A0A087WTJ8_HUMAN Loading...

Outer dynein arm-docking complex subunit 4

AlphaFold DB , UniProt , Accession A0A087WTJ8, Species HUMAN (Homo sapiens, Human), Gene ODAD4, Length 382 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
1M36.1Very low46.6Very low244 Ų244145.9 Ų145.9100%1.20279%0.792SS**  099.70-75-176.2170.400105.6
2S36.6Very low50Low119 Ų119141.3 Ų141.383%0.83277%0.772SS**PPolyproline II helixtrans-84.5117.4-177.4-23.30000106.7
3D37.4Very low53Low154 Ų154133.5 Ų133.582%0.82473%0.726SS**PPolyproline II helixtrans-58.4131.4171.1-76.9-42.1000108.9E5D3-E5 PolarHBondContact O-N 3.15Å
4P44.8Very low55.6Low118 Ų118130.1 Ų130.177%0.76671%0.714SS**PPolyproline II helixtrans-69.4128.1177.429.7-29.9000107.6G6P4-G6 PolarHBondContact O-N 3Å; P4-G6 VanDerWaalsContact O-N 3.09Å
5E39.7Very low58Low185 Ų185124.9 Ų124.986%0.86469%0.691SS**  trans-40119.2164.3-67.1175.415500108.5D3 E7D3-E5 PolarHBondContact O-N 3.15Å; E5-E7 PolarHBondContact O-N 3.4Å
6G39.7Very low60.2Low66 Ų66120.2 Ų120.268%0.6866%0.66SS**  trans-55.4108.2169.900000107.2P4 T8P4-G6 PolarHBondContact O-N 3Å; P4-G6 VanDerWaalsContact O-N 3.09Å; G6-T8 PolarHBondContact O-N 3.09Å
7E42.2Very low62.1Low182 Ų182114.5 Ų114.585%0.8563%0.628SS**  trans-5293.8163.5-82.9-179.2145.600106.3E5 L9E5-E7 PolarHBondContact O-N 3.4Å; E7-L9 PolarHBondContact O-N 3.42Å
8T49.2Very low63.8Low132 Ų132111.3 Ų111.381%0.8162%0.62SS**  trans-65.290.5162.326.20000103.7G6 R10G6-T8 PolarHBondContact O-N 3.09Å; T8-R10 VanDerWaalsContact C-N 3.3Å; T8-R10 PolarHBondContact O-N 3.24Å
9L51.7Low65.4Low155 Ų155109.2 Ų109.281%0.81260%0.604SS**  trans-42.4103.7166-87.8151.9000106E7 S11E7-L9 PolarHBondContact O-N 3.42Å; L9-S11 PolarHBondContact O-N 2.93Å
10R60.5Low66.8Low210 Ų210103.7 Ų103.779%0.79257%0.574SS**  trans-70.792.1-173.8-168.6175.8-176.7175.10.9105.8T8 T12T8-R10 VanDerWaalsContact C-N 3.3Å; T8-R10 PolarHBondContact O-N 3.24Å; R10-T12 PolarHBondContact O-N 3.31Å
11S74.4Confident68.1Low40 Ų40103.9 Ų103.928%0.2857%0.571SS.*  trans-53.1136.7-178.2-61.80000109.5L9 Y16 L42L9-S11 PolarHBondContact O-N 2.93Å; S11-Y16 VanDerWaalsContact O-CE2 3.24Å; S11-Y16 WeakPolarHBondContact O-CE2 3.31Å; S11-L42 WeakPolarHBondContact O-CD1 3.41Å
12T87.5Confident70.9Confident90 Ų9098.8 Ų98.855%0.55254%0.538SS*.  trans-75.3160.7-177.657.10000110.7R10 S15 Y16R10-T12 PolarHBondContact O-N 3.31Å; T12-S15 WeakPolarHBondContact O-CA 3.46Å; T12-S15 VanDerWaalsContact O-CB 3.25Å; T12-S15 WeakPolarHBondContact O-CB 3.35Å; T12-S15 PolarHBondContact O-N 3.2Å; T12-Y16 PolarHBondContact O-N 3.12Å; T12-Y16 VanDerWaalsContact O-N 3.11Å
13F89.6Confident73.7Confident40 Ų4093.7 Ų93.718%0.17550%0.502CS..Hα-helixtrans-50.7-47.2177.3172.6-89.6000113.3S15 Y16 M17 A39 L42 Q43 D46 C49F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.44Å; F13-Y16 PolarHBondContact O-N 3.15Å; F13-M17 HydrophobicContact CD1-CG 4.18Å; F13-M17 HydrophobicContact CE1-CG 3.68Å; F13-M17 HydrophobicContact CE2-CG 4.14Å; F13-M17 HydrophobicContact CZ-CG 3.66Å; F13-M17 HydrophobicContact CZ-SD 4.09Å; F13-M17 WeakPolarHBondContact O-CG 3.2Å; F13-M17 PolarHBondContact O-N 3.42Å; F13-A39 HydrophobicContact CD2-CB 3.9Å; F13-A39 VanDerWaalsContact CD2-O 3.32Å; F13-A39 WeakPolarHBondContact CD2-O 3.17Å; F13-A39 HydrophobicContact CE2-CB 3.88Å; F13-L42 HydrophobicContact CB-CB 4.46Å; F13-L42 HydrophobicContact CB-CD1 4.38Å; F13-Q43 HydrophobicContact CD2-CB 3.71Å; F13-Q43 HydrophobicContact CE2-CB 3.87Å; F13-Q43 HydrophobicContact CG-CB 4.34Å; F13-D46 HydrophobicContact CE2-CB 4.28Å; F13-D46 HydrophobicContact CZ-CB 3.91Å; F13-C49 HydrophobicContact CE2-CB 4.41Å; F13-C49 HydrophobicContact CZ-CB 4.29Å
14P89.3Confident76.4Confident86 Ų8689.4 Ų89.456%0.55847%0.474SS*.Hα-helixtrans-62.6-31.3176.4-22.935.1000113.5M17 A18P14-M17 PolarHBondContact O-N 2.69Å; P14-A18 WeakPolarHBondContact O-CB 3.48Å; P14-A18 PolarHBondContact O-N 2.83Å
15S91.6Very high78.6Confident53 Ų5390.9 Ų90.937%0.37148%0.475SS..Hα-helixtrans-66.6-46.5177.1-170.10000111.3T12 F13 M17 A18 E19T12-S15 WeakPolarHBondContact O-CA 3.46Å; T12-S15 VanDerWaalsContact O-CB 3.25Å; T12-S15 WeakPolarHBondContact O-CB 3.35Å; T12-S15 PolarHBondContact O-N 3.2Å; F13-S15 VanDerWaalsContact C-N 3.26Å; F13-S15 PolarHBondContact O-N 3.44Å; S15-M17 VanDerWaalsContact C-N 3.34Å; S15-A18 PolarHBondContact O-N 3.38Å; S15-E19 VanDerWaalsContact O-CB 3.3Å; S15-E19 WeakPolarHBondContact O-CB 3.15Å; S15-E19 PolarHBondContact O-N 2.88Å
16Y92.6Very high81.2Confident49 Ų4985.8 Ų85.819%0.19246%0.459CS..Hα-helixtrans-67.5-34.8176.6-77.5-59.7000112.7S11 T12 F13 G20 N38 L42S11-Y16 VanDerWaalsContact O-CE2 3.24Å; S11-Y16 WeakPolarHBondContact O-CE2 3.31Å; T12-Y16 PolarHBondContact O-N 3.12Å; T12-Y16 VanDerWaalsContact O-N 3.11Å; F13-Y16 PolarHBondContact O-N 3.15Å; Y16-G20 PolarHBondContact O-N 3.21Å; Y16-N38 HydrophobicContact CD1-CB 3.97Å; Y16-N38 HydrophobicContact CD2-CB 4.34Å; Y16-N38 HydrophobicContact CE1-CB 3.92Å; Y16-N38 HydrophobicContact CE2-CB 4.28Å; Y16-N38 HydrophobicContact CG-CB 4.18Å; Y16-L42 HydrophobicContact CD2-CD1 3.74Å; Y16-L42 HydrophobicContact CE2-CD1 3.94Å
17M92.8Very high83.6Confident23 Ų2384.4 Ų84.411%0.11345%0.445CS..Hα-helixtrans-62.9-50.3173-78.6-66.5-68.500111.7F13 P14 S15 E19 G20 E21 F36 A39 C49F13-M17 HydrophobicContact CD1-CG 4.18Å; F13-M17 HydrophobicContact CE1-CG 3.68Å; F13-M17 HydrophobicContact CE2-CG 4.14Å; F13-M17 HydrophobicContact CZ-CG 3.66Å; F13-M17 HydrophobicContact CZ-SD 4.09Å; F13-M17 WeakPolarHBondContact O-CG 3.2Å; F13-M17 PolarHBondContact O-N 3.42Å; P14-M17 PolarHBondContact O-N 2.69Å; S15-M17 VanDerWaalsContact C-N 3.34Å; M17-E19 VanDerWaalsContact C-N 3.34Å; M17-E19 PolarHBondContact O-N 3Å; M17-G20 PolarHBondContact O-N 3.14Å; M17-E21 WeakPolarHBondContact O-CG 3.44Å; M17-E21 PolarHBondContact O-N 3.46Å; M17-F36 HydrophobicContact CE-CE1 4.39Å; M17-F36 HydrophobicContact SD-CD1 3.8Å; M17-F36 HydrophobicContact SD-CE1 3.9Å; M17-A39 HydrophobicContact CG-CB 4.31Å; M17-A39 HydrophobicContact SD-CB 4.38Å; M17-C49 HydrophobicContact CE-CB 4.26Å; M17-C49 HydrophobicContact SD-CB 3.6Å; M17-C49 PolarHBondContact SD-SG 3.2Å
18A93.1Very high86Confident58 Ų5879.7 Ų79.748%0.47942%0.422SS..Hα-helixtrans-64.5-38178.700000112.2P14 S15 R22P14-A18 WeakPolarHBondContact O-CB 3.48Å; P14-A18 PolarHBondContact O-N 2.83Å; S15-A18 PolarHBondContact O-N 3.38Å; A18-R22 WeakPolarHBondContact O-CB 3.27Å; A18-R22 PolarHBondContact O-N 3.3Å
19E93.4Very high88.1Confident70 Ų7076 Ų7633%0.32740%0.396SS..Hα-helixtrans-63.9-46.4174.1-174.1-177.1-168.800111.6S15 M17 E21 R22 L23S15-E19 VanDerWaalsContact O-CB 3.3Å; S15-E19 WeakPolarHBondContact O-CB 3.15Å; S15-E19 PolarHBondContact O-N 2.88Å; M17-E19 VanDerWaalsContact C-N 3.34Å; M17-E19 PolarHBondContact O-N 3Å; E19-E21 PolarHBondContact O-N 2.91Å; E19-R22 PolarHBondContact O-N 3.16Å; E19-L23 HydrophobicContact CG-CD1 3.99Å; E19-L23 HydrophobicContact CG-CG 4.47Å; E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 VanDerWaalsContact O-CG 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 2.96Å
20G93.9Very high90.1Very high0 Ų072 Ų720%038%0.38CS..Hα-helixtrans-60.7-42.7177.100000112.4Y16 M17 L23 Y24Y16-G20 PolarHBondContact O-N 3.21Å; M17-G20 PolarHBondContact O-N 3.14Å; G20-L23 PolarHBondContact O-N 3.1Å; G20-Y24 WeakPolarHBondContact O-CB 3.44Å; G20-Y24 PolarHBondContact O-N 3.34Å
21E93.9Very high91.7Very high108 Ų10867.2 Ų67.251%0.50537%0.365SS..Hα-helixtrans-63.5-43.6175-73.9-179.1173.400112M17 E19 Y24 L25 F36M17-E21 WeakPolarHBondContact O-CG 3.44Å; M17-E21 PolarHBondContact O-N 3.46Å; E19-E21 PolarHBondContact O-N 2.91Å; E21-Y24 WeakPolarHBondContact O-CB 3.48Å; E21-Y24 PolarHBondContact O-N 3.4Å; E21-L25 WeakPolarHBondContact O-CG 3.28Å; E21-L25 PolarHBondContact O-N 2.74Å; E21-F36 HydrophobicContact CG-CE1 4.49Å; E21-F36 HydrophobicContact CG-CZ 4.27Å
22R95.7Very high92.6Very high137 Ų13765.3 Ų65.352%0.51735%0.352SS..Hα-helixtrans-60.5-47.4175.3-174.5-171.865.378.50.9111.4A18 E19 Y24 L25 C26A18-R22 WeakPolarHBondContact O-CB 3.27Å; A18-R22 PolarHBondContact O-N 3.3Å; E19-R22 PolarHBondContact O-N 3.16Å; R22-Y24 VanDerWaalsContact C-N 3.31Å; R22-Y24 PolarHBondContact O-N 3.37Å; R22-L25 PolarHBondContact O-N 3.3Å; R22-C26 PolarHBondContact O-N 3.18Å; R22-C26 PolarHBondContact O-SG 3.14Å; R22-C26 VanDerWaalsContact O-SG 3.33Å
23L94.4Very high93Very high12 Ų1261.3 Ų61.36%0.06333%0.328CS..Hα-helixtrans-64.1-36.8178.6-71.6169.7000112E19 G20 C26 G27 E28 K31 A32E19-L23 HydrophobicContact CG-CD1 3.99Å; E19-L23 HydrophobicContact CG-CG 4.47Å; E19-L23 WeakPolarHBondContact O-CB 3.46Å; E19-L23 VanDerWaalsContact O-CG 3.31Å; E19-L23 WeakPolarHBondContact O-CG 3.47Å; E19-L23 PolarHBondContact O-N 2.96Å; G20-L23 PolarHBondContact O-N 3.1Å; L23-C26 PolarHBondContact O-N 2.94Å; L23-G27 PolarHBondContact O-N 2.78Å; L23-E28 HydrophobicContact CD2-CB 4.42Å; L23-E28 PolarHBondContact O-N 3.45Å; L23-K31 HydrophobicContact CD1-CB 4Å; L23-A32 HydrophobicContact CB-CB 3.81Å
24Y93.6Very high93.2Very high64 Ų6464.9 Ų64.925%0.25135%0.345SS..Hα-helixtrans-61-43.8173.8-175.8-91.4000111.6G20 E21 R22 C26 G27 F29 K55 C56 K59G20-Y24 WeakPolarHBondContact O-CB 3.44Å; G20-Y24 PolarHBondContact O-N 3.34Å; E21-Y24 WeakPolarHBondContact O-CB 3.48Å; E21-Y24 PolarHBondContact O-N 3.4Å; R22-Y24 VanDerWaalsContact C-N 3.31Å; R22-Y24 PolarHBondContact O-N 3.37Å; Y24-C26 VanDerWaalsContact C-N 3.3Å; Y24-C26 PolarHBondContact O-N 3.26Å; Y24-G27 PolarHBondContact O-N 3.38Å; Y24-G27 VanDerWaalsContact O-N 3.1Å; Y24-F29 AromaticContact CD2-CD1 3.74Å; Y24-F29 HydrophobicContact CD2-CD1 3.74Å; Y24-F29 AromaticContact CD2-CE1 3.89Å; Y24-F29 HydrophobicContact CD2-CE1 3.89Å; Y24-F29 AromaticContact CE2-CD1 3.87Å; Y24-F29 HydrophobicContact CE2-CD1 3.87Å; Y24-F29 AromaticContact CE2-CE1 3.82Å; Y24-F29 HydrophobicContact CE2-CE1 3.82Å; Y24-F29 HydrophobicContact CG-CE1 4.41Å; Y24-K55 HydrophobicContact CE2-CB 4.04Å; Y24-C56 VanDerWaalsContact CD2-SG 3.6Å; Y24-K59 HydrophobicContact CE2-CG 4.28Å
25L92.9Very high93.4Very high148 Ų14861.2 Ų61.278%0.77532%0.321SS*.Hα-helixtrans-66-32.1176-68173.1000112.5E21 R22 G27E21-L25 WeakPolarHBondContact O-CG 3.28Å; E21-L25 PolarHBondContact O-N 2.74Å; R22-L25 PolarHBondContact O-N 3.3Å; L25-G27 PolarHBondContact O-N 3.47Å
26C92.2Very high93.5Very high79 Ų7958.8 Ų58.853%0.53430%0.304SS..THydrogen-bonded Turntrans-74.2-6.1173.4-65.50000113.8R22 L23 Y24 E28R22-C26 PolarHBondContact O-N 3.18Å; R22-C26 PolarHBondContact O-SG 3.14Å; R22-C26 VanDerWaalsContact O-SG 3.33Å; L23-C26 PolarHBondContact O-N 2.94Å; Y24-C26 VanDerWaalsContact C-N 3.3Å; Y24-C26 PolarHBondContact O-N 3.26Å; C26-E28 VanDerWaalsContact C-N 3.29Å; C26-E28 PolarHBondContact O-N 3.08Å
27G90.6Very high93.6Very high37 Ų3757.8 Ų57.838%0.38131%0.305SS..THydrogen-bonded Turntrans805.4-177.800000114.6L23 Y24 L25 F29L23-G27 PolarHBondContact O-N 2.78Å; Y24-G27 PolarHBondContact O-N 3.38Å; Y24-G27 VanDerWaalsContact O-N 3.1Å; L25-G27 PolarHBondContact O-N 3.47Å; G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 WeakPolarHBondContact O-CD2 3.27Å; G27-F29 WeakPolarHBondContact O-CE2 3.43Å; G27-F29 PolarHBondContact O-N 3.44Å
28E93.8Very high93.5Very high82 Ų8259.9 Ų59.938%0.38332%0.316SS..  trans-85.867.7178.5-66.7-169.9-147.900111.1L23 C26 S30 K31 A32L23-E28 HydrophobicContact CD2-CB 4.42Å; L23-E28 PolarHBondContact O-N 3.45Å; C26-E28 VanDerWaalsContact C-N 3.29Å; C26-E28 PolarHBondContact O-N 3.08Å; E28-S30 VanDerWaalsContact C-N 3.33Å; E28-S30 PolarHBondContact O-N 3.38Å; E28-K31 PolarHBondContact O-N 3.02Å; E28-K31 WeakPolarHBondContact OE2-CD 3.45Å; E28-K31 WeakPolarHBondContact OE2-CE 3.49Å; E28-K31 IonicContact OE2-NZ 2.64Å; E28-K31 PolarHBondContact OE2-NZ 3.18Å; E28-A32 WeakPolarHBondContact O-CB 3.08Å; E28-A32 PolarHBondContact O-N 3.04Å
29F93.4Very high93.4Very high56 Ų5657.1 Ų57.125%0.24629%0.293CS..Hα-helixtrans-63.6-32.6-170.5-54.6-59.4000114.6Y24 G27 A33 K59 M60Y24-F29 AromaticContact CD2-CD1 3.74Å; Y24-F29 HydrophobicContact CD2-CD1 3.74Å; Y24-F29 AromaticContact CD2-CE1 3.89Å; Y24-F29 HydrophobicContact CD2-CE1 3.89Å; Y24-F29 AromaticContact CE2-CD1 3.87Å; Y24-F29 HydrophobicContact CE2-CD1 3.87Å; Y24-F29 AromaticContact CE2-CE1 3.82Å; Y24-F29 HydrophobicContact CE2-CE1 3.82Å; Y24-F29 HydrophobicContact CG-CE1 4.41Å; G27-F29 VanDerWaalsContact C-N 3.3Å; G27-F29 WeakPolarHBondContact O-CD2 3.27Å; G27-F29 WeakPolarHBondContact O-CE2 3.43Å; G27-F29 PolarHBondContact O-N 3.44Å; F29-A33 WeakPolarHBondContact O-CB 3.17Å; F29-A33 PolarHBondContact O-N 2.95Å; F29-K59 HydrophobicContact CD1-CB 3.93Å; F29-K59 HydrophobicContact CD1-CG 4.27Å; F29-K59 HydrophobicContact CD2-CB 3.83Å; F29-K59 HydrophobicContact CE1-CB 4.03Å; F29-K59 HydrophobicContact CE1-CG 4Å; F29-K59 HydrophobicContact CE2-CB 3.92Å; F29-K59 HydrophobicContact CE2-CG 4.49Å; F29-K59 HydrophobicContact CG-CB 3.84Å; F29-K59 HydrophobicContact CZ-CB 4.02Å; F29-K59 HydrophobicContact CZ-CG 4.11Å; F29-M60 HydrophobicContact CB-CG 3.68Å; F29-M60 HydrophobicContact CB-SD 4.1Å
30S93.9Very high93.3Very high70 Ų7054.4 Ų54.449%0.4928%0.281SS..Hα-helixtrans-66.4-48.5178.7177.30000111.7E28 A33 Q34 M60E28-S30 VanDerWaalsContact C-N 3.33Å; E28-S30 PolarHBondContact O-N 3.38Å; S30-A33 PolarHBondContact O-N 2.95Å; S30-Q34 WeakPolarHBondContact O-CG 3.44Å; S30-Q34 PolarHBondContact O-N 3.04Å; S30-Q34 VanDerWaalsContact O-N 3.16Å; S30-M60 VanDerWaalsContact CA-SD 3.59Å
31K93.3Very high93.2Very high109 Ų10963.8 Ų63.847%0.47432%0.318SS..Hα-helixtrans-67.1-39.2176.4-60.8-169-162152.60111.3L23 E28 A33 Q34 S35L23-K31 HydrophobicContact CD1-CB 4Å; E28-K31 PolarHBondContact O-N 3.02Å; E28-K31 WeakPolarHBondContact OE2-CD 3.45Å; E28-K31 WeakPolarHBondContact OE2-CE 3.49Å; E28-K31 IonicContact OE2-NZ 2.64Å; E28-K31 PolarHBondContact OE2-NZ 3.18Å; K31-A33 VanDerWaalsContact C-N 3.33Å; K31-A33 PolarHBondContact O-N 3.1Å; K31-Q34 WeakPolarHBondContact O-CB 3.32Å; K31-Q34 PolarHBondContact O-N 2.98Å; K31-Q34 VanDerWaalsContact O-N 3.12Å; K31-S35 PolarHBondContact O-N 3.15Å; K31-S35 PolarHBondContact O-OG 2.69Å
32A94.1Very high92.9Very high0 Ų061.9 Ų61.90%031%0.311CS..Hα-helixtrans-58-44.7174.300000112L23 E28 Q34 S35 F36L23-A32 HydrophobicContact CB-CB 3.81Å; E28-A32 WeakPolarHBondContact O-CB 3.08Å; E28-A32 PolarHBondContact O-N 3.04Å; A32-Q34 VanDerWaalsContact C-N 3.28Å; A32-Q34 PolarHBondContact O-N 2.88Å; A32-S35 PolarHBondContact O-N 2.91Å; A32-F36 HydrophobicContact CB-CE2 4.3Å; A32-F36 WeakPolarHBondContact O-CD2 3.33Å; A32-F36 WeakPolarHBondContact O-CG 3.44Å; A32-F36 PolarHBondContact O-N 3.42Å
33A94.1Very high92.4Very high6 Ų659.7 Ų59.75%0.0531%0.306CS..Hα-helixtrans-62.8-33.9176.500000112.8F29 S30 K31 S37 C56 F57 M60F29-A33 WeakPolarHBondContact O-CB 3.17Å; F29-A33 PolarHBondContact O-N 2.95Å; S30-A33 PolarHBondContact O-N 2.95Å; K31-A33 VanDerWaalsContact C-N 3.33Å; K31-A33 PolarHBondContact O-N 3.1Å; A33-S37 WeakPolarHBondContact O-CB 3.32Å; A33-S37 PolarHBondContact O-N 3.29Å; A33-S37 PolarHBondContact O-OG 3.41Å; A33-C56 HydrophobicContact CB-CB 3.95Å; A33-F57 HydrophobicContact CB-CE1 4.33Å; A33-M60 HydrophobicContact CB-CE 3.94Å
34Q93.9Very high91.9Very high115 Ų11566.2 Ų66.254%0.53734%0.341SS..Hα-helixtrans-67.4-47.1173.2-67.6172.45.600111.3S30 K31 A32 F36 S37 N38S30-Q34 WeakPolarHBondContact O-CG 3.44Å; S30-Q34 PolarHBondContact O-N 3.04Å; S30-Q34 VanDerWaalsContact O-N 3.16Å; K31-Q34 WeakPolarHBondContact O-CB 3.32Å; K31-Q34 PolarHBondContact O-N 2.98Å; K31-Q34 VanDerWaalsContact O-N 3.12Å; A32-Q34 VanDerWaalsContact C-N 3.28Å; A32-Q34 PolarHBondContact O-N 2.88Å; Q34-F36 VanDerWaalsContact C-N 3.33Å; Q34-F36 PolarHBondContact O-N 3.38Å; Q34-S37 WeakPolarHBondContact O-CA 3.39Å; Q34-S37 WeakPolarHBondContact O-CB 3.17Å; Q34-S37 PolarHBondContact O-N 2.98Å; Q34-N38 PolarHBondContact O-N 3.34Å
35S93.4Very high91.4Very high9 Ų964.8 Ų64.86%0.06335%0.346CS..Hα-helixtrans-58.9-42175.5-590000112.1K31 A32 S37 N38 A39K31-S35 PolarHBondContact O-N 3.15Å; K31-S35 PolarHBondContact O-OG 2.69Å; A32-S35 PolarHBondContact O-N 2.91Å; S35-S37 VanDerWaalsContact C-N 3.34Å; S35-S37 PolarHBondContact O-N 3.29Å; S35-N38 PolarHBondContact O-N 3.45Å; S35-A39 PolarHBondContact O-N 2.96Å
36F94.5Very high91.3Very high3 Ų359.1 Ų59.11%0.01332%0.316CS..Hα-helixtrans-67.5-32173.7-67.5-51.7000113.1M17 E21 A32 Q34 A39 L40 C49 A52 R53M17-F36 HydrophobicContact CE-CE1 4.39Å; M17-F36 HydrophobicContact SD-CD1 3.8Å; M17-F36 HydrophobicContact SD-CE1 3.9Å; E21-F36 HydrophobicContact CG-CE1 4.49Å; E21-F36 HydrophobicContact CG-CZ 4.27Å; A32-F36 HydrophobicContact CB-CE2 4.3Å; A32-F36 WeakPolarHBondContact O-CD2 3.33Å; A32-F36 WeakPolarHBondContact O-CG 3.44Å; A32-F36 PolarHBondContact O-N 3.42Å; Q34-F36 VanDerWaalsContact C-N 3.33Å; Q34-F36 PolarHBondContact O-N 3.38Å; F36-A39 WeakPolarHBondContact O-CB 3.42Å; F36-A39 PolarHBondContact O-N 2.85Å; F36-L40 WeakPolarHBondContact O-CG 3.37Å; F36-L40 PolarHBondContact O-N 3.45Å; F36-C49 PolarHBondContact O-SG 3.42Å; F36-C49 VanDerWaalsContact O-SG 3.41Å; F36-A52 HydrophobicContact CD1-CB 4.09Å; F36-A52 HydrophobicContact CD2-CB 4.27Å; F36-A52 HydrophobicContact CE1-CB 3.69Å; F36-A52 HydrophobicContact CE2-CB 3.88Å; F36-A52 HydrophobicContact CG-CB 4.38Å; F36-A52 HydrophobicContact CZ-CB 3.58Å; F36-R53 HydrophobicContact CB-CB 3.92Å; F36-R53 HydrophobicContact CB-CG 4.13Å; F36-R53 HydrophobicContact CG-CB 4.47Å
37S94.1Very high91.3Very high28 Ų2858.4 Ų58.420%0.19630%0.304CS..Hα-helixtrans-68.5-39.4173.9-590000111.3A33 Q34 S35 A39 L40 Y41 R53A33-S37 WeakPolarHBondContact O-CB 3.32Å; A33-S37 PolarHBondContact O-N 3.29Å; A33-S37 PolarHBondContact O-OG 3.41Å; Q34-S37 WeakPolarHBondContact O-CA 3.39Å; Q34-S37 WeakPolarHBondContact O-CB 3.17Å; Q34-S37 PolarHBondContact O-N 2.98Å; S35-S37 VanDerWaalsContact C-N 3.34Å; S35-S37 PolarHBondContact O-N 3.29Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.39Å; S37-L40 PolarHBondContact O-N 3.05Å; S37-Y41 WeakPolarHBondContact O-CD2 3.33Å; S37-Y41 PolarHBondContact O-N 3.46Å; S37-R53 WeakPolarHBondContact OG-CD 3.47Å; S37-R53 PolarHBondContact OG-NH1 3.47Å
38N91.5Very high91.4Very high66 Ų6659.8 Ų59.835%0.35330%0.303SS..Hα-helixtrans-62.5-38.1171.7-66.7-17.1000112Y16 Q34 S35 Y41 L42Y16-N38 HydrophobicContact CD1-CB 3.97Å; Y16-N38 HydrophobicContact CD2-CB 4.34Å; Y16-N38 HydrophobicContact CE1-CB 3.92Å; Y16-N38 HydrophobicContact CE2-CB 4.28Å; Y16-N38 HydrophobicContact CG-CB 4.18Å; Q34-N38 PolarHBondContact O-N 3.34Å; S35-N38 PolarHBondContact O-N 3.45Å; N38-Y41 PolarHBondContact O-N 3.43Å; N38-L42 PolarHBondContact O-N 3.08Å
39A91.8Very high91.4Very high0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-62.7-44.8172.600000111.8F13 M17 S35 F36 S37 Y41 L42 Q43F13-A39 HydrophobicContact CD2-CB 3.9Å; F13-A39 VanDerWaalsContact CD2-O 3.32Å; F13-A39 WeakPolarHBondContact CD2-O 3.17Å; F13-A39 HydrophobicContact CE2-CB 3.88Å; M17-A39 HydrophobicContact CG-CB 4.31Å; M17-A39 HydrophobicContact SD-CB 4.38Å; S35-A39 PolarHBondContact O-N 2.96Å; F36-A39 WeakPolarHBondContact O-CB 3.42Å; F36-A39 PolarHBondContact O-N 2.85Å; S37-A39 VanDerWaalsContact C-N 3.32Å; S37-A39 PolarHBondContact O-N 3.39Å; A39-Y41 VanDerWaalsContact C-N 3.29Å; A39-Y41 PolarHBondContact O-N 3.45Å; A39-L42 WeakPolarHBondContact O-CB 3.14Å; A39-L42 PolarHBondContact O-N 3.05Å; A39-Q43 PolarHBondContact O-N 3.44Å
40L91.3Very high91.5Very high14 Ų1453.9 Ų53.97%0.07328%0.276CS..Hα-helixtrans-66.9-27.4177.9-71.7165.2000113.4F36 S37 L42 Q43 D44 C49 L50 R53F36-L40 WeakPolarHBondContact O-CG 3.37Å; F36-L40 PolarHBondContact O-N 3.45Å; S37-L40 PolarHBondContact O-N 3.05Å; L40-L42 PolarHBondContact O-N 3.14Å; L40-Q43 CarbonylContact O-C 3.3Å; L40-Q43 VanDerWaalsContact O-C 3.3Å; L40-D44 WeakPolarHBondContact O-CA 3.31Å; L40-D44 PolarHBondContact O-N 3Å; L40-C49 HydrophobicContact CD2-CB 3.96Å; L40-C49 HydrophobicContact CG-CB 4.29Å; L40-L50 HydrophobicContact CD1-CD2 3.83Å; L40-L50 HydrophobicContact CD2-CD2 4.06Å; L40-L50 HydrophobicContact CD2-CG 4.04Å; L40-R53 VanDerWaalsContact CD1-NH1 3.29Å
41Y90.3Very high91.6Very high196 Ų19650.9 Ų50.977%0.76926%0.255SS*.Hα-helixtrans-64.8-28.4170.4-81.3-63.7000113.1S37 N38 A39S37-Y41 WeakPolarHBondContact O-CD2 3.33Å; S37-Y41 PolarHBondContact O-N 3.46Å; N38-Y41 PolarHBondContact O-N 3.43Å; A39-Y41 VanDerWaalsContact C-N 3.29Å; A39-Y41 PolarHBondContact O-N 3.45Å
42L88.4Confident91.7Very high68 Ų6846.5 Ų46.536%0.35624%0.239SC..Hα-helixtrans-85.5-41.8177.9-63.1176.7000112.2S11 F13 Y16 N38 A39 L40S11-L42 WeakPolarHBondContact O-CD1 3.41Å; F13-L42 HydrophobicContact CB-CB 4.46Å; F13-L42 HydrophobicContact CB-CD1 4.38Å; Y16-L42 HydrophobicContact CD2-CD1 3.74Å; Y16-L42 HydrophobicContact CE2-CD1 3.94Å; N38-L42 PolarHBondContact O-N 3.08Å; A39-L42 WeakPolarHBondContact O-CB 3.14Å; A39-L42 PolarHBondContact O-N 3.05Å; L40-L42 PolarHBondContact O-N 3.14Å
43Q86.1Confident91.8Very high91 Ų9148.7 Ų48.743%0.42525%0.248SC..SBendtrans-130.497177.1-174177.8-14.900109.4F13 A39 L40 D46F13-Q43 HydrophobicContact CD2-CB 3.71Å; F13-Q43 HydrophobicContact CE2-CB 3.87Å; F13-Q43 HydrophobicContact CG-CB 4.34Å; A39-Q43 PolarHBondContact O-N 3.44Å; L40-Q43 CarbonylContact O-C 3.3Å; L40-Q43 VanDerWaalsContact O-C 3.3Å; Q43-D46 HydrophobicContact CG-CB 4.46Å
44D83.3Confident91.9Very high150 Ų15048.4 Ų48.480%0.80225%0.245SC*.THydrogen-bonded Turntrans-69.7137.2176.9-167.219.2000110.4L40L40-D44 WeakPolarHBondContact O-CA 3.31Å; L40-D44 PolarHBondContact O-N 3Å
45G82.9Confident92Very high34 Ų3446.5 Ų46.535%0.35124%0.235SC..THydrogen-bonded Turntrans81.99.9176.300000117.4K47G45-K47 PolarHBondContact O-N 2.98Å; G45-K47 VanDerWaalsContact O-N 3.15Å
46D90.9Very high92.1Very high28 Ų2846.1 Ų46.115%0.1523%0.232CC..  trans-65.2116.9172.1-179.157.1000111.6F13 Q43 N48 C49 L50F13-D46 HydrophobicContact CE2-CB 4.28Å; F13-D46 HydrophobicContact CZ-CB 3.91Å; Q43-D46 HydrophobicContact CG-CB 4.46Å; D46-N48 VanDerWaalsContact C-N 3.31Å; D46-N48 PolarHBondContact O-N 3.02Å; D46-N48 PolarHBondContact OD2-N 3.39Å; D46-C49 HydrophobicContact CB-CB 4.07Å; D46-C49 PolarHBondContact O-N 3.15Å; D46-C49 WeakPolarHBondContact OD2-CB 3.34Å; D46-C49 PolarHBondContact OD2-N 3.43Å; D46-L50 WeakPolarHBondContact O-CG 3.33Å; D46-L50 PolarHBondContact O-N 2.85Å
47K92.2Very high92.2Very high65 Ų6547 Ų4728%0.28324%0.236SC..Hα-helixtrans-64.7-32.4-174.966.2-173.7-177.6-173.20113.5G45 V51 D77 F80G45-K47 PolarHBondContact O-N 2.98Å; G45-K47 VanDerWaalsContact O-N 3.15Å; K47-V51 WeakPolarHBondContact O-CG2 3.16Å; K47-V51 PolarHBondContact O-N 3.3Å; K47-V51 VanDerWaalsContact O-N 3.17Å; K47-D77 HydrophobicContact CD-CB 4.46Å; K47-D77 IonicContact NZ-OD2 2.86Å; K47-D77 PolarHBondContact NZ-OD2 3.03Å; K47-F80 HydrophobicContact CB-CD1 4.16Å; K47-F80 HydrophobicContact CB-CE1 3.88Å; K47-F80 HydrophobicContact CB-CZ 4.34Å; K47-F80 HydrophobicContact CD-CD1 4.06Å; K47-F80 HydrophobicContact CD-CD2 3.88Å; K47-F80 HydrophobicContact CD-CE1 4.13Å; K47-F80 HydrophobicContact CD-CE2 3.97Å; K47-F80 HydrophobicContact CD-CG 3.94Å; K47-F80 HydrophobicContact CD-CZ 4.08Å; K47-F80 HydrophobicContact CG-CD1 4.28Å; K47-F80 HydrophobicContact CG-CE1 3.89Å; K47-F80 HydrophobicContact CG-CE2 4.2Å; K47-F80 HydrophobicContact CG-CZ 3.85Å
48N92.6Very high92.2Very high66 Ų6647 Ų4735%0.35323%0.234SC..Hα-helixtrans-73.8-42.7179.6-66.3-53.1000110.7D46 V51 A52 F80D46-N48 VanDerWaalsContact C-N 3.31Å; D46-N48 PolarHBondContact O-N 3.02Å; D46-N48 PolarHBondContact OD2-N 3.39Å; N48-V51 PolarHBondContact O-N 3.27Å; N48-A52 WeakPolarHBondContact O-CB 3.45Å; N48-A52 PolarHBondContact O-N 2.8Å; N48-F80 WeakPolarHBondContact OD1-CZ 3.35Å
49C94.1Very high92.3Very high0 Ų049.9 Ų49.90%024%0.243CC..Hα-helixtrans-61.9-42.6175.2-168.20000111.9F13 M17 F36 L40 D46 V51 A52 R53F13-C49 HydrophobicContact CE2-CB 4.41Å; F13-C49 HydrophobicContact CZ-CB 4.29Å; M17-C49 HydrophobicContact CE-CB 4.26Å; M17-C49 HydrophobicContact SD-CB 3.6Å; M17-C49 PolarHBondContact SD-SG 3.2Å; F36-C49 PolarHBondContact O-SG 3.42Å; F36-C49 VanDerWaalsContact O-SG 3.41Å; L40-C49 HydrophobicContact CD2-CB 3.96Å; L40-C49 HydrophobicContact CG-CB 4.29Å; D46-C49 HydrophobicContact CB-CB 4.07Å; D46-C49 PolarHBondContact O-N 3.15Å; D46-C49 WeakPolarHBondContact OD2-CB 3.34Å; D46-C49 PolarHBondContact OD2-N 3.43Å; C49-V51 PolarHBondContact O-N 2.73Å; C49-A52 PolarHBondContact O-N 2.78Å; C49-R53 WeakPolarHBondContact O-CB 3.3Å; C49-R53 PolarHBondContact O-N 3.02Å
50L95.3Very high92.3Very high13 Ų1353.2 Ų53.27%0.06826%0.26CS..Hα-helixtrans-60.2-43.4175-72.5169.5000112.1L40 D46 R53 S54 A72L40-L50 HydrophobicContact CD1-CD2 3.83Å; L40-L50 HydrophobicContact CD2-CD2 4.06Å; L40-L50 HydrophobicContact CD2-CG 4.04Å; D46-L50 WeakPolarHBondContact O-CG 3.33Å; D46-L50 PolarHBondContact O-N 2.85Å; L50-R53 PolarHBondContact O-N 2.99Å; L50-S54 VanDerWaalsContact O-CB 3.29Å; L50-S54 WeakPolarHBondContact O-CB 3.32Å; L50-S54 PolarHBondContact O-N 2.74Å; L50-A72 HydrophobicContact CD1-CB 4Å; L50-A72 HydrophobicContact CD2-CB 4.46Å
51V96.4Very high92.2Very high7 Ų754.9 Ų54.94%0.04228%0.28CS..Hα-helixtrans-64.7-42174.91680000111.6K47 N48 C49 S54 K55 F80 Q86K47-V51 WeakPolarHBondContact O-CG2 3.16Å; K47-V51 PolarHBondContact O-N 3.3Å; K47-V51 VanDerWaalsContact O-N 3.17Å; N48-V51 PolarHBondContact O-N 3.27Å; C49-V51 PolarHBondContact O-N 2.73Å; V51-S54 PolarHBondContact O-N 3.41Å; V51-K55 HydrophobicContact CG1-CD 4.47Å; V51-K55 WeakPolarHBondContact O-CG 3.47Å; V51-K55 PolarHBondContact O-N 3.42Å; V51-F80 HydrophobicContact CG2-CD1 4.48Å; V51-F80 HydrophobicContact CG2-CE1 3.65Å; V51-F80 HydrophobicContact CG2-CZ 4.46Å; V51-Q86 HydrophobicContact CG1-CB 4.13Å; V51-Q86 HydrophobicContact CG1-CG 4.29Å; V51-Q86 HydrophobicContact CG2-CB 4.49Å
