrophobicContact CG2-CB 3.58Å; V310-L358 HydrophobicContact CG2-CD1 3.99Å; V310-L358 HydrophobicContact CG2-CG 4.46Å; V310-R359 HydrophobicContact CG1-CG 4.24Å; V310-I362 HydrophobicContact CG2-CD1 4.41Å; V310-I477 HydrophobicContact CB-CD1 3.95Å; V310-I477 HydrophobicContact CG1-CD1 3.74Å
311F98.7Very high97.8Very high8 Ų820.7 Ų20.74%0.03511%0.105CC..Hα-helixtrans-56.4-54.7177.8-179.3-96.7000111.6N278 A281 M282 A307 S313 E314 K315 I477 L481 F510N278-F311 HydrophobicContact CB-CZ 4.31Å; N278-F311 WeakPolarHBondContact OD1-CZ 3.42Å; A281-F311 HydrophobicContact CB-CE1 3.94Å; A281-F311 HydrophobicContact CB-CZ 4.09Å; M282-F311 HydrophobicContact CG-CD1 3.91Å; M282-F311 HydrophobicContact CG-CE1 3.78Å; A307-F311 WeakPolarHBondContact O-CB 3.38Å; A307-F311 PolarHBondContact O-N 3.4Å; A307-F311 VanDerWaalsContact O-N 3.12Å; F311-S313 PolarHBondContact O-N 3.43Å; F311-E314 PolarHBondContact O-N 3.13Å; F311-K315 HydrophobicContact CD1-CG 4.19Å; F311-K315 HydrophobicContact CD2-CG 4.26Å; F311-K315 HydrophobicContact CE1-CG 3.88Å; F311-K315 HydrophobicContact CE2-CG 3.96Å; F311-K315 HydrophobicContact CG-CG 4.36Å; F311-K315 HydrophobicContact CZ-CG 3.75Å; F311-K315 VanDerWaalsContact O-CG 3.28Å; F311-K315 WeakPolarHBondContact O-CG 3.49Å; F311-K315 PolarHBondContact O-N 3.46Å; F311-I477 HydrophobicContact CB-CG2 3.74Å; F311-I477 HydrophobicContact CD2-CG2 3.97Å; F311-I477 HydrophobicContact CG-CG2 4.23Å; F311-L481 HydrophobicContact CB-CD1 3.7Å; F311-L481 HydrophobicContact CD1-CD1 3.37Å; F311-L481 HydrophobicContact CD2-CD1 3.46Å; F311-L481 VanDerWaalsContact CD2-CD1 3.46Å; F311-L481 HydrophobicContact CE1-CD1 3.77Å; F311-L481 HydrophobicContact CE2-CD1 3.85Å; F311-L481 HydrophobicContact CG-CD1 3.2Å; F311-L481 HydrophobicContact CZ-CD1 4.01Å; F311-F510 HydrophobicContact CE2-CE2 4.19Å; F311-F510 HydrophobicContact CE2-CZ 4.33Å; F311-F510 AromaticContact CZ-CE2 3.76Å; F311-F510 HydrophobicContact CZ-CE2 3.76Å; F311-F510 HydrophobicContact CZ-CZ 4.1Å
312S98.6Very high98Very high1 Ų121.4 Ų21.41%0.00711%0.11CC..Hα-helixtrans-64.6-44.9-171.5-58.70000112.1V234 M282 L308 K309 V310 E314 K315 V316V234-S312 WeakPolarHBondContact CG1-OG 3.49Å; M282-S312 WeakPolarHBondContact CG-OG 3.37Å; L308-S312 WeakPolarHBondContact O-CB 3.25Å; L308-S312 PolarHBondContact O-N 2.67Å; L308-S312 PolarHBondContact O-OG 2.75Å; K309-S312 PolarHBondContact O-N 2.7Å; V310-S312 PolarHBondContact O-N 3.16Å; S312-E314 VanDerWaalsContact C-N 3.34Å; S312-E314 PolarHBondContact O-N 3.29Å; S312-K315 PolarHBondContact O-N 3.1Å; S312-V316 WeakPolarHBondContact O-CB 3.14Å; S312-V316 WeakPolarHBondContact O-CG2 3.46Å; S312-V316 PolarHBondContact O-N 2.77Å
313S98.3Very high98.2Very high3 Ų320.3 Ų20.32%0.02110%0.102CC..Hα-helixtrans-61.9-41-178.8580000112.3K309 V310 F311 W317 H348 N355K309-S313 VanDerWaalsContact O-CB 3.28Å; K309-S313 WeakPolarHBondContact O-CB 3.45Å; K309-S313 PolarHBondContact O-N 2.69Å; K309-S313 PolarHBondContact O-OG 2.9Å; V310-S313 PolarHBondContact O-OG 3.27Å; V310-S313 VanDerWaalsContact O-OG 3.12Å; F311-S313 PolarHBondContact O-N 3.43Å; S313-W317 PolarHBondContact O-N 2.84Å; S313-W317 VanDerWaalsContact O-N 3.13Å; S313-H348 WeakPolarHBondContact CB-O 3.01Å; S313-N355 PolarHBondContact OG-ND2 3.49Å; S313-N355 PolarHBondContact OG-OD1 3.02Å
314E98.4Very high98.3Very high58 Ų5819.4 Ų19.427%0.27110%0.097SC..Hα-helixtrans-69.2-42.6176.7-72.5173.5-17100112.3V310 F311 S312 V316 W317 S318 L349 N355 R359V310-E314 PolarHBondContact O-N 3.16Å; F311-E314 PolarHBondContact O-N 3.13Å; S312-E314 VanDerWaalsContact C-N 3.34Å; S312-E314 PolarHBondContact O-N 3.29Å; E314-V316 VanDerWaalsContact C-N 3.34Å; E314-W317 PolarHBondContact O-N 3.28Å; E314-S318 PolarHBondContact O-N 3.29Å; E314-S318 PolarHBondContact O-OG 3.09Å; E314-L349 HydrophobicContact CB-CD2 4.46Å; E314-L349 HydrophobicContact CG-CD2 3.76Å; E314-N355 WeakPolarHBondContact CG-ND2 3.3Å; E314-N355 PolarHBondContact OE1-ND2 3.42Å; E314-N355 VanDerWaalsContact OE1-ND2 3.13Å; E314-R359 IonicContact OE1-CZ 3.07Å; E314-R359 VanDerWaalsContact OE1-CZ 3.22Å; E314-R359 IonicContact OE1-NH1 3.54Å; E314-R359 PolarHBondContact OE1-NH1 3.1Å; E314-R359 IonicContact OE1-NH2 2.79Å; E314-R359 PolarHBondContact OE1-NH2 3.36Å; E314-R359 IonicContact OE2-CZ 2.99Å; E314-R359 IonicContact OE2-NH2 3.39Å; E314-R359 PolarHBondContact OE2-NH2 3.37Å
315K98.6Very high98.3Very high40 Ų4022.6 Ų22.617%0.17411%0.112CC..Hα-helixtrans-70.5-30.3179.3-63.2-38.7-178.9-172.90113.1N278 M282 F311 S312 G319N278-K315 HydrophobicContact CB-CB 3.87Å; N278-K315 HydrophobicContact CB-CD 4.45Å; N278-K315 HydrophobicContact CB-CG 3.85Å; M282-K315 HydrophobicContact SD-CB 4.12Å; F311-K315 HydrophobicContact CD1-CG 4.19Å; F311-K315 HydrophobicContact CD2-CG 4.26Å; F311-K315 HydrophobicContact CE1-CG 3.88Å; F311-K315 HydrophobicContact CE2-CG 3.96Å; F311-K315 HydrophobicContact CG-CG 4.36Å; F311-K315 HydrophobicContact CZ-CG 3.75Å; F311-K315 VanDerWaalsContact O-CG 3.28Å; F311-K315 WeakPolarHBondContact O-CG 3.49Å; F311-K315 PolarHBondContact O-N 3.46Å; S312-K315 PolarHBondContact O-N 3.1Å; K315-G319 WeakPolarHBondContact O-CA 3.06Å; K315-G319 PolarHBondContact O-N 2.88Å
316V98.5Very high98.4Very high1 Ų123.2 Ų23.21%0.00612%0.116CC..Hα-helixtrans-64.1-52.6170.4174.10000109.7G237 L241 M282 S312 E314 G319 I320 A345G237-V316 VanDerWaalsContact CA-CG2 3.42Å; L241-V316 HydrophobicContact CD1-CB 4.42Å; L241-V316 HydrophobicContact CD1-CG2 3.92Å; L241-V316 HydrophobicContact CG-CB 4.36Å; L241-V316 HydrophobicContact CG-CG1 4.42Å; L241-V316 HydrophobicContact CG-CG2 4.03Å; M282-V316 HydrophobicContact CE-CG2 3.36Å; M282-V316 HydrophobicContact SD-CG2 4.31Å; S312-V316 WeakPolarHBondContact O-CB 3.14Å; S312-V316 WeakPolarHBondContact O-CG2 3.46Å; S312-V316 PolarHBondContact O-N 2.77Å; E314-V316 VanDerWaalsContact C-N 3.34Å; V316-G319 PolarHBondContact O-N 3.31Å; V316-I320 HydrophobicContact CG1-CD1 3.67Å; V316-I320 HydrophobicContact CG1-CG1 4.42Å; V316-I320 WeakPolarHBondContact O-CD1 3.4Å; V316-I320 WeakPolarHBondContact O-CG1 3.36Å; V316-I320 PolarHBondContact O-N 3.18Å; V316-A345 HydrophobicContact CG1-CB 3.78Å
317W98Very high98.4Very high73 Ų7323.5 Ų23.528%0.27712%0.117SC..Hα-helixtrans-56.8-55179.1176.4-95.8000112.3F189 S313 E314 G319 I320 D321 L342 R346 L349F189-W317 HydrophobicContact CE1-CH2 4.07Å; F189-W317 HydrophobicContact CE1-CZ3 4.18Å; F189-W317 HydrophobicContact CZ-CH2 4.45Å; S313-W317 PolarHBondContact O-N 2.84Å; S313-W317 VanDerWaalsContact O-N 3.13Å; E314-W317 PolarHBondContact O-N 3.28Å; W317-G319 VanDerWaalsContact C-N 3.3Å; W317-G319 PolarHBondContact O-N 3.42Å; W317-I320 PolarHBondContact O-N 3.44Å; W317-D321 PolarHBondContact O-N 2.9Å; W317-D321 VanDerWaalsContact O-N 3.12Å; W317-L342 HydrophobicContact CD2-CD1 4.04Å; W317-L342 HydrophobicContact CE3-CD1 3.71Å; W317-L342 HydrophobicContact CE3-CG 4.36Å; W317-L342 HydrophobicContact CH2-CD1 3.95Å; W317-L342 HydrophobicContact CH2-CD2 4.49Å; W317-L342 HydrophobicContact CH2-CG 3.97Å; W317-L342 HydrophobicContact CZ2-CD1 4.26Å; W317-L342 HydrophobicContact CZ3-CD1 3.64Å; W317-L342 HydrophobicContact CZ3-CG 3.79Å; W317-L342 WeakPolarHBondContact CZ3-O 3.46Å; W317-R346 HydrophobicContact CE3-CB 3.98Å; W317-R346 HydrophobicContact CH2-CB 4.13Å; W317-R346 HydrophobicContact CH2-CG 4.21Å; W317-R346 HydrophobicContact CZ3-CB 3.41Å; W317-R346 VanDerWaalsContact CZ3-CB 3.41Å; W317-R346 HydrophobicContact CZ3-CG 3.94Å; W317-L349 HydrophobicContact CB-CD1 4.22Å; W317-L349 HydrophobicContact CD2-CD1 4.21Å; W317-L349 HydrophobicContact CG-CD1 3.99Å
318S98.2Very high98.2Very high39 Ų3924.8 Ų24.827%0.27313%0.131SC..Hα-helixtrans-67.7-31.1-17968.60000113E314 T322E314-S318 PolarHBondContact O-N 3.29Å; E314-S318 PolarHBondContact O-OG 3.09Å; S318-T322 WeakPolarHBondContact O-CB 3.37Å; S318-T322 PolarHBondContact O-N 3.21Å; S318-T322 PolarHBondContact O-OG1 3.49Å
319G98.7Very high98.1Very high3 Ų335.8 Ų35.83%0.03117%0.173CC..Hα-helixtrans-68.4-43.5177.700000112K315 V316 W317 T322 C323K315-G319 WeakPolarHBondContact O-CA 3.06Å; K315-G319 PolarHBondContact O-N 2.88Å; V316-G319 PolarHBondContact O-N 3.31Å; W317-G319 VanDerWaalsContact C-N 3.3Å; W317-G319 PolarHBondContact O-N 3.42Å; G319-T322 PolarHBondContact O-N 3.15Å; G319-C323 PolarHBondContact O-N 3.18Å; G319-C323 PolarHBondContact O-SG 3.45Å
320I98.5Very high97.9Very high0 Ų039.3 Ų39.30%019%0.188CC..Hα-helixtrans-64.7-44.6175.5-61.7165.3000110.8V240 L241 L244 V316 W317 T322 C323 I324 F341 L342 A345V240-I320 HydrophobicContact CG1-CD1 3.77Å; V240-I320 HydrophobicContact CG1-CG1 4.28Å; L241-I320 HydrophobicContact CD2-CG1 4Å; L244-I320 HydrophobicContact CD1-CB 4.32Å; L244-I320 HydrophobicContact CD1-CD1 4.45Å; L244-I320 HydrophobicContact CD1-CG1 3.76Å; L244-I320 HydrophobicContact CD1-CG2 3.89Å; V316-I320 HydrophobicContact CG1-CD1 3.67Å; V316-I320 HydrophobicContact CG1-CG1 4.42Å; V316-I320 WeakPolarHBondContact O-CD1 3.4Å; V316-I320 WeakPolarHBondContact O-CG1 3.36Å; V316-I320 PolarHBondContact O-N 3.18Å; W317-I320 PolarHBondContact O-N 3.44Å; I320-T322 VanDerWaalsContact C-N 3.28Å; I320-T322 PolarHBondContact O-N 2.98Å; I320-C323 WeakPolarHBondContact O-CB 3.18Å; I320-C323 PolarHBondContact O-N 3.44Å; I320-C323 VanDerWaalsContact O-N 3.11Å; I320-I324 HydrophobicContact CG2-CD1 4.28Å; I320-I324 PolarHBondContact O-N 2.72Å; I320-F341 HydrophobicContact CD1-CB 4.26Å; I320-F341 HydrophobicContact CG2-CB 4.49Å; I320-L342 HydrophobicContact CB-CD1 4.11Å; I320-L342 HydrophobicContact CG2-CB 3.71Å; I320-L342 HydrophobicContact CG2-CD1 3.98Å; I320-L342 HydrophobicContact CG2-CG 4.44Å; I320-A345 HydrophobicContact CD1-CB 3.51Å
321D98.3Very high97.8Very high83 Ų8339.3 Ų39.344%0.44419%0.188SC..Hα-helixtrans-58.2-42.3175.3-178.364.8000111.6W317 C323 I324 Q325 L342W317-D321 PolarHBondContact O-N 2.9Å; W317-D321 VanDerWaalsContact O-N 3.12Å; D321-C323 PolarHBondContact O-N 3.34Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 PolarHBondContact O-N 3.45Å; D321-Q325 PolarHBondContact O-N 2.98Å; D321-L342 HydrophobicContact CB-CD1 4.35Å
322T98.6Very high97.6Very high17 Ų1744.8 Ų44.810%0.10422%0.217CC..Hα-helixtrans-64.3-39.2175-61.70000112.1K271 I275 S318 G319 I320 Q325 L326K271-T322 HydrophobicContact CB-CG2 3.65Å; K271-T322 HydrophobicContact CD-CG2 4.01Å; K271-T322 HydrophobicContact CG-CG2 3.85Å; I275-T322 HydrophobicContact CD1-CG2 3.76Å; I275-T322 HydrophobicContact CG1-CG2 4.35Å; S318-T322 WeakPolarHBondContact O-CB 3.37Å; S318-T322 PolarHBondContact O-N 3.21Å; S318-T322 PolarHBondContact O-OG1 3.49Å; G319-T322 PolarHBondContact O-N 3.15Å; I320-T322 VanDerWaalsContact C-N 3.28Å; I320-T322 PolarHBondContact O-N 2.98Å; T322-Q325 PolarHBondContact O-N 2.95Å; T322-L326 HydrophobicContact CG2-CD1 4.33Å; T322-L326 HydrophobicContact CG2-CG 4.49Å; T322-L326 WeakPolarHBondContact O-CG 3.49Å; T322-L326 PolarHBondContact O-N 2.79Å
323C98.6Very high97.5Very high0 Ų048.7 Ų48.70%024%0.237CC..Hα-helixtrans-60.5-42.6173.2-69.40000112T248 G319 I320 D321 L326 A327 Y338T248-C323 HydrophobicContact CG2-CB 4.26Å; T248-C323 WeakPolarHBondContact OG1-CB 3.49Å; T248-C323 PolarHBondContact OG1-SG 3.47Å; T248-C323 VanDerWaalsContact OG1-SG 3.35Å; G319-C323 PolarHBondContact O-N 3.18Å; G319-C323 PolarHBondContact O-SG 3.45Å; I320-C323 WeakPolarHBondContact O-CB 3.18Å; I320-C323 PolarHBondContact O-N 3.44Å; I320-C323 VanDerWaalsContact O-N 3.11Å; D321-C323 PolarHBondContact O-N 3.34Å; C323-L326 PolarHBondContact O-N 2.78Å; C323-A327 WeakPolarHBondContact O-CB 3.49Å; C323-A327 PolarHBondContact O-N 3Å; C323-Y338 HydrophobicContact CB-CD1 3.96Å; C323-Y338 HydrophobicContact CB-CE1 3.77Å
324I98.3Very high97.1Very high17 Ų1755.1 Ų55.19%0.08727%0.265CS..Hα-helixtrans-60.6-46.7174.1-69.4163.7000110.3I320 D321 L326 A327 G328 L332 Y338 L342I320-I324 HydrophobicContact CG2-CD1 4.28Å; I320-I324 PolarHBondContact O-N 2.72Å; D321-I324 WeakPolarHBondContact O-CB 3.29Å; D321-I324 PolarHBondContact O-N 3.45Å; I324-L326 VanDerWaalsContact C-N 3.31Å; I324-L326 PolarHBondContact O-N 3.08Å; I324-A327 CarbonylContact O-C 3.53Å; I324-A327 PolarHBondContact O-N 2.99Å; I324-A327 VanDerWaalsContact O-N 3.15Å; I324-G328 PolarHBondContact O-N 3.44Å; I324-L332 HydrophobicContact CG2-CD2 3.83Å; I324-Y338 VanDerWaalsContact CG1-CB 3.49Å; I324-Y338 HydrophobicContact CG1-CD1 4.34Å; I324-Y338 HydrophobicContact CG1-CG 4.06Å; I324-L342 HydrophobicContact CD1-CB 4.04Å; I324-L342 HydrophobicContact CD1-CD2 3.7Å; I324-L342 HydrophobicContact CD1-CG 4.35Å
325Q97.8Very high96.6Very high122 Ų12258.8 Ų58.857%0.5729%0.287SS*.Hα-helixtrans-61.1-39.5179.1-178.558.885.500112.3D321 T322 G328D321-Q325 PolarHBondContact O-N 2.98Å; T322-Q325 PolarHBondContact O-N 2.95Å; Q325-G328 PolarHBondContact O-N 3.16Å
326L98.3Very high96.3Very high16 Ų1657.3 Ų57.38%0.08428%0.281CS..Hα-helixtrans-67.8-35.6175.6-72.5175.2000112.2T248 V268 K271 L272 T322 C323 I324 G328T248-L326 HydrophobicContact CG2-CB 3.88Å; T248-L326 HydrophobicContact CG2-CD1 3.85Å; V268-L326 HydrophobicContact CB-CD2 4.19Å; V268-L326 HydrophobicContact CG1-CD2 3.83Å; V268-L326 HydrophobicContact CG2-CD2 3.9Å; K271-L326 HydrophobicContact CB-CD1 4.14Å; K271-L326 HydrophobicContact CB-CD2 4.2Å; K271-L326 HydrophobicContact CB-CG 4.43Å; K271-L326 HydrophobicContact CD-CD2 3.79Å; K271-L326 HydrophobicContact CD-CG 4.26Å; L272-L326 HydrophobicContact CD2-CD1 3.71Å; L272-L326 HydrophobicContact CG-CD1 4.02Å; T322-L326 HydrophobicContact CG2-CD1 4.33Å; T322-L326 HydrophobicContact CG2-CG 4.49Å; T322-L326 WeakPolarHBondContact O-CG 3.49Å; T322-L326 PolarHBondContact O-N 2.79Å; C323-L326 PolarHBondContact O-N 2.78Å; I324-L326 VanDerWaalsContact C-N 3.31Å; I324-L326 PolarHBondContact O-N 3.08Å; L326-G328 PolarHBondContact O-N 3.06Å
327A97.4Very high95.9Very high5 Ų558 Ų584%0.04129%0.286CS..Hα-helixtrans-72-17.2172.500000113.4C323 I324 F330 Y338C323-A327 WeakPolarHBondContact O-CB 3.49Å; C323-A327 PolarHBondContact O-N 3Å; I324-A327 CarbonylContact O-C 3.53Å; I324-A327 PolarHBondContact O-N 2.99Å; I324-A327 VanDerWaalsContact O-N 3.15Å; A327-F330 HydrophobicContact CB-CD1 4.3Å; A327-F330 WeakPolarHBondContact O-CB 3.46Å; A327-F330 PolarHBondContact O-N 3.33Å; A327-Y338 HydrophobicContact CB-CD2 4.4Å; A327-Y338 HydrophobicContact CB-CE2 3.66Å
328G96Very high95.8Very high30 Ų3054.6 Ų54.631%0.30927%0.272SS..G310 helixtrans61.1-143.6-176.600000112.3I324 Q325 L326 F330 G331I324-G328 PolarHBondContact O-N 3.44Å; Q325-G328 PolarHBondContact O-N 3.16Å; L326-G328 PolarHBondContact O-N 3.06Å; G328-F330 PolarHBondContact O-N 2.96Å; G328-F330 VanDerWaalsContact O-N 3.15Å; G328-G331 PolarHBondContact O-N 2.93Å
329R95.2Very high95.7Very high231 Ų23154.4 Ų54.487%0.87227%0.267SS*.G310 helixtrans-57.9-29.3-179.9-70.3-175.1-179.9175-0.4113.4G331 L332R329-G331 PolarHBondContact O-N 3.24Å; R329-L332 WeakPolarHBondContact O-CB 3.43Å; R329-L332 PolarHBondContact O-N 3.39Å
330F95.1Very high95.5Very high79 Ų7956.2 Ų56.235%0.34627%0.273SS..G310 helixtrans-62.2-35.2176.1172.2-101.4000111.6Y247 H251 A327 G328 L332 L333 V336 Y338Y247-F330 HydrophobicContact CE1-CE1 4.26Å; H251-F330 AromaticContact ND1-CD1 3.95Å; A327-F330 HydrophobicContact CB-CD1 4.3Å; A327-F330 WeakPolarHBondContact O-CB 3.46Å; A327-F330 PolarHBondContact O-N 3.33Å; G328-F330 PolarHBondContact O-N 2.96Å; G328-F330 VanDerWaalsContact O-N 3.15Å; F330-L332 PolarHBondContact O-N 3.47Å; F330-L332 VanDerWaalsContact O-N 3.13Å; F330-L333 HydrophobicContact CD2-CD1 3.83Å; F330-L333 HydrophobicContact CE2-CD1 4.29Å; F330-L333 WeakPolarHBondContact O-CG 3.31Å; F330-L333 PolarHBondContact O-N 2.81Å; F330-V336 HydrophobicContact CD1-CG1 4.39Å; F330-V336 HydrophobicContact CD2-CG1 4.4Å; F330-V336 HydrophobicContact CE1-CB 4.47Å; F330-V336 HydrophobicContact CE1-CG1 3.68Å; F330-V336 HydrophobicContact CE2-CG1 3.68Å; F330-V336 HydrophobicContact CZ-CB 4.47Å; F330-V336 HydrophobicContact CZ-CG1 3.28Å; F330-V336 WeakPolarHBondContact O-CG2 3.37Å; F330-Y338 HydrophobicContact CD1-CE2 4.49Å; F330-Y338 HydrophobicContact CE1-CE2 4.4Å
331G95.9Very high95.4Very high0 Ų056.4 Ų56.40%027%0.274CS..G310 helixtrans-64.4-13.6177.600000114.9G328 R329G328-G331 PolarHBondContact O-N 2.93Å; R329-G331 PolarHBondContact O-N 3.24Å
332L95.5Very high95.4Very high122 Ų12253.8 Ų53.864%0.63926%0.26SS*.G310 helixtrans-91.7-2.8-179.8-56.7178.6000113.5I324 R329 F330I324-L332 HydrophobicContact CG2-CD2 3.83Å; R329-L332 WeakPolarHBondContact O-CB 3.43Å; R329-L332 PolarHBondContact O-N 3.39Å; F330-L332 PolarHBondContact O-N 3.47Å; F330-L332 VanDerWaalsContact O-N 3.13Å
333L94.6Very high95.3Very high83 Ų8354.6 Ų54.644%0.43526%0.261SS..  trans-76144.7178.9-59.2171.6000110.8F330 N335 V336F330-L333 HydrophobicContact CD2-CD1 3.83Å; F330-L333 HydrophobicContact CE2-CD1 4.29Å; F330-L333 WeakPolarHBondContact O-CG 3.31Å; F330-L333 PolarHBondContact O-N 2.81Å; L333-N335 VanDerWaalsContact C-N 3.29Å; L333-N335 WeakPolarHBondContact CB-OD1 3.28Å; L333-N335 PolarHBondContact O-N 3.43Å; L333-V336 HydrophobicContact CB-CG2 4.1Å; L333-V336 WeakPolarHBondContact O-CG2 3.25Å; L333-V336 PolarHBondContact O-N 3.18Å
334K90.1Very high95.2Very high138 Ų13855 Ų5560%0.626%0.263SS*.THydrogen-bonded Turntrans-71.9-21.2177.5-69.2-174.1171.8-168.70114.1Y15 V336Y15-K334 HydrophobicContact CE2-CB 4.08Å; Y15-K334 HydrophobicContact CE2-CD 4.12Å; K334-V336 VanDerWaalsContact C-N 3.29Å
335N87.9Confident95.1Very high136 Ų13654.4 Ų54.473%0.72726%0.261SS*.THydrogen-bonded Turntrans-87.31.9-178.869-23.4000113.3L333L333-N335 VanDerWaalsContact C-N 3.29Å; L333-N335 WeakPolarHBondContact CB-OD1 3.28Å; L333-N335 PolarHBondContact O-N 3.43Å
336V92.3Very high95Very high8 Ų852.7 Ų52.75%0.04825%0.249CC..SBendtrans-107.9150.5171-61.50000109.1F330 L333 K334 Y338F330-V336 HydrophobicContact CD1-CG1 4.39Å; F330-V336 HydrophobicContact CD2-CG1 4.4Å; F330-V336 HydrophobicContact CE1-CB 4.47Å; F330-V336 HydrophobicContact CE1-CG1 3.68Å; F330-V336 HydrophobicContact CE2-CG1 3.68Å; F330-V336 HydrophobicContact CZ-CB 4.47Å; F330-V336 HydrophobicContact CZ-CG1 3.28Å; F330-V336 WeakPolarHBondContact O-CG2 3.37Å; L333-V336 HydrophobicContact CB-CG2 4.1Å; L333-V336 WeakPolarHBondContact O-CG2 3.25Å; L333-V336 PolarHBondContact O-N 3.18Å; K334-V336 VanDerWaalsContact C-N 3.29Å; V336-Y338 HydrophobicContact CB-CD2 4.05Å; V336-Y338 HydrophobicContact CB-CE2 4.43Å; V336-Y338 HydrophobicContact CG2-CD2 3.64Å; V336-Y338 HydrophobicContact CG2-CE2 4.32Å; V336-Y338 PolarHBondContact O-N 3.39Å; V336-Y338 VanDerWaalsContact O-N 3.08Å
