A0A3Q0KLH0_SCHMA Loading...

Transcription initiation factor TFIID subunit 2

AlphaFold DB (A0A5K4ELB8), UniProt , Accession A0A3Q0KLH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,191 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
1M27.8Very low26.4Very low244 Ų244164.4 Ų164.4100%1.20284%0.84SS**  0119.60-82.7179.1173.700107
2N29.4Very low26.3Very low161 Ų161162.4 Ų162.486%0.86185%0.846SS**  trans44.293.5172.6-66-0.9000119.2
3E26.9Very low26.2Very low189 Ų189154.5 Ų154.588%0.88383%0.829SS**  trans-142.5138.5133.3-79-160.5152.500110.2
4P32.7Very low26Very low113 Ų113150.9 Ų150.973%0.73482%0.821SS**  trans-99144.9-161.332.5-20.2000113.2N6P4-N6 PolarHBondContact O-N 2.87Å
5W22.1Very low26.4Very low243 Ų243146.5 Ų146.592%0.9280%0.803SS**  trans-72.2105172.2-70.258.3000109.8
6N25.5Very low26.7Very low148 Ų148146.3 Ų146.379%0.79181%0.808SS**  trans-95.4108.9164.3-97.2-20.7000109.7P4 F8P4-N6 PolarHBondContact O-N 2.87Å; N6-F8 PolarHBondContact O-N 3.13Å
7L25.6Very low27.3Very low153 Ų153143.2 Ų143.280%0.80179%0.786SS**  trans-62.6113.7167.6-78.7115.6000110.1N9L7-N9 VanDerWaalsContact C-N 3.25Å; L7-N9 PolarHBondContact O-N 2.61Å
8F25.3Very low28.2Very low192 Ų192141 Ų14184%0.84278%0.78SS**  trans-73.188.1154.4-81-80.5000108.6N6 T10N6-F8 PolarHBondContact O-N 3.13Å; F8-T10 VanDerWaalsContact C-N 3.28Å; F8-T10 PolarHBondContact O-N 3.19Å
9N23.1Very low29.4Very low154 Ų154141.7 Ų141.782%0.82478%0.781SS**  trans-85.176.2164.4-142.212.5000107.4L7L7-N9 VanDerWaalsContact C-N 3.25Å; L7-N9 PolarHBondContact O-N 2.61Å
10T26.7Very low31Very low111 Ų111136.4 Ų136.468%0.68175%0.754SS**  trans-88.4119.5165.649.20000108F8F8-T10 VanDerWaalsContact C-N 3.28Å; F8-T10 PolarHBondContact O-N 3.19Å
11S25.6Very low33.3Very low100 Ų100135.5 Ų135.570%0.69974%0.742SS**  trans-39.3154.7167.329.70000113.2G13S11-G13 PolarHBondContact O-N 3.32Å
12P25.4Very low36.1Very low141 Ų141124.6 Ų124.692%0.91669%0.688SS**  trans-71.974.3171.832-31.7000108.6
13G24.5Very low39Very low60 Ų60120.1 Ų120.162%0.61966%0.662SS**  trans-72.7136.4169.600000109.3S11S11-G13 PolarHBondContact O-N 3.32Å
14S24.1Very low42.1Very low103 Ų103111.3 Ų111.372%0.7262%0.62SS**  trans-25.2138.6172.851.10000114.9T16S14-T16 PolarHBondContact O-N 2.54Å; S14-T16 VanDerWaalsContact O-N 3.09Å
15P32.1Very low44.9Very low86 Ų86107.5 Ų107.556%0.55859%0.591SS**  trans-60.7121.3175.327.8-31.2000108.1Q17P15-Q17 PolarHBondContact O-N 3.38Å
16T30.1Very low48.3Very low142 Ų14296.2 Ų96.287%0.87155%0.549SS*.  trans-63.884.715439.60000106.1S14S14-T16 PolarHBondContact O-N 2.54Å; S14-T16 VanDerWaalsContact O-N 3.09Å
17Q36.9Very low51.5Low94 Ų9489.6 Ų89.644%0.43952%0.515SS..  trans-56136.7163.6-78.7-172.7-24.600106.7P15 I19P15-Q17 PolarHBondContact O-N 3.38Å; Q17-I19 PolarHBondContact O-N 3.36Å
18P44.5Very low54.7Low104 Ų10483 Ų8368%0.67548%0.48SS*.  trans-57.7109.9167.724.8-29.3000106.5S20P18-S20 PolarHBondContact O-N 2.86Å; P18-S20 VanDerWaalsContact O-N 3.09Å
19I49.7Very low58.1Low155 Ų15573.9 Ų73.980%0.79544%0.44SS*.  trans-64.7115.2178.7-63.5167.4000105Q17 K21Q17-I19 PolarHBondContact O-N 3.36Å; I19-K21 PolarHBondContact O-N 3.4Å
20S62.8Low61.6Low35 Ų3567.2 Ų67.225%0.24541%0.405CS..  trans-43.1118.7168.6164.10000108.5P18 R22P18-S20 PolarHBondContact O-N 2.86Å; P18-S20 VanDerWaalsContact O-N 3.09Å; S20-R22 PolarHBondContact O-N 3.45Å
21K77.8Confident65Low117 Ų11762 Ų6251%0.50937%0.373SS..SBendtrans-59.1-29.4-179.2-72.6175175170.10111.5I19 Q23 E149I19-K21 PolarHBondContact O-N 3.4Å; K21-Q23 PolarHBondContact O-N 3.13Å; K21-E149 IonicContact NZ-OE1 2.89Å; K21-E149 PolarHBondContact NZ-OE1 3.27Å; K21-E149 IonicContact NZ-OE2 3.99Å; K21-E149 PolarHBondContact NZ-OE2 3.08Å
22R87.8Confident68.5Low15 Ų1557.7 Ų57.76%0.05734%0.342CS..  trans-61.3127.7176-61.3-170.5-70.5-99.84.1111.9S20 Y24 P147 D148 D150 C223 E225S20-R22 PolarHBondContact O-N 3.45Å; R22-Y24 HydrophobicContact CB-CD1 4.43Å; R22-Y24 HydrophobicContact CB-CE1 4.15Å; R22-Y24 HydrophobicContact CG-CE1 4.44Å; R22-Y24 PolarHBondContact O-N 3.33Å; R22-P147 WeakPolarHBondContact CD-O 3.41Å; R22-P147 VanDerWaalsContact NH1-C 3.28Å; R22-P147 PolarHBondContact NH1-O 2.93Å; R22-D148 IonicContact CZ-OD1 3.27Å; R22-D148 IonicContact NH1-OD1 3.69Å; R22-D148 PolarHBondContact NH1-OD1 3.01Å; R22-D148 IonicContact NH2-OD1 3.02Å; R22-D150 HydrophobicContact CG-CB 4.09Å; R22-C223 PolarHBondContact NH1-SG 2.93Å; R22-C223 PolarHBondContact NH2-SG 2.84Å; R22-E225 IonicContact CZ-OE2 3.9Å; R22-E225 IonicContact NE-OE2 3.36Å; R22-E225 IonicContact NH2-OE2 2.81Å; R22-E225 PolarHBondContact NH2-OE2 2.64Å
23Q90Very high72Confident68 Ų6851 Ų5132%0.31830%0.299SS..SBendtrans-84.612180-70.8-175.15.400114.3K21 I54 T55 T57 L58K21-Q23 PolarHBondContact O-N 3.13Å; Q23-I54 WeakPolarHBondContact O-CB 3.34Å; Q23-I54 PolarHBondContact O-N 3.09Å; Q23-T55 HydrophobicContact CB-CG2 4.14Å; Q23-T55 WeakPolarHBondContact CB-OG1 3.21Å; Q23-T55 HydrophobicContact CG-CG2 3.99Å; Q23-T55 PolarHBondContact O-N 3.38Å; Q23-T55 PolarHBondContact OE1-OG1 3.17Å; Q23-T55 VanDerWaalsContact OE1-OG1 3.06Å; Q23-T57 PolarHBondContact OE1-OG1 2.96Å; Q23-L58 HydrophobicContact CB-CD1 3.85Å
24Y92.5Very high75.4Confident4 Ų450.9 Ų50.92%0.01629%0.287CS..EExtended strand (participates in β ladder)trans-148.6166.1-174.661.4-84.5000110.8R22 I51 W52 L58 I61 H62 D150 I221R22-Y24 HydrophobicContact CB-CD1 4.43Å; R22-Y24 HydrophobicContact CB-CE1 4.15Å; R22-Y24 HydrophobicContact CG-CE1 4.44Å; R22-Y24 PolarHBondContact O-N 3.33Å; Y24-I51 HydrophobicContact CD2-CD1 4.06Å; Y24-I51 HydrophobicContact CD2-CG2 3.83Å; Y24-I51 HydrophobicContact CE2-CD1 4.32Å; Y24-I51 HydrophobicContact CG-CG2 4.07Å; Y24-W52 CarbonylContact C-O 3.49Å; Y24-W52 VanDerWaalsContact CA-O 3.24Å; Y24-W52 WeakPolarHBondContact CA-O 3.08Å; Y24-L58 HydrophobicContact CD1-CD1 3.76Å; Y24-I61 HydrophobicContact CD1-CG1 4.22Å; Y24-I61 HydrophobicContact CE1-CG1 4.23Å; Y24-I61 HydrophobicContact CE1-CG2 4.35Å; Y24-I61 HydrophobicContact CE2-CG2 4.12Å; Y24-H62 PolarHBondContact OH-O 3.31Å; Y24-D150 WeakPolarHBondContact CE1-OD1 3.44Å; Y24-I221 HydrophobicContact CD2-CD1 4.48Å; Y24-I221 HydrophobicContact CE2-CD1 3.58Å
25R91.4Very high78.7Confident32 Ų3249.1 Ų49.112%0.12127%0.267CS..EExtended strand (participates in β ladder)trans-126.2149.6172.6-59.4-164.1-176.7155.815.8111.4I51 W52 I54 C551 M552 D554R25-I51 WeakPolarHBondContact O-CA 3.33Å; R25-W52 HydrophobicContact CB-CB 4.49Å; R25-W52 PolarHBondContact N-O 3.28Å; R25-W52 PolarHBondContact O-N 3.07Å; R25-I54 HydrophobicContact CG-CD1 3.6Å; R25-I54 HydrophobicContact CG-CG1 3.89Å; R25-C551 VanDerWaalsContact CB-SG 3.59Å; R25-C551 WeakPolarHBondContact CD-SG 3.42Å; R25-M552 PolarHBondContact NH1-O 2.7Å; R25-D554 IonicContact CZ-OD1 3.68Å; R25-D554 IonicContact CZ-OD2 2.69Å; R25-D554 IonicContact NE-OD1 2.68Å; R25-D554 IonicContact NH1-OD1 3.1Å; R25-D554 PolarHBondContact NH1-OD1 3.35Å; R25-D554 IonicContact NH1-OD2 2.67Å; R25-D554 IonicContact NH2-OD1 3.73Å; R25-D554 PolarHBondContact NH2-OD1 3.06Å; R25-D554 IonicContact NH2-OD2 3.58Å; R25-D554 PolarHBondContact NH2-OD2 2.94Å
26L93.2Very high81.7Confident7 Ų745.3 Ų45.34%0.03724%0.241CC..EExtended strand (participates in β ladder)trans-96.9116.7170.7-178.464.9000108.6H28 Q29 L49 I51 I221 E225 C227L26-H28 WeakPolarHBondContact CD1-O 3.4Å; L26-Q29 HydrophobicContact CD2-CB 4.49Å; L26-L49 HydrophobicContact CD1-CB 3.79Å; L26-L49 HydrophobicContact CD1-CD2 4.08Å; L26-L49 HydrophobicContact CD1-CG 4.14Å; L26-I51 HydrophobicContact CB-CD1 4.45Å; L26-I51 HydrophobicContact CD1-CD1 3.8Å; L26-I221 HydrophobicContact CB-CD1 4.01Å; L26-I221 HydrophobicContact CD2-CD1 4.18Å; L26-I221 HydrophobicContact CD2-CG1 4.48Å; L26-E225 HydrophobicContact CB-CG 4.2Å; L26-C227 HydrophobicContact CD2-CB 4.23Å; L26-C227 HydrophobicContact CG-CB 3.99Å; L26-C227 WeakPolarHBondContact O-CB 3.43Å
27A91.9Very high84.8Confident9 Ų940.4 Ų40.47%0.07421%0.21CC..EExtended strand (participates in β ladder)trans-91.6-38.6178.900000112.4V50 W52 T228A27-V50 PolarHBondContact N-O 3.36Å; A27-W52 VanDerWaalsContact CB-CD1 3.48Å; A27-T228 PolarHBondContact O-N 3.36Å; A27-T228 PolarHBondContact O-OG1 3.45Å
28H94.5Very high87.4Confident15 Ų1536 Ų367%0.06919%0.19CC..EExtended strand (participates in β ladder)trans-149.1145.2-176.1-172.878000110.4L26 T30 V50 T228 K230 Y265 P549L26-H28 WeakPolarHBondContact CD1-O 3.4Å; H28-T30 PolarHBondContact NE2-OG1 2.7Å; H28-V50 HydrophobicContact CB-CB 4.1Å; H28-V50 HydrophobicContact CB-CG2 3.99Å; H28-V50 PolarHBondContact O-N 2.75Å; H28-T228 WeakPolarHBondContact CA-O 3.34Å; H28-T228 PolarHBondContact ND1-O 3.1Å; H28-T228 PolarHBondContact ND1-OG1 3.34Å; H28-K230 PolarHBondContact CE1-N 3.13Å; H28-Y265 AromaticContact CE1-CE2 3.91Å; H28-P549 HydrophobicContact CB-CB 4.4Å; H28-P549 HydrophobicContact CB-CG 3.86Å
29Q96.2Very high89.5Confident0 Ų036.1 Ų36.10%018%0.181CC..EExtended strand (participates in β ladder)trans-130.1126.5170.6-172.8164.3-4.800110.5L26 T47 Q48 L49 P219 T228 W229 K230L26-Q29 HydrophobicContact CD2-CB 4.49Å; Q29-T47 PolarHBondContact NE2-OG1 3.04Å; Q29-Q48 CarbonylContact C-O 3.42Å; Q29-Q48 VanDerWaalsContact CA-O 3.31Å; Q29-Q48 WeakPolarHBondContact CA-O 3.28Å; Q29-L49 HydrophobicContact CG-CG 4.29Å; Q29-P219 PolarHBondContact NE2-O 3.14Å; Q29-P219 VanDerWaalsContact NE2-O 3.15Å; Q29-T228 PolarHBondContact N-O 2.82Å; Q29-W229 HydrophobicContact CB-CD2 4.2Å; Q29-W229 HydrophobicContact CB-CE3 3.84Å; Q29-W229 HydrophobicContact CB-CH2 3.95Å; Q29-W229 HydrophobicContact CB-CZ2 4.26Å; Q29-W229 HydrophobicContact CB-CZ3 3.73Å; Q29-W229 VanDerWaalsContact CD-CZ3 3.4Å; Q29-W229 HydrophobicContact CG-CE3 4.02Å; Q29-W229 HydrophobicContact CG-CH2 3.88Å; Q29-W229 HydrophobicContact CG-CZ3 3.51Å; Q29-W229 WeakPolarHBondContact O-CA 3.17Å; Q29-K230 PolarHBondContact O-N 2.78Å; Q29-K230 VanDerWaalsContact O-N 3.09Å
30T97.3Very high91.5Very high14 Ų1433.9 Ų33.99%0.08617%0.167CC..EExtended strand (participates in β ladder)trans-99.6125.1169.1-61.10000108.9H28 T47 Q48 K230H28-T30 PolarHBondContact NE2-OG1 2.7Å; T30-T47 CarbonylContact O-C 3.51Å; T30-T47 WeakPolarHBondContact O-CA 3.45Å; T30-T47 PolarHBondContact O-OG1 3.37Å; T30-Q48 PolarHBondContact N-O 3Å; T30-Q48 PolarHBondContact O-N 3.16Å; T30-K230 CarbonylContact C-O 3.46Å; T30-K230 VanDerWaalsContact CA-O 3.24Å; T30-K230 WeakPolarHBondContact CA-O 3.42Å; T30-K230 HydrophobicContact CG2-CB 4.18Å; T30-K230 HydrophobicContact CG2-CD 4.15Å; T30-K230 HydrophobicContact CG2-CG 4.32Å
31L97.9Very high92.9Very high1 Ų133.5 Ų33.51%0.00516%0.16CC..EExtended strand (participates in β ladder)trans-112.3115.2173.2176.262.3000108.5I33 F178 W217 F218 K230 I231 E232L31-I33 HydrophobicContact CD1-CD1 3.97Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 4.47Å; L31-F178 HydrophobicContact CD1-CE1 4.25Å; L31-F178 HydrophobicContact CD1-CZ 4.06Å; L31-W217 HydrophobicContact CD2-CH2 4.12Å; L31-F218 HydrophobicContact CD1-CB 3.94Å; L31-F218 HydrophobicContact CD1-CD2 3.99Å; L31-F218 HydrophobicContact CD1-CG 4.04Å; L31-F218 HydrophobicContact CD2-CD1 4.32Å; L31-F218 HydrophobicContact CD2-CD2 4.35Å; L31-F218 HydrophobicContact CD2-CE1 4.48Å; L31-F218 HydrophobicContact CD2-CE2 4.49Å; L31-F218 HydrophobicContact CD2-CG 4.26Å; L31-K230 PolarHBondContact N-O 2.79Å; L31-I231 CarbonylContact O-C 3.57Å; L31-I231 WeakPolarHBondContact O-CA 3.38Å; L31-E232 PolarHBondContact O-N 3.48Å
32C98Very high93.8Very high9 Ų929.9 Ų29.96%0.06115%0.146CC..EExtended strand (participates in β ladder)trans-116.3110.1178.5-1720000109.7G45 F46 E232C32-G45 CarbonylContact O-C 3.6Å; C32-G45 WeakPolarHBondContact O-CA 3.45Å; C32-F46 HydrophobicContact CB-CD1 3.95Å; C32-F46 HydrophobicContact CB-CD2 4.27Å; C32-F46 HydrophobicContact CB-CE1 3.48Å; C32-F46 VanDerWaalsContact CB-CE1 3.48Å; C32-F46 HydrophobicContact CB-CE2 3.83Å; C32-F46 HydrophobicContact CB-CG 4.32Å; C32-F46 HydrophobicContact CB-CZ 3.41Å; C32-F46 VanDerWaalsContact CB-CZ 3.41Å; C32-F46 PolarHBondContact N-O 2.9Å; C32-F46 PolarHBondContact O-N 2.92Å; C32-F46 VanDerWaalsContact SG-CE1 3.59Å; C32-E232 CarbonylContact C-O 3.58Å; C32-E232 WeakPolarHBondContact CA-O 3.44Å; C32-E232 HydrophobicContact CB-CB 4.24Å; C32-E232 PolarHBondContact SG-OE2 3.06Å; C32-E232 VanDerWaalsContact SG-OE2 3.41Å
33I98.1Very high94.2Very high1 Ų129.2 Ų29.21%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-93.8107.4172-55.5-56000107.6L31 I36 V43 F178 E232 V233 T234 L277L31-I33 HydrophobicContact CD1-CD1 3.97Å; L31-I33 HydrophobicContact CG-CD1 4.29Å; L31-I33 HydrophobicContact CG-CG1 4.47Å; I33-I36 HydrophobicContact CG2-CD1 3.88Å; I33-I36 HydrophobicContact CG2-CG1 3.6Å; I33-V43 HydrophobicContact CD1-CG1 3.95Å; I33-V43 HydrophobicContact CG2-CG1 3.63Å; I33-F178 HydrophobicContact CD1-CZ 4.06Å; I33-E232 PolarHBondContact N-O 2.97Å; I33-V233 HydrophobicContact CB-CG1 4.22Å; I33-V233 HydrophobicContact CG2-CG1 4.47Å; I33-T234 PolarHBondContact O-N 3.4Å; I33-L277 HydrophobicContact CG1-CD2 4.44Å
34T96.1Very high94.6Very high58 Ų5828 Ų2836%0.35614%0.141SC..EExtended strand (participates in β ladder)trans-88.6-25.9-172.656.90000112.8V44 F46 T234T34-V44 PolarHBondContact N-O 3.38Å; T34-V44 PolarHBondContact OG1-O 2.94Å; T34-F46 HydrophobicContact CG2-CD1 4.25Å; T34-F46 HydrophobicContact CG2-CE1 4.15Å; T34-T234 WeakPolarHBondContact O-CB 3.26Å
35H94.2Very high94.8Very high65 Ų6528 Ų2830%0.30114%0.142SC..EExtended strand (participates in β ladder)trans-153.4136.2-179-169-93.2000111.5V44H35-V44 HydrophobicContact CB-CB 4.33Å; H35-V44 PolarHBondContact N-O 2.85Å; H35-V44 PolarHBondContact O-N 2.87Å
36I96Very high95.2Very high6 Ų629.1 Ų29.13%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-126.9113.5172.2-58.2179.4000108I33 F38 L42 V43 F189 V233 V235 V279I33-I36 HydrophobicContact CG2-CD1 3.88Å; I33-I36 HydrophobicContact CG2-CG1 3.6Å; I36-F38 HydrophobicContact CG2-CD2 4.18Å; I36-F38 HydrophobicContact CG2-CE2 3.86Å; I36-F38 HydrophobicContact CG2-CZ 4.33Å; I36-L42 WeakPolarHBondContact CA-O 3.35Å; I36-V43 HydrophobicContact CG1-CG1 4.43Å; I36-F189 HydrophobicContact CG2-CE1 3.85Å; I36-F189 HydrophobicContact CG2-CZ 4.34Å; I36-V233 HydrophobicContact CD1-CG1 4.24Å; I36-V235 HydrophobicContact CD1-CG1 4.28Å; I36-V279 HydrophobicContact CD1-CB 4.25Å; I36-V279 HydrophobicContact CD1-CG1 4.23Å; I36-V279 HydrophobicContact CD1-CG2 3.79Å
37D93.7Very high95.4Very high40 Ų4028.8 Ų28.821%0.21415%0.146CC..EExtended strand (participates in β ladder)trans-101.5111.1175.4-171.1-29.7000109.2E39 Q40 R41 L42D37-E39 PolarHBondContact OD1-N 2.91Å; D37-Q40 HydrophobicContact CB-CB 4.24Å; D37-Q40 PolarHBondContact OD1-N 3.48Å; D37-Q40 VanDerWaalsContact OD2-CG 3.26Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.47Å; D37-R41 CarbonylContact O-C 3.49Å; D37-R41 WeakPolarHBondContact O-CA 3.37Å; D37-R41 PolarHBondContact O-N 2.98Å; D37-L42 HydrophobicContact CB-CB 4.11Å; D37-L42 PolarHBondContact N-O 3.32Å; D37-L42 PolarHBondContact O-N 2.68Å