52A95.2Very high92.3Very high17 Ų1748.9 Ų48.914%0.1426%0.262CS..Hα-helixtrans-63.5-42178.500000111.8F36 N48 C49 K55 C56F36-A52 HydrophobicContact CD1-CB 4.09Å; F36-A52 HydrophobicContact CD2-CB 4.27Å; F36-A52 HydrophobicContact CE1-CB 3.69Å; F36-A52 HydrophobicContact CE2-CB 3.88Å; F36-A52 HydrophobicContact CG-CB 4.38Å; F36-A52 HydrophobicContact CZ-CB 3.58Å; N48-A52 WeakPolarHBondContact O-CB 3.45Å; N48-A52 PolarHBondContact O-N 2.8Å; C49-A52 PolarHBondContact O-N 2.78Å; A52-K55 WeakPolarHBondContact O-CB 3.38Å; A52-K55 PolarHBondContact O-N 3.31Å; A52-C56 PolarHBondContact O-N 3.17Å; A52-C56 PolarHBondContact O-SG 2.63Å; A52-C56 VanDerWaalsContact O-SG 3.4Å
53R95.8Very high92.6Very high47 Ų4747.8 Ų47.818%0.17726%0.256CS..Hα-helixtrans-66.3-42.2174.5-163.9173.968.3-178.5-4.7112.3F36 S37 L40 C49 L50 K55 C56 F57 D69F36-R53 HydrophobicContact CB-CB 3.92Å; F36-R53 HydrophobicContact CB-CG 4.13Å; F36-R53 HydrophobicContact CG-CB 4.47Å; S37-R53 WeakPolarHBondContact OG-CD 3.47Å; S37-R53 PolarHBondContact OG-NH1 3.47Å; L40-R53 VanDerWaalsContact CD1-NH1 3.29Å; C49-R53 WeakPolarHBondContact O-CB 3.3Å; C49-R53 PolarHBondContact O-N 3.02Å; L50-R53 PolarHBondContact O-N 2.99Å; R53-K55 VanDerWaalsContact C-N 3.28Å; R53-K55 PolarHBondContact O-N 3Å; R53-C56 WeakPolarHBondContact O-CB 3.45Å; R53-C56 PolarHBondContact O-N 2.88Å; R53-C56 VanDerWaalsContact O-N 3.08Å; R53-F57 HydrophobicContact CG-CD2 4.1Å; R53-F57 HydrophobicContact CG-CE2 3.57Å; R53-F57 HydrophobicContact CG-CZ 4.16Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 PolarHBondContact O-N 2.9Å; R53-D69 IonicContact CZ-OD1 2.78Å; R53-D69 IonicContact CZ-OD2 2.8Å; R53-D69 IonicContact NE-OD1 2.71Å; R53-D69 IonicContact NE-OD2 2.83Å; R53-D69 PolarHBondContact NE-OD2 2.88Å; R53-D69 IonicContact NH2-OD1 2.73Å; R53-D69 PolarHBondContact NH2-OD1 3.43Å; R53-D69 IonicContact NH2-OD2 3.93Å; R53-D69 PolarHBondContact NH2-OD2 3.48Å
54S96.4Very high93Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-57.8-39.1174.1177.70000112.3L50 V51 F57 L58 S66 Q86L50-S54 VanDerWaalsContact O-CB 3.29Å; L50-S54 WeakPolarHBondContact O-CB 3.32Å; L50-S54 PolarHBondContact O-N 2.74Å; V51-S54 PolarHBondContact O-N 3.41Å; S54-F57 PolarHBondContact O-N 2.97Å; S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 3.28Å; S54-S66 PolarHBondContact O-OG 3.42Å; S54-S66 PolarHBondContact OG-O 2.96Å; S54-S66 PolarHBondContact OG-OG 3.45Å; S54-Q86 VanDerWaalsContact OG-CG 3.28Å; S54-Q86 WeakPolarHBondContact OG-CG 3.5Å
55K95.4Very high93.5Very high75 Ų7550 Ų5033%0.32626%0.255SS..Hα-helixtrans-63-40.5173.5-76.1178.6178.8-169.30112.8Y24 V51 A52 R53 L58 K59 Q86Y24-K55 HydrophobicContact CE2-CB 4.04Å; V51-K55 HydrophobicContact CG1-CD 4.47Å; V51-K55 WeakPolarHBondContact O-CG 3.47Å; V51-K55 PolarHBondContact O-N 3.42Å; A52-K55 WeakPolarHBondContact O-CB 3.38Å; A52-K55 PolarHBondContact O-N 3.31Å; R53-K55 VanDerWaalsContact C-N 3.28Å; R53-K55 PolarHBondContact O-N 3Å; K55-L58 PolarHBondContact O-N 3.35Å; K55-K59 WeakPolarHBondContact O-CG 3.08Å; K55-K59 PolarHBondContact O-N 2.94Å; K55-K59 VanDerWaalsContact O-N 3.16Å; K55-Q86 VanDerWaalsContact CG-CD 3.45Å; K55-Q86 HydrophobicContact CG-CG 4.49Å
56C95.9Very high94.1Very high0 Ų048.3 Ų48.30%024%0.238CC..Hα-helixtrans-61.9-48.9174.6-62.80000111Y24 A33 A52 R53 L58 K59 M60Y24-C56 VanDerWaalsContact CD2-SG 3.6Å; A33-C56 HydrophobicContact CB-CB 3.95Å; A52-C56 PolarHBondContact O-N 3.17Å; A52-C56 PolarHBondContact O-SG 2.63Å; A52-C56 VanDerWaalsContact O-SG 3.4Å; R53-C56 WeakPolarHBondContact O-CB 3.45Å; R53-C56 PolarHBondContact O-N 2.88Å; R53-C56 VanDerWaalsContact O-N 3.08Å; C56-L58 VanDerWaalsContact C-N 3.31Å; C56-L58 PolarHBondContact O-N 3.24Å; C56-K59 PolarHBondContact O-N 3.33Å; C56-K59 VanDerWaalsContact O-N 3.13Å; C56-M60 HydrophobicContact CB-CE 4.36Å; C56-M60 WeakPolarHBondContact O-CG 3.48Å; C56-M60 PolarHBondContact O-N 2.75Å
57F96.5Very high94.4Very high23 Ų2348.4 Ų48.410%0.10124%0.238CC..Hα-helixtrans-60.3-40.3178.5-71.4-50.1000112.5A33 R53 S54 K59 M60 G61 D62 R65 D69A33-F57 HydrophobicContact CB-CE1 4.33Å; R53-F57 HydrophobicContact CG-CD2 4.1Å; R53-F57 HydrophobicContact CG-CE2 3.57Å; R53-F57 HydrophobicContact CG-CZ 4.16Å; R53-F57 WeakPolarHBondContact O-CD2 3.3Å; R53-F57 PolarHBondContact O-N 2.9Å; S54-F57 PolarHBondContact O-N 2.97Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-K59 PolarHBondContact O-N 2.96Å; F57-M60 HydrophobicContact CD1-CE 3.35Å; F57-M60 HydrophobicContact CE1-CE 3.79Å; F57-M60 HydrophobicContact CG-CE 4.23Å; F57-M60 PolarHBondContact O-N 2.88Å; F57-M60 VanDerWaalsContact O-N 3.16Å; F57-G61 PolarHBondContact O-N 3.5Å; F57-D62 HydrophobicContact CB-CB 4.18Å; F57-D62 HydrophobicContact CD1-CB 4.09Å; F57-D62 HydrophobicContact CG-CB 4.49Å; F57-D62 PolarHBondContact O-N 3.23Å; F57-R65 HydrophobicContact CD1-CB 4.33Å; F57-R65 HydrophobicContact CD2-CB 3.96Å; F57-R65 HydrophobicContact CE2-CB 4.18Å; F57-R65 HydrophobicContact CG-CB 4.06Å; F57-D69 WeakPolarHBondContact CE2-OD2 3.42Å
58L93.6Very high94.6Very high28 Ų2851.8 Ų51.815%0.14725%0.253CS..Hα-helixtrans-57.9-43.6174.6-170.869.9000112S54 K55 C56 M60 G61 L63 E89 T90 T93S54-L58 WeakPolarHBondContact O-CB 3.46Å; S54-L58 PolarHBondContact O-N 3.28Å; K55-L58 PolarHBondContact O-N 3.35Å; C56-L58 VanDerWaalsContact C-N 3.31Å; C56-L58 PolarHBondContact O-N 3.24Å; L58-M60 VanDerWaalsContact C-N 3.32Å; L58-G61 PolarHBondContact O-N 3.06Å; L58-L63 HydrophobicContact CD1-CD2 3.88Å; L58-E89 HydrophobicContact CD2-CB 4.3Å; L58-T90 HydrophobicContact CD1-CG2 4.29Å; L58-T93 HydrophobicContact CD1-CG2 3.88Å; L58-T93 WeakPolarHBondContact CD1-OG1 3.34Å
59K93Very high94.7Very high125 Ų12549.3 Ų49.354%0.54324%0.24SC..Hα-helixtrans-71-26.4178.4-66.6-64.4179.5-175.80113.4Y24 F29 K55 C56 F57Y24-K59 HydrophobicContact CE2-CG 4.28Å; F29-K59 HydrophobicContact CD1-CB 3.93Å; F29-K59 HydrophobicContact CD1-CG 4.27Å; F29-K59 HydrophobicContact CD2-CB 3.83Å; F29-K59 HydrophobicContact CE1-CB 4.03Å; F29-K59 HydrophobicContact CE1-CG 4Å; F29-K59 HydrophobicContact CE2-CB 3.92Å; F29-K59 HydrophobicContact CE2-CG 4.49Å; F29-K59 HydrophobicContact CG-CB 3.84Å; F29-K59 HydrophobicContact CZ-CB 4.02Å; F29-K59 HydrophobicContact CZ-CG 4.11Å; K55-K59 WeakPolarHBondContact O-CG 3.08Å; K55-K59 PolarHBondContact O-N 2.94Å; K55-K59 VanDerWaalsContact O-N 3.16Å; C56-K59 PolarHBondContact O-N 3.33Å; C56-K59 VanDerWaalsContact O-N 3.13Å; F57-K59 VanDerWaalsContact C-N 3.32Å; F57-K59 PolarHBondContact O-N 2.96Å
60M91.6Very high94.7Very high70 Ų7049.3 Ų49.335%0.34524%0.24SC..Hα-helixtrans-82.1-14.8174.4-66.4-175.8-64.200113.2F29 S30 A33 C56 F57 L58F29-M60 HydrophobicContact CB-CG 3.68Å; F29-M60 HydrophobicContact CB-SD 4.1Å; S30-M60 VanDerWaalsContact CA-SD 3.59Å; A33-M60 HydrophobicContact CB-CE 3.94Å; C56-M60 HydrophobicContact CB-CE 4.36Å; C56-M60 WeakPolarHBondContact O-CG 3.48Å; C56-M60 PolarHBondContact O-N 2.75Å; F57-M60 HydrophobicContact CD1-CE 3.35Å; F57-M60 HydrophobicContact CE1-CE 3.79Å; F57-M60 HydrophobicContact CG-CE 4.23Å; F57-M60 PolarHBondContact O-N 2.88Å; F57-M60 VanDerWaalsContact O-N 3.16Å; L58-M60 VanDerWaalsContact C-N 3.32Å
61G89.8Confident94.7Very high49 Ų4952.3 Ų52.351%0.50525%0.254SS..THydrogen-bonded Turntrans90.63-176.600000114.6F57 L58 L63F57-G61 PolarHBondContact O-N 3.5Å; L58-G61 PolarHBondContact O-N 3.06Å; G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.24Å
62D93.4Very high94.6Very high71 Ų7153.3 Ų53.338%0.3826%0.263SS..  trans-80.573.5177-77.2-23.2000110.9F57 E64 R65 S66F57-D62 HydrophobicContact CB-CB 4.18Å; F57-D62 HydrophobicContact CD1-CB 4.09Å; F57-D62 HydrophobicContact CG-CB 4.49Å; F57-D62 PolarHBondContact O-N 3.23Å; D62-E64 PolarHBondContact O-N 2.98Å; D62-R65 PolarHBondContact O-N 2.94Å; D62-S66 WeakPolarHBondContact O-CB 3.49Å; D62-S66 PolarHBondContact O-N 3.41Å; D62-S66 VanDerWaalsContact O-N 3.12Å
63L93.1Very high94.5Very high45 Ų4552.6 Ų52.624%0.23626%0.256CS..Hα-helixtrans-64.3-39.6-171.8-56.2-175.7000113.4L58 G61 R65 S66 L67 T90 T93 M94L58-L63 HydrophobicContact CD1-CD2 3.88Å; G61-L63 VanDerWaalsContact C-N 3.3Å; G61-L63 PolarHBondContact O-N 3.24Å; L63-R65 PolarHBondContact O-N 2.89Å; L63-S66 WeakPolarHBondContact O-CB 3.32Å; L63-S66 PolarHBondContact O-N 3.29Å; L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 PolarHBondContact O-N 3.2Å; L63-T90 WeakPolarHBondContact O-CG2 3.35Å; L63-T93 WeakPolarHBondContact CD2-OG1 3.49Å; L63-M94 HydrophobicContact CD1-CB 4.11Å; L63-M94 HydrophobicContact CD1-CG 4.39Å
64E95.3Very high94.4Very high139 Ų13951.4 Ų51.465%0.6525%0.253SS*.Hα-helixtrans-63.9-42.3-178.1-64.6-177.1178.800112.8D62 L67 K68D62-E64 PolarHBondContact O-N 2.98Å; E64-L67 PolarHBondContact O-N 2.9Å; E64-K68 WeakPolarHBondContact O-CG 3.39Å; E64-K68 PolarHBondContact O-N 3Å; E64-K68 VanDerWaalsContact O-N 3.15Å
65R94.5Very high94.1Very high147 Ų14759.1 Ų59.156%0.55529%0.289SS*.Hα-helixtrans-70.9-39.9177.4-68.5-178.4-178.6169.8-1.1110.9F57 D62 L63 L67 K68 D69F57-R65 HydrophobicContact CD1-CB 4.33Å; F57-R65 HydrophobicContact CD2-CB 3.96Å; F57-R65 HydrophobicContact CE2-CB 4.18Å; F57-R65 HydrophobicContact CG-CB 4.06Å; D62-R65 PolarHBondContact O-N 2.94Å; L63-R65 PolarHBondContact O-N 2.89Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.44Å; R65-K68 PolarHBondContact O-N 2.93Å; R65-D69 PolarHBondContact O-N 3.33Å
66S95.8Very high93.6Very high0 Ų059.8 Ų59.80%030%0.304CS..Hα-helixtrans-56.6-43.5173.7-177.80000111.7S54 D62 L63 D69 A70 T90S54-S66 PolarHBondContact O-OG 3.42Å; S54-S66 PolarHBondContact OG-O 2.96Å; S54-S66 PolarHBondContact OG-OG 3.45Å; D62-S66 WeakPolarHBondContact O-CB 3.49Å; D62-S66 PolarHBondContact O-N 3.41Å; D62-S66 VanDerWaalsContact O-N 3.12Å; L63-S66 WeakPolarHBondContact O-CB 3.32Å; L63-S66 PolarHBondContact O-N 3.29Å; S66-D69 PolarHBondContact O-N 3.46Å; S66-A70 WeakPolarHBondContact O-CB 3.45Å; S66-A70 PolarHBondContact O-N 2.84Å; S66-T90 PolarHBondContact OG-OG1 3.42Å
67L95.9Very high93.3Very high30 Ų3062.1 Ų62.116%0.15732%0.316CS..Hα-helixtrans-66.9-45-179.9-175.364.3000111.5L63 E64 R65 D69 A70 E71 K87 T90 L91L63-L67 WeakPolarHBondContact O-CB 3.39Å; L63-L67 PolarHBondContact O-N 3.2Å; E64-L67 PolarHBondContact O-N 2.9Å; R65-L67 VanDerWaalsContact C-N 3.29Å; R65-L67 PolarHBondContact O-N 3.44Å; L67-D69 VanDerWaalsContact C-N 3.35Å; L67-D69 PolarHBondContact O-N 3.27Å; L67-A70 PolarHBondContact O-N 2.81Å; L67-E71 HydrophobicContact CD1-CG 4.5Å; L67-E71 WeakPolarHBondContact O-CB 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.19Å; L67-E71 PolarHBondContact O-N 3.3Å; L67-K87 HydrophobicContact CD1-CG 4.13Å; L67-T90 HydrophobicContact CB-CG2 3.99Å; L67-L91 HydrophobicContact CD1-CD2 3.98Å; L67-L91 HydrophobicContact CD1-CG 4.06Å; L67-L91 HydrophobicContact CD2-CD2 4.42Å
68K96Very high93Very high135 Ų13564.5 Ų64.559%0.58733%0.334SS*.Hα-helixtrans-57.8-45.6176.6-73.6174.1-176.7174.30112.1E64 R65 E71 A72E64-K68 WeakPolarHBondContact O-CG 3.39Å; E64-K68 PolarHBondContact O-N 3Å; E64-K68 VanDerWaalsContact O-N 3.15Å; R65-K68 PolarHBondContact O-N 2.93Å; K68-E71 PolarHBondContact O-N 3.16Å; K68-A72 WeakPolarHBondContact O-CB 3.35Å; K68-A72 PolarHBondContact O-N 3.45Å
69D95.2Very high92.9Very high14 Ų1465.7 Ų65.78%0.07535%0.348CS..Hα-helixtrans-66.4-39.5177.8-81.1-7.9000112.2R53 F57 R65 S66 L67 E71 A72 S73R53-D69 IonicContact CZ-OD1 2.78Å; R53-D69 IonicContact CZ-OD2 2.8Å; R53-D69 IonicContact NE-OD1 2.71Å; R53-D69 IonicContact NE-OD2 2.83Å; R53-D69 PolarHBondContact NE-OD2 2.88Å; R53-D69 IonicContact NH2-OD1 2.73Å; R53-D69 PolarHBondContact NH2-OD1 3.43Å; R53-D69 IonicContact NH2-OD2 3.93Å; R53-D69 PolarHBondContact NH2-OD2 3.48Å; F57-D69 WeakPolarHBondContact CE2-OD2 3.42Å; R65-D69 PolarHBondContact O-N 3.33Å; S66-D69 PolarHBondContact O-N 3.46Å; L67-D69 VanDerWaalsContact C-N 3.35Å; L67-D69 PolarHBondContact O-N 3.27Å; D69-E71 VanDerWaalsContact C-N 3.34Å; D69-A72 PolarHBondContact O-N 3.23Å; D69-S73 PolarHBondContact O-N 3.43Å
70A95.2Very high92.9Very high0 Ų060.6 Ų60.60%033%0.326CS..Hα-helixtrans-64.3-40.2175.600000111.4S66 L67 S73 L74 Q86 K87S66-A70 WeakPolarHBondContact O-CB 3.45Å; S66-A70 PolarHBondContact O-N 2.84Å; L67-A70 PolarHBondContact O-N 2.81Å; A70-S73 PolarHBondContact O-N 3.33Å; A70-S73 PolarHBondContact O-OG 2.97Å; A70-L74 WeakPolarHBondContact O-CG 3.46Å; A70-L74 PolarHBondContact O-N 3.13Å; A70-Q86 HydrophobicContact CB-CG 4.32Å; A70-K87 HydrophobicContact CB-CB 3.99Å
71E94.8Very high92.9Very high77 Ų7758.9 Ų58.936%0.3632%0.32SS..Hα-helixtrans-67-44.2175.2-72.2-173.1151.900112.6L67 K68 D69 S73 L74 Q75 K87L67-E71 HydrophobicContact CD1-CG 4.5Å; L67-E71 WeakPolarHBondContact O-CB 3.36Å; L67-E71 WeakPolarHBondContact O-CG 3.19Å; L67-E71 PolarHBondContact O-N 3.3Å; K68-E71 PolarHBondContact O-N 3.16Å; D69-E71 VanDerWaalsContact C-N 3.34Å; E71-S73 VanDerWaalsContact C-N 3.25Å; E71-S73 PolarHBondContact O-N 3.36Å; E71-L74 PolarHBondContact O-N 3.34Å; E71-Q75 WeakPolarHBondContact O-CG 3.29Å; E71-Q75 PolarHBondContact O-N 3.26Å; E71-K87 HydrophobicContact CG-CD 4.13Å; E71-K87 WeakPolarHBondContact OE1-CE 3.48Å; E71-K87 IonicContact OE1-NZ 3.65Å; E71-K87 PolarHBondContact OE1-NZ 3Å
72A94.1Very high93.1Very high28 Ų2862.8 Ų62.823%0.23132%0.323CS..Hα-helixtrans-57.8-39.4174.600000111.6L50 K68 D69 L74 Q75L50-A72 HydrophobicContact CD1-CB 4Å; L50-A72 HydrophobicContact CD2-CB 4.46Å; K68-A72 WeakPolarHBondContact O-CB 3.35Å; K68-A72 PolarHBondContact O-N 3.45Å; D69-A72 PolarHBondContact O-N 3.23Å; A72-L74 PolarHBondContact O-N 2.99Å; A72-Q75 PolarHBondContact O-N 3.09Å
73S94.1Very high93.1Very high1 Ų159.4 Ų59.41%0.00731%0.305CS..Hα-helixtrans-62.2-26.4176.482.50000113.5D69 A70 E71D69-S73 PolarHBondContact O-N 3.43Å; A70-S73 PolarHBondContact O-N 3.33Å; A70-S73 PolarHBondContact O-OG 2.97Å; E71-S73 VanDerWaalsContact C-N 3.25Å; E71-S73 PolarHBondContact O-N 3.36Å
74L92.9Very high93.2Very high22 Ų2257.3 Ų57.312%0.11529%0.294CS..Hα-helixtrans-94.1-15.4-179.2-66.2175.4000113.7A70 E71 A72 S76 D77 F80 I84 K87A70-L74 WeakPolarHBondContact O-CG 3.46Å; A70-L74 PolarHBondContact O-N 3.13Å; E71-L74 PolarHBondContact O-N 3.34Å; A72-L74 PolarHBondContact O-N 2.99Å; L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 2.9Å; L74-D77 CarbonylContact O-C 3.37Å; L74-F80 HydrophobicContact CD2-CB 4.21Å; L74-I84 HydrophobicContact CD1-CG1 4.32Å; L74-I84 HydrophobicContact CD2-CG1 3.68Å; L74-K87 HydrophobicContact CD1-CB 4.25Å; L74-K87 HydrophobicContact CD1-CD 3.82Å
75Q90.9Very high93.2Very high162 Ų16251.2 Ų51.276%0.75727%0.266SS*.Hα-helixtrans-62.5-39.5175.8-74.1178.7-300111.4E71 A72E71-Q75 WeakPolarHBondContact O-CG 3.29Å; E71-Q75 PolarHBondContact O-N 3.26Å; A72-Q75 PolarHBondContact O-N 3.09Å
76S84.6Confident93.3Very high90 Ų9044.2 Ų44.263%0.62924%0.239SC*.Hα-helixtrans-76.1-40.9178.6-62.70000112.7L74L74-S76 VanDerWaalsContact C-N 3.29Å; L74-S76 PolarHBondContact O-N 2.9Å
77D88.7Confident93.3Very high48 Ų4845.5 Ų45.526%0.25725%0.245SC..  trans-139.196.1-177177.92.4000110.6K47 L74 A79 F80K47-D77 HydrophobicContact CD-CB 4.46Å; K47-D77 IonicContact NZ-OD2 2.86Å; K47-D77 PolarHBondContact NZ-OD2 3.03Å; L74-D77 CarbonylContact O-C 3.37Å; D77-A79 PolarHBondContact O-N 3.32Å; D77-A79 VanDerWaalsContact O-N 3.13Å; D77-A79 PolarHBondContact OD1-N 3.26Å; D77-F80 HydrophobicContact CB-CB 4.01Å; D77-F80 VanDerWaalsContact O-CB 3.22Å; D77-F80 WeakPolarHBondContact O-CB 3.46Å; D77-F80 PolarHBondContact O-N 3.47Å; D77-F80 VanDerWaalsContact O-N 3.1Å; D77-F80 PolarHBondContact OD1-N 3.4Å
78P90.3Very high93.3Very high74 Ų7444 Ų4448%0.48124%0.237SC..THydrogen-bonded Turntrans-67-9.7-179.5-23.534.5000115.2R106P78-R106 PolarHBondContact O-NH2 2.99Å; P78-R106 VanDerWaalsContact O-NH2 3.08Å
79A91.1Very high93.3Very high52 Ų5240.7 Ų40.743%0.4322%0.224SC..THydrogen-bonded Turntrans-102.13.7177.100000112.4D77 C81 L110D77-A79 PolarHBondContact O-N 3.32Å; D77-A79 VanDerWaalsContact O-N 3.13Å; D77-A79 PolarHBondContact OD1-N 3.26Å; A79-C81 PolarHBondContact O-N 2.96Å; A79-L110 HydrophobicContact CB-CD1 4.37Å
80F93.6Very high93.3Very high19 Ų1940 Ų408%0.08322%0.22CC..  trans-66.6102.7-178.9-177.7-133.7000112K47 N48 V51 L74 D77 K82 G83 I84K47-F80 HydrophobicContact CB-CD1 4.16Å; K47-F80 HydrophobicContact CB-CE1 3.88Å; K47-F80 HydrophobicContact CB-CZ 4.34Å; K47-F80 HydrophobicContact CD-CD1 4.06Å; K47-F80 HydrophobicContact CD-CD2 3.88Å; K47-F80 HydrophobicContact CD-CE1 4.13Å; K47-F80 HydrophobicContact CD-CE2 3.97Å; K47-F80 HydrophobicContact CD-CG 3.94Å; K47-F80 HydrophobicContact CD-CZ 4.08Å; K47-F80 HydrophobicContact CG-CD1 4.28Å; K47-F80 HydrophobicContact CG-CE1 3.89Å; K47-F80 HydrophobicContact CG-CE2 4.2Å; K47-F80 HydrophobicContact CG-CZ 3.85Å; N48-F80 WeakPolarHBondContact OD1-CZ 3.35Å; V51-F80 HydrophobicContact CG2-CD1 4.48Å; V51-F80 HydrophobicContact CG2-CE1 3.65Å; V51-F80 HydrophobicContact CG2-CZ 4.46Å; L74-F80 HydrophobicContact CD2-CB 4.21Å; D77-F80 HydrophobicContact CB-CB 4.01Å; D77-F80 VanDerWaalsContact O-CB 3.22Å; D77-F80 WeakPolarHBondContact O-CB 3.46Å; D77-F80 PolarHBondContact O-N 3.47Å; D77-F80 VanDerWaalsContact O-N 3.1Å; D77-F80 PolarHBondContact OD1-N 3.4Å; F80-K82 HydrophobicContact CE1-CB 4.04Å; F80-K82 HydrophobicContact CE2-CB 3.97Å; F80-K82 HydrophobicContact CE2-CD 4.38Å; F80-K82 HydrophobicContact CE2-CG 4.39Å; F80-K82 HydrophobicContact CZ-CB 3.64Å; F80-K82 HydrophobicContact CZ-CD 4.24Å; F80-K82 HydrophobicContact CZ-CG 4.38Å; F80-K82 PolarHBondContact O-N 2.95Å; F80-G83 VanDerWaalsContact CD1-N 3.33Å; F80-G83 PolarHBondContact O-N 2.87Å; F80-G83 VanDerWaalsContact O-N 3.16Å; F80-I84 WeakPolarHBondContact O-CG1 3.36Å; F80-I84 PolarHBondContact O-N 3.45Å
81C92.4Very high93.3Very high34 Ų3440.6 Ų40.623%0.2322%0.223CC..Hα-helixtrans-58.8-42.9-172.6-65.80000113.3A79 G83 I84 L85 F116A79-C81 PolarHBondContact O-N 2.96Å; C81-G83 VanDerWaalsContact C-N 3.33Å; C81-G83 PolarHBondContact O-N 2.73Å; C81-I84 PolarHBondContact O-N 3.14Å; C81-L85 WeakPolarHBondContact O-CB 3.33Å; C81-L85 PolarHBondContact O-N 3.21Å; C81-F116 HydrophobicContact CB-CE2 4.49Å
82K92.1Very high93.2Very high130 Ų13040.2 Ų40.257%0.56522%0.219SC*.Hα-helixtrans-64.4-37.2179.5-67.9-178.9177.3-179.70112.1F80 Q86F80-K82 HydrophobicContact CE1-CB 4.04Å; F80-K82 HydrophobicContact CE2-CB 3.97Å; F80-K82 HydrophobicContact CE2-CD 4.38Å; F80-K82 HydrophobicContact CE2-CG 4.39Å; F80-K82 HydrophobicContact CZ-CB 3.64Å; F80-K82 HydrophobicContact CZ-CD 4.24Å; F80-K82 HydrophobicContact CZ-CG 4.38Å; F80-K82 PolarHBondContact O-N 2.95Å; K82-Q86 WeakPolarHBondContact O-CB 3.23Å; K82-Q86 PolarHBondContact O-N 3.3Å
83G94Very high93.2Very high0 Ų042.2 Ų42.20%023%0.229CC..Hα-helixtrans-69.1-40.6175.500000112.5F80 C81 L85 Q86 K87F80-G83 VanDerWaalsContact CD1-N 3.33Å; F80-G83 PolarHBondContact O-N 2.87Å; F80-G83 VanDerWaalsContact O-N 3.16Å; C81-G83 VanDerWaalsContact C-N 3.33Å; C81-G83 PolarHBondContact O-N 2.73Å; G83-L85 VanDerWaalsContact C-N 3.34Å; G83-Q86 PolarHBondContact O-N 3.22Å; G83-K87 WeakPolarHBondContact O-CB 3.42Å; G83-K87 PolarHBondContact O-N 2.9Å
84I95.6Very high93.1Very high1 Ų146.3 Ų46.31%0.00525%0.248CC..Hα-helixtrans-63.4-44176.6-65.3170.7000110.2L74 F80 C81 K87 A88 F103 L110 F116L74-I84 HydrophobicContact CD1-CG1 4.32Å; L74-I84 HydrophobicContact CD2-CG1 3.68Å; F80-I84 WeakPolarHBondContact O-CG1 3.36Å; F80-I84 PolarHBondContact O-N 3.45Å; C81-I84 PolarHBondContact O-N 3.14Å; I84-K87 PolarHBondContact O-N 3.33Å; I84-A88 WeakPolarHBondContact O-CB 3.36Å; I84-A88 PolarHBondContact O-N 3.42Å; I84-F103 HydrophobicContact CG2-CB 4.38Å; I84-F103 HydrophobicContact CG2-CD1 4.47Å; I84-F103 VanDerWaalsContact CG2-O 3.28Å; I84-F103 WeakPolarHBondContact CG2-O 3.2Å; I84-L110 HydrophobicContact CD1-CD1 3.44Å; I84-L110 VanDerWaalsContact CD1-CD1 3.44Å; I84-F116 HydrophobicContact CG2-CE1 4.25Å
85L95.5Very high92.9Very high11 Ų1146.7 Ų46.76%0.05826%0.258CS..Hα-helixtrans-61-49.6176.2-175.972.7000111C81 G83 K87 A88 E89 Y104 E115 F116C81-L85 WeakPolarHBondContact O-CB 3.33Å; C81-L85 PolarHBondContact O-N 3.21Å; G83-L85 VanDerWaalsContact C-N 3.34Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 3.1Å; L85-A88 PolarHBondContact O-N 3.45Å; L85-A88 VanDerWaalsContact O-N 3.13Å; L85-E89 WeakPolarHBondContact O-CG 3.34Å; L85-E89 PolarHBondContact O-N 3.46Å; L85-Y104 HydrophobicContact CD1-CD1 4.27Å; L85-Y104 HydrophobicContact CD1-CE1 3.97Å; L85-E115 HydrophobicContact CD1-CB 3.98Å; L85-E115 HydrophobicContact CD2-CB 4.02Å; L85-E115 WeakPolarHBondContact CD2-OE2 3.32Å; L85-F116 HydrophobicContact CB-CE1 3.8Å; L85-F116 HydrophobicContact CB-CZ 3.84Å; L85-F116 HydrophobicContact CD1-CD1 3.84Å; L85-F116 HydrophobicContact CD1-CE1 3.71Å; L85-F116 HydrophobicContact CD1-CG 4.43Å; L85-F116 HydrophobicContact CD1-CZ 4.23Å; L85-F116 HydrophobicContact CG-CE1 4.38Å
86Q96.1Very high92.9Very high0 Ų041.9 Ų41.90%024%0.237CC..Hα-helixtrans-59.9-42.7179.8-171.258.337.100111.8V51 S54 K55 A70 K82 G83 A88 E89 T90V51-Q86 HydrophobicContact CG1-CB 4.13Å; V51-Q86 HydrophobicContact CG1-CG 4.29Å; V51-Q86 HydrophobicContact CG2-CB 4.49Å; S54-Q86 VanDerWaalsContact OG-CG 3.28Å; S54-Q86 WeakPolarHBondContact OG-CG 3.5Å; K55-Q86 VanDerWaalsContact CG-CD 3.45Å; K55-Q86 HydrophobicContact CG-CG 4.49Å; A70-Q86 HydrophobicContact CB-CG 4.32Å; K82-Q86 WeakPolarHBondContact O-CB 3.23Å; K82-Q86 PolarHBondContact O-N 3.3Å; G83-Q86 PolarHBondContact O-N 3.22Å; Q86-A88 PolarHBondContact O-N 2.8Å; Q86-E89 PolarHBondContact O-N 3.4Å; Q86-T90 PolarHBondContact O-N 3.06Å; Q86-T90 PolarHBondContact O-OG1 3.47Å; Q86-T90 VanDerWaalsContact O-OG1 3.05Å
87K96.3Very high93.2Very high27 Ų2739.8 Ų39.812%0.11722%0.217CC..Hα-helixtrans-60.9-44.5175.3-176.4170-175.5166.90111.7L67 A70 E71 L74 G83 I84 L85 E89 T90 L91 F103L67-K87 HydrophobicContact CD1-CG 4.13Å; A70-K87 HydrophobicContact CB-CB 3.99Å; E71-K87 HydrophobicContact CG-CD 4.13Å; E71-K87 WeakPolarHBondContact OE1-CE 3.48Å; E71-K87 IonicContact OE1-NZ 3.65Å; E71-K87 PolarHBondContact OE1-NZ 3Å; L74-K87 HydrophobicContact CD1-CB 4.25Å; L74-K87 HydrophobicContact CD1-CD 3.82Å; G83-K87 WeakPolarHBondContact O-CB 3.42Å; G83-K87 PolarHBondContact O-N 2.9Å; I84-K87 PolarHBondContact O-N 3.33Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 3.1Å; K87-E89 VanDerWaalsContact C-N 3.35Å; K87-T90 PolarHBondContact O-N 3.44Å; K87-L91 HydrophobicContact CG-CD1 3.98Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3.42Å; K87-L91 PolarHBondContact O-N 3.01Å; K87-F103 HydrophobicContact CD-CD1 4.41Å; K87-F103 HydrophobicContact CD-CE1 4.09Å; K87-F103 HydrophobicContact CD-CE2 4.29Å; K87-F103 HydrophobicContact CD-CZ 4.05Å
88A95.9Very high93.3Very high0 Ų042.4 Ų42.40%023%0.228CC..Hα-helixtrans-64.5-39178.400000112.1I84 L85 Q86 Y92 A100 F103 Y104I84-A88 WeakPolarHBondContact O-CB 3.36Å; I84-A88 PolarHBondContact O-N 3.42Å; L85-A88 PolarHBondContact O-N 3.45Å; L85-A88 VanDerWaalsContact O-N 3.13Å; Q86-A88 PolarHBondContact O-N 2.8Å; A88-Y92 VanDerWaalsContact O-CB 3.29Å; A88-Y92 WeakPolarHBondContact O-CB 3.39Å; A88-Y92 PolarHBondContact O-N 3.18Å; A88-A100 WeakPolarHBondContact O-CB 3.3Å; A88-F103 HydrophobicContact CB-CB 3.82Å; A88-Y104 HydrophobicContact CB-CD1 3.55Å; A88-Y104 HydrophobicContact CB-CD2 4.05Å; A88-Y104 HydrophobicContact CB-CE1 3.47Å; A88-Y104 VanDerWaalsContact CB-CE1 3.47Å; A88-Y104 HydrophobicContact CB-CE2 3.97Å; A88-Y104 HydrophobicContact CB-CG 3.83Å
89E94.9Very high93.4Very high65 Ų6545.1 Ų45.130%0.30423%0.232SC..Hα-helixtrans-64.8-46.2174.8-73.4-175.7167.100111.9L58 L85 Q86 K87 Y92 T93 Y104L58-E89 HydrophobicContact CD2-CB 4.3Å; L85-E89 WeakPolarHBondContact O-CG 3.34Å; L85-E89 PolarHBondContact O-N 3.46Å; Q86-E89 PolarHBondContact O-N 3.4Å; K87-E89 VanDerWaalsContact C-N 3.35Å; E89-Y92 WeakPolarHBondContact O-CB 3.12Å; E89-Y92 PolarHBondContact O-N 2.94Å; E89-T93 WeakPolarHBondContact O-CG2 3.33Å; E89-T93 PolarHBondContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 3.37Å; E89-Y104 WeakPolarHBondContact CA-OH 3.49Å; E89-Y104 HydrophobicContact CG-CE1 4.44Å
90T95.6Very high93.5Very high0 Ų042.6 Ų42.60%021%0.212CC..Hα-helixtrans-62.3-45.1177.6-55.90000111.7L58 L63 S66 L67 Q86 K87 Y92 T93 M94L58-T90 HydrophobicContact CD1-CG2 4.29Å; L63-T90 WeakPolarHBondContact O-CG2 3.35Å; S66-T90 PolarHBondContact OG-OG1 3.42Å; L67-T90 HydrophobicContact CB-CG2 3.99Å; Q86-T90 PolarHBondContact O-N 3.06Å; Q86-T90 PolarHBondContact O-OG1 3.47Å; Q86-T90 VanDerWaalsContact O-OG1 3.05Å; K87-T90 PolarHBondContact O-N 3.44Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 3.05Å; T90-T93 WeakPolarHBondContact CA-OG1 3.48Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 PolarHBondContact O-OG1 2.95Å; T90-M94 WeakPolarHBondContact O-CB 3.47Å; T90-M94 PolarHBondContact O-N 3.45Å
91L94.6Very high93.6Very high11 Ų1142.9 Ų42.96%0.05821%0.214CC..Hα-helixtrans-61.8-40.7175.5-72.5168.4000111.9L67 K87 T93 M94 G95 D96 F99 A100 F103L67-L91 HydrophobicContact CD1-CD2 3.98Å; L67-L91 HydrophobicContact CD1-CG 4.06Å; L67-L91 HydrophobicContact CD2-CD2 4.42Å; K87-L91 HydrophobicContact CG-CD1 3.98Å; K87-L91 WeakPolarHBondContact O-CB 3.48Å; K87-L91 VanDerWaalsContact O-CG 3.3Å; K87-L91 WeakPolarHBondContact O-CG 3.42Å; K87-L91 PolarHBondContact O-N 3.01Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 3.3Å; L91-M94 WeakPolarHBondContact O-CB 3.37Å; L91-M94 PolarHBondContact O-N 3.37Å; L91-G95 PolarHBondContact O-N 2.9Å; L91-D96 HydrophobicContact CD2-CB 4.31Å; L91-D96 PolarHBondContact O-N 3.33Å; L91-D96 VanDerWaalsContact O-N 3.08Å; L91-F99 HydrophobicContact CD1-CB 4.11Å; L91-A100 HydrophobicContact CB-CB 3.99Å; L91-F103 HydrophobicContact CD1-CD2 3.54Å; L91-F103 HydrophobicContact CD1-CE2 3.81Å
92Y94.4Very high93.7Very high70 Ų7045.6 Ų45.628%0.27523%0.229SC..Hα-helixtrans-61.2-43.8175.9-179.6-88.1000111.5A88 E89 T90 M94 G95 F97 K122 A123 A126A88-Y92 VanDerWaalsContact O-CB 3.29Å; A88-Y92 WeakPolarHBondContact O-CB 3.39Å; A88-Y92 PolarHBondContact O-N 3.18Å; E89-Y92 WeakPolarHBondContact O-CB 3.12Å; E89-Y92 PolarHBondContact O-N 2.94Å; T90-Y92 VanDerWaalsContact C-N 3.33Å; T90-Y92 PolarHBondContact O-N 3.05Å; Y92-M94 VanDerWaalsContact C-N 3.28Å; Y92-M94 PolarHBondContact O-N 2.96Å; Y92-G95 PolarHBondContact O-N 2.8Å; Y92-F97 AromaticContact CD2-CD1 3.78Å; Y92-F97 HydrophobicContact CD2-CD1 3.78Å; Y92-F97 HydrophobicContact CD2-CE1 4.21Å; Y92-F97 AromaticContact CE2-CD1 3.86Å; Y92-F97 HydrophobicContact CE2-CD1 3.86Å; Y92-F97 HydrophobicContact CE2-CE1 4.07Å; Y92-F97 HydrophobicContact CG-CD1 4.45Å; Y92-F97 WeakPolarHBondContact O-CE1 3.49Å; Y92-K122 HydrophobicContact CE2-CB 3.99Å; Y92-A123 HydrophobicContact CD2-CB 4.19Å; Y92-A123 HydrophobicContact CE2-CB 4.39Å; Y92-A126 HydrophobicContact CE2-CB 4.13Å