337P91Very high94.7Very high17 Ų1753.4 Ų53.411%0.1125%0.253CS..THydrogen-bonded Turntrans-66.4-16.8-168.622.5-33.5000114.9Y243 L244 Y247 F341Y243-P337 HydrophobicContact CE1-CB 3.83Å; Y243-P337 HydrophobicContact CE1-CG 3.94Å; L244-P337 HydrophobicContact CD2-CB 4.02Å; L244-P337 HydrophobicContact CD2-CG 3.91Å; Y247-P337 HydrophobicContact CD1-CG 4Å; Y247-P337 HydrophobicContact CD2-CG 4.36Å; Y247-P337 HydrophobicContact CE1-CG 4.01Å; Y247-P337 HydrophobicContact CE2-CG 4.35Å; Y247-P337 HydrophobicContact CG-CG 4.19Å; P337-F341 HydrophobicContact CB-CD2 3.84Å; P337-F341 HydrophobicContact CB-CE2 3.65Å; P337-F341 WeakPolarHBondContact O-CD2 3.48Å; P337-F341 PolarHBondContact O-N 3.08Å
338Y96.1Very high94.6Very high0 Ų053.7 Ų53.70%025%0.254CS..Hα-helixtrans-62.7-52.1-165.8-58.5-72.5000115.1L244 Y247 T248 C323 I324 A327 F330 V336 R340 F341 L342L244-Y338 HydrophobicContact CD2-CD1 3.6Å; L244-Y338 HydrophobicContact CD2-CE1 3.91Å; L244-Y338 HydrophobicContact CD2-CG 4.37Å; Y247-Y338 HydrophobicContact CD1-CE1 4.08Å; Y247-Y338 AromaticContact CD1-CE2 3.92Å; Y247-Y338 HydrophobicContact CD1-CE2 3.92Å; Y247-Y338 AromaticContact CD1-CZ 3.49Å; Y247-Y338 VanDerWaalsContact CD1-CZ 3.49Å; Y247-Y338 VanDerWaalsContact CD1-OH 3.24Å; Y247-Y338 WeakPolarHBondContact CD1-OH 3.23Å; Y247-Y338 HydrophobicContact CE1-CD2 4.49Å; Y247-Y338 AromaticContact CE1-CE2 3.62Å; Y247-Y338 HydrophobicContact CE1-CE2 3.62Å; Y247-Y338 AromaticContact CE1-CZ 3.7Å; T248-Y338 WeakPolarHBondContact OG1-CE1 3.19Å; T248-Y338 PolarHBondContact OG1-OH 3.42Å; C323-Y338 HydrophobicContact CB-CD1 3.96Å; C323-Y338 HydrophobicContact CB-CE1 3.77Å; I324-Y338 VanDerWaalsContact CG1-CB 3.49Å; I324-Y338 HydrophobicContact CG1-CD1 4.34Å; I324-Y338 HydrophobicContact CG1-CG 4.06Å; A327-Y338 HydrophobicContact CB-CD2 4.4Å; A327-Y338 HydrophobicContact CB-CE2 3.66Å; F330-Y338 HydrophobicContact CD1-CE2 4.49Å; F330-Y338 HydrophobicContact CE1-CE2 4.4Å; V336-Y338 HydrophobicContact CB-CD2 4.05Å; V336-Y338 HydrophobicContact CB-CE2 4.43Å; V336-Y338 HydrophobicContact CG2-CD2 3.64Å; V336-Y338 HydrophobicContact CG2-CE2 4.32Å; V336-Y338 PolarHBondContact O-N 3.39Å; V336-Y338 VanDerWaalsContact O-N 3.08Å; Y338-R340 PolarHBondContact O-N 3.45Å; Y338-F341 PolarHBondContact O-N 3.35Å; Y338-L342 PolarHBondContact O-N 3.33Å
339E95.2Very high94.6Very high35 Ų3553.6 Ų53.616%0.16425%0.246CC..Hα-helixtrans-65.9-41.1-167.570.681.1-168.500112.1L342 R343E339-L342 PolarHBondContact O-N 3.48Å; E339-R343 WeakPolarHBondContact O-CG 3.19Å; E339-R343 PolarHBondContact O-N 2.65Å; E339-R343 IonicContact OE1-NH2 3.48Å; E339-R343 PolarHBondContact OE1-NH2 3.37Å; E339-R343 VanDerWaalsContact OE1-NH2 3.14Å; E339-R343 IonicContact OE2-CZ 2.74Å; E339-R343 IonicContact OE2-NE 2.67Å; E339-R343 PolarHBondContact OE2-NE 3.23Å; E339-R343 IonicContact OE2-NH2 3.2Å; E339-R343 PolarHBondContact OE2-NH2 3.29Å; E339-R343 VanDerWaalsContact OE2-NH2 3.16Å
340R95.1Very high94.4Very high42 Ų4245.7 Ų45.716%0.15822%0.223CC..Hα-helixtrans-65-45.2176.5-173.9-177.868.6-136.65.6110.9S14 Y338 L342 R343 D344S14-R340 VanDerWaalsContact CB-NH2 3.26Å; Y338-R340 PolarHBondContact O-N 3.45Å; R340-L342 VanDerWaalsContact C-N 3.29Å; R340-L342 PolarHBondContact O-N 3.5Å; R340-R343 PolarHBondContact O-N 3.34Å; R340-D344 WeakPolarHBondContact O-CB 3.42Å; R340-D344 VanDerWaalsContact O-CG 3.27Å; R340-D344 PolarHBondContact O-N 2.93Å
341F96.9Very high93.7Very high3 Ų344.3 Ų44.31%0.01322%0.224CC..Hα-helixtrans-61.3-38176.4-78.5-48.3000112.6L64 V240 Y243 L244 I320 P337 Y338 A345L64-F341 HydrophobicContact CB-CZ 4.46Å; L64-F341 HydrophobicContact CD2-CZ 4.24Å; L64-F341 WeakPolarHBondContact O-CE1 3.39Å; L64-F341 WeakPolarHBondContact O-CZ 3.3Å; V240-F341 HydrophobicContact CB-CD1 4.36Å; V240-F341 HydrophobicContact CG1-CB 3.91Å; V240-F341 HydrophobicContact CG1-CD1 3.68Å; V240-F341 HydrophobicContact CG1-CD2 4.4Å; V240-F341 HydrophobicContact CG1-CE1 4.3Å; V240-F341 HydrophobicContact CG1-CG 3.76Å; V240-F341 HydrophobicContact CG2-CD1 3.79Å; V240-F341 HydrophobicContact CG2-CE1 3.86Å; Y243-F341 AromaticContact CD1-CE2 3.64Å; Y243-F341 HydrophobicContact CD1-CE2 3.64Å; Y243-F341 HydrophobicContact CD1-CZ 4.16Å; Y243-F341 AromaticContact CE1-CE2 3.76Å; Y243-F341 HydrophobicContact CE1-CE2 3.76Å; Y243-F341 HydrophobicContact CE1-CZ 4.41Å; L244-F341 HydrophobicContact CD1-CB 3.79Å; L244-F341 HydrophobicContact CD1-CD2 3.74Å; L244-F341 HydrophobicContact CD1-CG 4.05Å; L244-F341 HydrophobicContact CD2-CD2 3.79Å; L244-F341 HydrophobicContact CD2-CE2 4.29Å; L244-F341 HydrophobicContact CG-CD2 3.74Å; L244-F341 HydrophobicContact CG-CE2 4.29Å; L244-F341 HydrophobicContact CG-CG 4.48Å; I320-F341 HydrophobicContact CD1-CB 4.26Å; I320-F341 HydrophobicContact CG2-CB 4.49Å; P337-F341 HydrophobicContact CB-CD2 3.84Å; P337-F341 HydrophobicContact CB-CE2 3.65Å; P337-F341 WeakPolarHBondContact O-CD2 3.48Å; P337-F341 PolarHBondContact O-N 3.08Å; Y338-F341 PolarHBondContact O-N 3.35Å; F341-A345 WeakPolarHBondContact O-CB 3.38Å; F341-A345 PolarHBondContact O-N 3.32Å
342L97.3Very high93Very high28 Ų2847 Ų4715%0.14724%0.236CC..Hα-helixtrans-61.4-51.9174.2-175.167.7000109.5W317 I320 D321 I324 Y338 E339 R340 D344 A345 R346W317-L342 HydrophobicContact CD2-CD1 4.04Å; W317-L342 HydrophobicContact CE3-CD1 3.71Å; W317-L342 HydrophobicContact CE3-CG 4.36Å; W317-L342 HydrophobicContact CH2-CD1 3.95Å; W317-L342 HydrophobicContact CH2-CD2 4.49Å; W317-L342 HydrophobicContact CH2-CG 3.97Å; W317-L342 HydrophobicContact CZ2-CD1 4.26Å; W317-L342 HydrophobicContact CZ3-CD1 3.64Å; W317-L342 HydrophobicContact CZ3-CG 3.79Å; W317-L342 WeakPolarHBondContact CZ3-O 3.46Å; I320-L342 HydrophobicContact CB-CD1 4.11Å; I320-L342 HydrophobicContact CG2-CB 3.71Å; I320-L342 HydrophobicContact CG2-CD1 3.98Å; I320-L342 HydrophobicContact CG2-CG 4.44Å; D321-L342 HydrophobicContact CB-CD1 4.35Å; I324-L342 HydrophobicContact CD1-CB 4.04Å; I324-L342 HydrophobicContact CD1-CD2 3.7Å; I324-L342 HydrophobicContact CD1-CG 4.35Å; Y338-L342 PolarHBondContact O-N 3.33Å; E339-L342 PolarHBondContact O-N 3.48Å; R340-L342 VanDerWaalsContact C-N 3.29Å; R340-L342 PolarHBondContact O-N 3.5Å; L342-D344 PolarHBondContact O-N 3.16Å; L342-A345 PolarHBondContact O-N 3.45Å; L342-R346 PolarHBondContact O-N 3.18Å; L342-R346 VanDerWaalsContact O-N 3.17Å
343R96.3Very high92.6Very high34 Ų3442.2 Ų42.213%0.12821%0.211CC..Hα-helixtrans-55.1-48.4178.9-75.8-171.4-62106.7-8.6112.8D18 F189 E339 R340 R346D18-R343 VanDerWaalsContact CG-NH2 3.34Å; D18-R343 IonicContact OD1-CZ 3.11Å; D18-R343 IonicContact OD1-NH1 3.4Å; D18-R343 PolarHBondContact OD1-NH1 3.25Å; D18-R343 IonicContact OD1-NH2 2.79Å; D18-R343 PolarHBondContact OD1-NH2 3.21Å; D18-R343 IonicContact OD2-CZ 3.9Å; D18-R343 IonicContact OD2-NH1 3.54Å; D18-R343 PolarHBondContact OD2-NH1 3.11Å; D18-R343 IonicContact OD2-NH2 2.71Å; D18-R343 PolarHBondContact OD2-NH2 2.91Å; F189-R343 HydrophobicContact CD1-CB 4.24Å; F189-R343 HydrophobicContact CD1-CG 4.31Å; F189-R343 WeakPolarHBondContact CD1-O 3.49Å; F189-R343 HydrophobicContact CD2-CG 4.36Å; F189-R343 HydrophobicContact CE1-CB 4.13Å; F189-R343 HydrophobicContact CE1-CG 3.93Å; F189-R343 HydrophobicContact CE2-CG 3.95Å; F189-R343 HydrophobicContact CZ-CB 4.44Å; F189-R343 HydrophobicContact CZ-CG 3.73Å; F189-R343 WeakPolarHBondContact O-CB 3.38Å; F189-R343 WeakPolarHBondContact O-CD 3.43Å; F189-R343 PolarHBondContact O-NH1 3.36Å; E339-R343 WeakPolarHBondContact O-CG 3.19Å; E339-R343 PolarHBondContact O-N 2.65Å; E339-R343 IonicContact OE1-NH2 3.48Å; E339-R343 PolarHBondContact OE1-NH2 3.37Å; E339-R343 VanDerWaalsContact OE1-NH2 3.14Å; E339-R343 IonicContact OE2-CZ 2.74Å; E339-R343 IonicContact OE2-NE 2.67Å; E339-R343 PolarHBondContact OE2-NE 3.23Å; E339-R343 IonicContact OE2-NH2 3.2Å; E339-R343 PolarHBondContact OE2-NH2 3.29Å; E339-R343 VanDerWaalsContact OE2-NH2 3.16Å; R340-R343 PolarHBondContact O-N 3.34Å; R343-R346 WeakPolarHBondContact O-CB 3.37Å; R343-R346 PolarHBondContact O-N 2.96Å
344D96.1Very high92.6Very high10 Ų1039.3 Ų39.35%0.05320%0.197CC..Hα-helixtrans-63.5-45.6178.9-68.7-9.7000111.6G66 G190 A191 R340 L342 R346 N347G66-D344 WeakPolarHBondContact CA-OD2 3.43Å; G66-D344 PolarHBondContact N-OD2 2.77Å; G66-D344 VanDerWaalsContact N-OD2 3.14Å; G190-D344 WeakPolarHBondContact CA-OD1 3.42Å; A191-D344 PolarHBondContact N-OD1 3.37Å; R340-D344 WeakPolarHBondContact O-CB 3.42Å; R340-D344 VanDerWaalsContact O-CG 3.27Å; R340-D344 PolarHBondContact O-N 2.93Å; L342-D344 PolarHBondContact O-N 3.16Å; D344-R346 PolarHBondContact O-N 3.27Å; D344-N347 WeakPolarHBondContact O-CB 3.47Å; D344-N347 PolarHBondContact O-N 3.39Å
345A96.5Very high92.9Very high4 Ų433 Ų333%0.03317%0.171CC..Hα-helixtrans-64.5-21.8-178.500000113.5V316 I320 F341 L342 N347 H348V316-A345 HydrophobicContact CG1-CB 3.78Å; I320-A345 HydrophobicContact CD1-CB 3.51Å; F341-A345 WeakPolarHBondContact O-CB 3.38Å; F341-A345 PolarHBondContact O-N 3.32Å; L342-A345 PolarHBondContact O-N 3.45Å; A345-N347 PolarHBondContact O-N 2.85Å; A345-H348 WeakPolarHBondContact O-CB 3.28Å; A345-H348 PolarHBondContact O-N 3.15Å
346R95.7Very high93.2Very high85 Ų8531.3 Ų31.332%0.32116%0.161SC..G310 helixtrans-55.8-36176-172.550-168.372.9-1112.2F189 W317 L342 R343 D344 H348 L349 T350F189-R346 HydrophobicContact CD1-CB 3.51Å; F189-R346 HydrophobicContact CD1-CG 3.72Å; F189-R346 HydrophobicContact CE1-CB 3.61Å; F189-R346 HydrophobicContact CE1-CG 3.87Å; W317-R346 HydrophobicContact CE3-CB 3.98Å; W317-R346 HydrophobicContact CH2-CB 4.13Å; W317-R346 HydrophobicContact CH2-CG 4.21Å; W317-R346 HydrophobicContact CZ3-CB 3.41Å; W317-R346 VanDerWaalsContact CZ3-CB 3.41Å; W317-R346 HydrophobicContact CZ3-CG 3.94Å; L342-R346 PolarHBondContact O-N 3.18Å; L342-R346 VanDerWaalsContact O-N 3.17Å; R343-R346 WeakPolarHBondContact O-CB 3.37Å; R343-R346 PolarHBondContact O-N 2.96Å; D344-R346 PolarHBondContact O-N 3.27Å; R346-H348 PolarHBondContact O-N 3.02Å; R346-L349 PolarHBondContact O-N 2.68Å; R346-T350 PolarHBondContact NH1-OG1 3.29Å; R346-T350 VanDerWaalsContact NH1-OG1 3.15Å
347N92.9Very high93.3Very high31 Ų3135 Ų3517%0.16618%0.18CC..G310 helixtrans-59.6-35.9-179.1-69.1-23.9000110.7G190 A191 D344 A345 L349 T350 S351G190-N347 PolarHBondContact O-ND2 3.08Å; G190-N347 VanDerWaalsContact O-ND2 3.11Å; A191-N347 WeakPolarHBondContact CB-ND2 3.31Å; D344-N347 WeakPolarHBondContact O-CB 3.47Å; D344-N347 PolarHBondContact O-N 3.39Å; A345-N347 PolarHBondContact O-N 2.85Å; N347-L349 PolarHBondContact O-N 3.16Å; N347-T350 PolarHBondContact O-N 2.82Å; N347-S351 WeakPolarHBondContact CB-OG 2.85Å; N347-S351 WeakPolarHBondContact O-CB 2.96Å; N347-S351 PolarHBondContact O-N 3.14Å; N347-S351 PolarHBondContact O-OG 3.43Å; N347-S351 VanDerWaalsContact O-OG 3.08Å
348H94.6Very high93.6Very high12 Ų1234.1 Ų34.16%0.05617%0.174CC..G310 helixtrans-60.7-23.1-178-61.3168.9000114.3W69 T233 K309 S313 A345 R346W69-H348 AromaticContact CH2-CD2 3.99Å; W69-H348 AromaticContact CH2-NE2 3.9Å; W69-H348 AromaticContact CZ3-NE2 3.94Å; T233-H348 HydrophobicContact CG2-CB 3.75Å; K309-H348 WeakPolarHBondContact CE-O 3.2Å; K309-H348 PolarHBondContact NZ-O 3.31Å; S313-H348 WeakPolarHBondContact CB-O 3.01Å; A345-H348 WeakPolarHBondContact O-CB 3.28Å; A345-H348 PolarHBondContact O-N 3.15Å; R346-H348 PolarHBondContact O-N 3.02Å
349L96Very high93.6Very high27 Ų2735 Ų3514%0.14118%0.177CC..G310 helixtrans-76.9-23.5179.4-59.6177.9000113.1E314 W317 R346 N347 N355E314-L349 HydrophobicContact CB-CD2 4.46Å; E314-L349 HydrophobicContact CG-CD2 3.76Å; W317-L349 HydrophobicContact CB-CD1 4.22Å; W317-L349 HydrophobicContact CD2-CD1 4.21Å; W317-L349 HydrophobicContact CG-CD1 3.99Å; R346-L349 PolarHBondContact O-N 2.68Å; N347-L349 PolarHBondContact O-N 3.16Å; L349-N355 PolarHBondContact O-N 2.69Å
350T91Very high93.7Very high66 Ų6635.2 Ų35.241%0.40518%0.179SC..THydrogen-bonded Turntrans-134.3-28.4-167.345.70000114.9R346 N347R346-T350 PolarHBondContact NH1-OG1 3.29Å; R346-T350 VanDerWaalsContact NH1-OG1 3.15Å; N347-T350 PolarHBondContact O-N 2.82Å
351S80.5Confident93.6Very high50 Ų5034.8 Ų34.835%0.3518%0.18SC..SBendtrans-67.3135.2-176.5-650000111.5N347 E353N347-S351 WeakPolarHBondContact CB-OG 2.85Å; N347-S351 WeakPolarHBondContact O-CB 2.96Å; N347-S351 PolarHBondContact O-N 3.14Å; N347-S351 PolarHBondContact O-OG 3.43Å; N347-S351 VanDerWaalsContact O-OG 3.08Å; S351-E353 PolarHBondContact O-N 3.42Å
352M81.8Confident93.6Very high55 Ų5535.2 Ų35.227%0.27118%0.182SC..SBendtrans59.7-40.8-175.3-61.4-149.5-64.500116.4L78 N117 L226 H229L78-M352 HydrophobicContact CD1-CE 3.95Å; L78-M352 HydrophobicContact CD1-SD 3.52Å; L78-M352 VanDerWaalsContact CD1-SD 3.52Å; L78-M352 HydrophobicContact CD2-CE 4.02Å; L78-M352 HydrophobicContact CD2-SD 4.23Å; N117-M352 PolarHBondContact OD1-O 3.22Å; L226-M352 HydrophobicContact CD2-CB 3.93Å; L226-M352 HydrophobicContact CD2-CE 3.92Å; L226-M352 HydrophobicContact CD2-CG 4.42Å; L226-M352 HydrophobicContact CD2-SD 3.72Å; H229-M352 HydrophobicContact CB-CE 3.79Å; H229-M352 WeakPolarHBondContact CD2-CE 3.13Å; H229-M352 WeakPolarHBondContact CE1-CE 3.19Å; H229-M352 WeakPolarHBondContact ND1-CE 3.25Å; H229-M352 WeakPolarHBondContact NE2-CE 2.97Å
353E87.5Confident93.5Very high23 Ų2334 Ų3411%0.10718%0.176CC..SBendtrans-146.1123.1175.1-60-178.911000109.7N117 L226 R230 K309 S351 L358N117-E353 WeakPolarHBondContact OD1-CA 3.49Å; L226-E353 HydrophobicContact CD1-CG 4.45Å; R230-E353 IonicContact CZ-OE1 3.79Å; R230-E353 IonicContact CZ-OE2 3.53Å; R230-E353 IonicContact NE-OE1 2.85Å; R230-E353 IonicContact NE-OE2 2.86Å; R230-E353 PolarHBondContact NE-OE2 3.46Å; R230-E353 IonicContact NH2-OE1 3.22Å; R230-E353 PolarHBondContact NH2-OE1 3.4Å; R230-E353 IonicContact NH2-OE2 3.93Å; R230-E353 PolarHBondContact NH2-OE2 2.91Å; K309-E353 PolarHBondContact NZ-O 3.39Å; S351-E353 PolarHBondContact O-N 3.42Å; E353-L358 HydrophobicContact CB-CD1 4.07Å; E353-L358 HydrophobicContact CB-CD2 4.12Å; E353-L358 HydrophobicContact CB-CG 4.05Å
354S93.5Very high93.3Very high21 Ų2133.4 Ų33.415%0.14718%0.181CC..  trans-72.4146.3173.978.40000111.3N117 D356 I357 L358N117-S354 PolarHBondContact OD1-N 2.76Å; S354-D356 PolarHBondContact O-N 3.09Å; S354-I357 PolarHBondContact O-N 3.34Å; S354-I357 VanDerWaalsContact OG-CG1 3.25Å; S354-I357 WeakPolarHBondContact OG-CG1 3.25Å; S354-I357 PolarHBondContact OG-N 2.92Å; S354-L358 WeakPolarHBondContact O-CG 3.4Å; S354-L358 PolarHBondContact O-N 2.96Å; S354-L358 VanDerWaalsContact O-N 3.09Å
355N96.8Very high93.1Very high7 Ų736.9 Ų36.94%0.03720%0.197CC..Hα-helixtrans-61.2-32.3178.7-74.91000112.9K309 V310 S313 E314 L349 L358 R359K309-N355 PolarHBondContact NZ-OD1 3.38Å; V310-N355 HydrophobicContact CG1-CB 4.36Å; V310-N355 HydrophobicContact CG2-CB 4.19Å; S313-N355 PolarHBondContact OG-ND2 3.49Å; S313-N355 PolarHBondContact OG-OD1 3.02Å; E314-N355 WeakPolarHBondContact CG-ND2 3.3Å; E314-N355 PolarHBondContact OE1-ND2 3.42Å; E314-N355 VanDerWaalsContact OE1-ND2 3.13Å; L349-N355 PolarHBondContact O-N 2.69Å; N355-L358 PolarHBondContact O-N 3.46Å; N355-R359 WeakPolarHBondContact O-CG 3.23Å; N355-R359 PolarHBondContact O-N 3.45Å
356D95.1Very high92.8Very high99 Ų9938 Ų3853%0.52921%0.209SC..Hα-helixtrans-67.9-41178.8-62.8-31.7000112S354 L358 R359 I360S354-D356 PolarHBondContact O-N 3.09Å; D356-L358 VanDerWaalsContact C-N 3.34Å; D356-R359 PolarHBondContact O-N 3.3Å; D356-R359 IonicContact OD1-NH1 3.49Å; D356-I360 WeakPolarHBondContact O-CG1 3.26Å; D356-I360 PolarHBondContact O-N 2.85Å
357I94.1Very high92.3Very high85 Ų8534.3 Ų34.344%0.43620%0.195SC..Hα-helixtrans-65.6-41174.8-65.6-63.4000110.4N117 S354 R359 I360 M361N117-I357 HydrophobicContact CB-CG1 4.4Å; S354-I357 PolarHBondContact O-N 3.34Å; S354-I357 VanDerWaalsContact OG-CG1 3.25Å; S354-I357 WeakPolarHBondContact OG-CG1 3.25Å; S354-I357 PolarHBondContact OG-N 2.92Å; I357-R359 VanDerWaalsContact C-N 3.35Å; I357-R359 PolarHBondContact O-N 3.42Å; I357-I360 PolarHBondContact O-N 3.44Å; I357-M361 WeakPolarHBondContact O-CB 3.15Å; I357-M361 PolarHBondContact O-N 3.02Å
358L96.2Very high91.8Very high0 Ų036.5 Ų36.50%021%0.21CC..Hα-helixtrans-63.5-38.3175.3-69.4177.9000112.5A306 K309 V310 E353 S354 N355 D356 M361 I362A306-L358 HydrophobicContact CB-CB 4.41Å; A306-L358 HydrophobicContact CB-CD2 3.93Å; K309-L358 HydrophobicContact CB-CD1 4.45Å; K309-L358 HydrophobicContact CD-CD1 3.63Å; K309-L358 HydrophobicContact CG-CD1 4.27Å; V310-L358 HydrophobicContact CG2-CB 3.58Å; V310-L358 HydrophobicContact CG2-CD1 3.99Å; V310-L358 HydrophobicContact CG2-CG 4.46Å; E353-L358 HydrophobicContact CB-CD1 4.07Å; E353-L358 HydrophobicContact CB-CD2 4.12Å; E353-L358 HydrophobicContact CB-CG 4.05Å; S354-L358 WeakPolarHBondContact O-CG 3.4Å; S354-L358 PolarHBondContact O-N 2.96Å; S354-L358 VanDerWaalsContact O-N 3.09Å; N355-L358 PolarHBondContact O-N 3.46Å; D356-L358 VanDerWaalsContact C-N 3.34Å; L358-M361 HydrophobicContact CD2-CE 4.05Å; L358-M361 HydrophobicContact CD2-SD 4.42Å; L358-M361 WeakPolarHBondContact O-CB 3.35Å; L358-M361 PolarHBondContact O-N 3.41Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.45Å; L358-I362 WeakPolarHBondContact O-CG1 3.4Å; L358-I362 PolarHBondContact O-N 2.83Å
359R97.7Very high91.2Very high17 Ų1741.6 Ų41.66%0.06424%0.237CC..Hα-helixtrans-62-46.2173.6-79.7-177.5174.492.48112V310 E314 N355 D356 I357 M361 I362 A363 C470 A473 D474V310-R359 HydrophobicContact CG1-CG 4.24Å; E314-R359 IonicContact OE1-CZ 3.07Å; E314-R359 VanDerWaalsContact OE1-CZ 3.22Å; E314-R359 IonicContact OE1-NH1 3.54Å; E314-R359 PolarHBondContact OE1-NH1 3.1Å; E314-R359 IonicContact OE1-NH2 2.79Å; E314-R359 PolarHBondContact OE1-NH2 3.36Å; E314-R359 IonicContact OE2-CZ 2.99Å; E314-R359 IonicContact OE2-NH2 3.39Å; E314-R359 PolarHBondContact OE2-NH2 3.37Å; N355-R359 WeakPolarHBondContact O-CG 3.23Å; N355-R359 PolarHBondContact O-N 3.45Å; D356-R359 PolarHBondContact O-N 3.3Å; D356-R359 IonicContact OD1-NH1 3.49Å; I357-R359 VanDerWaalsContact C-N 3.35Å; I357-R359 PolarHBondContact O-N 3.42Å; R359-M361 VanDerWaalsContact C-N 3.29Å; R359-M361 PolarHBondContact O-N 3.37Å; R359-I362 PolarHBondContact O-N 3.04Å; R359-A363 PolarHBondContact O-N 3.17Å; R359-C470 HydrophobicContact CB-CB 4.4Å; R359-A473 HydrophobicContact CB-CB 3.83Å; R359-A473 HydrophobicContact CG-CB 3.92Å; R359-A473 WeakPolarHBondContact O-CB 3.25Å; R359-D474 IonicContact CZ-OD1 3.42Å; R359-D474 IonicContact NE-OD1 2.76Å; R359-D474 PolarHBondContact NE-OD1 3.33Å; R359-D474 IonicContact NE-OD2 2.69Å; R359-D474 IonicContact NH2-OD1 3.14Å; R359-D474 PolarHBondContact NH2-OD1 2.86Å