38F92.5Very high95.7Very high2 Ų231.2 Ų31.21%0.00916%0.156CC..THydrogen-bonded Turntrans-72.6-32.5178.3-80.7-89.5000113I36 R41 F189 V191 L198 V203 A205 L239 V279I36-F38 HydrophobicContact CG2-CD2 4.18Å; I36-F38 HydrophobicContact CG2-CE2 3.86Å; I36-F38 HydrophobicContact CG2-CZ 4.33Å; F38-R41 WeakPolarHBondContact O-CG 3.26Å; F38-F189 AromaticContact CD1-CD1 3.83Å; F38-F189 HydrophobicContact CD1-CD1 3.83Å; F38-F189 HydrophobicContact CD1-CE1 4.35Å; F38-F189 HydrophobicContact CE1-CD1 4.11Å; F38-F189 HydrophobicContact CG-CD1 4.45Å; F38-V191 HydrophobicContact CB-CG2 4.28Å; F38-V191 HydrophobicContact CD1-CG2 4.01Å; F38-L198 HydrophobicContact CB-CD2 4.25Å; F38-V203 HydrophobicContact CD1-CB 3.87Å; F38-V203 HydrophobicContact CD1-CG2 3.89Å; F38-V203 HydrophobicContact CD2-CG2 4.23Å; F38-V203 HydrophobicContact CE1-CB 4.15Å; F38-V203 HydrophobicContact CE1-CG2 4.03Å; F38-V203 HydrophobicContact CE2-CG2 4.38Å; F38-V203 HydrophobicContact CG-CB 4.34Å; F38-V203 HydrophobicContact CG-CG2 3.99Å; F38-V203 HydrophobicContact CZ-CG2 4.28Å; F38-A205 HydrophobicContact CE1-CB 3.72Å; F38-A205 HydrophobicContact CZ-CB 4.02Å; F38-L239 HydrophobicContact CD2-CD1 4.04Å; F38-L239 HydrophobicContact CE2-CD1 3.49Å; F38-L239 VanDerWaalsContact CE2-CD1 3.49Å; F38-L239 HydrophobicContact CZ-CD1 4.28Å; F38-V279 HydrophobicContact CE2-CG1 4.26Å; F38-V279 HydrophobicContact CZ-CG1 4.12Å
39E89.2Confident95.8Very high105 Ų10530.5 Ų30.549%0.49115%0.153SC..THydrogen-bonded Turntrans-73.3-45.4-178.3-67.3-62.6162.300110.8D37 R41 R201D37-E39 PolarHBondContact OD1-N 2.91Å; E39-R41 VanDerWaalsContact C-N 3.34Å; E39-R201 IonicContact OE1-CZ 3.27Å; E39-R201 IonicContact OE1-NH1 2.7Å; E39-R201 PolarHBondContact OE1-NH1 3.47Å; E39-R201 IonicContact OE1-NH2 3.84Å
40Q90.8Very high95.7Very high108 Ų10831 Ų3151%0.50516%0.156SC..THydrogen-bonded Turntrans-83.3-13175.4-61.2-59.9-31.700113.3D37 L42D37-Q40 HydrophobicContact CB-CB 4.24Å; D37-Q40 PolarHBondContact OD1-N 3.48Å; D37-Q40 VanDerWaalsContact OD2-CG 3.26Å; D37-Q40 WeakPolarHBondContact OD2-CG 3.47Å; Q40-L42 HydrophobicContact CB-CB 4.23Å
41R92.6Very high95.6Very high27 Ų2730.4 Ų30.410%0.10215%0.152CC..THydrogen-bonded Turntrans56.451.6-175.1-55.9167.6179-135.54.9111D37 F38 E39 K182 F189 A990 S991D37-R41 CarbonylContact O-C 3.49Å; D37-R41 WeakPolarHBondContact O-CA 3.37Å; D37-R41 PolarHBondContact O-N 2.98Å; F38-R41 WeakPolarHBondContact O-CG 3.26Å; E39-R41 VanDerWaalsContact C-N 3.34Å; R41-K182 HydrophobicContact CB-CG 4.25Å; R41-K182 PolarHBondContact O-N 2.88Å; R41-F189 HydrophobicContact CB-CB 4.47Å; R41-F189 HydrophobicContact CB-CD1 4.39Å; R41-F189 HydrophobicContact CB-CD2 3.75Å; R41-F189 HydrophobicContact CB-CE2 3.96Å; R41-F189 HydrophobicContact CB-CG 3.97Å; R41-F189 HydrophobicContact CB-CZ 4.36Å; R41-F189 HydrophobicContact CG-CB 4.07Å; R41-F189 HydrophobicContact CG-CD1 4.41Å; R41-F189 HydrophobicContact CG-CD2 4.28Å; R41-F189 HydrophobicContact CG-CG 4.02Å; R41-A990 PolarHBondContact NH1-O 2.94Å; R41-A990 PolarHBondContact NH2-O 3.23Å; R41-A990 VanDerWaalsContact NH2-O 3.11Å; R41-S991 PolarHBondContact NH2-O 3.02Å
42L95.4Very high95.4Very high42 Ų4233.1 Ų33.122%0.2216%0.163CC..EExtended strand (participates in β ladder)trans-118.6132.5-173.9175.972.5000109.4I36 D37 Q40 V44 L180 N181I36-L42 WeakPolarHBondContact CA-O 3.35Å; D37-L42 HydrophobicContact CB-CB 4.11Å; D37-L42 PolarHBondContact N-O 3.32Å; D37-L42 PolarHBondContact O-N 2.68Å; Q40-L42 HydrophobicContact CB-CB 4.23Å; L42-V44 HydrophobicContact CD1-CG2 4.28Å; L42-V44 HydrophobicContact CD2-CG2 3.91Å; L42-V44 HydrophobicContact CG-CG2 3.88Å; L42-L180 CarbonylContact C-O 3.51Å; L42-L180 WeakPolarHBondContact CA-O 3.37Å; L42-N181 HydrophobicContact CD1-CB 3.92Å
43V96.9Very high95.1Very high1 Ų133 Ų331%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-114.2131.8167.6-175.30000107.9I33 I36 S179 L180 F187 F189I33-V43 HydrophobicContact CD1-CG1 3.95Å; I33-V43 HydrophobicContact CG2-CG1 3.63Å; I36-V43 HydrophobicContact CG1-CG1 4.43Å; V43-S179 CarbonylContact O-C 3.53Å; V43-S179 WeakPolarHBondContact O-CA 3.49Å; V43-L180 HydrophobicContact CB-CB 4.23Å; V43-L180 PolarHBondContact N-O 2.89Å; V43-L180 PolarHBondContact O-N 3.07Å; V43-F187 HydrophobicContact CG2-CD1 4.08Å; V43-F187 HydrophobicContact CG2-CE1 3.72Å; V43-F187 HydrophobicContact CG2-CZ 4.07Å; V43-F189 HydrophobicContact CG2-CE2 4.22Å; V43-F189 HydrophobicContact CG2-CZ 3.67Å
44V98Very high94.8Very high42 Ų4235.6 Ų35.626%0.25518%0.175SC..EExtended strand (participates in β ladder)trans-123.5139.7174.5-174.10000108.6T34 H35 L42T34-V44 PolarHBondContact N-O 3.38Å; T34-V44 PolarHBondContact OG1-O 2.94Å; H35-V44 HydrophobicContact CB-CB 4.33Å; H35-V44 PolarHBondContact N-O 2.85Å; H35-V44 PolarHBondContact O-N 2.87Å; L42-V44 HydrophobicContact CD1-CG2 4.28Å; L42-V44 HydrophobicContact CD2-CG2 3.91Å; L42-V44 HydrophobicContact CG-CG2 3.88Å
45G97.7Very high94.5Very high4 Ų434.7 Ų34.74%0.04117%0.169CC..EExtended strand (participates in β ladder)trans-175-173.3178.700000112.8C32 F178C32-G45 CarbonylContact O-C 3.6Å; C32-G45 WeakPolarHBondContact O-CA 3.45Å; G45-F178 PolarHBondContact N-O 2.97Å; G45-F178 VanDerWaalsContact N-O 3.08Å; G45-F178 PolarHBondContact O-N 3.22Å
46F98.2Very high94.3Very high56 Ų5634.4 Ų34.425%0.24617%0.174CC..EExtended strand (participates in β ladder)trans-138.9158.7170.566.8-89.4000110.5C32 T34 Q48 T175 I176 E177C32-F46 HydrophobicContact CB-CD1 3.95Å; C32-F46 HydrophobicContact CB-CD2 4.27Å; C32-F46 HydrophobicContact CB-CE1 3.48Å; C32-F46 VanDerWaalsContact CB-CE1 3.48Å; C32-F46 HydrophobicContact CB-CE2 3.83Å; C32-F46 HydrophobicContact CB-CG 4.32Å; C32-F46 HydrophobicContact CB-CZ 3.41Å; C32-F46 VanDerWaalsContact CB-CZ 3.41Å; C32-F46 PolarHBondContact N-O 2.9Å; C32-F46 PolarHBondContact O-N 2.92Å; C32-F46 VanDerWaalsContact SG-CE1 3.59Å; T34-F46 HydrophobicContact CG2-CD1 4.25Å; T34-F46 HydrophobicContact CG2-CE1 4.15Å; F46-Q48 HydrophobicContact CD2-CG 3.91Å; F46-Q48 HydrophobicContact CE2-CG 3.91Å; F46-T175 HydrophobicContact CD2-CG2 4.16Å; F46-I176 CarbonylContact C-O 3.6Å; F46-I176 WeakPolarHBondContact CA-O 3.23Å; F46-I176 WeakPolarHBondContact CB-O 3.37Å; F46-E177 HydrophobicContact CB-CG 4.02Å
47T98Very high94.1Very high0 Ų038.1 Ų38.10%020%0.198CC..EExtended strand (participates in β ladder)trans-126.2141.5172.4-178.30000109.8Q29 T30 L49 T175 I176 F178 P219Q29-T47 PolarHBondContact NE2-OG1 3.04Å; T30-T47 CarbonylContact O-C 3.51Å; T30-T47 WeakPolarHBondContact O-CA 3.45Å; T30-T47 PolarHBondContact O-OG1 3.37Å; T47-L49 HydrophobicContact CG2-CD1 3.85Å; T47-T175 CarbonylContact O-C 3.42Å; T47-T175 WeakPolarHBondContact O-CA 3.46Å; T47-I176 HydrophobicContact CG2-CB 3.93Å; T47-I176 PolarHBondContact N-O 3.03Å; T47-I176 PolarHBondContact O-N 3.35Å; T47-F178 HydrophobicContact CG2-CE1 4.48Å; T47-P219 HydrophobicContact CG2-CB 3.98Å; T47-P219 HydrophobicContact CG2-CG 4.08Å; T47-P219 WeakPolarHBondContact CG2-O 3.25Å
48Q97.6Very high94.1Very high59 Ų5936.2 Ų36.228%0.27619%0.188SC..EExtended strand (participates in β ladder)trans-116.5124.8174.1-56.1-173.7-43.100109.3Q29 T30 F46 I173 I174 T175Q29-Q48 CarbonylContact C-O 3.42Å; Q29-Q48 VanDerWaalsContact CA-O 3.31Å; Q29-Q48 WeakPolarHBondContact CA-O 3.28Å; T30-Q48 PolarHBondContact N-O 3Å; T30-Q48 PolarHBondContact O-N 3.16Å; F46-Q48 HydrophobicContact CD2-CG 3.91Å; F46-Q48 HydrophobicContact CE2-CG 3.91Å; Q48-I173 HydrophobicContact CB-CG2 4.09Å; Q48-I174 CarbonylContact C-O 3.46Å; Q48-I174 WeakPolarHBondContact CA-O 3.41Å; Q48-T175 HydrophobicContact CG-CG2 4.06Å; Q48-T175 PolarHBondContact NE2-OG1 3.32Å
49L96.6Very high94.2Very high1 Ų140.5 Ų40.51%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-110.9120.4179.6-67.687000109.1L26 Q29 T47 I51 I173 I174 I221L26-L49 HydrophobicContact CD1-CB 3.79Å; L26-L49 HydrophobicContact CD1-CD2 4.08Å; L26-L49 HydrophobicContact CD1-CG 4.14Å; Q29-L49 HydrophobicContact CG-CG 4.29Å; T47-L49 HydrophobicContact CG2-CD1 3.85Å; L49-I51 HydrophobicContact CB-CD1 4.15Å; L49-I51 HydrophobicContact CB-CG1 4.28Å; L49-I173 WeakPolarHBondContact O-CA 3.33Å; L49-I174 PolarHBondContact N-O 3.49Å; L49-I174 PolarHBondContact O-N 3.15Å; L49-I221 HydrophobicContact CD2-CG1 4.31Å
50V95.8Very high94.4Very high11 Ų1142.2 Ų42.27%0.06721%0.205CC..EExtended strand (participates in β ladder)trans-90.4105.7175.4-177.70000109A27 H28 I173 V548A27-V50 PolarHBondContact N-O 3.36Å; H28-V50 HydrophobicContact CB-CB 4.1Å; H28-V50 HydrophobicContact CB-CG2 3.99Å; H28-V50 PolarHBondContact O-N 2.75Å; V50-I173 HydrophobicContact CG2-CG1 4.41Å; V50-V548 HydrophobicContact CG1-CG1 3.69Å
51I94.3Very high94.7Very high1 Ų137.1 Ų37.11%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-105.1131-171.4-58.6-64.4000110.9Y24 R25 L26 L49 I61 P171 F172 I174Y24-I51 HydrophobicContact CD2-CD1 4.06Å; Y24-I51 HydrophobicContact CD2-CG2 3.83Å; Y24-I51 HydrophobicContact CE2-CD1 4.32Å; Y24-I51 HydrophobicContact CG-CG2 4.07Å; R25-I51 WeakPolarHBondContact O-CA 3.33Å; L26-I51 HydrophobicContact CB-CD1 4.45Å; L26-I51 HydrophobicContact CD1-CD1 3.8Å; L49-I51 HydrophobicContact CB-CD1 4.15Å; L49-I51 HydrophobicContact CB-CG1 4.28Å; I51-I61 HydrophobicContact CG1-CD1 4.48Å; I51-I61 HydrophobicContact CG2-CD1 3.97Å; I51-P171 VanDerWaalsContact O-CA 3.23Å; I51-P171 WeakPolarHBondContact O-CA 3.46Å; I51-F172 HydrophobicContact CB-CD2 4.14Å; I51-F172 HydrophobicContact CB-CE2 3.71Å; I51-F172 HydrophobicContact CB-CZ 3.93Å; I51-F172 HydrophobicContact CG1-CE2 4.26Å; I51-F172 HydrophobicContact CG2-CE1 4.21Å; I51-F172 HydrophobicContact CG2-CE2 3.87Å; I51-F172 HydrophobicContact CG2-CZ 3.6Å; I51-F172 PolarHBondContact N-O 3.37Å; I51-F172 PolarHBondContact O-N 2.88Å; I51-I174 HydrophobicContact CG1-CD1 4.23Å
52W92.8Very high94.8Very high58 Ų5837.3 Ų37.322%0.2218%0.184CC..EExtended strand (participates in β ladder)trans-107.2112.4172.6-76.282.6000110.7Y24 R25 A27 I54 P171 V548 C551Y24-W52 CarbonylContact C-O 3.49Å; Y24-W52 VanDerWaalsContact CA-O 3.24Å; Y24-W52 WeakPolarHBondContact CA-O 3.08Å; R25-W52 HydrophobicContact CB-CB 4.49Å; R25-W52 PolarHBondContact N-O 3.28Å; R25-W52 PolarHBondContact O-N 3.07Å; A27-W52 VanDerWaalsContact CB-CD1 3.48Å; W52-I54 PolarHBondContact O-N 3.43Å; W52-P171 HydrophobicContact CD2-CB 3.82Å; W52-P171 HydrophobicContact CD2-CG 4.26Å; W52-P171 HydrophobicContact CE3-CB 4.26Å; W52-P171 HydrophobicContact CE3-CG 4.37Å; W52-P171 HydrophobicContact CG-CB 4.19Å; W52-P171 HydrophobicContact CH2-CB 4.46Å; W52-P171 HydrophobicContact CH2-CG 3.85Å; W52-P171 HydrophobicContact CZ2-CB 4.04Å; W52-P171 HydrophobicContact CZ2-CG 3.71Å; W52-P171 HydrophobicContact CZ3-CG 4.17Å; W52-V548 HydrophobicContact CZ2-CG1 3.98Å; W52-C551 HydrophobicContact CB-CB 4.22Å; W52-C551 HydrophobicContact CD2-CB 3.88Å; W52-C551 HydrophobicContact CG-CB 3.7Å
53P93.1Very high94.9Very high6 Ų635.3 Ų35.34%0.03917%0.173CC..EExtended strand (participates in β ladder)trans-68.2128.4174.216.9-19.9000111.8L58 I166 F170 F172P53-L58 HydrophobicContact CB-CD2 3.96Å; P53-I166 HydrophobicContact CB-CG2 4Å; P53-I166 HydrophobicContact CG-CB 4.49Å; P53-I166 HydrophobicContact CG-CG1 4.48Å; P53-I166 HydrophobicContact CG-CG2 4.41Å; P53-F170 WeakPolarHBondContact CD-O 3.45Å; P53-F170 VanDerWaalsContact CG-O 3.27Å; P53-F170 WeakPolarHBondContact CG-O 3.35Å; P53-F172 HydrophobicContact CB-CE1 4.43Å; P53-F172 HydrophobicContact CG-CD1 4.33Å; P53-F172 HydrophobicContact CG-CE1 3.84Å
54I90.4Very high94.8Very high55 Ų5535.3 Ų35.328%0.28217%0.173SC..SBendtrans-88.1-35.6176-54.9169.2000110.1Q23 R25 W52 K169Q23-I54 WeakPolarHBondContact O-CB 3.34Å; Q23-I54 PolarHBondContact O-N 3.09Å; R25-I54 HydrophobicContact CG-CD1 3.6Å; R25-I54 HydrophobicContact CG-CG1 3.89Å; W52-I54 PolarHBondContact O-N 3.43Å; I54-K169 WeakPolarHBondContact O-CE 3.32Å; I54-K169 PolarHBondContact O-NZ 3.47Å
55T90.7Very high94.6Very high39 Ų3933.3 Ų33.324%0.23916%0.161CC..SBendtrans-111.8153.8179.170.70000111.2Q23 T57Q23-T55 HydrophobicContact CB-CG2 4.14Å; Q23-T55 WeakPolarHBondContact CB-OG1 3.21Å; Q23-T55 HydrophobicContact CG-CG2 3.99Å; Q23-T55 PolarHBondContact O-N 3.38Å; Q23-T55 PolarHBondContact OE1-OG1 3.17Å; Q23-T55 VanDerWaalsContact OE1-OG1 3.06Å; T55-T57 PolarHBondContact O-N 3.3Å; T55-T57 PolarHBondContact OG1-OG1 3.12Å
56S90.8Very high94.3Very high59 Ų5933.6 Ų33.641%0.41316%0.161SC..THydrogen-bonded Turntrans-76.9-12.1172.550.60000113.1R59S56-R59 PolarHBondContact O-NH1 3.38Å
57T91.3Very high94Very high84 Ų8433.3 Ų33.352%0.51516%0.161SC..THydrogen-bonded Turntrans-91.30.4-176.452.60000113.5Q23 T55 R59Q23-T57 PolarHBondContact OE1-OG1 2.96Å; T55-T57 PolarHBondContact O-N 3.3Å; T55-T57 PolarHBondContact OG1-OG1 3.12Å; T57-R59 WeakPolarHBondContact O-CG 3.27Å; T57-R59 PolarHBondContact O-N 3.02Å
58L93.7Very high93.7Very high1 Ų133.6 Ų33.61%0.00516%0.163CC..  trans-60121.6178.2-175.771000110.5Q23 Y24 P53 R60 I61 L158 I166 F172Q23-L58 HydrophobicContact CB-CD1 3.85Å; Y24-L58 HydrophobicContact CD1-CD1 3.76Å; P53-L58 HydrophobicContact CB-CD2 3.96Å; L58-R60 VanDerWaalsContact CD1-O 3.31Å; L58-R60 WeakPolarHBondContact CD1-O 3.01Å; L58-I61 HydrophobicContact CD1-CG1 4.24Å; L58-I61 HydrophobicContact CD2-CD1 4.21Å; L58-I61 HydrophobicContact CD2-CG1 4.3Å; L58-L158 HydrophobicContact CD2-CD1 3.97Å; L58-L158 HydrophobicContact CG-CD1 3.85Å; L58-I166 HydrophobicContact CB-CG2 3.92Å; L58-F172 HydrophobicContact CD2-CE1 4.39Å; L58-F172 HydrophobicContact CD2-CZ 4.06Å
59R94.2Very high93.6Very high91 Ų9139.3 Ų39.334%0.34318%0.181SC..  trans-128.9-21.4178.1-62.8-61.4176.5-88.8-2.7113.5S56 T57 L158S56-R59 PolarHBondContact O-NH1 3.38Å; T57-R59 WeakPolarHBondContact O-CG 3.27Å; T57-R59 PolarHBondContact O-N 3.02Å; R59-L158 PolarHBondContact O-N 3.35Å
60R94.6Very high93.7Very high141 Ų14140 Ų4053%0.53219%0.185SC..EExtended strand (participates in β ladder)trans-133.9145.1-179.6-66.9-174.9-74.2173-4109.3L58 V156 R157L58-R60 VanDerWaalsContact CD1-O 3.31Å; L58-R60 WeakPolarHBondContact CD1-O 3.01Å; R60-V156 CarbonylContact C-O 3.57Å; R60-V156 VanDerWaalsContact CA-O 3.27Å; R60-V156 WeakPolarHBondContact CA-O 3.33Å; R60-R157 HydrophobicContact CG-CG 4.26Å
61I95.3Very high93.7Very high1 Ų143.5 Ų43.51%0.00520%0.2CC..EExtended strand (participates in β ladder)trans-126133.6170.6-69170.3000107.4Y24 I51 L58 I63 V156 L158 F172 I174Y24-I61 HydrophobicContact CD1-CG1 4.22Å; Y24-I61 HydrophobicContact CE1-CG1 4.23Å; Y24-I61 HydrophobicContact CE1-CG2 4.35Å; Y24-I61 HydrophobicContact CE2-CG2 4.12Å; I51-I61 HydrophobicContact CG1-CD1 4.48Å; I51-I61 HydrophobicContact CG2-CD1 3.97Å; L58-I61 HydrophobicContact CD1-CG1 4.24Å; L58-I61 HydrophobicContact CD2-CD1 4.21Å; L58-I61 HydrophobicContact CD2-CG1 4.3Å; I61-I63 HydrophobicContact CG2-CD1 4.46Å; I61-I63 HydrophobicContact CG2-CG1 4.05Å; I61-V156 HydrophobicContact CB-CB 4.31Å; I61-V156 PolarHBondContact N-O 2.85Å; I61-V156 PolarHBondContact O-N 2.96Å; I61-L158 HydrophobicContact CD1-CD1 4.22Å; I61-L158 HydrophobicContact CD1-CD2 4.36Å; I61-L158 HydrophobicContact CG1-CD1 4.44Å; I61-F172 HydrophobicContact CD1-CE2 3.6Å; I61-F172 HydrophobicContact CD1-CZ 3.59Å; I61-I174 HydrophobicContact CD1-CD1 3.73Å; I61-I174 HydrophobicContact CG2-CD1 4.33Å