93T92.6Very high93.8Very high70 Ų7041.1 Ų41.143%0.42921%0.21SC..Hα-helixtrans-69.5-25.6176.754.70000113.6L58 L63 E89 T90 L91 G95L58-T93 HydrophobicContact CD1-CG2 3.88Å; L58-T93 WeakPolarHBondContact CD1-OG1 3.34Å; L63-T93 WeakPolarHBondContact CD2-OG1 3.49Å; E89-T93 WeakPolarHBondContact O-CG2 3.33Å; E89-T93 PolarHBondContact O-N 3.13Å; E89-T93 PolarHBondContact O-OG1 3.37Å; T90-T93 WeakPolarHBondContact CA-OG1 3.48Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 PolarHBondContact O-OG1 2.95Å; L91-T93 VanDerWaalsContact C-N 3.35Å; L91-T93 PolarHBondContact O-N 3.3Å; T93-G95 PolarHBondContact O-N 3.38Å
94M91.8Very high93.9Very high86 Ų8641.5 Ų41.542%0.42421%0.211SC..Hα-helixtrans-73.7-18.6174.4-165.6162.4177.200112.5L63 T90 L91 Y92L63-M94 HydrophobicContact CD1-CB 4.11Å; L63-M94 HydrophobicContact CD1-CG 4.39Å; T90-M94 WeakPolarHBondContact O-CB 3.47Å; T90-M94 PolarHBondContact O-N 3.45Å; L91-M94 WeakPolarHBondContact O-CB 3.37Å; L91-M94 PolarHBondContact O-N 3.37Å; Y92-M94 VanDerWaalsContact C-N 3.28Å; Y92-M94 PolarHBondContact O-N 2.96Å
95G89.3Confident93.9Very high31 Ų3145.8 Ų45.832%0.3223%0.231SC..THydrogen-bonded Turntrans97.40.8-178.500000113.9L91 Y92 T93 F97L91-G95 PolarHBondContact O-N 2.9Å; Y92-G95 PolarHBondContact O-N 2.8Å; T93-G95 PolarHBondContact O-N 3.38Å; G95-F97 WeakPolarHBondContact O-CD2 3.3Å; G95-F97 PolarHBondContact O-N 2.96Å
96D91.5Very high93.8Very high60 Ų6050.8 Ų50.832%0.32125%0.249SC..  trans-82.965.9178.4-68.3-29.7000110.3L91 E98 F99 A100L91-D96 HydrophobicContact CD2-CB 4.31Å; L91-D96 PolarHBondContact O-N 3.33Å; L91-D96 VanDerWaalsContact O-N 3.08Å; D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 3.46Å; D96-F99 HydrophobicContact CB-CB 4.45Å; D96-F99 HydrophobicContact CB-CD2 4.24Å; D96-F99 PolarHBondContact O-N 3.48Å; D96-A100 WeakPolarHBondContact O-CB 3.16Å; D96-A100 PolarHBondContact O-N 2.87Å
97F91.6Very high93.6Very high47 Ų4750.8 Ų50.821%0.20625%0.249CC..Hα-helixtrans-63.6-32.9-169.9-53.8-56.3000113.3Y92 G95 L101 A126 I127Y92-F97 AromaticContact CD2-CD1 3.78Å; Y92-F97 HydrophobicContact CD2-CD1 3.78Å; Y92-F97 HydrophobicContact CD2-CE1 4.21Å; Y92-F97 AromaticContact CE2-CD1 3.86Å; Y92-F97 HydrophobicContact CE2-CD1 3.86Å; Y92-F97 HydrophobicContact CE2-CE1 4.07Å; Y92-F97 HydrophobicContact CG-CD1 4.45Å; Y92-F97 WeakPolarHBondContact O-CE1 3.49Å; G95-F97 WeakPolarHBondContact O-CD2 3.3Å; G95-F97 PolarHBondContact O-N 2.96Å; F97-L101 VanDerWaalsContact O-CB 3.29Å; F97-L101 WeakPolarHBondContact O-CB 3.43Å; F97-L101 PolarHBondContact O-N 3.49Å; F97-A126 HydrophobicContact CD1-CB 3.78Å; F97-A126 HydrophobicContact CD2-CB 4.11Å; F97-A126 HydrophobicContact CE1-CB 3.92Å; F97-A126 HydrophobicContact CE2-CB 4.23Å; F97-A126 HydrophobicContact CG-CB 3.88Å; F97-A126 HydrophobicContact CZ-CB 4.14Å; F97-I127 HydrophobicContact CB-CD1 4.15Å; F97-I127 HydrophobicContact CB-CG1 3.58Å
98E90.4Very high93.5Very high102 Ų10252.9 Ų52.948%0.47726%0.257SS..Hα-helixtrans-66.1-48.3179.3-55.981.7178.500110.6D96 L101 V102 I127D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 3.46Å; E98-L101 PolarHBondContact O-N 3.04Å; E98-V102 WeakPolarHBondContact O-CG2 3.37Å; E98-V102 PolarHBondContact O-N 2.65Å; E98-V102 VanDerWaalsContact O-N 3.11Å; E98-I127 HydrophobicContact CG-CD1 4.46Å
99F92.6Very high93.3Very high131 Ų13161.9 Ų61.958%0.57530%0.296SS*.Hα-helixtrans-66.7-42.2177.1-69.6-73.9000111L91 D96 L101 V102 F103L91-F99 HydrophobicContact CD1-CB 4.11Å; D96-F99 HydrophobicContact CB-CB 4.45Å; D96-F99 HydrophobicContact CB-CD2 4.24Å; D96-F99 PolarHBondContact O-N 3.48Å; F99-L101 VanDerWaalsContact C-N 3.31Å; F99-L101 PolarHBondContact O-N 3.3Å; F99-V102 PolarHBondContact O-N 3.02Å; F99-F103 WeakPolarHBondContact O-CD2 3.36Å; F99-F103 PolarHBondContact O-N 3.48Å; F99-F103 VanDerWaalsContact O-N 3.09Å
100A93.3Very high93.2Very high0 Ų063 Ų630%030%0.303CS..Hα-helixtrans-56.2-46.2174.400000111.6A88 L91 D96 V102 F103 Y104A88-A100 WeakPolarHBondContact O-CB 3.3Å; L91-A100 HydrophobicContact CB-CB 3.99Å; D96-A100 WeakPolarHBondContact O-CB 3.16Å; D96-A100 PolarHBondContact O-N 2.87Å; A100-V102 PolarHBondContact O-N 3.21Å; A100-F103 PolarHBondContact O-N 2.95Å; A100-Y104 HydrophobicContact CB-CD2 4.43Å; A100-Y104 HydrophobicContact CB-CE2 4.12Å; A100-Y104 WeakPolarHBondContact O-CD2 3.39Å; A100-Y104 PolarHBondContact O-N 3Å
101L94.4Very high92.8Very high24 Ų2470.2 Ų70.213%0.12633%0.331CS..Hα-helixtrans-59.7-43.6178.4-177.162000112.1F97 E98 F99 F103 Y104 H105 I120 A123 I127F97-L101 VanDerWaalsContact O-CB 3.29Å; F97-L101 WeakPolarHBondContact O-CB 3.43Å; F97-L101 PolarHBondContact O-N 3.49Å; E98-L101 PolarHBondContact O-N 3.04Å; F99-L101 VanDerWaalsContact C-N 3.31Å; F99-L101 PolarHBondContact O-N 3.3Å; L101-F103 PolarHBondContact O-N 2.84Å; L101-Y104 PolarHBondContact O-N 3.39Å; L101-H105 PolarHBondContact O-CD2 3.32Å; L101-H105 PolarHBondContact O-N 2.94Å; L101-I120 HydrophobicContact CD1-CB 4.36Å; L101-I120 HydrophobicContact CD1-CG1 4.49Å; L101-I120 HydrophobicContact CD1-CG2 4Å; L101-A123 HydrophobicContact CB-CB 3.97Å; L101-A123 HydrophobicContact CD1-CB 4.05Å; L101-I127 HydrophobicContact CB-CD1 4.32Å; L101-I127 HydrophobicContact CD2-CD1 3.75Å
102V94.7Very high92.5Very high92 Ų9274.4 Ų74.456%0.55836%0.359SS*.Hα-helixtrans-59.2-46.7176.3171.70000111.1E98 F99 A100 H105 R106E98-V102 WeakPolarHBondContact O-CG2 3.37Å; E98-V102 PolarHBondContact O-N 2.65Å; E98-V102 VanDerWaalsContact O-N 3.11Å; F99-V102 PolarHBondContact O-N 3.02Å; A100-V102 PolarHBondContact O-N 3.21Å; V102-H105 PolarHBondContact O-N 3.47Å; V102-R106 WeakPolarHBondContact O-CB 3.42Å; V102-R106 PolarHBondContact O-N 2.88Å
103F94.3Very high92.3Very high35 Ų3573.6 Ų73.615%0.15436%0.359CS..Hα-helixtrans-69.1-36179.6-76.8-73.1000112.6I84 K87 A88 L91 F99 A100 L101 R106 G107I84-F103 HydrophobicContact CG2-CB 4.38Å; I84-F103 HydrophobicContact CG2-CD1 4.47Å; I84-F103 VanDerWaalsContact CG2-O 3.28Å; I84-F103 WeakPolarHBondContact CG2-O 3.2Å; K87-F103 HydrophobicContact CD-CD1 4.41Å; K87-F103 HydrophobicContact CD-CE1 4.09Å; K87-F103 HydrophobicContact CD-CE2 4.29Å; K87-F103 HydrophobicContact CD-CZ 4.05Å; A88-F103 HydrophobicContact CB-CB 3.82Å; L91-F103 HydrophobicContact CD1-CD2 3.54Å; L91-F103 HydrophobicContact CD1-CE2 3.81Å; F99-F103 WeakPolarHBondContact O-CD2 3.36Å; F99-F103 PolarHBondContact O-N 3.48Å; F99-F103 VanDerWaalsContact O-N 3.09Å; A100-F103 PolarHBondContact O-N 2.95Å; L101-F103 PolarHBondContact O-N 2.84Å; F103-R106 PolarHBondContact O-N 3.43Å; F103-G107 PolarHBondContact O-N 3.32Å
104Y95.9Very high92.2Very high9 Ų979.8 Ų79.84%0.03538%0.375CS..Hα-helixtrans-62.8-43173.3-71.6-59000112.2L85 A88 E89 A100 L101 G107 Y108 F116 A123L85-Y104 HydrophobicContact CD1-CD1 4.27Å; L85-Y104 HydrophobicContact CD1-CE1 3.97Å; A88-Y104 HydrophobicContact CB-CD1 3.55Å; A88-Y104 HydrophobicContact CB-CD2 4.05Å; A88-Y104 HydrophobicContact CB-CE1 3.47Å; A88-Y104 VanDerWaalsContact CB-CE1 3.47Å; A88-Y104 HydrophobicContact CB-CE2 3.97Å; A88-Y104 HydrophobicContact CB-CG 3.83Å; E89-Y104 WeakPolarHBondContact CA-OH 3.49Å; E89-Y104 HydrophobicContact CG-CE1 4.44Å; A100-Y104 HydrophobicContact CB-CD2 4.43Å; A100-Y104 HydrophobicContact CB-CE2 4.12Å; A100-Y104 WeakPolarHBondContact O-CD2 3.39Å; A100-Y104 PolarHBondContact O-N 3Å; L101-Y104 PolarHBondContact O-N 3.39Å; Y104-G107 PolarHBondContact O-N 2.91Å; Y104-Y108 WeakPolarHBondContact O-CB 3.44Å; Y104-Y108 PolarHBondContact O-N 2.62Å; Y104-F116 HydrophobicContact CD1-CD1 4.07Å; Y104-A123 HydrophobicContact CD2-CB 4.28Å; Y104-A123 HydrophobicContact CE2-CB 4.39Å
105H95.2Very high92.1Very high91 Ų9181 Ų8142%0.42138%0.379SS..Hα-helixtrans-65.8-39.5174.6-83.9-68.4000112.8L101 V102 Y108 K109L101-H105 PolarHBondContact O-CD2 3.32Å; L101-H105 PolarHBondContact O-N 2.94Å; V102-H105 PolarHBondContact O-N 3.47Å; H105-Y108 PolarHBondContact O-N 2.82Å; H105-K109 PolarHBondContact O-N 3.16Å
106R93.4Very high92.3Very high116 Ų11679.6 Ų79.644%0.43836%0.364SS..Hα-helixtrans-60.2-46.5174.9-179.4177.5169.7171.6-4.9111.1P78 V102 F103 K109 L110P78-R106 PolarHBondContact O-NH2 2.99Å; P78-R106 VanDerWaalsContact O-NH2 3.08Å; V102-R106 WeakPolarHBondContact O-CB 3.42Å; V102-R106 PolarHBondContact O-N 2.88Å; F103-R106 PolarHBondContact O-N 3.43Å; R106-K109 PolarHBondContact O-N 2.98Å; R106-L110 PolarHBondContact O-N 3.31Å
107G92.8Very high92.4Very high0 Ų084.1 Ų84.10%038%0.377CS..Hα-helixtrans-63-43.9175.500000112.5F103 Y104 K109 L110 R111F103-G107 PolarHBondContact O-N 3.32Å; Y104-G107 PolarHBondContact O-N 2.91Å; G107-K109 VanDerWaalsContact C-N 3.29Å; G107-K109 PolarHBondContact O-N 2.94Å; G107-L110 PolarHBondContact O-N 3.33Å; G107-L110 VanDerWaalsContact O-N 3.09Å; G107-R111 PolarHBondContact O-N 3.42Å
108Y94.3Very high92.5Very high71 Ų7184.5 Ų84.528%0.27838%0.383SS..Hα-helixtrans-60.1-36.9177-168.9-101.9000113.1Y104 H105 L110 R111 P112 F116 R117 I120Y104-Y108 WeakPolarHBondContact O-CB 3.44Å; Y104-Y108 PolarHBondContact O-N 2.62Å; H105-Y108 PolarHBondContact O-N 2.82Å; Y108-L110 VanDerWaalsContact C-N 3.33Å; Y108-R111 CarbonylContact O-C 3.08Å; Y108-R111 VanDerWaalsContact O-C 3.27Å; Y108-P112 HydrophobicContact CE2-CB 4.05Å; Y108-F116 HydrophobicContact CD2-CB 3.93Å; Y108-F116 HydrophobicContact CG-CB 4.48Å; Y108-R117 HydrophobicContact CE2-CB 4.29Å; Y108-R117 PolarHBondContact OH-NH2 3.15Å; Y108-I120 HydrophobicContact CD2-CD1 4.42Å; Y108-I120 HydrophobicContact CG-CD1 4.11Å
109K92.8Very high92.6Very high188 Ų18879.8 Ų79.882%0.81736%0.362SS*.Hα-helixtrans-66.8-34.4176.3-172176.9-179.1-179.90112.4H105 R106 G107H105-K109 PolarHBondContact O-N 3.16Å; R106-K109 PolarHBondContact O-N 2.98Å; G107-K109 VanDerWaalsContact C-N 3.29Å; G107-K109 PolarHBondContact O-N 2.94Å
110L90.9Very high92.7Very high88 Ų8874.9 Ų74.946%0.46134%0.341SS..Hα-helixtrans-76-47.9176.9-66.6171.8000111.2A79 I84 R106 G107 Y108A79-L110 HydrophobicContact CB-CD1 4.37Å; I84-L110 HydrophobicContact CD1-CD1 3.44Å; I84-L110 VanDerWaalsContact CD1-CD1 3.44Å; R106-L110 PolarHBondContact O-N 3.31Å; G107-L110 PolarHBondContact O-N 3.33Å; G107-L110 VanDerWaalsContact O-N 3.09Å; Y108-L110 VanDerWaalsContact C-N 3.33Å
111R87.6Confident92.7Very high152 Ų15280.4 Ų80.457%0.57437%0.367SS*.SBendtrans-141.2113.9177.5-174.9176.5176164-1.6109.6G107 Y108 D113G107-R111 PolarHBondContact O-N 3.42Å; Y108-R111 CarbonylContact O-C 3.08Å; Y108-R111 VanDerWaalsContact O-C 3.27Å; R111-D113 VanDerWaalsContact C-N 3.33Å; R111-D113 PolarHBondContact O-N 3.1Å
112P89.1Confident92.6Very high100 Ų10084.3 Ų84.365%0.64938%0.383SS*.  trans-67.791.3173.4-1932000110.1Y108Y108-P112 HydrophobicContact CE2-CB 4.05Å
113D89.5Confident92.5Very high52 Ų5279.9 Ų79.928%0.27836%0.356SS..  trans-108.9154.7177.8-148.3-26.9000111.4R111 E115 F116 R117R111-D113 VanDerWaalsContact C-N 3.33Å; R111-D113 PolarHBondContact O-N 3.1Å; D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.99Å; D113-F116 HydrophobicContact CB-CD2 3.66Å; D113-F116 HydrophobicContact CB-CE2 4.27Å; D113-F116 PolarHBondContact O-N 3.46Å; D113-R117 PolarHBondContact O-N 3.07Å
114R90.9Very high92.3Very high201 Ų20181.7 Ų81.776%0.75837%0.365SS*.Hα-helixtrans-61.9-39.1175.4-176.5-177.6175.7-151.3-0.6110.9F116 R117 V118R114-F116 PolarHBondContact O-N 2.93Å; R114-R117 PolarHBondContact O-N 3.42Å; R114-V118 HydrophobicContact CG-CG2 4.37Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 3.15Å
115E90.4Very high92Very high110 Ų11085.7 Ų85.751%0.51438%0.384SS..Hα-helixtrans-60.6-46-179-64.1-179.8157.200111.3L85 D113 R117 V118 G119L85-E115 HydrophobicContact CD1-CB 3.98Å; L85-E115 HydrophobicContact CD2-CB 4.02Å; L85-E115 WeakPolarHBondContact CD2-OE2 3.32Å; D113-E115 VanDerWaalsContact C-N 3.28Å; D113-E115 PolarHBondContact O-N 2.99Å; E115-R117 PolarHBondContact O-N 3.4Å; E115-V118 PolarHBondContact O-N 3.05Å; E115-G119 PolarHBondContact O-N 2.84Å
116F93.8Very high91.6Very high3 Ų381.9 Ų81.91%0.01337%0.368CS..Hα-helixtrans-62.9-42.9174.9-70.4-63.2000112.5C81 I84 L85 Y104 Y108 D113 R114 V118 G119 I120C81-F116 HydrophobicContact CB-CE2 4.49Å; I84-F116 HydrophobicContact CG2-CE1 4.25Å; L85-F116 HydrophobicContact CB-CE1 3.8Å; L85-F116 HydrophobicContact CB-CZ 3.84Å; L85-F116 HydrophobicContact CD1-CD1 3.84Å; L85-F116 HydrophobicContact CD1-CE1 3.71Å; L85-F116 HydrophobicContact CD1-CG 4.43Å; L85-F116 HydrophobicContact CD1-CZ 4.23Å; L85-F116 HydrophobicContact CG-CE1 4.38Å; Y104-F116 HydrophobicContact CD1-CD1 4.07Å; Y108-F116 HydrophobicContact CD2-CB 3.93Å; Y108-F116 HydrophobicContact CG-CB 4.48Å; D113-F116 HydrophobicContact CB-CD2 3.66Å; D113-F116 HydrophobicContact CB-CE2 4.27Å; D113-F116 PolarHBondContact O-N 3.46Å; R114-F116 PolarHBondContact O-N 2.93Å; F116-V118 PolarHBondContact O-N 3.24Å; F116-G119 PolarHBondContact O-N 3.41Å; F116-I120 VanDerWaalsContact O-CG1 3.26Å; F116-I120 WeakPolarHBondContact O-CG1 3.37Å; F116-I120 PolarHBondContact O-N 3.4Å
117R93.1Very high91.2Very high155 Ų15577.6 Ų77.659%0.58535%0.354SS*.Hα-helixtrans-60.8-45.1178.2-174.8-177.1-63.2-156.8-0.7111.9Y108 D113 R114 E115 G119 I120 Q121Y108-R117 HydrophobicContact CE2-CB 4.29Å; Y108-R117 PolarHBondContact OH-NH2 3.15Å; D113-R117 PolarHBondContact O-N 3.07Å; R114-R117 PolarHBondContact O-N 3.42Å; E115-R117 PolarHBondContact O-N 3.4Å; R117-G119 VanDerWaalsContact C-N 3.34Å; R117-I120 PolarHBondContact O-N 3.46Å; R117-Q121 PolarHBondContact O-N 2.95Å; R117-Q121 VanDerWaalsContact O-N 3.11Å
118V93.6Very high90.8Very high54 Ų5479.6 Ų79.633%0.32736%0.364SS..Hα-helixtrans-65-40.8177.2172.50000110.5R114 E115 F116 Q121 K122R114-V118 HydrophobicContact CG-CG2 4.37Å; R114-V118 WeakPolarHBondContact O-CG2 3.33Å; R114-V118 PolarHBondContact O-N 3.15Å; E115-V118 PolarHBondContact O-N 3.05Å; F116-V118 PolarHBondContact O-N 3.24Å; V118-Q121 PolarHBondContact O-N 3.18Å; V118-K122 HydrophobicContact CG1-CD 4.03Å; V118-K122 HydrophobicContact CG1-CG 4.41Å; V118-K122 WeakPolarHBondContact O-CB 3.49Å; V118-K122 VanDerWaalsContact O-CG 3.31Å; V118-K122 WeakPolarHBondContact O-CG 3.45Å; V118-K122 PolarHBondContact O-N 2.84Å
119G91.8Very high90.1Very high3 Ų379.6 Ų79.63%0.03137%0.37CS..Hα-helixtrans-60-44.6174.400000113.4E115 F116 R117 Q121 K122 A123E115-G119 PolarHBondContact O-N 2.84Å; F116-G119 PolarHBondContact O-N 3.41Å; R117-G119 VanDerWaalsContact C-N 3.34Å; G119-Q121 PolarHBondContact O-N 3.25Å; G119-K122 PolarHBondContact O-N 3.13Å; G119-A123 WeakPolarHBondContact O-CB 3.27Å; G119-A123 PolarHBondContact O-N 3.45Å
120I94.2Very high89.3Confident29 Ų2973.8 Ų73.815%0.14935%0.353CS..Hα-helixtrans-57.8-49.7175.2-69.8163.5000110.4L101 Y108 F116 R117 K122 A123 Q124L101-I120 HydrophobicContact CD1-CB 4.36Å; L101-I120 HydrophobicContact CD1-CG1 4.49Å; L101-I120 HydrophobicContact CD1-CG2 4Å; Y108-I120 HydrophobicContact CD2-CD1 4.42Å; Y108-I120 HydrophobicContact CG-CD1 4.11Å; F116-I120 VanDerWaalsContact O-CG1 3.26Å; F116-I120 WeakPolarHBondContact O-CG1 3.37Å; F116-I120 PolarHBondContact O-N 3.4Å; R117-I120 PolarHBondContact O-N 3.46Å; I120-K122 PolarHBondContact O-N 3.18Å; I120-A123 PolarHBondContact O-N 2.87Å; I120-Q124 VanDerWaalsContact O-CB 3.29Å; I120-Q124 WeakPolarHBondContact O-CB 3.31Å; I120-Q124 PolarHBondContact O-N 3.48Å
121Q93.4Very high88.6Confident115 Ų11573.9 Ų73.954%0.53736%0.356SS..Hα-helixtrans-61.6-47.1-179.6-176.3177.4-400111.4R117 V118 G119 A123 Q124 E125R117-Q121 PolarHBondContact O-N 2.95Å; R117-Q121 VanDerWaalsContact O-N 3.11Å; V118-Q121 PolarHBondContact O-N 3.18Å; G119-Q121 PolarHBondContact O-N 3.25Å; Q121-A123 PolarHBondContact O-N 3.44Å; Q121-Q124 PolarHBondContact O-N 2.88Å; Q121-E125 HydrophobicContact CG-CG 4.41Å; Q121-E125 VanDerWaalsContact CG-OE1 3.24Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.4Å; Q121-E125 PolarHBondContact NE2-OE1 2.91Å; Q121-E125 WeakPolarHBondContact O-CB 3.42Å; Q121-E125 VanDerWaalsContact O-CG 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.33Å; Q121-E125 PolarHBondContact O-N 3.17Å
122K92.1Very high87.7Confident106 Ų10667.8 Ų67.846%0.46134%0.341SS..Hα-helixtrans-59.1-47.6177.7-74.3174177.8177.50112.2Y92 V118 G119 I120 E125 A126Y92-K122 HydrophobicContact CE2-CB 3.99Å; V118-K122 HydrophobicContact CG1-CD 4.03Å; V118-K122 HydrophobicContact CG1-CG 4.41Å; V118-K122 WeakPolarHBondContact O-CB 3.49Å; V118-K122 VanDerWaalsContact O-CG 3.31Å; V118-K122 WeakPolarHBondContact O-CG 3.45Å; V118-K122 PolarHBondContact O-N 2.84Å; G119-K122 PolarHBondContact O-N 3.13Å; I120-K122 PolarHBondContact O-N 3.18Å; K122-E125 PolarHBondContact O-N 2.8Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.32Å
123A92.9Very high86.8Confident0 Ų065.3 Ų65.30%033%0.326CS..Hα-helixtrans-65.7-42.7179.700000111.6Y92 L101 Y104 G119 I120 Q121 A126 I127Y92-A123 HydrophobicContact CD2-CB 4.19Å; Y92-A123 HydrophobicContact CE2-CB 4.39Å; L101-A123 HydrophobicContact CB-CB 3.97Å; L101-A123 HydrophobicContact CD1-CB 4.05Å; Y104-A123 HydrophobicContact CD2-CB 4.28Å; Y104-A123 HydrophobicContact CE2-CB 4.39Å; G119-A123 WeakPolarHBondContact O-CB 3.27Å; G119-A123 PolarHBondContact O-N 3.45Å; I120-A123 PolarHBondContact O-N 2.87Å; Q121-A123 PolarHBondContact O-N 3.44Å; A123-A126 PolarHBondContact O-N 2.92Å; A123-I127 VanDerWaalsContact O-CG1 3.27Å; A123-I127 WeakPolarHBondContact O-CG1 3.21Å; A123-I127 PolarHBondContact O-N 3.37Å
124Q90.9Very high85.6Confident73 Ų7367.9 Ų67.934%0.34135%0.346SS..Hα-helixtrans-64.5-42.2177.1-171.563.762.400112.2I120 Q121 I127 N128I120-Q124 VanDerWaalsContact O-CB 3.29Å; I120-Q124 WeakPolarHBondContact O-CB 3.31Å; I120-Q124 PolarHBondContact O-N 3.48Å; Q121-Q124 PolarHBondContact O-N 2.88Å; Q124-I127 PolarHBondContact O-N 2.88Å; Q124-N128 PolarHBondContact NE2-OD1 3.43Å; Q124-N128 VanDerWaalsContact O-CB 3.26Å; Q124-N128 WeakPolarHBondContact O-CB 3.34Å; Q124-N128 PolarHBondContact O-N 3.21Å; Q124-N128 PolarHBondContact O-ND2 3.09Å; Q124-N128 PolarHBondContact O-OD1 3.34Å
125E88.8Confident84.4Confident92 Ų9263.6 Ų63.643%0.4335%0.347SS..Hα-helixtrans-63.3-45174.3-74.5173.4-170.600110.7Q121 K122 I127 N128 N129Q121-E125 HydrophobicContact CG-CG 4.41Å; Q121-E125 VanDerWaalsContact CG-OE1 3.24Å; Q121-E125 WeakPolarHBondContact CG-OE1 3.4Å; Q121-E125 PolarHBondContact NE2-OE1 2.91Å; Q121-E125 WeakPolarHBondContact O-CB 3.42Å; Q121-E125 VanDerWaalsContact O-CG 3.3Å; Q121-E125 WeakPolarHBondContact O-CG 3.33Å; Q121-E125 PolarHBondContact O-N 3.17Å; K122-E125 PolarHBondContact O-N 2.8Å; E125-I127 PolarHBondContact O-N 3.3Å; E125-N128 PolarHBondContact O-N 3.08Å; E125-N129 WeakPolarHBondContact O-CB 3.36Å; E125-N129 PolarHBondContact O-N 3.22Å; E125-N129 PolarHBondContact O-ND2 3.47Å; E125-N129 PolarHBondContact O-OD1 2.65Å; E125-N129 VanDerWaalsContact O-OD1 3.08Å
126A86.7Confident83Confident11 Ų1162.3 Ų62.39%0.09135%0.35CS..Hα-helixtrans-59.2-44.4176.700000112.4Y92 F97 K122 A123 N129 S130Y92-A126 HydrophobicContact CE2-CB 4.13Å; F97-A126 HydrophobicContact CD1-CB 3.78Å; F97-A126 HydrophobicContact CD2-CB 4.11Å; F97-A126 HydrophobicContact CE1-CB 3.92Å; F97-A126 HydrophobicContact CE2-CB 4.23Å; F97-A126 HydrophobicContact CG-CB 3.88Å; F97-A126 HydrophobicContact CZ-CB 4.14Å; K122-A126 WeakPolarHBondContact O-CB 3.4Å; K122-A126 PolarHBondContact O-N 3.32Å; A123-A126 PolarHBondContact O-N 2.92Å; A126-N129 PolarHBondContact O-N 2.92Å; A126-S130 WeakPolarHBondContact O-CB 3.24Å; A126-S130 PolarHBondContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 3.07Å
127I85.9Confident81.3Confident27 Ų2765.5 Ų65.514%0.13837%0.366CS..Hα-helixtrans-63.3-50.2175.2-66.9164.7000110.6F97 E98 L101 A123 Q124 E125 N129 S130 V131F97-I127 HydrophobicContact CB-CD1 4.15Å; F97-I127 HydrophobicContact CB-CG1 3.58Å; E98-I127 HydrophobicContact CG-CD1 4.46Å; L101-I127 HydrophobicContact CB-CD1 4.32Å; L101-I127 HydrophobicContact CD2-CD1 3.75Å; A123-I127 VanDerWaalsContact O-CG1 3.27Å; A123-I127 WeakPolarHBondContact O-CG1 3.21Å; A123-I127 PolarHBondContact O-N 3.37Å; Q124-I127 PolarHBondContact O-N 2.88Å; E125-I127 PolarHBondContact O-N 3.3Å; I127-N129 PolarHBondContact O-N 3.46Å; I127-S130 PolarHBondContact O-N 2.84Å; I127-V131 HydrophobicContact CG2-CG2 4.5Å; I127-V131 PolarHBondContact O-N 2.94Å
128N84.4Confident79.6Confident41 Ų4166.8 Ų66.822%0.21938%0.376CS..Hα-helixtrans-61.8-31.5179.7-71.2-10.8000112.1Q124 E125 G132Q124-N128 PolarHBondContact NE2-OD1 3.43Å; Q124-N128 VanDerWaalsContact O-CB 3.26Å; Q124-N128 WeakPolarHBondContact O-CB 3.34Å; Q124-N128 PolarHBondContact O-N 3.21Å; Q124-N128 PolarHBondContact O-ND2 3.09Å; Q124-N128 PolarHBondContact O-OD1 3.34Å; E125-N128 PolarHBondContact O-N 3.08Å; N128-G132 CarbonylContact O-C 3.52Å; N128-G132 WeakPolarHBondContact O-CA 3.48Å; N128-G132 PolarHBondContact O-N 3.42Å
129N80.1Confident78Confident72 Ų7272.1 Ų72.139%0.38540%0.402SS..Hα-helixtrans-73.4-32175.8-65.9-9.7000111.8E125 A126 I127 R250E125-N129 WeakPolarHBondContact O-CB 3.36Å; E125-N129 PolarHBondContact O-N 3.22Å; E125-N129 PolarHBondContact O-ND2 3.47Å; E125-N129 PolarHBondContact O-OD1 2.65Å; E125-N129 VanDerWaalsContact O-OD1 3.08Å; A126-N129 PolarHBondContact O-N 2.92Å; I127-N129 PolarHBondContact O-N 3.46Å; N129-R250 VanDerWaalsContact CG-NH1 3.29Å; N129-R250 PolarHBondContact OD1-NH1 3.47Å
130S76.2Confident76.6Confident66 Ų6677.7 Ų77.746%0.46243%0.427SS..Hα-helixtrans-83.7-43.4-177.5-55.80000112.2A126 I127A126-S130 WeakPolarHBondContact O-CB 3.24Å; A126-S130 PolarHBondContact O-N 3.14Å; A126-S130 PolarHBondContact O-OG 3.07Å; I127-S130 PolarHBondContact O-N 2.84Å
131V74.6Confident74.9Confident89 Ų8983.3 Ų83.354%0.53946%0.457SS..Hα-helixtrans-107.3-20.9-171.3-169.80000112.2I127 I137I127-V131 HydrophobicContact CG2-CG2 4.5Å; I127-V131 PolarHBondContact O-N 2.94Å; V131-I137 HydrophobicContact CG1-CD1 3.74Å; V131-I137 WeakPolarHBondContact O-CD1 3.33Å
132G69.2Low73.3Confident25 Ų2586 Ų8626%0.25847%0.467SS..  trans95.7168.1-17000000112.2N128N128-G132 CarbonylContact O-C 3.52Å; N128-G132 WeakPolarHBondContact O-CA 3.48Å; N128-G132 PolarHBondContact O-N 3.42Å
133S70.9Confident71.8Confident48 Ų4883.6 Ų83.634%0.33647%0.472SS..  trans-70.3148.3174-67.30000110.3S135 S136S133-S135 WeakPolarHBondContact CB-OG 3.39Å; S133-S135 PolarHBondContact O-N 3.05Å; S133-S136 PolarHBondContact N-OG 2.88Å; S133-S136 PolarHBondContact O-N 2.96Å; S133-S136 PolarHBondContact O-OG 3.45Å
134P63.1Low69.7Low105 Ų10590.4 Ų90.468%0.68251%0.509SS*.G310 helixtrans-54.2-30.1176.1-24.632.3000113S136 I137P134-S136 VanDerWaalsContact C-N 3.34Å; P134-S136 PolarHBondContact O-N 3.25Å; P134-I137 PolarHBondContact O-N 3.38Å
135S65.9Low68Low112 Ų11291.9 Ų91.978%0.78352%0.519SS*.G310 helixtrans-70.1-23.217647.40000114.7S133S133-S135 WeakPolarHBondContact CB-OG 3.39Å; S133-S135 PolarHBondContact O-N 3.05Å
136S61.9Low66.6Low82 Ų8290 Ų9057%0.57352%0.515SS*.G310 helixtrans-88.5-14.3177.538.20000113.7S133 P134S133-S136 PolarHBondContact N-OG 2.88Å; S133-S136 PolarHBondContact O-N 2.96Å; S133-S136 PolarHBondContact O-OG 3.45Å; P134-S136 VanDerWaalsContact C-N 3.34Å; P134-S136 PolarHBondContact O-N 3.25Å
137I57.6Low65.1Low70 Ų7096 Ų9636%0.35954%0.54SS..  trans-101.296.9-177.3-55.7161.3000108.2V131 P134 L139V131-I137 HydrophobicContact CG1-CD1 3.74Å; V131-I137 WeakPolarHBondContact O-CD1 3.33Å; P134-I137 PolarHBondContact O-N 3.38Å; I137-L139 HydrophobicContact CG2-CD2 4.11Å; I137-L139 HydrophobicContact CG2-CG 4.3Å; I137-L139 PolarHBondContact O-N 3.43Å
138K57.5Low63.5Low183 Ų18399.9 Ų99.980%0.79656%0.56SS**  trans-76.6101.2165.6-76.2-179.1177.9178.40108E140K138-E140 PolarHBondContact O-N 3.36Å
139L60.4Low62.2Low165 Ų165100.7 Ų100.786%0.86457%0.569SS**  trans-6697.3169.7-66166.7000108I137I137-L139 HydrophobicContact CG2-CD2 4.11Å; I137-L139 HydrophobicContact CG2-CG 4.3Å; I137-L139 PolarHBondContact O-N 3.43Å
140E61.3Low61Low120 Ų120103.6 Ų103.656%0.56158%0.578SS**  trans-84.2128.3170.1-66.6-166.9-175.600109.3K138 K142K138-E140 PolarHBondContact O-N 3.36Å; E140-K142 HydrophobicContact CB-CG 4.4Å; E140-K142 PolarHBondContact O-N 2.88Å; E140-K142 WeakPolarHBondContact OE2-CD 3.5Å; E140-K142 VanDerWaalsContact OE2-CE 3.32Å; E140-K142 WeakPolarHBondContact OE2-CE 3.3Å; E140-K142 IonicContact OE2-NZ 3.9Å; E140-K142 PolarHBondContact OE2-NZ 3.02Å
141N59.4Low60Low147 Ų147105.1 Ų105.179%0.78658%0.578SS**THydrogen-bonded Turntrans-74.340.6176.9-115.2-2.4000112.4
142K60.1Low58.9Low173 Ų173103.4 Ų103.475%0.75257%0.573SS**THydrogen-bonded Turntrans-105.6-7.5-177.9-68.4-176.4-173.1153.20113.7E140E140-K142 HydrophobicContact CB-CG 4.4Å; E140-K142 PolarHBondContact O-N 2.88Å; E140-K142 WeakPolarHBondContact OE2-CD 3.5Å; E140-K142 VanDerWaalsContact OE2-CE 3.32Å; E140-K142 WeakPolarHBondContact OE2-CE 3.3Å; E140-K142 IonicContact OE2-NZ 3.9Å; E140-K142 PolarHBondContact OE2-NZ 3.02Å
143G58.8Low58.1Low55 Ų55108.2 Ų108.257%0.56759%0.588SS**SBendtrans-83.8138.9170.900000110.7L145G143-L145 PolarHBondContact O-N 2.83Å
144D49.1Very low57.2Low143 Ų143110.8 Ų110.877%0.76560%0.599SS**  trans-57.4108.6-179.3-119.3-0.8000111S146D144-S146 PolarHBondContact O-N 3.48Å
145L56.9Low56.8Low104 Ų104110.6 Ų110.655%0.54559%0.591SS.*THydrogen-bonded Turntrans-65.90.6177-65.4169000112.9G143 F147 L148 S149G143-L145 PolarHBondContact O-N 2.83Å; L145-F147 PolarHBondContact O-N 2.94Å; L145-L148 HydrophobicContact CD2-CD1 4.1Å; L145-L148 PolarHBondContact O-N 3.32Å; L145-L148 VanDerWaalsContact O-N 3.11Å; L145-S149 PolarHBondContact O-N 3.32Å
146S58.9Low56.1Low51 Ų51113.5 Ų113.536%0.35759%0.589SS.*Hα-helixtrans-60.3-21.4176.765.10000113.3D144 S149 K150D144-S146 PolarHBondContact O-N 3.48Å; S146-S149 PolarHBondContact O-OG 3.35Å; S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 2.88Å