360I95.8Very high90.1Very high40 Ų4042.9 Ų42.921%0.20524%0.244CC..Hα-helixtrans-60.4-42.4176.6-68.2165.6000110.2D356 I357 G364 Q466 L469D356-I360 WeakPolarHBondContact O-CG1 3.26Å; D356-I360 PolarHBondContact O-N 2.85Å; I357-I360 PolarHBondContact O-N 3.44Å; I360-G364 WeakPolarHBondContact O-CA 3.41Å; I360-G364 PolarHBondContact O-N 2.87Å; I360-Q466 HydrophobicContact CD1-CB 4.24Å; I360-Q466 HydrophobicContact CD1-CG 3.86Å; I360-Q466 HydrophobicContact CG1-CG 4.37Å; I360-L469 HydrophobicContact CG2-CD1 4.16Å
361M94.1Very high89.3Confident34 Ų3442.3 Ų42.317%0.16724%0.238CC..Hα-helixtrans-62-51.9175.8-171.4-167.878.500111.8L303 A306 I357 L358 R359 A363 G364 E365L303-M361 HydrophobicContact CD2-CE 4.41Å; A306-M361 HydrophobicContact CB-CE 3.36Å; I357-M361 WeakPolarHBondContact O-CB 3.15Å; I357-M361 PolarHBondContact O-N 3.02Å; L358-M361 HydrophobicContact CD2-CE 4.05Å; L358-M361 HydrophobicContact CD2-SD 4.42Å; L358-M361 WeakPolarHBondContact O-CB 3.35Å; L358-M361 PolarHBondContact O-N 3.41Å; R359-M361 VanDerWaalsContact C-N 3.29Å; R359-M361 PolarHBondContact O-N 3.37Å; M361-A363 VanDerWaalsContact C-N 3.32Å; M361-A363 PolarHBondContact O-N 3.14Å; M361-G364 PolarHBondContact O-N 3.38Å; M361-E365 HydrophobicContact CG-CG 4.27Å; M361-E365 VanDerWaalsContact CG-OE1 3.26Å; M361-E365 WeakPolarHBondContact CG-OE1 3.29Å; M361-E365 WeakPolarHBondContact O-CB 3.29Å; M361-E365 PolarHBondContact O-N 3.21Å
362I96.6Very high88.9Confident12 Ų1244.3 Ų44.36%0.06225%0.249CC..Hα-helixtrans-53.2-50179.2-69.7158.8000111A306 A307 V310 L358 R359 G366 A473 A476 I477A306-I362 HydrophobicContact CB-CD1 3.91Å; A306-I362 HydrophobicContact CB-CG1 3.78Å; A307-I362 HydrophobicContact CB-CD1 4.11Å; V310-I362 HydrophobicContact CG2-CD1 4.41Å; L358-I362 WeakPolarHBondContact O-CB 3.46Å; L358-I362 WeakPolarHBondContact O-CD1 3.45Å; L358-I362 WeakPolarHBondContact O-CG1 3.4Å; L358-I362 PolarHBondContact O-N 2.83Å; R359-I362 PolarHBondContact O-N 3.04Å; I362-G366 PolarHBondContact O-N 2.98Å; I362-G366 VanDerWaalsContact O-N 3.14Å; I362-A473 HydrophobicContact CB-CB 4.02Å; I362-A473 HydrophobicContact CG2-CB 3.95Å; I362-A476 HydrophobicContact CG2-CB 4.34Å; I362-I477 HydrophobicContact CD1-CD1 4.26Å; I362-I477 HydrophobicContact CD1-CG1 4.48Å
363A95.8Very high88.3Confident2 Ų245 Ų452%0.01727%0.271CS..Hα-helixtrans-74.4-43.3-178.400000112.3R359 M361 I367 L469 I472 A473R359-A363 PolarHBondContact O-N 3.17Å; M361-A363 VanDerWaalsContact C-N 3.32Å; M361-A363 PolarHBondContact O-N 3.14Å; A363-I367 VanDerWaalsContact O-CB 3.22Å; A363-I367 WeakPolarHBondContact O-CB 3.48Å; A363-I367 WeakPolarHBondContact O-CD1 3.34Å; A363-I367 WeakPolarHBondContact O-CG1 3.45Å; A363-I367 PolarHBondContact O-N 3.23Å; A363-L469 HydrophobicContact CB-CB 3.91Å; A363-L469 HydrophobicContact CB-CD2 3.79Å; A363-L469 HydrophobicContact CB-CG 4.45Å; A363-L469 WeakPolarHBondContact CB-O 3.23Å; A363-I472 HydrophobicContact CB-CB 4.05Å; A363-I472 HydrophobicContact CB-CG2 3.82Å; A363-A473 HydrophobicContact CB-CB 4.34Å
364G91.4Very high87.6Confident22 Ų2245 Ų4523%0.22727%0.271CS..Hα-helixtrans-65.1-50.8-17700000112.8I360 M361 T368I360-G364 WeakPolarHBondContact O-CA 3.41Å; I360-G364 PolarHBondContact O-N 2.87Å; M361-G364 PolarHBondContact O-N 3.38Å; G364-T368 WeakPolarHBondContact O-CB 3.47Å; G364-T368 PolarHBondContact O-N 2.8Å; G364-T368 VanDerWaalsContact O-N 3.07Å; G364-T368 PolarHBondContact O-OG1 3.07Å
365E91.4Very high86.8Confident83 Ų8348.7 Ų48.739%0.38829%0.286SS..Hα-helixtrans-68.5-46.2177.5-67-180-169.100110.5L303 M361 I367 T368 D369L303-E365 HydrophobicContact CD1-CB 4.37Å; L303-E365 HydrophobicContact CD2-CB 3.7Å; L303-E365 HydrophobicContact CD2-CG 4.49Å; L303-E365 WeakPolarHBondContact CD2-OE2 3.29Å; M361-E365 HydrophobicContact CG-CG 4.27Å; M361-E365 VanDerWaalsContact CG-OE1 3.26Å; M361-E365 WeakPolarHBondContact CG-OE1 3.29Å; M361-E365 WeakPolarHBondContact O-CB 3.29Å; M361-E365 PolarHBondContact O-N 3.21Å; E365-I367 VanDerWaalsContact C-N 3.31Å; E365-I367 PolarHBondContact O-N 3.32Å; E365-T368 WeakPolarHBondContact O-CA 3.4Å; E365-T368 WeakPolarHBondContact O-CB 3.46Å; E365-T368 PolarHBondContact O-N 3.39Å; E365-D369 PolarHBondContact O-N 3.17Å
366G89.9Confident85.6Confident28 Ų2855.8 Ų55.829%0.28932%0.316SS..Hα-helixtrans-62.5-32.3178.900000114.4I362I362-G366 PolarHBondContact O-N 2.98Å; I362-G366 VanDerWaalsContact O-N 3.14Å
367I86.2Confident84.5Confident6 Ų652.9 Ų52.93%0.03130%0.302CS..Hα-helixtrans-75.5-31.1171.7-69167.7000111.2A363 E365 D369 I370 C451 L455 I462 L469 I472A363-I367 VanDerWaalsContact O-CB 3.22Å; A363-I367 WeakPolarHBondContact O-CB 3.48Å; A363-I367 WeakPolarHBondContact O-CD1 3.34Å; A363-I367 WeakPolarHBondContact O-CG1 3.45Å; A363-I367 PolarHBondContact O-N 3.23Å; E365-I367 VanDerWaalsContact C-N 3.31Å; E365-I367 PolarHBondContact O-N 3.32Å; I367-D369 VanDerWaalsContact C-N 3.3Å; I367-I370 HydrophobicContact CG2-CG1 4.48Å; I367-I370 WeakPolarHBondContact O-CG1 3.27Å; I367-I370 PolarHBondContact O-N 3.34Å; I367-C451 HydrophobicContact CG1-CB 4.32Å; I367-L455 HydrophobicContact CG2-CB 4.25Å; I367-L455 HydrophobicContact CG2-CD1 3.99Å; I367-L455 HydrophobicContact CG2-CD2 4.06Å; I367-L455 HydrophobicContact CG2-CG 4.34Å; I367-I462 HydrophobicContact CD1-CD1 3.84Å; I367-L469 HydrophobicContact CD1-CD2 4.07Å; I367-I472 HydrophobicContact CD1-CD1 3.79Å; I367-I472 HydrophobicContact CD1-CG2 4.32Å
368T82.8Confident83.4Confident78 Ų7850 Ų5048%0.47929%0.288SS..Hα-helixtrans-67.1-36.7177.9-60.60000110.9G364 E365 I370 I371 P372G364-T368 WeakPolarHBondContact O-CB 3.47Å; G364-T368 PolarHBondContact O-N 2.8Å; G364-T368 VanDerWaalsContact O-N 3.07Å; G364-T368 PolarHBondContact O-OG1 3.07Å; E365-T368 WeakPolarHBondContact O-CA 3.4Å; E365-T368 WeakPolarHBondContact O-CB 3.46Å; E365-T368 PolarHBondContact O-N 3.39Å; T368-I370 PolarHBondContact O-N 3.4Å; T368-I371 HydrophobicContact CG2-CD1 4.25Å; T368-I371 WeakPolarHBondContact O-CB 3.44Å; T368-I371 PolarHBondContact O-N 2.95Å; T368-P372 WeakPolarHBondContact O-CD 3.32Å
369D79.9Confident82.2Confident118 Ų11853.3 Ų53.363%0.63131%0.31SS*.THydrogen-bonded Turntrans-63.2-20.7177.6-73.4-15.9000114.1E365 I367E365-D369 PolarHBondContact O-N 3.17Å; I367-D369 VanDerWaalsContact C-N 3.3Å
370I74.2Confident81Confident54 Ų5456.5 Ų56.528%0.27733%0.329SS..THydrogen-bonded Turntrans-90.6-5.6175.965.8158.7000113.7I367 T368 F374 C451 Q452 L455I367-I370 HydrophobicContact CG2-CG1 4.48Å; I367-I370 WeakPolarHBondContact O-CG1 3.27Å; I367-I370 PolarHBondContact O-N 3.34Å; T368-I370 PolarHBondContact O-N 3.4Å; I370-F374 VanDerWaalsContact O-CB 3.3Å; I370-F374 WeakPolarHBondContact O-CB 3.13Å; I370-C451 HydrophobicContact CD1-CB 4.15Å; I370-Q452 HydrophobicContact CD1-CG 4.28Å; I370-L455 HydrophobicContact CD1-CD2 4.4Å
371I73.5Confident79.7Confident54 Ų5455.2 Ų55.228%0.27732%0.322SS..  trans-65-48.1180-66.6172.5000111.3T368 G373 F374 E375 L455T368-I371 HydrophobicContact CG2-CD1 4.25Å; T368-I371 WeakPolarHBondContact O-CB 3.44Å; T368-I371 PolarHBondContact O-N 2.95Å; I371-G373 PolarHBondContact O-N 3.41Å; I371-G373 VanDerWaalsContact O-N 3.17Å; I371-F374 PolarHBondContact O-N 2.77Å; I371-E375 HydrophobicContact CG2-CG 3.96Å; I371-E375 PolarHBondContact O-N 3.46Å; I371-L455 HydrophobicContact CG1-CD2 3.87Å
372P71.9Confident78.4Confident92 Ų9254.8 Ų54.860%0.59732%0.323SS*.THydrogen-bonded Turntrans-56.5118.8177.8-25.336.5000111.9T368 E375T368-P372 WeakPolarHBondContact O-CD 3.32Å; P372-E375 WeakPolarHBondContact CA-OE1 3.21Å
373G70.7Confident76.5Confident71 Ų7157.9 Ų57.973%0.73234%0.342SS*.THydrogen-bonded Turntrans91.7-12.1-176.600000114.9I371 E375I371-G373 PolarHBondContact O-N 3.41Å; I371-G373 VanDerWaalsContact O-N 3.17Å; G373-E375 VanDerWaalsContact CA-OE2 3.31Å; G373-E375 WeakPolarHBondContact CA-OE2 3.12Å; G373-E375 PolarHBondContact N-OE1 2.99Å; G373-E375 PolarHBondContact N-OE2 3.36Å
374F72.2Confident74.5Confident22 Ų2263.1 Ų63.110%0.09636%0.362CS..THydrogen-bonded Turntrans-105.8-4177.8-160.5-120.4000113.3I370 I371 K376 T377 I378 Q452 I456I370-F374 VanDerWaalsContact O-CB 3.3Å; I370-F374 WeakPolarHBondContact O-CB 3.13Å; I371-F374 PolarHBondContact O-N 2.77Å; F374-K376 PolarHBondContact O-N 3.16Å; F374-T377 HydrophobicContact CD2-CG2 4.16Å; F374-T377 HydrophobicContact CE1-CG2 4.29Å; F374-T377 HydrophobicContact CE2-CG2 3.41Å; F374-T377 VanDerWaalsContact CE2-CG2 3.41Å; F374-T377 HydrophobicContact CZ-CG2 3.48Å; F374-T377 VanDerWaalsContact CZ-CG2 3.48Å; F374-T377 WeakPolarHBondContact O-CB 3.5Å; F374-T377 PolarHBondContact O-N 2.98Å; F374-I378 HydrophobicContact CD1-CD1 3.76Å; F374-I378 HydrophobicContact CD1-CG1 3.41Å; F374-I378 VanDerWaalsContact CD1-CG1 3.41Å; F374-I378 HydrophobicContact CE1-CG1 3.76Å; F374-I378 HydrophobicContact CG-CG1 4.32Å; F374-I378 WeakPolarHBondContact O-CG1 3.18Å; F374-I378 PolarHBondContact O-N 2.89Å; F374-Q452 HydrophobicContact CD1-CG 4.39Å; F374-Q452 HydrophobicContact CE1-CB 3.86Å; F374-Q452 HydrophobicContact CE1-CG 3.78Å; F374-Q452 HydrophobicContact CE2-CG 4.14Å; F374-Q452 HydrophobicContact CZ-CB 3.75Å; F374-Q452 HydrophobicContact CZ-CG 3.63Å; F374-I456 HydrophobicContact CE1-CD1 4.1Å; F374-I456 HydrophobicContact CE1-CG1 4.21Å; F374-I456 HydrophobicContact CZ-CD1 4.02Å
375E76Confident72.7Confident98 Ų9864.6 Ų64.646%0.45837%0.367SS..Hα-helixtrans-58.7-43.6-171.3-55.192.4151.500112.6I371 P372 G373 T377 I378 S379I371-E375 HydrophobicContact CG2-CG 3.96Å; I371-E375 PolarHBondContact O-N 3.46Å; P372-E375 WeakPolarHBondContact CA-OE1 3.21Å; G373-E375 VanDerWaalsContact CA-OE2 3.31Å; G373-E375 WeakPolarHBondContact CA-OE2 3.12Å; G373-E375 PolarHBondContact N-OE1 2.99Å; G373-E375 PolarHBondContact N-OE2 3.36Å; E375-T377 VanDerWaalsContact C-N 3.29Å; E375-T377 PolarHBondContact O-N 3.24Å; E375-I378 PolarHBondContact O-N 3.32Å; E375-S379 WeakPolarHBondContact O-CB 3.27Å; E375-S379 PolarHBondContact O-N 3.43Å
376K72.7Confident71Confident156 Ų15670.2 Ų70.268%0.67838%0.384SS*.Hα-helixtrans-61-40.9177.6-173.7176-179.2177.50111.3F374 S379 D380F374-K376 PolarHBondContact O-N 3.16Å; K376-S379 PolarHBondContact O-N 3.46Å; K376-D380 VanDerWaalsContact O-CB 3.26Å; K376-D380 WeakPolarHBondContact O-CB 3.5Å; K376-D380 PolarHBondContact O-N 3.33Å
377T70.6Confident69.3Low39 Ų3974.7 Ų74.724%0.23940%0.397CS..Hα-helixtrans-68.1-40.5178.6-58.90000111.4F374 E375 L381F374-T377 HydrophobicContact CD2-CG2 4.16Å; F374-T377 HydrophobicContact CE1-CG2 4.29Å; F374-T377 HydrophobicContact CE2-CG2 3.41Å; F374-T377 VanDerWaalsContact CE2-CG2 3.41Å; F374-T377 HydrophobicContact CZ-CG2 3.48Å; F374-T377 VanDerWaalsContact CZ-CG2 3.48Å; F374-T377 WeakPolarHBondContact O-CB 3.5Å; F374-T377 PolarHBondContact O-N 2.98Å; E375-T377 VanDerWaalsContact C-N 3.29Å; E375-T377 PolarHBondContact O-N 3.24Å; T377-L381 HydrophobicContact CG2-CD1 3.52Å; T377-L381 HydrophobicContact CG2-CG 4.42Å; T377-L381 VanDerWaalsContact O-CB 3.29Å; T377-L381 WeakPolarHBondContact O-CB 3.46Å; T377-L381 WeakPolarHBondContact O-CD1 3.26Å; T377-L381 VanDerWaalsContact O-CG 3.25Å; T377-L381 WeakPolarHBondContact O-CG 3.19Å; T377-L381 PolarHBondContact O-N 3.31Å
378I70.7Confident67.5Low25 Ų2580.4 Ų80.413%0.12844%0.435CS..Hα-helixtrans-62-50.8173.8-61.8166000109.8F374 E375 L381 S382 L455F374-I378 HydrophobicContact CD1-CD1 3.76Å; F374-I378 HydrophobicContact CD1-CG1 3.41Å; F374-I378 VanDerWaalsContact CD1-CG1 3.41Å; F374-I378 HydrophobicContact CE1-CG1 3.76Å; F374-I378 HydrophobicContact CG-CG1 4.32Å; F374-I378 WeakPolarHBondContact O-CG1 3.18Å; F374-I378 PolarHBondContact O-N 2.89Å; E375-I378 PolarHBondContact O-N 3.32Å; I378-L381 PolarHBondContact O-N 3.09Å; I378-S382 WeakPolarHBondContact O-CA 3.41Å; I378-S382 WeakPolarHBondContact O-CB 3.5Å; I378-S382 PolarHBondContact O-N 3.33Å; I378-S382 PolarHBondContact O-OG 2.71Å; I378-L455 HydrophobicContact CD1-CD2 3.42Å; I378-L455 VanDerWaalsContact CD1-CD2 3.42Å; I378-L455 HydrophobicContact CD1-CG 3.86Å; I378-L455 HydrophobicContact CG1-CD2 4.18Å; I378-L455 HydrophobicContact CG1-CG 4.33Å
379S72Confident66Low68 Ų6884.6 Ų84.648%0.47645%0.453SS..Hα-helixtrans-57.5-53.5179.4179.90000111.1E375 K376 L381 S382 V383E375-S379 WeakPolarHBondContact O-CB 3.27Å; E375-S379 PolarHBondContact O-N 3.43Å; K376-S379 PolarHBondContact O-N 3.46Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 3.37Å; S379-S382 PolarHBondContact O-N 2.87Å; S379-S382 PolarHBondContact O-OG 3.13Å; S379-V383 WeakPolarHBondContact O-CG2 3.41Å; S379-V383 PolarHBondContact O-N 2.7Å
380D73.1Confident64.7Low84 Ų8480.8 Ų80.845%0.44943%0.434SS..Hα-helixtrans-58.7-39.5-178.7-71.7-12.5000111.3K376 Y384K376-D380 VanDerWaalsContact O-CB 3.26Å; K376-D380 WeakPolarHBondContact O-CB 3.5Å; K376-D380 PolarHBondContact O-N 3.33Å; D380-Y384 WeakPolarHBondContact O-CD2 3.1Å; D380-Y384 WeakPolarHBondContact O-CE2 3.37Å
381L67.3Low63.8Low14 Ų1481.1 Ų81.17%0.07344%0.441CS..Hα-helixtrans-91-27.1-174.4-62.9169.5000114.5T377 I378 S379 Y384 T385 I456T377-L381 HydrophobicContact CG2-CD1 3.52Å; T377-L381 HydrophobicContact CG2-CG 4.42Å; T377-L381 VanDerWaalsContact O-CB 3.29Å; T377-L381 WeakPolarHBondContact O-CB 3.46Å; T377-L381 WeakPolarHBondContact O-CD1 3.26Å; T377-L381 VanDerWaalsContact O-CG 3.25Å; T377-L381 WeakPolarHBondContact O-CG 3.19Å; T377-L381 PolarHBondContact O-N 3.31Å; I378-L381 PolarHBondContact O-N 3.09Å; S379-L381 VanDerWaalsContact C-N 3.27Å; S379-L381 PolarHBondContact O-N 3.37Å; L381-Y384 PolarHBondContact O-N 3.49Å; L381-T385 PolarHBondContact O-N 2.88Å; L381-I456 HydrophobicContact CB-CD1 4.31Å; L381-I456 HydrophobicContact CB-CG1 4.3Å; L381-I456 HydrophobicContact CB-CG2 3.55Å; L381-I456 HydrophobicContact CD1-CD1 3.54Å; L381-I456 HydrophobicContact CD1-CG1 4.34Å
382S66.5Low63.4Low25 Ų2585.9 Ų85.918%0.17547%0.465CS..Hα-helixtrans-71.3-3117961.90000112.8I378 S379 Y384 T385 R386I378-S382 WeakPolarHBondContact O-CA 3.41Å; I378-S382 WeakPolarHBondContact O-CB 3.5Å; I378-S382 PolarHBondContact O-N 3.33Å; I378-S382 PolarHBondContact O-OG 2.71Å; S379-S382 PolarHBondContact O-N 2.87Å; S379-S382 PolarHBondContact O-OG 3.13Å; S382-Y384 PolarHBondContact O-N 2.87Å; S382-T385 WeakPolarHBondContact CA-OG1 2.99Å; S382-T385 PolarHBondContact O-N 2.76Å; S382-T385 PolarHBondContact O-OG1 3.04Å; S382-R386 PolarHBondContact O-N 3.18Å
383V57.5Low62.8Low76 Ų7688.6 Ų88.646%0.46147%0.468SS..Hα-helixtrans-56.2-39.7171172.10000110.1S379 H387S379-V383 WeakPolarHBondContact O-CG2 3.41Å; S379-V383 PolarHBondContact O-N 2.7Å; V383-H387 PolarHBondContact O-CD2 3Å
384Y53.7Low62.2Low112 Ų11285.6 Ų85.644%0.43944%0.436SS..Hα-helixtrans-75.9-37-179.3-62.5-71.3000112.7D380 L381 S382 R386 H387 T390 T394D380-Y384 WeakPolarHBondContact O-CD2 3.1Å; D380-Y384 WeakPolarHBondContact O-CE2 3.37Å; L381-Y384 PolarHBondContact O-N 3.49Å; S382-Y384 PolarHBondContact O-N 2.87Å; Y384-R386 PolarHBondContact O-N 3.44Å; Y384-H387 PolarHBondContact O-N 2.88Å; Y384-T390 WeakPolarHBondContact O-CG2 3.48Å; Y384-T394 HydrophobicContact CG-CG2 4.18Å
385T54.5Low61.8Low54 Ų5491.4 Ų91.433%0.33146%0.461SS..Hα-helixtrans-63.5-24.8178.850.50000113.1L381 S382 L398 I456L381-T385 PolarHBondContact O-N 2.88Å; S382-T385 WeakPolarHBondContact CA-OG1 2.99Å; S382-T385 PolarHBondContact O-N 2.76Å; S382-T385 PolarHBondContact O-OG1 3.04Å; T385-L398 HydrophobicContact CG2-CD1 4.28Å; T385-I456 HydrophobicContact CG2-CG2 4.18Å
386R55.2Low61.3Low200 Ų20092.9 Ų92.976%0.75546%0.462SS*.THydrogen-bonded Turntrans-83.4-12178.7-68-179.9176.1-179.3-2.6115.3S382 Y384S382-R386 PolarHBondContact O-N 3.18Å; Y384-R386 PolarHBondContact O-N 3.44Å
387H54.1Low60.9Low122 Ų12288 Ų8857%0.56544%0.443SS*.  trans-108123.5-180-70.8-62.9000112.1V383 Y384 I389 T390V383-H387 PolarHBondContact O-CD2 3Å; Y384-H387 PolarHBondContact O-N 2.88Å; H387-I389 PolarHBondContact O-N 3.3Å; H387-T390 WeakPolarHBondContact O-CG2 3.36Å; H387-T390 PolarHBondContact O-N 2.87Å
388P49.1Very low60.7Low127 Ų12787.9 Ų87.983%0.82544%0.441SS*.SBendtrans-65-22.1-176.420.8-29.5000114.3T390P388-T390 VanDerWaalsContact C-N 3.27Å; P388-T390 PolarHBondContact O-N 3.33Å
389I50.8Low60.5Low165 Ų16592.8 Ų92.885%0.84646%0.461SS*.SBendtrans-92.345.6180-47171.2000110.8H387 S391H387-I389 PolarHBondContact O-N 3.3Å; I389-S391 PolarHBondContact O-N 3.29Å
390T51.9Low60.2Low39 Ų3993.5 Ų93.524%0.23945%0.454CS..  trans-68.8130.618024.60000112.9Y384 H387 P388Y384-T390 WeakPolarHBondContact O-CG2 3.48Å; H387-T390 WeakPolarHBondContact O-CG2 3.36Å; H387-T390 PolarHBondContact O-N 2.87Å; P388-T390 VanDerWaalsContact C-N 3.27Å; P388-T390 PolarHBondContact O-N 3.33Å
391S56.9Low59.9Low61 Ų6191.1 Ų91.143%0.42744%0.438SS..  trans-56144175.483.90000111.3I389 K393 T394I389-S391 PolarHBondContact O-N 3.29Å; S391-K393 PolarHBondContact O-N 2.77Å; S391-K393 WeakPolarHBondContact OG-CB 3.29Å; S391-K393 PolarHBondContact OG-N 2.94Å; S391-T394 PolarHBondContact O-N 3.34Å
392I64.5Low59.5Low153 Ų15394.1 Ų94.179%0.78545%0.451SS*.Hα-helixtrans-45.4-31.9173.7-67.3168.9000111.7T394 W396I392-T394 PolarHBondContact O-N 3.44Å; I392-W396 VanDerWaalsContact O-CB 3.24Å; I392-W396 WeakPolarHBondContact O-CB 3.4Å; I392-W396 PolarHBondContact O-N 2.54Å
393K58.4Low59.3Low150 Ų15098.7 Ų98.765%0.65247%0.469SS*.Hα-helixtrans-61.1-40.3178.5-162.1178.8-179.2-1790113S391 W396 L397S391-K393 PolarHBondContact O-N 2.77Å; S391-K393 WeakPolarHBondContact OG-CB 3.29Å; S391-K393 PolarHBondContact OG-N 2.94Å; K393-W396 PolarHBondContact O-N 3.04Å; K393-L397 HydrophobicContact CG-CD1 4.24Å; K393-L397 WeakPolarHBondContact O-CB 3.23Å; K393-L397 VanDerWaalsContact O-CG 3.25Å; K393-L397 WeakPolarHBondContact O-CG 3.45Å; K393-L397 PolarHBondContact O-N 2.77Å
394T58.8Low59.1Low8 Ų895.3 Ų95.35%0.04945%0.45CS..Hα-helixtrans-74.1-45.7-178.4-50.60000111.7Y384 S391 I392 W396 L397 L398Y384-T394 HydrophobicContact CG-CG2 4.18Å; S391-T394 PolarHBondContact O-N 3.34Å; I392-T394 PolarHBondContact O-N 3.44Å; T394-W396 PolarHBondContact O-N 3.37Å; T394-L397 PolarHBondContact O-N 3.2Å; T394-L397 VanDerWaalsContact O-N 3.16Å; T394-L398 HydrophobicContact CG2-CD1 4.14Å; T394-L398 PolarHBondContact O-N 3.33Å
395K63.8Low58.9Low144 Ų14494.6 Ų94.663%0.62645%0.449SS*.Hα-helixtrans-56.9-40.2172.4-77.5-176.4179.8175.10110.9K399K395-K399 WeakPolarHBondContact O-CB 3.38Å; K395-K399 PolarHBondContact O-N 2.93Å
396W65Low58.7Low128 Ų12897.1 Ų97.149%0.48545%0.453SS..Hα-helixtrans-67.6-42.1175.9-174.486.7000113.2I392 K393 T394 K399 R400I392-W396 VanDerWaalsContact O-CB 3.24Å; I392-W396 WeakPolarHBondContact O-CB 3.4Å; I392-W396 PolarHBondContact O-N 2.54Å; K393-W396 PolarHBondContact O-N 3.04Å; T394-W396 PolarHBondContact O-N 3.37Å; W396-K399 PolarHBondContact O-N 3.02Å; W396-R400 HydrophobicContact CD2-CG 4.1Å; W396-R400 HydrophobicContact CE3-CG 4.35Å; W396-R400 VanDerWaalsContact CZ2-CD 3.49Å; W396-R400 VanDerWaalsContact CZ3-CD 3.48Å; W396-R400 WeakPolarHBondContact O-CB 3.11Å; W396-R400 VanDerWaalsContact O-CG 3.3Å; W396-R400 WeakPolarHBondContact O-CG 3.32Å; W396-R400 PolarHBondContact O-N 2.99Å