62H96Very high93.9Very high31 Ų3148 Ų4814%0.14422%0.218CC..EExtended strand (participates in β ladder)trans-102130.8175.6-66.3-76.7000109.7Y24 D150 V154 T155Y24-H62 PolarHBondContact OH-O 3.31Å; H62-D150 PolarHBondContact CD2-O 2.82Å; H62-V154 CarbonylContact C-O 3.59Å; H62-V154 WeakPolarHBondContact CA-O 3.09Å; H62-T155 PolarHBondContact CE1-OG1 2.96Å; H62-T155 VanDerWaalsContact CE1-OG1 3.29Å; H62-T155 PolarHBondContact ND1-OG1 3.39Å
63I96.6Very high94.1Very high1 Ų145.3 Ų45.31%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-122.2138.5-179.6-63.1174000107.8I61 E153 V154 V156 I174 I176 P219I61-I63 HydrophobicContact CG2-CD1 4.46Å; I61-I63 HydrophobicContact CG2-CG1 4.05Å; I63-E153 PolarHBondContact O-N 2.99Å; I63-V154 HydrophobicContact CB-CB 4.1Å; I63-V154 PolarHBondContact N-O 3.27Å; I63-V154 WeakPolarHBondContact O-CB 3.12Å; I63-V154 PolarHBondContact O-N 2.94Å; I63-V156 HydrophobicContact CD1-CG2 3.86Å; I63-I174 HydrophobicContact CD1-CD1 4.47Å; I63-I174 HydrophobicContact CD1-CG2 4.25Å; I63-I176 HydrophobicContact CD1-CD1 3.43Å; I63-I176 VanDerWaalsContact CD1-CD1 3.43Å; I63-I176 HydrophobicContact CG2-CD1 4.15Å; I63-P219 HydrophobicContact CG2-CB 3.94Å
64N95.7Very high94.3Very high1 Ų146 Ų461%0.00521%0.211CC..BIsolated β-bridgetrans-90.1126.6179.4-53.1110.6000110.7T145 P147 A151 G152 E153 R215 P219 C220 D222N64-T145 PolarHBondContact ND2-O 2.81Å; N64-P147 VanDerWaalsContact OD1-CB 3.29Å; N64-P147 WeakPolarHBondContact OD1-CB 3.25Å; N64-P147 WeakPolarHBondContact OD1-CG 3.36Å; N64-A151 PolarHBondContact ND2-O 2.89Å; N64-G152 WeakPolarHBondContact ND2-CA 3.46Å; N64-E153 WeakPolarHBondContact CA-OE2 3.43Å; N64-E153 PolarHBondContact ND2-OE2 2.8Å; N64-R215 HydrophobicContact CB-CB 3.74Å; N64-R215 PolarHBondContact ND2-NH1 3.34Å; N64-P219 WeakPolarHBondContact O-CA 3.22Å; N64-C220 WeakPolarHBondContact CA-O 3.24Å; N64-C220 WeakPolarHBondContact CB-O 3.34Å; N64-C220 PolarHBondContact N-O 2.74Å; N64-C220 PolarHBondContact O-N 3.22Å; N64-D222 HydrophobicContact CB-CB 3.81Å; N64-D222 PolarHBondContact OD1-N 3.07Å
65C94.2Very high94.6Very high0 Ų043.4 Ų43.40%020%0.197CC..  trans-160.5135.9176.7-164.50000109.1C68 Y114 E153 V154 R215 P219C65-C68 WeakPolarHBondContact SG-CB 3.36Å; C65-Y114 WeakPolarHBondContact O-CE2 3.29Å; C65-E153 PolarHBondContact N-OE2 2.82Å; C65-E153 WeakPolarHBondContact O-CB 3.38Å; C65-E153 WeakPolarHBondContact O-CG 3.29Å; C65-V154 HydrophobicContact CB-CG2 3.89Å; C65-R215 CarbonylContact C-O 3.48Å; C65-R215 WeakPolarHBondContact CA-O 3.14Å; C65-P219 HydrophobicContact CB-CB 4.14Å; C65-P219 HydrophobicContact CB-CG 4.44Å
66R91.4Very high94.7Very high9 Ų944.1 Ų44.13%0.03420%0.198CC..  trans-137.4151.5173.5-67.8-172.7-171.8158.72.7109.4C68 D116 T118 T145 E153 R215 L216R66-C68 PolarHBondContact O-N 2.86Å; R66-D116 IonicContact NE-OD1 3.02Å; R66-T118 VanDerWaalsContact NH2-CG2 3.32Å; R66-T145 PolarHBondContact NH2-OG1 2.88Å; R66-E153 HydrophobicContact CG-CG 4.06Å; R66-E153 IonicContact CZ-OE1 3.13Å; R66-E153 VanDerWaalsContact CZ-OE1 3.25Å; R66-E153 IonicContact NE-OE1 3.18Å; R66-E153 PolarHBondContact NE-OE1 3.36Å; R66-E153 IonicContact NH2-OE1 3.25Å; R66-E153 PolarHBondContact NH2-OE1 3.19Å; R66-R215 HydrophobicContact CG-CG 4.45Å; R66-R215 PolarHBondContact N-O 3.3Å; R66-L216 HydrophobicContact CB-CD2 4.05Å
67Q90.3Very high94.7Very high51 Ų5142 Ų4224%0.23818%0.184CC..SBendtrans64.9-19.3177.8-41.8-171.3-71.300115.5L180 S185 T1039Q67-L180 HydrophobicContact CB-CD1 4.07Å; Q67-S185 PolarHBondContact OE1-O 3.44Å; Q67-T1039 PolarHBondContact NE2-O 3.02Å
68C93.4Very high94.4Very high6 Ų638.5 Ų38.54%0.04116%0.163CC..EExtended strand (participates in β ladder)trans-74.1141.6171.8-570000111.3C65 R66 F178 S179C65-C68 WeakPolarHBondContact SG-CB 3.36Å; R66-C68 PolarHBondContact O-N 2.86Å; C68-F178 HydrophobicContact CB-CB 4.37Å; C68-F178 HydrophobicContact CB-CD2 4.35Å; C68-S179 WeakPolarHBondContact CA-O 3.45Å
69R95.7Very high93.3Very high178 Ų17844 Ų4467%0.67219%0.193SC*.EExtended strand (participates in β ladder)trans-89.5119.9164178.9177176.9175.81.1108.6F178 S179R69-F178 CarbonylContact O-C 3.59Å; R69-F178 VanDerWaalsContact O-CA 3.27Å; R69-F178 WeakPolarHBondContact O-CA 3.43Å; R69-S179 PolarHBondContact N-O 3.05Å; R69-S179 PolarHBondContact O-N 3.34Å
70I96.7Very high91.2Very high16 Ų1642 Ų428%0.08219%0.189CC..EExtended strand (participates in β ladder)trans-84.3129.6174.2-58.7174.9000108.5I73 I112 Y114 V154 I176I70-I73 HydrophobicContact CG2-CD1 4.28Å; I70-I73 HydrophobicContact CG2-CG1 3.87Å; I70-I112 HydrophobicContact CB-CD1 4.39Å; I70-I112 HydrophobicContact CB-CG2 4.08Å; I70-I112 HydrophobicContact CG2-CD1 3.92Å; I70-I112 HydrophobicContact CG2-CG1 4.07Å; I70-I112 HydrophobicContact CG2-CG2 4.13Å; I70-I112 WeakPolarHBondContact O-CD1 3.41Å; I70-Y114 HydrophobicContact CD1-CD2 4.32Å; I70-V154 HydrophobicContact CD1-CB 4.34Å; I70-V154 HydrophobicContact CD1-CG1 4.04Å; I70-V154 HydrophobicContact CD1-CG2 3.31Å; I70-I176 HydrophobicContact CG1-CG2 4.4Å; I70-I176 HydrophobicContact CG2-CG2 3.85Å
71H96.8Very high88.7Confident84 Ų8441.9 Ų41.939%0.38919%0.194SC..EExtended strand (participates in β ladder)trans-99.6-38.9180-63.5-62.5000112.1E177 S179H71-E177 HydrophobicContact CB-CB 4.29Å; H71-E177 PolarHBondContact N-O 2.99Å; H71-S179 WeakPolarHBondContact NE2-CB 3.39Å; H71-S179 PolarHBondContact NE2-OG 2.87Å
72R97.4Very high86Confident97 Ų9745.9 Ų45.937%0.36622%0.222SC..EExtended strand (participates in β ladder)trans-154.2143.4-175.3-167.6179.6-177.8-167.60.5110.9D109 I176 E177R72-D109 IonicContact CZ-OD1 3.28Å; R72-D109 VanDerWaalsContact CZ-OD1 3.24Å; R72-D109 IonicContact CZ-OD2 3.77Å; R72-D109 IonicContact NE-OD1 3.83Å; R72-D109 PolarHBondContact NE-OD1 2.87Å; R72-D109 IonicContact NE-OD2 3.96Å; R72-D109 VanDerWaalsContact NH2-CG 3.34Å; R72-D109 IonicContact NH2-OD1 2.66Å; R72-D109 PolarHBondContact NH2-OD1 3.24Å; R72-D109 IonicContact NH2-OD2 4Å; R72-D109 PolarHBondContact NH2-OD2 2.95Å; R72-I176 WeakPolarHBondContact O-CA 3.12Å; R72-E177 HydrophobicContact CB-CB 4.09Å; R72-E177 HydrophobicContact CB-CG 4.23Å; R72-E177 IonicContact NH1-OE1 3.55Å; R72-E177 PolarHBondContact O-N 3.44Å
73I97.7Very high83.1Confident1 Ų147 Ų471%0.00524%0.238CC..EExtended strand (participates in β ladder)trans-124.5116.9168.6-57.8175.2000107I70 L110 I112 V154 V156 I174 T175 I176I70-I73 HydrophobicContact CG2-CD1 4.28Å; I70-I73 HydrophobicContact CG2-CG1 3.87Å; I73-L110 HydrophobicContact CB-CB 4.29Å; I73-L110 HydrophobicContact CG2-CB 4.16Å; I73-L110 HydrophobicContact CG2-CD1 4.25Å; I73-L110 PolarHBondContact O-N 2.89Å; I73-I112 HydrophobicContact CD1-CG1 4.22Å; I73-I112 HydrophobicContact CG1-CG1 4.27Å; I73-V154 HydrophobicContact CD1-CG1 3.97Å; I73-V156 HydrophobicContact CG2-CG2 4.37Å; I73-I174 HydrophobicContact CG2-CG2 4.09Å; I73-T175 CarbonylContact C-O 3.47Å; I73-T175 WeakPolarHBondContact CA-O 3.3Å; I73-I176 HydrophobicContact CG1-CG1 4.38Å; I73-I176 HydrophobicContact CG1-CG2 4.41Å; I73-I176 HydrophobicContact CG2-CG1 4.44Å
74L97.3Very high80.1Confident21 Ų2154.3 Ų54.311%0.1127%0.272CS..EExtended strand (participates in β ladder)trans-113.8133.5179.8179.571.3000109.3E76 P107 D109 T175L74-E76 HydrophobicContact CD2-CG 4.02Å; L74-E76 HydrophobicContact CG-CG 3.87Å; L74-P107 HydrophobicContact CD1-CB 4.03Å; L74-D109 WeakPolarHBondContact CD1-OD1 3.5Å; L74-T175 PolarHBondContact N-O 2.64Å; L74-T175 PolarHBondContact O-N 2.84Å
75L96Very high77.1Confident0 Ų063.5 Ų63.50%031%0.312CS..EExtended strand (participates in β ladder)trans-114.4128.7177.1-178.972.4000110.2P107 T108 L110 L158 P159 F162 F172 I174L75-P107 WeakPolarHBondContact O-CA 3.32Å; L75-T108 PolarHBondContact N-O 3.27Å; L75-T108 PolarHBondContact O-N 2.84Å; L75-L110 HydrophobicContact CB-CD1 3.82Å; L75-L110 HydrophobicContact CB-CG 4.2Å; L75-L110 HydrophobicContact CD2-CD1 4.26Å; L75-L158 HydrophobicContact CD1-CD2 4.13Å; L75-L158 HydrophobicContact CD2-CD2 3.89Å; L75-P159 HydrophobicContact CD2-CG 4.08Å; L75-F162 HydrophobicContact CB-CZ 4.36Å; L75-F162 HydrophobicContact CD1-CE1 4.39Å; L75-F162 HydrophobicContact CD2-CB 4.36Å; L75-F162 HydrophobicContact CD2-CD1 3.75Å; L75-F162 HydrophobicContact CD2-CD2 3.66Å; L75-F162 HydrophobicContact CD2-CE1 3.85Å; L75-F162 HydrophobicContact CD2-CE2 3.74Å; L75-F162 HydrophobicContact CD2-CG 3.65Å; L75-F162 HydrophobicContact CD2-CZ 3.84Å; L75-F162 HydrophobicContact CG-CD1 3.99Å; L75-F162 HydrophobicContact CG-CD2 4.42Å; L75-F162 HydrophobicContact CG-CE1 3.63Å; L75-F162 HydrophobicContact CG-CE2 4.07Å; L75-F162 HydrophobicContact CG-CG 4.37Å; L75-F162 HydrophobicContact CG-CZ 3.67Å; L75-F162 WeakPolarHBondContact O-CZ 3.46Å; L75-F172 HydrophobicContact CD1-CD2 3.53Å; L75-F172 HydrophobicContact CD1-CE2 4.07Å; L75-F172 HydrophobicContact CD1-CG 4.33Å; L75-I174 HydrophobicContact CD1-CG1 3.78Å
76E94.1Very high74.3Confident53 Ų5372.2 Ų72.225%0.24835%0.352CS..EExtended strand (participates in β ladder)trans-135.5144.9-174.5-54.5-175.799.200110.8L74 P107 F172 I173L74-E76 HydrophobicContact CD2-CG 4.02Å; L74-E76 HydrophobicContact CG-CG 3.87Å; E76-P107 HydrophobicContact CG-CB 3.8Å; E76-P107 HydrophobicContact CG-CG 4.04Å; E76-P107 WeakPolarHBondContact OE1-CB 3.21Å; E76-P107 VanDerWaalsContact OE1-CG 3.32Å; E76-P107 WeakPolarHBondContact OE1-CG 3.42Å; E76-F172 WeakPolarHBondContact O-CA 3.35Å; E76-F172 WeakPolarHBondContact O-CB 3.36Å; E76-I173 PolarHBondContact N-O 3.35Å; E76-I173 PolarHBondContact O-N 3.07Å
77A90.7Very high71.7Confident15 Ų1576.2 Ų76.212%0.12438%0.382CS..EExtended strand (participates in β ladder)trans-67.2138.7168.300000108.6P105 L165A77-P105 HydrophobicContact CB-CG 4.2Å; A77-L165 HydrophobicContact CB-CD1 3.73Å
78A85.6Confident69.1Low10 Ų1081.2 Ų81.28%0.08341%0.41CS..PPolyproline II helixtrans-81.5124.6176.300000109N80 P171 I173 V548A78-N80 PolarHBondContact O-N 2.94Å; A78-P171 HydrophobicContact CB-CB 4.2Å; A78-P171 HydrophobicContact CB-CG 4.11Å; A78-P171 WeakPolarHBondContact CB-O 3.14Å; A78-P171 PolarHBondContact N-O 3.27Å; A78-I173 HydrophobicContact CB-CD1 4.21Å; A78-I173 HydrophobicContact CB-CG1 3.91Å; A78-V548 HydrophobicContact CB-CG2 3.47Å; A78-V548 VanDerWaalsContact CB-CG2 3.47Å
79D68.9Low66.4Low118 Ų11892 Ų9263%0.63145%0.45SS*.PPolyproline II helixtrans-63.4118.1-177.2-72.6-31.8000110.8T547D79-T547 WeakPolarHBondContact O-CG2 3.29Å
80N51.2Low63.5Low48 Ų4893.2 Ų93.226%0.25746%0.46SS..  trans-113.783178.8-116.3-15.3000108.5A78 S82 A83A78-N80 PolarHBondContact O-N 2.94Å; N80-S82 PolarHBondContact O-N 2.64Å; N80-S82 VanDerWaalsContact O-N 3.09Å; N80-S82 PolarHBondContact OD1-OG 3.14Å; N80-A83 PolarHBondContact O-N 2.9Å
81E42.6Very low60.6Low138 Ų13895.9 Ų95.965%0.64549%0.492SS*.G310 helixtrans-59.7-17.7173.1-72.6-169.8157.900112.4A83 E84 T547E81-A83 PolarHBondContact O-N 3.4Å; E81-A83 VanDerWaalsContact O-N 3.15Å; E81-E84 PolarHBondContact O-N 2.99Å; E81-T547 HydrophobicContact CG-CG2 4.31Å
82S37.8Very low57.5Low85 Ų85103.9 Ų103.959%0.59452%0.518SS*.G310 helixtrans-66.8-10.9177.547.60000114.6N80N80-S82 PolarHBondContact O-N 2.64Å; N80-S82 VanDerWaalsContact O-N 3.09Å; N80-S82 PolarHBondContact OD1-OG 3.14Å
83A35.2Very low54.6Low56 Ų56106 Ų10646%0.46354%0.542SS..G310 helixtrans-90.6-14.1177.400000114.8N80 E81N80-A83 PolarHBondContact O-N 2.9Å; E81-A83 PolarHBondContact O-N 3.4Å; E81-A83 VanDerWaalsContact O-N 3.15Å
84E32.4Very low51.5Low154 Ų154112 Ų11272%0.7259%0.585SS**THydrogen-bonded Turntrans-82.9-24-177.9-69.1-165.1154.600113E81 E86 S87E81-E84 PolarHBondContact O-N 2.99Å; E84-E86 PolarHBondContact O-N 3.11Å; E84-S87 PolarHBondContact O-N 2.89Å; E84-S87 PolarHBondContact O-OG 2.88Å
85F34.7Very low48.6Very low193 Ų193114.3 Ų114.385%0.84661%0.614SS**THydrogen-bonded Turntrans-79.3-8.3-173.8-116.4-89.1000116
86E34.3Very low45.5Very low183 Ų183127.6 Ų127.686%0.85566%0.664SS**THydrogen-bonded Turntrans-94.1-10.9175.9-107.9-174171.500114E84E84-E86 PolarHBondContact O-N 3.11Å
87S36.3Very low42.4Very low93 Ų93128 Ų12865%0.6568%0.683SS**G310 helixtrans-83.6-16.2-17871.20000114.3E84E84-S87 PolarHBondContact O-N 2.89Å; E84-S87 PolarHBondContact O-OG 2.88Å
88D37.4Very low39.6Very low156 Ų156135 Ų13583%0.83472%0.717SS**G310 helixtrans-97.512.3-173.4-108.3-4.3000115.8
89R35.8Very low37.2Very low234 Ų234139.6 Ų139.688%0.88375%0.748SS**G310 helixtrans-112.410.6178.8-88.3-170.7177.9-172.22.1116.9
90K35.2Very low35.6Very low203 Ų203143.6 Ų143.688%0.88376%0.76SS**SBendtrans-119.3104.6168.2-80-175.8178.7174.10111.4
91G35.6Very low35.1Very low72 Ų72146.2 Ų146.274%0.74278%0.777SS**  trans-58.6146.3-179.100000114.6T93G91-T93 PolarHBondContact O-N 2.87Å
92R32.3Very low35.5Very low251 Ų251146.6 Ų146.695%0.94778%0.777SS**  trans11.1100.5149.3-74.2177.7170170.1-2.7116.1
93T36Very low36.5Very low141 Ų141150 Ų15087%0.86579%0.788SS**  trans-140.9134.3133.145.10000110.1G91G91-T93 PolarHBondContact O-N 2.87Å
94S33.2Very low38.3Very low128 Ų128152.1 Ų152.190%0.89580%0.795SS**  trans-63.8131.1179.748.80000112.9
95G35.1Very low40.6Very low70 Ų70145.8 Ų145.872%0.72277%0.767SS**  trans-177.9127.5164.200000109G97G95-G97 PolarHBondContact O-N 2.8Å
96W30.4Very low43.1Very low278 Ų278140.6 Ų140.6100%1.05376%0.755SS**  trans-46.6102175.7-94.137.3000111.1
97G29.5Very low45.8Very low63 Ų63135.6 Ų135.665%0.64974%0.738SS**  trans-116.3117.2177.800000109.1G95 S99G95-G97 PolarHBondContact O-N 2.8Å; G97-S99 PolarHBondContact O-N 3.08Å
98I32.9Very low48.5Very low162 Ų162132.8 Ų132.883%0.83172%0.717SS**  trans-48.7119.6166.5-65.2160.6000107.4K100I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 2.89Å
99S33.9Very low51.3Low106 Ų106129.7 Ų129.774%0.74170%0.701SS**  trans-56.497.6171.6-72.30000108.9G97 T101G97-S99 PolarHBondContact O-N 3.08Å; S99-T101 PolarHBondContact O-N 3.06Å
100K36.6Very low54.1Low201 Ų201119.5 Ų119.587%0.87466%0.664SS**  trans-74.672.7157.2-79.9-174.7176.1179.40106.8I98 K102I98-K100 VanDerWaalsContact C-N 3.33Å; I98-K100 PolarHBondContact O-N 2.89Å; K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.18Å
101T40.6Very low56.9Low103 Ų103113.9 Ų113.963%0.63265%0.648SS**  trans-55.3109150.136.60000104.9S99 L103S99-T101 PolarHBondContact O-N 3.06Å; T101-L103 VanDerWaalsContact C-N 3.26Å; T101-L103 PolarHBondContact O-N 2.84Å
102K51.4Low59.7Low147 Ų147113.8 Ų113.864%0.63963%0.63SS**  trans-53.8101.1166-104.3178.5168.8-1770104.8K100 T104K100-K102 VanDerWaalsContact C-N 3.33Å; K100-K102 PolarHBondContact O-N 3.18Å; K102-T104 VanDerWaalsContact C-N 3.32Å; K102-T104 PolarHBondContact O-N 2.89Å
103L57.2Low62.7Low156 Ų156104.5 Ų104.582%0.81760%0.599SS**  trans-64.7100173.5-9893000105.9T101T101-L103 VanDerWaalsContact C-N 3.26Å; T101-L103 PolarHBondContact O-N 2.84Å
104T73.1Confident65.4Low101 Ų101101.6 Ų101.662%0.6257%0.572SS**PPolyproline II helixtrans-60.7126.5156.841.20000106.4K102 S106K102-T104 VanDerWaalsContact C-N 3.32Å; K102-T104 PolarHBondContact O-N 2.89Å; T104-S106 PolarHBondContact O-N 2.85Å
105P81.8Confident68.3Low21 Ų21100.3 Ų100.314%0.13656%0.559CS.*PPolyproline II helixtrans-62.3139.4178.424.9-32.1000109.2A77 D161 F162 L165A77-P105 HydrophobicContact CB-CG 4.2Å; P105-D161 HydrophobicContact CB-CB 4.32Å; P105-F162 HydrophobicContact CB-CD2 3.86Å; P105-F162 HydrophobicContact CB-CE1 4.37Å; P105-F162 HydrophobicContact CB-CE2 3.65Å; P105-F162 HydrophobicContact CB-CG 4.35Å; P105-F162 HydrophobicContact CB-CZ 3.92Å; P105-F162 HydrophobicContact CG-CD1 3.82Å; P105-F162 HydrophobicContact CG-CD2 3.98Å; P105-F162 HydrophobicContact CG-CE1 3.71Å; P105-F162 HydrophobicContact CG-CE2 3.9Å; P105-F162 HydrophobicContact CG-CG 3.97Å; P105-F162 HydrophobicContact CG-CZ 3.76Å; P105-L165 HydrophobicContact CG-CD1 4.42Å