147F54.6Low55.3Low139 Ų139112.8 Ų112.861%0.6159%0.589SS**Hα-helixtrans-67-41.1173.1-177-97.8000112.4L145 K150 Q151L145-F147 PolarHBondContact O-N 2.94Å; F147-K150 PolarHBondContact O-N 3.22Å; F147-Q151 PolarHBondContact O-N 3.03Å; F147-Q151 VanDerWaalsContact O-N 3.11Å
148L52.5Low54.9Low108 Ų108117 Ų11757%0.56561%0.607SS**Hα-helixtrans-70.1-34.5179-69.3170.8000111.6L145 Q151 A152L145-L148 HydrophobicContact CD2-CD1 4.1Å; L145-L148 PolarHBondContact O-N 3.32Å; L145-L148 VanDerWaalsContact O-N 3.11Å; L148-Q151 PolarHBondContact O-N 2.98Å; L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.27Å
149S57.8Low54.2Low57 Ų57115.7 Ų115.740%0.39960%0.604SS.*Hα-helixtrans-67.1-42.5175.676.30000111.6L145 S146 Q151 A152 E153L145-S149 PolarHBondContact O-N 3.32Å; S146-S149 PolarHBondContact O-OG 3.35Å; S149-Q151 VanDerWaalsContact C-N 3.35Å; S149-Q151 PolarHBondContact O-N 3.11Å; S149-A152 PolarHBondContact O-N 3.36Å; S149-E153 WeakPolarHBondContact O-CB 3.36Å; S149-E153 VanDerWaalsContact O-CG 3.29Å; S149-E153 WeakPolarHBondContact O-CG 3.46Å; S149-E153 PolarHBondContact O-N 2.98Å
150K55.1Low52.9Low133 Ų133116.5 Ų116.558%0.57860%0.6SS**Hα-helixtrans-63.9-36.7175.9-77.3178.4179.4175.40113S146 F147 N154S146-K150 WeakPolarHBondContact O-CG 3.36Å; S146-K150 PolarHBondContact O-N 2.88Å; F147-K150 PolarHBondContact O-N 3.22Å; K150-N154 WeakPolarHBondContact O-CB 3.48Å; K150-N154 PolarHBondContact O-N 3.16Å
151Q53.6Low51.6Low99 Ų99116.9 Ų116.946%0.46361%0.613SS.*Hα-helixtrans-68.7-42175.5-119.2178.7-0.800111.7F147 L148 S149 E153 N154 I155F147-Q151 PolarHBondContact O-N 3.03Å; F147-Q151 VanDerWaalsContact O-N 3.11Å; L148-Q151 PolarHBondContact O-N 2.98Å; S149-Q151 VanDerWaalsContact C-N 3.35Å; S149-Q151 PolarHBondContact O-N 3.11Å; Q151-E153 VanDerWaalsContact C-N 3.34Å; Q151-N154 PolarHBondContact O-N 2.98Å; Q151-I155 VanDerWaalsContact O-CG1 3.27Å; Q151-I155 WeakPolarHBondContact O-CG1 3.45Å; Q151-I155 PolarHBondContact O-N 3.33Å
152A51.3Low50.1Low52 Ų52118.7 Ų118.743%0.4362%0.617SS.*Hα-helixtrans-66.4-34.9175.300000112.7L148 S149 K156L148-A152 WeakPolarHBondContact O-CB 3.22Å; L148-A152 PolarHBondContact O-N 3.27Å; S149-A152 PolarHBondContact O-N 3.36Å; A152-K156 PolarHBondContact O-N 2.93Å
153E52.9Low48.7Very low126 Ų126116.3 Ų116.359%0.58962%0.619SS**Hα-helixtrans-68.2-41172.9-76.2173.9177.100112S149 Q151 K156 A157S149-E153 WeakPolarHBondContact O-CB 3.36Å; S149-E153 VanDerWaalsContact O-CG 3.29Å; S149-E153 WeakPolarHBondContact O-CG 3.46Å; S149-E153 PolarHBondContact O-N 2.98Å; Q151-E153 VanDerWaalsContact C-N 3.34Å; E153-K156 PolarHBondContact O-N 2.74Å; E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.67Å
154N53.2Low47.5Very low103 Ų103122.4 Ų122.455%0.55164%0.635SS**Hα-helixtrans-65.8-37.3175.4-91.4-20.5000113.2K150 Q151 K156 A157 Q158K150-N154 WeakPolarHBondContact O-CB 3.48Å; K150-N154 PolarHBondContact O-N 3.16Å; Q151-N154 PolarHBondContact O-N 2.98Å; N154-K156 VanDerWaalsContact C-N 3.34Å; N154-A157 PolarHBondContact O-N 3.45Å; N154-Q158 WeakPolarHBondContact O-CG 3.44Å; N154-Q158 PolarHBondContact O-N 3.46Å
155I54.6Low46.6Very low101 Ų101125 Ų12552%0.51864%0.639SS.*Hα-helixtrans-67.2-36.2175.8-66.8164000110.9Q151Q151-I155 VanDerWaalsContact O-CG1 3.27Å; Q151-I155 WeakPolarHBondContact O-CG1 3.45Å; Q151-I155 PolarHBondContact O-N 3.33Å
156K49.6Very low45.5Very low172 Ų172128.7 Ų128.775%0.74865%0.653SS**Hα-helixtrans-70-31.8172-77.9179.9177.6178.30112.6A152 E153 N154A152-K156 PolarHBondContact O-N 2.93Å; E153-K156 PolarHBondContact O-N 2.74Å; N154-K156 VanDerWaalsContact C-N 3.34Å
157A47Very low44Very low68 Ų68134.4 Ų134.456%0.56268%0.679SS**Hα-helixtrans-73.4-28.6177.800000113.5E153 N154 Q159E153-A157 WeakPolarHBondContact O-CB 3.32Å; E153-A157 PolarHBondContact O-N 2.67Å; N154-A157 PolarHBondContact O-N 3.45Å; A157-Q159 VanDerWaalsContact C-N 3.32Å; A157-Q159 PolarHBondContact O-N 3.33Å
158Q48.7Very low42.6Very low159 Ų159135.4 Ų135.474%0.74369%0.69SS**THydrogen-bonded Turntrans-80.7-4.3178.8-74178.7-6.800114.7N154 K160N154-Q158 WeakPolarHBondContact O-CG 3.44Å; N154-Q158 PolarHBondContact O-N 3.46Å; Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 3.06Å
159Q43.2Very low41.6Very low155 Ų155139 Ų13972%0.72470%0.703SS**THydrogen-bonded Turntrans-87.714.5176.9-70.4-176.16.800114.5A157A157-Q159 VanDerWaalsContact C-N 3.32Å; A157-Q159 PolarHBondContact O-N 3.33Å
160K32.2Very low40.2Very low182 Ų182142.1 Ų142.179%0.79172%0.722SS**SBendtrans-100.5126.7165.4-87.7-177.6176.4177.90110.1Q158 Q162Q158-K160 VanDerWaalsContact C-N 3.32Å; Q158-K160 PolarHBondContact O-N 3.06Å; K160-Q162 PolarHBondContact O-N 3.02Å
161P35.2Very low39.1Very low128 Ų128142 Ų14283%0.83173%0.733SS**  trans-76.8122.7-175.730.5-31.3000109.9
162Q27.6Very low37.9Very low185 Ų185147.3 Ų147.386%0.86475%0.754SS**  trans-134149.8163.6-76.4-166.3-6.200110.9K160K160-Q162 PolarHBondContact O-N 3.02Å
163P30.6Very low37.1Very low123 Ų123148.6 Ų148.680%0.79977%0.773SS**  trans-84.3148.9-156.8-0.619.5000112.8K165P163-K165 PolarHBondContact O-N 3.33Å
164M33.9Very low35.9Very low183 Ų183151.4 Ų151.490%0.90179%0.786SS**  trans-50.5126.3175.2-83178.3167.400112.6
165K28.7Very low34.8Very low198 Ų198152.3 Ų152.386%0.86180%0.798SS**  trans-119.2120.7154.1-82.7-175.8176.4179.70109P163P163-K165 PolarHBondContact O-N 3.33Å
166H34.1Very low34Very low180 Ų180157.1 Ų157.183%0.83382%0.815SS**  trans-56.8133.9170.5-76.9-82.2000110.9
167L27.6Very low33.1Very low172 Ų172158.1 Ų158.190%0.90181%0.814SS**  trans-113.3112.3169.4-87.6152000108.9
168L25.9Very low32.1Very low160 Ų160164.6 Ų164.684%0.83883%0.829SS**  trans-66.1140.7170.6-72.9130000110.5
169H31.7Very low31.3Very low183 Ų183161.5 Ų161.585%0.84783%0.831SS**  trans-62.8140.3163.8-83.2-77.9000111.3
170P27.8Very low30.9Very low123 Ų123158.5 Ų158.580%0.79983%0.827SS**  trans-109.1114.3149.414.74.8000109.9
171T31.6Very low31.4Very low129 Ų129158.4 Ų158.479%0.79183%0.834SS**  trans-70.8131.615647.70000109.4
172K29Very low32.2Very low211 Ų211156.1 Ų156.192%0.91781%0.811SS**  trans-163129.1146.9-105167.4-166.6-169.10109.2
173G34.1Very low33.8Very low80 Ų80150.4 Ų150.483%0.82579%0.792SS**  trans-77.2148.8-172.900000113.4
174E27.3Very low35.7Very low184 Ų184150.6 Ų150.686%0.8678%0.782SS**  trans-137.8151.2163.5-82.2-169.3172.900108.1
175P30.8Very low37.5Very low123 Ų123148 Ų14880%0.79977%0.766SS**  trans-69.8136.9-159.327.9-33.2000111.3W177P175-W177 PolarHBondContact O-N 3.47Å; P175-W177 VanDerWaalsContact O-N 3.13Å
176K37.4Very low39.7Very low201 Ų201140.2 Ų140.287%0.87474%0.735SS**SBendtrans-55119.3160.3-69.4176.1177.4176.20106.2
177W31.8Very low41.9Very low193 Ų193132 Ų13273%0.73170%0.697SS**  trans168.377.2145.4-92.242.7000106.7P175 L205 M226P175-W177 PolarHBondContact O-N 3.47Å; P175-W177 VanDerWaalsContact O-N 3.13Å; W177-L205 HydrophobicContact CH2-CD2 3.95Å; W177-M226 HydrophobicContact CZ2-CE 4.08Å; W177-M226 HydrophobicContact CZ2-SD 4.4Å
178K25.3Very low44.2Very low204 Ų204125.3 Ų125.389%0.88766%0.66SS**  trans-125.799.5151.2-81.1-174.6178.7174.40105.8S180K178-S180 PolarHBondContact O-N 3.2Å
179A32.7Very low46.7Very low94 Ų94121 Ų12178%0.77764%0.636SS**  trans-46.5115.2165.700000107.5L181A179-L181 PolarHBondContact O-N 2.84Å; A179-L181 VanDerWaalsContact O-N 3.1Å
180S34.5Very low49.1Very low92 Ų92112.8 Ų112.864%0.64360%0.598SS**  trans-51.5120.9158.2174.40000105.1K178 K182K178-S180 PolarHBondContact O-N 3.2Å; S180-K182 PolarHBondContact O-N 3.24Å
181L41.1Very low51.5Low180 Ų180107.4 Ų107.494%0.94256%0.562SS**  trans-60.878.2167.4-85.4132.8000107.3A179 S183A179-L181 PolarHBondContact O-N 2.84Å; A179-L181 VanDerWaalsContact O-N 3.1Å; L181-S183 PolarHBondContact O-N 2.97Å
182K52.4Low53.8Low80 Ų80103 Ų10335%0.34854%0.543SS..  trans-61129.8166.9-65.1168-177.1168.80104.1S180 E184 V187 D233S180-K182 PolarHBondContact O-N 3.24Å; K182-E184 PolarHBondContact O-N 3.4Å; K182-V187 HydrophobicContact CB-CG2 3.63Å; K182-V187 HydrophobicContact CD-CG2 3.87Å; K182-V187 HydrophobicContact CG-CG2 4.25Å; K182-D233 IonicContact NZ-OD1 3.45Å; K182-D233 PolarHBondContact NZ-OD1 2.92Å; K182-D233 IonicContact NZ-OD2 3.5Å; K182-D233 PolarHBondContact NZ-OD2 3.46Å
183S62.3Low55.7Low66 Ų6697.1 Ų97.146%0.46252%0.519SS..  trans-54.3109.7166.5163.20000106.6L181 K185 T186 V187L181-S183 PolarHBondContact O-N 2.97Å; S183-K185 PolarHBondContact O-N 3.4Å; S183-K185 VanDerWaalsContact O-N 3.09Å; S183-T186 WeakPolarHBondContact CB-OG1 3.39Å; S183-T186 WeakPolarHBondContact O-CA 3.26Å; S183-T186 VanDerWaalsContact O-CB 3.23Å; S183-T186 WeakPolarHBondContact O-CB 3.07Å; S183-T186 PolarHBondContact O-N 3.11Å; S183-T186 PolarHBondContact OG-OG1 2.87Å; S183-V187 PolarHBondContact O-N 3.49Å
184E69.7Low57.9Low126 Ų12696.4 Ų96.459%0.58950%0.496SS*.Hα-helixtrans-49.5-38.6-176.8-169.1-177.4159.800110.9K182 T186 V187 R188 Y195K182-E184 PolarHBondContact O-N 3.4Å; E184-T186 PolarHBondContact O-N 3.23Å; E184-V187 PolarHBondContact O-N 2.97Å; E184-R188 WeakPolarHBondContact O-CB 3.39Å; E184-R188 PolarHBondContact O-N 3.37Å; E184-Y195 WeakPolarHBondContact CG-OH 3.31Å; E184-Y195 PolarHBondContact OE1-OH 3.5Å; E184-Y195 VanDerWaalsContact OE1-OH 3.08Å
185K72.1Confident60.6Low130 Ų13088.5 Ų88.557%0.56546%0.458SS*.Hα-helixtrans-58.1-41.1174.6-61-176.2177-175.30113.5S183 R188 Q189S183-K185 PolarHBondContact O-N 3.4Å; S183-K185 VanDerWaalsContact O-N 3.09Å; K185-R188 PolarHBondContact O-N 2.8Å; K185-Q189 WeakPolarHBondContact O-CB 3.23Å; K185-Q189 PolarHBondContact O-N 3.27Å
186T75.6Confident62.7Low33 Ų3383.7 Ų83.720%0.20243%0.427CS..Hα-helixtrans-66.3-43.7178.4-590000110.7S183 E184 R188 Q189 L190 I245S183-T186 WeakPolarHBondContact CB-OG1 3.39Å; S183-T186 WeakPolarHBondContact O-CA 3.26Å; S183-T186 VanDerWaalsContact O-CB 3.23Å; S183-T186 WeakPolarHBondContact O-CB 3.07Å; S183-T186 PolarHBondContact O-N 3.11Å; S183-T186 PolarHBondContact OG-OG1 2.87Å; E184-T186 PolarHBondContact O-N 3.23Å; T186-R188 VanDerWaalsContact C-N 3.35Å; T186-Q189 PolarHBondContact O-N 3.49Å; T186-L190 HydrophobicContact CG2-CD1 4.01Å; T186-L190 WeakPolarHBondContact O-CB 3.4Å; T186-L190 VanDerWaalsContact O-CG 3.22Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.17Å; T186-I245 HydrophobicContact CG2-CD1 3.33Å; T186-I245 HydrophobicContact CG2-CG1 4.37Å
187V78.8Confident64.8Low8 Ų876.6 Ų76.65%0.04840%0.398CS..Hα-helixtrans-67-41.6179.5-1790000110.1K182 S183 E184 Q189 L190 L191 Y195 K198K182-V187 HydrophobicContact CB-CG2 3.63Å; K182-V187 HydrophobicContact CD-CG2 3.87Å; K182-V187 HydrophobicContact CG-CG2 4.25Å; S183-V187 PolarHBondContact O-N 3.49Å; E184-V187 PolarHBondContact O-N 2.97Å; V187-Q189 PolarHBondContact O-N 3.33Å; V187-L190 PolarHBondContact O-N 2.9Å; V187-L191 HydrophobicContact CG1-CD1 3.73Å; V187-L191 HydrophobicContact CG1-CG 4.36Å; V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 PolarHBondContact O-N 3.41Å; V187-Y195 HydrophobicContact CB-CE2 4.27Å; V187-Y195 HydrophobicContact CG1-CD2 4.1Å; V187-Y195 HydrophobicContact CG1-CE2 4.05Å; V187-K198 HydrophobicContact CG1-CD 4.36Å
188R77.2Confident67.3Low32 Ų3267.9 Ų67.912%0.12137%0.365CS..Hα-helixtrans-60.3-44175.1-169.4167.6-173-177.20.9112.8E184 K185 T186 L190 G192 Y195 L285 E332E184-R188 WeakPolarHBondContact O-CB 3.39Å; E184-R188 PolarHBondContact O-N 3.37Å; K185-R188 PolarHBondContact O-N 2.8Å; T186-R188 VanDerWaalsContact C-N 3.35Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 3.13Å; R188-G192 WeakPolarHBondContact O-CA 3.38Å; R188-G192 PolarHBondContact O-N 2.93Å; R188-Y195 HydrophobicContact CB-CD1 4.1Å; R188-Y195 HydrophobicContact CB-CD2 3.78Å; R188-Y195 HydrophobicContact CB-CE1 4.25Å; R188-Y195 HydrophobicContact CB-CE2 3.91Å; R188-Y195 HydrophobicContact CB-CG 3.86Å; R188-Y195 HydrophobicContact CG-CD1 3.66Å; R188-Y195 HydrophobicContact CG-CD2 4.19Å; R188-Y195 HydrophobicContact CG-CE1 4.06Å; R188-Y195 HydrophobicContact CG-CG 3.73Å; R188-L285 PolarHBondContact NH1-O 3.1Å; R188-L285 PolarHBondContact NH2-O 3.3Å; R188-E332 IonicContact CZ-OE2 3.91Å; R188-E332 IonicContact NH2-OE2 2.84Å; R188-E332 PolarHBondContact NH2-OE2 2.97Å
189Q77.6Confident70.1Confident69 Ų6960.3 Ų60.332%0.32233%0.333SS..Hα-helixtrans-68.9-28.9176.7-165.7179.111.900113.2K185 T186 V187K185-Q189 WeakPolarHBondContact O-CB 3.23Å; K185-Q189 PolarHBondContact O-N 3.27Å; T186-Q189 PolarHBondContact O-N 3.49Å; V187-Q189 PolarHBondContact O-N 3.33Å
190L81.3Confident72.5Confident10 Ų1058.7 Ų58.75%0.05231%0.307CS..Hα-helixtrans-79.9-39.6178.7-73.2170.9000112.7T186 V187 R188 W239 R240T186-L190 HydrophobicContact CG2-CD1 4.01Å; T186-L190 WeakPolarHBondContact O-CB 3.4Å; T186-L190 VanDerWaalsContact O-CG 3.22Å; T186-L190 WeakPolarHBondContact O-CG 3.39Å; T186-L190 PolarHBondContact O-N 3.17Å; V187-L190 PolarHBondContact O-N 2.9Å; R188-L190 VanDerWaalsContact C-N 3.32Å; R188-L190 PolarHBondContact O-N 3.13Å; L190-W239 HydrophobicContact CD2-CB 4.31Å; L190-R240 HydrophobicContact CD1-CB 4.05Å; L190-R240 HydrophobicContact CD1-CG 4.37Å
191L79.7Confident75Confident10 Ų1056 Ų565%0.05229%0.285CS..Hα-helixtrans-85.9-24.4-179.3-70.9176.8000113.4V187 E193 L194 Y195 K198 L232V187-L191 HydrophobicContact CG1-CD1 3.73Å; V187-L191 HydrophobicContact CG1-CG 4.36Å; V187-L191 WeakPolarHBondContact O-CB 3.49Å; V187-L191 PolarHBondContact O-N 3.41Å; L191-E193 PolarHBondContact O-N 3.46Å; L191-L194 HydrophobicContact CB-CB 4.33Å; L191-L194 WeakPolarHBondContact O-CB 3.4Å; L191-L194 PolarHBondContact O-N 3.23Å; L191-L194 VanDerWaalsContact O-N 3.13Å; L191-Y195 HydrophobicContact CD1-CD2 4.34Å; L191-K198 HydrophobicContact CD1-CB 4.27Å; L191-K198 HydrophobicContact CD1-CD 3.66Å; L191-L232 HydrophobicContact CD1-CB 4.49Å; L191-L232 HydrophobicContact CD2-CB 4.45Å; L191-L232 HydrophobicContact CD2-CD2 4.37Å
192G79.5Confident77.2Confident38 Ų3851.6 Ų51.639%0.39226%0.26SS..THydrogen-bonded Turntrans59.5-123.7-179.300000111.1R188 L194 Y195R188-G192 WeakPolarHBondContact O-CA 3.38Å; R188-G192 PolarHBondContact O-N 2.93Å; G192-L194 PolarHBondContact O-N 3.27Å; G192-Y195 VanDerWaalsContact O-CB 3.25Å; G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.14Å
193E68.7Low78.7Confident87 Ų8753.4 Ų53.441%0.40727%0.268SS..THydrogen-bonded Turntrans-63.4-29.5179-55.2-169.416500113.1L191 Y195 V196 R368L191-E193 PolarHBondContact O-N 3.46Å; E193-Y195 PolarHBondContact O-N 3.05Å; E193-V196 PolarHBondContact O-N 3.41Å; E193-R368 IonicContact OE1-NH2 3.4Å; E193-R368 IonicContact OE2-CZ 3.61Å; E193-R368 IonicContact OE2-NH1 3.33Å; E193-R368 PolarHBondContact OE2-NH1 2.95Å; E193-R368 IonicContact OE2-NH2 2.81Å; E193-R368 PolarHBondContact OE2-NH2 3.29Å
194L79.4Confident79.7Confident64 Ų6452 Ų5234%0.33526%0.255SS..Hα-helixtrans-71.8-10.7178.9-61.8174.7000113.2L191 G192 V196 D197 K198 L232L191-L194 HydrophobicContact CB-CB 4.33Å; L191-L194 WeakPolarHBondContact O-CB 3.4Å; L191-L194 PolarHBondContact O-N 3.23Å; L191-L194 VanDerWaalsContact O-N 3.13Å; G192-L194 PolarHBondContact O-N 3.27Å; L194-V196 PolarHBondContact O-N 3.36Å; L194-D197 WeakPolarHBondContact CD2-OD2 3.46Å; L194-D197 PolarHBondContact O-N 3.19Å; L194-K198 PolarHBondContact O-N 2.89Å; L194-K198 VanDerWaalsContact O-N 3.14Å; L194-L232 HydrophobicContact CB-CD2 4.02Å; L194-L232 HydrophobicContact CD1-CD2 4.35Å
195Y84.1Confident80.4Confident19 Ų1947.7 Ų47.78%0.07524%0.236CC..Hα-helixtrans-62.2-38.2176-177.9-99.5000111.3E184 V187 R188 L191 G192 E193 D197 K198 E199E184-Y195 WeakPolarHBondContact CG-OH 3.31Å; E184-Y195 PolarHBondContact OE1-OH 3.5Å; E184-Y195 VanDerWaalsContact OE1-OH 3.08Å; V187-Y195 HydrophobicContact CB-CE2 4.27Å; V187-Y195 HydrophobicContact CG1-CD2 4.1Å; V187-Y195 HydrophobicContact CG1-CE2 4.05Å; R188-Y195 HydrophobicContact CB-CD1 4.1Å; R188-Y195 HydrophobicContact CB-CD2 3.78Å; R188-Y195 HydrophobicContact CB-CE1 4.25Å; R188-Y195 HydrophobicContact CB-CE2 3.91Å; R188-Y195 HydrophobicContact CB-CG 3.86Å; R188-Y195 HydrophobicContact CG-CD1 3.66Å; R188-Y195 HydrophobicContact CG-CD2 4.19Å; R188-Y195 HydrophobicContact CG-CE1 4.06Å; R188-Y195 HydrophobicContact CG-CG 3.73Å; L191-Y195 HydrophobicContact CD1-CD2 4.34Å; G192-Y195 VanDerWaalsContact O-CB 3.25Å; G192-Y195 WeakPolarHBondContact O-CB 3.47Å; G192-Y195 PolarHBondContact O-N 3.14Å; E193-Y195 PolarHBondContact O-N 3.05Å; Y195-D197 VanDerWaalsContact C-N 3.29Å; Y195-D197 PolarHBondContact O-N 3.04Å; Y195-K198 WeakPolarHBondContact O-CB 3.26Å; Y195-K198 PolarHBondContact O-N 3.42Å; Y195-E199 PolarHBondContact O-N 2.9Å
196V74.8Confident80.8Confident22 Ų2248.3 Ų48.313%0.13325%0.245CC..Hα-helixtrans-59.7-42.8177162.20000111E193 L194 K198 E199 Y200 E332E193-V196 PolarHBondContact O-N 3.41Å; L194-V196 PolarHBondContact O-N 3.36Å; V196-K198 VanDerWaalsContact C-N 3.31Å; V196-K198 PolarHBondContact O-N 3.48Å; V196-E199 PolarHBondContact O-N 2.89Å; V196-Y200 WeakPolarHBondContact O-CB 3.49Å; V196-Y200 PolarHBondContact O-N 3.31Å; V196-E332 WeakPolarHBondContact CG2-OE1 3.32Å
197D82Confident81.1Confident51 Ų5150.6 Ų50.627%0.27326%0.256SS..Hα-helixtrans-67.7-36.4179.7-55.8-35000110.7L194 Y195 Y200 L201L194-D197 WeakPolarHBondContact CD2-OD2 3.46Å; L194-D197 PolarHBondContact O-N 3.19Å; Y195-D197 VanDerWaalsContact C-N 3.29Å; Y195-D197 PolarHBondContact O-N 3.04Å; D197-Y200 PolarHBondContact O-N 3.21Å; D197-L201 VanDerWaalsContact O-CG 3.29Å; D197-L201 WeakPolarHBondContact O-CG 3.34Å; D197-L201 PolarHBondContact O-N 3.45Å
198K85.1Confident81Confident10 Ų1056.3 Ų56.34%0.04328%0.282CS..Hα-helixtrans-60.9-49.8173.2-167.9-179.5177.7-176.40111.8V187 L191 L194 Y195 V196 Y200 L201 E202 L232 D233V187-K198 HydrophobicContact CG1-CD 4.36Å; L191-K198 HydrophobicContact CD1-CB 4.27Å; L191-K198 HydrophobicContact CD1-CD 3.66Å; L194-K198 PolarHBondContact O-N 2.89Å; L194-K198 VanDerWaalsContact O-N 3.14Å; Y195-K198 WeakPolarHBondContact O-CB 3.26Å; Y195-K198 PolarHBondContact O-N 3.42Å; V196-K198 VanDerWaalsContact C-N 3.31Å; V196-K198 PolarHBondContact O-N 3.48Å; K198-Y200 VanDerWaalsContact C-N 3.27Å; K198-Y200 PolarHBondContact O-N 3.49Å; K198-L201 PolarHBondContact O-N 3.5Å; K198-E202 WeakPolarHBondContact CE-OE1 3.25Å; K198-E202 IonicContact NZ-OE1 2.64Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 3.42Å; K198-L232 HydrophobicContact CB-CD1 3.69Å; K198-L232 HydrophobicContact CG-CD1 4.15Å; K198-D233 IonicContact NZ-OD1 3.66Å; K198-D233 PolarHBondContact NZ-OD1 3.4Å
199E83.9Confident80.8Confident46 Ų4661.3 Ų61.322%0.21531%0.311CS..Hα-helixtrans-62.4-38.5179.5-167.5-167.1160.100111.2Y195 V196 E202 K203Y195-E199 PolarHBondContact O-N 2.9Å; V196-E199 PolarHBondContact O-N 2.89Å; E199-E202 PolarHBondContact O-N 2.93Å; E199-K203 HydrophobicContact CG-CD 4.41Å; E199-K203 WeakPolarHBondContact O-CB 3.29Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 2.75Å; E199-K203 VanDerWaalsContact OE1-CE 3.32Å; E199-K203 WeakPolarHBondContact OE1-CE 3.5Å; E199-K203 IonicContact OE1-NZ 3.06Å; E199-K203 PolarHBondContact OE1-NZ 3.01Å
200Y83.6Confident80.5Confident60 Ų6061.1 Ų61.124%0.23531%0.312CS..Hα-helixtrans-61.4-48174.4177.2-99.2000111.9V196 D197 K198 K203 L204 F376V196-Y200 WeakPolarHBondContact O-CB 3.49Å; V196-Y200 PolarHBondContact O-N 3.31Å; D197-Y200 PolarHBondContact O-N 3.21Å; K198-Y200 VanDerWaalsContact C-N 3.27Å; K198-Y200 PolarHBondContact O-N 3.49Å; Y200-K203 PolarHBondContact O-N 2.96Å; Y200-L204 HydrophobicContact CE1-CD1 4.15Å; Y200-L204 HydrophobicContact CE2-CD1 4.45Å; Y200-L204 WeakPolarHBondContact O-CB 3.5Å; Y200-L204 PolarHBondContact O-N 2.92Å; Y200-F376 WeakPolarHBondContact OH-CE1 3.49Å; Y200-F376 WeakPolarHBondContact OH-CZ 3.32Å
201L86.4Confident80.1Confident34 Ų3462.3 Ų62.318%0.17832%0.318CS..Hα-helixtrans-64-39.9177.6-70.8173000112.4D197 K198 L204 L205 I225 I229 L232D197-L201 VanDerWaalsContact O-CG 3.29Å; D197-L201 WeakPolarHBondContact O-CG 3.34Å; D197-L201 PolarHBondContact O-N 3.45Å; K198-L201 PolarHBondContact O-N 3.5Å; L201-L204 WeakPolarHBondContact O-CB 3.41Å; L201-L204 PolarHBondContact O-N 2.64Å; L201-L205 PolarHBondContact O-N 3.33Å; L201-I225 HydrophobicContact CB-CG2 4.11Å; L201-I225 HydrophobicContact CD2-CG2 4.27Å; L201-I225 WeakPolarHBondContact O-CG2 3.27Å; L201-I229 HydrophobicContact CB-CD1 4.11Å; L201-I229 HydrophobicContact CB-CG1 3.74Å; L201-I229 HydrophobicContact CD1-CG1 4.25Å; L201-L232 HydrophobicContact CD1-CD1 4.06Å
202E86.5Confident79.6Confident89 Ų8968.2 Ų68.242%0.41634%0.343SS..Hα-helixtrans-64.3-39.2175.5-74176.8170.600111.8K198 E199 L205 I229K198-E202 WeakPolarHBondContact CE-OE1 3.25Å; K198-E202 IonicContact NZ-OE1 2.64Å; K198-E202 WeakPolarHBondContact O-CG 3.36Å; K198-E202 PolarHBondContact O-N 3.42Å; E199-E202 PolarHBondContact O-N 2.93Å; E202-L205 WeakPolarHBondContact O-CB 3.26Å; E202-L205 PolarHBondContact O-N 2.82Å; E202-I229 HydrophobicContact CG-CD1 4.05Å
203K85.6Confident78.9Confident118 Ų11867.9 Ų67.951%0.51334%0.34SS..Hα-helixtrans-66.4-38.8173-77.9170.6171.9167.60112.2E199 Y200 L205 L206E199-K203 HydrophobicContact CG-CD 4.41Å; E199-K203 WeakPolarHBondContact O-CB 3.29Å; E199-K203 WeakPolarHBondContact O-CG 3.34Å; E199-K203 PolarHBondContact O-N 2.75Å; E199-K203 VanDerWaalsContact OE1-CE 3.32Å; E199-K203 WeakPolarHBondContact OE1-CE 3.5Å; E199-K203 IonicContact OE1-NZ 3.06Å; E199-K203 PolarHBondContact OE1-NZ 3.01Å; Y200-K203 PolarHBondContact O-N 2.96Å; K203-L205 PolarHBondContact O-N 3.09Å; K203-L206 WeakPolarHBondContact O-CB 3.44Å; K203-L206 PolarHBondContact O-N 2.97Å
204L83.4Confident78.7Confident37 Ų3769 Ų6919%0.19435%0.352CS..Hα-helixtrans-61.5-31.1177.8-147.883.2000111.9Y200 L201 L206 D207 L210 I225Y200-L204 HydrophobicContact CE1-CD1 4.15Å; Y200-L204 HydrophobicContact CE2-CD1 4.45Å; Y200-L204 WeakPolarHBondContact O-CB 3.5Å; Y200-L204 PolarHBondContact O-N 2.92Å; L201-L204 WeakPolarHBondContact O-CB 3.41Å; L201-L204 PolarHBondContact O-N 2.64Å; L204-L206 PolarHBondContact O-N 3.31Å; L204-D207 PolarHBondContact O-N 3.38Å; L204-L210 HydrophobicContact CD1-CD2 3.98Å; L204-L210 HydrophobicContact CD2-CD2 3.6Å; L204-L210 HydrophobicContact CG-CD2 3.49Å; L204-L210 VanDerWaalsContact CG-CD2 3.49Å; L204-I225 HydrophobicContact CB-CD1 4.28Å; L204-I225 HydrophobicContact CD2-CD1 3.65Å; L204-I225 HydrophobicContact CD2-CG1 3.84Å; L204-I225 HydrophobicContact CG-CD1 4.23Å
205L82.4Confident78.2Confident35 Ų3570.7 Ų70.718%0.18336%0.36CS..THydrogen-bonded Turntrans-72.6-10.1177.5-157.8132.3000113.6W177 L201 E202 K203 I211 I225 M226 I229W177-L205 HydrophobicContact CH2-CD2 3.95Å; L201-L205 PolarHBondContact O-N 3.33Å; E202-L205 WeakPolarHBondContact O-CB 3.26Å; E202-L205 PolarHBondContact O-N 2.82Å; K203-L205 PolarHBondContact O-N 3.09Å; L205-I211 HydrophobicContact CG-CD1 4.34Å; L205-I211 WeakPolarHBondContact O-CD1 3.4Å; L205-I225 HydrophobicContact CB-CG2 4.48Å; L205-I225 HydrophobicContact CD1-CG2 4.06Å; L205-M226 HydrophobicContact CD1-CG 4.12Å; L205-M226 HydrophobicContact CD1-SD 3.5Å; L205-M226 WeakPolarHBondContact CD1-SD 3.39Å; L205-I229 HydrophobicContact CD1-CD1 4.42Å
206L82.4Confident76.9Confident143 Ų14380.3 Ų80.375%0.74940%0.402SS*.THydrogen-bonded Turntrans-86.3-11174-60.3172.9000112.5K203 L204 E208K203-L206 WeakPolarHBondContact O-CB 3.44Å; K203-L206 PolarHBondContact O-N 2.97Å; L204-L206 PolarHBondContact O-N 3.31Å; L206-E208 PolarHBondContact O-N 3.46Å
207D81.1Confident76.3Confident81 Ų8183 Ų8343%0.43343%0.434SS..  trans-87.495.8179.8-164.6-24.1000110.6L204 D209 L210 I211L204-D207 PolarHBondContact O-N 3.38Å; D207-D209 PolarHBondContact O-N 3.19Å; D207-D209 PolarHBondContact OD1-N 2.88Å; D207-L210 HydrophobicContact CB-CB 4.14Å; D207-L210 PolarHBondContact O-N 3.43Å; D207-I211 WeakPolarHBondContact O-CG1 3.41Å; D207-I211 PolarHBondContact O-N 3.32Å
208E75.6Confident75.7Confident128 Ų12883.4 Ų83.460%0.59845%0.451SS*.Hα-helixtrans-60.5-28.9-178.8-79-159-16300113.8L206 K212L206-E208 PolarHBondContact O-N 3.46Å; E208-K212 WeakPolarHBondContact O-CD 3.45Å; E208-K212 WeakPolarHBondContact O-CG 3.22Å; E208-K212 PolarHBondContact O-N 3.12Å; E208-K212 IonicContact OE2-NZ 2.84Å; E208-K212 PolarHBondContact OE2-NZ 2.91Å
209D73.8Confident74.9Confident136 Ų13688.3 Ų88.373%0.72748%0.477SS*.Hα-helixtrans-74.9-34.2-177.3-71.2-23.1000110.8D207D207-D209 PolarHBondContact O-N 3.19Å; D207-D209 PolarHBondContact OD1-N 2.88Å
210L72.4Confident74.8Confident65 Ų6588 Ų8834%0.3448%0.477SS..Hα-helixtrans-73.8-39.3176.4-17072.2000112.3L204 D207 K212 G213 V221L204-L210 HydrophobicContact CD1-CD2 3.98Å; L204-L210 HydrophobicContact CD2-CD2 3.6Å; L204-L210 HydrophobicContact CG-CD2 3.49Å; L204-L210 VanDerWaalsContact CG-CD2 3.49Å; D207-L210 HydrophobicContact CB-CB 4.14Å; D207-L210 PolarHBondContact O-N 3.43Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.23Å; L210-G213 PolarHBondContact O-N 3.04Å; L210-G213 VanDerWaalsContact O-N 3.15Å; L210-V221 HydrophobicContact CD2-CG1 4.25Å; L210-V221 HydrophobicContact CG-CG1 4.05Å
211I72.5Confident74.6Confident35 Ų3586.3 Ų86.318%0.17947%0.474CS..Hα-helixtrans-62.5-37.4-179.7-75.1165.8000112L205 D207 G213 E222L205-I211 HydrophobicContact CG-CD1 4.34Å; L205-I211 WeakPolarHBondContact O-CD1 3.4Å; D207-I211 WeakPolarHBondContact O-CG1 3.41Å; D207-I211 PolarHBondContact O-N 3.32Å; I211-G213 PolarHBondContact O-N 3.11Å; I211-E222 HydrophobicContact CG2-CB 4.16Å; I211-E222 HydrophobicContact CG2-CG 4.44Å
212K68Low74.4Confident135 Ų13588.5 Ų88.559%0.58748%0.483SS*.THydrogen-bonded Turntrans-72.4-10.3179.7-68.1166.4-168157.20113E208 L210 T214E208-K212 WeakPolarHBondContact O-CD 3.45Å; E208-K212 WeakPolarHBondContact O-CG 3.22Å; E208-K212 PolarHBondContact O-N 3.12Å; E208-K212 IonicContact OE2-NZ 2.84Å; E208-K212 PolarHBondContact OE2-NZ 2.91Å; L210-K212 VanDerWaalsContact C-N 3.31Å; L210-K212 PolarHBondContact O-N 3.23Å; K212-T214 PolarHBondContact O-N 3.22Å
213G66.4Low74.3Confident31 Ų3187.9 Ų87.932%0.3248%0.483SS..PPolyproline II helixtrans-72118178.500000112.9L210 I211L210-G213 PolarHBondContact O-N 3.04Å; L210-G213 VanDerWaalsContact O-N 3.15Å; I211-G213 PolarHBondContact O-N 3.11Å