397L64.3Low58.3Low54 Ų5488.1 Ų88.128%0.28342%0.421SS..Hα-helixtrans-63.5-45.1176.1-78.3165.2000112.1K393 T394 R400 R401K393-L397 HydrophobicContact CG-CD1 4.24Å; K393-L397 WeakPolarHBondContact O-CB 3.23Å; K393-L397 VanDerWaalsContact O-CG 3.25Å; K393-L397 WeakPolarHBondContact O-CG 3.45Å; K393-L397 PolarHBondContact O-N 2.77Å; T394-L397 PolarHBondContact O-N 3.2Å; T394-L397 VanDerWaalsContact O-N 3.16Å; L397-R400 PolarHBondContact O-N 3.32Å; L397-R401 PolarHBondContact O-N 2.85Å
398L65.8Low57.8Low37 Ų3786.2 Ų86.219%0.19443%0.426CS..Hα-helixtrans-63.7-44.3175-75.1167.5000111.2T385 T394 R400 R401 K402 V453 I456T385-L398 HydrophobicContact CG2-CD1 4.28Å; T394-L398 HydrophobicContact CG2-CD1 4.14Å; T394-L398 PolarHBondContact O-N 3.33Å; L398-R400 PolarHBondContact O-N 2.93Å; L398-R401 PolarHBondContact O-N 3.23Å; L398-K402 WeakPolarHBondContact O-CB 3.22Å; L398-K402 PolarHBondContact O-N 3.04Å; L398-V453 HydrophobicContact CD2-CG1 4.46Å; L398-V453 HydrophobicContact CD2-CG2 4.49Å; L398-I456 HydrophobicContact CD2-CG2 4.21Å
399K67.4Low57.7Low128 Ų12885.1 Ų85.156%0.55741%0.41SS*.Hα-helixtrans-60.4-44.7175-174.3176.5-179.51790111.7K395 W396 R401 K402 Q403K395-K399 WeakPolarHBondContact O-CB 3.38Å; K395-K399 PolarHBondContact O-N 2.93Å; W396-K399 PolarHBondContact O-N 3.02Å; K399-R401 VanDerWaalsContact C-N 3.34Å; K399-R401 PolarHBondContact O-N 2.78Å; K399-K402 PolarHBondContact O-N 2.88Å; K399-Q403 HydrophobicContact CG-CG 4.36Å; K399-Q403 VanDerWaalsContact O-CB 3.27Å; K399-Q403 WeakPolarHBondContact O-CB 3.41Å; K399-Q403 WeakPolarHBondContact O-CG 3.48Å; K399-Q403 PolarHBondContact O-N 2.85Å
400R66.5Low57.3Low83 Ų8378.7 Ų78.731%0.31338%0.382SS..Hα-helixtrans-62-39.3176.2-77.8-17462.7159.70.5112.4W396 L397 L398 G404 K405W396-R400 HydrophobicContact CD2-CG 4.1Å; W396-R400 HydrophobicContact CE3-CG 4.35Å; W396-R400 VanDerWaalsContact CZ2-CD 3.49Å; W396-R400 VanDerWaalsContact CZ3-CD 3.48Å; W396-R400 WeakPolarHBondContact O-CB 3.11Å; W396-R400 VanDerWaalsContact O-CG 3.3Å; W396-R400 WeakPolarHBondContact O-CG 3.32Å; W396-R400 PolarHBondContact O-N 2.99Å; L397-R400 PolarHBondContact O-N 3.32Å; L398-R400 PolarHBondContact O-N 2.93Å; R400-G404 PolarHBondContact O-N 2.8Å; R400-K405 HydrophobicContact CB-CB 4.45Å; R400-K405 HydrophobicContact CB-CD 4.32Å; R400-K405 HydrophobicContact CG-CD 3.92Å; R400-K405 VanDerWaalsContact CZ-CD 3.44Å; R400-K405 PolarHBondContact O-N 3.14Å
401R66.4Low56.9Low33 Ų3379.4 Ų79.413%0.12540%0.397CS..Hα-helixtrans-66.3-50.1174.6-80.7-172.1173.1106.5-8111.2L397 L398 K399 Q403 G404 Y406 S449 V453L397-R401 PolarHBondContact O-N 2.85Å; L398-R401 PolarHBondContact O-N 3.23Å; K399-R401 VanDerWaalsContact C-N 3.34Å; K399-R401 PolarHBondContact O-N 2.78Å; R401-Q403 VanDerWaalsContact C-N 3.26Å; R401-Q403 PolarHBondContact O-N 2.68Å; R401-G404 WeakPolarHBondContact O-CA 3.41Å; R401-G404 PolarHBondContact O-N 2.77Å; R401-Y406 HydrophobicContact CG-CE2 4.07Å; R401-S449 VanDerWaalsContact O-CB 3.28Å; R401-S449 WeakPolarHBondContact O-CB 3.43Å; R401-V453 HydrophobicContact CB-CG2 3.89Å
402K59.1Low56.1Low78 Ų7880.8 Ų80.834%0.33941%0.407SS..Hα-helixtrans-58.9-36.7177-169.1174.6-178.6176.60112.5L398 K399 G404L398-K402 WeakPolarHBondContact O-CB 3.22Å; L398-K402 PolarHBondContact O-N 3.04Å; K399-K402 PolarHBondContact O-N 2.88Å; K402-G404 PolarHBondContact O-N 3.43Å
403Q61Low54.9Low121 Ų12175.8 Ų75.857%0.56539%0.393SS*.THydrogen-bonded Turntrans-73.7-1.3174.5-73.5178.7-25.300114K399 R401 K405K399-Q403 HydrophobicContact CG-CG 4.36Å; K399-Q403 VanDerWaalsContact O-CB 3.27Å; K399-Q403 WeakPolarHBondContact O-CB 3.41Å; K399-Q403 WeakPolarHBondContact O-CG 3.48Å; K399-Q403 PolarHBondContact O-N 2.85Å; R401-Q403 VanDerWaalsContact C-N 3.26Å; R401-Q403 PolarHBondContact O-N 2.68Å; Q403-K405 PolarHBondContact O-N 3.47Å
404G53.1Low54.1Low4 Ų474.5 Ų74.54%0.04140%0.4CS..THydrogen-bonded Turntrans63.439.2179.700000112.8R400 R401 K402 Y406 A407R400-G404 PolarHBondContact O-N 2.8Å; R401-G404 WeakPolarHBondContact O-CA 3.41Å; R401-G404 PolarHBondContact O-N 2.77Å; K402-G404 PolarHBondContact O-N 3.43Å; G404-Y406 PolarHBondContact O-N 2.99Å; G404-A407 VanDerWaalsContact O-CA 3.31Å; G404-A407 WeakPolarHBondContact O-CA 3.42Å; G404-A407 WeakPolarHBondContact O-CB 3.48Å; G404-A407 PolarHBondContact O-N 3.17Å
405K50.3Low53.2Low98 Ų9881.8 Ų81.843%0.42643%0.431SS..THydrogen-bonded Turntrans-60-15.5176.7-118.1-173.8179.6-176.40113.9R400 Q403R400-K405 HydrophobicContact CB-CB 4.45Å; R400-K405 HydrophobicContact CB-CD 4.32Å; R400-K405 HydrophobicContact CG-CD 3.92Å; R400-K405 VanDerWaalsContact CZ-CD 3.44Å; R400-K405 PolarHBondContact O-N 3.14Å; Q403-K405 PolarHBondContact O-N 3.47Å
406Y51.2Low51.8Low107 Ų10778.4 Ų78.442%0.4242%0.422SS..THydrogen-bonded Turntrans-81.8-20.8168.1-61.3-73000113.2R401 G404 A408 Q409R401-Y406 HydrophobicContact CG-CE2 4.07Å; G404-Y406 PolarHBondContact O-N 2.99Å; Y406-A408 VanDerWaalsContact C-N 3.32Å; Y406-Q409 WeakPolarHBondContact O-CB 3.46Å; Y406-Q409 PolarHBondContact O-N 2.72Å
407A46.6Very low50.6Low11 Ų1175.3 Ų75.39%0.09142%0.417CS..G310 helixtrans-70.7-24.6171.500000112.9G404 Q409 A410 V442 Q445 R446G404-A407 VanDerWaalsContact O-CA 3.31Å; G404-A407 WeakPolarHBondContact O-CA 3.42Å; G404-A407 WeakPolarHBondContact O-CB 3.48Å; G404-A407 PolarHBondContact O-N 3.17Å; A407-Q409 PolarHBondContact O-N 3.48Å; A407-Q409 VanDerWaalsContact O-N 3.11Å; A407-A410 WeakPolarHBondContact O-CB 3.33Å; A407-A410 PolarHBondContact O-N 2.7Å; A407-V442 HydrophobicContact CB-CG1 4.43Å; A407-Q445 HydrophobicContact CB-CB 4.07Å; A407-Q445 HydrophobicContact CB-CG 3.88Å; A407-R446 HydrophobicContact CB-CG 4.22Å
408A43.6Very low49.5Very low81 Ų8182.7 Ų82.767%0.66945%0.451SS*.G310 helixtrans-64.5-10.3170.200000113.5Y406Y406-A408 VanDerWaalsContact C-N 3.32Å
409Q45.7Very low48.1Very low104 Ų10483.8 Ų83.849%0.48647%0.471SS..G310 helixtrans-94.81172.2-59.3179-14.700112.8Y406 A407 G411Y406-Q409 WeakPolarHBondContact O-CB 3.46Å; Y406-Q409 PolarHBondContact O-N 2.72Å; A407-Q409 PolarHBondContact O-N 3.48Å; A407-Q409 VanDerWaalsContact O-N 3.11Å; Q409-G411 PolarHBondContact O-N 3.49Å
410A43Very low46.8Very low30 Ų3084.2 Ų84.225%0.24848%0.479CS..THydrogen-bonded Turntrans-67.5121173.300000109A407 V442A407-A410 WeakPolarHBondContact O-CB 3.33Å; A407-A410 PolarHBondContact O-N 2.7Å; A410-V442 HydrophobicContact CB-CG2 3.99Å
411G43.3Very low45.8Very low55 Ų5582.8 Ų82.857%0.56749%0.485SS*.THydrogen-bonded Turntrans87-3.6179.600000116.9Q409Q409-G411 PolarHBondContact O-N 3.49Å
412S39.6Very low45Very low90 Ų9083.2 Ų83.263%0.62949%0.493SS*.SBendtrans-117.920.2-173.255.20000116.1
413G39.5Very low45Very low47 Ų4783.8 Ų83.849%0.48549%0.493SS..SBendtrans-158152.4171.700000114.2K415G413-K415 PolarHBondContact O-N 3.07Å
414P41.8Very low45.6Very low124 Ų12479.8 Ų79.881%0.80548%0.476SS*.  trans-77.6102172.430.5-27.5000107.2
415K39.5Very low47Very low160 Ų16082.4 Ų82.470%0.69649%0.488SS*.  trans-175.188.9174-96.1136.8-159.3-163.70111.7G413 R423G413-K415 PolarHBondContact O-N 3.07Å; K415-R423 VanDerWaalsContact O-CD 3.3Å; K415-R423 WeakPolarHBondContact O-CD 3.36Å; K415-R423 WeakPolarHBondContact O-CG 3.4Å; K415-R423 PolarHBondContact O-NE 3.05Å
416V34.5Very low48.6Very low73 Ų7381.4 Ų81.444%0.44248%0.484SS..  14123122.5163.80000115.9N420 A421V416-N420 HydrophobicContact CG1-CB 4.32Å; V416-N420 VanDerWaalsContact CG1-OD1 3.3Å; V416-N420 WeakPolarHBondContact CG1-OD1 3.41Å; V416-A421 WeakPolarHBondContact CA-O 3.43Å
417T41Very low50.3Low63 Ų6381.4 Ų81.439%0.38749%0.492SS..  trans-65.9171.8162.659.80000110.9G419 N420 A421 R423T417-G419 PolarHBondContact O-N 3.47Å; T417-N420 PolarHBondContact O-N 3.48Å; T417-A421 PolarHBondContact N-O 3.13Å; T417-A421 VanDerWaalsContact N-O 3.08Å; T417-R423 HydrophobicContact CG2-CG 4.43Å
418E39.6Very low52.3Low209 Ų20987.2 Ų87.298%0.97752%0.517SS*.THydrogen-bonded Turntrans-53.2-12.7174.5-74.2173.9171.100114.1
419G38.1Very low54.6Low60 Ų6084.9 Ų84.962%0.61949%0.492SS*.THydrogen-bonded Turntrans-108.525.8174.300000117T417 A421T417-G419 PolarHBondContact O-N 3.47Å; G419-A421 PolarHBondContact O-N 2.78Å
420N39.9Very low56.9Low138 Ų13882.3 Ų82.374%0.73848%0.481SS*.SBendtrans64.19.3177.9-69.8-23.9000116.2V416 T417V416-N420 HydrophobicContact CG1-CB 4.32Å; V416-N420 VanDerWaalsContact CG1-OD1 3.3Å; V416-N420 WeakPolarHBondContact CG1-OD1 3.41Å; T417-N420 PolarHBondContact O-N 3.48Å
421A44.3Very low59.4Low53 Ų5385.7 Ų85.744%0.43850%0.5SS..  trans-81.2136.1175.800000111.4V416 T417 G419 R423V416-A421 WeakPolarHBondContact CA-O 3.43Å; T417-A421 PolarHBondContact N-O 3.13Å; T417-A421 VanDerWaalsContact N-O 3.08Å; G419-A421 PolarHBondContact O-N 2.78Å; A421-R423 PolarHBondContact O-N 3.34Å
422S50.2Low61.7Low42 Ų4285 Ų8529%0.29449%0.486SS..  trans-58.8132.5172.3-174.40000109.7D424S422-D424 PolarHBondContact O-N 3.13Å; S422-D424 WeakPolarHBondContact OG-CA 3.47Å; S422-D424 VanDerWaalsContact OG-CB 3.25Å; S422-D424 WeakPolarHBondContact OG-CB 3.39Å; S422-D424 PolarHBondContact OG-N 2.76Å
423R58.8Low64.4Low89 Ų8980.8 Ų80.834%0.33646%0.457SS..SBendtrans-65.4-12.4165-72.5-178.1177.7-170.1-2.8111.8K415 T417 A421 L425K415-R423 VanDerWaalsContact O-CD 3.3Å; K415-R423 WeakPolarHBondContact O-CD 3.36Å; K415-R423 WeakPolarHBondContact O-CG 3.4Å; K415-R423 PolarHBondContact O-NE 3.05Å; T417-R423 HydrophobicContact CG2-CG 4.43Å; A421-R423 PolarHBondContact O-N 3.34Å; R423-L425 PolarHBondContact O-N 3.29Å
424D75Confident66.8Low37 Ų3779.9 Ų79.920%0.19845%0.445CS..  trans-92.470.7179.7-139.1-6000110.2S422 K426 D427S422-D424 PolarHBondContact O-N 3.13Å; S422-D424 WeakPolarHBondContact OG-CA 3.47Å; S422-D424 VanDerWaalsContact OG-CB 3.25Å; S422-D424 WeakPolarHBondContact OG-CB 3.39Å; S422-D424 PolarHBondContact OG-N 2.76Å; D424-K426 VanDerWaalsContact CG-CE 3.4Å; D424-K426 PolarHBondContact O-N 2.57Å; D424-K426 WeakPolarHBondContact OD1-CD 3.41Å; D424-K426 WeakPolarHBondContact OD1-CE 3.28Å; D424-K426 WeakPolarHBondContact OD1-CG 3.18Å; D424-K426 IonicContact OD1-NZ 3.61Å; D424-K426 PolarHBondContact OD1-NZ 3.05Å; D424-K426 WeakPolarHBondContact OD2-CE 3.34Å; D424-K426 IonicContact OD2-NZ 3.43Å; D424-K426 PolarHBondContact OD2-NZ 3.29Å; D424-D427 WeakPolarHBondContact O-CB 3.29Å; D424-D427 PolarHBondContact O-N 3.48Å
425L82.3Confident69Low59 Ų5980 Ų8031%0.30944%0.439SS..G310 helixtrans-52.4-26.5178.2-70.9177.1000112.5R423 D427 H428 L429 A437 L440 A441R423-L425 PolarHBondContact O-N 3.29Å; L425-D427 PolarHBondContact O-N 2.94Å; L425-H428 PolarHBondContact O-N 3.28Å; L425-L429 WeakPolarHBondContact O-CG 3.38Å; L425-A437 HydrophobicContact CB-CB 4.07Å; L425-L440 HydrophobicContact CD1-CB 4.44Å; L425-L440 HydrophobicContact CD1-CD2 3.82Å; L425-L440 HydrophobicContact CD1-CG 3.98Å; L425-A441 HydrophobicContact CD1-CB 4.11Å
426K83.4Confident71.5Confident77 Ų7772.7 Ų72.734%0.33541%0.407SS..G310 helixtrans-59.9-29.6178.280.2-169.2-175.6-128.50112.9D424 H428 L429 A434 A437D424-K426 VanDerWaalsContact CG-CE 3.4Å; D424-K426 PolarHBondContact O-N 2.57Å; D424-K426 WeakPolarHBondContact OD1-CD 3.41Å; D424-K426 WeakPolarHBondContact OD1-CE 3.28Å; D424-K426 WeakPolarHBondContact OD1-CG 3.18Å; D424-K426 IonicContact OD1-NZ 3.61Å; D424-K426 PolarHBondContact OD1-NZ 3.05Å; D424-K426 WeakPolarHBondContact OD2-CE 3.34Å; D424-K426 IonicContact OD2-NZ 3.43Å; D424-K426 PolarHBondContact OD2-NZ 3.29Å; K426-H428 PolarHBondContact O-N 3.38Å; K426-L429 PolarHBondContact O-N 2.84Å; K426-A434 HydrophobicContact CB-CB 4.03Å; K426-A437 HydrophobicContact CB-CB 4.14Å
427D86.4Confident74.2Confident108 Ų10869.2 Ų69.258%0.57839%0.386SS*.G310 helixtrans-73.6-17.4-177.9-63.5-13.6000112.2D424 L425D424-D427 WeakPolarHBondContact O-CB 3.29Å; D424-D427 PolarHBondContact O-N 3.48Å; L425-D427 PolarHBondContact O-N 2.94Å
428H88.3Confident76.4Confident133 Ų13369.2 Ų69.262%0.61639%0.386SS*.G310 helixtrans-101.81178.9-61.2-68.4000113L425 K426L425-H428 PolarHBondContact O-N 3.28Å; K426-H428 PolarHBondContact O-N 3.38Å
429L92.9Very high78.8Confident31 Ų3163.6 Ų63.616%0.16236%0.36CS..SBendtrans-122161.6-174.8-63.9175.3000110.7L425 K426 F433 A437 F486 S490L425-L429 WeakPolarHBondContact O-CG 3.38Å; K426-L429 PolarHBondContact O-N 2.84Å; L429-F433 HydrophobicContact CB-CB 4.48Å; L429-A437 HydrophobicContact CD1-CB 3.72Å; L429-F486 HydrophobicContact CD1-CB 3.89Å; L429-F486 HydrophobicContact CD1-CD2 4.33Å; L429-F486 HydrophobicContact CD1-CG 4.09Å; L429-F486 HydrophobicContact CD2-CB 3.78Å; L429-F486 HydrophobicContact CG-CB 4.5Å; L429-S490 WeakPolarHBondContact CD2-OG 3.35Å
430H94.5Very high81.4Confident51 Ų5160.9 Ų60.924%0.23633%0.331CS..  trans-61.6137.7172.2-176.9-83.2000109.7S432 F433 S490 I493H430-S432 PolarHBondContact CE1-OG 3.23Å; H430-S432 VanDerWaalsContact ND1-CB 3.26Å; H430-S432 WeakPolarHBondContact ND1-CB 3.33Å; H430-S432 PolarHBondContact ND1-N 3.09Å; H430-S432 VanDerWaalsContact ND1-N 3.19Å; H430-S432 PolarHBondContact ND1-OG 3.36Å; H430-S432 VanDerWaalsContact ND1-OG 3.09Å; H430-S432 PolarHBondContact O-N 3.37Å; H430-F433 HydrophobicContact CB-CD2 4.15Å; H430-F433 HydrophobicContact CB-CE2 4.37Å; H430-F433 PolarHBondContact O-N 3.33Å; H430-S490 PolarHBondContact N-OG 3.25Å; H430-S490 VanDerWaalsContact N-OG 3.1Å; H430-I493 HydrophobicContact CB-CD1 4.38Å; H430-I493 VanDerWaalsContact CD2-CG2 3.42Å; H430-I493 WeakPolarHBondContact CD2-CG2 3.38Å; H430-I493 WeakPolarHBondContact NE2-CG2 3.47Å
431P93.6Very high83.7Confident101 Ų10155.2 Ų55.266%0.65630%0.304SS*.G310 helixtrans-51.7-29.6-174.6-31.335.8000115.4F433 A434P431-F433 PolarHBondContact O-N 2.9Å; P431-A434 WeakPolarHBondContact O-CB 3.39Å; P431-A434 PolarHBondContact O-N 3.33Å; P431-A434 VanDerWaalsContact O-N 3.09Å
432S93.4Very high85.7Confident40 Ų4054.9 Ų54.928%0.2830%0.296SS..G310 helixtrans-51.6-16.4170.9-69.30000115.7H430 K504 Q508H430-S432 PolarHBondContact CE1-OG 3.23Å; H430-S432 VanDerWaalsContact ND1-CB 3.26Å; H430-S432 WeakPolarHBondContact ND1-CB 3.33Å; H430-S432 PolarHBondContact ND1-N 3.09Å; H430-S432 VanDerWaalsContact ND1-N 3.19Å; H430-S432 PolarHBondContact ND1-OG 3.36Å; H430-S432 VanDerWaalsContact ND1-OG 3.09Å; H430-S432 PolarHBondContact O-N 3.37Å; S432-K504 PolarHBondContact OG-NZ 3.11Å; S432-Q508 PolarHBondContact O-NE2 2.85Å
433F95.1Very high87.6Confident1 Ų153 Ų530%0.00428%0.282CS..G310 helixtrans-111.15.3-178.8-59.6-65.5000113.9L429 H430 P431 D435 M436 A437 F486 A489 S490 I493 K504 T507 Q508L429-F433 HydrophobicContact CB-CB 4.48Å; H430-F433 HydrophobicContact CB-CD2 4.15Å; H430-F433 HydrophobicContact CB-CE2 4.37Å; H430-F433 PolarHBondContact O-N 3.33Å; P431-F433 PolarHBondContact O-N 2.9Å; F433-D435 PolarHBondContact O-N 2.99Å; F433-M436 PolarHBondContact O-N 2.88Å; F433-M436 VanDerWaalsContact O-N 3.11Å; F433-A437 WeakPolarHBondContact O-CB 3.37Å; F433-A437 PolarHBondContact O-N 2.92Å; F433-F486 HydrophobicContact CB-CD1 4.03Å; F433-F486 HydrophobicContact CB-CE1 4.17Å; F433-F486 AromaticContact CD1-CD1 3.69Å; F433-F486 HydrophobicContact CD1-CD1 3.69Å; F433-F486 AromaticContact CD1-CE1 3.69Å; F433-F486 HydrophobicContact CD1-CE1 3.69Å; F433-F486 HydrophobicContact CD2-CD1 4.47Å; F433-F486 HydrophobicContact CE1-CD1 4.23Å; F433-F486 HydrophobicContact CE1-CE1 4.38Å; F433-F486 AromaticContact CG-CD1 3.82Å; F433-F486 HydrophobicContact CG-CD1 3.82Å; F433-F486 HydrophobicContact CG-CE1 4.13Å; F433-A489 HydrophobicContact CE2-CB 4Å; F433-A489 HydrophobicContact CZ-CB 3.63Å; F433-S490 WeakPolarHBondContact CD2-OG 3.45Å; F433-I493 HydrophobicContact CE2-CD1 3.72Å; F433-I493 HydrophobicContact CZ-CD1 4.02Å; F433-K504 HydrophobicContact CE1-CG 4.1Å; F433-K504 HydrophobicContact CZ-CB 4.23Å; F433-K504 HydrophobicContact CZ-CG 4.05Å; F433-T507 HydrophobicContact CD1-CG2 4.42Å; F433-T507 HydrophobicContact CE1-CG2 3.81Å; F433-T507 HydrophobicContact CZ-CG2 4.19Å; F433-Q508 HydrophobicContact CD1-CG 4.15Å; F433-Q508 HydrophobicContact CE1-CG 3.87Å
434A90.2Very high89.1Confident29 Ų2951.6 Ų51.624%0.2428%0.284CS..Hα-helixtrans-54.7-46.9-17200000114.3K426 P431 M436 A437 T438K426-A434 HydrophobicContact CB-CB 4.03Å; P431-A434 WeakPolarHBondContact O-CB 3.39Å; P431-A434 PolarHBondContact O-N 3.33Å; P431-A434 VanDerWaalsContact O-N 3.09Å; A434-M436 VanDerWaalsContact C-N 3.33Å; A434-M436 PolarHBondContact O-N 3.48Å; A434-A437 PolarHBondContact O-N 3.21Å; A434-T438 PolarHBondContact O-N 3.21Å; A434-T438 VanDerWaalsContact O-N 3.1Å; A434-T438 PolarHBondContact O-OG1 2.94Å
435D88.6Confident89.6Confident126 Ų12651.5 Ų51.567%0.67428%0.282SS*.Hα-helixtrans-63.2-41.1179.2-65.2-19.2000112F433 T438 Q439F433-D435 PolarHBondContact O-N 2.99Å; D435-T438 WeakPolarHBondContact O-CB 3.28Å; D435-T438 PolarHBondContact O-N 3.48Å; D435-Q439 PolarHBondContact O-N 3.47Å; D435-Q439 VanDerWaalsContact O-N 3.13Å
436M91.4Very high89.8Confident6 Ų650.7 Ų50.73%0.0328%0.275CS..Hα-helixtrans-77.8-31.5-177.5-60.2-172.158.100112.3F433 A434 T438 Q439 L440 F486 Q508 R512F433-M436 PolarHBondContact O-N 2.88Å; F433-M436 VanDerWaalsContact O-N 3.11Å; A434-M436 VanDerWaalsContact C-N 3.33Å; A434-M436 PolarHBondContact O-N 3.48Å; M436-T438 PolarHBondContact O-N 3.16Å; M436-Q439 PolarHBondContact O-N 2.99Å; M436-L440 PolarHBondContact O-N 2.83Å; M436-F486 HydrophobicContact CB-CE1 3.93Å; M436-F486 HydrophobicContact CB-CZ 3.55Å; M436-F486 HydrophobicContact CE-CE1 4.25Å; M436-F486 HydrophobicContact CE-CZ 4.03Å; M436-Q508 HydrophobicContact CE-CB 4.4Å; M436-Q508 WeakPolarHBondContact CE-O 3.35Å; M436-Q508 HydrophobicContact SD-CB 3.79Å; M436-Q508 HydrophobicContact SD-CG 3.62Å; M436-R512 HydrophobicContact CE-CG 3.97Å
437A90.5Very high90.2Very high1 Ų148.7 Ų48.71%0.00827%0.267CS..Hα-helixtrans-60-39.5169.700000110.7L425 K426 L429 F433 A434 L440 A441L425-A437 HydrophobicContact CB-CB 4.07Å; K426-A437 HydrophobicContact CB-CB 4.14Å; L429-A437 HydrophobicContact CD1-CB 3.72Å; F433-A437 WeakPolarHBondContact O-CB 3.37Å; F433-A437 PolarHBondContact O-N 2.92Å; A434-A437 PolarHBondContact O-N 3.21Å; A437-L440 PolarHBondContact O-N 2.85Å; A437-A441 PolarHBondContact O-N 3.4Å
438T87.9Confident90.2Very high62 Ų6247.3 Ų47.338%0.3826%0.257SS..Hα-helixtrans-63.3-45.1173.6-55.10000111.3A434 D435 M436 L440 A441 V442A434-T438 PolarHBondContact O-N 3.21Å; A434-T438 VanDerWaalsContact O-N 3.1Å; A434-T438 PolarHBondContact O-OG1 2.94Å; D435-T438 WeakPolarHBondContact O-CB 3.28Å; D435-T438 PolarHBondContact O-N 3.48Å; M436-T438 PolarHBondContact O-N 3.16Å; T438-L440 PolarHBondContact O-N 3.05Å; T438-A441 PolarHBondContact O-N 2.96Å; T438-V442 WeakPolarHBondContact O-CG2 3.38Å; T438-V442 PolarHBondContact O-N 2.81Å