106S86.2Confident70.9Confident83 Ų8397.8 Ų97.858%0.5853%0.529SS*.PPolyproline II helixtrans-66.5149.8177.552.70000111T104 T108T104-S106 PolarHBondContact O-N 2.85Å; S106-T108 PolarHBondContact O-N 2.83Å; S106-T108 PolarHBondContact O-OG1 2.95Å
107P90.6Very high73.7Confident79 Ų7986.1 Ų86.151%0.51349%0.489SS..  trans-46126.3169.3-31.738.1000111.6L74 L75 E76L74-P107 HydrophobicContact CD1-CB 4.03Å; L75-P107 WeakPolarHBondContact O-CA 3.32Å; E76-P107 HydrophobicContact CG-CB 3.8Å; E76-P107 HydrophobicContact CG-CG 4.04Å; E76-P107 WeakPolarHBondContact OE1-CB 3.21Å; E76-P107 VanDerWaalsContact OE1-CG 3.32Å; E76-P107 WeakPolarHBondContact OE1-CG 3.42Å
108T93.7Very high76.4Confident34 Ų3483.2 Ų83.221%0.20946%0.459CS..EExtended strand (participates in β ladder)trans-127.8124.5-170.8-57.40000110.5L75 S106 L110 P159L75-T108 PolarHBondContact N-O 3.27Å; L75-T108 PolarHBondContact O-N 2.84Å; S106-T108 PolarHBondContact O-N 2.83Å; S106-T108 PolarHBondContact O-OG1 2.95Å; T108-L110 HydrophobicContact CG2-CD2 4.24Å; T108-P159 HydrophobicContact CG2-CG 4.44Å
109D95.4Very high79Confident90 Ų9079.9 Ų79.948%0.48144%0.442SS..EExtended strand (participates in β ladder)trans-74.5132.5171.9-75.4-43.6000110.5R72 L74R72-D109 IonicContact CZ-OD1 3.28Å; R72-D109 VanDerWaalsContact CZ-OD1 3.24Å; R72-D109 IonicContact CZ-OD2 3.77Å; R72-D109 IonicContact NE-OD1 3.83Å; R72-D109 PolarHBondContact NE-OD1 2.87Å; R72-D109 IonicContact NE-OD2 3.96Å; R72-D109 VanDerWaalsContact NH2-CG 3.34Å; R72-D109 IonicContact NH2-OD1 2.66Å; R72-D109 PolarHBondContact NH2-OD1 3.24Å; R72-D109 IonicContact NH2-OD2 4Å; R72-D109 PolarHBondContact NH2-OD2 2.95Å; L74-D109 WeakPolarHBondContact CD1-OD1 3.5Å
110L95.1Very high81.6Confident20 Ų2078.6 Ų78.611%0.10543%0.425CS..EExtended strand (participates in β ladder)trans-109.1147.7-176.8-61.2-177.2000111.2I73 L75 T108 V156 P159I73-L110 HydrophobicContact CB-CB 4.29Å; I73-L110 HydrophobicContact CG2-CB 4.16Å; I73-L110 HydrophobicContact CG2-CD1 4.25Å; I73-L110 PolarHBondContact O-N 2.89Å; L75-L110 HydrophobicContact CB-CD1 3.82Å; L75-L110 HydrophobicContact CB-CG 4.2Å; L75-L110 HydrophobicContact CD2-CD1 4.26Å; T108-L110 HydrophobicContact CG2-CD2 4.24Å; L110-V156 HydrophobicContact CD1-CG1 3.45Å; L110-V156 VanDerWaalsContact CD1-CG1 3.45Å; L110-P159 HydrophobicContact CD2-CG 4.09Å
111P94.8Very high84Confident85 Ų8569.4 Ų69.455%0.55239%0.385SS*.  trans-64.6139.2173.128-34.3000110.6L113P111-L113 PolarHBondContact O-N 2.82Å
112I93.9Very high86.2Confident71 Ų7164.5 Ų64.536%0.36436%0.355SS..  trans-81.2109.4177.3-58.8167.3000108.5I70 I73I70-I112 HydrophobicContact CB-CD1 4.39Å; I70-I112 HydrophobicContact CB-CG2 4.08Å; I70-I112 HydrophobicContact CG2-CD1 3.92Å; I70-I112 HydrophobicContact CG2-CG1 4.07Å; I70-I112 HydrophobicContact CG2-CG2 4.13Å; I70-I112 WeakPolarHBondContact O-CD1 3.41Å; I73-I112 HydrophobicContact CD1-CG1 4.22Å; I73-I112 HydrophobicContact CG1-CG1 4.27Å
113L94.9Very high87.4Confident56 Ų5663.4 Ų63.429%0.29335%0.352SS..  trans-106.792.6172-56.6175.9000108.3P111 V154 T155 R157P111-L113 PolarHBondContact O-N 2.82Å; L113-V154 WeakPolarHBondContact O-CA 3.4Å; L113-T155 WeakPolarHBondContact CB-O 3.32Å; L113-T155 PolarHBondContact O-N 3.41Å; L113-R157 HydrophobicContact CD1-CG 3.99Å
114Y94.1Very high87.6Confident79 Ų7965.6 Ų65.631%0.3135%0.349SS..BIsolated β-bridgetrans-116.7124.6-178.1175-101.4000110.7C65 I70 D116 E153 V154C65-Y114 WeakPolarHBondContact O-CE2 3.29Å; I70-Y114 HydrophobicContact CD1-CD2 4.32Å; Y114-D116 HydrophobicContact CE1-CB 4.23Å; Y114-E153 WeakPolarHBondContact CA-O 3.38Å; Y114-E153 HydrophobicContact CD2-CB 4.45Å; Y114-E153 HydrophobicContact CE2-CB 4.17Å; Y114-V154 HydrophobicContact CD2-CG2 3.83Å; Y114-V154 HydrophobicContact CE2-CG2 4.49Å
115T92.3Very high86.9Confident101 Ų10167.7 Ų67.762%0.6236%0.357SS*.  trans-138.3119.6175.5-55.10000109.1P117 E153T115-P117 VanDerWaalsContact O-CD 3.25Å; T115-P117 WeakPolarHBondContact O-CD 3.46Å; T115-E153 PolarHBondContact N-O 3.23Å; T115-E153 WeakPolarHBondContact O-CA 3.27Å; T115-E153 WeakPolarHBondContact O-CB 3.45Å
116D90Very high86Confident17 Ų1767.8 Ų67.89%0.09136%0.356CS..  trans-107.594.2174-175-6.3000110.2R66 Y114 T118 L119R66-D116 IonicContact NE-OD1 3.02Å; Y114-D116 HydrophobicContact CE1-CB 4.23Å; D116-T118 PolarHBondContact O-N 3.49Å; D116-T118 VanDerWaalsContact O-N 3.15Å; D116-T118 WeakPolarHBondContact OD1-CA 3.39Å; D116-T118 VanDerWaalsContact OD1-CB 3.31Å; D116-T118 WeakPolarHBondContact OD1-CB 3.49Å; D116-T118 PolarHBondContact OD1-N 2.82Å; D116-T118 PolarHBondContact OD1-OG1 3.02Å; D116-L119 HydrophobicContact CB-CD1 4.04Å; D116-L119 HydrophobicContact CB-CG 4Å; D116-L119 PolarHBondContact O-N 2.91Å
117P89.4Confident85.2Confident34 Ų3470 Ų7022%0.22136%0.355CS..THydrogen-bonded Turntrans-69.6-6.7179.330.1-35.4000112.9T115 L119 V141 T145T115-P117 VanDerWaalsContact O-CD 3.25Å; T115-P117 WeakPolarHBondContact O-CD 3.46Å; P117-L119 VanDerWaalsContact C-N 3.34Å; P117-V141 HydrophobicContact CB-CG1 3.94Å; P117-V141 HydrophobicContact CB-CG2 4.25Å; P117-V141 HydrophobicContact CG-CG1 4.07Å; P117-V141 WeakPolarHBondContact O-CG1 3.38Å; P117-T145 HydrophobicContact CG-CG2 3.44Å; P117-T145 VanDerWaalsContact CG-CG2 3.44Å
118T87.2Confident84.4Confident2 Ų270.3 Ų70.31%0.01235%0.352CS..THydrogen-bonded Turntrans-84.2-9.5178750000114R66 D116 E120 V141 R1045R66-T118 VanDerWaalsContact NH2-CG2 3.32Å; D116-T118 PolarHBondContact O-N 3.49Å; D116-T118 VanDerWaalsContact O-N 3.15Å; D116-T118 WeakPolarHBondContact OD1-CA 3.39Å; D116-T118 VanDerWaalsContact OD1-CB 3.31Å; D116-T118 WeakPolarHBondContact OD1-CB 3.49Å; D116-T118 PolarHBondContact OD1-N 2.82Å; D116-T118 PolarHBondContact OD1-OG1 3.02Å; T118-E120 VanDerWaalsContact C-N 3.34Å; T118-V141 HydrophobicContact CG2-CG1 3.69Å; T118-R1045 PolarHBondContact O-NH2 3.45Å
119L87Confident84Confident92 Ų9271.4 Ų71.448%0.48235%0.353SS..SBendtrans-66.3-36.3175-68.4177.9000112.5D116 P117 Y1036 T1039D116-L119 HydrophobicContact CB-CD1 4.04Å; D116-L119 HydrophobicContact CB-CG 4Å; D116-L119 PolarHBondContact O-N 2.91Å; P117-L119 VanDerWaalsContact C-N 3.34Å; L119-Y1036 WeakPolarHBondContact O-CD1 3.43Å; L119-T1039 HydrophobicContact CD2-CG2 3.94Å
120E87.9Confident83.7Confident79 Ų7968.6 Ų68.637%0.36934%0.338SS..  trans-142.2104.2176.6176.1161.4-152.300109.5T118 C122 R124 Y1036T118-E120 VanDerWaalsContact C-N 3.34Å; E120-C122 VanDerWaalsContact CG-O 3.3Å; E120-C122 WeakPolarHBondContact CG-O 3.48Å; E120-R124 WeakPolarHBondContact OE1-CG 3.42Å; E120-R124 PolarHBondContact OE1-N 3Å; E120-Y1036 HydrophobicContact CB-CD1 4.16Å; E120-Y1036 HydrophobicContact CB-CE1 3.69Å; E120-Y1036 VanDerWaalsContact CD-CE1 3.43Å; E120-Y1036 HydrophobicContact CG-CD1 4.35Å; E120-Y1036 HydrophobicContact CG-CE1 3.43Å; E120-Y1036 VanDerWaalsContact CG-CE1 3.43Å; E120-Y1036 WeakPolarHBondContact OE1-CE1 3.31Å; E120-Y1036 PolarHBondContact OE1-OH 2.82Å
121I88.1Confident83.4Confident8 Ų867.6 Ų67.64%0.04133%0.333CS..SBendtrans-77-40.2-179.4-64.8167.7000111.5F134 R137 Y138 R1045I121-F134 HydrophobicContact CB-CD2 4.47Å; I121-F134 HydrophobicContact CB-CE2 3.94Å; I121-F134 HydrophobicContact CD1-CE2 3.52Å; I121-F134 HydrophobicContact CD1-CZ 3.48Å; I121-F134 VanDerWaalsContact CD1-CZ 3.48Å; I121-F134 HydrophobicContact CG1-CE2 4.34Å; I121-F134 HydrophobicContact CG2-CD2 4.03Å; I121-F134 HydrophobicContact CG2-CE2 3.84Å; I121-F134 HydrophobicContact CG2-CZ 4.5Å; I121-R137 HydrophobicContact CG2-CB 3.86Å; I121-R137 WeakPolarHBondContact O-CD 3.21Å; I121-Y138 HydrophobicContact CD1-CD2 3.38Å; I121-Y138 HydrophobicContact CD1-CE2 3.87Å; I121-Y138 HydrophobicContact CD1-CG 3.78Å; I121-Y138 HydrophobicContact CG1-CD2 4.01Å; I121-R1045 VanDerWaalsContact CD1-CZ 3.47Å
122C85.4Confident83.1Confident0 Ų066 Ų660%032%0.32CS..SBendtrans-122.5133.4-174-79.50000108.6E120 I126 W1031 Y1036E120-C122 VanDerWaalsContact CG-O 3.3Å; E120-C122 WeakPolarHBondContact CG-O 3.48Å; C122-I126 HydrophobicContact CB-CD1 3.42Å; C122-I126 VanDerWaalsContact CB-CD1 3.42Å; C122-I126 HydrophobicContact CB-CG1 4.45Å; C122-I126 VanDerWaalsContact SG-CD1 3.51Å; C122-W1031 HydrophobicContact CB-CZ2 4.49Å; C122-Y1036 PolarHBondContact O-OH 2.81Å
123E77.2Confident82.8Confident124 Ų12464 Ų6458%0.57931%0.313SS*.  trans-60.1147.7173.5-64.9151.6142.500110.2D125 I126 R137E123-D125 PolarHBondContact O-N 3.17Å; E123-I126 WeakPolarHBondContact O-CG1 3.36Å; E123-I126 PolarHBondContact O-N 2.89Å; E123-R137 IonicContact OE2-CZ 2.79Å; E123-R137 IonicContact OE2-NH1 3.98Å; E123-R137 PolarHBondContact OE2-NH1 3.01Å; E123-R137 IonicContact OE2-NH2 3.36Å; E123-R137 PolarHBondContact OE2-NH2 2.8Å
124R61.1Low82.6Confident201 Ų20161.4 Ų61.476%0.75830%0.299SS*.THydrogen-bonded Turntrans-51.8-30.1-175.2-66.3-179.5-176.8-169.5-1.1114.5E120 Y1036E120-R124 WeakPolarHBondContact OE1-CG 3.42Å; E120-R124 PolarHBondContact OE1-N 3Å; R124-Y1036 VanDerWaalsContact CG-OH 3.26Å; R124-Y1036 WeakPolarHBondContact CG-OH 3.42Å
125D57.9Low82.4Confident145 Ų14557.8 Ų57.878%0.77529%0.285SS*.THydrogen-bonded Turntrans-93.819.4-172.2-83.9-19.6000115.8E123 K127E123-D125 PolarHBondContact O-N 3.17Å; D125-K127 VanDerWaalsContact C-N 3.28Å; D125-K127 PolarHBondContact O-N 3.11Å
126I64.8Low82.3Confident23 Ų2360.8 Ų60.812%0.11829%0.285CS..  trans-6890.4172.9-60.3-179.2000110.2C122 E123 L128 R129C122-I126 HydrophobicContact CB-CD1 3.42Å; C122-I126 VanDerWaalsContact CB-CD1 3.42Å; C122-I126 HydrophobicContact CB-CG1 4.45Å; C122-I126 VanDerWaalsContact SG-CD1 3.51Å; E123-I126 WeakPolarHBondContact O-CG1 3.36Å; E123-I126 PolarHBondContact O-N 2.89Å; I126-L128 PolarHBondContact O-N 2.85Å; I126-R129 WeakPolarHBondContact O-CG 3.5Å; I126-R129 PolarHBondContact O-N 3.33Å
127K67.7Low82.4Confident129 Ų12964 Ų6456%0.56130%0.296SS*.THydrogen-bonded Turntrans-55.5-25.7-178.8-74.6179.9176.2-171.60114.1D125 P1067D125-K127 VanDerWaalsContact C-N 3.28Å; D125-K127 PolarHBondContact O-N 3.11Å; K127-P1067 HydrophobicContact CB-CB 3.89Å; K127-P1067 HydrophobicContact CB-CG 4.04Å; K127-P1067 HydrophobicContact CD-CB 3.93Å; K127-P1067 HydrophobicContact CG-CB 4.2Å
128L75.2Confident82.5Confident87 Ų8762.5 Ų62.546%0.45529%0.286SS..THydrogen-bonded Turntrans-94.7-21-172.3-63176.8000114.2I126 T130 R1060 P1067I126-L128 PolarHBondContact O-N 2.85Å; L128-T130 HydrophobicContact CB-CG2 4.12Å; L128-T130 PolarHBondContact O-N 3.33Å; L128-T130 VanDerWaalsContact O-N 3.08Å; L128-R1060 VanDerWaalsContact O-CG 3.31Å; L128-R1060 WeakPolarHBondContact O-CG 3.26Å; L128-P1067 HydrophobicContact CD2-CG 4.35Å
129R85.1Confident82.7Confident57 Ų5763.4 Ų63.422%0.21529%0.291CS..  trans38.847.2-178.8-59.6-172.8-177174.2-2.2113.8I126 W1031 Y1052 L1064I126-R129 WeakPolarHBondContact O-CG 3.5Å; I126-R129 PolarHBondContact O-N 3.33Å; R129-W1031 VanDerWaalsContact C-CH2 3.48Å; R129-W1031 VanDerWaalsContact CA-CH2 3.48Å; R129-W1031 HydrophobicContact CB-CD2 3.89Å; R129-W1031 HydrophobicContact CB-CE3 3.84Å; R129-W1031 HydrophobicContact CB-CH2 4.11Å; R129-W1031 HydrophobicContact CB-CZ2 4.12Å; R129-W1031 HydrophobicContact CB-CZ3 3.95Å; R129-W1031 HydrophobicContact CG-CD2 3.96Å; R129-W1031 HydrophobicContact CG-CE3 4.43Å; R129-W1031 HydrophobicContact CG-CG 4.28Å; R129-W1031 HydrophobicContact CG-CZ2 4.23Å; R129-W1031 WeakPolarHBondContact O-CZ3 3.35Å; R129-Y1052 PolarHBondContact O-OH 2.86Å; R129-L1064 HydrophobicContact CB-CD1 4.19Å; R129-L1064 HydrophobicContact CG-CD1 4.46Å
130T88.6Confident83.1Confident30 Ų3062.8 Ų62.818%0.18430%0.295CS..  trans-88.4137.4179.356.80000110.5L128 D132 S133 F134 R1060L128-T130 HydrophobicContact CB-CG2 4.12Å; L128-T130 PolarHBondContact O-N 3.33Å; L128-T130 VanDerWaalsContact O-N 3.08Å; T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 PolarHBondContact O-N 2.97Å; T130-S133 PolarHBondContact O-N 2.87Å; T130-S133 VanDerWaalsContact OG1-CB 3.26Å; T130-S133 WeakPolarHBondContact OG1-CB 3.31Å; T130-F134 PolarHBondContact O-N 3.47Å; T130-F134 VanDerWaalsContact O-N 3.13Å; T130-R1060 HydrophobicContact CG2-CB 4.18Å
131L89.6Confident83.3Confident0 Ų059.9 Ų59.90%028%0.282CS..Hα-helixtrans-62.9-36.3179.4-17166.2000111.7S133 F134 E135 Y454 M1034 A1049 Y1052 Y1053L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.03Å; L131-F134 HydrophobicContact CD1-CD1 4.15Å; L131-F134 WeakPolarHBondContact O-CB 3.16Å; L131-F134 PolarHBondContact O-N 3.42Å; L131-F134 VanDerWaalsContact O-N 3.12Å; L131-E135 HydrophobicContact CD1-CG 4.41Å; L131-E135 HydrophobicContact CG-CG 4.13Å; L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 VanDerWaalsContact O-CG 3.3Å; L131-E135 WeakPolarHBondContact O-CG 3.35Å; L131-E135 PolarHBondContact O-N 3.4Å; L131-Y454 HydrophobicContact CD2-CD2 3.49Å; L131-Y454 VanDerWaalsContact CD2-CD2 3.49Å; L131-Y454 HydrophobicContact CD2-CE2 3.64Å; L131-Y454 HydrophobicContact CD2-CG 4.19Å; L131-Y454 HydrophobicContact CG-CD2 4.09Å; L131-Y454 HydrophobicContact CG-CE2 4.27Å; L131-M1034 HydrophobicContact CD1-SD 4.11Å; L131-A1049 HydrophobicContact CD1-CB 4.37Å; L131-Y1052 HydrophobicContact CB-CD1 4.07Å; L131-Y1052 HydrophobicContact CB-CE1 4.19Å; L131-Y1052 HydrophobicContact CD1-CD1 4.05Å; L131-Y1052 HydrophobicContact CD2-CD1 4.48Å; L131-Y1052 HydrophobicContact CG-CD1 4.43Å; L131-Y1053 HydrophobicContact CD2-CD2 3.79Å; L131-Y1053 HydrophobicContact CD2-CG 4.18Å
132D87.6Confident83.5Confident50 Ų5059.7 Ų59.727%0.26728%0.282SS..Hα-helixtrans-62.5-35.1177.7-177.561.8000112.8T130 R136 N1058T130-D132 VanDerWaalsContact C-N 3.27Å; T130-D132 PolarHBondContact O-N 2.97Å; D132-R136 WeakPolarHBondContact O-CG 3.44Å; D132-R136 PolarHBondContact O-N 3.45Å; D132-R136 IonicContact OD1-NE 2.91Å; D132-R136 IonicContact OD2-CZ 3.63Å; D132-R136 IonicContact OD2-NE 3.25Å; D132-R136 PolarHBondContact OD2-NE 3.11Å; D132-R136 IonicContact OD2-NH2 2.85Å; D132-R136 PolarHBondContact OD2-NH2 2.71Å; D132-N1058 HydrophobicContact CB-CB 4.48Å
133S87.5Confident83.8Confident31 Ų3162.5 Ų62.522%0.21730%0.299CS..Hα-helixtrans-70.2-40.5173.1-178.90000111.7T130 L131 R137T130-S133 PolarHBondContact O-N 2.87Å; T130-S133 VanDerWaalsContact OG1-CB 3.26Å; T130-S133 WeakPolarHBondContact OG1-CB 3.31Å; L131-S133 VanDerWaalsContact C-N 3.29Å; L131-S133 PolarHBondContact O-N 3.03Å; S133-R137 PolarHBondContact O-N 3.44Å