214T64.4Low74.2Confident109 Ų10987.8 Ų87.867%0.66949%0.487SS*.BIsolated β-bridgetrans-89.9126.4173.3-39.90000110.5K212K212-T214 PolarHBondContact O-N 3.22Å
215M67.5Low74.3Confident101 Ų10186.3 Ų86.350%0.49848%0.479SS..PPolyproline II helixtrans-85.9162.3175.3-65.1-129.7-76.800111.9G217 G218 L219 V221M215-G217 PolarHBondContact O-N 3.4Å; M215-G217 VanDerWaalsContact O-N 3.12Å; M215-G218 PolarHBondContact O-N 3.24Å; M215-L219 PolarHBondContact N-O 3.37Å; M215-V221 HydrophobicContact CG-CG2 3.79Å; M215-V221 HydrophobicContact SD-CG2 4.39Å
216K57.9Low74.4Confident221 Ų22187.7 Ų87.796%0.96149%0.486SS*.THydrogen-bonded Turntrans-60.7116.6174-70.9-176.4-179.9178.60109.2
217G61.9Low74.7Confident77 Ų7785.3 Ų85.379%0.79448%0.477SS*.THydrogen-bonded Turntrans116.32.7-179.400000115.4M215 L219M215-G217 PolarHBondContact O-N 3.4Å; M215-G217 VanDerWaalsContact O-N 3.12Å; G217-L219 VanDerWaalsContact C-N 3.25Å; G217-L219 PolarHBondContact O-N 2.85Å
218G68Low75Confident61 Ų6182.5 Ų82.563%0.62947%0.467SS*.SBendtrans80.40.5174.800000114.9M215M215-G218 PolarHBondContact O-N 3.24Å
219L70.4Confident75.5Confident113 Ų11377.4 Ų77.459%0.59244%0.444SS*.  trans-78.6130168.5-69.1165.5000109.1M215 G217M215-L219 PolarHBondContact N-O 3.37Å; G217-L219 VanDerWaalsContact C-N 3.25Å; G217-L219 PolarHBondContact O-N 2.85Å
220T80.7Confident76.2Confident38 Ų3875.8 Ų75.823%0.23344%0.435CS..BIsolated β-bridgetrans-81.9154.517266.90000109.9E222 D223 L224T220-E222 PolarHBondContact O-N 3.28Å; T220-D223 PolarHBondContact N-OD2 3.45Å; T220-D223 VanDerWaalsContact N-OD2 3.16Å; T220-D223 PolarHBondContact O-N 3.06Å; T220-D223 PolarHBondContact OG1-N 3.25Å; T220-D223 VanDerWaalsContact OG1-N 3.1Å; T220-D223 PolarHBondContact OG1-OD2 3.45Å; T220-L224 PolarHBondContact O-N 2.88Å
221V79.6Confident77Confident25 Ų2579.4 Ų79.415%0.15245%0.445CS..Hα-helixtrans-62.4-33.6173.21790000110.2L210 M215 D223 L224 I225L210-V221 HydrophobicContact CD2-CG1 4.25Å; L210-V221 HydrophobicContact CG-CG1 4.05Å; M215-V221 HydrophobicContact CG-CG2 3.79Å; M215-V221 HydrophobicContact SD-CG2 4.39Å; V221-D223 PolarHBondContact O-N 3.37Å; V221-L224 PolarHBondContact O-N 3.14Å; V221-I225 HydrophobicContact CG1-CD1 4.02Å; V221-I225 HydrophobicContact CG1-CG1 4.42Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.4Å; V221-I225 PolarHBondContact O-N 2.99Å; V221-I225 VanDerWaalsContact O-N 3.1Å
222E82.5Confident77.6Confident81 Ų8178.2 Ų78.238%0.37944%0.439SS..Hα-helixtrans-56.1-47173-173.1-178.9179.800112.4I211 T220 L224 I225 M226I211-E222 HydrophobicContact CG2-CB 4.16Å; I211-E222 HydrophobicContact CG2-CG 4.44Å; T220-E222 PolarHBondContact O-N 3.28Å; E222-L224 PolarHBondContact O-N 2.87Å; E222-I225 PolarHBondContact O-N 3.39Å; E222-M226 HydrophobicContact CG-CG 4.29Å; E222-M226 WeakPolarHBondContact O-CB 3.29Å; E222-M226 WeakPolarHBondContact O-CG 3.41Å; E222-M226 PolarHBondContact O-N 3.34Å
223D83.1Confident78.4Confident76 Ų7673.5 Ų73.541%0.40642%0.42SS..Hα-helixtrans-59-38.2179.4-66-45.9000111.8T220 V221 T227T220-D223 PolarHBondContact N-OD2 3.45Å; T220-D223 VanDerWaalsContact N-OD2 3.16Å; T220-D223 PolarHBondContact O-N 3.06Å; T220-D223 PolarHBondContact OG1-N 3.25Å; T220-D223 VanDerWaalsContact OG1-N 3.1Å; T220-D223 PolarHBondContact OG1-OD2 3.45Å; V221-D223 PolarHBondContact O-N 3.37Å; D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.23Å; D223-T227 PolarHBondContact O-N 3.04Å; D223-T227 PolarHBondContact O-OG1 3.43Å
224L84.9Confident79.2Confident115 Ų11575.3 Ų75.360%0.60243%0.426SS*.Hα-helixtrans-70.1-45.1-179.9-163.574.5000111.3T220 V221 E222 T227 G228T220-L224 PolarHBondContact O-N 2.88Å; V221-L224 PolarHBondContact O-N 3.14Å; E222-L224 PolarHBondContact O-N 2.87Å; L224-T227 PolarHBondContact O-N 3.48Å; L224-G228 PolarHBondContact O-N 3.29Å
225I85Confident79.9Confident6 Ų672.6 Ų72.63%0.03141%0.405CS..Hα-helixtrans-60-48.8175.7-62162.9000109.7L201 L204 L205 V221 E222 T227 G228 I229L201-I225 HydrophobicContact CB-CG2 4.11Å; L201-I225 HydrophobicContact CD2-CG2 4.27Å; L201-I225 WeakPolarHBondContact O-CG2 3.27Å; L204-I225 HydrophobicContact CB-CD1 4.28Å; L204-I225 HydrophobicContact CD2-CD1 3.65Å; L204-I225 HydrophobicContact CD2-CG1 3.84Å; L204-I225 HydrophobicContact CG-CD1 4.23Å; L205-I225 HydrophobicContact CB-CG2 4.48Å; L205-I225 HydrophobicContact CD1-CG2 4.06Å; V221-I225 HydrophobicContact CG1-CD1 4.02Å; V221-I225 HydrophobicContact CG1-CG1 4.42Å; V221-I225 VanDerWaalsContact O-CG1 3.31Å; V221-I225 WeakPolarHBondContact O-CG1 3.4Å; V221-I225 PolarHBondContact O-N 2.99Å; V221-I225 VanDerWaalsContact O-N 3.1Å; E222-I225 PolarHBondContact O-N 3.39Å; I225-T227 VanDerWaalsContact C-N 3.3Å; I225-T227 PolarHBondContact O-N 3.19Å; I225-G228 PolarHBondContact O-N 3.43Å; I225-G228 VanDerWaalsContact O-N 3.11Å; I225-I229 HydrophobicContact CG2-CD1 3.82Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.48Å; I225-I229 PolarHBondContact O-N 3.2Å
226M85.1Confident80.6Confident65 Ų6568 Ų6832%0.3238%0.383SS..Hα-helixtrans-63.4-36.6-180-74-59.2-66.100112.2W177 L205 E222 N230W177-M226 HydrophobicContact CZ2-CE 4.08Å; W177-M226 HydrophobicContact CZ2-SD 4.4Å; L205-M226 HydrophobicContact CD1-CG 4.12Å; L205-M226 HydrophobicContact CD1-SD 3.5Å; L205-M226 WeakPolarHBondContact CD1-SD 3.39Å; E222-M226 HydrophobicContact CG-CG 4.29Å; E222-M226 WeakPolarHBondContact O-CB 3.29Å; E222-M226 WeakPolarHBondContact O-CG 3.41Å; E222-M226 PolarHBondContact O-N 3.34Å; M226-N230 WeakPolarHBondContact O-CB 3.49Å; M226-N230 PolarHBondContact O-N 3.01Å
227T87.3Confident81.5Confident93 Ų9360.8 Ų60.857%0.57136%0.355SS*.Hα-helixtrans-63.8-43.2173.1-58.90000111.1D223 L224 I225 N230 Y231D223-T227 VanDerWaalsContact O-CB 3.31Å; D223-T227 WeakPolarHBondContact O-CB 3.23Å; D223-T227 PolarHBondContact O-N 3.04Å; D223-T227 PolarHBondContact O-OG1 3.43Å; L224-T227 PolarHBondContact O-N 3.48Å; I225-T227 VanDerWaalsContact C-N 3.3Å; I225-T227 PolarHBondContact O-N 3.19Å; T227-N230 PolarHBondContact O-N 3.39Å; T227-Y231 WeakPolarHBondContact O-CB 3.41Å; T227-Y231 PolarHBondContact O-N 2.91Å
228G87.4Confident82.5Confident22 Ų2262 Ų6223%0.22734%0.338CS..Hα-helixtrans-63.3-46.7175.700000113.1L224 I225 N230 Y231 L232L224-G228 PolarHBondContact O-N 3.29Å; I225-G228 PolarHBondContact O-N 3.43Å; I225-G228 VanDerWaalsContact O-N 3.11Å; G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 3.14Å; G228-Y231 WeakPolarHBondContact O-CB 3.45Å; G228-Y231 PolarHBondContact O-N 2.86Å; G228-L232 WeakPolarHBondContact O-CG 2.97Å; G228-L232 PolarHBondContact O-N 3.35Å
229I87.8Confident82.7Confident20 Ų2062.9 Ų62.910%0.10332%0.323CS..Hα-helixtrans-62.1-43.5176.1-66.2172.5000110.4L201 E202 L205 I225 Y231 L232 D233L201-I229 HydrophobicContact CB-CD1 4.11Å; L201-I229 HydrophobicContact CB-CG1 3.74Å; L201-I229 HydrophobicContact CD1-CG1 4.25Å; E202-I229 HydrophobicContact CG-CD1 4.05Å; L205-I229 HydrophobicContact CD1-CD1 4.42Å; I225-I229 HydrophobicContact CG2-CD1 3.82Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.48Å; I225-I229 PolarHBondContact O-N 3.2Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 2.95Å; I229-L232 PolarHBondContact O-N 2.89Å; I229-D233 WeakPolarHBondContact O-CB 3.45Å; I229-D233 PolarHBondContact O-N 3.09Å
230N87.3Confident83Confident103 Ų10364.8 Ų64.855%0.55132%0.322SS*.Hα-helixtrans-63.7-38.4177.4-175.256.1000111.9M226 T227 G228 D233 T234M226-N230 WeakPolarHBondContact O-CB 3.49Å; M226-N230 PolarHBondContact O-N 3.01Å; T227-N230 PolarHBondContact O-N 3.39Å; G228-N230 VanDerWaalsContact C-N 3.34Å; G228-N230 PolarHBondContact O-N 3.14Å; N230-D233 PolarHBondContact O-N 3.33Å; N230-T234 WeakPolarHBondContact O-CB 3.5Å; N230-T234 VanDerWaalsContact O-CG2 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.45Å; N230-T234 PolarHBondContact O-N 2.96Å; N230-T234 PolarHBondContact O-OG1 3.42Å
231Y89.1Confident82.7Confident140 Ų14070.7 Ų70.755%0.54935%0.347SS..Hα-helixtrans-59.8-47.5172.1176.7-96.2000111.5T227 G228 I229 D233 T234 H235T227-Y231 WeakPolarHBondContact O-CB 3.41Å; T227-Y231 PolarHBondContact O-N 2.91Å; G228-Y231 WeakPolarHBondContact O-CB 3.45Å; G228-Y231 PolarHBondContact O-N 2.86Å; I229-Y231 VanDerWaalsContact C-N 3.33Å; I229-Y231 PolarHBondContact O-N 2.95Å; Y231-D233 PolarHBondContact O-N 3.33Å; Y231-T234 WeakPolarHBondContact CA-OG1 3.37Å; Y231-T234 PolarHBondContact O-N 2.89Å; Y231-T234 PolarHBondContact O-OG1 3.5Å; Y231-H235 VanDerWaalsContact O-CB 3.28Å; Y231-H235 WeakPolarHBondContact O-CB 3.4Å; Y231-H235 PolarHBondContact O-N 2.9Å
232L86.6Confident82.3Confident10 Ų1074.8 Ų74.85%0.05237%0.365CS..Hα-helixtrans-65.7-38.9178.8-65.7171.2000112.2L191 L194 K198 L201 G228 I229 H235 S236L191-L232 HydrophobicContact CD1-CB 4.49Å; L191-L232 HydrophobicContact CD2-CB 4.45Å; L191-L232 HydrophobicContact CD2-CD2 4.37Å; L194-L232 HydrophobicContact CB-CD2 4.02Å; L194-L232 HydrophobicContact CD1-CD2 4.35Å; K198-L232 HydrophobicContact CB-CD1 3.69Å; K198-L232 HydrophobicContact CG-CD1 4.15Å; L201-L232 HydrophobicContact CD1-CD1 4.06Å; G228-L232 WeakPolarHBondContact O-CG 2.97Å; G228-L232 PolarHBondContact O-N 3.35Å; I229-L232 PolarHBondContact O-N 2.89Å; L232-H235 PolarHBondContact O-N 3.33Å; L232-S236 WeakPolarHBondContact O-CB 3.48Å; L232-S236 PolarHBondContact O-N 3.45Å
233D83.5Confident81.7Confident36 Ų3675 Ų7519%0.19336%0.364CS..Hα-helixtrans-68.4-42.5177.2-99.2-3.8000112.6K182 K198 I229 N230 Y231 H235 S236 N237K182-D233 IonicContact NZ-OD1 3.45Å; K182-D233 PolarHBondContact NZ-OD1 2.92Å; K182-D233 IonicContact NZ-OD2 3.5Å; K182-D233 PolarHBondContact NZ-OD2 3.46Å; K198-D233 IonicContact NZ-OD1 3.66Å; K198-D233 PolarHBondContact NZ-OD1 3.4Å; I229-D233 WeakPolarHBondContact O-CB 3.45Å; I229-D233 PolarHBondContact O-N 3.09Å; N230-D233 PolarHBondContact O-N 3.33Å; Y231-D233 PolarHBondContact O-N 3.33Å; D233-H235 VanDerWaalsContact C-N 3.32Å; D233-S236 PolarHBondContact O-N 3.21Å; D233-N237 WeakPolarHBondContact O-CB 3.45Å; D233-N237 VanDerWaalsContact O-CG 3.24Å; D233-N237 PolarHBondContact O-N 2.99Å; D233-N237 PolarHBondContact O-ND2 2.97Å; D233-N237 VanDerWaalsContact O-ND2 3.15Å
234T82.9Confident81.4Confident70 Ų7072.5 Ų72.543%0.42935%0.352SS..Hα-helixtrans-63.7-40.1173.952.60000111.1N230 Y231 N237 F238N230-T234 WeakPolarHBondContact O-CB 3.5Å; N230-T234 VanDerWaalsContact O-CG2 3.25Å; N230-T234 WeakPolarHBondContact O-CG2 3.45Å; N230-T234 PolarHBondContact O-N 2.96Å; N230-T234 PolarHBondContact O-OG1 3.42Å; Y231-T234 WeakPolarHBondContact CA-OG1 3.37Å; Y231-T234 PolarHBondContact O-N 2.89Å; Y231-T234 PolarHBondContact O-OG1 3.5Å; T234-N237 PolarHBondContact O-N 3.34Å; T234-F238 VanDerWaalsContact O-CB 3.32Å; T234-F238 WeakPolarHBondContact O-CB 3.33Å; T234-F238 PolarHBondContact O-N 3.21Å
235H80Confident80.6Confident52 Ų5268.9 Ų68.924%0.24133%0.333CS..Hα-helixtrans-63.2-47.5175.2-159.572.1000112.2Y231 L232 D233 N237 F238 W239Y231-H235 VanDerWaalsContact O-CB 3.28Å; Y231-H235 WeakPolarHBondContact O-CB 3.4Å; Y231-H235 PolarHBondContact O-N 2.9Å; L232-H235 PolarHBondContact O-N 3.33Å; D233-H235 VanDerWaalsContact C-N 3.32Å; H235-N237 VanDerWaalsContact C-N 3.31Å; H235-N237 PolarHBondContact O-N 3.34Å; H235-F238 PolarHBondContact O-N 2.9Å; H235-W239 AromaticContact CD2-CD1 3.48Å; H235-W239 VanDerWaalsContact CD2-CD1 3.48Å; H235-W239 AromaticContact CD2-NE1 3.37Å; H235-W239 PolarHBondContact CD2-NE1 2.92Å; H235-W239 AromaticContact CE1-CD1 3.99Å; H235-W239 AromaticContact CE1-NE1 3.24Å; H235-W239 PolarHBondContact CE1-NE1 3.4Å; H235-W239 AromaticContact CG-CD1 3.95Å; H235-W239 AromaticContact CG-NE1 3.95Å; H235-W239 AromaticContact ND1-NE1 3.88Å; H235-W239 AromaticContact NE2-CD1 3.51Å; H235-W239 AromaticContact NE2-CE2 4Å; H235-W239 AromaticContact NE2-NE1 2.85Å; H235-W239 PolarHBondContact NE2-NE1 3Å; H235-W239 PolarHBondContact O-N 3.08Å
236S81.1Confident79.8Confident3 Ų375 Ų752%0.02136%0.356CS..Hα-helixtrans-56.9-44.6174168.20000111.6L232 D233 R240L232-S236 WeakPolarHBondContact O-CB 3.48Å; L232-S236 PolarHBondContact O-N 3.45Å; D233-S236 PolarHBondContact O-N 3.21Å; S236-R240 WeakPolarHBondContact O-CB 3.42Å; S236-R240 PolarHBondContact O-N 3.47Å
237N78.4Confident79Confident71 Ų7173 Ų7338%0.3835%0.351SS..Hα-helixtrans-68.2-42.4179.7-73.8-30.2000112.5D233 T234 H235 W239 R240 Q241D233-N237 WeakPolarHBondContact O-CB 3.45Å; D233-N237 VanDerWaalsContact O-CG 3.24Å; D233-N237 PolarHBondContact O-N 2.99Å; D233-N237 PolarHBondContact O-ND2 2.97Å; D233-N237 VanDerWaalsContact O-ND2 3.15Å; T234-N237 PolarHBondContact O-N 3.34Å; H235-N237 VanDerWaalsContact C-N 3.31Å; H235-N237 PolarHBondContact O-N 3.34Å; N237-W239 VanDerWaalsContact C-N 3.35Å; N237-W239 PolarHBondContact O-N 2.64Å; N237-R240 WeakPolarHBondContact O-CB 3.28Å; N237-R240 PolarHBondContact O-N 3.23Å; N237-Q241 WeakPolarHBondContact O-CG 3.06Å; N237-Q241 PolarHBondContact O-N 3.09Å
238F81.9Confident78.1Confident102 Ų10271.7 Ų71.745%0.44734%0.335SS..Hα-helixtrans-56.2-50.1174.5173.5-96.6000110.9T234 H235 R240 Q241 Q242T234-F238 VanDerWaalsContact O-CB 3.32Å; T234-F238 WeakPolarHBondContact O-CB 3.33Å; T234-F238 PolarHBondContact O-N 3.21Å; H235-F238 PolarHBondContact O-N 2.9Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.23Å; F238-Q241 PolarHBondContact O-N 3.29Å; F238-Q242 VanDerWaalsContact CZ-OE1 3.3Å; F238-Q242 WeakPolarHBondContact O-CB 3.45Å; F238-Q242 PolarHBondContact O-N 3.43Å
239W72.7Confident77.2Confident79 Ų7975.5 Ų75.530%0.29935%0.347SS..Hα-helixtrans-65.5-32.9177.9-80.8121.5000113.6L190 H235 N237 Q241 K243L190-W239 HydrophobicContact CD2-CB 4.31Å; H235-W239 AromaticContact CD2-CD1 3.48Å; H235-W239 VanDerWaalsContact CD2-CD1 3.48Å; H235-W239 AromaticContact CD2-NE1 3.37Å; H235-W239 PolarHBondContact CD2-NE1 2.92Å; H235-W239 AromaticContact CE1-CD1 3.99Å; H235-W239 AromaticContact CE1-NE1 3.24Å; H235-W239 PolarHBondContact CE1-NE1 3.4Å; H235-W239 AromaticContact CG-CD1 3.95Å; H235-W239 AromaticContact CG-NE1 3.95Å; H235-W239 AromaticContact ND1-NE1 3.88Å; H235-W239 AromaticContact NE2-CD1 3.51Å; H235-W239 AromaticContact NE2-CE2 4Å; H235-W239 AromaticContact NE2-NE1 2.85Å; H235-W239 PolarHBondContact NE2-NE1 3Å; H235-W239 PolarHBondContact O-N 3.08Å; N237-W239 VanDerWaalsContact C-N 3.35Å; N237-W239 PolarHBondContact O-N 2.64Å; W239-Q241 VanDerWaalsContact C-N 3.34Å; W239-K243 CarbonylContact O-C 3.4Å; W239-K243 VanDerWaalsContact O-CA 3.32Å; W239-K243 WeakPolarHBondContact O-CA 3.47Å; W239-K243 PolarHBondContact O-N 3.24Å
240R76Confident76.3Confident154 Ų15480.3 Ų80.358%0.58136%0.364SS*.Hα-helixtrans-65.7-38.3174.1-168179.9-160.5-1262112L190 S236 N237 F238 P244L190-R240 HydrophobicContact CD1-CB 4.05Å; L190-R240 HydrophobicContact CD1-CG 4.37Å; S236-R240 WeakPolarHBondContact O-CB 3.42Å; S236-R240 PolarHBondContact O-N 3.47Å; N237-R240 WeakPolarHBondContact O-CB 3.28Å; N237-R240 PolarHBondContact O-N 3.23Å; F238-R240 VanDerWaalsContact C-N 3.31Å; F238-R240 PolarHBondContact O-N 3.23Å; R240-P244 WeakPolarHBondContact O-CA 3.29Å; R240-P244 WeakPolarHBondContact O-CD 3.44Å; R240-P244 VanDerWaalsContact O-CG 3.26Å; R240-P244 WeakPolarHBondContact O-CG 3.48Å
241Q74.8Confident75.5Confident161 Ų16178.7 Ų78.775%0.75236%0.355SS*.Hα-helixtrans-74.2-44.4177.8-70.6174.3-000111.6N237 F238 W239N237-Q241 WeakPolarHBondContact O-CG 3.06Å; N237-Q241 PolarHBondContact O-N 3.09Å; F238-Q241 PolarHBondContact O-N 3.29Å; W239-Q241 VanDerWaalsContact C-N 3.34Å
242Q71.2Confident74.5Confident112 Ų11275.8 Ų75.852%0.52334%0.343SS..Hα-helixtrans-77.1-40.2-177-163.8-177.929.800112.6F238F238-Q242 VanDerWaalsContact CZ-OE1 3.3Å; F238-Q242 WeakPolarHBondContact O-CB 3.45Å; F238-Q242 PolarHBondContact O-N 3.43Å
243K70.5Confident73.8Confident86 Ų8681.7 Ų81.737%0.37437%0.368SS..SBendtrans-141.380.3179.2-73.2-160.6173-148.90111.7W239 R248 D251W239-K243 CarbonylContact O-C 3.4Å; W239-K243 VanDerWaalsContact O-CA 3.32Å; W239-K243 WeakPolarHBondContact O-CA 3.47Å; W239-K243 PolarHBondContact O-N 3.24Å; K243-R248 HydrophobicContact CB-CG 4.18Å; K243-R248 PolarHBondContact O-NE 3.34Å; K243-D251 IonicContact NZ-OD2 2.74Å; K243-D251 PolarHBondContact NZ-OD2 3.45Å
244P75.5Confident73.1Confident23 Ų2383.6 Ų83.615%0.14938%0.378CS..  trans-53.6156.2173.2-21.729.7000112.6R240 Y246 A247 R248R240-P244 WeakPolarHBondContact O-CA 3.29Å; R240-P244 WeakPolarHBondContact O-CD 3.44Å; R240-P244 VanDerWaalsContact O-CG 3.26Å; R240-P244 WeakPolarHBondContact O-CG 3.48Å; P244-Y246 VanDerWaalsContact C-N 3.26Å; P244-Y246 HydrophobicContact CB-CD1 3.6Å; P244-Y246 HydrophobicContact CB-CD2 4.41Å; P244-Y246 HydrophobicContact CB-CE1 3.19Å; P244-Y246 HydrophobicContact CB-CE2 4.05Å; P244-Y246 HydrophobicContact CB-CG 4.2Å; P244-Y246 VanDerWaalsContact CB-CZ 3.45Å; P244-Y246 HydrophobicContact CG-CE1 3.77Å; P244-Y246 HydrophobicContact CG-CE2 4.17Å; P244-Y246 WeakPolarHBondContact CG-OH 3.37Å; P244-Y246 PolarHBondContact O-N 3.11Å; P244-A247 WeakPolarHBondContact O-CA 2.97Å; P244-A247 WeakPolarHBondContact O-CB 3.32Å; P244-A247 PolarHBondContact O-N 3.39Å; P244-R248 PolarHBondContact O-N 2.89Å
245I69.4Low72.1Confident38 Ų3887.2 Ų87.220%0.19539%0.392CS..Hα-helixtrans-53.3-43.1-177.7-67.4179.5000112T186 A247 R248 E249T186-I245 HydrophobicContact CG2-CD1 3.33Å; T186-I245 HydrophobicContact CG2-CG1 4.37Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.35Å; I245-R248 WeakPolarHBondContact O-CB 3.43Å; I245-R248 PolarHBondContact O-N 2.96Å; I245-R248 VanDerWaalsContact O-N 3.14Å; I245-E249 HydrophobicContact CG2-CG 4.42Å; I245-E249 PolarHBondContact O-N 3.31Å
246Y66.7Low71.2Confident134 Ų13488.6 Ų88.653%0.52540%0.399SS..Hα-helixtrans-62.1-34.717861.3-102000112.9P244 R250P244-Y246 VanDerWaalsContact C-N 3.26Å; P244-Y246 HydrophobicContact CB-CD1 3.6Å; P244-Y246 HydrophobicContact CB-CD2 4.41Å; P244-Y246 HydrophobicContact CB-CE1 3.19Å; P244-Y246 HydrophobicContact CB-CE2 4.05Å; P244-Y246 HydrophobicContact CB-CG 4.2Å; P244-Y246 VanDerWaalsContact CB-CZ 3.45Å; P244-Y246 HydrophobicContact CG-CE1 3.77Å; P244-Y246 HydrophobicContact CG-CE2 4.17Å; P244-Y246 WeakPolarHBondContact CG-OH 3.37Å; P244-Y246 PolarHBondContact O-N 3.11Å; Y246-R250 WeakPolarHBondContact O-CB 3.21Å; Y246-R250 PolarHBondContact O-N 2.98Å
247A69.3Low70.3Confident24 Ų2492.9 Ų92.920%0.19842%0.418CS..Hα-helixtrans-71.2-37.8176.900000110.6P244 I245 R250 D251P244-A247 WeakPolarHBondContact O-CA 2.97Å; P244-A247 WeakPolarHBondContact O-CB 3.32Å; P244-A247 PolarHBondContact O-N 3.39Å; I245-A247 VanDerWaalsContact C-N 3.28Å; I245-A247 PolarHBondContact O-N 3.35Å; A247-R250 PolarHBondContact O-N 2.86Å; A247-D251 WeakPolarHBondContact O-CB 3.43Å; A247-D251 PolarHBondContact O-N 3.11Å
248R68.1Low69.4Low66 Ų6695.4 Ų95.425%0.24943%0.426CS..Hα-helixtrans-65.6-44.1175-63.5178.2179-133.7-9.3112.2K243 P244 I245 R250 D251 R252K243-R248 HydrophobicContact CB-CG 4.18Å; K243-R248 PolarHBondContact O-NE 3.34Å; P244-R248 PolarHBondContact O-N 2.89Å; I245-R248 WeakPolarHBondContact O-CB 3.43Å; I245-R248 PolarHBondContact O-N 2.96Å; I245-R248 VanDerWaalsContact O-N 3.14Å; R248-R250 VanDerWaalsContact C-N 3.29Å; R248-R250 PolarHBondContact O-N 3.45Å; R248-D251 PolarHBondContact O-N 3.11Å; R248-R252 WeakPolarHBondContact O-CB 3.34Å; R248-R252 PolarHBondContact O-N 3.18Å
249E68.2Low68Low102 Ų10294.2 Ų94.248%0.47742%0.418SS..Hα-helixtrans-61.9-39.3175.2-74.4-178.3-177.400111.8I245 R252 K253I245-E249 HydrophobicContact CG2-CG 4.42Å; I245-E249 PolarHBondContact O-N 3.31Å; E249-R252 WeakPolarHBondContact O-CB 3.41Å; E249-R252 PolarHBondContact O-N 3.02Å; E249-K253 WeakPolarHBondContact O-CG 3.45Å; E249-K253 PolarHBondContact O-N 3.01Å
250R69.9Low67.2Low121 Ų12195.5 Ų95.546%0.45743%0.431SS..Hα-helixtrans-69.6-46.1176-165-169.7-150.1174.28.4112.2N129 Y246 A247 R248 R252 K253 L254N129-R250 VanDerWaalsContact CG-NH1 3.29Å; N129-R250 PolarHBondContact OD1-NH1 3.47Å; Y246-R250 WeakPolarHBondContact O-CB 3.21Å; Y246-R250 PolarHBondContact O-N 2.98Å; A247-R250 PolarHBondContact O-N 2.86Å; R248-R250 VanDerWaalsContact C-N 3.29Å; R248-R250 PolarHBondContact O-N 3.45Å; R250-R252 PolarHBondContact O-N 3.16Å; R250-K253 PolarHBondContact O-N 3.02Å; R250-K253 VanDerWaalsContact O-N 3.13Å; R250-L254 HydrophobicContact CG-CD1 4.01Å; R250-L254 HydrophobicContact CG-CG 4.33Å; R250-L254 WeakPolarHBondContact O-CB 3.17Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 3.08Å
251D69.3Low66.2Low68 Ų6896 Ų9636%0.36443%0.432SS..Hα-helixtrans-55.6-41173.8-81.5-1.2000109.9K243 A247 R248 L254 M255K243-D251 IonicContact NZ-OD2 2.74Å; K243-D251 PolarHBondContact NZ-OD2 3.45Å; A247-D251 WeakPolarHBondContact O-CB 3.43Å; A247-D251 PolarHBondContact O-N 3.11Å; R248-D251 PolarHBondContact O-N 3.11Å; D251-L254 PolarHBondContact O-N 3.41Å; D251-M255 WeakPolarHBondContact O-CB 3.4Å; D251-M255 PolarHBondContact O-N 3.37Å
252R67.8Low65Low80 Ų8093.4 Ų93.430%0.30242%0.424SS..Hα-helixtrans-62.4-46.7175.4-164.5-180-168.8167.612.4112R248 E249 R250 M255 Q256 E279R248-R252 WeakPolarHBondContact O-CB 3.34Å; R248-R252 PolarHBondContact O-N 3.18Å; E249-R252 WeakPolarHBondContact O-CB 3.41Å; E249-R252 PolarHBondContact O-N 3.02Å; R250-R252 PolarHBondContact O-N 3.16Å; R252-M255 PolarHBondContact O-N 3.07Å; R252-Q256 WeakPolarHBondContact O-CB 3.47Å; R252-Q256 WeakPolarHBondContact O-CG 3.28Å; R252-Q256 PolarHBondContact O-N 3.28Å; R252-E279 IonicContact NE-OE1 3.59Å; R252-E279 PolarHBondContact NE-OE1 2.95Å; R252-E279 VanDerWaalsContact NH2-CB 3.3Å; R252-E279 VanDerWaalsContact NH2-CG 3.3Å; R252-E279 IonicContact NH2-OE1 2.7Å
253K72.4Confident63.9Low133 Ų13393 Ų9358%0.57842%0.422SS*.Hα-helixtrans-62.9-45.1175-74.1178.9-177176.10112.2E249 R250 M255 Q256 E257E249-K253 WeakPolarHBondContact O-CG 3.45Å; E249-K253 PolarHBondContact O-N 3.01Å; R250-K253 PolarHBondContact O-N 3.02Å; R250-K253 VanDerWaalsContact O-N 3.13Å; K253-M255 VanDerWaalsContact C-N 3.35Å; K253-Q256 WeakPolarHBondContact O-CB 3.47Å; K253-Q256 PolarHBondContact O-N 3.21Å; K253-E257 WeakPolarHBondContact O-CB 3.37Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 2.98Å
254L68.7Low62.7Low77 Ų7799 Ų9940%0.40345%0.448SS..Hα-helixtrans-66.9-36.7178.5-72.7172.6000111.6R250 D251 E257 K258R250-L254 HydrophobicContact CG-CD1 4.01Å; R250-L254 HydrophobicContact CG-CG 4.33Å; R250-L254 WeakPolarHBondContact O-CB 3.17Å; R250-L254 WeakPolarHBondContact O-CG 3.46Å; R250-L254 PolarHBondContact O-N 3.08Å; D251-L254 PolarHBondContact O-N 3.41Å; L254-E257 PolarHBondContact O-N 3.32Å; L254-K258 WeakPolarHBondContact O-CA 3.41Å; L254-K258 WeakPolarHBondContact O-CB 3.29Å; L254-K258 PolarHBondContact O-N 3.44Å
255M61.9Low61.4Low145 Ų145108.2 Ų108.271%0.71448%0.48SS*.Hα-helixtrans-67.2-42.2174.2-169.3-174.6-93.100110.3D251 R252 K253 K258 W259D251-M255 WeakPolarHBondContact O-CB 3.4Å; D251-M255 PolarHBondContact O-N 3.37Å; R252-M255 PolarHBondContact O-N 3.07Å; K253-M255 VanDerWaalsContact C-N 3.35Å; M255-K258 PolarHBondContact O-N 2.95Å; M255-W259 WeakPolarHBondContact O-CB 3.43Å; M255-W259 PolarHBondContact O-N 3.3Å
256Q60.5Low60.5Low82 Ų82117.6 Ų117.638%0.38351%0.513SS..Hα-helixtrans-59.3-47.8171.2-77.5177.1-5.600111.5R252 K253 L260 E279R252-Q256 WeakPolarHBondContact O-CB 3.47Å; R252-Q256 WeakPolarHBondContact O-CG 3.28Å; R252-Q256 PolarHBondContact O-N 3.28Å; K253-Q256 WeakPolarHBondContact O-CB 3.47Å; K253-Q256 PolarHBondContact O-N 3.21Å; Q256-L260 WeakPolarHBondContact O-CB 3.41Å; Q256-L260 WeakPolarHBondContact O-CD1 3.32Å; Q256-L260 WeakPolarHBondContact O-CG 3.47Å; Q256-L260 PolarHBondContact O-N 3.35Å; Q256-E279 PolarHBondContact NE2-OE1 3.24Å; Q256-E279 PolarHBondContact NE2-OE2 3.09Å
257E62.9Low60Low92 Ų92112.9 Ų112.943%0.4350%0.498SS..Hα-helixtrans-67.2-36.7178.1-74.4177.9-170.100113.7K253 L254 R261K253-E257 WeakPolarHBondContact O-CB 3.37Å; K253-E257 WeakPolarHBondContact O-CG 3.42Å; K253-E257 PolarHBondContact O-N 2.98Å; L254-E257 PolarHBondContact O-N 3.32Å; E257-R261 WeakPolarHBondContact O-CB 3.47Å; E257-R261 WeakPolarHBondContact O-CG 3.3Å; E257-R261 PolarHBondContact O-N 3.37Å; E257-R261 PolarHBondContact O-NE 2.84Å; E257-R261 IonicContact OE2-NH2 3.15Å; E257-R261 PolarHBondContact OE2-NH2 3.33Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å
258K59Low59.8Low124 Ų124114.7 Ų114.754%0.53951%0.51SS..Hα-helixtrans-72.4-41.9177.6-175.8179.8178.8-173.70110.1L254 M255 L260 R261 D262L254-K258 WeakPolarHBondContact O-CA 3.41Å; L254-K258 WeakPolarHBondContact O-CB 3.29Å; L254-K258 PolarHBondContact O-N 3.44Å; M255-K258 PolarHBondContact O-N 2.95Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 2.99Å; K258-R261 CarbonylContact O-C 3.27Å; K258-R261 WeakPolarHBondContact O-CA 3.44Å; K258-R261 PolarHBondContact O-N 3.13Å; K258-D262 WeakPolarHBondContact CE-OD2 3.48Å; K258-D262 WeakPolarHBondContact CG-OD2 3.4Å; K258-D262 WeakPolarHBondContact O-CB 3.45Å; K258-D262 PolarHBondContact O-N 2.87Å
259W54Low60.2Low77 Ų77120.1 Ų120.129%0.29254%0.538SS..Hα-helixtrans-60.1-42.3172.8-177.387000111.5M255 R261 H263 P267 L275M255-W259 WeakPolarHBondContact O-CB 3.43Å; M255-W259 PolarHBondContact O-N 3.3Å; W259-R261 VanDerWaalsContact C-N 3.27Å; W259-R261 PolarHBondContact O-N 2.89Å; W259-H263 AromaticContact CD1-CE1 3.6Å; W259-H263 AromaticContact CD1-ND1 3.62Å; W259-H263 AromaticContact NE1-CE1 3.7Å; W259-H263 AromaticContact NE1-ND1 3.8Å; W259-H263 WeakPolarHBondContact O-CB 3.45Å; W259-H263 PolarHBondContact O-N 3.43Å; W259-H263 VanDerWaalsContact O-N 3.14Å; W259-H263 PolarHBondContact O-ND1 3.42Å; W259-P267 HydrophobicContact CE3-CG 4.17Å; W259-P267 HydrophobicContact CH2-CB 3.4Å; W259-P267 HydrophobicContact CH2-CG 2.93Å; W259-P267 HydrophobicContact CZ2-CB 4.1Å; W259-P267 HydrophobicContact CZ2-CG 3.8Å; W259-P267 HydrophobicContact CZ3-CB 4.09Å; W259-P267 HydrophobicContact CZ3-CG 3.13Å; W259-L275 HydrophobicContact CH2-CD1 3.49Å; W259-L275 VanDerWaalsContact CH2-CD1 3.49Å; W259-L275 HydrophobicContact CZ2-CD1 3.52Å; W259-L275 HydrophobicContact CZ3-CD1 4.28Å