439Q89.8Confident90Very high91 Ų9141 Ų4143%0.42523%0.228SC..Hα-helixtrans-64.3-38.1177.3-76.5149.620.500113.1D435 M436 V442 N443 L515D435-Q439 PolarHBondContact O-N 3.47Å; D435-Q439 VanDerWaalsContact O-N 3.13Å; M436-Q439 PolarHBondContact O-N 2.99Å; Q439-V442 PolarHBondContact O-N 3.25Å; Q439-N443 WeakPolarHBondContact O-CB 3.4Å; Q439-N443 PolarHBondContact O-N 2.99Å; Q439-N443 PolarHBondContact O-ND2 2.79Å; Q439-L515 HydrophobicContact CB-CD1 3.95Å
440L92.3Very high89.8Confident3 Ų340.1 Ų40.12%0.01622%0.223CC..Hα-helixtrans-60.9-50.1172.2174.362.2000110.7L425 M436 A437 T438 V442 N443 T444 L479 T482 S483 F486 L515L425-L440 HydrophobicContact CD1-CB 4.44Å; L425-L440 HydrophobicContact CD1-CD2 3.82Å; L425-L440 HydrophobicContact CD1-CG 3.98Å; M436-L440 PolarHBondContact O-N 2.83Å; A437-L440 PolarHBondContact O-N 2.85Å; T438-L440 PolarHBondContact O-N 3.05Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 PolarHBondContact O-N 3Å; L440-N443 PolarHBondContact O-N 2.72Å; L440-T444 PolarHBondContact O-N 2.61Å; L440-T444 PolarHBondContact O-OG1 3.08Å; L440-L479 HydrophobicContact CD1-CD2 3.71Å; L440-T482 HydrophobicContact CD1-CG2 3.97Å; L440-T482 HydrophobicContact CD2-CG2 4.31Å; L440-S483 WeakPolarHBondContact CD2-OG 3.22Å; L440-F486 HydrophobicContact CB-CE2 4.14Å; L440-F486 HydrophobicContact CD2-CD2 3.72Å; L440-F486 HydrophobicContact CD2-CE2 3.8Å; L440-L515 HydrophobicContact CD1-CD2 4.18Å
441A88.7Confident89.5Confident20 Ų2038.1 Ų38.117%0.16522%0.215CC..Hα-helixtrans-58.7-43.4178.700000112.4L425 A437 T438 T444 Q445L425-A441 HydrophobicContact CD1-CB 4.11Å; A437-A441 PolarHBondContact O-N 3.4Å; T438-A441 PolarHBondContact O-N 2.96Å; A441-T444 PolarHBondContact O-N 3.45Å; A441-Q445 PolarHBondContact O-N 2.8Å
442V86.8Confident89.1Confident45 Ų4534.7 Ų34.727%0.27319%0.19SC..Hα-helixtrans-61.9-46.1176.1169.50000111.2A407 A410 T438 Q439 L440 Q445 R446A407-V442 HydrophobicContact CB-CG1 4.43Å; A410-V442 HydrophobicContact CB-CG2 3.99Å; T438-V442 WeakPolarHBondContact O-CG2 3.38Å; T438-V442 PolarHBondContact O-N 2.81Å; Q439-V442 PolarHBondContact O-N 3.25Å; L440-V442 VanDerWaalsContact C-N 3.33Å; L440-V442 PolarHBondContact O-N 3Å; V442-Q445 PolarHBondContact O-N 3.1Å; V442-R446 WeakPolarHBondContact O-CG 3.38Å; V442-R446 PolarHBondContact O-N 2.98Å
443N89.9Confident88.7Confident2 Ų233.4 Ų33.41%0.01118%0.18CC..Hα-helixtrans-67.1-39.7179.6-85.5-73.5000112.4Q439 L440 Q445 R446 F447 L479 L515 V518 E519Q439-N443 WeakPolarHBondContact O-CB 3.4Å; Q439-N443 PolarHBondContact O-N 2.99Å; Q439-N443 PolarHBondContact O-ND2 2.79Å; L440-N443 PolarHBondContact O-N 2.72Å; N443-Q445 VanDerWaalsContact C-N 3.3Å; N443-Q445 PolarHBondContact O-N 2.81Å; N443-R446 PolarHBondContact O-N 3.48Å; N443-F447 VanDerWaalsContact O-CB 3.31Å; N443-F447 WeakPolarHBondContact O-CB 3.49Å; N443-F447 PolarHBondContact O-N 2.65Å; N443-L479 HydrophobicContact CB-CD2 3.99Å; N443-L515 HydrophobicContact CB-CD2 3.98Å; N443-V518 HydrophobicContact CB-CG1 4.18Å; N443-E519 VanDerWaalsContact OD1-CG 3.27Å; N443-E519 WeakPolarHBondContact OD1-CG 3.5Å
444T91.1Very high88.3Confident60 Ų6033.4 Ų33.437%0.36818%0.18SC..Hα-helixtrans-59-41.3172.8-59.20000111.5L440 A441 F447 Q448L440-T444 PolarHBondContact O-N 2.61Å; L440-T444 PolarHBondContact O-OG1 3.08Å; A441-T444 PolarHBondContact O-N 3.45Å; T444-F447 WeakPolarHBondContact O-CB 3.3Å; T444-F447 PolarHBondContact O-N 3.05Å; T444-Q448 PolarHBondContact O-N 2.9Å
445Q85.1Confident88Confident35 Ų3532.4 Ų32.416%0.16417%0.171CC..Hα-helixtrans-68.8-38.2177.4-171.662.463.400112.8A407 A441 V442 N443 S449A407-Q445 HydrophobicContact CB-CB 4.07Å; A407-Q445 HydrophobicContact CB-CG 3.88Å; A441-Q445 PolarHBondContact O-N 2.8Å; V442-Q445 PolarHBondContact O-N 3.1Å; N443-Q445 VanDerWaalsContact C-N 3.3Å; N443-Q445 PolarHBondContact O-N 2.81Å; Q445-S449 PolarHBondContact O-N 2.91Å; Q445-S449 VanDerWaalsContact O-N 3.12Å; Q445-S449 PolarHBondContact O-OG 3.03Å
446R86.8Confident87.8Confident43 Ų4326.5 Ų26.516%0.16214%0.139CC..Hα-helixtrans-66.1-39.9173.4-70.717769.2-1692.4111A407 V442 N443 S449 L450 I522 D523A407-R446 HydrophobicContact CB-CG 4.22Å; V442-R446 WeakPolarHBondContact O-CG 3.38Å; V442-R446 PolarHBondContact O-N 2.98Å; N443-R446 PolarHBondContact O-N 3.48Å; R446-S449 WeakPolarHBondContact O-CB 3.29Å; R446-S449 PolarHBondContact O-N 3.46Å; R446-S449 VanDerWaalsContact O-N 3.16Å; R446-L450 PolarHBondContact O-N 3Å; R446-I522 HydrophobicContact CB-CD1 3.77Å; R446-I522 HydrophobicContact CB-CG2 4.32Å; R446-D523 IonicContact CZ-OD2 3.89Å; R446-D523 IonicContact NH2-OD1 2.86Å; R446-D523 PolarHBondContact NH2-OD1 3.24Å; R446-D523 IonicContact NH2-OD2 3.99Å; R446-D523 PolarHBondContact NH2-OD2 3.48Å
447F90.5Very high87.4Confident35 Ų3530.3 Ų30.315%0.15416%0.157CC..Hα-helixtrans-61.4-46.6174.1173-106.9000112N443 T444 S449 L450 C451 I472 A475 A476 L479 I522N443-F447 VanDerWaalsContact O-CB 3.31Å; N443-F447 WeakPolarHBondContact O-CB 3.49Å; N443-F447 PolarHBondContact O-N 2.65Å; T444-F447 WeakPolarHBondContact O-CB 3.3Å; T444-F447 PolarHBondContact O-N 3.05Å; F447-S449 PolarHBondContact O-N 3.22Å; F447-L450 WeakPolarHBondContact O-CA 3.39Å; F447-L450 WeakPolarHBondContact O-CB 3.02Å; F447-L450 PolarHBondContact O-N 3.23Å; F447-C451 VanDerWaalsContact CZ-SG 3.57Å; F447-C451 PolarHBondContact O-N 3.05Å; F447-C451 PolarHBondContact O-SG 3.18Å; F447-I472 HydrophobicContact CE2-CG2 3.84Å; F447-I472 WeakPolarHBondContact CE2-O 3.49Å; F447-I472 HydrophobicContact CZ-CG2 3.91Å; F447-A475 HydrophobicContact CD2-CB 3.75Å; F447-A475 HydrophobicContact CE2-CB 3.83Å; F447-A476 HydrophobicContact CE1-CB 4.33Å; F447-A476 HydrophobicContact CE2-CB 4.42Å; F447-A476 HydrophobicContact CZ-CB 3.78Å; F447-L479 HydrophobicContact CB-CD1 3.61Å; F447-L479 HydrophobicContact CD1-CD1 3.75Å; F447-L479 HydrophobicContact CD2-CD1 4.28Å; F447-L479 HydrophobicContact CG-CD1 3.61Å; F447-I522 HydrophobicContact CB-CD1 4.48Å
448Q87.3Confident87.2Confident79 Ų7932.4 Ų32.437%0.36917%0.165SC..Hα-helixtrans-55-41.5172.4-174.2-173.611.200111.4T444 C451 Q452T444-Q448 PolarHBondContact O-N 2.9Å; Q448-C451 PolarHBondContact O-N 2.89Å; Q448-Q452 WeakPolarHBondContact O-CG 3.42Å; Q448-Q452 PolarHBondContact O-N 3.47Å
449S84.5Confident87Confident1 Ų130.3 Ų30.31%0.00716%0.155CC..Hα-helixtrans-66.1-37.7178.2-53.70000112.3R401 Q445 R446 F447 V453R401-S449 VanDerWaalsContact O-CB 3.28Å; R401-S449 WeakPolarHBondContact O-CB 3.43Å; Q445-S449 PolarHBondContact O-N 2.91Å; Q445-S449 VanDerWaalsContact O-N 3.12Å; Q445-S449 PolarHBondContact O-OG 3.03Å; R446-S449 WeakPolarHBondContact O-CB 3.29Å; R446-S449 PolarHBondContact O-N 3.46Å; R446-S449 VanDerWaalsContact O-N 3.16Å; F447-S449 PolarHBondContact O-N 3.22Å; S449-V453 WeakPolarHBondContact O-CB 3.28Å; S449-V453 VanDerWaalsContact O-CG2 3.25Å; S449-V453 WeakPolarHBondContact O-CG2 3.23Å; S449-V453 PolarHBondContact O-N 3.36Å
450L87.3Confident86.6Confident11 Ų1136.8 Ų36.86%0.05818%0.176CC..Hα-helixtrans-59.7-52.5172.5173.666.5000110.4R446 F447 Q452 V453 S454 I472 I521 I522 F526R446-L450 PolarHBondContact O-N 3Å; F447-L450 WeakPolarHBondContact O-CA 3.39Å; F447-L450 WeakPolarHBondContact O-CB 3.02Å; F447-L450 PolarHBondContact O-N 3.23Å; L450-Q452 PolarHBondContact O-N 2.93Å; L450-V453 PolarHBondContact O-N 2.95Å; L450-S454 WeakPolarHBondContact O-CB 3.32Å; L450-S454 PolarHBondContact O-N 2.93Å; L450-S454 PolarHBondContact O-OG 3.23Å; L450-I472 HydrophobicContact CD2-CG1 4.19Å; L450-I521 HydrophobicContact CD2-CG2 4.34Å; L450-I522 HydrophobicContact CD2-CG1 4.32Å; L450-F526 HydrophobicContact CD1-CZ 4.31Å
451C89.1Confident86.4Confident10 Ų1042.2 Ų42.27%0.06820%0.201CC..Hα-helixtrans-57.5-46.4179.7-63.90000112.1I367 I370 F447 Q448 V453 S454 L455I367-C451 HydrophobicContact CG1-CB 4.32Å; I370-C451 HydrophobicContact CD1-CB 4.15Å; F447-C451 VanDerWaalsContact CZ-SG 3.57Å; F447-C451 PolarHBondContact O-N 3.05Å; F447-C451 PolarHBondContact O-SG 3.18Å; Q448-C451 PolarHBondContact O-N 2.89Å; C451-V453 PolarHBondContact O-N 3.47Å; C451-S454 PolarHBondContact O-N 2.88Å; C451-L455 WeakPolarHBondContact O-CB 3.34Å; C451-L455 PolarHBondContact O-N 3.5Å
452Q85.1Confident86.4Confident28 Ų2841.9 Ų41.913%0.13120%0.197CC..Hα-helixtrans-61.5-44.8177.4-74.2177.5-9.800112.6I370 F374 Q448 L450 L455 I456I370-Q452 HydrophobicContact CD1-CG 4.28Å; F374-Q452 HydrophobicContact CD1-CG 4.39Å; F374-Q452 HydrophobicContact CE1-CB 3.86Å; F374-Q452 HydrophobicContact CE1-CG 3.78Å; F374-Q452 HydrophobicContact CE2-CG 4.14Å; F374-Q452 HydrophobicContact CZ-CB 3.75Å; F374-Q452 HydrophobicContact CZ-CG 3.63Å; Q448-Q452 WeakPolarHBondContact O-CG 3.42Å; Q448-Q452 PolarHBondContact O-N 3.47Å; L450-Q452 PolarHBondContact O-N 2.93Å; Q452-L455 PolarHBondContact O-N 2.81Å; Q452-I456 WeakPolarHBondContact O-CD1 3.14Å; Q452-I456 VanDerWaalsContact O-CG1 3.24Å; Q452-I456 WeakPolarHBondContact O-CG1 3.48Å; Q452-I456 PolarHBondContact O-N 3.3Å
453V84.4Confident86.4Confident14 Ų1443.8 Ų43.89%0.08521%0.208CC..Hα-helixtrans-65.3-42.8179168.10000110.9L398 R401 S449 L450 C451 L455 I456 Q457L398-V453 HydrophobicContact CD2-CG1 4.46Å; L398-V453 HydrophobicContact CD2-CG2 4.49Å; R401-V453 HydrophobicContact CB-CG2 3.89Å; S449-V453 WeakPolarHBondContact O-CB 3.28Å; S449-V453 VanDerWaalsContact O-CG2 3.25Å; S449-V453 WeakPolarHBondContact O-CG2 3.23Å; S449-V453 PolarHBondContact O-N 3.36Å; L450-V453 PolarHBondContact O-N 2.95Å; C451-V453 PolarHBondContact O-N 3.47Å; V453-L455 PolarHBondContact O-N 3.44Å; V453-I456 PolarHBondContact O-N 3.34Å; V453-Q457 WeakPolarHBondContact O-CB 3.4Å; V453-Q457 PolarHBondContact O-N 2.82Å
454S87.1Confident86.5Confident0 Ų048.7 Ų48.70%024%0.235CC..Hα-helixtrans-58.1-47.8175.3-61.90000111.2L450 C451 I456 Q457 Y458L450-S454 WeakPolarHBondContact O-CB 3.32Å; L450-S454 PolarHBondContact O-N 2.93Å; L450-S454 PolarHBondContact O-OG 3.23Å; C451-S454 PolarHBondContact O-N 2.88Å; S454-I456 PolarHBondContact O-N 2.81Å; S454-Q457 PolarHBondContact O-N 2.82Å; S454-Y458 VanDerWaalsContact O-CD2 3.27Å; S454-Y458 WeakPolarHBondContact O-CD2 3.31Å; S454-Y458 PolarHBondContact O-N 2.91Å
455L84.5Confident86.5Confident9 Ų948.7 Ų48.75%0.04723%0.231CC..Hα-helixtrans-64.4-39.1179.4-175.261.1000112.8I367 I370 I371 I378 C451 Q452 V453 Q457 G459I367-L455 HydrophobicContact CG2-CB 4.25Å; I367-L455 HydrophobicContact CG2-CD1 3.99Å; I367-L455 HydrophobicContact CG2-CD2 4.06Å; I367-L455 HydrophobicContact CG2-CG 4.34Å; I370-L455 HydrophobicContact CD1-CD2 4.4Å; I371-L455 HydrophobicContact CG1-CD2 3.87Å; I378-L455 HydrophobicContact CD1-CD2 3.42Å; I378-L455 VanDerWaalsContact CD1-CD2 3.42Å; I378-L455 HydrophobicContact CD1-CG 3.86Å; I378-L455 HydrophobicContact CG1-CD2 4.18Å; I378-L455 HydrophobicContact CG1-CG 4.33Å; C451-L455 WeakPolarHBondContact O-CB 3.34Å; C451-L455 PolarHBondContact O-N 3.5Å; Q452-L455 PolarHBondContact O-N 2.81Å; V453-L455 PolarHBondContact O-N 3.44Å; L455-Q457 VanDerWaalsContact C-N 3.33Å; L455-G459 VanDerWaalsContact O-CA 3.25Å; L455-G459 WeakPolarHBondContact O-CA 3.26Å; L455-G459 PolarHBondContact O-N 3.3Å
456I83.4Confident87Confident1 Ų152.4 Ų52.41%0.00525%0.248CC..Hα-helixtrans-64.4-39.4174.1-70.7159.2000111.5F374 L381 T385 L398 Q452 V453 S454F374-I456 HydrophobicContact CE1-CD1 4.1Å; F374-I456 HydrophobicContact CE1-CG1 4.21Å; F374-I456 HydrophobicContact CZ-CD1 4.02Å; L381-I456 HydrophobicContact CB-CD1 4.31Å; L381-I456 HydrophobicContact CB-CG1 4.3Å; L381-I456 HydrophobicContact CB-CG2 3.55Å; L381-I456 HydrophobicContact CD1-CD1 3.54Å; L381-I456 HydrophobicContact CD1-CG1 4.34Å; T385-I456 HydrophobicContact CG2-CG2 4.18Å; L398-I456 HydrophobicContact CD2-CG2 4.21Å; Q452-I456 WeakPolarHBondContact O-CD1 3.14Å; Q452-I456 VanDerWaalsContact O-CG1 3.24Å; Q452-I456 WeakPolarHBondContact O-CG1 3.48Å; Q452-I456 PolarHBondContact O-N 3.3Å; V453-I456 PolarHBondContact O-N 3.34Å; S454-I456 PolarHBondContact O-N 2.81Å
457Q83.5Confident87.4Confident86 Ų8654 Ų5440%0.40226%0.258SS..Hα-helixtrans-71.2-44.8-176-179.1175.6-24.300112V453 S454 L455V453-Q457 WeakPolarHBondContact O-CB 3.4Å; V453-Q457 PolarHBondContact O-N 2.82Å; S454-Q457 PolarHBondContact O-N 2.82Å; L455-Q457 VanDerWaalsContact C-N 3.33Å
458Y85.4Confident87.6Confident46 Ų4652.4 Ų52.418%0.1825%0.251CS..Hα-helixtrans-105.5-22.1-170.8-62.4-77.2000113.7S454 R460 E461 E465 L468S454-Y458 VanDerWaalsContact O-CD2 3.27Å; S454-Y458 WeakPolarHBondContact O-CD2 3.31Å; S454-Y458 PolarHBondContact O-N 2.91Å; Y458-R460 PolarHBondContact O-N 2.88Å; Y458-E461 WeakPolarHBondContact O-CB 3.47Å; Y458-E461 PolarHBondContact O-N 3.37Å; Y458-E461 VanDerWaalsContact O-N 3.17Å; Y458-E465 HydrophobicContact CD1-CG 3.48Å; Y458-E465 VanDerWaalsContact CD1-CG 3.48Å; Y458-E465 HydrophobicContact CD2-CG 4.27Å; Y458-E465 HydrophobicContact CE1-CG 3.54Å; Y458-E465 VanDerWaalsContact CE1-OE1 3.29Å; Y458-E465 WeakPolarHBondContact CE1-OE1 3.33Å; Y458-E465 HydrophobicContact CE2-CG 4.37Å; Y458-E465 HydrophobicContact CG-CG 3.85Å; Y458-L468 HydrophobicContact CD2-CD2 3.91Å; Y458-L468 HydrophobicContact CE2-CD2 3.48Å; Y458-L468 VanDerWaalsContact CE2-CD2 3.48Å
459G84Confident88Confident17 Ų1748.7 Ų48.718%0.17523%0.234CC..G310 helixtrans57-133.5-175.400000111.4L455 E461 I462L455-G459 VanDerWaalsContact O-CA 3.25Å; L455-G459 WeakPolarHBondContact O-CA 3.26Å; L455-G459 PolarHBondContact O-N 3.3Å; G459-E461 PolarHBondContact O-N 3.05Å; G459-I462 WeakPolarHBondContact O-CB 3.48Å; G459-I462 VanDerWaalsContact O-CG2 3.23Å; G459-I462 WeakPolarHBondContact O-CG2 2.93Å; G459-I462 PolarHBondContact O-N 3.09Å
460R82.4Confident88.6Confident228 Ų22849.8 Ų49.886%0.8624%0.241SC*.G310 helixtrans-65.1-27177.7-66.1-176.3-179.5179.8-1.1113.4Y458 I462 T463Y458-R460 PolarHBondContact O-N 2.88Å; R460-I462 PolarHBondContact O-N 2.9Å; R460-I462 VanDerWaalsContact O-N 3.13Å; R460-T463 PolarHBondContact O-OG1 3.11Å
461E87.7Confident89.1Confident116 Ų11650.7 Ų50.754%0.54224%0.244SC..G310 helixtrans-71.1-4.7179.4-58.1-58.2132.900112.8Y458 G459 T463 N464Y458-E461 WeakPolarHBondContact O-CB 3.47Å; Y458-E461 PolarHBondContact O-N 3.37Å; Y458-E461 VanDerWaalsContact O-N 3.17Å; G459-E461 PolarHBondContact O-N 3.05Å; E461-T463 PolarHBondContact O-N 2.56Å; E461-T463 VanDerWaalsContact O-N 3.13Å; E461-N464 WeakPolarHBondContact O-CB 3.29Å; E461-N464 PolarHBondContact O-N 3.12Å; E461-N464 PolarHBondContact OE2-ND2 3.5Å
462I88Confident89.4Confident14 Ų1450.3 Ų50.37%0.07224%0.241CC..G310 helixtrans-57.9-26.3175.6-161.3172.6000112.3I367 G459 R460 N464 E465 L469I367-I462 HydrophobicContact CD1-CD1 3.84Å; G459-I462 WeakPolarHBondContact O-CB 3.48Å; G459-I462 VanDerWaalsContact O-CG2 3.23Å; G459-I462 WeakPolarHBondContact O-CG2 2.93Å; G459-I462 PolarHBondContact O-N 3.09Å; R460-I462 PolarHBondContact O-N 2.9Å; R460-I462 VanDerWaalsContact O-N 3.13Å; I462-N464 PolarHBondContact O-N 2.97Å; I462-E465 PolarHBondContact O-N 2.69Å; I462-L469 HydrophobicContact CD1-CD2 4.5Å; I462-L469 HydrophobicContact CG1-CD2 4.17Å; I462-L469 WeakPolarHBondContact O-CD1 3.15Å
463T88.2Confident90Very high84 Ų8449 Ų4952%0.51524%0.235SC..G310 helixtrans-61.2-24.5174.456.30000112.8R460 E461R460-T463 PolarHBondContact O-OG1 3.11Å; E461-T463 PolarHBondContact O-N 2.56Å; E461-T463 VanDerWaalsContact O-N 3.13Å
464N90.6Very high90.7Very high105 Ų10550.8 Ų50.856%0.56124%0.244SC*.G310 helixtrans-86.4-14.9177.7-61.4-30.3000112.3E461 I462 Q466E461-N464 WeakPolarHBondContact O-CB 3.29Å; E461-N464 PolarHBondContact O-N 3.12Å; E461-N464 PolarHBondContact OE2-ND2 3.5Å; I462-N464 PolarHBondContact O-N 2.97Å; N464-Q466 VanDerWaalsContact C-N 3.26Å; N464-Q466 PolarHBondContact O-N 3.03Å
465E92.8Very high91.2Very high61 Ų6150.8 Ų50.829%0.28524%0.244SC..  trans-87.656.3-178.6-61-66.7154.700111.6Y458 I462 M467 L468 L469Y458-E465 HydrophobicContact CD1-CG 3.48Å; Y458-E465 VanDerWaalsContact CD1-CG 3.48Å; Y458-E465 HydrophobicContact CD2-CG 4.27Å; Y458-E465 HydrophobicContact CE1-CG 3.54Å; Y458-E465 VanDerWaalsContact CE1-OE1 3.29Å; Y458-E465 WeakPolarHBondContact CE1-OE1 3.33Å; Y458-E465 HydrophobicContact CE2-CG 4.37Å; Y458-E465 HydrophobicContact CG-CG 3.85Å; I462-E465 PolarHBondContact O-N 2.69Å; E465-M467 VanDerWaalsContact C-N 3.31Å; E465-M467 PolarHBondContact O-N 3.24Å; E465-L468 HydrophobicContact CB-CB 4.13Å; E465-L468 HydrophobicContact CB-CD2 4.4Å; E465-L468 WeakPolarHBondContact O-CA 3.35Å; E465-L468 WeakPolarHBondContact O-CB 3.49Å; E465-L468 PolarHBondContact O-N 3.07Å; E465-L469 PolarHBondContact O-N 3.04Å
466Q94.7Very high91.9Very high112 Ų11251.6 Ų51.652%0.52325%0.252SS..Hα-helixtrans-59.5-35.6-170.2-65.7179.9-9.700113.8I360 N464 L468 L469 C470I360-Q466 HydrophobicContact CD1-CB 4.24Å; I360-Q466 HydrophobicContact CD1-CG 3.86Å; I360-Q466 HydrophobicContact CG1-CG 4.37Å; N464-Q466 VanDerWaalsContact C-N 3.26Å; N464-Q466 PolarHBondContact O-N 3.03Å; Q466-L468 VanDerWaalsContact C-N 3.3Å; Q466-L468 PolarHBondContact O-N 3.22Å; Q466-L469 PolarHBondContact O-N 2.85Å; Q466-C470 WeakPolarHBondContact O-CB 3.35Å; Q466-C470 PolarHBondContact O-N 3.2Å; Q466-C470 PolarHBondContact O-SG 3.43Å
467M95.6Very high92.6Very high76 Ų7651.8 Ų51.837%0.37425%0.253SS..Hα-helixtrans-62.4-37.2175-69.5-178.6-77.900112.3E465 R471 D529 Q532E465-M467 VanDerWaalsContact C-N 3.31Å; E465-M467 PolarHBondContact O-N 3.24Å; M467-R471 PolarHBondContact O-N 3.05Å; M467-R471 PolarHBondContact O-NH1 3.46Å; M467-D529 HydrophobicContact CE-CB 3.74Å; M467-D529 HydrophobicContact SD-CB 4.24Å; M467-Q532 HydrophobicContact SD-CB 4.4Å
468L94Very high93.3Very high2 Ų248.1 Ų48.11%0.0124%0.236CC..Hα-helixtrans-70.9-45.3174.9169.854.2000111.2Y458 E465 Q466 C470 R471 I472 F526Y458-L468 HydrophobicContact CD2-CD2 3.91Å; Y458-L468 HydrophobicContact CE2-CD2 3.48Å; Y458-L468 VanDerWaalsContact CE2-CD2 3.48Å; E465-L468 HydrophobicContact CB-CB 4.13Å; E465-L468 HydrophobicContact CB-CD2 4.4Å; E465-L468 WeakPolarHBondContact O-CA 3.35Å; E465-L468 WeakPolarHBondContact O-CB 3.49Å; E465-L468 PolarHBondContact O-N 3.07Å; Q466-L468 VanDerWaalsContact C-N 3.3Å; Q466-L468 PolarHBondContact O-N 3.22Å; L468-C470 VanDerWaalsContact C-N 3.31Å; L468-C470 PolarHBondContact O-N 3.02Å; L468-R471 PolarHBondContact O-N 3.4Å; L468-I472 HydrophobicContact CD1-CD1 3.79Å; L468-I472 HydrophobicContact CD1-CG1 4.01Å; L468-I472 HydrophobicContact CG-CD1 4Å; L468-I472 WeakPolarHBondContact O-CG1 3.36Å; L468-I472 PolarHBondContact O-N 3.18Å; L468-F526 HydrophobicContact CD1-CE1 3.66Å; L468-F526 HydrophobicContact CD1-CZ 4.26Å; L468-F526 HydrophobicContact CD2-CE1 4.18Å; L468-F526 HydrophobicContact CG-CE1 4.4Å