134F91.4Very high84.5Confident0 Ų059.5 Ų59.50%029%0.292CS..Hα-helixtrans-61.4-50.7176.6172.8-95.2000110.8I121 T130 L131 R136 R137 Y138 W1031 M1034 N1035 R1045I121-F134 HydrophobicContact CB-CD2 4.47Å; I121-F134 HydrophobicContact CB-CE2 3.94Å; I121-F134 HydrophobicContact CD1-CE2 3.52Å; I121-F134 HydrophobicContact CD1-CZ 3.48Å; I121-F134 VanDerWaalsContact CD1-CZ 3.48Å; I121-F134 HydrophobicContact CG1-CE2 4.34Å; I121-F134 HydrophobicContact CG2-CD2 4.03Å; I121-F134 HydrophobicContact CG2-CE2 3.84Å; I121-F134 HydrophobicContact CG2-CZ 4.5Å; T130-F134 PolarHBondContact O-N 3.47Å; T130-F134 VanDerWaalsContact O-N 3.13Å; L131-F134 HydrophobicContact CD1-CD1 4.15Å; L131-F134 WeakPolarHBondContact O-CB 3.16Å; L131-F134 PolarHBondContact O-N 3.42Å; L131-F134 VanDerWaalsContact O-N 3.12Å; F134-R136 PolarHBondContact O-N 3.12Å; F134-R137 CarbonylContact O-C 3.26Å; F134-R137 PolarHBondContact O-N 3.39Å; F134-R137 VanDerWaalsContact O-N 3.16Å; F134-Y138 HydrophobicContact CE1-CD1 4.04Å; F134-Y138 HydrophobicContact CE1-CG 4.33Å; F134-Y138 HydrophobicContact CZ-CD1 4.33Å; F134-Y138 HydrophobicContact CZ-CG 4.36Å; F134-Y138 WeakPolarHBondContact O-CB 3.22Å; F134-Y138 PolarHBondContact O-N 2.97Å; F134-W1031 HydrophobicContact CB-CH2 3.81Å; F134-W1031 HydrophobicContact CB-CZ3 4.21Å; F134-M1034 HydrophobicContact CE1-CB 4.38Å; F134-M1034 HydrophobicContact CE2-CB 3.92Å; F134-M1034 HydrophobicContact CZ-CB 3.79Å; F134-N1035 WeakPolarHBondContact CD2-OD1 3.4Å; F134-N1035 WeakPolarHBondContact CE2-OD1 3.3Å; F134-R1045 HydrophobicContact CZ-CG 4.45Å
135E90.2Very high86Confident4 Ų450 Ų502%0.01926%0.256CS..Hα-helixtrans-60.2-44.1-178.1-71.2-64.1142.100112.3L131 R137 Y138 T139 Y454 F455L131-E135 HydrophobicContact CD1-CG 4.41Å; L131-E135 HydrophobicContact CG-CG 4.13Å; L131-E135 WeakPolarHBondContact O-CB 3.25Å; L131-E135 VanDerWaalsContact O-CG 3.3Å; L131-E135 WeakPolarHBondContact O-CG 3.35Å; L131-E135 PolarHBondContact O-N 3.4Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.2Å; E135-Y138 PolarHBondContact O-N 2.94Å; E135-T139 WeakPolarHBondContact O-CB 3.3Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.15Å; E135-Y454 HydrophobicContact CG-CD2 3.86Å; E135-Y454 HydrophobicContact CG-CE2 4.23Å; E135-Y454 WeakPolarHBondContact OE1-CE2 3.42Å; E135-F455 WeakPolarHBondContact OE2-CA 3.27Å; E135-F455 WeakPolarHBondContact OE2-CB 3.47Å
136R89.8Confident87.6Confident163 Ų16344.7 Ų44.762%0.61523%0.228SC*.Hα-helixtrans-59.4-44.4176.2-71.8179.9-150.3173.2-1112.1D132 F134 S140D132-R136 WeakPolarHBondContact O-CG 3.44Å; D132-R136 PolarHBondContact O-N 3.45Å; D132-R136 IonicContact OD1-NE 2.91Å; D132-R136 IonicContact OD2-CZ 3.63Å; D132-R136 IonicContact OD2-NE 3.25Å; D132-R136 PolarHBondContact OD2-NE 3.11Å; D132-R136 IonicContact OD2-NH2 2.85Å; D132-R136 PolarHBondContact OD2-NH2 2.71Å; F134-R136 PolarHBondContact O-N 3.12Å; R136-S140 WeakPolarHBondContact O-CB 3.06Å; R136-S140 PolarHBondContact O-N 3.45Å; R136-S140 VanDerWaalsContact O-N 3.11Å
137R91.1Very high88.9Confident84 Ų8443.8 Ų43.832%0.31722%0.223SC..Hα-helixtrans-66.4-42.5176.2-70.2-165.7-171.5-159.61.3110.7I121 E123 S133 F134 E135 S140 V141I121-R137 HydrophobicContact CG2-CB 3.86Å; I121-R137 WeakPolarHBondContact O-CD 3.21Å; E123-R137 IonicContact OE2-CZ 2.79Å; E123-R137 IonicContact OE2-NH1 3.98Å; E123-R137 PolarHBondContact OE2-NH1 3.01Å; E123-R137 IonicContact OE2-NH2 3.36Å; E123-R137 PolarHBondContact OE2-NH2 2.8Å; S133-R137 PolarHBondContact O-N 3.44Å; F134-R137 CarbonylContact O-C 3.26Å; F134-R137 PolarHBondContact O-N 3.39Å; F134-R137 VanDerWaalsContact O-N 3.16Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.2Å; R137-S140 WeakPolarHBondContact O-CB 3.49Å; R137-S140 PolarHBondContact O-N 3.45Å; R137-V141 WeakPolarHBondContact O-CB 2.93Å; R137-V141 VanDerWaalsContact O-CG2 3.28Å; R137-V141 WeakPolarHBondContact O-CG2 3.28Å; R137-V141 PolarHBondContact O-N 2.96Å
138Y92.4Very high89.9Confident3 Ų339.6 Ų39.61%0.01221%0.207CC..Hα-helixtrans-64.3-44.9-178.9-171.5-151.4000111.9I121 F134 E135 S140 V141 V142 H461 L462 R1045I121-Y138 HydrophobicContact CD1-CD2 3.38Å; I121-Y138 HydrophobicContact CD1-CE2 3.87Å; I121-Y138 HydrophobicContact CD1-CG 3.78Å; I121-Y138 HydrophobicContact CG1-CD2 4.01Å; F134-Y138 HydrophobicContact CE1-CD1 4.04Å; F134-Y138 HydrophobicContact CE1-CG 4.33Å; F134-Y138 HydrophobicContact CZ-CD1 4.33Å; F134-Y138 HydrophobicContact CZ-CG 4.36Å; F134-Y138 WeakPolarHBondContact O-CB 3.22Å; F134-Y138 PolarHBondContact O-N 2.97Å; E135-Y138 PolarHBondContact O-N 2.94Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.87Å; Y138-V141 PolarHBondContact O-N 3.13Å; Y138-V142 HydrophobicContact CD2-CG2 3.94Å; Y138-V142 HydrophobicContact CE2-CG2 3.55Å; Y138-V142 WeakPolarHBondContact O-CG2 3.42Å; Y138-V142 PolarHBondContact O-N 3.04Å; Y138-H461 PolarHBondContact OH-O 3Å; Y138-H461 VanDerWaalsContact OH-O 3.05Å; Y138-L462 HydrophobicContact CD1-CD2 3.43Å; Y138-L462 VanDerWaalsContact CD1-CD2 3.43Å; Y138-L462 HydrophobicContact CD2-CD2 4.26Å; Y138-L462 HydrophobicContact CE1-CD2 3.52Å; Y138-L462 HydrophobicContact CE2-CD2 4.3Å; Y138-L462 HydrophobicContact CG-CD2 3.83Å; Y138-R1045 HydrophobicContact CE1-CG 4.19Å; Y138-R1045 WeakPolarHBondContact OH-CD 3.41Å
139T92.3Very high90.6Very high21 Ų2139.6 Ų39.613%0.12921%0.205CC..Hα-helixtrans-56.2-49.6171.9-59.10000110.7E135 V141 V142 T143 D456 L462E135-T139 WeakPolarHBondContact O-CB 3.3Å; E135-T139 PolarHBondContact O-N 2.87Å; E135-T139 PolarHBondContact O-OG1 3.15Å; T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 3.14Å; T139-V142 PolarHBondContact O-N 2.71Å; T139-V142 VanDerWaalsContact O-N 3.17Å; T139-T143 PolarHBondContact O-N 2.83Å; T139-T143 PolarHBondContact O-OG1 3.41Å; T139-T143 VanDerWaalsContact O-OG1 3.04Å; T139-D456 HydrophobicContact CG2-CB 4.09Å; T139-L462 HydrophobicContact CG2-CD1 4.08Å
140S93.4Very high90.9Very high79 Ų7938.6 Ų38.655%0.55220%0.203SC*.Hα-helixtrans-58.8-38.8178.3-174.90000113R136 R137 Y138 S144R136-S140 WeakPolarHBondContact O-CB 3.06Å; R136-S140 PolarHBondContact O-N 3.45Å; R136-S140 VanDerWaalsContact O-N 3.11Å; R137-S140 WeakPolarHBondContact O-CB 3.49Å; R137-S140 PolarHBondContact O-N 3.45Å; Y138-S140 VanDerWaalsContact C-N 3.35Å; Y138-S140 PolarHBondContact O-N 2.87Å; S140-S144 WeakPolarHBondContact O-CB 3.41Å; S140-S144 PolarHBondContact O-N 3Å; S140-S144 PolarHBondContact O-OG 2.65Å
141V92.4Very high91.2Very high18 Ų1838 Ų3811%0.10920%0.201CC..Hα-helixtrans-68.7-39.2177.9160.60000111.7P117 T118 R137 Y138 T139 S144 T145P117-V141 HydrophobicContact CB-CG1 3.94Å; P117-V141 HydrophobicContact CB-CG2 4.25Å; P117-V141 HydrophobicContact CG-CG1 4.07Å; P117-V141 WeakPolarHBondContact O-CG1 3.38Å; T118-V141 HydrophobicContact CG2-CG1 3.69Å; R137-V141 WeakPolarHBondContact O-CB 2.93Å; R137-V141 VanDerWaalsContact O-CG2 3.28Å; R137-V141 WeakPolarHBondContact O-CG2 3.28Å; R137-V141 PolarHBondContact O-N 2.96Å; Y138-V141 PolarHBondContact O-N 3.13Å; T139-V141 VanDerWaalsContact C-N 3.28Å; T139-V141 PolarHBondContact O-N 3.14Å; V141-S144 PolarHBondContact O-OG 2.98Å; V141-T145 PolarHBondContact O-OG1 2.89Å; V141-T145 VanDerWaalsContact O-OG1 3.07Å
142V91.9Very high91.4Very high5 Ų538.5 Ų38.53%0.0321%0.207CC..Hα-helixtrans-67.7-45.6175.5171.40000110.2Y138 T139 S144 T145 D146 S459 H461 L462Y138-V142 HydrophobicContact CD2-CG2 3.94Å; Y138-V142 HydrophobicContact CE2-CG2 3.55Å; Y138-V142 WeakPolarHBondContact O-CG2 3.42Å; Y138-V142 PolarHBondContact O-N 3.04Å; T139-V142 PolarHBondContact O-N 2.71Å; T139-V142 VanDerWaalsContact O-N 3.17Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.01Å; V142-T145 CarbonylContact O-C 3.31Å; V142-T145 PolarHBondContact O-N 2.8Å; V142-T145 VanDerWaalsContact O-N 3.13Å; V142-T145 PolarHBondContact O-OG1 3.23Å; V142-T145 VanDerWaalsContact O-OG1 3.11Å; V142-D146 PolarHBondContact O-N 3.12Å; V142-S459 WeakPolarHBondContact CG1-OG 3.48Å; V142-H461 HydrophobicContact CG1-CB 4.31Å; V142-H461 HydrophobicContact CG2-CB 4.27Å; V142-L462 HydrophobicContact CB-CD1 4.38Å; V142-L462 HydrophobicContact CB-CD2 4.26Å; V142-L462 HydrophobicContact CB-CG 4.41Å; V142-L462 HydrophobicContact CG1-CD1 4.41Å; V142-L462 HydrophobicContact CG1-CG 4.4Å; V142-L462 HydrophobicContact CG2-CD2 3.7Å; V142-L462 HydrophobicContact CG2-CG 4.19Å
143T92.1Very high91.7Very high58 Ų5836.2 Ų36.236%0.35619%0.194SC..Hα-helixtrans-62.2-38.4177.1-53.60000112.4T139 T145 D146 E149T139-T143 PolarHBondContact O-N 2.83Å; T139-T143 PolarHBondContact O-OG1 3.41Å; T139-T143 VanDerWaalsContact O-OG1 3.04Å; T143-T145 PolarHBondContact O-N 2.76Å; T143-T145 VanDerWaalsContact O-N 3.13Å; T143-D146 WeakPolarHBondContact O-CB 3.38Å; T143-D146 PolarHBondContact O-N 2.83Å; T143-D146 VanDerWaalsContact O-N 3.13Å; T143-E149 HydrophobicContact CG2-CG 4.21Å
144S92.9Very high92.1Very high62 Ų6234.8 Ų34.843%0.43418%0.184SC..THydrogen-bonded Turntrans-70.1-5.817871.10000114.4S140 V141 V142 A151S140-S144 WeakPolarHBondContact O-CB 3.41Å; S140-S144 PolarHBondContact O-N 3Å; S140-S144 PolarHBondContact O-OG 2.65Å; V141-S144 PolarHBondContact O-OG 2.98Å; V142-S144 VanDerWaalsContact C-N 3.34Å; V142-S144 PolarHBondContact O-N 3.01Å; S144-A151 WeakPolarHBondContact O-CB 3.04Å
145T92.6Very high92.4Very high2 Ų236.1 Ų36.11%0.01219%0.193CC..THydrogen-bonded Turntrans-121.413174.655.10000112.1N64 R66 P117 V141 V142 T143 P147 E153 R215N64-T145 PolarHBondContact ND2-O 2.81Å; R66-T145 PolarHBondContact NH2-OG1 2.88Å; P117-T145 HydrophobicContact CG-CG2 3.44Å; P117-T145 VanDerWaalsContact CG-CG2 3.44Å; V141-T145 PolarHBondContact O-OG1 2.89Å; V141-T145 VanDerWaalsContact O-OG1 3.07Å; V142-T145 CarbonylContact O-C 3.31Å; V142-T145 PolarHBondContact O-N 2.8Å; V142-T145 VanDerWaalsContact O-N 3.13Å; V142-T145 PolarHBondContact O-OG1 3.23Å; V142-T145 VanDerWaalsContact O-OG1 3.11Å; T143-T145 PolarHBondContact O-N 2.76Å; T143-T145 VanDerWaalsContact O-N 3.13Å; T145-P147 WeakPolarHBondContact O-CD 3.07Å; T145-E153 WeakPolarHBondContact CB-OE1 3.44Å; T145-E153 HydrophobicContact CG2-CG 3.88Å; T145-R215 PolarHBondContact O-NH1 3.45Å
146D91.7Very high92.6Very high33 Ų3336 Ų3618%0.17619%0.192CC..  trans-83.3117.2-177.3-165.1-20.8000111.3V142 T143 D148 E149 A151V142-D146 PolarHBondContact O-N 3.12Å; T143-D146 WeakPolarHBondContact O-CB 3.38Å; T143-D146 PolarHBondContact O-N 2.83Å; T143-D146 VanDerWaalsContact O-N 3.13Å; D146-D148 PolarHBondContact O-N 3.33Å; D146-D148 PolarHBondContact OD1-N 2.55Å; D146-E149 HydrophobicContact CB-CB 4.25Å; D146-E149 HydrophobicContact CB-CG 4.21Å; D146-E149 PolarHBondContact O-N 3.47Å; D146-E149 VanDerWaalsContact O-N 3.07Å; D146-A151 CarbonylContact C-O 3.54Å; D146-A151 WeakPolarHBondContact O-CB 3.49Å; D146-A151 PolarHBondContact O-N 2.82Å
147P91.7Very high92.9Very high3 Ų335.6 Ų35.62%0.01919%0.191CC..G310 helixtrans-59.6-27.417618.7-30.2000114.3R22 N64 T145 E149 D150 A151 I221 D222 C223R22-P147 WeakPolarHBondContact CD-O 3.41Å; R22-P147 VanDerWaalsContact NH1-C 3.28Å; R22-P147 PolarHBondContact NH1-O 2.93Å; N64-P147 VanDerWaalsContact OD1-CB 3.29Å; N64-P147 WeakPolarHBondContact OD1-CB 3.25Å; N64-P147 WeakPolarHBondContact OD1-CG 3.36Å; T145-P147 WeakPolarHBondContact O-CD 3.07Å; P147-E149 PolarHBondContact O-N 3.16Å; P147-D150 PolarHBondContact O-N 2.57Å; P147-D150 VanDerWaalsContact O-N 3.12Å; P147-A151 WeakPolarHBondContact CA-O 3.34Å; P147-I221 HydrophobicContact CB-CG2 3.96Å; P147-D222 WeakPolarHBondContact CG-O 3.46Å; P147-C223 HydrophobicContact CB-CB 4.02Å; P147-C223 HydrophobicContact CG-CB 3.72Å
148D88.8Confident93.1Very high41 Ų4132.1 Ų32.122%0.21918%0.178CC..G310 helixtrans-73-18.7178.5-68.8-26.5000112.1R22 D146 D150 C223R22-D148 IonicContact CZ-OD1 3.27Å; R22-D148 IonicContact NH1-OD1 3.69Å; R22-D148 PolarHBondContact NH1-OD1 3.01Å; R22-D148 IonicContact NH2-OD1 3.02Å; D146-D148 PolarHBondContact O-N 3.33Å; D146-D148 PolarHBondContact OD1-N 2.55Å; D148-D150 VanDerWaalsContact C-N 3.33Å; D148-C223 VanDerWaalsContact OD1-CB 3.32Å; D148-C223 WeakPolarHBondContact OD1-CB 3.39Å
149E90.1Very high93.2Very high88 Ų8833.5 Ų33.541%0.41119%0.188SC..G310 helixtrans-92.812.5170.8-65.7-64.4132.500113K21 T143 D146 P147 A151K21-E149 IonicContact NZ-OE1 2.89Å; K21-E149 PolarHBondContact NZ-OE1 3.27Å; K21-E149 IonicContact NZ-OE2 3.99Å; K21-E149 PolarHBondContact NZ-OE2 3.08Å; T143-E149 HydrophobicContact CG2-CG 4.21Å; D146-E149 HydrophobicContact CB-CB 4.25Å; D146-E149 HydrophobicContact CB-CG 4.21Å; D146-E149 PolarHBondContact O-N 3.47Å; D146-E149 VanDerWaalsContact O-N 3.07Å; P147-E149 PolarHBondContact O-N 3.16Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 2.9Å
150D91.6Very high93.2Very high36 Ų3635.5 Ų35.519%0.19320%0.202CC..THydrogen-bonded Turntrans55.840.6-171.9-163.531.1000112.5R22 Y24 H62 P147 D148R22-D150 HydrophobicContact CG-CB 4.09Å; Y24-D150 WeakPolarHBondContact CE1-OD1 3.44Å; H62-D150 PolarHBondContact CD2-O 2.82Å; P147-D150 PolarHBondContact O-N 2.57Å; P147-D150 VanDerWaalsContact O-N 3.12Å; D148-D150 VanDerWaalsContact C-N 3.33Å
151A93.6Very high93.1Very high17 Ų1736.7 Ų36.714%0.1420%0.203CC..  trans-125.2164.2-179.200000112.7N64 S144 D146 P147 E149N64-A151 PolarHBondContact ND2-O 2.89Å; S144-A151 WeakPolarHBondContact O-CB 3.04Å; D146-A151 CarbonylContact C-O 3.54Å; D146-A151 WeakPolarHBondContact O-CB 3.49Å; D146-A151 PolarHBondContact O-N 2.82Å; P147-A151 WeakPolarHBondContact CA-O 3.34Å; E149-A151 VanDerWaalsContact C-N 3.28Å; E149-A151 PolarHBondContact O-N 2.9Å
152G93.6Very high93.1Very high11 Ų1135.9 Ų35.911%0.11320%0.198CC..  trans174.2161.9-17600000112.7N64 V154N64-G152 WeakPolarHBondContact ND2-CA 3.46Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 3.38Å
153E94.8Very high93.2Very high2 Ų240.8 Ų40.81%0.00922%0.216CC..SBendtrans-69.5-27.4-174-6484.3173.500112.9I63 N64 C65 R66 Y114 T115 T145 R215I63-E153 PolarHBondContact O-N 2.99Å; N64-E153 WeakPolarHBondContact CA-OE2 3.43Å; N64-E153 PolarHBondContact ND2-OE2 2.8Å; C65-E153 PolarHBondContact N-OE2 2.82Å; C65-E153 WeakPolarHBondContact O-CB 3.38Å; C65-E153 WeakPolarHBondContact O-CG 3.29Å; R66-E153 HydrophobicContact CG-CG 4.06Å; R66-E153 IonicContact CZ-OE1 3.13Å; R66-E153 VanDerWaalsContact CZ-OE1 3.25Å; R66-E153 IonicContact NE-OE1 3.18Å; R66-E153 PolarHBondContact NE-OE1 3.36Å; R66-E153 IonicContact NH2-OE1 3.25Å; R66-E153 PolarHBondContact NH2-OE1 3.19Å; Y114-E153 WeakPolarHBondContact CA-O 3.38Å; Y114-E153 HydrophobicContact CD2-CB 4.45Å; Y114-E153 HydrophobicContact CE2-CB 4.17Å; T115-E153 PolarHBondContact N-O 3.23Å; T115-E153 WeakPolarHBondContact O-CA 3.27Å; T115-E153 WeakPolarHBondContact O-CB 3.45Å; T145-E153 WeakPolarHBondContact CB-OE1 3.44Å; T145-E153 HydrophobicContact CG2-CG 3.88Å; E153-R215 IonicContact OE1-CZ 3Å; E153-R215 IonicContact OE1-NH1 2.65Å; E153-R215 PolarHBondContact OE1-NH1 3.12Å; E153-R215 IonicContact OE2-NH1 3.46Å; E153-R215 PolarHBondContact OE2-NH1 3.24Å
154V96.5Very high93.1Very high0 Ų041.4 Ų41.40%022%0.221CC..EExtended strand (participates in β ladder)trans-108.6124.5178.3-176.90000109.4H62 I63 C65 I70 I73 L113 Y114 G152 V156H62-V154 CarbonylContact C-O 3.59Å; H62-V154 WeakPolarHBondContact CA-O 3.09Å; I63-V154 HydrophobicContact CB-CB 4.1Å; I63-V154 PolarHBondContact N-O 3.27Å; I63-V154 WeakPolarHBondContact O-CB 3.12Å; I63-V154 PolarHBondContact O-N 2.94Å; C65-V154 HydrophobicContact CB-CG2 3.89Å; I70-V154 HydrophobicContact CD1-CB 4.34Å; I70-V154 HydrophobicContact CD1-CG1 4.04Å; I70-V154 HydrophobicContact CD1-CG2 3.31Å; I73-V154 HydrophobicContact CD1-CG1 3.97Å; L113-V154 WeakPolarHBondContact O-CA 3.4Å; Y114-V154 HydrophobicContact CD2-CG2 3.83Å; Y114-V154 HydrophobicContact CE2-CG2 4.49Å; G152-V154 VanDerWaalsContact C-N 3.31Å; G152-V154 PolarHBondContact O-N 3.38Å; V154-V156 HydrophobicContact CG1-CG2 4.44Å