260L54.6Low60.7Low107 Ų107116.7 Ų116.756%0.5652%0.524SS*.Hα-helixtrans-62.5-28.5171.6-74.8164.8000113.6Q256 K258Q256-L260 WeakPolarHBondContact O-CB 3.41Å; Q256-L260 WeakPolarHBondContact O-CD1 3.32Å; Q256-L260 WeakPolarHBondContact O-CG 3.47Å; Q256-L260 PolarHBondContact O-N 3.35Å; K258-L260 VanDerWaalsContact C-N 3.31Å; K258-L260 PolarHBondContact O-N 2.99Å
261R56.1Low61.3Low163 Ų163112.4 Ų112.462%0.61551%0.514SS*.Hα-helixtrans-85.2-44.9178.6-85.9-175.7-89.7-148.9-6.7113.5E257 K258 W259E257-R261 WeakPolarHBondContact O-CB 3.47Å; E257-R261 WeakPolarHBondContact O-CG 3.3Å; E257-R261 PolarHBondContact O-N 3.37Å; E257-R261 PolarHBondContact O-NE 2.84Å; E257-R261 IonicContact OE2-NH2 3.15Å; E257-R261 PolarHBondContact OE2-NH2 3.33Å; E257-R261 VanDerWaalsContact OE2-NH2 3.15Å; K258-R261 CarbonylContact O-C 3.27Å; K258-R261 WeakPolarHBondContact O-CA 3.44Å; K258-R261 PolarHBondContact O-N 3.13Å; W259-R261 VanDerWaalsContact C-N 3.27Å; W259-R261 PolarHBondContact O-N 2.89Å
262D50.1Low61.9Low108 Ų108114 Ų11458%0.57852%0.519SS*.Hα-helixtrans-74.6-30.5-175.4-72.7-13.4000111.3K258 K264K258-D262 WeakPolarHBondContact CE-OD2 3.48Å; K258-D262 WeakPolarHBondContact CG-OD2 3.4Å; K258-D262 WeakPolarHBondContact O-CB 3.45Å; K258-D262 PolarHBondContact O-N 2.87Å; D262-K264 PolarHBondContact O-N 2.91Å
263H47.1Very low62.8Low103 Ų103113.3 Ų113.348%0.47752%0.517SS..  trans-91.588.9172.7-63.174.6000109.7W259 R265W259-H263 AromaticContact CD1-CE1 3.6Å; W259-H263 AromaticContact CD1-ND1 3.62Å; W259-H263 AromaticContact NE1-CE1 3.7Å; W259-H263 AromaticContact NE1-ND1 3.8Å; W259-H263 WeakPolarHBondContact O-CB 3.45Å; W259-H263 PolarHBondContact O-N 3.43Å; W259-H263 VanDerWaalsContact O-N 3.14Å; W259-H263 PolarHBondContact O-ND1 3.42Å; H263-R265 CarbonylContact O-C 3.45Å; H263-R265 PolarHBondContact O-N 3.44Å; H263-R265 VanDerWaalsContact O-O 3.09Å
264K45.3Very low63.5Low211 Ų211107.9 Ų107.992%0.91749%0.494SS*.SBendtrans-55.9-10.1168.9-77.9-177.4177.3177.90113.9D262D262-K264 PolarHBondContact O-N 2.91Å
265R48.5Very low64.4Low217 Ų217108 Ų10882%0.81950%0.495SS*.SBendtrans-92.4119.1166.4-70.5-177.6176.4179-1.1108.1H263 P267H263-R265 CarbonylContact O-C 3.45Å; H263-R265 PolarHBondContact O-N 3.44Å; H263-R265 VanDerWaalsContact O-O 3.09Å; R265-P267 VanDerWaalsContact O-N 3.15Å
266R50.7Low65.6Low236 Ų236106.5 Ų106.589%0.89148%0.484SS*.PPolyproline II helixtrans-49.4126.1163.1-68.7-176.3-177.9-173.80.7106.7S268R266-S268 PolarHBondContact O-N 2.87Å
267P55.3Low67Low34 Ų34102.9 Ų102.922%0.22147%0.468CS..PPolyproline II helixtrans-52141.4172.8-14.724.8000107.4W259 R265 Q269 A271 H272W259-P267 HydrophobicContact CE3-CG 4.17Å; W259-P267 HydrophobicContact CH2-CB 3.4Å; W259-P267 HydrophobicContact CH2-CG 2.93Å; W259-P267 HydrophobicContact CZ2-CB 4.1Å; W259-P267 HydrophobicContact CZ2-CG 3.8Å; W259-P267 HydrophobicContact CZ3-CB 4.09Å; W259-P267 HydrophobicContact CZ3-CG 3.13Å; R265-P267 VanDerWaalsContact O-N 3.15Å; P267-Q269 PolarHBondContact O-N 2.86Å; P267-A271 HydrophobicContact CB-CB 4.01Å; P267-H272 HydrophobicContact CB-CB 4.5Å
268S66.1Low68.4Low63 Ų63100.7 Ų100.744%0.44146%0.459SS..PPolyproline II helixtrans-51.4145.7168.759.10000107.9R266 T270 A271 H272R266-S268 PolarHBondContact O-N 2.87Å; S268-T270 CarbonylContact O-C 3.58Å; S268-T270 PolarHBondContact O-N 3.46Å; S268-A271 PolarHBondContact O-N 3.44Å; S268-A271 PolarHBondContact OG-N 2.86Å; S268-H272 PolarHBondContact O-N 3.24Å; S268-H272 VanDerWaalsContact O-N 3.12Å
269Q75.9Confident69.7Low179 Ų17997.3 Ų97.384%0.83645%0.445SS*.Hα-helixtrans-51.6-32178.1-68.2179-7.300110.7P267 Y273P267-Q269 PolarHBondContact O-N 2.86Å; Q269-Y273 VanDerWaalsContact O-CB 3.28Å; Q269-Y273 WeakPolarHBondContact O-CB 3.38Å; Q269-Y273 PolarHBondContact O-N 3.41Å
270T79.6Confident71.3Confident30 Ų3095.5 Ų95.518%0.18444%0.441CS..Hα-helixtrans-57.5-54.3169.9-39.70000113.2S268 H272 Y273 I274 W307 V312S268-T270 CarbonylContact O-C 3.58Å; S268-T270 PolarHBondContact O-N 3.46Å; T270-H272 PolarHBondContact O-N 2.91Å; T270-Y273 WeakPolarHBondContact O-CB 3.39Å; T270-Y273 PolarHBondContact O-N 3.22Å; T270-I274 HydrophobicContact CG2-CD1 4.19Å; T270-I274 VanDerWaalsContact O-CG1 3.27Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 3Å; T270-W307 HydrophobicContact CG2-CD2 3.87Å; T270-W307 HydrophobicContact CG2-CE3 3.8Å; T270-W307 HydrophobicContact CG2-CH2 3.59Å; T270-W307 HydrophobicContact CG2-CZ2 3.7Å; T270-W307 HydrophobicContact CG2-CZ3 3.66Å; T270-V312 HydrophobicContact CG2-CG2 3.78Å
271A80.6Confident73.1Confident31 Ų3190.5 Ų90.526%0.25642%0.415SS..Hα-helixtrans-62.4-41.2-179.800000112.5P267 S268 I274 L275P267-A271 HydrophobicContact CB-CB 4.01Å; S268-A271 PolarHBondContact O-N 3.44Å; S268-A271 PolarHBondContact OG-N 2.86Å; A271-I274 PolarHBondContact O-N 2.95Å; A271-L275 WeakPolarHBondContact O-CG 3.49Å; A271-L275 PolarHBondContact O-N 3.39Å; A271-L275 VanDerWaalsContact O-N 3.1Å
272H82.2Confident74.6Confident101 Ų10186.7 Ų86.747%0.46841%0.407SS..Hα-helixtrans-64.8-41.3175.5-175.869.9000111.8P267 S268 T270 K276P267-H272 HydrophobicContact CB-CB 4.5Å; S268-H272 PolarHBondContact O-N 3.24Å; S268-H272 VanDerWaalsContact O-N 3.12Å; T270-H272 PolarHBondContact O-N 2.91Å; H272-K276 WeakPolarHBondContact O-CB 3.15Å; H272-K276 PolarHBondContact O-N 3.29Å
273Y87.1Confident76.2Confident67 Ų6786 Ų8626%0.26340%0.402SS..Hα-helixtrans-61.4-43.9175.5176.6-84.3000112Q269 T270 S277 K303 W307Q269-Y273 VanDerWaalsContact O-CB 3.28Å; Q269-Y273 WeakPolarHBondContact O-CB 3.38Å; Q269-Y273 PolarHBondContact O-N 3.41Å; T270-Y273 WeakPolarHBondContact O-CB 3.39Å; T270-Y273 PolarHBondContact O-N 3.22Å; Y273-S277 WeakPolarHBondContact CE1-OG 3.29Å; Y273-S277 WeakPolarHBondContact O-CB 3.33Å; Y273-S277 PolarHBondContact O-N 3.26Å; Y273-S277 PolarHBondContact O-OG 3.03Å; Y273-K303 HydrophobicContact CE1-CD 4.2Å; Y273-K303 WeakPolarHBondContact OH-CD 3.47Å; Y273-K303 PolarHBondContact OH-NZ 2.95Å; Y273-K303 VanDerWaalsContact OH-NZ 3.1Å; Y273-W307 AromaticContact CD1-CH2 3.65Å; Y273-W307 HydrophobicContact CD1-CH2 3.65Å; Y273-W307 HydrophobicContact CD1-CZ2 4.18Å; Y273-W307 HydrophobicContact CE1-CH2 4.08Å; Y273-W307 HydrophobicContact CE1-CZ2 4.47Å
274I87.5Confident78.2Confident19 Ų1983.4 Ų83.410%0.09739%0.391CS..Hα-helixtrans-59.7-54.2179-68.9161.6000110.1T270 A271 K276 S277 L278 W307 V312 L318T270-I274 HydrophobicContact CG2-CD1 4.19Å; T270-I274 VanDerWaalsContact O-CG1 3.27Å; T270-I274 WeakPolarHBondContact O-CG1 3.38Å; T270-I274 PolarHBondContact O-N 3Å; A271-I274 PolarHBondContact O-N 2.95Å; I274-K276 PolarHBondContact O-N 3.49Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 2.94Å; I274-S277 VanDerWaalsContact O-N 3.15Å; I274-L278 HydrophobicContact CG2-CD1 4.06Å; I274-L278 HydrophobicContact CG2-CG 4.49Å; I274-L278 WeakPolarHBondContact O-CG 3.39Å; I274-L278 PolarHBondContact O-N 2.97Å; I274-W307 HydrophobicContact CD1-CE3 4.39Å; I274-W307 HydrophobicContact CD1-CH2 4.27Å; I274-W307 HydrophobicContact CD1-CZ3 3.59Å; I274-W307 HydrophobicContact CG1-CH2 3.81Å; I274-W307 HydrophobicContact CG1-CZ3 3.45Å; I274-W307 VanDerWaalsContact CG1-CZ3 3.45Å; I274-V312 HydrophobicContact CD1-CG1 4.15Å; I274-V312 HydrophobicContact CD1-CG2 3.85Å; I274-L318 HydrophobicContact CD1-CD2 3.76Å; I274-L318 HydrophobicContact CG1-CD2 3.9Å; I274-L318 HydrophobicContact CG2-CD1 3.67Å; I274-L318 HydrophobicContact CG2-CD2 3.74Å; I274-L318 HydrophobicContact CG2-CG 4.38Å
275L86.5Confident80.1Confident80 Ų8074.6 Ų74.642%0.41935%0.354SS..Hα-helixtrans-58.7-51.1-177.7-71.6170.5000111.2W259 A271 S277 L278 E279W259-L275 HydrophobicContact CH2-CD1 3.49Å; W259-L275 VanDerWaalsContact CH2-CD1 3.49Å; W259-L275 HydrophobicContact CZ2-CD1 3.52Å; W259-L275 HydrophobicContact CZ3-CD1 4.28Å; A271-L275 WeakPolarHBondContact O-CG 3.49Å; A271-L275 PolarHBondContact O-N 3.39Å; A271-L275 VanDerWaalsContact O-N 3.1Å; L275-S277 VanDerWaalsContact C-N 3.25Å; L275-S277 PolarHBondContact O-N 3.44Å; L275-L278 PolarHBondContact O-N 2.94Å; L275-E279 WeakPolarHBondContact O-CG 3.38Å; L275-E279 PolarHBondContact O-N 3.34Å
276K87Confident81.7Confident112 Ų11265.5 Ų65.549%0.48732%0.322SS..Hα-helixtrans-59.5-38.5178-176.5174-179.1176.10112.2H272 I274 E279 D280H272-K276 WeakPolarHBondContact O-CB 3.15Å; H272-K276 PolarHBondContact O-N 3.29Å; I274-K276 PolarHBondContact O-N 3.49Å; K276-E279 PolarHBondContact O-N 3.05Å; K276-D280 WeakPolarHBondContact O-CB 3.27Å; K276-D280 PolarHBondContact O-N 3.44Å
277S91.4Very high83.2Confident6 Ų656.9 Ų56.94%0.04230%0.298CS..Hα-helixtrans-66.2-45.7179.5-65.60000112.1Y273 I274 L275 D280 I281Y273-S277 WeakPolarHBondContact CE1-OG 3.29Å; Y273-S277 WeakPolarHBondContact O-CB 3.33Å; Y273-S277 PolarHBondContact O-N 3.26Å; Y273-S277 PolarHBondContact O-OG 3.03Å; I274-S277 WeakPolarHBondContact O-CB 3.42Å; I274-S277 PolarHBondContact O-N 2.94Å; I274-S277 VanDerWaalsContact O-N 3.15Å; L275-S277 VanDerWaalsContact C-N 3.25Å; L275-S277 PolarHBondContact O-N 3.44Å; S277-D280 PolarHBondContact O-N 2.97Å; S277-I281 WeakPolarHBondContact O-CD1 3.39Å; S277-I281 WeakPolarHBondContact O-CG1 3.33Å; S277-I281 PolarHBondContact O-N 3.41Å
278L91.6Very high84.5Confident47 Ų4757.5 Ų57.525%0.24631%0.311CS..Hα-helixtrans-62.9-42.1176.1-67.3175.9000111.5I274 L275 D280 I281 D282 L318 L322I274-L278 HydrophobicContact CG2-CD1 4.06Å; I274-L278 HydrophobicContact CG2-CG 4.49Å; I274-L278 WeakPolarHBondContact O-CG 3.39Å; I274-L278 PolarHBondContact O-N 2.97Å; L275-L278 PolarHBondContact O-N 2.94Å; L278-D280 VanDerWaalsContact C-N 3.34Å; L278-D280 PolarHBondContact O-N 3.28Å; L278-I281 HydrophobicContact CD2-CD1 4.5Å; L278-I281 PolarHBondContact O-N 2.95Å; L278-D282 PolarHBondContact O-N 2.71Å; L278-D282 VanDerWaalsContact O-N 3.1Å; L278-L318 HydrophobicContact CD1-CD1 3.92Å; L278-L318 HydrophobicContact CD2-CD1 4.34Å; L278-L318 HydrophobicContact CG-CD1 4.47Å; L278-L322 HydrophobicContact CD2-CD2 3.72Å; L278-L322 HydrophobicContact CD2-CG 4.35Å
279E86.6Confident85.7Confident52 Ų5256.9 Ų56.924%0.24331%0.306CS..Hα-helixtrans-59.9-44.4175.4-73.5-172.5146.200112.4R252 Q256 L275 K276 D282 M283R252-E279 IonicContact NE-OE1 3.59Å; R252-E279 PolarHBondContact NE-OE1 2.95Å; R252-E279 VanDerWaalsContact NH2-CB 3.3Å; R252-E279 VanDerWaalsContact NH2-CG 3.3Å; R252-E279 IonicContact NH2-OE1 2.7Å; Q256-E279 PolarHBondContact NE2-OE1 3.24Å; Q256-E279 PolarHBondContact NE2-OE2 3.09Å; L275-E279 WeakPolarHBondContact O-CG 3.38Å; L275-E279 PolarHBondContact O-N 3.34Å; K276-E279 PolarHBondContact O-N 3.05Å; E279-D282 PolarHBondContact O-N 3.5Å; E279-M283 WeakPolarHBondContact O-CG 3.45Å; E279-M283 PolarHBondContact O-N 3.46Å
280D87.8Confident86.4Confident39 Ų3948.8 Ų48.821%0.20927%0.27CS..Hα-helixtrans-68.6-34.9179.7-72.2-25.7000112K276 S277 L278 L284 K296K276-D280 WeakPolarHBondContact O-CB 3.27Å; K276-D280 PolarHBondContact O-N 3.44Å; S277-D280 PolarHBondContact O-N 2.97Å; L278-D280 VanDerWaalsContact C-N 3.34Å; L278-D280 PolarHBondContact O-N 3.28Å; D280-L284 WeakPolarHBondContact O-CB 3.42Å; D280-L284 WeakPolarHBondContact O-CD1 3.28Å; D280-L284 WeakPolarHBondContact O-CG 3.41Å; D280-L284 PolarHBondContact O-N 2.8Å; D280-K296 HydrophobicContact CB-CD 3.82Å; D280-K296 WeakPolarHBondContact OD2-CE 3.46Å; D280-K296 IonicContact OD2-NZ 3.47Å; D280-K296 PolarHBondContact OD2-NZ 3.18Å
281I92.1Very high87.1Confident2 Ų253.6 Ų53.61%0.0129%0.291CS..Hα-helixtrans-62.1-46.9175.6-71.5160.8000110.1S277 L278 L284 L285 S293 K296 A297 V300 L322 C325S277-I281 WeakPolarHBondContact O-CD1 3.39Å; S277-I281 WeakPolarHBondContact O-CG1 3.33Å; S277-I281 PolarHBondContact O-N 3.41Å; L278-I281 HydrophobicContact CD2-CD1 4.5Å; L278-I281 PolarHBondContact O-N 2.95Å; I281-L284 PolarHBondContact O-N 2.73Å; I281-L285 PolarHBondContact O-N 3.18Å; I281-S293 WeakPolarHBondContact CG2-OG 3.41Å; I281-S293 PolarHBondContact O-OG 3.23Å; I281-K296 HydrophobicContact CG1-CB 4.06Å; I281-K296 HydrophobicContact CG1-CD 4.3Å; I281-K296 HydrophobicContact CG1-CG 3.89Å; I281-A297 HydrophobicContact CD1-CB 3.87Å; I281-A297 HydrophobicContact CG1-CB 4.2Å; I281-A297 HydrophobicContact CG2-CB 4.18Å; I281-V300 HydrophobicContact CD1-CG2 4.38Å; I281-L322 HydrophobicContact CD1-CD2 3.97Å; I281-C325 HydrophobicContact CG2-CB 3.8Å
282D87.3Confident87.7Confident84 Ų8452.9 Ų52.945%0.44929%0.287SS..Hα-helixtrans-64.3-43.5177.7177.463.4000112.1L278 E279 L284 L285 T286L278-D282 PolarHBondContact O-N 2.71Å; L278-D282 VanDerWaalsContact O-N 3.1Å; E279-D282 PolarHBondContact O-N 3.5Å; D282-L284 VanDerWaalsContact C-N 3.35Å; D282-L284 PolarHBondContact O-N 2.91Å; D282-L285 PolarHBondContact O-N 2.65Å; D282-T286 WeakPolarHBondContact O-CG2 3.44Å; D282-T286 PolarHBondContact O-N 3.24Å; D282-T286 PolarHBondContact O-OG1 2.95Å
283M84Confident88.3Confident93 Ų9348.1 Ų48.146%0.45826%0.264SS..Hα-helixtrans-62.7-40.9175.6-74.3-147.4-55.600112.5E279 T286 S287E279-M283 WeakPolarHBondContact O-CG 3.45Å; E279-M283 PolarHBondContact O-N 3.46Å; M283-T286 WeakPolarHBondContact CA-OG1 3.37Å; M283-T286 PolarHBondContact O-OG1 3.15Å; M283-S287 WeakPolarHBondContact O-CB 3.42Å; M283-S287 PolarHBondContact O-N 2.94Å; M283-S287 PolarHBondContact O-OG 2.78Å; M283-S287 VanDerWaalsContact O-OG 3.05Å
284L88.9Confident88.7Confident49 Ų4945.8 Ų45.826%0.25726%0.257SS..Hα-helixtrans-63.1-44.3177-75.1166.8000111D280 I281 D282 S287 G288 S289 K296D280-L284 WeakPolarHBondContact O-CB 3.42Å; D280-L284 WeakPolarHBondContact O-CD1 3.28Å; D280-L284 WeakPolarHBondContact O-CG 3.41Å; D280-L284 PolarHBondContact O-N 2.8Å; I281-L284 PolarHBondContact O-N 2.73Å; D282-L284 VanDerWaalsContact C-N 3.35Å; D282-L284 PolarHBondContact O-N 2.91Å; L284-S287 PolarHBondContact O-N 2.94Å; L284-S287 PolarHBondContact O-OG 3.47Å; L284-G288 PolarHBondContact O-N 3.08Å; L284-S289 CarbonylContact O-C 3.54Å; L284-S289 WeakPolarHBondContact O-CA 3.4Å; L284-S289 PolarHBondContact O-N 3.08Å; L284-K296 HydrophobicContact CD1-CB 4.19Å; L284-K296 HydrophobicContact CD1-CD 3.72Å
285L86.3Confident89.1Confident26 Ų2651.2 Ų51.214%0.13628%0.282CS..Hα-helixtrans-62.4-52.4178.9-166.366.9000111.3R188 I281 D282 S287 G288 A290 N328 A329 E332R188-L285 PolarHBondContact NH1-O 3.1Å; R188-L285 PolarHBondContact NH2-O 3.3Å; I281-L285 PolarHBondContact O-N 3.18Å; D282-L285 PolarHBondContact O-N 2.65Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.01Å; L285-G288 PolarHBondContact O-N 3.34Å; L285-G288 VanDerWaalsContact O-N 3.09Å; L285-A290 HydrophobicContact CD1-CB 4.43Å; L285-N328 HydrophobicContact CD2-CB 3.98Å; L285-A329 HydrophobicContact CD1-CB 4.13Å; L285-E332 HydrophobicContact CD1-CB 4.5Å; L285-E332 HydrophobicContact CD1-CG 4.08Å
286T81.4Confident89.5Confident26 Ų2650.3 Ų50.316%0.1627%0.274CS..Hα-helixtrans-65.2-30.6-179.151.60000113.3D282 M283 G288D282-T286 WeakPolarHBondContact O-CG2 3.44Å; D282-T286 PolarHBondContact O-N 3.24Å; D282-T286 PolarHBondContact O-OG1 2.95Å; M283-T286 WeakPolarHBondContact CA-OG1 3.37Å; M283-T286 PolarHBondContact O-OG1 3.15Å; T286-G288 PolarHBondContact O-N 3.44Å
287S81.1Confident90Very high54 Ų5445 Ų4538%0.37825%0.251SS..THydrogen-bonded Turntrans-72.9-9175.7730000114.4M283 L284 L285M283-S287 WeakPolarHBondContact O-CB 3.42Å; M283-S287 PolarHBondContact O-N 2.94Å; M283-S287 PolarHBondContact O-OG 2.78Å; M283-S287 VanDerWaalsContact O-OG 3.05Å; L284-S287 PolarHBondContact O-N 2.94Å; L284-S287 PolarHBondContact O-OG 3.47Å; L285-S287 VanDerWaalsContact C-N 3.3Å; L285-S287 PolarHBondContact O-N 3.01Å
288G82.3Confident90.2Very high47 Ų4749.2 Ų49.249%0.48527%0.27SS..THydrogen-bonded Turntrans98.10.2-177.800000115.1L284 L285 T286 A290L284-G288 PolarHBondContact O-N 3.08Å; L285-G288 PolarHBondContact O-N 3.34Å; L285-G288 VanDerWaalsContact O-N 3.09Å; T286-G288 PolarHBondContact O-N 3.44Å; G288-A290 PolarHBondContact O-N 3.19Å
289S91.3Very high90.4Very high50 Ų5053.5 Ų53.535%0.3529%0.287SS..  trans-9272179.2-168.70000110.9L284 E291 G292 S293L284-S289 CarbonylContact O-C 3.54Å; L284-S289 WeakPolarHBondContact O-CA 3.4Å; L284-S289 PolarHBondContact O-N 3.08Å; S289-E291 VanDerWaalsContact C-N 3.34Å; S289-E291 PolarHBondContact O-N 3.04Å; S289-G292 PolarHBondContact O-N 2.87Å; S289-S293 WeakPolarHBondContact O-CB 3.44Å; S289-S293 PolarHBondContact O-N 3.46Å
290A91.6Very high90.7Very high10 Ų1051.1 Ų51.18%0.08328%0.276CS..Hα-helixtrans-61.8-40.6179.200000112.1L285 G288 G292 S293 L294 E332 L333L285-A290 HydrophobicContact CD1-CB 4.43Å; G288-A290 PolarHBondContact O-N 3.19Å; A290-G292 PolarHBondContact O-N 3.23Å; A290-S293 PolarHBondContact O-N 3.37Å; A290-L294 WeakPolarHBondContact O-CB 3.11Å; A290-L294 PolarHBondContact O-N 3.03Å; A290-E332 HydrophobicContact CB-CB 3.75Å; A290-L333 HydrophobicContact CB-CD2 3.79Å; A290-L333 HydrophobicContact CB-CG 3.88Å
291E93.9Very high91.1Very high130 Ų13049.9 Ų49.961%0.60727%0.269SS*.Hα-helixtrans-61.9-43.3175.4-62.5-176.4170.100112.3S289 L294 Q295 L333S289-E291 VanDerWaalsContact C-N 3.34Å; S289-E291 PolarHBondContact O-N 3.04Å; E291-L294 PolarHBondContact O-N 3.23Å; E291-Q295 WeakPolarHBondContact O-CG 3.39Å; E291-Q295 PolarHBondContact O-N 3.49Å; E291-L333 HydrophobicContact CG-CD1 4.42Å; E291-L333 HydrophobicContact CG-CD2 3.52Å
292G92.9Very high91.2Very high17 Ų1756.5 Ų56.518%0.17530%0.298CS..Hα-helixtrans-65.7-40.3177.900000112S289 A290 K296S289-G292 PolarHBondContact O-N 2.87Å; A290-G292 PolarHBondContact O-N 3.23Å; G292-K296 VanDerWaalsContact O-CB 3.29Å; G292-K296 WeakPolarHBondContact O-CB 3.19Å; G292-K296 PolarHBondContact O-N 3.48Å
293S94.6Very high91.4Very high0 Ų056.2 Ų56.20%029%0.292CS..Hα-helixtrans-61.9-46.5174.7-170.60000111.3I281 S289 A290 K296 A297I281-S293 WeakPolarHBondContact CG2-OG 3.41Å; I281-S293 PolarHBondContact O-OG 3.23Å; S289-S293 WeakPolarHBondContact O-CB 3.44Å; S289-S293 PolarHBondContact O-N 3.46Å; A290-S293 PolarHBondContact O-N 3.37Å; S293-K296 PolarHBondContact O-N 3.16Å; S293-A297 WeakPolarHBondContact O-CB 3.44Å; S293-A297 PolarHBondContact O-N 3.03Å
294L96.1Very high91.7Very high19 Ų1951.8 Ų51.810%0.09927%0.271CS..Hα-helixtrans-58.5-55.1177.1179.460.9000111.8A290 E291 K296 A297 E298 I326 A329 Q330 L333A290-L294 WeakPolarHBondContact O-CB 3.11Å; A290-L294 PolarHBondContact O-N 3.03Å; E291-L294 PolarHBondContact O-N 3.23Å; L294-K296 PolarHBondContact O-N 3.1Å; L294-A297 PolarHBondContact O-N 3.16Å; L294-A297 VanDerWaalsContact O-N 3.17Å; L294-E298 HydrophobicContact CD1-CG 4.22Å; L294-E298 WeakPolarHBondContact O-CG 3.25Å; L294-E298 PolarHBondContact O-N 3.13Å; L294-I326 HydrophobicContact CD1-CB 4.29Å; L294-I326 HydrophobicContact CD1-CG1 4.34Å; L294-I326 HydrophobicContact CD1-CG2 3.69Å; L294-A329 HydrophobicContact CB-CB 3.88Å; L294-A329 HydrophobicContact CD1-CB 4.44Å; L294-Q330 HydrophobicContact CD1-CG 4.09Å; L294-Q330 HydrophobicContact CD2-CG 4.45Å; L294-L333 HydrophobicContact CB-CD1 4.43Å; L294-L333 HydrophobicContact CD2-CD1 3.62Å
295Q96.1Very high91.8Very high133 Ų13353.7 Ų53.762%0.62128%0.281SS*.Hα-helixtrans-57.7-38.9-179.9-72.4176.48.600111.9E291 K299E291-Q295 WeakPolarHBondContact O-CG 3.39Å; E291-Q295 PolarHBondContact O-N 3.49Å; Q295-K299 VanDerWaalsContact O-CB 3.31Å; Q295-K299 WeakPolarHBondContact O-CB 3.43Å; Q295-K299 PolarHBondContact O-N 3.39Å; Q295-K299 VanDerWaalsContact O-N 3.08Å
296K95.3Very high91.9Very high61 Ų6158.8 Ų58.827%0.26530%0.304SS..Hα-helixtrans-70.7-43.7179.1-168.3163.7-170.6155.70111.7D280 I281 L284 G292 S293 L294 K299 V300D280-K296 HydrophobicContact CB-CD 3.82Å; D280-K296 WeakPolarHBondContact OD2-CE 3.46Å; D280-K296 IonicContact OD2-NZ 3.47Å; D280-K296 PolarHBondContact OD2-NZ 3.18Å; I281-K296 HydrophobicContact CG1-CB 4.06Å; I281-K296 HydrophobicContact CG1-CD 4.3Å; I281-K296 HydrophobicContact CG1-CG 3.89Å; L284-K296 HydrophobicContact CD1-CB 4.19Å; L284-K296 HydrophobicContact CD1-CD 3.72Å; G292-K296 VanDerWaalsContact O-CB 3.29Å; G292-K296 WeakPolarHBondContact O-CB 3.19Å; G292-K296 PolarHBondContact O-N 3.48Å; S293-K296 PolarHBondContact O-N 3.16Å; L294-K296 PolarHBondContact O-N 3.1Å; K296-K299 PolarHBondContact O-N 2.98Å; K296-V300 HydrophobicContact CG-CG2 4.45Å; K296-V300 WeakPolarHBondContact O-CG2 3.39Å; K296-V300 PolarHBondContact O-N 2.9Å
297A96.4Very high92.2Very high0 Ų059.6 Ų59.60%030%0.304CS..Hα-helixtrans-61.8-44.6177.400000111.7I281 S293 L294 K299 V300 L301 C325 I326I281-A297 HydrophobicContact CD1-CB 3.87Å; I281-A297 HydrophobicContact CG1-CB 4.2Å; I281-A297 HydrophobicContact CG2-CB 4.18Å; S293-A297 WeakPolarHBondContact O-CB 3.44Å; S293-A297 PolarHBondContact O-N 3.03Å; L294-A297 PolarHBondContact O-N 3.16Å; L294-A297 VanDerWaalsContact O-N 3.17Å; A297-K299 PolarHBondContact O-N 3.11Å; A297-V300 PolarHBondContact O-N 3.43Å; A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.42Å; A297-L301 PolarHBondContact O-N 3.35Å; A297-C325 HydrophobicContact CB-CB 4.37Å; A297-I326 HydrophobicContact CB-CD1 4.42Å; A297-I326 HydrophobicContact CB-CG1 3.6Å
298E96.3Very high92.2Very high95 Ų9562 Ų6244%0.44431%0.313SS..Hα-helixtrans-61.8-42.9175.3-71.1179160.500112.5L294 V300 L301 K302 I326L294-E298 HydrophobicContact CD1-CG 4.22Å; L294-E298 WeakPolarHBondContact O-CG 3.25Å; L294-E298 PolarHBondContact O-N 3.13Å; E298-V300 VanDerWaalsContact C-N 3.33Å; E298-V300 PolarHBondContact O-N 3.16Å; E298-L301 PolarHBondContact O-N 2.97Å; E298-K302 PolarHBondContact O-N 2.96Å; E298-I326 HydrophobicContact CG-CD1 4.01Å; E298-I326 HydrophobicContact CG-CG1 4.31Å
299K95.9Very high92.1Very high136 Ų13665.1 Ų65.159%0.59131%0.313SS*.Hα-helixtrans-62.9-40.1177.3-175.5178.8-172.9175.30112.1Q295 K296 A297 K303Q295-K299 VanDerWaalsContact O-CB 3.31Å; Q295-K299 WeakPolarHBondContact O-CB 3.43Å; Q295-K299 PolarHBondContact O-N 3.39Å; Q295-K299 VanDerWaalsContact O-N 3.08Å; K296-K299 PolarHBondContact O-N 2.98Å; A297-K299 PolarHBondContact O-N 3.11Å; K299-K303 PolarHBondContact O-N 2.86Å
300V93.9Very high91.3Very high2 Ų271.5 Ų71.51%0.01234%0.337CS..Hα-helixtrans-71.4-43.4178.81750000109.8I281 K296 A297 E298 K302 K303 V304 L322I281-V300 HydrophobicContact CD1-CG2 4.38Å; K296-V300 HydrophobicContact CG-CG2 4.45Å; K296-V300 WeakPolarHBondContact O-CG2 3.39Å; K296-V300 PolarHBondContact O-N 2.9Å; A297-V300 PolarHBondContact O-N 3.43Å; E298-V300 VanDerWaalsContact C-N 3.33Å; E298-V300 PolarHBondContact O-N 3.16Å; V300-K302 VanDerWaalsContact C-N 3.35Å; V300-K302 PolarHBondContact O-N 2.88Å; V300-K303 PolarHBondContact O-N 3.35Å; V300-K303 VanDerWaalsContact O-N 3.16Å; V300-V304 HydrophobicContact CG1-CG2 4.17Å; V300-V304 WeakPolarHBondContact O-CG2 3.4Å; V300-V304 PolarHBondContact O-N 3.3Å; V300-L322 HydrophobicContact CB-CD2 4.19Å; V300-L322 HydrophobicContact CG1-CD1 3.97Å; V300-L322 HydrophobicContact CG1-CD2 3.83Å
301L95.3Very high90.5Very high13 Ų1375.7 Ų75.77%0.06836%0.355CS..Hα-helixtrans-55.9-47.9175.1177.862.3000111.7A297 E298 K303 V304 L305 V319 L322 Y323 I326A297-L301 VanDerWaalsContact O-CB 3.3Å; A297-L301 WeakPolarHBondContact O-CB 3.42Å; A297-L301 PolarHBondContact O-N 3.35Å; E298-L301 PolarHBondContact O-N 2.97Å; L301-K303 VanDerWaalsContact C-N 3.28Å; L301-K303 PolarHBondContact O-N 2.74Å; L301-V304 PolarHBondContact O-N 2.98Å; L301-L305 HydrophobicContact CD1-CD1 4.36Å; L301-L305 HydrophobicContact CD1-CG 4.29Å; L301-L305 HydrophobicContact CG-CD1 4.25Å; L301-L305 VanDerWaalsContact O-CG 3.32Å; L301-L305 WeakPolarHBondContact O-CG 3.22Å; L301-L305 PolarHBondContact O-N 2.85Å; L301-V319 HydrophobicContact CD1-CB 4.41Å; L301-V319 HydrophobicContact CD1-CG1 3.82Å; L301-V319 HydrophobicContact CD1-CG2 4.28Å; L301-L322 HydrophobicContact CB-CB 4.35Å; L301-L322 HydrophobicContact CB-CD1 4.24Å; L301-L322 HydrophobicContact CD1-CB 4.17Å; L301-L322 HydrophobicContact CD1-CD1 4.27Å; L301-Y323 HydrophobicContact CD1-CE2 4.41Å; L301-Y323 HydrophobicContact CD2-CD1 4.12Å; L301-Y323 HydrophobicContact CD2-CE1 3.59Å; L301-Y323 HydrophobicContact CD2-CE2 4.38Å; L301-I326 HydrophobicContact CD2-CD1 3.67Å
302K94.6Very high89.9Confident142 Ų14270.1 Ų70.162%0.61733%0.33SS*.Hα-helixtrans-56.1-43.3177.4-171.8176.7-179.8178.80112.2E298 V300 E306E298-K302 PolarHBondContact O-N 2.96Å; V300-K302 VanDerWaalsContact C-N 3.35Å; V300-K302 PolarHBondContact O-N 2.88Å; K302-E306 WeakPolarHBondContact O-CG 3.49Å; K302-E306 PolarHBondContact O-N 3.45Å
303K91.5Very high89.2Confident77 Ų7774.1 Ų74.134%0.33535%0.353SS..Hα-helixtrans-69.1-40.9177-76.9178.9168.2-167.60113.3Y273 K299 V300 L301 L305 E306 W307Y273-K303 HydrophobicContact CE1-CD 4.2Å; Y273-K303 WeakPolarHBondContact OH-CD 3.47Å; Y273-K303 PolarHBondContact OH-NZ 2.95Å; Y273-K303 VanDerWaalsContact OH-NZ 3.1Å; K299-K303 PolarHBondContact O-N 2.86Å; V300-K303 PolarHBondContact O-N 3.35Å; V300-K303 VanDerWaalsContact O-N 3.16Å; L301-K303 VanDerWaalsContact C-N 3.28Å; L301-K303 PolarHBondContact O-N 2.74Å; K303-L305 VanDerWaalsContact C-N 3.25Å; K303-L305 PolarHBondContact O-N 3.37Å; K303-E306 WeakPolarHBondContact O-CB 3.4Å; K303-E306 PolarHBondContact O-N 3.24Å; K303-E306 VanDerWaalsContact O-N 3.14Å; K303-W307 PolarHBondContact O-N 3.46Å
304V90.6Very high88.7Confident0 Ų079 Ų790%038%0.379CS..Hα-helixtrans-63.2-36.6178.5171.40000110.7V300 L301 E306 W307 K315 L318 V319 L322V300-V304 HydrophobicContact CG1-CG2 4.17Å; V300-V304 WeakPolarHBondContact O-CG2 3.4Å; V300-V304 PolarHBondContact O-N 3.3Å; L301-V304 PolarHBondContact O-N 2.98Å; V304-E306 VanDerWaalsContact C-N 3.26Å; V304-E306 PolarHBondContact O-N 3.02Å; V304-W307 HydrophobicContact CB-CE3 4.19Å; V304-W307 HydrophobicContact CB-CZ3 4.4Å; V304-W307 HydrophobicContact CG1-CE3 4.45Å; V304-W307 HydrophobicContact CG2-CE3 3.87Å; V304-W307 HydrophobicContact CG2-CH2 4.42Å; V304-W307 HydrophobicContact CG2-CZ3 3.58Å; V304-W307 PolarHBondContact O-N 2.89Å; V304-K315 HydrophobicContact CG1-CG 4.14Å; V304-K315 WeakPolarHBondContact O-CE 3.39Å; V304-L318 HydrophobicContact CB-CD2 4.44Å; V304-L318 HydrophobicContact CG1-CD2 3.78Å; V304-L318 HydrophobicContact CG1-CG 4.13Å; V304-L318 HydrophobicContact CG2-CD2 3.69Å; V304-L318 HydrophobicContact CG2-CG 4.29Å; V304-V319 HydrophobicContact CG1-CG2 3.73Å; V304-L322 HydrophobicContact CB-CD1 4.26Å; V304-L322 HydrophobicContact CG2-CD1 3.88Å