469L95.7Very high93.9Very high1 Ų146.4 Ų46.41%0.00523%0.23CC..Hα-helixtrans-57.6-44.4176.4-67.2178.6000111.3I360 A363 I367 I462 E465 Q466 R471 I472 A473I360-L469 HydrophobicContact CG2-CD1 4.16Å; A363-L469 HydrophobicContact CB-CB 3.91Å; A363-L469 HydrophobicContact CB-CD2 3.79Å; A363-L469 HydrophobicContact CB-CG 4.45Å; A363-L469 WeakPolarHBondContact CB-O 3.23Å; I367-L469 HydrophobicContact CD1-CD2 4.07Å; I462-L469 HydrophobicContact CD1-CD2 4.5Å; I462-L469 HydrophobicContact CG1-CD2 4.17Å; I462-L469 WeakPolarHBondContact O-CD1 3.15Å; E465-L469 PolarHBondContact O-N 3.04Å; Q466-L469 PolarHBondContact O-N 2.85Å; L469-R471 PolarHBondContact O-N 3.04Å; L469-I472 PolarHBondContact O-N 2.93Å; L469-A473 PolarHBondContact O-N 2.85Å
470C97.3Very high94.6Very high24 Ų2447.6 Ų47.616%0.16223%0.232CC..Hα-helixtrans-59.2-44.1176.3-72.20000112.8R359 Q466 L468 A473 D474R359-C470 HydrophobicContact CB-CB 4.4Å; Q466-C470 WeakPolarHBondContact O-CB 3.35Å; Q466-C470 PolarHBondContact O-N 3.2Å; Q466-C470 PolarHBondContact O-SG 3.43Å; L468-C470 VanDerWaalsContact C-N 3.31Å; L468-C470 PolarHBondContact O-N 3.02Å; C470-A473 PolarHBondContact O-N 2.73Å; C470-D474 PolarHBondContact O-N 3.42Å
471R96.9Very high95.4Very high30 Ų3036.8 Ų36.811%0.11319%0.191CC..Hα-helixtrans-64.5-40.1175.4-74-172.6-61.7-95.54.2112.7M467 L468 L469 A473 D474 A475 I521 D529M467-R471 PolarHBondContact O-N 3.05Å; M467-R471 PolarHBondContact O-NH1 3.46Å; L468-R471 PolarHBondContact O-N 3.4Å; L469-R471 PolarHBondContact O-N 3.04Å; R471-A473 VanDerWaalsContact C-N 3.32Å; R471-D474 PolarHBondContact O-N 3.19Å; R471-A475 PolarHBondContact O-N 3.33Å; R471-I521 HydrophobicContact CB-CG2 3.96Å; R471-I521 WeakPolarHBondContact O-CG2 3.48Å; R471-D529 IonicContact CZ-OD1 3.57Å; R471-D529 IonicContact CZ-OD2 3.32Å; R471-D529 IonicContact NH1-OD1 3.5Å; R471-D529 PolarHBondContact NH1-OD1 2.94Å; R471-D529 IonicContact NH1-OD2 3.36Å; R471-D529 IonicContact NH2-OD1 2.68Å; R471-D529 PolarHBondContact NH2-OD1 3.26Å; R471-D529 IonicContact NH2-OD2 2.83Å; R471-D529 PolarHBondContact NH2-OD2 3.01Å
472I96.3Very high95.9Very high3 Ų331.2 Ų31.22%0.01517%0.166CC..Hα-helixtrans-61.3-44.1175.7-73.2172.1000110.2A363 I367 F447 L450 L468 L469 A475 A476A363-I472 HydrophobicContact CB-CB 4.05Å; A363-I472 HydrophobicContact CB-CG2 3.82Å; I367-I472 HydrophobicContact CD1-CD1 3.79Å; I367-I472 HydrophobicContact CD1-CG2 4.32Å; F447-I472 HydrophobicContact CE2-CG2 3.84Å; F447-I472 WeakPolarHBondContact CE2-O 3.49Å; F447-I472 HydrophobicContact CZ-CG2 3.91Å; L450-I472 HydrophobicContact CD2-CG1 4.19Å; L468-I472 HydrophobicContact CD1-CD1 3.79Å; L468-I472 HydrophobicContact CD1-CG1 4.01Å; L468-I472 HydrophobicContact CG-CD1 4Å; L468-I472 WeakPolarHBondContact O-CG1 3.36Å; L468-I472 PolarHBondContact O-N 3.18Å; L469-I472 PolarHBondContact O-N 2.93Å; I472-A475 PolarHBondContact O-N 3.42Å; I472-A476 WeakPolarHBondContact O-CB 3.35Å; I472-A476 PolarHBondContact O-N 3.34Å
473A98.3Very high96.4Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-61.8-45.1176.200000112R359 I362 A363 L469 C470 R471 A475 A476 I477R359-A473 HydrophobicContact CB-CB 3.83Å; R359-A473 HydrophobicContact CG-CB 3.92Å; R359-A473 WeakPolarHBondContact O-CB 3.25Å; I362-A473 HydrophobicContact CB-CB 4.02Å; I362-A473 HydrophobicContact CG2-CB 3.95Å; A363-A473 HydrophobicContact CB-CB 4.34Å; L469-A473 PolarHBondContact O-N 2.85Å; C470-A473 PolarHBondContact O-N 2.73Å; R471-A473 VanDerWaalsContact C-N 3.32Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.83Å; A473-A476 WeakPolarHBondContact O-CB 3.43Å; A473-A476 PolarHBondContact O-N 3.48Å; A473-A476 VanDerWaalsContact O-N 3.15Å; A473-I477 WeakPolarHBondContact O-CB 3.19Å; A473-I477 WeakPolarHBondContact O-CD1 3.39Å; A473-I477 VanDerWaalsContact O-CG1 3.22Å; A473-I477 WeakPolarHBondContact O-CG1 3Å; A473-I477 PolarHBondContact O-N 3.34Å
474D98.5Very high96.8Very high51 Ų5129.7 Ų29.727%0.27316%0.158SC..Hα-helixtrans-60.3-40.8177.6-70.2-27.9000112R359 C470 R471 I477 D478 I521R359-D474 IonicContact CZ-OD1 3.42Å; R359-D474 IonicContact NE-OD1 2.76Å; R359-D474 PolarHBondContact NE-OD1 3.33Å; R359-D474 IonicContact NE-OD2 2.69Å; R359-D474 IonicContact NH2-OD1 3.14Å; R359-D474 PolarHBondContact NH2-OD1 2.86Å; C470-D474 PolarHBondContact O-N 3.42Å; R471-D474 PolarHBondContact O-N 3.19Å; D474-I477 PolarHBondContact O-N 3.13Å; D474-D478 PolarHBondContact O-N 3.22Å; D474-D478 VanDerWaalsContact O-N 3.1Å; D474-I521 HydrophobicContact CB-CD1 3.82Å
475A98.3Very high97.2Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-66.3-41.3174.600000112.2F447 R471 I472 A473 D478 L479 V518 I521F447-A475 HydrophobicContact CD2-CB 3.75Å; F447-A475 HydrophobicContact CE2-CB 3.83Å; R471-A475 PolarHBondContact O-N 3.33Å; I472-A475 PolarHBondContact O-N 3.42Å; A473-A475 VanDerWaalsContact C-N 3.32Å; A473-A475 PolarHBondContact O-N 2.83Å; A475-D478 PolarHBondContact O-N 2.92Å; A475-L479 WeakPolarHBondContact O-CB 3.38Å; A475-L479 VanDerWaalsContact O-CG 3.26Å; A475-L479 WeakPolarHBondContact O-CG 3.35Å; A475-L479 PolarHBondContact O-N 3.02Å; A475-V518 HydrophobicContact CB-CG1 4.43Å; A475-V518 HydrophobicContact CB-CG2 4.46Å; A475-I521 HydrophobicContact CB-CB 4.43Å; A475-I521 HydrophobicContact CB-CD1 4.09Å; A475-I521 HydrophobicContact CB-CG2 3.95Å
476A98.1Very high97.5Very high26 Ų2621.8 Ų21.822%0.21512%0.118CC..Hα-helixtrans-61.7-43.3176.100000111.8I362 F447 I472 A473 L479 L480I362-A476 HydrophobicContact CG2-CB 4.34Å; F447-A476 HydrophobicContact CE1-CB 4.33Å; F447-A476 HydrophobicContact CE2-CB 4.42Å; F447-A476 HydrophobicContact CZ-CB 3.78Å; I472-A476 WeakPolarHBondContact O-CB 3.35Å; I472-A476 PolarHBondContact O-N 3.34Å; A473-A476 WeakPolarHBondContact O-CB 3.43Å; A473-A476 PolarHBondContact O-N 3.48Å; A473-A476 VanDerWaalsContact O-N 3.15Å; A476-L479 PolarHBondContact O-N 3.27Å; A476-L480 VanDerWaalsContact O-CB 3.27Å; A476-L480 WeakPolarHBondContact O-CB 3.47Å; A476-L480 PolarHBondContact O-N 2.85Å
477I98.7Very high97.5Very high5 Ų518.3 Ų18.33%0.02611%0.112CC..Hα-helixtrans-57.6-51176.3-73.2163.6000110.7A307 V310 F311 I362 A473 D474 L479 L480 L481A307-I477 HydrophobicContact CB-CG1 3.61Å; V310-I477 HydrophobicContact CB-CD1 3.95Å; V310-I477 HydrophobicContact CG1-CD1 3.74Å; F311-I477 HydrophobicContact CB-CG2 3.74Å; F311-I477 HydrophobicContact CD2-CG2 3.97Å; F311-I477 HydrophobicContact CG-CG2 4.23Å; I362-I477 HydrophobicContact CD1-CD1 4.26Å; I362-I477 HydrophobicContact CD1-CG1 4.48Å; A473-I477 WeakPolarHBondContact O-CB 3.19Å; A473-I477 WeakPolarHBondContact O-CD1 3.39Å; A473-I477 VanDerWaalsContact O-CG1 3.22Å; A473-I477 WeakPolarHBondContact O-CG1 3Å; A473-I477 PolarHBondContact O-N 3.34Å; D474-I477 PolarHBondContact O-N 3.13Å; I477-L479 PolarHBondContact O-N 2.88Å; I477-L480 PolarHBondContact O-N 2.91Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 WeakPolarHBondContact O-CG 3.47Å; I477-L481 PolarHBondContact O-N 3.5Å
478D98.7Very high97.6Very high9 Ų918.2 Ų18.25%0.04811%0.107CC..Hα-helixtrans-64.8-39.7-178.3-88.9-23.9000112.2D474 A475 T482 A514 R517 V518D474-D478 PolarHBondContact O-N 3.22Å; D474-D478 VanDerWaalsContact O-N 3.1Å; A475-D478 PolarHBondContact O-N 2.92Å; D478-T482 WeakPolarHBondContact O-CB 3.4Å; D478-T482 PolarHBondContact O-N 3.35Å; D478-T482 PolarHBondContact O-OG1 3.03Å; D478-A514 HydrophobicContact CB-CB 4.1Å; D478-R517 IonicContact OD1-CZ 2.67Å; D478-R517 IonicContact OD1-NE 3.88Å; D478-R517 IonicContact OD1-NH2 3.62Å; D478-R517 PolarHBondContact OD1-NH2 3.02Å; D478-R517 WeakPolarHBondContact OD2-CB 3.33Å; D478-R517 IonicContact OD2-CZ 2.69Å; D478-R517 IonicContact OD2-NE 2.64Å; D478-R517 PolarHBondContact OD2-NE 3.02Å; D478-R517 IonicContact OD2-NH2 2.76Å; D478-R517 PolarHBondContact OD2-NH2 3.39Å; D478-V518 HydrophobicContact CB-CG2 3.58Å
479L98Very high97.8Very high10 Ų1018.1 Ų18.15%0.05211%0.107CC..Hα-helixtrans-65.4-43.7175.5-70.5171.1000112L440 N443 F447 A475 A476 I477 S483 L515 V518L440-L479 HydrophobicContact CD1-CD2 3.71Å; N443-L479 HydrophobicContact CB-CD2 3.99Å; F447-L479 HydrophobicContact CB-CD1 3.61Å; F447-L479 HydrophobicContact CD1-CD1 3.75Å; F447-L479 HydrophobicContact CD2-CD1 4.28Å; F447-L479 HydrophobicContact CG-CD1 3.61Å; A475-L479 WeakPolarHBondContact O-CB 3.38Å; A475-L479 VanDerWaalsContact O-CG 3.26Å; A475-L479 WeakPolarHBondContact O-CG 3.35Å; A475-L479 PolarHBondContact O-N 3.02Å; A476-L479 PolarHBondContact O-N 3.27Å; I477-L479 PolarHBondContact O-N 2.88Å; L479-S483 WeakPolarHBondContact O-CB 3.44Å; L479-S483 PolarHBondContact O-N 2.83Å; L479-S483 PolarHBondContact O-OG 3.25Å; L479-L515 HydrophobicContact CD2-CD2 4.02Å; L479-V518 HydrophobicContact CD1-CG1 4.44Å; L479-V518 HydrophobicContact CD2-CG1 4.26Å; L479-V518 HydrophobicContact CD2-CG2 4.33Å; L479-V518 HydrophobicContact CG-CG1 4.32Å; L479-V518 HydrophobicContact CG-CG2 4.1Å
480L98.3Very high97.9Very high43 Ų4318.5 Ų18.523%0.22511%0.109CC..Hα-helixtrans-61.1-53.7178176.163.1000111F289 E304 A307 A476 I477 T482 S483 I484F289-L480 HydrophobicContact CZ-CD1 4.26Å; F289-L480 HydrophobicContact CZ-CD2 4.13Å; F289-L480 HydrophobicContact CZ-CG 4.43Å; E304-L480 HydrophobicContact CB-CD2 4.22Å; E304-L480 HydrophobicContact CG-CD1 4.42Å; E304-L480 HydrophobicContact CG-CD2 4.21Å; A307-L480 HydrophobicContact CB-CD2 3.76Å; A476-L480 VanDerWaalsContact O-CB 3.27Å; A476-L480 WeakPolarHBondContact O-CB 3.47Å; A476-L480 PolarHBondContact O-N 2.85Å; I477-L480 PolarHBondContact O-N 2.91Å; L480-T482 VanDerWaalsContact C-N 3.34Å; L480-T482 PolarHBondContact O-N 3.05Å; L480-S483 WeakPolarHBondContact O-CB 3.34Å; L480-S483 PolarHBondContact O-N 3.12Å; L480-S483 VanDerWaalsContact O-N 3.17Å; L480-I484 HydrophobicContact CD1-CD1 4Å; L480-I484 HydrophobicContact CG-CD1 4.01Å; L480-I484 WeakPolarHBondContact O-CG1 3.21Å; L480-I484 PolarHBondContact O-N 3.49Å
481L98.7Very high97.9Very high0 Ų025.1 Ų25.10%013%0.131CC..Hα-helixtrans-67.4-34.9-177.4-66.6176.3000112.3L308 F311 I477 S483 I484 C485 F510L308-L481 HydrophobicContact CD1-CD2 3.85Å; F311-L481 HydrophobicContact CB-CD1 3.7Å; F311-L481 HydrophobicContact CD1-CD1 3.37Å; F311-L481 HydrophobicContact CD2-CD1 3.46Å; F311-L481 VanDerWaalsContact CD2-CD1 3.46Å; F311-L481 HydrophobicContact CE1-CD1 3.77Å; F311-L481 HydrophobicContact CE2-CD1 3.85Å; F311-L481 HydrophobicContact CG-CD1 3.2Å; F311-L481 HydrophobicContact CZ-CD1 4.01Å; I477-L481 HydrophobicContact CG2-CD1 3.95Å; I477-L481 WeakPolarHBondContact O-CG 3.47Å; I477-L481 PolarHBondContact O-N 3.5Å; L481-S483 VanDerWaalsContact C-N 3.33Å; L481-S483 PolarHBondContact O-N 3.31Å; L481-I484 HydrophobicContact CD2-CD1 4.46Å; L481-I484 PolarHBondContact O-N 3.03Å; L481-C485 WeakPolarHBondContact O-CB 3.27Å; L481-C485 PolarHBondContact O-N 2.95Å; L481-C485 PolarHBondContact O-SG 2.84Å; L481-F510 HydrophobicContact CB-CE1 4.11Å; L481-F510 HydrophobicContact CB-CZ 4.03Å
482T98.5Very high98Very high0 Ų023.8 Ų23.80%013%0.126CC..Hα-helixtrans-59.4-45.4172.1-650000111L440 D478 L480 I484 C485 F486 A514L440-T482 HydrophobicContact CD1-CG2 3.97Å; L440-T482 HydrophobicContact CD2-CG2 4.31Å; D478-T482 WeakPolarHBondContact O-CB 3.4Å; D478-T482 PolarHBondContact O-N 3.35Å; D478-T482 PolarHBondContact O-OG1 3.03Å; L480-T482 VanDerWaalsContact C-N 3.34Å; L480-T482 PolarHBondContact O-N 3.05Å; T482-I484 PolarHBondContact O-N 2.81Å; T482-C485 PolarHBondContact O-N 3.01Å; T482-F486 HydrophobicContact CG2-CD2 4Å; T482-F486 HydrophobicContact CG2-CE2 3.47Å; T482-F486 VanDerWaalsContact CG2-CE2 3.47Å; T482-F486 HydrophobicContact CG2-CZ 4.11Å; T482-F486 VanDerWaalsContact O-CD2 3.32Å; T482-F486 WeakPolarHBondContact O-CD2 3.4Å; T482-F486 PolarHBondContact O-N 2.85Å; T482-A514 WeakPolarHBondContact OG1-CB 3.44Å
483S97.3Very high98Very high52 Ų5225 Ų2536%0.36413%0.132SC..Hα-helixtrans-60.9-43.9177.6-55.10000111.9L440 L479 L480 L481 F486 G487L440-S483 WeakPolarHBondContact CD2-OG 3.22Å; L479-S483 WeakPolarHBondContact O-CB 3.44Å; L479-S483 PolarHBondContact O-N 2.83Å; L479-S483 PolarHBondContact O-OG 3.25Å; L480-S483 WeakPolarHBondContact O-CB 3.34Å; L480-S483 PolarHBondContact O-N 3.12Å; L480-S483 VanDerWaalsContact O-N 3.17Å; L481-S483 VanDerWaalsContact C-N 3.33Å; L481-S483 PolarHBondContact O-N 3.31Å; S483-F486 PolarHBondContact O-N 2.93Å; S483-G487 PolarHBondContact O-N 2.87Å; S483-G487 VanDerWaalsContact O-N 3.13Å
484I98.3Very high98Very high13 Ų1329 Ų297%0.06716%0.16CC..Hα-helixtrans-66.1-43.8179.2-65.9167.7000111.4S284 Y288 F289 L480 L481 T482 F486 G487 R488S284-I484 WeakPolarHBondContact O-CG2 3.27Å; Y288-I484 HydrophobicContact CD1-CD1 3.85Å; Y288-I484 HydrophobicContact CD1-CG1 3.9Å; Y288-I484 HydrophobicContact CD1-CG2 4.43Å; Y288-I484 HydrophobicContact CE1-CD1 4.38Å; Y288-I484 HydrophobicContact CE1-CG1 4.24Å; Y288-I484 HydrophobicContact CG-CG1 4.42Å; Y288-I484 HydrophobicContact CG-CG2 4.19Å; F289-I484 HydrophobicContact CE1-CD1 4.31Å; F289-I484 HydrophobicContact CE2-CD1 3.78Å; F289-I484 HydrophobicContact CZ-CD1 3.47Å; F289-I484 VanDerWaalsContact CZ-CD1 3.47Å; L480-I484 HydrophobicContact CD1-CD1 4Å; L480-I484 HydrophobicContact CG-CD1 4.01Å; L480-I484 WeakPolarHBondContact O-CG1 3.21Å; L480-I484 PolarHBondContact O-N 3.49Å; L481-I484 HydrophobicContact CD2-CD1 4.46Å; L481-I484 PolarHBondContact O-N 3.03Å; T482-I484 PolarHBondContact O-N 2.81Å; I484-F486 VanDerWaalsContact C-N 3.33Å; I484-F486 PolarHBondContact O-N 3.31Å; I484-G487 PolarHBondContact O-N 3.41Å; I484-G487 VanDerWaalsContact O-N 3.15Å; I484-R488 PolarHBondContact O-N 2.7Å
485C98.6Very high97.9Very high0 Ų030.6 Ų30.60%017%0.168CC..Hα-helixtrans-59.4-42.4176.2-73.30000111.8Y280 L481 T482 G487 R488 A489 T507 F510Y280-C485 HydrophobicContact CE1-CB 4.31Å; L481-C485 WeakPolarHBondContact O-CB 3.27Å; L481-C485 PolarHBondContact O-N 2.95Å; L481-C485 PolarHBondContact O-SG 2.84Å; T482-C485 PolarHBondContact O-N 3.01Å; C485-G487 VanDerWaalsContact C-N 3.34Å; C485-G487 PolarHBondContact O-N 2.96Å; C485-R488 PolarHBondContact O-N 3.1Å; C485-A489 WeakPolarHBondContact O-CB 3.47Å; C485-A489 PolarHBondContact O-N 2.8Å; C485-T507 HydrophobicContact CB-CG2 4.03Å; C485-F510 HydrophobicContact CB-CD1 4.45Å
486F97.8Very high97.8Very high1 Ų133 Ų330%0.00419%0.193CC..Hα-helixtrans-60.6-42.4173.9-75.1-45.6000112.7L429 F433 M436 L440 T482 S483 I484 S490 T507L429-F486 HydrophobicContact CD1-CB 3.89Å; L429-F486 HydrophobicContact CD1-CD2 4.33Å; L429-F486 HydrophobicContact CD1-CG 4.09Å; L429-F486 HydrophobicContact CD2-CB 3.78Å; L429-F486 HydrophobicContact CG-CB 4.5Å; F433-F486 HydrophobicContact CB-CD1 4.03Å; F433-F486 HydrophobicContact CB-CE1 4.17Å; F433-F486 AromaticContact CD1-CD1 3.69Å; F433-F486 HydrophobicContact CD1-CD1 3.69Å; F433-F486 AromaticContact CD1-CE1 3.69Å; F433-F486 HydrophobicContact CD1-CE1 3.69Å; F433-F486 HydrophobicContact CD2-CD1 4.47Å; F433-F486 HydrophobicContact CE1-CD1 4.23Å; F433-F486 HydrophobicContact CE1-CE1 4.38Å; F433-F486 AromaticContact CG-CD1 3.82Å; F433-F486 HydrophobicContact CG-CD1 3.82Å; F433-F486 HydrophobicContact CG-CE1 4.13Å; M436-F486 HydrophobicContact CB-CE1 3.93Å; M436-F486 HydrophobicContact CB-CZ 3.55Å; M436-F486 HydrophobicContact CE-CE1 4.25Å; M436-F486 HydrophobicContact CE-CZ 4.03Å; L440-F486 HydrophobicContact CB-CE2 4.14Å; L440-F486 HydrophobicContact CD2-CD2 3.72Å; L440-F486 HydrophobicContact CD2-CE2 3.8Å; T482-F486 HydrophobicContact CG2-CD2 4Å; T482-F486 HydrophobicContact CG2-CE2 3.47Å; T482-F486 VanDerWaalsContact CG2-CE2 3.47Å; T482-F486 HydrophobicContact CG2-CZ 4.11Å; T482-F486 VanDerWaalsContact O-CD2 3.32Å; T482-F486 WeakPolarHBondContact O-CD2 3.4Å; T482-F486 PolarHBondContact O-N 2.85Å; S483-F486 PolarHBondContact O-N 2.93Å; I484-F486 VanDerWaalsContact C-N 3.33Å; I484-F486 PolarHBondContact O-N 3.31Å; F486-S490 WeakPolarHBondContact O-CB 3.32Å; F486-S490 PolarHBondContact O-N 2.9Å; F486-S490 PolarHBondContact O-OG 3.04Å; F486-T507 HydrophobicContact CD1-CG2 3.48Å; F486-T507 VanDerWaalsContact CD1-CG2 3.48Å; F486-T507 HydrophobicContact CE1-CG2 3.81Å; F486-T507 HydrophobicContact CG-CG2 4.31Å
487G96.5Very high97.7Very high38 Ų3835.3 Ų35.339%0.39220%0.201SC..Hα-helixtrans-60.4-49.9176.600000112.1S483 I484 C485 R491S483-G487 PolarHBondContact O-N 2.87Å; S483-G487 VanDerWaalsContact O-N 3.13Å; I484-G487 PolarHBondContact O-N 3.41Å; I484-G487 VanDerWaalsContact O-N 3.15Å; C485-G487 VanDerWaalsContact C-N 3.34Å; C485-G487 PolarHBondContact O-N 2.96Å; G487-R491 WeakPolarHBondContact O-CB 3.35Å; G487-R491 PolarHBondContact O-N 3.31Å
488R97.7Very high97.6Very high75 Ų7540.4 Ų40.428%0.28324%0.235SC..Hα-helixtrans-60.4-52.9177.9180-174.1170.41653.6111.9Y280 E283 S284 I484 C485 S490 R491 S492 E503Y280-R488 VanDerWaalsContact CE2-CZ 3.42Å; Y280-R488 WeakPolarHBondContact OH-CD 3.36Å; E283-R488 IonicContact OE2-CZ 3.42Å; E283-R488 IonicContact OE2-NH1 2.77Å; E283-R488 PolarHBondContact OE2-NH1 2.99Å; E283-R488 IonicContact OE2-NH2 2.71Å; E283-R488 PolarHBondContact OE2-NH2 3.49Å; S284-R488 WeakPolarHBondContact OG-CD 3.16Å; S284-R488 PolarHBondContact OG-NH1 3.45Å; I484-R488 PolarHBondContact O-N 2.7Å; C485-R488 PolarHBondContact O-N 3.1Å; R488-S490 PolarHBondContact O-N 3.09Å; R488-R491 PolarHBondContact O-N 2.85Å; R488-S492 WeakPolarHBondContact O-CB 3.34Å; R488-S492 PolarHBondContact O-N 3.23Å; R488-E503 IonicContact CZ-OE2 3.94Å; R488-E503 IonicContact NE-OE2 3.21Å; R488-E503 PolarHBondContact NE-OE2 2.85Å; R488-E503 VanDerWaalsContact NE-OE2 3.11Å
489A98.3Very high97.5Very high0 Ų049.9 Ų49.90%027%0.27CS..Hα-helixtrans-68-37.2-17600000112.3F433 C485 R491 S492 I493 T507F433-A489 HydrophobicContact CE2-CB 4Å; F433-A489 HydrophobicContact CZ-CB 3.63Å; C485-A489 WeakPolarHBondContact O-CB 3.47Å; C485-A489 PolarHBondContact O-N 2.8Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 2.88Å; A489-S492 PolarHBondContact O-N 2.75Å; A489-I493 VanDerWaalsContact O-CG1 3.26Å; A489-I493 WeakPolarHBondContact O-CG1 3.2Å; A489-I493 PolarHBondContact O-N 3.19Å; A489-T507 HydrophobicContact CB-CG2 4.17Å; A489-T507 WeakPolarHBondContact CB-OG1 3.48Å
490S97.7Very high97.5Very high8 Ų851 Ų516%0.05628%0.275CS..Hα-helixtrans-59.6-46.9172.6-64.10000110.9L429 H430 F433 F486 R488 S492 I493 S494L429-S490 WeakPolarHBondContact CD2-OG 3.35Å; H430-S490 PolarHBondContact N-OG 3.25Å; H430-S490 VanDerWaalsContact N-OG 3.1Å; F433-S490 WeakPolarHBondContact CD2-OG 3.45Å; F486-S490 WeakPolarHBondContact O-CB 3.32Å; F486-S490 PolarHBondContact O-N 2.9Å; F486-S490 PolarHBondContact O-OG 3.04Å; R488-S490 PolarHBondContact O-N 3.09Å; S490-S492 PolarHBondContact O-N 3.32Å; S490-I493 PolarHBondContact O-N 2.93Å; S490-S494 WeakPolarHBondContact O-CB 3.47Å; S490-S494 PolarHBondContact O-N 3.31Å; S490-S494 PolarHBondContact O-OG 3.3Å