155T96.5Very high92.9Very high29 Ų2939.5 Ų39.518%0.17821%0.206CC..EExtended strand (participates in β ladder)trans-107.9113.6175.8-58.70000111.2H62 L113 R157H62-T155 PolarHBondContact CE1-OG1 2.96Å; H62-T155 VanDerWaalsContact CE1-OG1 3.29Å; H62-T155 PolarHBondContact ND1-OG1 3.39Å; L113-T155 WeakPolarHBondContact CB-O 3.32Å; L113-T155 PolarHBondContact O-N 3.41Å; T155-R157 HydrophobicContact CG2-CG 4.47Å
156V95.9Very high92.9Very high1 Ų139.4 Ų39.41%0.00621%0.205CC..EExtended strand (participates in β ladder)trans-93115.4174.2-177.70000109R60 I61 I63 I73 L110 V154 L158 I174R60-V156 CarbonylContact C-O 3.57Å; R60-V156 VanDerWaalsContact CA-O 3.27Å; R60-V156 WeakPolarHBondContact CA-O 3.33Å; I61-V156 HydrophobicContact CB-CB 4.31Å; I61-V156 PolarHBondContact N-O 2.85Å; I61-V156 PolarHBondContact O-N 2.96Å; I63-V156 HydrophobicContact CD1-CG2 3.86Å; I73-V156 HydrophobicContact CG2-CG2 4.37Å; L110-V156 HydrophobicContact CD1-CG1 3.45Å; L110-V156 VanDerWaalsContact CD1-CG1 3.45Å; V154-V156 HydrophobicContact CG1-CG2 4.44Å; V156-L158 HydrophobicContact CG1-CD2 4.39Å; V156-I174 HydrophobicContact CG1-CD1 4.25Å
157R96Very high92.9Very high155 Ų15541 Ų4159%0.58522%0.219SC*.EExtended strand (participates in β ladder)trans-93.1122174.4-66.6-177.7-179.6168.20.7109.7R60 L113 T155R60-R157 HydrophobicContact CG-CG 4.26Å; L113-R157 HydrophobicContact CD1-CG 3.99Å; T155-R157 HydrophobicContact CG2-CG 4.47Å
158L94.5Very high92.8Very high10 Ų1045.9 Ų45.95%0.05224%0.241CC..PPolyproline II helixtrans-81.8119.9-176.3-60.3174000110.5L58 R59 I61 L75 V156 W163 I166 F172L58-L158 HydrophobicContact CD2-CD1 3.97Å; L58-L158 HydrophobicContact CG-CD1 3.85Å; R59-L158 PolarHBondContact O-N 3.35Å; I61-L158 HydrophobicContact CD1-CD1 4.22Å; I61-L158 HydrophobicContact CD1-CD2 4.36Å; I61-L158 HydrophobicContact CG1-CD1 4.44Å; L75-L158 HydrophobicContact CD1-CD2 4.13Å; L75-L158 HydrophobicContact CD2-CD2 3.89Å; V156-L158 HydrophobicContact CG1-CD2 4.39Å; L158-W163 PolarHBondContact O-NE1 2.89Å; L158-W163 VanDerWaalsContact O-NE1 3.16Å; L158-I166 HydrophobicContact CB-CD1 4.16Å; L158-I166 HydrophobicContact CD1-CD1 3.55Å; L158-I166 HydrophobicContact CG-CD1 4.42Å; L158-F172 HydrophobicContact CD1-CZ 4.1Å; L158-F172 HydrophobicContact CD2-CE2 4.14Å; L158-F172 HydrophobicContact CD2-CZ 4.34Å
159P94.2Very high92.8Very high33 Ų3349.2 Ų49.221%0.21425%0.254CS..PPolyproline II helixtrans-68.7158.3-178.327.7-32.3000111.7L75 T108 L110 D161 F162 W163L75-P159 HydrophobicContact CD2-CG 4.08Å; T108-P159 HydrophobicContact CG2-CG 4.44Å; L110-P159 HydrophobicContact CD2-CG 4.09Å; P159-D161 PolarHBondContact O-N 3.42Å; P159-D161 VanDerWaalsContact O-N 3.11Å; P159-F162 HydrophobicContact CG-CD2 3.82Å; P159-F162 HydrophobicContact CG-CE2 4.36Å; P159-F162 PolarHBondContact O-N 2.89Å; P159-F162 VanDerWaalsContact O-N 3.11Å; P159-W163 VanDerWaalsContact O-CD1 3.29Å; P159-W163 PolarHBondContact O-NE1 2.83Å
160S92.5Very high92.9Very high63 Ų6348.1 Ų48.144%0.44125%0.248SC..G310 helixtrans-56.1-30.9-17649.30000114.2F162 W163S160-F162 PolarHBondContact O-N 3.27Å; S160-W163 VanDerWaalsContact CA-CE2 3.47Å; S160-W163 WeakPolarHBondContact O-CB 3.45Å; S160-W163 PolarHBondContact O-N 3.05Å; S160-W163 VanDerWaalsContact O-N 3.07Å
161D91.5Very high92.9Very high104 Ų10446.4 Ų46.456%0.55624%0.239SC*.G310 helixtrans-67.3-22.2-176-55.8-15.4000112.1P105 P159P105-D161 HydrophobicContact CB-CB 4.32Å; P159-D161 PolarHBondContact O-N 3.42Å; P159-D161 VanDerWaalsContact O-N 3.11Å
162F92.4Very high92.9Very high1 Ų145.7 Ų45.70%0.00423%0.232CC..G310 helixtrans-92-11.8176.2-78.2-104.5000113.4L75 P105 P159 S160 P164 L165 I166 F172L75-F162 HydrophobicContact CB-CZ 4.36Å; L75-F162 HydrophobicContact CD1-CE1 4.39Å; L75-F162 HydrophobicContact CD2-CB 4.36Å; L75-F162 HydrophobicContact CD2-CD1 3.75Å; L75-F162 HydrophobicContact CD2-CD2 3.66Å; L75-F162 HydrophobicContact CD2-CE1 3.85Å; L75-F162 HydrophobicContact CD2-CE2 3.74Å; L75-F162 HydrophobicContact CD2-CG 3.65Å; L75-F162 HydrophobicContact CD2-CZ 3.84Å; L75-F162 HydrophobicContact CG-CD1 3.99Å; L75-F162 HydrophobicContact CG-CD2 4.42Å; L75-F162 HydrophobicContact CG-CE1 3.63Å; L75-F162 HydrophobicContact CG-CE2 4.07Å; L75-F162 HydrophobicContact CG-CG 4.37Å; L75-F162 HydrophobicContact CG-CZ 3.67Å; L75-F162 WeakPolarHBondContact O-CZ 3.46Å; P105-F162 HydrophobicContact CB-CD2 3.86Å; P105-F162 HydrophobicContact CB-CE1 4.37Å; P105-F162 HydrophobicContact CB-CE2 3.65Å; P105-F162 HydrophobicContact CB-CG 4.35Å; P105-F162 HydrophobicContact CB-CZ 3.92Å; P105-F162 HydrophobicContact CG-CD1 3.82Å; P105-F162 HydrophobicContact CG-CD2 3.98Å; P105-F162 HydrophobicContact CG-CE1 3.71Å; P105-F162 HydrophobicContact CG-CE2 3.9Å; P105-F162 HydrophobicContact CG-CG 3.97Å; P105-F162 HydrophobicContact CG-CZ 3.76Å; P159-F162 HydrophobicContact CG-CD2 3.82Å; P159-F162 HydrophobicContact CG-CE2 4.36Å; P159-F162 PolarHBondContact O-N 2.89Å; P159-F162 VanDerWaalsContact O-N 3.11Å; S160-F162 PolarHBondContact O-N 3.27Å; F162-P164 VanDerWaalsContact C-CD 3.45Å; F162-L165 WeakPolarHBondContact O-CB 3.2Å; F162-L165 PolarHBondContact O-N 2.84Å; F162-L165 VanDerWaalsContact O-N 3.1Å; F162-I166 HydrophobicContact CB-CD1 4.4Å; F162-I166 WeakPolarHBondContact O-CG1 3.34Å; F162-I166 PolarHBondContact O-N 2.8Å; F162-F172 HydrophobicContact CD1-CB 4.5Å
163W93Very high93Very high107 Ų10746.8 Ų46.841%0.40524%0.235SC..Hα-helixtrans-59.7-36.2-179.3-61.1-6.4000114.5L158 P159 S160 L165 I166 S167L158-W163 PolarHBondContact O-NE1 2.89Å; L158-W163 VanDerWaalsContact O-NE1 3.16Å; P159-W163 VanDerWaalsContact O-CD1 3.29Å; P159-W163 PolarHBondContact O-NE1 2.83Å; S160-W163 VanDerWaalsContact CA-CE2 3.47Å; S160-W163 WeakPolarHBondContact O-CB 3.45Å; S160-W163 PolarHBondContact O-N 3.05Å; S160-W163 VanDerWaalsContact O-N 3.07Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.11Å; W163-I166 PolarHBondContact O-N 3.01Å; W163-S167 WeakPolarHBondContact O-CB 3.39Å; W163-S167 PolarHBondContact O-N 2.79Å; W163-S167 PolarHBondContact O-OG 2.93Å
164P90.9Very high93.2Very high72 Ų7246.7 Ų46.747%0.46824%0.235SC..Hα-helixtrans-62-38.2174.1-24.135.2000112.8F162 S167 Q168F162-P164 VanDerWaalsContact C-CD 3.45Å; P164-S167 PolarHBondContact O-N 2.89Å; P164-Q168 WeakPolarHBondContact O-CG 3.46Å; P164-Q168 PolarHBondContact O-N 3.03Å; P164-Q168 PolarHBondContact O-NE2 3.1Å
165L89.6Confident93.2Very high22 Ų2247.1 Ų47.112%0.11524%0.237CC..Hα-helixtrans-67.7-44.9178.6-171.1148.3000110.4A77 P105 F162 W163 S167 Q168 K169 F170 F172A77-L165 HydrophobicContact CB-CD1 3.73Å; P105-L165 HydrophobicContact CG-CD1 4.42Å; F162-L165 WeakPolarHBondContact O-CB 3.2Å; F162-L165 PolarHBondContact O-N 2.84Å; F162-L165 VanDerWaalsContact O-N 3.1Å; W163-L165 VanDerWaalsContact C-N 3.3Å; W163-L165 PolarHBondContact O-N 3.11Å; L165-S167 PolarHBondContact O-N 2.79Å; L165-Q168 CarbonylContact O-C 3.56Å; L165-Q168 PolarHBondContact O-N 3.22Å; L165-K169 PolarHBondContact O-N 3.15Å; L165-F170 HydrophobicContact CD2-CB 3.78Å; L165-F170 WeakPolarHBondContact CD2-O 3.32Å; L165-F170 HydrophobicContact CG-CB 3.67Å; L165-F170 PolarHBondContact O-N 2.9Å; L165-F172 HydrophobicContact CD2-CB 4.16Å; L165-F172 HydrophobicContact CD2-CD1 3.96Å
166I91.5Very high93.3Very high0 Ų045.7 Ų45.70%023%0.229CC..Hα-helixtrans-61.8-43.6174.6-64.7163.4000111.5P53 L58 L158 F162 W163 Q168 K169 F172P53-I166 HydrophobicContact CB-CG2 4Å; P53-I166 HydrophobicContact CG-CB 4.49Å; P53-I166 HydrophobicContact CG-CG1 4.48Å; P53-I166 HydrophobicContact CG-CG2 4.41Å; L58-I166 HydrophobicContact CB-CG2 3.92Å; L158-I166 HydrophobicContact CB-CD1 4.16Å; L158-I166 HydrophobicContact CD1-CD1 3.55Å; L158-I166 HydrophobicContact CG-CD1 4.42Å; F162-I166 HydrophobicContact CB-CD1 4.4Å; F162-I166 WeakPolarHBondContact O-CG1 3.34Å; F162-I166 PolarHBondContact O-N 2.8Å; W163-I166 PolarHBondContact O-N 3.01Å; I166-Q168 PolarHBondContact O-N 2.68Å; I166-K169 WeakPolarHBondContact O-CA 3.48Å; I166-K169 PolarHBondContact O-N 3.23Å; I166-F172 HydrophobicContact CG1-CE1 4.06Å
167S91.4Very high93.4Very high66 Ų6649.1 Ų49.146%0.46225%0.245SC..Hα-helixtrans-62.4-30.2179-60.30000112.3W163 P164 L165 K169W163-S167 WeakPolarHBondContact O-CB 3.39Å; W163-S167 PolarHBondContact O-N 2.79Å; W163-S167 PolarHBondContact O-OG 2.93Å; P164-S167 PolarHBondContact O-N 2.89Å; L165-S167 PolarHBondContact O-N 2.79Å; S167-K169 VanDerWaalsContact C-N 3.3Å
168Q89.6Confident93.5Very high105 Ų10541.8 Ų41.849%0.49122%0.217SC..THydrogen-bonded Turntrans-87.21.4175.4-69.3170.242.200113P164 L165 I166 F170P164-Q168 WeakPolarHBondContact O-CG 3.46Å; P164-Q168 PolarHBondContact O-N 3.03Å; P164-Q168 PolarHBondContact O-NE2 3.1Å; L165-Q168 CarbonylContact O-C 3.56Å; L165-Q168 PolarHBondContact O-N 3.22Å; I166-Q168 PolarHBondContact O-N 2.68Å; Q168-F170 HydrophobicContact CB-CD2 3.45Å; Q168-F170 VanDerWaalsContact CB-CD2 3.45Å; Q168-F170 HydrophobicContact CB-CE2 3.74Å; Q168-F170 HydrophobicContact CB-CG 4.47Å; Q168-F170 HydrophobicContact CG-CD2 4.46Å; Q168-F170 HydrophobicContact CG-CE2 4.46Å; Q168-F170 PolarHBondContact O-N 3.16Å; Q168-F170 VanDerWaalsContact OE1-CE2 3.25Å
169K90.3Very high93.7Very high112 Ų11241.9 Ų41.949%0.48722%0.218SC..THydrogen-bonded Turntrans57.131-176.6-53.4-167.8-173.3-164.60114.1I54 L165 I166 S167I54-K169 WeakPolarHBondContact O-CE 3.32Å; I54-K169 PolarHBondContact O-NZ 3.47Å; L165-K169 PolarHBondContact O-N 3.15Å; I166-K169 WeakPolarHBondContact O-CA 3.48Å; I166-K169 PolarHBondContact O-N 3.23Å; S167-K169 VanDerWaalsContact C-N 3.3Å
170F90.7Very high93.8Very high64 Ų6440.3 Ų40.328%0.28121%0.209SC..  trans-80.1149.3174.5-81.9-59.6000110.9P53 L165 Q168P53-F170 WeakPolarHBondContact CD-O 3.45Å; P53-F170 VanDerWaalsContact CG-O 3.27Å; P53-F170 WeakPolarHBondContact CG-O 3.35Å; L165-F170 HydrophobicContact CD2-CB 3.78Å; L165-F170 WeakPolarHBondContact CD2-O 3.32Å; L165-F170 HydrophobicContact CG-CB 3.67Å; L165-F170 PolarHBondContact O-N 2.9Å; Q168-F170 HydrophobicContact CB-CD2 3.45Å; Q168-F170 VanDerWaalsContact CB-CD2 3.45Å; Q168-F170 HydrophobicContact CB-CE2 3.74Å; Q168-F170 HydrophobicContact CB-CG 4.47Å; Q168-F170 HydrophobicContact CG-CD2 4.46Å; Q168-F170 HydrophobicContact CG-CE2 4.46Å; Q168-F170 PolarHBondContact O-N 3.16Å; Q168-F170 VanDerWaalsContact OE1-CE2 3.25Å
171P92.6Very high93.8Very high1 Ų142 Ų421%0.00621%0.212CC..  trans-76.5154.8179.629.9-31.9000112.4I51 W52 A78 V548I51-P171 VanDerWaalsContact O-CA 3.23Å; I51-P171 WeakPolarHBondContact O-CA 3.46Å; W52-P171 HydrophobicContact CD2-CB 3.82Å; W52-P171 HydrophobicContact CD2-CG 4.26Å; W52-P171 HydrophobicContact CE3-CB 4.26Å; W52-P171 HydrophobicContact CE3-CG 4.37Å; W52-P171 HydrophobicContact CG-CB 4.19Å; W52-P171 HydrophobicContact CH2-CB 4.46Å; W52-P171 HydrophobicContact CH2-CG 3.85Å; W52-P171 HydrophobicContact CZ2-CB 4.04Å; W52-P171 HydrophobicContact CZ2-CG 3.71Å; W52-P171 HydrophobicContact CZ3-CG 4.17Å; A78-P171 HydrophobicContact CB-CB 4.2Å; A78-P171 HydrophobicContact CB-CG 4.11Å; A78-P171 WeakPolarHBondContact CB-O 3.14Å; A78-P171 PolarHBondContact N-O 3.27Å; P171-V548 HydrophobicContact CB-CG1 4.05Å; P171-V548 HydrophobicContact CG-CG1 3.81Å
172F94Very high93.7Very high1 Ų142.7 Ų42.70%0.00421%0.21CC..EExtended strand (participates in β ladder)trans-140.6163.4173.355.3-93.3000110.2I51 P53 L58 I61 L75 E76 L158 F162 L165 I166 I174I51-F172 HydrophobicContact CB-CD2 4.14Å; I51-F172 HydrophobicContact CB-CE2 3.71Å; I51-F172 HydrophobicContact CB-CZ 3.93Å; I51-F172 HydrophobicContact CG1-CE2 4.26Å; I51-F172 HydrophobicContact CG2-CE1 4.21Å; I51-F172 HydrophobicContact CG2-CE2 3.87Å; I51-F172 HydrophobicContact CG2-CZ 3.6Å; I51-F172 PolarHBondContact N-O 3.37Å; I51-F172 PolarHBondContact O-N 2.88Å; P53-F172 HydrophobicContact CB-CE1 4.43Å; P53-F172 HydrophobicContact CG-CD1 4.33Å; P53-F172 HydrophobicContact CG-CE1 3.84Å; L58-F172 HydrophobicContact CD2-CE1 4.39Å; L58-F172 HydrophobicContact CD2-CZ 4.06Å; I61-F172 HydrophobicContact CD1-CE2 3.6Å; I61-F172 HydrophobicContact CD1-CZ 3.59Å; L75-F172 HydrophobicContact CD1-CD2 3.53Å; L75-F172 HydrophobicContact CD1-CE2 4.07Å; L75-F172 HydrophobicContact CD1-CG 4.33Å; E76-F172 WeakPolarHBondContact O-CA 3.35Å; E76-F172 WeakPolarHBondContact O-CB 3.36Å; L158-F172 HydrophobicContact CD1-CZ 4.1Å; L158-F172 HydrophobicContact CD2-CE2 4.14Å; L158-F172 HydrophobicContact CD2-CZ 4.34Å; F162-F172 HydrophobicContact CD1-CB 4.5Å; L165-F172 HydrophobicContact CD2-CB 4.16Å; L165-F172 HydrophobicContact CD2-CD1 3.96Å; I166-F172 HydrophobicContact CG1-CE1 4.06Å; F172-I174 HydrophobicContact CD2-CG1 4.23Å; F172-I174 HydrophobicContact CE2-CD1 4.1Å; F172-I174 HydrophobicContact CE2-CG1 4.16Å
173I95.8Very high93.5Very high34 Ų3443.1 Ų43.117%0.17421%0.214CC..EExtended strand (participates in β ladder)trans-113.7130.6-175.8-54.8178.5000109Q48 L49 V50 E76 A78Q48-I173 HydrophobicContact CB-CG2 4.09Å; L49-I173 WeakPolarHBondContact O-CA 3.33Å; V50-I173 HydrophobicContact CG2-CG1 4.41Å; E76-I173 PolarHBondContact N-O 3.35Å; E76-I173 PolarHBondContact O-N 3.07Å; A78-I173 HydrophobicContact CB-CD1 4.21Å; A78-I173 HydrophobicContact CB-CG1 3.91Å
174I97.1Very high93Very high0 Ų042.1 Ų42.10%021%0.212CC..EExtended strand (participates in β ladder)trans-107.4116.2168.7-59.7174.3000107.9Q48 L49 I51 I61 I63 I73 L75 V156 F172 I176Q48-I174 CarbonylContact C-O 3.46Å; Q48-I174 WeakPolarHBondContact CA-O 3.41Å; L49-I174 PolarHBondContact N-O 3.49Å; L49-I174 PolarHBondContact O-N 3.15Å; I51-I174 HydrophobicContact CG1-CD1 4.23Å; I61-I174 HydrophobicContact CD1-CD1 3.73Å; I61-I174 HydrophobicContact CG2-CD1 4.33Å; I63-I174 HydrophobicContact CD1-CD1 4.47Å; I63-I174 HydrophobicContact CD1-CG2 4.25Å; I73-I174 HydrophobicContact CG2-CG2 4.09Å; L75-I174 HydrophobicContact CD1-CG1 3.78Å; V156-I174 HydrophobicContact CG1-CD1 4.25Å; F172-I174 HydrophobicContact CD2-CG1 4.23Å; F172-I174 HydrophobicContact CE2-CD1 4.1Å; F172-I174 HydrophobicContact CE2-CG1 4.16Å; I174-I176 HydrophobicContact CG2-CD1 4.17Å; I174-I176 HydrophobicContact CG2-CG1 3.89Å
175T98Very high92.8Very high9 Ų938.9 Ų38.96%0.05519%0.191CC..EExtended strand (participates in β ladder)trans-101.1126.9173.4-59.10000109.4F46 T47 Q48 I73 L74F46-T175 HydrophobicContact CD2-CG2 4.16Å; T47-T175 CarbonylContact O-C 3.42Å; T47-T175 WeakPolarHBondContact O-CA 3.46Å; Q48-T175 HydrophobicContact CG-CG2 4.06Å; Q48-T175 PolarHBondContact NE2-OG1 3.32Å; I73-T175 CarbonylContact C-O 3.47Å; I73-T175 WeakPolarHBondContact CA-O 3.3Å; L74-T175 PolarHBondContact N-O 2.64Å; L74-T175 PolarHBondContact O-N 2.84Å
176I98.2Very high92.7Very high0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-123.2115.9178.8-54.5-178.4000109.1F46 T47 I63 I70 R72 I73 I174 P219F46-I176 CarbonylContact C-O 3.6Å; F46-I176 WeakPolarHBondContact CA-O 3.23Å; F46-I176 WeakPolarHBondContact CB-O 3.37Å; T47-I176 HydrophobicContact CG2-CB 3.93Å; T47-I176 PolarHBondContact N-O 3.03Å; T47-I176 PolarHBondContact O-N 3.35Å; I63-I176 HydrophobicContact CD1-CD1 3.43Å; I63-I176 VanDerWaalsContact CD1-CD1 3.43Å; I63-I176 HydrophobicContact CG2-CD1 4.15Å; I70-I176 HydrophobicContact CG1-CG2 4.4Å; I70-I176 HydrophobicContact CG2-CG2 3.85Å; R72-I176 WeakPolarHBondContact O-CA 3.12Å; I73-I176 HydrophobicContact CG1-CG1 4.38Å; I73-I176 HydrophobicContact CG1-CG2 4.41Å; I73-I176 HydrophobicContact CG2-CG1 4.44Å; I174-I176 HydrophobicContact CG2-CD1 4.17Å; I174-I176 HydrophobicContact CG2-CG1 3.89Å; I176-P219 HydrophobicContact CB-CG 4.37Å; I176-P219 HydrophobicContact CD1-CB 4.1Å; I176-P219 HydrophobicContact CG2-CB 4.26Å; I176-P219 HydrophobicContact CG2-CG 3.81Å