305L90.2Very high88.3Confident90 Ų9079.6 Ų79.647%0.47138%0.381SS..Hα-helixtrans-63-32.2175.7-70.3172.1000112.7L301 K303 W307 K315 V319L301-L305 HydrophobicContact CD1-CD1 4.36Å; L301-L305 HydrophobicContact CD1-CG 4.29Å; L301-L305 HydrophobicContact CG-CD1 4.25Å; L301-L305 VanDerWaalsContact O-CG 3.32Å; L301-L305 WeakPolarHBondContact O-CG 3.22Å; L301-L305 PolarHBondContact O-N 2.85Å; K303-L305 VanDerWaalsContact C-N 3.25Å; K303-L305 PolarHBondContact O-N 3.37Å; L305-W307 VanDerWaalsContact C-N 3.32Å; L305-K315 PolarHBondContact O-NZ 2.9Å; L305-V319 HydrophobicContact CD2-CG2 4.19Å
306E89Confident87.9Confident133 Ų13374.8 Ų74.862%0.62136%0.359SS*.Hα-helixtrans-73.3-19.3176.9-66.8166.9-17300113.4K302 K303 V304K302-E306 WeakPolarHBondContact O-CG 3.49Å; K302-E306 PolarHBondContact O-N 3.45Å; K303-E306 WeakPolarHBondContact O-CB 3.4Å; K303-E306 PolarHBondContact O-N 3.24Å; K303-E306 VanDerWaalsContact O-N 3.14Å; V304-E306 VanDerWaalsContact C-N 3.26Å; V304-E306 PolarHBondContact O-N 3.02Å
307W87.1Confident87.6Confident42 Ų4275.7 Ų75.716%0.15936%0.364CS..SBendtrans-80.6153.4-179.5-65.2-30.3000113.8T270 Y273 I274 K303 V304 L305 E311 V312 K315T270-W307 HydrophobicContact CG2-CD2 3.87Å; T270-W307 HydrophobicContact CG2-CE3 3.8Å; T270-W307 HydrophobicContact CG2-CH2 3.59Å; T270-W307 HydrophobicContact CG2-CZ2 3.7Å; T270-W307 HydrophobicContact CG2-CZ3 3.66Å; Y273-W307 AromaticContact CD1-CH2 3.65Å; Y273-W307 HydrophobicContact CD1-CH2 3.65Å; Y273-W307 HydrophobicContact CD1-CZ2 4.18Å; Y273-W307 HydrophobicContact CE1-CH2 4.08Å; Y273-W307 HydrophobicContact CE1-CZ2 4.47Å; I274-W307 HydrophobicContact CD1-CE3 4.39Å; I274-W307 HydrophobicContact CD1-CH2 4.27Å; I274-W307 HydrophobicContact CD1-CZ3 3.59Å; I274-W307 HydrophobicContact CG1-CH2 3.81Å; I274-W307 HydrophobicContact CG1-CZ3 3.45Å; I274-W307 VanDerWaalsContact CG1-CZ3 3.45Å; K303-W307 PolarHBondContact O-N 3.46Å; V304-W307 HydrophobicContact CB-CE3 4.19Å; V304-W307 HydrophobicContact CB-CZ3 4.4Å; V304-W307 HydrophobicContact CG1-CE3 4.45Å; V304-W307 HydrophobicContact CG2-CE3 3.87Å; V304-W307 HydrophobicContact CG2-CH2 4.42Å; V304-W307 HydrophobicContact CG2-CZ3 3.58Å; V304-W307 PolarHBondContact O-N 2.89Å; L305-W307 VanDerWaalsContact C-N 3.32Å; W307-E311 WeakPolarHBondContact CB-OE2 3.49Å; W307-E311 VanDerWaalsContact CD1-OE2 3.26Å; W307-V312 HydrophobicContact CB-CG2 4.49Å; W307-V312 HydrophobicContact CD2-CG2 4.33Å; W307-V312 HydrophobicContact CE3-CG2 3.61Å; W307-V312 HydrophobicContact CZ3-CG2 4.16Å; W307-K315 WeakPolarHBondContact O-CD 3.44Å; W307-K315 WeakPolarHBondContact O-CE 3.45Å; W307-K315 PolarHBondContact O-NZ 3.44Å
308N81.8Confident87.4Confident106 Ų10676.3 Ų76.357%0.56737%0.368SS*.  trans-88.6157.4176.9-66.2-34.2000111.7E310 E311 V312N308-E310 PolarHBondContact O-N 3.39Å; N308-E310 VanDerWaalsContact O-N 3.15Å; N308-E311 PolarHBondContact O-N 3.33Å; N308-V312 PolarHBondContact O-N 3.26Å; N308-V312 VanDerWaalsContact O-N 3.15Å
309K80.2Confident87.3Confident111 Ų11172.3 Ų72.348%0.48335%0.35SS..THydrogen-bonded Turntrans-61-21.2175.2-69-167.8175.3-160.80112.9V312 P313 D316 Y353K309-V312 CarbonylContact O-C 3.28Å; K309-V312 VanDerWaalsContact O-C 3.28Å; K309-P313 WeakPolarHBondContact O-CA 3.41Å; K309-D316 WeakPolarHBondContact CE-OD2 3.48Å; K309-D316 IonicContact NZ-OD1 3.61Å; K309-D316 IonicContact NZ-OD2 2.74Å; K309-D316 PolarHBondContact NZ-OD2 2.86Å; K309-Y353 PolarHBondContact NZ-OH 2.93Å
310E73.8Confident87.2Confident185 Ų18566 Ų6686%0.86432%0.323SS*.THydrogen-bonded Turntrans-71.8-32.9173.2-62.4-176.7179.200113N308N308-E310 PolarHBondContact O-N 3.39Å; N308-E310 VanDerWaalsContact O-N 3.15Å
311E74.4Confident87.2Confident97 Ų9768.1 Ų68.145%0.45333%0.334SS..THydrogen-bonded Turntrans-81.2-34.7178.2-63.7-176.8147.900111.7W307 N308W307-E311 WeakPolarHBondContact CB-OE2 3.49Å; W307-E311 VanDerWaalsContact CD1-OE2 3.26Å; N308-E311 PolarHBondContact O-N 3.33Å
312V81.1Confident87.3Confident14 Ų1467.5 Ų67.59%0.08533%0.331CS..  trans-133.794.6178.3-172.20000109T270 I274 W307 N308 K309 N314 K315 L318T270-V312 HydrophobicContact CG2-CG2 3.78Å; I274-V312 HydrophobicContact CD1-CG1 4.15Å; I274-V312 HydrophobicContact CD1-CG2 3.85Å; W307-V312 HydrophobicContact CB-CG2 4.49Å; W307-V312 HydrophobicContact CD2-CG2 4.33Å; W307-V312 HydrophobicContact CE3-CG2 3.61Å; W307-V312 HydrophobicContact CZ3-CG2 4.16Å; N308-V312 PolarHBondContact O-N 3.26Å; N308-V312 VanDerWaalsContact O-N 3.15Å; K309-V312 CarbonylContact O-C 3.28Å; K309-V312 VanDerWaalsContact O-C 3.28Å; V312-N314 PolarHBondContact O-N 3.18Å; V312-K315 HydrophobicContact CB-CB 4.23Å; V312-K315 HydrophobicContact CG1-CB 4.26Å; V312-K315 VanDerWaalsContact O-CB 3.31Å; V312-K315 WeakPolarHBondContact O-CB 3.4Å; V312-K315 PolarHBondContact O-N 3.28Å; V312-K315 VanDerWaalsContact O-N 3.09Å; V312-L318 HydrophobicContact CG1-CD2 4.24Å
313P79.1Confident87.4Confident101 Ų10162.7 Ų62.766%0.65631%0.309SS*.THydrogen-bonded Turntrans-56.8-36.3-179.4-28.335.8000113.6K309 K315K309-P313 WeakPolarHBondContact O-CA 3.41Å; P313-K315 VanDerWaalsContact C-N 3.35Å; P313-K315 PolarHBondContact O-N 3.1Å
314N84.3Confident87.6Confident102 Ų10259.2 Ų59.255%0.54530%0.295SS..THydrogen-bonded Turntrans-98.936.9178.6-64.823000111.9V312 D316 E317 L318V312-N314 PolarHBondContact O-N 3.18Å; N314-D316 VanDerWaalsContact C-N 3.26Å; N314-D316 PolarHBondContact O-N 2.69Å; N314-E317 HydrophobicContact CB-CB 4.41Å; N314-E317 PolarHBondContact ND2-OE2 3.07Å; N314-E317 PolarHBondContact O-N 3.47Å; N314-L318 PolarHBondContact O-N 3.28Å; N314-L318 VanDerWaalsContact O-N 3.08Å
315K87.9Confident87.8Confident32 Ų3260.9 Ų60.914%0.13931%0.306CS..Hα-helixtrans-54.6-44-177.5176.5178.8171.7174.80111.8V304 L305 W307 V312 P313 L318 V319V304-K315 HydrophobicContact CG1-CG 4.14Å; V304-K315 WeakPolarHBondContact O-CE 3.39Å; L305-K315 PolarHBondContact O-NZ 2.9Å; W307-K315 WeakPolarHBondContact O-CD 3.44Å; W307-K315 WeakPolarHBondContact O-CE 3.45Å; W307-K315 PolarHBondContact O-NZ 3.44Å; V312-K315 HydrophobicContact CB-CB 4.23Å; V312-K315 HydrophobicContact CG1-CB 4.26Å; V312-K315 VanDerWaalsContact O-CB 3.31Å; V312-K315 WeakPolarHBondContact O-CB 3.4Å; V312-K315 PolarHBondContact O-N 3.28Å; V312-K315 VanDerWaalsContact O-N 3.09Å; P313-K315 VanDerWaalsContact C-N 3.35Å; P313-K315 PolarHBondContact O-N 3.1Å; K315-L318 WeakPolarHBondContact O-CB 3.45Å; K315-L318 PolarHBondContact O-N 3.03Å; K315-V319 HydrophobicContact CG-CG2 4.4Å; K315-V319 WeakPolarHBondContact O-CG2 3.4Å; K315-V319 PolarHBondContact O-N 3.13Å
316D87.9Confident88.2Confident32 Ų3256.9 Ų56.917%0.17129%0.285CS..Hα-helixtrans-67.9-45.1-172.6-53-54.3000111.2K309 N314 L318 V319 G320 I349 Y353K309-D316 WeakPolarHBondContact CE-OD2 3.48Å; K309-D316 IonicContact NZ-OD1 3.61Å; K309-D316 IonicContact NZ-OD2 2.74Å; K309-D316 PolarHBondContact NZ-OD2 2.86Å; N314-D316 VanDerWaalsContact C-N 3.26Å; N314-D316 PolarHBondContact O-N 2.69Å; D316-L318 VanDerWaalsContact C-N 3.32Å; D316-L318 PolarHBondContact O-N 3.38Å; D316-V319 PolarHBondContact O-N 3.04Å; D316-V319 VanDerWaalsContact O-N 3.14Å; D316-G320 PolarHBondContact O-N 3.42Å; D316-I349 WeakPolarHBondContact O-CG2 3.34Å; D316-Y353 HydrophobicContact CB-CD1 4.18Å; D316-Y353 HydrophobicContact CB-CD2 3.73Å; D316-Y353 HydrophobicContact CB-CE1 3.96Å; D316-Y353 HydrophobicContact CB-CE2 3.53Å; D316-Y353 HydrophobicContact CB-CG 4.07Å; D316-Y353 PolarHBondContact OD1-OH 3.5Å; D316-Y353 VanDerWaalsContact OD2-CE1 3.27Å; D316-Y353 WeakPolarHBondContact OD2-CE1 3.47Å
317E89.6Confident88.5Confident79 Ų7950.6 Ų50.637%0.36926%0.255SS..Hα-helixtrans-58-43172-175-172.2176.300111.9N314 V319 G320 N321 L355N314-E317 HydrophobicContact CB-CB 4.41Å; N314-E317 PolarHBondContact ND2-OE2 3.07Å; N314-E317 PolarHBondContact O-N 3.47Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.06Å; E317-G320 PolarHBondContact O-N 2.92Å; E317-N321 PolarHBondContact O-N 3.33Å; E317-L355 HydrophobicContact CB-CD1 3.94Å; E317-L355 HydrophobicContact CG-CD1 4.11Å
318L91.8Very high88.8Confident13 Ų1350 Ų507%0.06826%0.255CS..Hα-helixtrans-62.7-38.5176.7176.961.5000112.1I274 L278 V304 V312 N314 K315 D316 N321 L322I274-L318 HydrophobicContact CD1-CD2 3.76Å; I274-L318 HydrophobicContact CG1-CD2 3.9Å; I274-L318 HydrophobicContact CG2-CD1 3.67Å; I274-L318 HydrophobicContact CG2-CD2 3.74Å; I274-L318 HydrophobicContact CG2-CG 4.38Å; L278-L318 HydrophobicContact CD1-CD1 3.92Å; L278-L318 HydrophobicContact CD2-CD1 4.34Å; L278-L318 HydrophobicContact CG-CD1 4.47Å; V304-L318 HydrophobicContact CB-CD2 4.44Å; V304-L318 HydrophobicContact CG1-CD2 3.78Å; V304-L318 HydrophobicContact CG1-CG 4.13Å; V304-L318 HydrophobicContact CG2-CD2 3.69Å; V304-L318 HydrophobicContact CG2-CG 4.29Å; V312-L318 HydrophobicContact CG1-CD2 4.24Å; N314-L318 PolarHBondContact O-N 3.28Å; N314-L318 VanDerWaalsContact O-N 3.08Å; K315-L318 WeakPolarHBondContact O-CB 3.45Å; K315-L318 PolarHBondContact O-N 3.03Å; D316-L318 VanDerWaalsContact C-N 3.32Å; D316-L318 PolarHBondContact O-N 3.38Å; L318-N321 PolarHBondContact O-N 3.3Å; L318-L322 HydrophobicContact CD1-CD1 4.31Å; L318-L322 HydrophobicContact CD1-CG 4.42Å; L318-L322 HydrophobicContact CG-CD1 4.16Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.71Å
319V94.1Very high89.5Confident12 Ų1245 Ų457%0.07323%0.228CC..Hα-helixtrans-66-42.8176.7171.70000110.9L301 V304 L305 K315 D316 E317 L322 Y323 I349L301-V319 HydrophobicContact CD1-CB 4.41Å; L301-V319 HydrophobicContact CD1-CG1 3.82Å; L301-V319 HydrophobicContact CD1-CG2 4.28Å; V304-V319 HydrophobicContact CG1-CG2 3.73Å; L305-V319 HydrophobicContact CD2-CG2 4.19Å; K315-V319 HydrophobicContact CG-CG2 4.4Å; K315-V319 WeakPolarHBondContact O-CG2 3.4Å; K315-V319 PolarHBondContact O-N 3.13Å; D316-V319 PolarHBondContact O-N 3.04Å; D316-V319 VanDerWaalsContact O-N 3.14Å; E317-V319 VanDerWaalsContact C-N 3.32Å; E317-V319 PolarHBondContact O-N 3.06Å; V319-L322 PolarHBondContact O-N 3.23Å; V319-Y323 HydrophobicContact CG1-CD2 3.83Å; V319-Y323 HydrophobicContact CG1-CE2 3.59Å; V319-Y323 WeakPolarHBondContact O-CD2 3.34Å; V319-Y323 PolarHBondContact O-N 3.3Å; V319-I349 HydrophobicContact CB-CD1 4.38Å; V319-I349 HydrophobicContact CG1-CD1 3.71Å
320G93.9Very high90.3Very high2 Ų240.4 Ų40.42%0.02121%0.209CC..Hα-helixtrans-58-48.7173.100000112.1D316 E317 L322 Y323 S324 D346D316-G320 PolarHBondContact O-N 3.42Å; E317-G320 PolarHBondContact O-N 2.92Å; G320-L322 VanDerWaalsContact C-N 3.3Å; G320-L322 PolarHBondContact O-N 2.92Å; G320-Y323 PolarHBondContact O-N 2.97Å; G320-Y323 VanDerWaalsContact O-N 3.13Å; G320-S324 PolarHBondContact O-N 3.27Å; G320-D346 WeakPolarHBondContact CA-OD1 3.4Å; G320-D346 VanDerWaalsContact O-OD1 3.04Å
321N93.9Very high91.1Very high47 Ų4731.9 Ų31.925%0.25117%0.169SC..Hα-helixtrans-58.1-40.4176.7-71.6-19.4000112.6E317 L318 S324 C325 R361E317-N321 PolarHBondContact O-N 3.33Å; L318-N321 PolarHBondContact O-N 3.3Å; N321-S324 WeakPolarHBondContact O-CB 3.41Å; N321-S324 PolarHBondContact O-N 3.32Å; N321-C325 PolarHBondContact O-N 3.33Å; N321-C325 PolarHBondContact O-SG 3.06Å; N321-C325 VanDerWaalsContact O-SG 3.34Å; N321-R361 PolarHBondContact OD1-NH2 3.36Å
322L96.6Very high91.9Very high0 Ų029.6 Ų29.60%016%0.158CC..Hα-helixtrans-67.5-38.8177-73.3166.4000112.5L278 I281 V300 L301 V304 L318 V319 G320 S324 C325 I326L278-L322 HydrophobicContact CD2-CD2 3.72Å; L278-L322 HydrophobicContact CD2-CG 4.35Å; I281-L322 HydrophobicContact CD1-CD2 3.97Å; V300-L322 HydrophobicContact CB-CD2 4.19Å; V300-L322 HydrophobicContact CG1-CD1 3.97Å; V300-L322 HydrophobicContact CG1-CD2 3.83Å; L301-L322 HydrophobicContact CB-CB 4.35Å; L301-L322 HydrophobicContact CB-CD1 4.24Å; L301-L322 HydrophobicContact CD1-CB 4.17Å; L301-L322 HydrophobicContact CD1-CD1 4.27Å; V304-L322 HydrophobicContact CB-CD1 4.26Å; V304-L322 HydrophobicContact CG2-CD1 3.88Å; L318-L322 HydrophobicContact CD1-CD1 4.31Å; L318-L322 HydrophobicContact CD1-CG 4.42Å; L318-L322 HydrophobicContact CG-CD1 4.16Å; L318-L322 WeakPolarHBondContact O-CG 3.47Å; L318-L322 PolarHBondContact O-N 2.71Å; V319-L322 PolarHBondContact O-N 3.23Å; G320-L322 VanDerWaalsContact C-N 3.3Å; G320-L322 PolarHBondContact O-N 2.92Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.41Å; L322-C325 PolarHBondContact O-N 2.94Å; L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.44Å; L322-I326 PolarHBondContact O-N 3.05Å
323Y97.7Very high92.4Very high42 Ų4231.5 Ų31.517%0.16517%0.168CC..Hα-helixtrans-62.7-36.5171.9-82.2-57000112.3L301 V319 G320 I326 G327 K345 I349L301-Y323 HydrophobicContact CD1-CE2 4.41Å; L301-Y323 HydrophobicContact CD2-CD1 4.12Å; L301-Y323 HydrophobicContact CD2-CE1 3.59Å; L301-Y323 HydrophobicContact CD2-CE2 4.38Å; V319-Y323 HydrophobicContact CG1-CD2 3.83Å; V319-Y323 HydrophobicContact CG1-CE2 3.59Å; V319-Y323 WeakPolarHBondContact O-CD2 3.34Å; V319-Y323 PolarHBondContact O-N 3.3Å; G320-Y323 PolarHBondContact O-N 2.97Å; G320-Y323 VanDerWaalsContact O-N 3.13Å; Y323-I326 HydrophobicContact CD1-CD1 4.46Å; Y323-I326 PolarHBondContact O-N 2.89Å; Y323-G327 PolarHBondContact O-N 3.34Å; Y323-K345 HydrophobicContact CD1-CB 4.26Å; Y323-K345 HydrophobicContact CD1-CD 3.98Å; Y323-K345 HydrophobicContact CD2-CB 3.96Å; Y323-K345 HydrophobicContact CE1-CD 3.55Å; Y323-K345 HydrophobicContact CE2-CB 4.19Å; Y323-K345 HydrophobicContact CE2-CD 4.16Å; Y323-K345 HydrophobicContact CG-CB 4Å; Y323-K345 HydrophobicContact CG-CD 4.49Å; Y323-I349 HydrophobicContact CD2-CD1 3.82Å; Y323-I349 HydrophobicContact CE2-CD1 4.1Å
324S95.5Very high93Very high4 Ų429 Ų293%0.02816%0.161CC..Hα-helixtrans-63.8-43.2172.5-168.40000112.7G320 N321 L322 I326 G327 N328 H343 R361 N365G320-S324 PolarHBondContact O-N 3.27Å; N321-S324 WeakPolarHBondContact O-CB 3.41Å; N321-S324 PolarHBondContact O-N 3.32Å; L322-S324 VanDerWaalsContact C-N 3.29Å; L322-S324 PolarHBondContact O-N 3.41Å; S324-I326 VanDerWaalsContact C-N 3.34Å; S324-G327 PolarHBondContact O-N 3.3Å; S324-N328 VanDerWaalsContact O-CG 3.3Å; S324-N328 PolarHBondContact O-N 3.46Å; S324-N328 PolarHBondContact O-OD1 3.46Å; S324-H343 PolarHBondContact O-CE1 3.34Å; S324-R361 PolarHBondContact OG-NH1 2.96Å; S324-N365 PolarHBondContact OG-ND2 2.66Å
325C95.1Very high93.5Very high34 Ų3428.5 Ų28.523%0.2316%0.155CC..Hα-helixtrans-62.6-41.7176-66.90000112I281 A297 N321 L322 N328 A329I281-C325 HydrophobicContact CG2-CB 3.8Å; A297-C325 HydrophobicContact CB-CB 4.37Å; N321-C325 PolarHBondContact O-N 3.33Å; N321-C325 PolarHBondContact O-SG 3.06Å; N321-C325 VanDerWaalsContact O-SG 3.34Å; L322-C325 PolarHBondContact O-N 2.94Å; C325-N328 PolarHBondContact O-N 2.88Å; C325-A329 PolarHBondContact O-N 3.29Å
326I97.2Very high93.7Very high7 Ų729.1 Ų29.14%0.03616%0.159CC..Hα-helixtrans-60.4-47.5174.7-71.7168.6000110.3L294 A297 E298 L301 L322 Y323 S324 N328 A329 Q330 S342L294-I326 HydrophobicContact CD1-CB 4.29Å; L294-I326 HydrophobicContact CD1-CG1 4.34Å; L294-I326 HydrophobicContact CD1-CG2 3.69Å; A297-I326 HydrophobicContact CB-CD1 4.42Å; A297-I326 HydrophobicContact CB-CG1 3.6Å; E298-I326 HydrophobicContact CG-CD1 4.01Å; E298-I326 HydrophobicContact CG-CG1 4.31Å; L301-I326 HydrophobicContact CD2-CD1 3.67Å; L322-I326 VanDerWaalsContact O-CG1 3.3Å; L322-I326 WeakPolarHBondContact O-CG1 3.44Å; L322-I326 PolarHBondContact O-N 3.05Å; Y323-I326 HydrophobicContact CD1-CD1 4.46Å; Y323-I326 PolarHBondContact O-N 2.89Å; S324-I326 VanDerWaalsContact C-N 3.34Å; I326-N328 PolarHBondContact O-N 3.37Å; I326-A329 PolarHBondContact O-N 3Å; I326-Q330 HydrophobicContact CG2-CG 4.4Å; I326-Q330 WeakPolarHBondContact O-CB 3.46Å; I326-Q330 VanDerWaalsContact O-CG 3.3Å; I326-Q330 WeakPolarHBondContact O-CG 3.47Å; I326-Q330 PolarHBondContact O-N 2.86Å; I326-S342 WeakPolarHBondContact CG2-OG 3.32Å
327G96.2Very high94Very high0 Ų035.3 Ų35.30%019%0.187CC..Hα-helixtrans-59.6-44.8177.700000112.5Y323 S324 A329 Q330 I331 H343Y323-G327 PolarHBondContact O-N 3.34Å; S324-G327 PolarHBondContact O-N 3.3Å; G327-A329 VanDerWaalsContact C-N 3.35Å; G327-A329 PolarHBondContact O-N 3.2Å; G327-Q330 WeakPolarHBondContact O-CB 3.38Å; G327-Q330 PolarHBondContact O-N 2.9Å; G327-Q330 VanDerWaalsContact O-N 3.17Å; G327-I331 WeakPolarHBondContact O-CG1 3.42Å; G327-I331 PolarHBondContact O-N 2.88Å; G327-H343 VanDerWaalsContact C-NE2 3.3Å; G327-H343 WeakPolarHBondContact CA-NE2 3.36Å
328N93.9Very high94.3Very high30 Ų3032.9 Ų32.916%0.1618%0.18CC..Hα-helixtrans-60.9-42.1175.5-70.7-5.4000112.1L285 S324 C325 I326 I331 E332 H343 N365L285-N328 HydrophobicContact CD2-CB 3.98Å; S324-N328 VanDerWaalsContact O-CG 3.3Å; S324-N328 PolarHBondContact O-N 3.46Å; S324-N328 PolarHBondContact O-OD1 3.46Å; C325-N328 PolarHBondContact O-N 2.88Å; I326-N328 PolarHBondContact O-N 3.37Å; N328-I331 WeakPolarHBondContact O-CB 3.42Å; N328-I331 PolarHBondContact O-N 3.47Å; N328-E332 WeakPolarHBondContact O-CG 3.31Å; N328-E332 PolarHBondContact O-N 3.23Å; N328-H343 PolarHBondContact OD1-CE1 2.99Å; N328-N365 PolarHBondContact OD1-OD1 3.4Å; N328-N365 VanDerWaalsContact OD1-OD1 3.07Å
329A95.4Very high94.5Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-65.4-39.4175.500000112.1L285 L294 C325 I326 G327 E332 L333L285-A329 HydrophobicContact CD1-CB 4.13Å; L294-A329 HydrophobicContact CB-CB 3.88Å; L294-A329 HydrophobicContact CD1-CB 4.44Å; C325-A329 PolarHBondContact O-N 3.29Å; I326-A329 PolarHBondContact O-N 3Å; G327-A329 VanDerWaalsContact C-N 3.35Å; G327-A329 PolarHBondContact O-N 3.2Å; A329-E332 PolarHBondContact O-N 3.27Å; A329-L333 VanDerWaalsContact O-CG 3.32Å; A329-L333 WeakPolarHBondContact O-CG 3.29Å; A329-L333 PolarHBondContact O-N 3.08Å
330Q96.1Very high94.6Very high16 Ų1633.2 Ų33.28%0.07518%0.181CC..Hα-helixtrans-66.1-37.7176.7-73.8167.8-23.500112.5L294 I326 G327 E332 L333 G334 Q335 A338 A339 S342L294-Q330 HydrophobicContact CD1-CG 4.09Å; L294-Q330 HydrophobicContact CD2-CG 4.45Å; I326-Q330 HydrophobicContact CG2-CG 4.4Å; I326-Q330 WeakPolarHBondContact O-CB 3.46Å; I326-Q330 VanDerWaalsContact O-CG 3.3Å; I326-Q330 WeakPolarHBondContact O-CG 3.47Å; I326-Q330 PolarHBondContact O-N 2.86Å; G327-Q330 WeakPolarHBondContact O-CB 3.38Å; G327-Q330 PolarHBondContact O-N 2.9Å; G327-Q330 VanDerWaalsContact O-N 3.17Å; Q330-E332 VanDerWaalsContact C-N 3.29Å; Q330-E332 PolarHBondContact O-N 3.33Å; Q330-L333 CarbonylContact O-C 3.58Å; Q330-L333 PolarHBondContact O-N 3.38Å; Q330-G334 PolarHBondContact O-N 2.95Å; Q330-G334 VanDerWaalsContact O-N 3.13Å; Q330-Q335 HydrophobicContact CB-CB 4.18Å; Q330-Q335 PolarHBondContact O-N 2.68Å; Q330-A338 HydrophobicContact CG-CB 4.35Å; Q330-A338 PolarHBondContact OE1-O 3.17Å; Q330-A338 VanDerWaalsContact OE1-O 3.05Å; Q330-A339 HydrophobicContact CB-CB 3.82Å; Q330-A339 VanDerWaalsContact OE1-CA 3.27Å; Q330-S342 PolarHBondContact OE1-OG 3.29Å
331I92.6Very high94.8Very high6 Ų639 Ų393%0.03121%0.208CC..Hα-helixtrans-55.7-46.8171.9-76.3175.4000110.3G327 N328 L333 G334 A339 V369 R372G327-I331 WeakPolarHBondContact O-CG1 3.42Å; G327-I331 PolarHBondContact O-N 2.88Å; N328-I331 WeakPolarHBondContact O-CB 3.42Å; N328-I331 PolarHBondContact O-N 3.47Å; I331-L333 VanDerWaalsContact C-N 3.31Å; I331-L333 PolarHBondContact O-N 3.32Å; I331-G334 PolarHBondContact O-N 3.5Å; I331-G334 VanDerWaalsContact O-N 3.14Å; I331-A339 HydrophobicContact CG1-CB 3.64Å; I331-V369 HydrophobicContact CD1-CG2 3.59Å; I331-V369 HydrophobicContact CG1-CG2 3.86Å; I331-R372 PolarHBondContact O-NH1 3.04Å
332E90.3Very high95Very high48 Ų4837.2 Ų37.222%0.22420%0.2CC..Hα-helixtrans-70.4-25.7179.6-64.3-62.7103.800113.2R188 V196 L285 A290 N328 A329 Q330 G334 R372R188-E332 IonicContact CZ-OE2 3.91Å; R188-E332 IonicContact NH2-OE2 2.84Å; R188-E332 PolarHBondContact NH2-OE2 2.97Å; V196-E332 WeakPolarHBondContact CG2-OE1 3.32Å; L285-E332 HydrophobicContact CD1-CB 4.5Å; L285-E332 HydrophobicContact CD1-CG 4.08Å; A290-E332 HydrophobicContact CB-CB 3.75Å; N328-E332 WeakPolarHBondContact O-CG 3.31Å; N328-E332 PolarHBondContact O-N 3.23Å; A329-E332 PolarHBondContact O-N 3.27Å; Q330-E332 VanDerWaalsContact C-N 3.29Å; Q330-E332 PolarHBondContact O-N 3.33Å; E332-G334 VanDerWaalsContact C-N 3.29Å; E332-R372 IonicContact OE1-CZ 3.39Å; E332-R372 IonicContact OE1-NH1 2.62Å; E332-R372 IonicContact OE1-NH2 2.74Å; E332-R372 PolarHBondContact OE1-NH2 3.04Å
333L92.1Very high95Very high54 Ų5437.2 Ų37.228%0.28320%0.2SC..THydrogen-bonded Turntrans-83.7-1.1172.4-65171.2000113.5A290 E291 L294 A329 Q330 I331 Q335A290-L333 HydrophobicContact CB-CD2 3.79Å; A290-L333 HydrophobicContact CB-CG 3.88Å; E291-L333 HydrophobicContact CG-CD1 4.42Å; E291-L333 HydrophobicContact CG-CD2 3.52Å; L294-L333 HydrophobicContact CB-CD1 4.43Å; L294-L333 HydrophobicContact CD2-CD1 3.62Å; A329-L333 VanDerWaalsContact O-CG 3.32Å; A329-L333 WeakPolarHBondContact O-CG 3.29Å; A329-L333 PolarHBondContact O-N 3.08Å; Q330-L333 CarbonylContact O-C 3.58Å; Q330-L333 PolarHBondContact O-N 3.38Å; I331-L333 VanDerWaalsContact C-N 3.31Å; I331-L333 PolarHBondContact O-N 3.32Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 HydrophobicContact CB-CG 4.1Å; L333-Q335 PolarHBondContact O-N 3.22Å
334G90.8Very high95Very high49 Ų4941.9 Ų41.951%0.50522%0.217SC..THydrogen-bonded Turntrans74.99.9-176.600000114.6Q330 I331 E332 M336Q330-G334 PolarHBondContact O-N 2.95Å; Q330-G334 VanDerWaalsContact O-N 3.13Å; I331-G334 PolarHBondContact O-N 3.5Å; I331-G334 VanDerWaalsContact O-N 3.14Å; E332-G334 VanDerWaalsContact C-N 3.29Å; G334-M336 VanDerWaalsContact C-N 3.31Å; G334-M336 PolarHBondContact O-N 2.91Å
335Q94.3Very high95.1Very high91 Ų9146 Ų4643%0.42523%0.234SC..  trans-86.165.8-177.8-61.9176.82.400111.2Q330 L333 E337 A338 A339Q330-Q335 HydrophobicContact CB-CB 4.18Å; Q330-Q335 PolarHBondContact O-N 2.68Å; L333-Q335 VanDerWaalsContact C-N 3.26Å; L333-Q335 HydrophobicContact CB-CG 4.1Å; L333-Q335 PolarHBondContact O-N 3.22Å; Q335-E337 PolarHBondContact O-N 2.84Å; Q335-A338 HydrophobicContact CB-CB 4.2Å; Q335-A338 PolarHBondContact O-N 3.34Å; Q335-A339 PolarHBondContact O-N 3.15Å
336M93.3Very high95.2Very high46 Ų4644.4 Ų44.423%0.22722%0.223CC..Hα-helixtrans-62-38.6-168.7-57.8-57.2174.700114.1G334 A339 L340 V369 R372 V373G334-M336 VanDerWaalsContact C-N 3.31Å; G334-M336 PolarHBondContact O-N 2.91Å; M336-A339 PolarHBondContact O-N 2.89Å; M336-L340 WeakPolarHBondContact O-CB 3.44Å; M336-L340 PolarHBondContact O-N 3.03Å; M336-V369 HydrophobicContact CB-CG1 4.39Å; M336-R372 HydrophobicContact CE-CB 3.97Å; M336-R372 HydrophobicContact CE-CG 4.48Å; M336-R372 HydrophobicContact SD-CB 4.13Å; M336-V373 HydrophobicContact CB-CG2 3.58Å; M336-V373 HydrophobicContact CG-CG2 3.79Å
337E94.6Very high95.2Very high162 Ų16245 Ų4576%0.75723%0.226SC*.Hα-helixtrans-66.4-42.2178.5-65.4-170.2167.600112.1Q335 L340 Q341Q335-E337 PolarHBondContact O-N 2.84Å; E337-L340 PolarHBondContact O-N 2.99Å; E337-Q341 WeakPolarHBondContact O-CG 3.4Å; E337-Q341 PolarHBondContact O-N 3.25Å; E337-Q341 VanDerWaalsContact O-N 3.15Å
338A95.6Very high95.2Very high28 Ų2851.2 Ų51.223%0.23126%0.255CS..Hα-helixtrans-66.5-42.817700000110.9Q330 Q335 L340 Q341 S342Q330-A338 HydrophobicContact CG-CB 4.35Å; Q330-A338 PolarHBondContact OE1-O 3.17Å; Q330-A338 VanDerWaalsContact OE1-O 3.05Å; Q335-A338 HydrophobicContact CB-CB 4.2Å; Q335-A338 PolarHBondContact O-N 3.34Å; A338-L340 VanDerWaalsContact C-N 3.32Å; A338-L340 PolarHBondContact O-N 2.86Å; A338-Q341 WeakPolarHBondContact O-CB 3.44Å; A338-Q341 PolarHBondContact O-N 3.1Å; A338-Q341 VanDerWaalsContact O-N 3.15Å; A338-S342 PolarHBondContact O-N 3.23Å; A338-S342 PolarHBondContact O-OG 3.48Å; A338-S342 VanDerWaalsContact O-OG 3.14Å
339A96.3Very high95.2Very high0 Ų050.9 Ų50.90%025%0.253CS..Hα-helixtrans-57.2-45.6175.200000112Q330 I331 Q335 M336 Q341 S342 H343 V369Q330-A339 HydrophobicContact CB-CB 3.82Å; Q330-A339 VanDerWaalsContact OE1-CA 3.27Å; I331-A339 HydrophobicContact CG1-CB 3.64Å; Q335-A339 PolarHBondContact O-N 3.15Å; M336-A339 PolarHBondContact O-N 2.89Å; A339-Q341 VanDerWaalsContact C-N 3.31Å; A339-Q341 PolarHBondContact O-N 3.02Å; A339-S342 PolarHBondContact O-N 3.15Å; A339-H343 PolarHBondContact O-CD2 3Å; A339-H343 PolarHBondContact O-N 3.21Å; A339-V369 HydrophobicContact CB-CG2 4.09Å
340L96Very high95.2Very high31 Ų3151 Ų5116%0.16225%0.254CS..Hα-helixtrans-60.2-41.6177.5-171.463.4000111.8M336 E337 A338 R344 I366 V369 F370M336-L340 WeakPolarHBondContact O-CB 3.44Å; M336-L340 PolarHBondContact O-N 3.03Å; E337-L340 PolarHBondContact O-N 2.99Å; A338-L340 VanDerWaalsContact C-N 3.32Å; A338-L340 PolarHBondContact O-N 2.86Å; L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.39Å; L340-R344 PolarHBondContact O-N 3.24Å; L340-I366 HydrophobicContact CD1-CG1 4.48Å; L340-I366 HydrophobicContact CD1-CG2 3.74Å; L340-V369 HydrophobicContact CB-CG1 4.08Å; L340-V369 HydrophobicContact CD1-CB 4.44Å; L340-V369 HydrophobicContact CD1-CG1 4.27Å; L340-F370 HydrophobicContact CD1-CE1 4.26Å; L340-F370 HydrophobicContact CD1-CE2 4.45Å; L340-F370 HydrophobicContact CD1-CZ 4.08Å; L340-F370 HydrophobicContact CD2-CE1 4.01Å; L340-F370 HydrophobicContact CD2-CZ 4.29Å
341Q97.3Very high95.1Very high123 Ų12356.1 Ų56.158%0.57528%0.277SS*.Hα-helixtrans-64.5-42.8176.2-69175.815.200111.7E337 A338 A339 R344 K345E337-Q341 WeakPolarHBondContact O-CG 3.4Å; E337-Q341 PolarHBondContact O-N 3.25Å; E337-Q341 VanDerWaalsContact O-N 3.15Å; A338-Q341 WeakPolarHBondContact O-CB 3.44Å; A338-Q341 PolarHBondContact O-N 3.1Å; A338-Q341 VanDerWaalsContact O-N 3.15Å; A339-Q341 VanDerWaalsContact C-N 3.31Å; A339-Q341 PolarHBondContact O-N 3.02Å; Q341-R344 PolarHBondContact O-N 3.46Å; Q341-K345 WeakPolarHBondContact O-CG 3.49Å; Q341-K345 PolarHBondContact O-N 3.44Å; Q341-K345 VanDerWaalsContact O-N 3.09Å
342S97.5Very high95.3Very high11 Ų1162.2 Ų62.28%0.07731%0.305CS..Hα-helixtrans-62.6-47.5178.2-60.90000111.7I326 Q330 A338 A339 R344 K345 D346I326-S342 WeakPolarHBondContact CG2-OG 3.32Å; Q330-S342 PolarHBondContact OE1-OG 3.29Å; A338-S342 PolarHBondContact O-N 3.23Å; A338-S342 PolarHBondContact O-OG 3.48Å; A338-S342 VanDerWaalsContact O-OG 3.14Å; A339-S342 PolarHBondContact O-N 3.15Å; S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 3.4Å; S342-K345 PolarHBondContact O-N 2.89Å; S342-D346 PolarHBondContact O-N 3.35Å; S342-D346 VanDerWaalsContact O-N 3.16Å