491R97Very high97.4Very high164 Ų16454.4 Ų54.462%0.61929%0.294SS*.Hα-helixtrans-60.8-45175.8-178.861.9176.5-175.81111.9G487 R488 A489 I493 S494 I495G487-R491 WeakPolarHBondContact O-CB 3.35Å; G487-R491 PolarHBondContact O-N 3.31Å; R488-R491 PolarHBondContact O-N 2.85Å; A489-R491 VanDerWaalsContact C-N 3.34Å; A489-R491 PolarHBondContact O-N 2.88Å; R491-I493 PolarHBondContact O-N 3.05Å; R491-S494 PolarHBondContact O-N 2.88Å; R491-I495 HydrophobicContact CG-CD1 4.43Å; R491-I495 WeakPolarHBondContact O-CG1 3.47Å; R491-I495 PolarHBondContact O-N 3.19Å
492S98Very high97.4Very high2 Ų260 Ų601%0.01432%0.316CS..Hα-helixtrans-57.1-46179.4-1790000111.8R488 A489 S490 G496 L497 N500 E503R488-S492 WeakPolarHBondContact O-CB 3.34Å; R488-S492 PolarHBondContact O-N 3.23Å; A489-S492 PolarHBondContact O-N 2.75Å; S490-S492 PolarHBondContact O-N 3.32Å; S492-G496 PolarHBondContact O-N 3.02Å; S492-L497 PolarHBondContact O-N 2.87Å; S492-N500 WeakPolarHBondContact OG-CB 3.23Å; S492-E503 WeakPolarHBondContact CB-OE1 3.39Å; S492-E503 VanDerWaalsContact OG-CD 3.29Å; S492-E503 PolarHBondContact OG-OE1 3.03Å
493I97.8Very high97.4Very high28 Ų2861.1 Ų61.114%0.14432%0.321CS..Hα-helixtrans-66.3-48.9175.6-60.4162.8000110.6H430 F433 A489 S490 R491 I495 G496 N500 K504H430-I493 HydrophobicContact CB-CD1 4.38Å; H430-I493 VanDerWaalsContact CD2-CG2 3.42Å; H430-I493 WeakPolarHBondContact CD2-CG2 3.38Å; H430-I493 WeakPolarHBondContact NE2-CG2 3.47Å; F433-I493 HydrophobicContact CE2-CD1 3.72Å; F433-I493 HydrophobicContact CZ-CD1 4.02Å; A489-I493 VanDerWaalsContact O-CG1 3.26Å; A489-I493 WeakPolarHBondContact O-CG1 3.2Å; A489-I493 PolarHBondContact O-N 3.19Å; S490-I493 PolarHBondContact O-N 2.93Å; R491-I493 PolarHBondContact O-N 3.05Å; I493-I495 VanDerWaalsContact C-N 3.26Å; I493-I495 PolarHBondContact O-N 3.31Å; I493-G496 PolarHBondContact O-N 2.83Å; I493-N500 HydrophobicContact CG1-CB 4.06Å; I493-K504 HydrophobicContact CD1-CB 4.13Å; I493-K504 HydrophobicContact CD1-CD 4.41Å; I493-K504 HydrophobicContact CD1-CG 4.49Å
494S96.2Very high97.4Very high83 Ų8361.3 Ų61.358%0.5832%0.315SS*.Hα-helixtrans-62-29.1-175.9-66.90000114.2S490 R491S490-S494 WeakPolarHBondContact O-CB 3.47Å; S490-S494 PolarHBondContact O-N 3.31Å; S490-S494 PolarHBondContact O-OG 3.3Å; R491-S494 PolarHBondContact O-N 2.88Å
495I96.9Very high97.4Very high86 Ų8664 Ų6444%0.44133%0.333SS..THydrogen-bonded Turntrans-99.72.2176.174.8-174.9000113.4R491 I493 L497R491-I495 HydrophobicContact CG-CD1 4.43Å; R491-I495 WeakPolarHBondContact O-CG1 3.47Å; R491-I495 PolarHBondContact O-N 3.19Å; I493-I495 VanDerWaalsContact C-N 3.26Å; I493-I495 PolarHBondContact O-N 3.31Å; I495-L497 HydrophobicContact CD1-CD1 4.15Å; I495-L497 HydrophobicContact CD1-CD2 3.92Å; I495-L497 HydrophobicContact CD1-CG 3.79Å; I495-L497 HydrophobicContact CG1-CD1 4.49Å; I495-L497 HydrophobicContact CG1-CD2 4.11Å; I495-L497 HydrophobicContact CG1-CG 3.73Å
496G96.3Very high97.4Very high51 Ų5164.7 Ų64.753%0.52634%0.337SS..THydrogen-bonded Turntrans67.239.1176.900000114.6S492 I493S492-G496 PolarHBondContact O-N 3.02Å; I493-G496 PolarHBondContact O-N 2.83Å
497L97Very high97.4Very high74 Ų7464.7 Ų64.739%0.38734%0.336SS..  trans-61.7148176-71.4-177000111.4S492 I495 R499 N500S492-L497 PolarHBondContact O-N 2.87Å; I495-L497 HydrophobicContact CD1-CD1 4.15Å; I495-L497 HydrophobicContact CD1-CD2 3.92Å; I495-L497 HydrophobicContact CD1-CG 3.79Å; I495-L497 HydrophobicContact CG1-CD1 4.49Å; I495-L497 HydrophobicContact CG1-CD2 4.11Å; I495-L497 HydrophobicContact CG1-CG 3.73Å; L497-R499 PolarHBondContact O-N 3.11Å; L497-N500 WeakPolarHBondContact O-CB 3.37Å; L497-N500 PolarHBondContact O-N 3.28Å; L497-N500 PolarHBondContact O-ND2 2.87Å
498P96.7Very high97.5Very high112 Ų11264.7 Ų64.773%0.72733%0.326SS*.THydrogen-bonded Turntrans-54.4138.1170.9-24.334.1000111.1N500P498-N500 PolarHBondContact O-N 2.71Å
499R96.2Very high97.6Very high208 Ų20863.3 Ų63.379%0.78533%0.326SS*.THydrogen-bonded Turntrans62.322.1-179.3-55.5-73-172.6163.30.6114.7L497 D501 Y502 E503L497-R499 PolarHBondContact O-N 3.11Å; R499-D501 PolarHBondContact O-N 3.42Å; R499-Y502 WeakPolarHBondContact O-CA 3.13Å; R499-Y502 WeakPolarHBondContact O-CB 3.49Å; R499-Y502 PolarHBondContact O-N 3.46Å; R499-E503 PolarHBondContact O-N 3.23Å; R499-E503 VanDerWaalsContact O-N 3.08Å
500N97.3Very high97.6Very high32 Ų3263.5 Ų63.517%0.17133%0.327CS..Hα-helixtrans-56.3-31.2174.268.573000113.5S492 I493 L497 P498 Y502 E503 K504S492-N500 WeakPolarHBondContact OG-CB 3.23Å; I493-N500 HydrophobicContact CG1-CB 4.06Å; L497-N500 WeakPolarHBondContact O-CB 3.37Å; L497-N500 PolarHBondContact O-N 3.28Å; L497-N500 PolarHBondContact O-ND2 2.87Å; P498-N500 PolarHBondContact O-N 2.71Å; N500-Y502 VanDerWaalsContact C-N 3.29Å; N500-Y502 PolarHBondContact O-N 2.66Å; N500-E503 PolarHBondContact O-N 2.85Å; N500-K504 PolarHBondContact O-N 2.76Å
501D97.5Very high97.6Very high115 Ų11563.1 Ų63.162%0.61532%0.324SS*.Hα-helixtrans-63-34172.1-71.8-44.1000113R499 K504 T505R499-D501 PolarHBondContact O-N 3.42Å; D501-K504 WeakPolarHBondContact O-CB 3.28Å; D501-T505 PolarHBondContact O-N 3.14Å; D501-T505 PolarHBondContact O-OG1 3.03Å
502Y97.8Very high97.6Very high118 Ų11861.8 Ų61.846%0.46332%0.319SS..Hα-helixtrans-72.8-42.2174.1-174.5-126.1000110.6R499 N500 K504 T505 L506R499-Y502 WeakPolarHBondContact O-CA 3.13Å; R499-Y502 WeakPolarHBondContact O-CB 3.49Å; R499-Y502 PolarHBondContact O-N 3.46Å; N500-Y502 VanDerWaalsContact C-N 3.29Å; N500-Y502 PolarHBondContact O-N 2.66Å; Y502-K504 VanDerWaalsContact C-N 3.26Å; Y502-K504 PolarHBondContact O-N 2.8Å; Y502-T505 CarbonylContact O-C 3.54Å; Y502-T505 WeakPolarHBondContact O-CA 3.44Å; Y502-T505 WeakPolarHBondContact O-CB 3.47Å; Y502-T505 PolarHBondContact O-N 3.13Å; Y502-L506 HydrophobicContact CD1-CD1 4.01Å; Y502-L506 HydrophobicContact CD1-CG 4.34Å; Y502-L506 HydrophobicContact CD2-CG 4.48Å; Y502-L506 HydrophobicContact CE1-CD1 3.77Å; Y502-L506 HydrophobicContact CE1-CD2 4.23Å; Y502-L506 HydrophobicContact CE1-CG 4.12Å; Y502-L506 HydrophobicContact CE2-CD2 4.03Å; Y502-L506 HydrophobicContact CE2-CG 4.25Å; Y502-L506 WeakPolarHBondContact O-CG 3.4Å; Y502-L506 PolarHBondContact O-N 3.3Å
503E98.1Very high97.6Very high23 Ų2365.7 Ų65.711%0.10734%0.34CS..Hα-helixtrans-59.1-37.4172.6-71.2-161.4-118.300112.5Y280 R488 S492 R499 N500 L506 T507Y280-E503 HydrophobicContact CE2-CB 4.28Å; Y280-E503 HydrophobicContact CE2-CG 3.82Å; Y280-E503 VanDerWaalsContact CE2-OE2 3.28Å; Y280-E503 WeakPolarHBondContact CE2-OE2 3.33Å; Y280-E503 PolarHBondContact OH-OE2 3.17Å; R488-E503 IonicContact CZ-OE2 3.94Å; R488-E503 IonicContact NE-OE2 3.21Å; R488-E503 PolarHBondContact NE-OE2 2.85Å; R488-E503 VanDerWaalsContact NE-OE2 3.11Å; S492-E503 WeakPolarHBondContact CB-OE1 3.39Å; S492-E503 VanDerWaalsContact OG-CD 3.29Å; S492-E503 PolarHBondContact OG-OE1 3.03Å; R499-E503 PolarHBondContact O-N 3.23Å; R499-E503 VanDerWaalsContact O-N 3.08Å; N500-E503 PolarHBondContact O-N 2.85Å; E503-L506 PolarHBondContact O-N 3.15Å; E503-T507 WeakPolarHBondContact O-CB 3.3Å; E503-T507 PolarHBondContact O-N 2.96Å; E503-T507 PolarHBondContact O-OG1 3.2Å
504K98Very high97.7Very high56 Ų5664.3 Ų64.324%0.24333%0.333CS..Hα-helixtrans-58.2-50.2169.8176.7178.9166.6175.30110.9S432 F433 I493 N500 D501 Y502 L506 T507 Q508S432-K504 PolarHBondContact OG-NZ 3.11Å; F433-K504 HydrophobicContact CE1-CG 4.1Å; F433-K504 HydrophobicContact CZ-CB 4.23Å; F433-K504 HydrophobicContact CZ-CG 4.05Å; I493-K504 HydrophobicContact CD1-CB 4.13Å; I493-K504 HydrophobicContact CD1-CD 4.41Å; I493-K504 HydrophobicContact CD1-CG 4.49Å; N500-K504 PolarHBondContact O-N 2.76Å; D501-K504 WeakPolarHBondContact O-CB 3.28Å; Y502-K504 VanDerWaalsContact C-N 3.26Å; Y502-K504 PolarHBondContact O-N 2.8Å; K504-L506 PolarHBondContact O-N 3.24Å; K504-T507 PolarHBondContact O-N 3.37Å; K504-Q508 HydrophobicContact CG-CG 4.39Å; K504-Q508 WeakPolarHBondContact O-CB 3.17Å; K504-Q508 VanDerWaalsContact O-CG 3.27Å; K504-Q508 WeakPolarHBondContact O-CG 3.49Å; K504-Q508 PolarHBondContact O-N 2.95Å
505T98.3Very high97.7Very high71 Ų7160.7 Ų60.744%0.43631%0.307SS..Hα-helixtrans-60.3-43.5178.6-57.30000112.2D501 Y502 T509D501-T505 PolarHBondContact O-N 3.14Å; D501-T505 PolarHBondContact O-OG1 3.03Å; Y502-T505 CarbonylContact O-C 3.54Å; Y502-T505 WeakPolarHBondContact O-CA 3.44Å; Y502-T505 WeakPolarHBondContact O-CB 3.47Å; Y502-T505 PolarHBondContact O-N 3.13Å; T505-T509 WeakPolarHBondContact O-CB 3.45Å; T505-T509 PolarHBondContact O-N 3.13Å; T505-T509 PolarHBondContact O-OG1 3.49Å
506L98.6Very high97.7Very high14 Ų1464 Ų647%0.07331%0.314CS..Hα-helixtrans-61.3-49.3176.5-67.3179.8000110.9V276 L277 Y280 Y502 E503 K504 Q508 T509 F510V276-L506 HydrophobicContact CG1-CD1 4.29Å; V276-L506 HydrophobicContact CG1-CD2 3.57Å; L277-L506 HydrophobicContact CD2-CB 4.23Å; L277-L506 HydrophobicContact CD2-CD2 3.84Å; L277-L506 WeakPolarHBondContact CD2-O 3.38Å; Y280-L506 HydrophobicContact CD1-CB 4.13Å; Y280-L506 HydrophobicContact CD2-CD1 3.73Å; Y280-L506 HydrophobicContact CE1-CB 4.46Å; Y280-L506 HydrophobicContact CE2-CD1 4.29Å; Y280-L506 HydrophobicContact CG-CB 4.18Å; Y280-L506 HydrophobicContact CG-CD1 3.94Å; Y502-L506 HydrophobicContact CD1-CD1 4.01Å; Y502-L506 HydrophobicContact CD1-CG 4.34Å; Y502-L506 HydrophobicContact CD2-CG 4.48Å; Y502-L506 HydrophobicContact CE1-CD1 3.77Å; Y502-L506 HydrophobicContact CE1-CD2 4.23Å; Y502-L506 HydrophobicContact CE1-CG 4.12Å; Y502-L506 HydrophobicContact CE2-CD2 4.03Å; Y502-L506 HydrophobicContact CE2-CG 4.25Å; Y502-L506 WeakPolarHBondContact O-CG 3.4Å; Y502-L506 PolarHBondContact O-N 3.3Å; E503-L506 PolarHBondContact O-N 3.15Å; K504-L506 PolarHBondContact O-N 3.24Å; L506-Q508 PolarHBondContact O-N 2.86Å; L506-T509 PolarHBondContact O-N 3.45Å; L506-F510 VanDerWaalsContact O-CB 3.26Å; L506-F510 WeakPolarHBondContact O-CB 3.31Å; L506-F510 PolarHBondContact O-N 3.04Å
507T98.6Very high97.8Very high0 Ų065.4 Ų65.40%030%0.303CS..Hα-helixtrans-62.5-45.4-179.8-62.90000111.7Y280 F433 C485 F486 A489 E503 K504 T509 S511Y280-T507 VanDerWaalsContact CE1-OG1 3.31Å; Y280-T507 WeakPolarHBondContact CE1-OG1 3.28Å; F433-T507 HydrophobicContact CD1-CG2 4.42Å; F433-T507 HydrophobicContact CE1-CG2 3.81Å; F433-T507 HydrophobicContact CZ-CG2 4.19Å; C485-T507 HydrophobicContact CB-CG2 4.03Å; F486-T507 HydrophobicContact CD1-CG2 3.48Å; F486-T507 VanDerWaalsContact CD1-CG2 3.48Å; F486-T507 HydrophobicContact CE1-CG2 3.81Å; F486-T507 HydrophobicContact CG-CG2 4.31Å; A489-T507 HydrophobicContact CB-CG2 4.17Å; A489-T507 WeakPolarHBondContact CB-OG1 3.48Å; E503-T507 WeakPolarHBondContact O-CB 3.3Å; E503-T507 PolarHBondContact O-N 2.96Å; E503-T507 PolarHBondContact O-OG1 3.2Å; K504-T507 PolarHBondContact O-N 3.37Å; T507-T509 PolarHBondContact O-N 3.17Å; T507-S511 WeakPolarHBondContact O-CB 3.07Å; T507-S511 PolarHBondContact O-N 3.42Å; T507-S511 PolarHBondContact O-OG 3.06Å
508Q98.2Very high97.8Very high39 Ų3961.9 Ų61.918%0.18229%0.285CS..Hα-helixtrans-64.5-40.1178.7-69.7-174.7-2500111.9S432 F433 M436 K504 L506 R512S432-Q508 PolarHBondContact O-NE2 2.85Å; F433-Q508 HydrophobicContact CD1-CG 4.15Å; F433-Q508 HydrophobicContact CE1-CG 3.87Å; M436-Q508 HydrophobicContact CE-CB 4.4Å; M436-Q508 WeakPolarHBondContact CE-O 3.35Å; M436-Q508 HydrophobicContact SD-CB 3.79Å; M436-Q508 HydrophobicContact SD-CG 3.62Å; K504-Q508 HydrophobicContact CG-CG 4.39Å; K504-Q508 WeakPolarHBondContact O-CB 3.17Å; K504-Q508 VanDerWaalsContact O-CG 3.27Å; K504-Q508 WeakPolarHBondContact O-CG 3.49Å; K504-Q508 PolarHBondContact O-N 2.95Å; L506-Q508 PolarHBondContact O-N 2.86Å; Q508-R512 WeakPolarHBondContact O-CB 3.25Å; Q508-R512 VanDerWaalsContact O-CG 3.28Å; Q508-R512 WeakPolarHBondContact O-CG 3.27Å; Q508-R512 PolarHBondContact O-N 2.92Å
509T98.5Very high97.7Very high46 Ų4660.2 Ų60.228%0.28227%0.267SS..Hα-helixtrans-71.9-47179.6-52.40000111.4L277 T505 L506 T507 S511 R512 L513L277-T509 HydrophobicContact CD1-CG2 3.56Å; L277-T509 HydrophobicContact CD2-CG2 4.16Å; L277-T509 HydrophobicContact CG-CG2 4.5Å; T505-T509 WeakPolarHBondContact O-CB 3.45Å; T505-T509 PolarHBondContact O-N 3.13Å; T505-T509 PolarHBondContact O-OG1 3.49Å; L506-T509 PolarHBondContact O-N 3.45Å; T507-T509 PolarHBondContact O-N 3.17Å; T509-S511 VanDerWaalsContact C-N 3.35Å; T509-S511 PolarHBondContact O-N 2.76Å; T509-R512 PolarHBondContact O-N 2.96Å; T509-L513 HydrophobicContact CG2-CD1 4.43Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 2.93Å
510F98.7Very high97.7Very high3 Ų355.9 Ų55.91%0.01326%0.255CS..Hα-helixtrans-56.7-50.2177.8173.9-100.2000110.9L277 A281 F311 L481 C485 L506 R512 L513 A514L277-F510 HydrophobicContact CB-CB 4.3Å; L277-F510 HydrophobicContact CB-CD2 4.3Å; L277-F510 HydrophobicContact CD2-CB 4.07Å; A281-F510 HydrophobicContact CB-CD1 4.35Å; A281-F510 HydrophobicContact CB-CD2 4.02Å; A281-F510 HydrophobicContact CB-CE1 3.91Å; A281-F510 HydrophobicContact CB-CE2 3.55Å; A281-F510 HydrophobicContact CB-CG 4.4Å; A281-F510 HydrophobicContact CB-CZ 3.49Å; A281-F510 VanDerWaalsContact CB-CZ 3.49Å; F311-F510 HydrophobicContact CE2-CE2 4.19Å; F311-F510 HydrophobicContact CE2-CZ 4.33Å; F311-F510 AromaticContact CZ-CE2 3.76Å; F311-F510 HydrophobicContact CZ-CE2 3.76Å; F311-F510 HydrophobicContact CZ-CZ 4.1Å; L481-F510 HydrophobicContact CB-CE1 4.11Å; L481-F510 HydrophobicContact CB-CZ 4.03Å; C485-F510 HydrophobicContact CB-CD1 4.45Å; L506-F510 VanDerWaalsContact O-CB 3.26Å; L506-F510 WeakPolarHBondContact O-CB 3.31Å; L506-F510 PolarHBondContact O-N 3.04Å; F510-R512 PolarHBondContact O-N 2.65Å; F510-L513 PolarHBondContact O-N 3.32Å; F510-A514 HydrophobicContact CE1-CB 4.27Å; F510-A514 HydrophobicContact CZ-CB 4.36Å; F510-A514 WeakPolarHBondContact O-CB 3.21Å; F510-A514 PolarHBondContact O-N 2.82Å
511S98.1Very high97.6Very high0 Ų055.6 Ų55.60%025%0.254CS..Hα-helixtrans-66.5-36.6-176-53.90000112.2T507 T509 L513 A514 L515T507-S511 WeakPolarHBondContact O-CB 3.07Å; T507-S511 PolarHBondContact O-N 3.42Å; T507-S511 PolarHBondContact O-OG 3.06Å; T509-S511 VanDerWaalsContact C-N 3.35Å; T509-S511 PolarHBondContact O-N 2.76Å; S511-L513 VanDerWaalsContact C-N 3.35Å; S511-L513 PolarHBondContact O-N 2.82Å; S511-A514 PolarHBondContact O-N 3.2Å; S511-L515 VanDerWaalsContact O-CB 3.31Å; S511-L515 WeakPolarHBondContact O-CB 3.25Å; S511-L515 WeakPolarHBondContact O-CG 3.41Å; S511-L515 PolarHBondContact O-N 3.12Å
512R98Very high97.3Very high136 Ų13650.3 Ų50.351%0.51323%0.226SC..Hα-helixtrans-61.9-42.8173.8-78.1-179.1-173.9111.80.9112M436 Q508 T509 F510 R516M436-R512 HydrophobicContact CE-CG 3.97Å; Q508-R512 WeakPolarHBondContact O-CB 3.25Å; Q508-R512 VanDerWaalsContact O-CG 3.28Å; Q508-R512 WeakPolarHBondContact O-CG 3.27Å; Q508-R512 PolarHBondContact O-N 2.92Å; T509-R512 PolarHBondContact O-N 2.96Å; F510-R512 PolarHBondContact O-N 2.65Å; R512-R516 WeakPolarHBondContact O-CB 3.34Å; R512-R516 PolarHBondContact O-N 3.2Å
513L98.2Very high96.9Very high84 Ų8449.2 Ų49.244%0.4423%0.228SC..Hα-helixtrans-69.9-41.5178.1-65.6174.5000111.8L277 T509 F510 S511 R516 R517L277-L513 HydrophobicContact CD1-CD1 3.97Å; T509-L513 HydrophobicContact CG2-CD1 4.43Å; T509-L513 WeakPolarHBondContact O-CG 3.35Å; T509-L513 PolarHBondContact O-N 2.93Å; F510-L513 PolarHBondContact O-N 3.32Å; S511-L513 VanDerWaalsContact C-N 3.35Å; S511-L513 PolarHBondContact O-N 2.82Å; L513-R516 PolarHBondContact O-N 3.35Å; L513-R517 PolarHBondContact O-N 3.14Å
514A98.5Very high96.5Very high0 Ų050.4 Ų50.40%023%0.231CC..Hα-helixtrans-64.7-49.817800000112D478 T482 F510 S511 R516 R517 V518D478-A514 HydrophobicContact CB-CB 4.1Å; T482-A514 WeakPolarHBondContact OG1-CB 3.44Å; F510-A514 HydrophobicContact CE1-CB 4.27Å; F510-A514 HydrophobicContact CZ-CB 4.36Å; F510-A514 WeakPolarHBondContact O-CB 3.21Å; F510-A514 PolarHBondContact O-N 2.82Å; S511-A514 PolarHBondContact O-N 3.2Å; A514-R516 VanDerWaalsContact C-N 3.27Å; A514-R516 PolarHBondContact O-N 2.88Å; A514-R517 WeakPolarHBondContact O-CB 3.27Å; A514-R517 PolarHBondContact O-N 3.17Å; A514-V518 WeakPolarHBondContact O-CG2 3.38Å; A514-V518 PolarHBondContact O-N 3.12Å
515L96.7Very high95.8Very high7 Ų754.9 Ų54.94%0.03725%0.251CS..Hα-helixtrans-63.5-34178.8-66.5178.1000112Q439 L440 N443 L479 S511 R517 V518 E519Q439-L515 HydrophobicContact CB-CD1 3.95Å; L440-L515 HydrophobicContact CD1-CD2 4.18Å; N443-L515 HydrophobicContact CB-CD2 3.98Å; L479-L515 HydrophobicContact CD2-CD2 4.02Å; S511-L515 VanDerWaalsContact O-CB 3.31Å; S511-L515 WeakPolarHBondContact O-CB 3.25Å; S511-L515 WeakPolarHBondContact O-CG 3.41Å; S511-L515 PolarHBondContact O-N 3.12Å; L515-R517 VanDerWaalsContact C-N 3.35Å; L515-R517 PolarHBondContact O-N 3.25Å; L515-V518 WeakPolarHBondContact O-CB 3.42Å; L515-V518 PolarHBondContact O-N 3.13Å; L515-E519 WeakPolarHBondContact O-CG 3.41Å; L515-E519 PolarHBondContact O-N 3.35Å
516R97.3Very high94.9Very high155 Ų15553.4 Ų53.459%0.58524%0.239SC*.Hα-helixtrans-62.4-39.6171.6-176.2177.3176.3177.52.4112.5R512 L513 A514 E519 H520R512-R516 WeakPolarHBondContact O-CB 3.34Å; R512-R516 PolarHBondContact O-N 3.2Å; L513-R516 PolarHBondContact O-N 3.35Å; A514-R516 VanDerWaalsContact C-N 3.27Å; A514-R516 PolarHBondContact O-N 2.88Å; R516-E519 PolarHBondContact O-N 2.81Å; R516-H520 PolarHBondContact NE-NE2 3.01Å; R516-H520 PolarHBondContact O-CD2 3.35Å; R516-H520 PolarHBondContact O-N 3.26Å
517R97.9Very high94.3Very high80 Ų8057.6 Ų57.630%0.30226%0.258SS..Hα-helixtrans-64.4-42.8173.9-70.2-172.6-61.5-94.46.5111.5D478 L513 A514 L515 E519 H520 I521D478-R517 IonicContact OD1-CZ 2.67Å; D478-R517 IonicContact OD1-NE 3.88Å; D478-R517 IonicContact OD1-NH2 3.62Å; D478-R517 PolarHBondContact OD1-NH2 3.02Å; D478-R517 WeakPolarHBondContact OD2-CB 3.33Å; D478-R517 IonicContact OD2-CZ 2.69Å; D478-R517 IonicContact OD2-NE 2.64Å; D478-R517 PolarHBondContact OD2-NE 3.02Å; D478-R517 IonicContact OD2-NH2 2.76Å; D478-R517 PolarHBondContact OD2-NH2 3.39Å; L513-R517 PolarHBondContact O-N 3.14Å; A514-R517 WeakPolarHBondContact O-CB 3.27Å; A514-R517 PolarHBondContact O-N 3.17Å; L515-R517 VanDerWaalsContact C-N 3.35Å; L515-R517 PolarHBondContact O-N 3.25Å; R517-E519 VanDerWaalsContact C-N 3.34Å; R517-E519 PolarHBondContact O-N 2.81Å; R517-H520 PolarHBondContact O-N 3.44Å; R517-I521 WeakPolarHBondContact O-CG1 3.43Å; R517-I521 PolarHBondContact O-N 2.95Å