177E98.4Very high92.7Very high72 Ų7238 Ų3834%0.33619%0.187SC..EExtended strand (participates in β ladder)trans-88.4130172.2-64.3174.9-161.800109.5F46 H71 R72F46-E177 HydrophobicContact CB-CG 4.02Å; H71-E177 HydrophobicContact CB-CB 4.29Å; H71-E177 PolarHBondContact N-O 2.99Å; R72-E177 HydrophobicContact CB-CB 4.09Å; R72-E177 HydrophobicContact CB-CG 4.23Å; R72-E177 IonicContact NH1-OE1 3.55Å; R72-E177 PolarHBondContact O-N 3.44Å
178F98.1Very high92.6Very high1 Ų135.6 Ų35.60%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-142.9160.8-175.170.3-86.9000112.8L31 I33 G45 T47 C68 R69 W217 F218 P219L31-F178 HydrophobicContact CD1-CE1 4.25Å; L31-F178 HydrophobicContact CD1-CZ 4.06Å; I33-F178 HydrophobicContact CD1-CZ 4.06Å; G45-F178 PolarHBondContact N-O 2.97Å; G45-F178 VanDerWaalsContact N-O 3.08Å; G45-F178 PolarHBondContact O-N 3.22Å; T47-F178 HydrophobicContact CG2-CE1 4.48Å; C68-F178 HydrophobicContact CB-CB 4.37Å; C68-F178 HydrophobicContact CB-CD2 4.35Å; R69-F178 CarbonylContact O-C 3.59Å; R69-F178 VanDerWaalsContact O-CA 3.27Å; R69-F178 WeakPolarHBondContact O-CA 3.43Å; F178-W217 WeakPolarHBondContact CE2-O 3.28Å; F178-F218 HydrophobicContact CE1-CB 4.12Å; F178-F218 HydrophobicContact CE2-CB 4.02Å; F178-F218 HydrophobicContact CZ-CB 3.55Å; F178-P219 HydrophobicContact CB-CG 4.18Å; F178-P219 HydrophobicContact CD1-CG 3.8Å; F178-P219 HydrophobicContact CE1-CG 4.41Å; F178-P219 HydrophobicContact CG-CG 4.02Å
179S97.9Very high92.7Very high12 Ų1230.9 Ų30.98%0.08415%0.146CC..EExtended strand (participates in β ladder)trans-136.2138.2166.362.90000111.1V43 C68 R69 H71V43-S179 CarbonylContact O-C 3.53Å; V43-S179 WeakPolarHBondContact O-CA 3.49Å; C68-S179 WeakPolarHBondContact CA-O 3.45Å; R69-S179 PolarHBondContact N-O 3.05Å; R69-S179 PolarHBondContact O-N 3.34Å; H71-S179 WeakPolarHBondContact NE2-CB 3.39Å; H71-S179 PolarHBondContact NE2-OG 2.87Å
180L95.4Very high92.8Very high1 Ų125.9 Ų25.91%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-108.1113.3174.2-178.368.7000108.8L42 V43 Q67 P183 F187 W217L42-L180 CarbonylContact C-O 3.51Å; L42-L180 WeakPolarHBondContact CA-O 3.37Å; V43-L180 HydrophobicContact CB-CB 4.23Å; V43-L180 PolarHBondContact N-O 2.89Å; V43-L180 PolarHBondContact O-N 3.07Å; Q67-L180 HydrophobicContact CB-CD1 4.07Å; L180-P183 HydrophobicContact CD1-CB 4.05Å; L180-P183 HydrophobicContact CD2-CB 3.79Å; L180-P183 HydrophobicContact CD2-CG 4Å; L180-P183 HydrophobicContact CG-CB 3.88Å; L180-P183 HydrophobicContact CG-CG 4.18Å; L180-F187 HydrophobicContact CD2-CB 3.78Å; L180-F187 HydrophobicContact CD2-CG 4.31Å; L180-W217 HydrophobicContact CD2-CB 3.84Å
181N93Very high92.7Very high97 Ų9723.5 Ų23.552%0.51912%0.116SC..EExtended strand (participates in β ladder)trans-112.2124.2-176.4-175.6-2.7000109.9L42L42-N181 HydrophobicContact CD1-CB 3.92Å
182K89.8Confident92.3Very high119 Ų11926 Ų2652%0.51713%0.132SC..SBendtrans4659.8179.2-67.7172.9-174.2-174.70112R41 K184R41-K182 HydrophobicContact CB-CG 4.25Å; R41-K182 PolarHBondContact O-N 2.88Å; K182-K184 PolarHBondContact O-N 3.47Å
183P89.1Confident91.7Very high11 Ų1132.9 Ų32.97%0.07117%0.169CC..  trans-56.5135-178.323.5-33.5000111.4L180 F187 F189L180-P183 HydrophobicContact CD1-CB 4.05Å; L180-P183 HydrophobicContact CD2-CB 3.79Å; L180-P183 HydrophobicContact CD2-CG 4Å; L180-P183 HydrophobicContact CG-CB 3.88Å; L180-P183 HydrophobicContact CG-CG 4.18Å; P183-F187 HydrophobicContact CB-CB 4.28Å; P183-F187 WeakPolarHBondContact CB-O 3.5Å; P183-F187 HydrophobicContact CG-CB 4.13Å; P183-F187 HydrophobicContact CG-CD1 4.39Å; P183-F187 WeakPolarHBondContact CG-O 3.39Å; P183-F189 HydrophobicContact CG-CD2 3.94Å; P183-F189 HydrophobicContact CG-CE2 3.78Å
184K82.6Confident90.8Very high86 Ų8633.6 Ų33.637%0.37419%0.185SC..SBendtrans-87.1-21175.5-58.3-173.8176.4-1720112.5K182 E988K182-K184 PolarHBondContact O-N 3.47Å; K184-E988 IonicContact NZ-OE1 2.91Å
185S85.8Confident89.8Confident4 Ų443.2 Ų43.23%0.02823%0.229CC..SBendtrans-159168.5-176.9-177.90000109.7Q67 F187 Y188 L216 G1040Q67-S185 PolarHBondContact OE1-O 3.44Å; S185-F187 PolarHBondContact O-N 3.29Å; S185-Y188 WeakPolarHBondContact CA-OH 3.31Å; S185-Y188 PolarHBondContact OG-OH 2.78Å; S185-L216 WeakPolarHBondContact OG-CD1 3.45Å; S185-G1040 VanDerWaalsContact CB-C 3.46Å; S185-G1040 WeakPolarHBondContact CB-O 3.41Å; S185-G1040 PolarHBondContact OG-O 3.23Å
186G87.8Confident89.1Confident3 Ų345 Ų453%0.03125%0.25CS..SBendtrans78.4-45178.600000114.3T207 A208G186-T207 CarbonylContact O-C 3.53Å; G186-T207 VanDerWaalsContact O-CA 3.22Å; G186-T207 WeakPolarHBondContact O-CA 3.46Å; G186-A208 PolarHBondContact O-N 3.13Å
187F90.8Very high88.5Confident1 Ų147.1 Ų47.10%0.00427%0.265CS..EExtended strand (participates in β ladder)trans-129.9126.2176.8-160.7-88.5000110.2V43 L180 P183 S185 F189 A205 T207 W217 L277V43-F187 HydrophobicContact CG2-CD1 4.08Å; V43-F187 HydrophobicContact CG2-CE1 3.72Å; V43-F187 HydrophobicContact CG2-CZ 4.07Å; L180-F187 HydrophobicContact CD2-CB 3.78Å; L180-F187 HydrophobicContact CD2-CG 4.31Å; P183-F187 HydrophobicContact CB-CB 4.28Å; P183-F187 WeakPolarHBondContact CB-O 3.5Å; P183-F187 HydrophobicContact CG-CB 4.13Å; P183-F187 HydrophobicContact CG-CD1 4.39Å; P183-F187 WeakPolarHBondContact CG-O 3.39Å; S185-F187 PolarHBondContact O-N 3.29Å; F187-F189 HydrophobicContact CD1-CD2 4.03Å; F187-F189 AromaticContact CD1-CE2 3.59Å; F187-F189 HydrophobicContact CD1-CE2 3.59Å; F187-F189 HydrophobicContact CD1-CZ 4.02Å; F187-F189 HydrophobicContact CE1-CD2 4.28Å; F187-F189 HydrophobicContact CE1-CE1 4.14Å; F187-F189 AromaticContact CE1-CE2 3.75Å; F187-F189 HydrophobicContact CE1-CE2 3.75Å; F187-F189 AromaticContact CE1-CZ 3.68Å; F187-F189 HydrophobicContact CE1-CZ 3.68Å; F187-A205 HydrophobicContact CE1-CB 3.62Å; F187-A205 HydrophobicContact CZ-CB 3.96Å; F187-T207 HydrophobicContact CD2-CG2 3.67Å; F187-T207 HydrophobicContact CE2-CG2 4.05Å; F187-W217 HydrophobicContact CB-CB 3.94Å; F187-W217 HydrophobicContact CD2-CB 4.4Å; F187-W217 HydrophobicContact CD2-CD2 4.11Å; F187-W217 AromaticContact CD2-CE3 3.4Å; F187-W217 HydrophobicContact CD2-CE3 3.4Å; F187-W217 VanDerWaalsContact CD2-CE3 3.4Å; F187-W217 HydrophobicContact CD2-CZ3 4.04Å; F187-W217 AromaticContact CE2-CE3 3.71Å; F187-W217 HydrophobicContact CE2-CE3 3.71Å; F187-W217 AromaticContact CE2-CZ3 3.9Å; F187-W217 HydrophobicContact CE2-CZ3 3.9Å; F187-L277 HydrophobicContact CE2-CD2 4.18Å
188Y90.3Very high87.8Confident14 Ų1445.2 Ų45.26%0.05526%0.257CS..EExtended strand (participates in β ladder)trans-119.2132.5-173.5-62.2-82.9000110.4S185 A205 F206 A208 F342 F996S185-Y188 WeakPolarHBondContact CA-OH 3.31Å; S185-Y188 PolarHBondContact OG-OH 2.78Å; Y188-A205 CarbonylContact O-C 3.59Å; Y188-A205 WeakPolarHBondContact O-CA 3.37Å; Y188-A205 WeakPolarHBondContact O-CB 3.49Å; Y188-F206 HydrophobicContact CD2-CE2 4.08Å; Y188-F206 HydrophobicContact CD2-CZ 4.48Å; Y188-F206 HydrophobicContact CG-CE2 4.46Å; Y188-F206 HydrophobicContact CG-CZ 4.42Å; Y188-F206 PolarHBondContact N-O 3.09Å; Y188-F206 PolarHBondContact O-N 3.25Å; Y188-A208 HydrophobicContact CD2-CB 3.94Å; Y188-A208 HydrophobicContact CE2-CB 3.38Å; Y188-F342 HydrophobicContact CD1-CE2 4.01Å; Y188-F342 HydrophobicContact CD2-CE2 4.44Å; Y188-F342 AromaticContact CE1-CE2 3.38Å; Y188-F342 HydrophobicContact CE1-CE2 3.38Å; Y188-F342 AromaticContact CE1-CZ 3.75Å; Y188-F342 HydrophobicContact CE1-CZ 3.75Å; Y188-F342 HydrophobicContact CE2-CD2 4.41Å; Y188-F342 AromaticContact CE2-CE2 3.9Å; Y188-F342 HydrophobicContact CE2-CE2 3.9Å; Y188-F342 HydrophobicContact CG-CE2 4.48Å; Y188-F342 AromaticContact CZ-CE2 3.28Å; Y188-F342 AromaticContact CZ-CZ 3.8Å; Y188-F342 WeakPolarHBondContact OH-CE2 3.5Å; Y188-F996 AromaticContact CD1-CD2 3.86Å; Y188-F996 HydrophobicContact CD1-CD2 3.86Å; Y188-F996 HydrophobicContact CD1-CE2 4.19Å; Y188-F996 HydrophobicContact CD1-CG 4.35Å; Y188-F996 HydrophobicContact CE1-CB 4.21Å; Y188-F996 HydrophobicContact CE1-CD2 4.05Å; Y188-F996 HydrophobicContact CE1-CG 4.08Å
189F91.9Very high87.1Confident6 Ų646.6 Ų46.63%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-102.2124.6172.6-72.1-93.6000109.2I36 F38 R41 V43 P183 F187 V191 A205 A993I36-F189 HydrophobicContact CG2-CE1 3.85Å; I36-F189 HydrophobicContact CG2-CZ 4.34Å; F38-F189 AromaticContact CD1-CD1 3.83Å; F38-F189 HydrophobicContact CD1-CD1 3.83Å; F38-F189 HydrophobicContact CD1-CE1 4.35Å; F38-F189 HydrophobicContact CE1-CD1 4.11Å; F38-F189 HydrophobicContact CG-CD1 4.45Å; R41-F189 HydrophobicContact CB-CB 4.47Å; R41-F189 HydrophobicContact CB-CD1 4.39Å; R41-F189 HydrophobicContact CB-CD2 3.75Å; R41-F189 HydrophobicContact CB-CE2 3.96Å; R41-F189 HydrophobicContact CB-CG 3.97Å; R41-F189 HydrophobicContact CB-CZ 4.36Å; R41-F189 HydrophobicContact CG-CB 4.07Å; R41-F189 HydrophobicContact CG-CD1 4.41Å; R41-F189 HydrophobicContact CG-CD2 4.28Å; R41-F189 HydrophobicContact CG-CG 4.02Å; V43-F189 HydrophobicContact CG2-CE2 4.22Å; V43-F189 HydrophobicContact CG2-CZ 3.67Å; P183-F189 HydrophobicContact CG-CD2 3.94Å; P183-F189 HydrophobicContact CG-CE2 3.78Å; F187-F189 HydrophobicContact CD1-CD2 4.03Å; F187-F189 AromaticContact CD1-CE2 3.59Å; F187-F189 HydrophobicContact CD1-CE2 3.59Å; F187-F189 HydrophobicContact CD1-CZ 4.02Å; F187-F189 HydrophobicContact CE1-CD2 4.28Å; F187-F189 HydrophobicContact CE1-CE1 4.14Å; F187-F189 AromaticContact CE1-CE2 3.75Å; F187-F189 HydrophobicContact CE1-CE2 3.75Å; F187-F189 AromaticContact CE1-CZ 3.68Å; F187-F189 HydrophobicContact CE1-CZ 3.68Å; F189-V191 HydrophobicContact CB-CG2 4.32Å; F189-A205 HydrophobicContact CD1-CB 3.9Å; F189-A205 HydrophobicContact CE1-CB 4.23Å; F189-A205 HydrophobicContact CG-CB 4.33Å; F189-A993 VanDerWaalsContact O-CB 3.28Å; F189-A993 WeakPolarHBondContact O-CB 3.46Å
190V90.9Very high86.4Confident7 Ų753 Ų534%0.04230%0.295CS..EExtended strand (participates in β ladder)trans-107.4106.6170.3-174.30000107.7V203 H204 F206 D339 C340 A993V190-V203 WeakPolarHBondContact O-CA 3.46Å; V190-H204 CarbonylContact C-O 3.42Å; V190-H204 WeakPolarHBondContact CA-O 3.27Å; V190-H204 WeakPolarHBondContact CB-O 3.37Å; V190-H204 VanDerWaalsContact CG1-CE1 3.46Å; V190-H204 WeakPolarHBondContact CG1-CE1 3.22Å; V190-H204 PolarHBondContact N-O 2.62Å; V190-H204 PolarHBondContact O-N 3.05Å; V190-H204 VanDerWaalsContact O-O 3.09Å; V190-F206 HydrophobicContact CG2-CD1 4.49Å; V190-F206 HydrophobicContact CG2-CE1 3.84Å; V190-D339 HydrophobicContact CG1-CB 4.27Å; V190-C340 HydrophobicContact CG2-CB 4.42Å; V190-A993 HydrophobicContact CB-CB 4.25Å; V190-A993 HydrophobicContact CG1-CB 4.28Å; V190-A993 HydrophobicContact CG2-CB 3.96Å
191V89.4Confident86Confident15 Ų1554.9 Ų54.99%0.09130%0.302CS..  trans-126.495.8-175.7-179.80000107.6F38 F189 V203F38-V191 HydrophobicContact CB-CG2 4.28Å; F38-V191 HydrophobicContact CD1-CG2 4.01Å; F189-V191 HydrophobicContact CB-CG2 4.32Å; V191-V203 HydrophobicContact CG1-CG1 4.29Å
192P84.4Confident85.7Confident53 Ų5351 Ų5134%0.34429%0.286SS..  trans-63.3142.8178-27.640.2000112R201P192-R201 WeakPolarHBondContact CD-O 3.25Å; P192-R201 WeakPolarHBondContact CG-O 3.37Å; P192-R201 PolarHBondContact O-NE 3.01Å; P192-R201 PolarHBondContact O-NH2 3.47Å
193D80.1Confident85.9Confident146 Ų14645.4 Ų45.478%0.78126%0.261SS*.  trans-70.1132.8173.9-67.2-33.9000109.6
194G77.2Confident86.2Confident49 Ų4945.2 Ų45.251%0.50526%0.259SS..  trans162.2162.2179.900000112.7R201G194-R201 WeakPolarHBondContact O-CD 3.44Å; G194-R201 PolarHBondContact O-NE 3.01Å
195E76.9Confident86.7Confident201 Ų20141.1 Ų41.194%0.93924%0.241SC*.SBendtrans-89.7152.5168.3-62.2-175176.400109.5
196G82.9Confident87.2Confident48 Ų4840.9 Ų40.950%0.49524%0.24SC..SBendtrans127-178.5-179.400000113.1E200G196-E200 WeakPolarHBondContact CA-OE2 3.47Å
197S85Confident87.4Confident44 Ų4440.9 Ų40.931%0.30824%0.239SC..  trans-66.8162.4174.381.40000111.4S199 E200 R201S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 2.84Å; S197-S199 PolarHBondContact OG-N 2.77Å; S197-S199 PolarHBondContact OG-OG 3Å; S197-S199 VanDerWaalsContact OG-OG 3.04Å; S197-E200 PolarHBondContact N-OE2 2.91Å; S197-E200 PolarHBondContact O-N 2.84Å; S197-E200 WeakPolarHBondContact OG-CG 3.43Å; S197-E200 PolarHBondContact OG-N 2.97Å; S197-E200 VanDerWaalsContact OG-N 3.09Å; S197-R201 WeakPolarHBondContact O-CG 3.47Å; S197-R201 PolarHBondContact O-N 3.3Å; S197-R201 VanDerWaalsContact O-N 3.12Å
198L83.8Confident87.1Confident31 Ų3141.4 Ų41.416%0.16224%0.244CC..THydrogen-bonded Turntrans-58.9-39.7173.8-69.7178.2000111.3F38 R201 G202 V203 F236F38-L198 HydrophobicContact CB-CD2 4.25Å; L198-R201 PolarHBondContact O-N 2.95Å; L198-G202 PolarHBondContact O-N 2.8Å; L198-V203 HydrophobicContact CB-CG2 3.82Å; L198-V203 HydrophobicContact CD2-CG1 4.05Å; L198-V203 HydrophobicContact CD2-CG2 4.36Å; L198-V203 WeakPolarHBondContact O-CG2 3.48Å; L198-V203 PolarHBondContact O-N 2.85Å; L198-F236 HydrophobicContact CD1-CD2 3.95Å; L198-F236 HydrophobicContact CD1-CE2 4.02Å
199S83.4Confident86.1Confident30 Ų3043.7 Ų43.721%0.2125%0.254CS..THydrogen-bonded Turntrans-65.4-41.6176.376.10000114S197 R201 G202 D238 N300S197-S199 VanDerWaalsContact C-N 3.26Å; S197-S199 PolarHBondContact O-N 2.84Å; S197-S199 PolarHBondContact OG-N 2.77Å; S197-S199 PolarHBondContact OG-OG 3Å; S197-S199 VanDerWaalsContact OG-OG 3.04Å; S199-R201 VanDerWaalsContact C-N 3.26Å; S199-R201 PolarHBondContact O-N 2.85Å; S199-G202 PolarHBondContact O-N 3.13Å; S199-D238 VanDerWaalsContact CB-OD2 3.27Å; S199-D238 WeakPolarHBondContact CB-OD2 3.26Å; S199-D238 PolarHBondContact N-OD2 3.08Å; S199-N300 PolarHBondContact O-ND2 2.94Å
200E84.6Confident85.1Confident146 Ų14645.4 Ų45.468%0.68227%0.265SS*.THydrogen-bonded Turntrans-63.3-37.5179.9-74.416917300111.1G196 S197 G202G196-E200 WeakPolarHBondContact CA-OE2 3.47Å; S197-E200 PolarHBondContact N-OE2 2.91Å; S197-E200 PolarHBondContact O-N 2.84Å; S197-E200 WeakPolarHBondContact OG-CG 3.43Å; S197-E200 PolarHBondContact OG-N 2.97Å; S197-E200 VanDerWaalsContact OG-N 3.09Å; E200-G202 PolarHBondContact O-N 2.94Å
201R86.5Confident84.3Confident41 Ų4145.7 Ų45.716%0.15527%0.267CS..THydrogen-bonded Turntrans-72.4-7.4175.1-68.7168.561.4-162.93.3113.4E39 P192 G194 S197 L198 S199 V203E39-R201 IonicContact OE1-CZ 3.27Å; E39-R201 IonicContact OE1-NH1 2.7Å; E39-R201 PolarHBondContact OE1-NH1 3.47Å; E39-R201 IonicContact OE1-NH2 3.84Å; P192-R201 WeakPolarHBondContact CD-O 3.25Å; P192-R201 WeakPolarHBondContact CG-O 3.37Å; P192-R201 PolarHBondContact O-NE 3.01Å; P192-R201 PolarHBondContact O-NH2 3.47Å; G194-R201 WeakPolarHBondContact O-CD 3.44Å; G194-R201 PolarHBondContact O-NE 3.01Å; S197-R201 WeakPolarHBondContact O-CG 3.47Å; S197-R201 PolarHBondContact O-N 3.3Å; S197-R201 VanDerWaalsContact O-N 3.12Å; L198-R201 PolarHBondContact O-N 2.95Å; S199-R201 VanDerWaalsContact C-N 3.26Å; S199-R201 PolarHBondContact O-N 2.85Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 HydrophobicContact CB-CG1 4.1Å; R201-V203 PolarHBondContact O-N 3.09Å