343H97.5Very high95.3Very high0 Ų064 Ų640%031%0.31CS..Hα-helixtrans-69.2-28.7177.4-64.2-56.8000113.4S324 G327 N328 A339 D346 L347 N365 I366S324-H343 PolarHBondContact O-CE1 3.34Å; G327-H343 VanDerWaalsContact C-NE2 3.3Å; G327-H343 WeakPolarHBondContact CA-NE2 3.36Å; N328-H343 PolarHBondContact OD1-CE1 2.99Å; A339-H343 PolarHBondContact O-CD2 3Å; A339-H343 PolarHBondContact O-N 3.21Å; H343-D346 PolarHBondContact O-N 2.87Å; H343-L347 WeakPolarHBondContact O-CB 3.5Å; H343-L347 PolarHBondContact O-N 3.43Å; H343-N365 HydrophobicContact CB-CB 4.25Å; H343-N365 VanDerWaalsContact CE1-CG 3.45Å; H343-N365 WeakPolarHBondContact ND1-CB 3.35Å; H343-I366 HydrophobicContact CB-CD1 4.46Å; H343-I366 HydrophobicContact CB-CG1 3.68Å
344R97.1Very high95.3Very high139 Ų13968.3 Ų68.353%0.52533%0.333SS..Hα-helixtrans-65.7-38.7171-79.3176.1179.8-148.5-0.1112.7L340 Q341 S342 L347 E348 I366L340-R344 WeakPolarHBondContact O-CB 3.31Å; L340-R344 WeakPolarHBondContact O-CG 3.39Å; L340-R344 PolarHBondContact O-N 3.24Å; Q341-R344 PolarHBondContact O-N 3.46Å; S342-R344 VanDerWaalsContact C-N 3.33Å; S342-R344 PolarHBondContact O-N 3.4Å; R344-L347 PolarHBondContact O-N 3.5Å; R344-E348 WeakPolarHBondContact O-CB 3.09Å; R344-E348 PolarHBondContact O-N 3.06Å; R344-I366 HydrophobicContact CG-CD1 4.26Å
345K97.1Very high95.2Very high92 Ų9268 Ų6840%0.432%0.32SS..Hα-helixtrans-64.3-42.5174.7-72.5179.8179.7-179.40111.7Y323 Q341 S342 E348 I349Y323-K345 HydrophobicContact CD1-CB 4.26Å; Y323-K345 HydrophobicContact CD1-CD 3.98Å; Y323-K345 HydrophobicContact CD2-CB 3.96Å; Y323-K345 HydrophobicContact CE1-CD 3.55Å; Y323-K345 HydrophobicContact CE2-CB 4.19Å; Y323-K345 HydrophobicContact CE2-CD 4.16Å; Y323-K345 HydrophobicContact CG-CB 4Å; Y323-K345 HydrophobicContact CG-CD 4.49Å; Q341-K345 WeakPolarHBondContact O-CG 3.49Å; Q341-K345 PolarHBondContact O-N 3.44Å; Q341-K345 VanDerWaalsContact O-N 3.09Å; S342-K345 PolarHBondContact O-N 2.89Å; K345-E348 WeakPolarHBondContact O-CB 3.5Å; K345-E348 PolarHBondContact O-N 3.34Å; K345-I349 WeakPolarHBondContact O-CD1 3.34Å; K345-I349 VanDerWaalsContact O-CG1 3.3Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.15Å
346D97.3Very high95Very high0 Ų068 Ų680%033%0.328CS..Hα-helixtrans-61.2-42.7173.5171.248.1000111.9G320 S342 H343 E348 I349 A350 R361 A362G320-D346 WeakPolarHBondContact CA-OD1 3.4Å; G320-D346 VanDerWaalsContact O-OD1 3.04Å; S342-D346 PolarHBondContact O-N 3.35Å; S342-D346 VanDerWaalsContact O-N 3.16Å; H343-D346 PolarHBondContact O-N 2.87Å; D346-E348 PolarHBondContact O-N 3.23Å; D346-I349 PolarHBondContact O-N 3.4Å; D346-A350 WeakPolarHBondContact O-CB 3.3Å; D346-A350 PolarHBondContact O-N 3.47Å; D346-R361 VanDerWaalsContact CG-NH1 3.31Å; D346-R361 IonicContact OD1-CZ 2.63Å; D346-R361 IonicContact OD1-NH1 2.73Å; D346-R361 PolarHBondContact OD1-NH1 3Å; D346-R361 IonicContact OD1-NH2 3.55Å; D346-R361 PolarHBondContact OD1-NH2 3.39Å; D346-R361 IonicContact OD2-CZ 3.43Å; D346-R361 IonicContact OD2-NH1 3.54Å; D346-R361 PolarHBondContact OD2-NH1 2.98Å; D346-R361 IonicContact OD2-NH2 2.75Å; D346-A362 HydrophobicContact CB-CB 4.48Å; D346-A362 VanDerWaalsContact OD2-CB 3.27Å; D346-A362 WeakPolarHBondContact OD2-CB 3.41Å
347L97Very high94.7Very high19 Ų1972.4 Ų72.410%0.09935%0.352CS..Hα-helixtrans-62.6-39.9173.3-177.662.6000113H343 R344 A350 K351 K359 A362 L363 I366H343-L347 WeakPolarHBondContact O-CB 3.5Å; H343-L347 PolarHBondContact O-N 3.43Å; R344-L347 PolarHBondContact O-N 3.5Å; L347-A350 PolarHBondContact O-N 3.12Å; L347-K351 HydrophobicContact CD1-CD 4.49Å; L347-K351 HydrophobicContact CD1-CG 4.46Å; L347-K351 HydrophobicContact CG-CD 4.28Å; L347-K351 WeakPolarHBondContact O-CG 3.31Å; L347-K351 PolarHBondContact O-N 3.43Å; L347-K359 HydrophobicContact CD1-CG 3.87Å; L347-A362 HydrophobicContact CB-CB 3.74Å; L347-A362 HydrophobicContact CD1-CB 4.05Å; L347-L363 HydrophobicContact CD1-CD2 3.87Å; L347-L363 HydrophobicContact CD1-CG 3.92Å; L347-L363 HydrophobicContact CD2-CD2 3.77Å; L347-L363 HydrophobicContact CG-CD2 4.5Å; L347-I366 HydrophobicContact CB-CD1 4.22Å; L347-I366 HydrophobicContact CD2-CD1 3.77Å
348E97.1Very high94.5Very high130 Ų13065.1 Ų65.161%0.60732%0.32SS*.Hα-helixtrans-62.5-49178.3-175.9173.7-165.300110.8R344 K345 D346 A350 K351 E352R344-E348 WeakPolarHBondContact O-CB 3.09Å; R344-E348 PolarHBondContact O-N 3.06Å; K345-E348 WeakPolarHBondContact O-CB 3.5Å; K345-E348 PolarHBondContact O-N 3.34Å; D346-E348 PolarHBondContact O-N 3.23Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 3.5Å; E348-K351 PolarHBondContact O-N 3.27Å; E348-E352 WeakPolarHBondContact O-CB 3.2Å; E348-E352 PolarHBondContact O-N 3.34Å
349I94.4Very high94.4Very high23 Ų2368.3 Ų68.312%0.11833%0.329CS..Hα-helixtrans-59.9-46174.8-66.2162.6000110.4D316 V319 Y323 K345 D346 K351 E352 Y353D316-I349 WeakPolarHBondContact O-CG2 3.34Å; V319-I349 HydrophobicContact CB-CD1 4.38Å; V319-I349 HydrophobicContact CG1-CD1 3.71Å; Y323-I349 HydrophobicContact CD2-CD1 3.82Å; Y323-I349 HydrophobicContact CE2-CD1 4.1Å; K345-I349 WeakPolarHBondContact O-CD1 3.34Å; K345-I349 VanDerWaalsContact O-CG1 3.3Å; K345-I349 WeakPolarHBondContact O-CG1 3.5Å; K345-I349 PolarHBondContact O-N 3.15Å; D346-I349 PolarHBondContact O-N 3.4Å; I349-K351 PolarHBondContact O-N 3.25Å; I349-E352 PolarHBondContact O-N 3.07Å; I349-Y353 HydrophobicContact CG2-CD2 3.96Å; I349-Y353 HydrophobicContact CG2-CE2 4.41Å; I349-Y353 WeakPolarHBondContact O-CD2 3.2Å; I349-Y353 PolarHBondContact O-N 3.13Å
350A94.6Very high94.3Very high2 Ų271.5 Ų71.52%0.01735%0.351CS..Hα-helixtrans-61.1-34.7179.600000112.7D346 L347 E348 D354 L355 A358 K359D346-A350 WeakPolarHBondContact O-CB 3.3Å; D346-A350 PolarHBondContact O-N 3.47Å; L347-A350 PolarHBondContact O-N 3.12Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 3.5Å; A350-D354 PolarHBondContact O-N 2.91Å; A350-L355 HydrophobicContact CB-CB 4.49Å; A350-L355 PolarHBondContact O-N 3.44Å; A350-A358 HydrophobicContact CB-CB 3.73Å; A350-K359 HydrophobicContact CB-CB 4Å
351K95.1Very high94.2Very high125 Ų12572.3 Ų72.354%0.54335%0.351SS..Hα-helixtrans-74.7-41.2174.9-74.4174.7179.5177.30112.5L347 E348 I349 Y353 D354L347-K351 HydrophobicContact CD1-CD 4.49Å; L347-K351 HydrophobicContact CD1-CG 4.46Å; L347-K351 HydrophobicContact CG-CD 4.28Å; L347-K351 WeakPolarHBondContact O-CG 3.31Å; L347-K351 PolarHBondContact O-N 3.43Å; E348-K351 PolarHBondContact O-N 3.27Å; I349-K351 PolarHBondContact O-N 3.25Å; K351-Y353 VanDerWaalsContact C-N 3.3Å; K351-Y353 PolarHBondContact O-N 3.46Å; K351-D354 PolarHBondContact O-N 3.45Å
352E95.5Very high94Very high134 Ų13466.4 Ų66.463%0.62632%0.324SS*.Hα-helixtrans-62.1-39.5-179.5-173.5-178174.100111.7E348 I349E348-E352 WeakPolarHBondContact O-CB 3.2Å; E348-E352 PolarHBondContact O-N 3.34Å; I349-E352 PolarHBondContact O-N 3.07Å
353Y91.1Very high93.9Very high85 Ų8568 Ų6833%0.33333%0.332SS..THydrogen-bonded Turntrans-102.510.4-176.3-66.4-81.7000114.3K309 D316 I349 K351 L355K309-Y353 PolarHBondContact NZ-OH 2.93Å; D316-Y353 HydrophobicContact CB-CD1 4.18Å; D316-Y353 HydrophobicContact CB-CD2 3.73Å; D316-Y353 HydrophobicContact CB-CE1 3.96Å; D316-Y353 HydrophobicContact CB-CE2 3.53Å; D316-Y353 HydrophobicContact CB-CG 4.07Å; D316-Y353 PolarHBondContact OD1-OH 3.5Å; D316-Y353 VanDerWaalsContact OD2-CE1 3.27Å; D316-Y353 WeakPolarHBondContact OD2-CE1 3.47Å; I349-Y353 HydrophobicContact CG2-CD2 3.96Å; I349-Y353 HydrophobicContact CG2-CE2 4.41Å; I349-Y353 WeakPolarHBondContact O-CD2 3.2Å; I349-Y353 PolarHBondContact O-N 3.13Å; K351-Y353 VanDerWaalsContact C-N 3.3Å; K351-Y353 PolarHBondContact O-N 3.46Å; Y353-L355 PolarHBondContact O-N 3.47Å
354D91.8Very high93.7Very high144 Ų14472.4 Ų72.477%0.7736%0.355SS*.THydrogen-bonded Turntrans49.452.1179.9-160.929.6000113.6A350 K351 P356A350-D354 PolarHBondContact O-N 2.91Å; K351-D354 PolarHBondContact O-N 3.45Å; D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.05Å
355L89.9Confident93.6Very high43 Ų4365.8 Ų65.823%0.22533%0.33CS..  trans-100.796.2-178.4-59176.1000109.9E317 A350 Y353 D357 A358 K359E317-L355 HydrophobicContact CB-CD1 3.94Å; E317-L355 HydrophobicContact CG-CD1 4.11Å; A350-L355 HydrophobicContact CB-CB 4.49Å; A350-L355 PolarHBondContact O-N 3.44Å; Y353-L355 PolarHBondContact O-N 3.47Å; L355-D357 PolarHBondContact O-N 3.47Å; L355-A358 HydrophobicContact CB-CB 3.84Å; L355-A358 HydrophobicContact CD1-CB 4.46Å; L355-A358 PolarHBondContact O-N 2.7Å; L355-K359 WeakPolarHBondContact O-CB 3.47Å; L355-K359 PolarHBondContact O-N 3Å
356P89.7Confident93.5Very high91 Ų9161.8 Ų61.859%0.59131%0.313SS*.Hα-helixtrans-64.8-40.2-172.724.7-34.2000112.8D354 K359 S360D354-P356 VanDerWaalsContact O-CD 3.23Å; D354-P356 WeakPolarHBondContact O-CD 3.05Å; P356-K359 PolarHBondContact O-N 3.29Å; P356-S360 PolarHBondContact O-N 2.94Å
357D86.9Confident93.3Very high139 Ų13962.3 Ų62.374%0.74332%0.318SS*.Hα-helixtrans-66.5-44.2-179.9-63.5-29.4000111.4L355 K359 S360 R361L355-D357 PolarHBondContact O-N 3.47Å; D357-K359 VanDerWaalsContact C-N 3.32Å; D357-K359 PolarHBondContact O-N 2.89Å; D357-S360 PolarHBondContact O-N 3.38Å; D357-R361 WeakPolarHBondContact O-CB 3.41Å; D357-R361 PolarHBondContact O-N 3.31Å
358A90.1Very high93Very high9 Ų963.1 Ų63.17%0.07432%0.32CS..Hα-helixtrans-65.2-37.1176.100000111.5A350 L355 R361 A362A350-A358 HydrophobicContact CB-CB 3.73Å; L355-A358 HydrophobicContact CB-CB 3.84Å; L355-A358 HydrophobicContact CD1-CB 4.46Å; L355-A358 PolarHBondContact O-N 2.7Å; A358-R361 PolarHBondContact O-N 3.5Å; A358-A362 VanDerWaalsContact O-CB 3.31Å; A358-A362 WeakPolarHBondContact O-CB 3.39Å; A358-A362 PolarHBondContact O-N 3.29Å
359K94.3Very high92.8Very high95 Ų9557 Ų5741%0.41329%0.292SS..Hα-helixtrans-64.1-46.2176.2-178.6-178.8175.7-175.30111.3L347 A350 L355 P356 D357 A362 L363L347-K359 HydrophobicContact CD1-CG 3.87Å; A350-K359 HydrophobicContact CB-CB 4Å; L355-K359 WeakPolarHBondContact O-CB 3.47Å; L355-K359 PolarHBondContact O-N 3Å; P356-K359 PolarHBondContact O-N 3.29Å; D357-K359 VanDerWaalsContact C-N 3.32Å; D357-K359 PolarHBondContact O-N 2.89Å; K359-A362 PolarHBondContact O-N 3.31Å; K359-L363 HydrophobicContact CG-CD1 4.14Å; K359-L363 WeakPolarHBondContact O-CG 3.49Å; K359-L363 PolarHBondContact O-N 3.26Å
360S92.7Very high92.8Very high66 Ų6656.8 Ų56.846%0.46229%0.29SS..Hα-helixtrans-58.5-50.5175.6-166.70000110.7P356 D357 A362 L363 D364P356-S360 PolarHBondContact O-N 2.94Å; D357-S360 PolarHBondContact O-N 3.38Å; S360-A362 VanDerWaalsContact C-N 3.3Å; S360-A362 PolarHBondContact O-N 2.94Å; S360-L363 PolarHBondContact O-N 3.12Å; S360-D364 PolarHBondContact O-N 3.41Å
361R93.7Very high92.5Very high48 Ų4858 Ų5818%0.18130%0.299CS..Hα-helixtrans-57.9-40.9178.3-174.2179.950.550.24.5112.1N321 S324 D346 D357 A358 N365N321-R361 PolarHBondContact OD1-NH2 3.36Å; S324-R361 PolarHBondContact OG-NH1 2.96Å; D346-R361 VanDerWaalsContact CG-NH1 3.31Å; D346-R361 IonicContact OD1-CZ 2.63Å; D346-R361 IonicContact OD1-NH1 2.73Å; D346-R361 PolarHBondContact OD1-NH1 3Å; D346-R361 IonicContact OD1-NH2 3.55Å; D346-R361 PolarHBondContact OD1-NH2 3.39Å; D346-R361 IonicContact OD2-CZ 3.43Å; D346-R361 IonicContact OD2-NH1 3.54Å; D346-R361 PolarHBondContact OD2-NH1 2.98Å; D346-R361 IonicContact OD2-NH2 2.75Å; D357-R361 WeakPolarHBondContact O-CB 3.41Å; D357-R361 PolarHBondContact O-N 3.31Å; A358-R361 PolarHBondContact O-N 3.5Å; R361-N365 WeakPolarHBondContact O-CB 3.41Å; R361-N365 PolarHBondContact O-N 3.41Å; R361-N365 VanDerWaalsContact O-N 3.16Å; R361-N365 PolarHBondContact O-ND2 3.04Å
362A94.4Very high92Very high0 Ų054.6 Ų54.60%028%0.283CS..Hα-helixtrans-68.7-43.9179.600000112.2D346 L347 A358 K359 S360 N365 I366D346-A362 HydrophobicContact CB-CB 4.48Å; D346-A362 VanDerWaalsContact OD2-CB 3.27Å; D346-A362 WeakPolarHBondContact OD2-CB 3.41Å; L347-A362 HydrophobicContact CB-CB 3.74Å; L347-A362 HydrophobicContact CD1-CB 4.05Å; A358-A362 VanDerWaalsContact O-CB 3.31Å; A358-A362 WeakPolarHBondContact O-CB 3.39Å; A358-A362 PolarHBondContact O-N 3.29Å; K359-A362 PolarHBondContact O-N 3.31Å; S360-A362 VanDerWaalsContact C-N 3.3Å; S360-A362 PolarHBondContact O-N 2.94Å; A362-N365 PolarHBondContact O-N 2.75Å; A362-I366 VanDerWaalsContact O-CG1 3.23Å; A362-I366 WeakPolarHBondContact O-CG1 3.45Å; A362-I366 PolarHBondContact O-N 3.26Å
363L95.4Very high91.8Very high45 Ų4551.6 Ų51.624%0.23627%0.274CS..Hα-helixtrans-63.6-46.2177.7-69.1172.8000111.6L347 K359 S360 N365 I366 G367L347-L363 HydrophobicContact CD1-CD2 3.87Å; L347-L363 HydrophobicContact CD1-CG 3.92Å; L347-L363 HydrophobicContact CD2-CD2 3.77Å; L347-L363 HydrophobicContact CG-CD2 4.5Å; K359-L363 HydrophobicContact CG-CD1 4.14Å; K359-L363 WeakPolarHBondContact O-CG 3.49Å; K359-L363 PolarHBondContact O-N 3.26Å; S360-L363 PolarHBondContact O-N 3.12Å; L363-N365 VanDerWaalsContact C-N 3.28Å; L363-N365 PolarHBondContact O-N 3.33Å; L363-I366 PolarHBondContact O-N 3.39Å; L363-I366 VanDerWaalsContact O-N 3.11Å; L363-G367 PolarHBondContact O-N 3.4Å
364D92.4Very high91.6Very high92 Ų9249.4 Ų49.449%0.49228%0.278SS..Hα-helixtrans-55.7-45.5175.7-75.5-0.4000111.1S360 G367 R368S360-D364 PolarHBondContact O-N 3.41Å; D364-G367 PolarHBondContact O-N 2.74Å; D364-R368 WeakPolarHBondContact O-CG 3.39Å; D364-R368 PolarHBondContact O-N 3.16Å
365N94.2Very high91.5Very high0 Ų047.7 Ų47.70%026%0.263CS..Hα-helixtrans-63.2-41.5176.8-83-51.1000113.4S324 N328 H343 R361 A362 L363 R368 V369S324-N365 PolarHBondContact OG-ND2 2.66Å; N328-N365 PolarHBondContact OD1-OD1 3.4Å; N328-N365 VanDerWaalsContact OD1-OD1 3.07Å; H343-N365 HydrophobicContact CB-CB 4.25Å; H343-N365 VanDerWaalsContact CE1-CG 3.45Å; H343-N365 WeakPolarHBondContact ND1-CB 3.35Å; R361-N365 WeakPolarHBondContact O-CB 3.41Å; R361-N365 PolarHBondContact O-N 3.41Å; R361-N365 VanDerWaalsContact O-N 3.16Å; R361-N365 PolarHBondContact O-ND2 3.04Å; A362-N365 PolarHBondContact O-N 2.75Å; L363-N365 VanDerWaalsContact C-N 3.28Å; L363-N365 PolarHBondContact O-N 3.33Å; N365-R368 VanDerWaalsContact CG-NH2 3.32Å; N365-R368 WeakPolarHBondContact O-CB 3.38Å; N365-R368 PolarHBondContact O-N 2.83Å; N365-R368 PolarHBondContact OD1-NE 3.38Å; N365-R368 PolarHBondContact OD1-NH2 3.4Å; N365-V369 WeakPolarHBondContact O-CG2 3.33Å; N365-V369 PolarHBondContact O-N 3.16Å
366I95.6Very high91.4Very high8 Ų850.9 Ų50.94%0.04128%0.276CS..Hα-helixtrans-64.6-43.3177-66.9166.9000110.1L340 H343 R344 L347 A362 L363 R368 V369 F370 T382L340-I366 HydrophobicContact CD1-CG1 4.48Å; L340-I366 HydrophobicContact CD1-CG2 3.74Å; H343-I366 HydrophobicContact CB-CD1 4.46Å; H343-I366 HydrophobicContact CB-CG1 3.68Å; R344-I366 HydrophobicContact CG-CD1 4.26Å; L347-I366 HydrophobicContact CB-CD1 4.22Å; L347-I366 HydrophobicContact CD2-CD1 3.77Å; A362-I366 VanDerWaalsContact O-CG1 3.23Å; A362-I366 WeakPolarHBondContact O-CG1 3.45Å; A362-I366 PolarHBondContact O-N 3.26Å; L363-I366 PolarHBondContact O-N 3.39Å; L363-I366 VanDerWaalsContact O-N 3.11Å; I366-R368 VanDerWaalsContact C-N 3.32Å; I366-R368 PolarHBondContact O-N 3.19Å; I366-V369 PolarHBondContact O-N 3.42Å; I366-V369 VanDerWaalsContact O-N 3.16Å; I366-F370 HydrophobicContact CG2-CD2 3.84Å; I366-F370 HydrophobicContact CG2-CE2 3.49Å; I366-F370 VanDerWaalsContact CG2-CE2 3.49Å; I366-F370 HydrophobicContact CG2-CZ 4.31Å; I366-F370 WeakPolarHBondContact O-CD2 3.25Å; I366-F370 PolarHBondContact O-N 2.73Å; I366-T382 HydrophobicContact CB-CG2 4.13Å; I366-T382 HydrophobicContact CG2-CG2 3.46Å; I366-T382 VanDerWaalsContact CG2-CG2 3.46Å
367G94.1Very high91.3Very high11 Ų1152.3 Ų52.311%0.11327%0.274CS..Hα-helixtrans-56.9-45.517400000111.8L363 D364 V369 F370 A371 A379L363-G367 PolarHBondContact O-N 3.4Å; D364-G367 PolarHBondContact O-N 2.74Å; G367-V369 PolarHBondContact O-N 3.1Å; G367-F370 PolarHBondContact O-N 3.26Å; G367-A371 WeakPolarHBondContact O-CB 3.45Å; G367-A371 PolarHBondContact O-N 3.42Å; G367-A379 WeakPolarHBondContact O-CB 3.49Å
368R90.2Very high91.4Very high35 Ų3549.9 Ų49.913%0.13226%0.258CS..Hα-helixtrans-57.7-43173.9-74.9-170-75.8-126.55.2112.8E193 D364 N365 I366 A371 R372E193-R368 IonicContact OE1-NH2 3.4Å; E193-R368 IonicContact OE2-CZ 3.61Å; E193-R368 IonicContact OE2-NH1 3.33Å; E193-R368 PolarHBondContact OE2-NH1 2.95Å; E193-R368 IonicContact OE2-NH2 2.81Å; E193-R368 PolarHBondContact OE2-NH2 3.29Å; D364-R368 WeakPolarHBondContact O-CG 3.39Å; D364-R368 PolarHBondContact O-N 3.16Å; N365-R368 VanDerWaalsContact CG-NH2 3.32Å; N365-R368 WeakPolarHBondContact O-CB 3.38Å; N365-R368 PolarHBondContact O-N 2.83Å; N365-R368 PolarHBondContact OD1-NE 3.38Å; N365-R368 PolarHBondContact OD1-NH2 3.4Å; I366-R368 VanDerWaalsContact C-N 3.32Å; I366-R368 PolarHBondContact O-N 3.19Å; R368-A371 PolarHBondContact O-N 3.31Å; R368-R372 PolarHBondContact O-N 3.33Å
369V93.8Very high91.2Very high2 Ų250.6 Ų50.61%0.01227%0.265CS..Hα-helixtrans-63.6-45.7176.6177.70000111.1I331 M336 A339 L340 N365 I366 G367 A371 R372 V373I331-V369 HydrophobicContact CD1-CG2 3.59Å; I331-V369 HydrophobicContact CG1-CG2 3.86Å; M336-V369 HydrophobicContact CB-CG1 4.39Å; A339-V369 HydrophobicContact CB-CG2 4.09Å; L340-V369 HydrophobicContact CB-CG1 4.08Å; L340-V369 HydrophobicContact CD1-CB 4.44Å; L340-V369 HydrophobicContact CD1-CG1 4.27Å; N365-V369 WeakPolarHBondContact O-CG2 3.33Å; N365-V369 PolarHBondContact O-N 3.16Å; I366-V369 PolarHBondContact O-N 3.42Å; I366-V369 VanDerWaalsContact O-N 3.16Å; G367-V369 PolarHBondContact O-N 3.1Å; V369-A371 VanDerWaalsContact C-N 3.34Å; V369-A371 PolarHBondContact O-N 3.48Å; V369-R372 PolarHBondContact O-N 3.12Å; V369-V373 HydrophobicContact CG1-CG2 4.46Å; V369-V373 WeakPolarHBondContact O-CG2 3.24Å; V369-V373 PolarHBondContact O-N 3.37Å
370F92.8Very high90.8Very high19 Ų1952 Ų528%0.08328%0.275CS..Hα-helixtrans-63.4-39.3178.4-75.7-46.3000112.7L340 I366 G367 V373 G374 K375 Q378 A379 T382L340-F370 HydrophobicContact CD1-CE1 4.26Å; L340-F370 HydrophobicContact CD1-CE2 4.45Å; L340-F370 HydrophobicContact CD1-CZ 4.08Å; L340-F370 HydrophobicContact CD2-CE1 4.01Å; L340-F370 HydrophobicContact CD2-CZ 4.29Å; I366-F370 HydrophobicContact CG2-CD2 3.84Å; I366-F370 HydrophobicContact CG2-CE2 3.49Å; I366-F370 VanDerWaalsContact CG2-CE2 3.49Å; I366-F370 HydrophobicContact CG2-CZ 4.31Å; I366-F370 WeakPolarHBondContact O-CD2 3.25Å; I366-F370 PolarHBondContact O-N 2.73Å; G367-F370 PolarHBondContact O-N 3.26Å; F370-V373 PolarHBondContact O-N 3.38Å; F370-G374 PolarHBondContact O-N 3.11Å; F370-G374 VanDerWaalsContact O-N 3.14Å; F370-K375 HydrophobicContact CB-CB 4.36Å; F370-K375 HydrophobicContact CD1-CB 4.18Å; F370-K375 HydrophobicContact CD1-CD 4.25Å; F370-K375 PolarHBondContact O-N 2.94Å; F370-Q378 HydrophobicContact CB-CB 4.34Å; F370-Q378 HydrophobicContact CD1-CB 4.02Å; F370-Q378 HydrophobicContact CD2-CB 3.79Å; F370-Q378 WeakPolarHBondContact CD2-O 3.12Å; F370-Q378 HydrophobicContact CE1-CB 4.22Å; F370-Q378 HydrophobicContact CE2-CB 3.99Å; F370-Q378 HydrophobicContact CG-CB 3.81Å; F370-Q378 HydrophobicContact CZ-CB 4.2Å; F370-A379 HydrophobicContact CB-CB 3.74Å; F370-T382 HydrophobicContact CD2-CG2 3.73Å; F370-T382 HydrophobicContact CE2-CG2 3.7Å
371A88.3Confident90.5Very high26 Ų2654.1 Ų54.122%0.21528%0.282CS..Hα-helixtrans-60.5-4517400000111.6G367 R368 V369 V373 G374 A379G367-A371 WeakPolarHBondContact O-CB 3.45Å; G367-A371 PolarHBondContact O-N 3.42Å; R368-A371 PolarHBondContact O-N 3.31Å; V369-A371 VanDerWaalsContact C-N 3.34Å; V369-A371 PolarHBondContact O-N 3.48Å; A371-V373 VanDerWaalsContact C-N 3.3Å; A371-V373 PolarHBondContact O-N 3Å; A371-G374 PolarHBondContact O-N 3.35Å; A371-G374 VanDerWaalsContact O-N 3.09Å; A371-A379 HydrophobicContact CB-CB 4.32Å
372R86.3Confident89.7Confident54 Ų5455.1 Ų55.120%0.20429%0.293CS..Hα-helixtrans-64.8-29.9176.9-77.2-161.6177.5-167.92.9113.8I331 E332 M336 R368 V369 G374I331-R372 PolarHBondContact O-NH1 3.04Å; E332-R372 IonicContact OE1-CZ 3.39Å; E332-R372 IonicContact OE1-NH1 2.62Å; E332-R372 IonicContact OE1-NH2 2.74Å; E332-R372 PolarHBondContact OE1-NH2 3.04Å; M336-R372 HydrophobicContact CE-CB 3.97Å; M336-R372 HydrophobicContact CE-CG 4.48Å; M336-R372 HydrophobicContact SD-CB 4.13Å; R368-R372 PolarHBondContact O-N 3.33Å; V369-R372 PolarHBondContact O-N 3.12Å; R372-G374 VanDerWaalsContact C-N 3.3Å
373V90.2Very high89.5Confident71 Ų7157.9 Ų57.943%0.4331%0.308SS..THydrogen-bonded Turntrans-84.4-4.6176.4-179.80000112.1M336 V369 F370 A371 K375M336-V373 HydrophobicContact CB-CG2 3.58Å; M336-V373 HydrophobicContact CG-CG2 3.79Å; V369-V373 HydrophobicContact CG1-CG2 4.46Å; V369-V373 WeakPolarHBondContact O-CG2 3.24Å; V369-V373 PolarHBondContact O-N 3.37Å; F370-V373 PolarHBondContact O-N 3.38Å; A371-V373 VanDerWaalsContact C-N 3.3Å; A371-V373 PolarHBondContact O-N 3Å; V373-K375 HydrophobicContact CG1-CD 4.39Å; V373-K375 HydrophobicContact CG1-CG 4.27Å
374G86.8Confident89.2Confident40 Ų4058.6 Ų58.641%0.41231%0.312SS..THydrogen-bonded Turntrans8013.4-178.600000114.4F370 A371 R372 F376F370-G374 PolarHBondContact O-N 3.11Å; F370-G374 VanDerWaalsContact O-N 3.14Å; A371-G374 PolarHBondContact O-N 3.35Å; A371-G374 VanDerWaalsContact O-N 3.09Å; R372-G374 VanDerWaalsContact C-N 3.3Å; G374-F376 VanDerWaalsContact C-N 3.34Å; G374-F376 PolarHBondContact O-N 3.24Å
375K90.4Very high89Confident107 Ų10756.7 Ų56.747%0.46530%0.301SS..  trans-91.863.8177.2-65.2-174-177.3175.60110.9F370 V373 Q377 Q378 A379F370-K375 HydrophobicContact CB-CB 4.36Å; F370-K375 HydrophobicContact CD1-CB 4.18Å; F370-K375 HydrophobicContact CD1-CD 4.25Å; F370-K375 PolarHBondContact O-N 2.94Å; V373-K375 HydrophobicContact CG1-CD 4.39Å; V373-K375 HydrophobicContact CG1-CG 4.27Å; K375-Q377 VanDerWaalsContact C-N 3.34Å; K375-Q377 PolarHBondContact O-N 3.49Å; K375-Q378 HydrophobicContact CB-CB 4.25Å; K375-Q378 HydrophobicContact CB-CG 4.44Å; K375-Q378 VanDerWaalsContact CD-OE1 3.29Å; K375-Q378 PolarHBondContact O-N 2.89Å; K375-A379 PolarHBondContact O-N 3.3Å; K375-A379 VanDerWaalsContact O-N 3.12Å
376F87.8Confident88.7Confident111 Ų11160.1 Ų60.149%0.48732%0.319SS..Hα-helixtrans-58.6-39.8-170.9-56.3-58.4000114.5Y200 G374 Q378 A379 I380Y200-F376 WeakPolarHBondContact OH-CE1 3.49Å; Y200-F376 WeakPolarHBondContact OH-CZ 3.32Å; G374-F376 VanDerWaalsContact C-N 3.34Å; G374-F376 PolarHBondContact O-N 3.24Å; F376-Q378 VanDerWaalsContact C-N 3.29Å; F376-Q378 PolarHBondContact O-N 3.42Å; F376-A379 WeakPolarHBondContact O-CB 3.41Å; F376-A379 PolarHBondContact O-N 3.39Å; F376-A379 VanDerWaalsContact O-N 3.11Å; F376-I380 WeakPolarHBondContact O-CG1 3.44Å; F376-I380 PolarHBondContact O-N 2.78Å; F376-I380 VanDerWaalsContact O-N 3.08Å
377Q87.5Confident88.3Confident120 Ų12063.3 Ų63.356%0.56134%0.337SS*.Hα-helixtrans-60.5-42177.5-17158.651.300111.4K375 A379 I380 D381K375-Q377 VanDerWaalsContact C-N 3.34Å; K375-Q377 PolarHBondContact O-N 3.49Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.47Å; Q377-I380 PolarHBondContact O-N 3.42Å; Q377-D381 PolarHBondContact NE2-OD1 2.76Å; Q377-D381 PolarHBondContact NE2-OD2 2.71Å; Q377-D381 VanDerWaalsContact NE2-OD2 3.16Å; Q377-D381 WeakPolarHBondContact O-CB 3.47Å; Q377-D381 PolarHBondContact O-N 2.8Å
378Q88.1Confident87.9Confident88 Ų8866.8 Ų66.841%0.41135%0.351SS..Hα-helixtrans-69.3-28.9177.7-63-176.9-3.400112.4F370 K375 F376 I380 T382F370-Q378 HydrophobicContact CB-CB 4.34Å; F370-Q378 HydrophobicContact CD1-CB 4.02Å; F370-Q378 HydrophobicContact CD2-CB 3.79Å; F370-Q378 WeakPolarHBondContact CD2-O 3.12Å; F370-Q378 HydrophobicContact CE1-CB 4.22Å; F370-Q378 HydrophobicContact CE2-CB 3.99Å; F370-Q378 HydrophobicContact CG-CB 3.81Å; F370-Q378 HydrophobicContact CZ-CB 4.2Å; K375-Q378 HydrophobicContact CB-CB 4.25Å; K375-Q378 HydrophobicContact CB-CG 4.44Å; K375-Q378 VanDerWaalsContact CD-OE1 3.29Å; K375-Q378 PolarHBondContact O-N 2.89Å; F376-Q378 VanDerWaalsContact C-N 3.29Å; F376-Q378 PolarHBondContact O-N 3.42Å; Q378-I380 VanDerWaalsContact C-N 3.33Å; Q378-T382 WeakPolarHBondContact O-CG2 3.38Å; Q378-T382 PolarHBondContact O-N 2.87Å; Q378-T382 PolarHBondContact O-OG1 3.09Å
379A87.3Confident87.7Confident25 Ų2569.1 Ų69.121%0.20737%0.367CS..Hα-helixtrans-73.1-24174.400000113.4G367 F370 A371 K375 F376 Q377 T382G367-A379 WeakPolarHBondContact O-CB 3.49Å; F370-A379 HydrophobicContact CB-CB 3.74Å; A371-A379 HydrophobicContact CB-CB 4.32Å; K375-A379 PolarHBondContact O-N 3.3Å; K375-A379 VanDerWaalsContact O-N 3.12Å; F376-A379 WeakPolarHBondContact O-CB 3.41Å; F376-A379 PolarHBondContact O-N 3.39Å; F376-A379 VanDerWaalsContact O-N 3.11Å; Q377-A379 VanDerWaalsContact C-N 3.3Å; Q377-A379 PolarHBondContact O-N 3.47Å; A379-T382 PolarHBondContact O-OG1 3.35Å
380I84.8Confident87.3Confident124 Ų12474.2 Ų74.264%0.63639%0.394SS*.Hα-helixtrans-83.5-34.9175-66166000110.4F376 Q377 Q378F376-I380 WeakPolarHBondContact O-CG1 3.44Å; F376-I380 PolarHBondContact O-N 2.78Å; F376-I380 VanDerWaalsContact O-N 3.08Å; Q377-I380 PolarHBondContact O-N 3.42Å; Q378-I380 VanDerWaalsContact C-N 3.33Å
381D85.5Confident86.8Confident111 Ų11178.8 Ų78.859%0.59442%0.42SS*.Hα-helixtrans-84.4-8.5-175.7-61.7-22.3000113.7Q377Q377-D381 PolarHBondContact NE2-OD1 2.76Å; Q377-D381 PolarHBondContact NE2-OD2 2.71Å; Q377-D381 VanDerWaalsContact NE2-OD2 3.16Å; Q377-D381 WeakPolarHBondContact O-CB 3.47Å; Q377-D381 PolarHBondContact O-N 2.8Å
382T78.6Confident86.7Confident69 Ų6983.6 Ų83.642%0.42344%0.439SS..  trans-69.20170.634.60000112.1I366 F370 Q378 A379I366-T382 HydrophobicContact CB-CG2 4.13Å; I366-T382 HydrophobicContact CG2-CG2 3.46Å; I366-T382 VanDerWaalsContact CG2-CG2 3.46Å; F370-T382 HydrophobicContact CD2-CG2 3.73Å; F370-T382 HydrophobicContact CE2-CG2 3.7Å; Q378-T382 WeakPolarHBondContact O-CG2 3.38Å; Q378-T382 PolarHBondContact O-N 2.87Å; Q378-T382 PolarHBondContact O-OG1 3.09Å; A379-T382 PolarHBondContact O-OG1 3.35Å

Retrieved 382 of 382 residues in 108.2 ms (Link to these results)

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