518V97.3Very high93.9Very high0 Ų061.1 Ų61.10%028%0.276CS..Hα-helixtrans-58-45.8175173.80000111.1N443 A475 D478 L479 A514 L515 H520 I521 I522N443-V518 HydrophobicContact CB-CG1 4.18Å; A475-V518 HydrophobicContact CB-CG1 4.43Å; A475-V518 HydrophobicContact CB-CG2 4.46Å; D478-V518 HydrophobicContact CB-CG2 3.58Å; L479-V518 HydrophobicContact CD1-CG1 4.44Å; L479-V518 HydrophobicContact CD2-CG1 4.26Å; L479-V518 HydrophobicContact CD2-CG2 4.33Å; L479-V518 HydrophobicContact CG-CG1 4.32Å; L479-V518 HydrophobicContact CG-CG2 4.1Å; A514-V518 WeakPolarHBondContact O-CG2 3.38Å; A514-V518 PolarHBondContact O-N 3.12Å; L515-V518 WeakPolarHBondContact O-CB 3.42Å; L515-V518 PolarHBondContact O-N 3.13Å; V518-H520 PolarHBondContact O-N 3.26Å; V518-I521 WeakPolarHBondContact O-CB 3.47Å; V518-I521 PolarHBondContact O-N 2.87Å; V518-I522 HydrophobicContact CG1-CD1 3.55Å; V518-I522 HydrophobicContact CG1-CG1 4.32Å; V518-I522 VanDerWaalsContact O-CG1 3.27Å; V518-I522 WeakPolarHBondContact O-CG1 3.27Å; V518-I522 PolarHBondContact O-N 2.89Å
519E95Very high93.6Very high77 Ų7759.7 Ų59.736%0.3627%0.27SS..Hα-helixtrans-60.6-45.2176.2-71.3175.617300112.1N443 L515 R516 R517 I521 I522 D523N443-E519 VanDerWaalsContact OD1-CG 3.27Å; N443-E519 WeakPolarHBondContact OD1-CG 3.5Å; L515-E519 WeakPolarHBondContact O-CG 3.41Å; L515-E519 PolarHBondContact O-N 3.35Å; R516-E519 PolarHBondContact O-N 2.81Å; R517-E519 VanDerWaalsContact C-N 3.34Å; R517-E519 PolarHBondContact O-N 2.81Å; E519-I521 VanDerWaalsContact C-N 3.28Å; E519-I521 PolarHBondContact O-N 2.92Å; E519-I522 PolarHBondContact O-N 3.3Å; E519-D523 WeakPolarHBondContact O-CB 3.44Å; E519-D523 PolarHBondContact O-N 3.05Å
520H95.8Very high93.3Very high117 Ų11764.8 Ų64.854%0.54228%0.284SS..Hα-helixtrans-60-36.8175.6-74.7-49.8000113R516 R517 V518 Y524R516-H520 PolarHBondContact NE-NE2 3.01Å; R516-H520 PolarHBondContact O-CD2 3.35Å; R516-H520 PolarHBondContact O-N 3.26Å; R517-H520 PolarHBondContact O-N 3.44Å; V518-H520 PolarHBondContact O-N 3.26Å; H520-Y524 PolarHBondContact O-N 3.33Å
521I95.4Very high93.1Very high27 Ų2771.4 Ų71.414%0.13831%0.31CS..Hα-helixtrans-68.8-46.9175.3-72.8163.9000111.2L450 R471 D474 A475 R517 V518 E519 D523 Y524L450-I521 HydrophobicContact CD2-CG2 4.34Å; R471-I521 HydrophobicContact CB-CG2 3.96Å; R471-I521 WeakPolarHBondContact O-CG2 3.48Å; D474-I521 HydrophobicContact CB-CD1 3.82Å; A475-I521 HydrophobicContact CB-CB 4.43Å; A475-I521 HydrophobicContact CB-CD1 4.09Å; A475-I521 HydrophobicContact CB-CG2 3.95Å; R517-I521 WeakPolarHBondContact O-CG1 3.43Å; R517-I521 PolarHBondContact O-N 2.95Å; V518-I521 WeakPolarHBondContact O-CB 3.47Å; V518-I521 PolarHBondContact O-N 2.87Å; E519-I521 VanDerWaalsContact C-N 3.28Å; E519-I521 PolarHBondContact O-N 2.92Å; I521-D523 VanDerWaalsContact C-N 3.29Å; I521-D523 PolarHBondContact O-N 3.34Å; I521-Y524 WeakPolarHBondContact O-CB 3.42Å; I521-Y524 PolarHBondContact O-N 3.18Å
522I89.6Confident93Very high4 Ų476.2 Ų76.22%0.02133%0.332CS..Hα-helixtrans-62.4-39.7-178.8-70.2165000111R446 F447 L450 V518 E519 Y524R446-I522 HydrophobicContact CB-CD1 3.77Å; R446-I522 HydrophobicContact CB-CG2 4.32Å; F447-I522 HydrophobicContact CB-CD1 4.48Å; L450-I522 HydrophobicContact CD2-CG1 4.32Å; V518-I522 HydrophobicContact CG1-CD1 3.55Å; V518-I522 HydrophobicContact CG1-CG1 4.32Å; V518-I522 VanDerWaalsContact O-CG1 3.27Å; V518-I522 WeakPolarHBondContact O-CG1 3.27Å; V518-I522 PolarHBondContact O-N 2.89Å; E519-I522 PolarHBondContact O-N 3.3Å; I522-Y524 VanDerWaalsContact C-N 3.27Å; I522-Y524 PolarHBondContact O-N 3.08Å
523D90Very high92.8Very high95 Ų9575.5 Ų75.551%0.50833%0.334SS..THydrogen-bonded Turntrans-88.16.6-178.3-63.9-33.7000113.2R446 E519 I521R446-D523 IonicContact CZ-OD2 3.89Å; R446-D523 IonicContact NH2-OD1 2.86Å; R446-D523 PolarHBondContact NH2-OD1 3.24Å; R446-D523 IonicContact NH2-OD2 3.99Å; R446-D523 PolarHBondContact NH2-OD2 3.48Å; E519-D523 WeakPolarHBondContact O-CB 3.44Å; E519-D523 PolarHBondContact O-N 3.05Å; I521-D523 VanDerWaalsContact C-N 3.29Å; I521-D523 PolarHBondContact O-N 3.34Å
524Y89.8Confident92.7Very high47 Ų4780.6 Ų80.618%0.18435%0.348CS..  trans-58.3141.6-179.5-173.4-94.3000112.9H520 I521 I522 I528 D529H520-Y524 PolarHBondContact O-N 3.33Å; I521-Y524 WeakPolarHBondContact O-CB 3.42Å; I521-Y524 PolarHBondContact O-N 3.18Å; I522-Y524 VanDerWaalsContact C-N 3.27Å; I522-Y524 PolarHBondContact O-N 3.08Å; Y524-I528 HydrophobicContact CE1-CB 4.4Å; Y524-I528 HydrophobicContact CE2-CD1 4.18Å; Y524-I528 VanDerWaalsContact OH-CB 3.27Å; Y524-I528 WeakPolarHBondContact OH-CB 3.47Å; Y524-I528 WeakPolarHBondContact OH-CG2 3.45Å; Y524-D529 PolarHBondContact OH-OD1 3.33Å
525K84Confident92.6Very high151 Ų15185.5 Ų85.566%0.65738%0.377SS*.  trans-94.4106.5177.3-66.3-175.9-179.2179.80110.5E527 I528K525-E527 PolarHBondContact O-N 3.28Å; K525-I528 HydrophobicContact CB-CD1 4.46Å; K525-I528 PolarHBondContact O-N 2.78Å; K525-I528 VanDerWaalsContact O-N 3.12Å
526F79.3Confident92.5Very high40 Ų4087.4 Ų87.418%0.17539%0.394CS..THydrogen-bonded Turntrans-56-15.3179-62.4-72000115.8L450 L468 I528 D529L450-F526 HydrophobicContact CD1-CZ 4.31Å; L468-F526 HydrophobicContact CD1-CE1 3.66Å; L468-F526 HydrophobicContact CD1-CZ 4.26Å; L468-F526 HydrophobicContact CD2-CE1 4.18Å; L468-F526 HydrophobicContact CG-CE1 4.4Å; F526-I528 PolarHBondContact O-N 2.94Å; F526-D529 WeakPolarHBondContact O-CB 3.26Å; F526-D529 PolarHBondContact O-N 2.93Å
527E85.1Confident92.5Very high102 Ų10282 Ų8248%0.47738%0.38SS..Hα-helixtrans-64.6-27176.4-51.5-173.2148.500112.5K525 D529 R530 Y531K525-E527 PolarHBondContact O-N 3.28Å; E527-D529 VanDerWaalsContact C-N 3.31Å; E527-D529 PolarHBondContact O-N 3.28Å; E527-R530 PolarHBondContact O-N 3.15Å; E527-R530 IonicContact OE1-NH2 2.68Å; E527-Y531 HydrophobicContact CB-CE2 4.44Å; E527-Y531 WeakPolarHBondContact O-CD2 2.85Å; E527-Y531 PolarHBondContact O-N 3.41Å
528I90.7Very high92.4Very high73 Ų7382.3 Ų82.337%0.37439%0.385SS..Hα-helixtrans-64.4-37.3178.9-62.7171.7000110.9Y524 K525 F526 R530 Y531 Q532Y524-I528 HydrophobicContact CE1-CB 4.4Å; Y524-I528 HydrophobicContact CE2-CD1 4.18Å; Y524-I528 VanDerWaalsContact OH-CB 3.27Å; Y524-I528 WeakPolarHBondContact OH-CB 3.47Å; Y524-I528 WeakPolarHBondContact OH-CG2 3.45Å; K525-I528 HydrophobicContact CB-CD1 4.46Å; K525-I528 PolarHBondContact O-N 2.78Å; K525-I528 VanDerWaalsContact O-N 3.12Å; F526-I528 PolarHBondContact O-N 2.94Å; I528-R530 PolarHBondContact O-N 3.43Å; I528-Y531 WeakPolarHBondContact O-CB 3.25Å; I528-Y531 PolarHBondContact O-N 3.22Å; I528-Q532 HydrophobicContact CG2-CG 4.29Å; I528-Q532 PolarHBondContact O-N 3.49Å
529D92.6Very high92.4Very high10 Ų1086.5 Ų86.55%0.05341%0.407CS..Hα-helixtrans-57.2-39.2177.3-64.1-27.6000111.6M467 R471 Y524 F526 E527 Y531 Q532 H533M467-D529 HydrophobicContact CE-CB 3.74Å; M467-D529 HydrophobicContact SD-CB 4.24Å; R471-D529 IonicContact CZ-OD1 3.57Å; R471-D529 IonicContact CZ-OD2 3.32Å; R471-D529 IonicContact NH1-OD1 3.5Å; R471-D529 PolarHBondContact NH1-OD1 2.94Å; R471-D529 IonicContact NH1-OD2 3.36Å; R471-D529 IonicContact NH2-OD1 2.68Å; R471-D529 PolarHBondContact NH2-OD1 3.26Å; R471-D529 IonicContact NH2-OD2 2.83Å; R471-D529 PolarHBondContact NH2-OD2 3.01Å; Y524-D529 PolarHBondContact OH-OD1 3.33Å; F526-D529 WeakPolarHBondContact O-CB 3.26Å; F526-D529 PolarHBondContact O-N 2.93Å; E527-D529 VanDerWaalsContact C-N 3.31Å; E527-D529 PolarHBondContact O-N 3.28Å; D529-Y531 PolarHBondContact O-N 3.31Å; D529-Q532 PolarHBondContact O-N 2.9Å; D529-H533 WeakPolarHBondContact O-CB 3.31Å; D529-H533 PolarHBondContact O-N 3.01Å
530R91.2Very high92.5Very high153 Ų15389 Ų8958%0.57742%0.422SS*.Hα-helixtrans-66.2-37.6177.1-64.1-167.8-63.2-1161.3112.2E527 I528 R534E527-R530 PolarHBondContact O-N 3.15Å; E527-R530 IonicContact OE1-NH2 2.68Å; I528-R530 PolarHBondContact O-N 3.43Å; R530-R534 WeakPolarHBondContact O-CB 3.5Å; R530-R534 PolarHBondContact O-N 3.11Å
531Y94.7Very high92.6Very high142 Ų14288.4 Ų88.456%0.55743%0.427SS*.Hα-helixtrans-69.6-40.5176.1-59.4-45.5000111.7E527 I528 D529 R534 T535E527-Y531 HydrophobicContact CB-CE2 4.44Å; E527-Y531 WeakPolarHBondContact O-CD2 2.85Å; E527-Y531 PolarHBondContact O-N 3.41Å; I528-Y531 WeakPolarHBondContact O-CB 3.25Å; I528-Y531 PolarHBondContact O-N 3.22Å; D529-Y531 PolarHBondContact O-N 3.31Å; Y531-R534 PolarHBondContact O-N 3.47Å; Y531-T535 WeakPolarHBondContact O-CB 3.47Å; Y531-T535 PolarHBondContact O-N 3.07Å; Y531-T535 PolarHBondContact O-OG1 3.26Å
532Q95.4Very high92.6Very high100 Ų10090.7 Ų90.747%0.46744%0.437SS..Hα-helixtrans-62.4-46.2174-69.2-177.4-71.700111.3M467 I528 D529 R534 T535 A536M467-Q532 HydrophobicContact SD-CB 4.4Å; I528-Q532 HydrophobicContact CG2-CG 4.29Å; I528-Q532 PolarHBondContact O-N 3.49Å; D529-Q532 PolarHBondContact O-N 2.9Å; Q532-R534 PolarHBondContact O-N 2.83Å; Q532-T535 PolarHBondContact O-N 3.37Å; Q532-A536 WeakPolarHBondContact O-CB 3.49Å; Q532-A536 PolarHBondContact O-N 3.44Å
533H94.7Very high93Very high121 Ų121101.2 Ų101.256%0.5648%0.476SS*.Hα-helixtrans-56.2-52.7175.2-178.876000111.3D529 T535 A536 S537D529-H533 WeakPolarHBondContact O-CB 3.31Å; D529-H533 PolarHBondContact O-N 3.01Å; H533-T535 VanDerWaalsContact C-N 3.28Å; H533-T535 PolarHBondContact O-N 3Å; H533-A536 PolarHBondContact O-N 3.12Å; H533-S537 PolarHBondContact NE2-OG 3.15Å; H533-S537 WeakPolarHBondContact O-CB 3.42Å; H533-S537 PolarHBondContact O-N 3.23Å; H533-S537 PolarHBondContact O-OG 3.49Å
534R95.2Very high93.2Very high192 Ų192102.5 Ų102.573%0.72548%0.478SS*.Hα-helixtrans-57.5-41.7178.5-175.3177.5-179.4179.10.7112.5R530 Y531 Q532 E538R530-R534 WeakPolarHBondContact O-CB 3.5Å; R530-R534 PolarHBondContact O-N 3.11Å; Y531-R534 PolarHBondContact O-N 3.47Å; Q532-R534 PolarHBondContact O-N 2.83Å; R534-E538 PolarHBondContact O-N 3.32Å; R534-E538 VanDerWaalsContact O-N 3.08Å
535T96.1Very high93.4Very high102 Ų102108.4 Ų108.463%0.62650%0.501SS*.Hα-helixtrans-64.5-45.8179.9-56.70000111Y531 Q532 H533 L539Y531-T535 WeakPolarHBondContact O-CB 3.47Å; Y531-T535 PolarHBondContact O-N 3.07Å; Y531-T535 PolarHBondContact O-OG1 3.26Å; Q532-T535 PolarHBondContact O-N 3.37Å; H533-T535 VanDerWaalsContact C-N 3.28Å; H533-T535 PolarHBondContact O-N 3Å; T535-L539 PolarHBondContact O-N 2.9Å
536A96.5Very high93.7Very high47 Ų47103.5 Ų103.539%0.38849%0.485SS..Hα-helixtrans-67.5-43177.600000112Q532 H533 E538 L539 L540Q532-A536 WeakPolarHBondContact O-CB 3.49Å; Q532-A536 PolarHBondContact O-N 3.44Å; H533-A536 PolarHBondContact O-N 3.12Å; A536-E538 VanDerWaalsContact C-N 3.3Å; A536-E538 PolarHBondContact O-N 3.34Å; A536-L539 PolarHBondContact O-N 2.85Å; A536-L540 WeakPolarHBondContact O-CB 3.47Å; A536-L540 VanDerWaalsContact O-CG 3.27Å; A536-L540 WeakPolarHBondContact O-CG 3.25Å; A536-L540 PolarHBondContact O-N 3.28Å
537S96.4Very high94.3Very high41 Ų41105.7 Ų105.729%0.28750%0.501SS..Hα-helixtrans-59.2-40.6177.6-64.10000112.2H533 L540 T541H533-S537 PolarHBondContact NE2-OG 3.15Å; H533-S537 WeakPolarHBondContact O-CB 3.42Å; H533-S537 PolarHBondContact O-N 3.23Å; H533-S537 PolarHBondContact O-OG 3.49Å; S537-L540 PolarHBondContact O-N 3.18Å; S537-T541 VanDerWaalsContact O-CB 3.3Å; S537-T541 WeakPolarHBondContact O-CB 3.5Å; S537-T541 PolarHBondContact O-N 3.03Å; S537-T541 PolarHBondContact O-OG1 3.32Å
538E96.1Very high94.6Very high88 Ų88105.6 Ų105.641%0.41151%0.512SS..Hα-helixtrans-63.8-49.2175.1-16963.6-141.400110.8R534 A536 L540 T541 Q542 P546R534-E538 PolarHBondContact O-N 3.32Å; R534-E538 VanDerWaalsContact O-N 3.08Å; A536-E538 VanDerWaalsContact C-N 3.3Å; A536-E538 PolarHBondContact O-N 3.34Å; E538-L540 VanDerWaalsContact C-N 3.32Å; E538-L540 PolarHBondContact O-N 3.28Å; E538-T541 PolarHBondContact O-N 3.38Å; E538-Q542 HydrophobicContact CG-CG 4.38Å; E538-Q542 WeakPolarHBondContact O-CB 3.45Å; E538-Q542 VanDerWaalsContact O-CG 3.24Å; E538-Q542 WeakPolarHBondContact O-CG 3.39Å; E538-Q542 PolarHBondContact O-N 2.58Å; E538-Q542 WeakPolarHBondContact OE1-CG 3.47Å; E538-Q542 PolarHBondContact OE1-NE2 3.47Å; E538-P546 HydrophobicContact CG-CG 3.93Å
539L97.4Very high94.7Very high87 Ų87108 Ų10846%0.45552%0.521SS..Hα-helixtrans-57.1-43.8176.8176.464.2000112.3T535 A536 R543 F544T535-L539 PolarHBondContact O-N 2.9Å; A536-L539 PolarHBondContact O-N 2.85Å; L539-R543 WeakPolarHBondContact O-CA 3.44Å; L539-R543 PolarHBondContact O-N 2.98Å; L539-F544 WeakPolarHBondContact CD1-O 3.28Å
540L97.1Very high94.8Very high130 Ų130112.7 Ų112.768%0.68155%0.552SS**Hα-helixtrans-69.6-36.6-179.3-70.9171.1000112.4A536 S537 E538 R543A536-L540 WeakPolarHBondContact O-CB 3.47Å; A536-L540 VanDerWaalsContact O-CG 3.27Å; A536-L540 WeakPolarHBondContact O-CG 3.25Å; A536-L540 PolarHBondContact O-N 3.28Å; S537-L540 PolarHBondContact O-N 3.18Å; E538-L540 VanDerWaalsContact C-N 3.32Å; E538-L540 PolarHBondContact O-N 3.28Å; L540-R543 WeakPolarHBondContact O-CG 3.16Å
541T97.2Very high94.9Very high104 Ų104112.3 Ų112.364%0.63856%0.561SS**Hα-helixtrans-66.2-46.4176.2-59.10000110.5S537 E538S537-T541 VanDerWaalsContact O-CB 3.3Å; S537-T541 WeakPolarHBondContact O-CB 3.5Å; S537-T541 PolarHBondContact O-N 3.03Å; S537-T541 PolarHBondContact O-OG1 3.32Å; E538-T541 PolarHBondContact O-N 3.38Å
542Q96.2Very high94.7Very high76 Ų76109.2 Ų109.236%0.35557%0.565SS.*Hα-helixtrans-78.9-28.3-177.2-59-65-15.600112.3E538 F544 P546E538-Q542 HydrophobicContact CG-CG 4.38Å; E538-Q542 WeakPolarHBondContact O-CB 3.45Å; E538-Q542 VanDerWaalsContact O-CG 3.24Å; E538-Q542 WeakPolarHBondContact O-CG 3.39Å; E538-Q542 PolarHBondContact O-N 2.58Å; E538-Q542 WeakPolarHBondContact OE1-CG 3.47Å; E538-Q542 PolarHBondContact OE1-NE2 3.47Å; Q542-F544 HydrophobicContact CB-CD1 4.2Å; Q542-F544 HydrophobicContact CB-CE1 3.95Å; Q542-F544 HydrophobicContact CB-CZ 4.24Å; Q542-F544 WeakPolarHBondContact O-CD1 3.45Å; Q542-F544 VanDerWaalsContact O-CE1 3.25Å; Q542-F544 WeakPolarHBondContact O-CE1 3.36Å; Q542-F544 PolarHBondContact O-N 3.22Å; Q542-P546 HydrophobicContact CB-CB 4.13Å; Q542-P546 HydrophobicContact CG-CB 3.82Å; Q542-P546 HydrophobicContact CG-CG 4.45Å
543R96.9Very high94.4Very high225 Ų225113 Ų11385%0.84957%0.574SS**SBendtrans62.215.7-174.2-51.9178.7179.2-178.3-1.1114.5L539 L540L539-R543 WeakPolarHBondContact O-CA 3.44Å; L539-R543 PolarHBondContact O-N 2.98Å; L540-R543 WeakPolarHBondContact O-CG 3.16Å
544F95.1Very high93.7Very high122 Ų122113.7 Ų113.754%0.53559%0.587SS.*SBendtrans-152.6165.9171.863.7-88.6000109.7L539 Q542 P546L539-F544 WeakPolarHBondContact CD1-O 3.28Å; Q542-F544 HydrophobicContact CB-CD1 4.2Å; Q542-F544 HydrophobicContact CB-CE1 3.95Å; Q542-F544 HydrophobicContact CB-CZ 4.24Å; Q542-F544 WeakPolarHBondContact O-CD1 3.45Å; Q542-F544 VanDerWaalsContact O-CE1 3.25Å; Q542-F544 WeakPolarHBondContact O-CE1 3.36Å; Q542-F544 PolarHBondContact O-N 3.22Å; F544-P546 HydrophobicContact CE2-CB 4.36Å; F544-P546 WeakPolarHBondContact O-CD 3.41Å; F544-P546 VanDerWaalsContact O-N 3.16Å
545Y94.4Very high92.8Very high170 Ų170118 Ų11867%0.66760%0.603SS**  trans-65.9109.1175176.1-122.4000110.4V547Y545-V547 HydrophobicContact CD1-CB 4.34Å; Y545-V547 HydrophobicContact CD2-CG2 4.29Å; Y545-V547 HydrophobicContact CE1-CB 3.67Å; Y545-V547 HydrophobicContact CE1-CG2 4.17Å; Y545-V547 HydrophobicContact CE2-CB 4Å; Y545-V547 HydrophobicContact CE2-CG2 3.54Å; Y545-V547 VanDerWaalsContact CZ-CB 3.47Å; Y545-V547 VanDerWaalsContact CZ-CG2 3.48Å; Y545-V547 PolarHBondContact O-N 3.45Å; Y545-V547 VanDerWaalsContact O-N 3.15Å; Y545-V547 WeakPolarHBondContact OH-CG2 3.42Å
546P88.7Confident92.7Very high49 Ų49118.8 Ų118.832%0.31860%0.602SS.*  trans-87.614-160.536.3-36.6000114.1E538 Q542 F544E538-P546 HydrophobicContact CG-CG 3.93Å; Q542-P546 HydrophobicContact CB-CB 4.13Å; Q542-P546 HydrophobicContact CG-CB 3.82Å; Q542-P546 HydrophobicContact CG-CG 4.45Å; F544-P546 HydrophobicContact CE2-CB 4.36Å; F544-P546 WeakPolarHBondContact O-CD 3.41Å; F544-P546 VanDerWaalsContact O-N 3.16Å
547V92.9Very high92.5Very high85 Ų85122.5 Ų122.552%0.51561%0.614SS.*PPolyproline II helixtrans-94.2118.8-177.5-177.50000109.5Y545Y545-V547 HydrophobicContact CD1-CB 4.34Å; Y545-V547 HydrophobicContact CD2-CG2 4.29Å; Y545-V547 HydrophobicContact CE1-CB 3.67Å; Y545-V547 HydrophobicContact CE1-CG2 4.17Å; Y545-V547 HydrophobicContact CE2-CB 4Å; Y545-V547 HydrophobicContact CE2-CG2 3.54Å; Y545-V547 VanDerWaalsContact CZ-CB 3.47Å; Y545-V547 VanDerWaalsContact CZ-CG2 3.48Å; Y545-V547 PolarHBondContact O-N 3.45Å; Y545-V547 VanDerWaalsContact O-N 3.15Å; Y545-V547 WeakPolarHBondContact OH-CG2 3.42Å
548S90.7Very high92.2Very high101 Ų101127.1 Ų127.171%0.70663%0.632SS**PPolyproline II helixtrans-82.4128.8166-54.70000109.9
549H93.7Very high92Very high123 Ų123129.4 Ų129.457%0.56965%0.645SS**PPolyproline II helixtrans-62.9139.7171.5-166.8-90.7000109.7L551 A552H549-L551 WeakPolarHBondContact CE1-CD1 3.38Å; H549-L551 VanDerWaalsContact CE1-CG 3.42Å; H549-L551 WeakPolarHBondContact CE1-CG 3.45Å; H549-L551 WeakPolarHBondContact ND1-CB 3.25Å; H549-L551 VanDerWaalsContact ND1-CG 3.29Å; H549-L551 WeakPolarHBondContact ND1-CG 3.49Å; H549-L551 PolarHBondContact ND1-N 2.95Å; H549-L551 PolarHBondContact O-N 2.75Å; H549-A552 VanDerWaalsContact O-CB 3.3Å; H549-A552 WeakPolarHBondContact O-CB 3.45Å; H549-A552 PolarHBondContact O-N 3.33Å
550P93.4Very high91.7Very high109 Ų109132 Ų13271%0.70866%0.656SS**G310 helixtrans-54.7-24.1179.2-29.536.1000115A552 R553P550-A552 PolarHBondContact O-N 3.33Å; P550-R553 PolarHBondContact O-N 3.24Å
551L93.4Very high91.3Very high145 Ų145132.1 Ų132.176%0.75966%0.655SS**G310 helixtrans-68.1-14.5174.1-64.3173000114.3H549 R553H549-L551 WeakPolarHBondContact CE1-CD1 3.38Å; H549-L551 VanDerWaalsContact CE1-CG 3.42Å; H549-L551 WeakPolarHBondContact CE1-CG 3.45Å; H549-L551 WeakPolarHBondContact ND1-CB 3.25Å; H549-L551 VanDerWaalsContact ND1-CG 3.29Å; H549-L551 WeakPolarHBondContact ND1-CG 3.49Å; H549-L551 PolarHBondContact ND1-N 2.95Å; H549-L551 PolarHBondContact O-N 2.75Å; L551-R553 PolarHBondContact O-N 2.76Å
552A91.5Very high90.9Very high77 Ų77134.1 Ų134.164%0.63666%0.656SS**G310 helixtrans-72.8-13.9173.600000112.4H549 P550H549-A552 VanDerWaalsContact O-CB 3.3Å; H549-A552 WeakPolarHBondContact O-CB 3.45Å; H549-A552 PolarHBondContact O-N 3.33Å; P550-A552 PolarHBondContact O-N 3.33Å
553R87.8Confident90.5Very high178 Ų178138.6 Ų138.667%0.67268%0.679SS**  trans-91.2101.7173.8-166.1174-174.7173.31109P550 L551P550-R553 PolarHBondContact O-N 3.24Å; L551-R553 PolarHBondContact O-N 2.76Å
554V81.2Confident90Very high137 Ų137131.4 Ų131.483%0.8367%0.665SS**  trans-75.5126.4165.3-168.60000107
555W76.6Confident89.5Confident281 Ų281132.3 Ų132.3100%1.06468%0.677SS**  trans-73.20177.1-70.496.3000111.9

Retrieved 555 of 555 residues in 666.8 ms (Link to these results)

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