202G87.5Confident83.9Confident17 Ų1746 Ų4618%0.17527%0.268CS..THydrogen-bonded Turntrans66.732.3179.300000113.6L198 S199 E200 H204L198-G202 PolarHBondContact O-N 2.8Å; S199-G202 PolarHBondContact O-N 3.13Å; E200-G202 PolarHBondContact O-N 2.94Å; G202-H204 PolarHBondContact O-ND1 2.89Å; G202-H204 VanDerWaalsContact O-ND1 3.14Å
203V93.1Very high83.9Confident0 Ų043.8 Ų43.80%025%0.254CS..  trans-63141-177.9-54.60000111F38 V190 V191 L198 R201 L239 G280 A281F38-V203 HydrophobicContact CD1-CB 3.87Å; F38-V203 HydrophobicContact CD1-CG2 3.89Å; F38-V203 HydrophobicContact CD2-CG2 4.23Å; F38-V203 HydrophobicContact CE1-CB 4.15Å; F38-V203 HydrophobicContact CE1-CG2 4.03Å; F38-V203 HydrophobicContact CE2-CG2 4.38Å; F38-V203 HydrophobicContact CG-CB 4.34Å; F38-V203 HydrophobicContact CG-CG2 3.99Å; F38-V203 HydrophobicContact CZ-CG2 4.28Å; V190-V203 WeakPolarHBondContact O-CA 3.46Å; V191-V203 HydrophobicContact CG1-CG1 4.29Å; L198-V203 HydrophobicContact CB-CG2 3.82Å; L198-V203 HydrophobicContact CD2-CG1 4.05Å; L198-V203 HydrophobicContact CD2-CG2 4.36Å; L198-V203 WeakPolarHBondContact O-CG2 3.48Å; L198-V203 PolarHBondContact O-N 2.85Å; R201-V203 VanDerWaalsContact C-N 3.33Å; R201-V203 HydrophobicContact CB-CG1 4.1Å; R201-V203 PolarHBondContact O-N 3.09Å; V203-L239 HydrophobicContact CG2-CD2 4.16Å; V203-G280 CarbonylContact O-C 3.48Å; V203-G280 WeakPolarHBondContact O-CA 3.49Å; V203-A281 PolarHBondContact O-N 2.75Å
204H94.6Very high84.6Confident7 Ų737.2 Ų37.23%0.03222%0.22CC..EExtended strand (participates in β ladder)trans-154.8155.217359.6-79.7000111.3V190 G202 V279 F282 D339V190-H204 CarbonylContact C-O 3.42Å; V190-H204 WeakPolarHBondContact CA-O 3.27Å; V190-H204 WeakPolarHBondContact CB-O 3.37Å; V190-H204 VanDerWaalsContact CG1-CE1 3.46Å; V190-H204 WeakPolarHBondContact CG1-CE1 3.22Å; V190-H204 PolarHBondContact N-O 2.62Å; V190-H204 PolarHBondContact O-N 3.05Å; V190-H204 VanDerWaalsContact O-O 3.09Å; G202-H204 PolarHBondContact O-ND1 2.89Å; G202-H204 VanDerWaalsContact O-ND1 3.14Å; H204-V279 CarbonylContact C-O 3.58Å; H204-V279 WeakPolarHBondContact CA-O 3.27Å; H204-F282 HydrophobicContact CB-CE1 3.89Å; H204-F282 HydrophobicContact CB-CZ 3.73Å; H204-D339 WeakPolarHBondContact NE2-CB 3.39Å; H204-D339 PolarHBondContact NE2-N 3.26Å
205A94.7Very high85.3Confident0 Ų035.2 Ų35.20%020%0.197CC..EExtended strand (participates in β ladder)trans-136.6147.6178.200000109.6F38 F187 Y188 F189 A278 V279F38-A205 HydrophobicContact CE1-CB 3.72Å; F38-A205 HydrophobicContact CZ-CB 4.02Å; F187-A205 HydrophobicContact CE1-CB 3.62Å; F187-A205 HydrophobicContact CZ-CB 3.96Å; Y188-A205 CarbonylContact O-C 3.59Å; Y188-A205 WeakPolarHBondContact O-CA 3.37Å; Y188-A205 WeakPolarHBondContact O-CB 3.49Å; F189-A205 HydrophobicContact CD1-CB 3.9Å; F189-A205 HydrophobicContact CE1-CB 4.23Å; F189-A205 HydrophobicContact CG-CB 4.33Å; A205-A278 CarbonylContact O-C 3.55Å; A205-A278 WeakPolarHBondContact O-CA 3.34Å; A205-V279 PolarHBondContact N-O 3.42Å; A205-V279 PolarHBondContact O-N 2.8Å
206F94.7Very high86.1Confident0 Ų025.8 Ų25.80%015%0.153CC..EExtended strand (participates in β ladder)trans-153.1155.1-176.664.3-86.6000112.8Y188 V190 L277 A278 V338 D339 I353Y188-F206 HydrophobicContact CD2-CE2 4.08Å; Y188-F206 HydrophobicContact CD2-CZ 4.48Å; Y188-F206 HydrophobicContact CG-CE2 4.46Å; Y188-F206 HydrophobicContact CG-CZ 4.42Å; Y188-F206 PolarHBondContact N-O 3.09Å; Y188-F206 PolarHBondContact O-N 3.25Å; V190-F206 HydrophobicContact CG2-CD1 4.49Å; V190-F206 HydrophobicContact CG2-CE1 3.84Å; F206-L277 CarbonylContact C-O 3.59Å; F206-L277 VanDerWaalsContact CA-O 3.28Å; F206-L277 WeakPolarHBondContact CA-O 3.31Å; F206-A278 HydrophobicContact CB-CB 4.34Å; F206-V338 HydrophobicContact CB-CG1 4.05Å; F206-V338 HydrophobicContact CB-CG2 4.46Å; F206-V338 HydrophobicContact CD1-CB 3.68Å; F206-V338 HydrophobicContact CD1-CG1 4.05Å; F206-V338 HydrophobicContact CD1-CG2 3.72Å; F206-V338 HydrophobicContact CD2-CG2 3.85Å; F206-V338 HydrophobicContact CE1-CB 3.97Å; F206-V338 HydrophobicContact CE1-CG2 3.81Å; F206-V338 HydrophobicContact CE2-CG2 3.94Å; F206-V338 HydrophobicContact CG-CB 4.04Å; F206-V338 HydrophobicContact CG-CG1 4.1Å; F206-V338 HydrophobicContact CG-CG2 3.74Å; F206-V338 HydrophobicContact CZ-CG2 3.92Å; F206-D339 WeakPolarHBondContact CE1-O 3.34Å; F206-D339 WeakPolarHBondContact CZ-O 3.49Å; F206-I353 HydrophobicContact CB-CD1 4.32Å; F206-I353 HydrophobicContact CD2-CG2 4.46Å
207T93.4Very high86.5Confident2 Ų224 Ų241%0.01213%0.131CC..EExtended strand (participates in β ladder)trans-84.2141.2172.153.50000111.5G186 F187 W217 G276 L277 Q346G186-T207 CarbonylContact O-C 3.53Å; G186-T207 VanDerWaalsContact O-CA 3.22Å; G186-T207 WeakPolarHBondContact O-CA 3.46Å; F187-T207 HydrophobicContact CD2-CG2 3.67Å; F187-T207 HydrophobicContact CE2-CG2 4.05Å; T207-W217 HydrophobicContact CG2-CD2 3.52Å; T207-W217 VanDerWaalsContact CG2-CE2 3.47Å; T207-W217 HydrophobicContact CG2-CE3 3.52Å; T207-W217 HydrophobicContact CG2-CG 4.32Å; T207-W217 HydrophobicContact CG2-CH2 3.56Å; T207-W217 HydrophobicContact CG2-CZ2 3.53Å; T207-W217 HydrophobicContact CG2-CZ3 3.53Å; T207-G276 WeakPolarHBondContact OG1-CA 3.33Å; T207-L277 HydrophobicContact CG2-CB 4.09Å; T207-L277 PolarHBondContact N-O 2.91Å; T207-L277 PolarHBondContact OG1-N 3.13Å; T207-L277 PolarHBondContact OG1-O 3.26Å; T207-Q346 PolarHBondContact O-OE1 3.22Å
208A83.1Confident87.1Confident13 Ų1321.9 Ų21.911%0.10712%0.117CC..  trans-101.8133.8168.600000113.2G186 Y188 T210G186-A208 PolarHBondContact O-N 3.13Å; Y188-A208 HydrophobicContact CD2-CB 3.94Å; Y188-A208 HydrophobicContact CE2-CB 3.38Å; A208-T210 PolarHBondContact O-N 3.24Å
209F70.6Confident87.7Confident61 Ų6120.4 Ų20.427%0.26811%0.109SC..  trans-82.4108.3175.7-176-93.5000110.2P273 Q346 F348F209-P273 WeakPolarHBondContact CD2-O 3.45Å; F209-P273 WeakPolarHBondContact CE2-O 3.46Å; F209-Q346 HydrophobicContact CB-CB 3.67Å; F209-Q346 HydrophobicContact CB-CG 3.79Å; F209-Q346 VanDerWaalsContact N-CD 3.31Å; F209-F348 HydrophobicContact CB-CE1 4.16Å; F209-F348 HydrophobicContact CB-CE2 4.37Å; F209-F348 HydrophobicContact CB-CZ 3.76Å; F209-F348 HydrophobicContact CD2-CD1 4.32Å; F209-F348 AromaticContact CD2-CE1 3.87Å; F209-F348 HydrophobicContact CD2-CE1 3.87Å; F209-F348 HydrophobicContact CD2-CZ 4.34Å
210T70.7Confident88.3Confident42 Ų4219 Ų1926%0.25810%0.099SC..  trans-125.2138.1158.1-500000106A208 N212 C213A208-T210 PolarHBondContact O-N 3.24Å; T210-N212 PolarHBondContact O-N 3.35Å; T210-C213 VanDerWaalsContact CB-SG 3.55Å; T210-C213 VanDerWaalsContact O-CB 3.27Å; T210-C213 WeakPolarHBondContact O-CB 3.34Å; T210-C213 PolarHBondContact O-N 3.43Å; T210-C213 VanDerWaalsContact O-N 3.14Å
211P74.4Confident88.8Confident13 Ų1312.2 Ų12.28%0.0847%0.067CC..THydrogen-bonded Turntrans-53.1130-176.1-25.632.8000111.5W393 S460 H461P211-W393 HydrophobicContact CB-CE3 4.2Å; P211-W393 HydrophobicContact CB-CZ3 3.72Å; P211-W393 HydrophobicContact CG-CH2 4.24Å; P211-W393 HydrophobicContact CG-CZ3 3.73Å; P211-S460 PolarHBondContact O-OG 3.15Å; P211-H461 PolarHBondContact O-NE2 3.49Å
212N79.3Confident89.2Confident21 Ų2110.3 Ų10.311%0.1126%0.06CC..THydrogen-bonded Turntrans56.247.7-177.3-55.8-10000113.3T210 D222 H461T210-N212 PolarHBondContact O-N 3.35Å; N212-D222 VanDerWaalsContact C-CG 3.48Å; N212-D222 WeakPolarHBondContact CA-OD1 3.36Å; N212-H461 PolarHBondContact O-CE1 3.04Å; N212-H461 PolarHBondContact O-NE2 3.35Å
213C86.3Confident89.4Confident8 Ų89.5 Ų9.55%0.0545%0.052CC..  trans-121.313.4176.3-67.50000113.4T210 R215 L216 D222T210-C213 VanDerWaalsContact CB-SG 3.55Å; T210-C213 VanDerWaalsContact O-CB 3.27Å; T210-C213 WeakPolarHBondContact O-CB 3.34Å; T210-C213 PolarHBondContact O-N 3.43Å; T210-C213 VanDerWaalsContact O-N 3.14Å; C213-R215 PolarHBondContact O-N 3.16Å; C213-L216 HydrophobicContact CB-CD1 3.8Å; C213-L216 HydrophobicContact CB-CG 4.23Å; C213-L216 WeakPolarHBondContact O-CB 3.49Å; C213-L216 WeakPolarHBondContact O-CG 3.35Å; C213-L216 PolarHBondContact O-N 3.35Å; C213-L216 VanDerWaalsContact O-N 3.13Å; C213-D222 PolarHBondContact N-OD2 3.25Å
214S92.9Very high89.3Confident8 Ų810.1 Ų10.16%0.0566%0.056CC..G310 helixtrans-64.5-25.5173.5-71.10000111.7L216 W217 F218 D222 A272 P273S214-L216 PolarHBondContact O-N 3Å; S214-W217 PolarHBondContact O-N 2.96Å; S214-F218 PolarHBondContact O-N 3.12Å; S214-D222 PolarHBondContact N-OD1 3.22Å; S214-D222 PolarHBondContact N-OD2 2.94Å; S214-A272 VanDerWaalsContact OG-C 3.28Å; S214-A272 PolarHBondContact OG-O 3.39Å; S214-P273 WeakPolarHBondContact OG-CA 3.39Å
215R93.3Very high89.1Confident6 Ų610.1 Ų10.12%0.0236%0.056CC..G310 helixtrans-58.6-18.9172.872.5-178.569.1-161.91.7114.7N64 C65 R66 T145 E153 C213 W217 D222N64-R215 HydrophobicContact CB-CB 3.74Å; N64-R215 PolarHBondContact ND2-NH1 3.34Å; C65-R215 CarbonylContact C-O 3.48Å; C65-R215 WeakPolarHBondContact CA-O 3.14Å; R66-R215 HydrophobicContact CG-CG 4.45Å; R66-R215 PolarHBondContact N-O 3.3Å; T145-R215 PolarHBondContact O-NH1 3.45Å; E153-R215 IonicContact OE1-CZ 3Å; E153-R215 IonicContact OE1-NH1 2.65Å; E153-R215 PolarHBondContact OE1-NH1 3.12Å; E153-R215 IonicContact OE2-NH1 3.46Å; E153-R215 PolarHBondContact OE2-NH1 3.24Å; C213-R215 PolarHBondContact O-N 3.16Å; R215-W217 VanDerWaalsContact C-N 3.29Å; R215-W217 PolarHBondContact O-N 3.4Å; R215-D222 HydrophobicContact CB-CB 4.1Å; R215-D222 VanDerWaalsContact CB-OD2 3.31Å; R215-D222 WeakPolarHBondContact CB-OD2 3.44Å; R215-D222 WeakPolarHBondContact CG-OD2 3.3Å; R215-D222 IonicContact CZ-OD2 3.22Å; R215-D222 PolarHBondContact N-OD2 2.91Å; R215-D222 VanDerWaalsContact N-OD2 3.11Å; R215-D222 IonicContact NE-OD2 2.91Å; R215-D222 PolarHBondContact NE-OD2 2.83Å; R215-D222 IonicContact NH2-OD2 2.67Å
216L92.3Very high89Confident3 Ų310.3 Ų10.32%0.0166%0.057CC..G310 helixtrans-76.2-14.4-177.1-63.5179.1000113.5R66 S185 C213 S214 G1040R66-L216 HydrophobicContact CB-CD2 4.05Å; S185-L216 WeakPolarHBondContact OG-CD1 3.45Å; C213-L216 HydrophobicContact CB-CD1 3.8Å; C213-L216 HydrophobicContact CB-CG 4.23Å; C213-L216 WeakPolarHBondContact O-CB 3.49Å; C213-L216 WeakPolarHBondContact O-CG 3.35Å; C213-L216 PolarHBondContact O-N 3.35Å; C213-L216 VanDerWaalsContact O-N 3.13Å; S214-L216 PolarHBondContact O-N 3Å; L216-G1040 WeakPolarHBondContact CD1-O 3.15Å
217W93.1Very high88.9Confident11 Ų1110.4 Ų10.44%0.0426%0.058CC..THydrogen-bonded Turntrans-131.5-22.6-176.174.1-62.2000114.9L31 F178 L180 F187 T207 S214 R215 I275 L277L31-W217 HydrophobicContact CD2-CH2 4.12Å; F178-W217 WeakPolarHBondContact CE2-O 3.28Å; L180-W217 HydrophobicContact CD2-CB 3.84Å; F187-W217 HydrophobicContact CB-CB 3.94Å; F187-W217 HydrophobicContact CD2-CB 4.4Å; F187-W217 HydrophobicContact CD2-CD2 4.11Å; F187-W217 AromaticContact CD2-CE3 3.4Å; F187-W217 HydrophobicContact CD2-CE3 3.4Å; F187-W217 VanDerWaalsContact CD2-CE3 3.4Å; F187-W217 HydrophobicContact CD2-CZ3 4.04Å; F187-W217 AromaticContact CE2-CE3 3.71Å; F187-W217 HydrophobicContact CE2-CE3 3.71Å; F187-W217 AromaticContact CE2-CZ3 3.9Å; F187-W217 HydrophobicContact CE2-CZ3 3.9Å; T207-W217 HydrophobicContact CG2-CD2 3.52Å; T207-W217 VanDerWaalsContact CG2-CE2 3.47Å; T207-W217 HydrophobicContact CG2-CE3 3.52Å; T207-W217 HydrophobicContact CG2-CG 4.32Å; T207-W217 HydrophobicContact CG2-CH2 3.56Å; T207-W217 HydrophobicContact CG2-CZ2 3.53Å; T207-W217 HydrophobicContact CG2-CZ3 3.53Å; S214-W217 PolarHBondContact O-N 2.96Å; R215-W217 VanDerWaalsContact C-N 3.29Å; R215-W217 PolarHBondContact O-N 3.4Å; W217-I275 HydrophobicContact CZ2-CG2 4.4Å; W217-L277 HydrophobicContact CH2-CB 3.47Å; W217-L277 VanDerWaalsContact CH2-CB 3.47Å; W217-L277 HydrophobicContact CH2-CD2 4.42Å; W217-L277 HydrophobicContact CZ3-CB 3.55Å; W217-L277 HydrophobicContact CZ3-CD2 3.84Å; W217-L277 HydrophobicContact CZ3-CG 4.33Å
218F95.9Very high89Confident0 Ų010.6 Ų10.60%06%0.059CC..SBendtrans-146.6155.916971.8-78000112.1L31 F178 S214 C220 W229 A272L31-F218 HydrophobicContact CD1-CB 3.94Å; L31-F218 HydrophobicContact CD1-CD2 3.99Å; L31-F218 HydrophobicContact CD1-CG 4.04Å; L31-F218 HydrophobicContact CD2-CD1 4.32Å; L31-F218 HydrophobicContact CD2-CD2 4.35Å; L31-F218 HydrophobicContact CD2-CE1 4.48Å; L31-F218 HydrophobicContact CD2-CE2 4.49Å; L31-F218 HydrophobicContact CD2-CG 4.26Å; F178-F218 HydrophobicContact CE1-CB 4.12Å; F178-F218 HydrophobicContact CE2-CB 4.02Å; F178-F218 HydrophobicContact CZ-CB 3.55Å; S214-F218 PolarHBondContact O-N 3.12Å; F218-C220 HydrophobicContact CD2-CB 3.97Å; F218-C220 HydrophobicContact CE2-CB 3.49Å; F218-C220 VanDerWaalsContact CE2-CB 3.49Å; F218-C220 HydrophobicContact CZ-CB 4.04Å; F218-C220 PolarHBondContact O-N 2.88Å; F218-W229 AromaticContact CE2-CH2 3.78Å; F218-W229 HydrophobicContact CE2-CH2 3.78Å; F218-W229 AromaticContact CE2-CZ3 3.74Å; F218-W229 HydrophobicContact CE2-CZ3 3.74Å; F218-W229 AromaticContact CZ-CH2 3.86Å; F218-W229 HydrophobicContact CZ-CH2 3.86Å; F218-W229 AromaticContact CZ-CZ3 3.95Å; F218-W229 HydrophobicContact CZ-CZ3 3.95Å; F218-A272 HydrophobicContact CZ-CB 4.3Å
219P97.4Very high89.6Confident0 Ų010 Ų100%05%0.054CC..  trans-67.8126.1173.5-14.227.3000111.8Q29 T47 I63 N64 C65 I176 F178Q29-P219 PolarHBondContact NE2-O 3.14Å; Q29-P219 VanDerWaalsContact NE2-O 3.15Å; T47-P219 HydrophobicContact CG2-CB 3.98Å; T47-P219 HydrophobicContact CG2-CG 4.08Å; T47-P219 WeakPolarHBondContact CG2-O 3.25Å; I63-P219 HydrophobicContact CG2-CB 3.94Å; N64-P219 WeakPolarHBondContact O-CA 3.22Å; C65-P219 HydrophobicContact CB-CB 4.14Å; C65-P219 HydrophobicContact CB-CG 4.44Å; I176-P219 HydrophobicContact CB-CG 4.37Å; I176-P219 HydrophobicContact CD1-CB 4.1Å; I176-P219 HydrophobicContact CG2-CB 4.26Å; I176-P219 HydrophobicContact CG2-CG 3.81Å; F178-P219 HydrophobicContact CB-CG 4.18Å; F178-P219 HydrophobicContact CD1-CG 3.8Å; F178-P219 HydrophobicContact CE1-CG 4.41Å; F178-P219 HydrophobicContact CG-CG 4.02Å
220C96.3Very high90.8Very high0 Ų09.4 Ų9.40%05%0.052CC..BIsolated β-bridgetrans-156.3176.617964.40000112.3N64 F218 A272N64-C220 WeakPolarHBondContact CA-O 3.24Å; N64-C220 WeakPolarHBondContact CB-O 3.34Å; N64-C220 PolarHBondContact N-O 2.74Å; N64-C220 PolarHBondContact O-N 3.22Å; F218-C220 HydrophobicContact CD2-CB 3.97Å; F218-C220 HydrophobicContact CE2-CB 3.49Å; F218-C220 VanDerWaalsContact CE2-CB 3.49Å; F218-C220 HydrophobicContact CZ-CB 4.04Å; F218-C220 PolarHBondContact O-N 2.88Å; C220-A272 HydrophobicContact CB-CB 3.87Å
221I95.1Very high92.1Very high4 Ų47.6 Ų7.62%0.0214%0.04CC..  trans-91.2101.1162.8-50.5176.8000106.7Y24 L26 L49 P147 C223Y24-I221 HydrophobicContact CD2-CD1 4.48Å; Y24-I221 HydrophobicContact CE2-CD1 3.58Å; L26-I221 HydrophobicContact CB-CD1 4.01Å; L26-I221 HydrophobicContact CD2-CD1 4.18Å; L26-I221 HydrophobicContact CD2-CG1 4.48Å; L49-I221 HydrophobicContact CD2-CG1 4.31Å; P147-I221 HydrophobicContact CB-CG2 3.96Å; I221-C223 VanDerWaalsContact C-N 3.27Å; I221-C223 VanDerWaalsContact CG2-SG 3.58Å; I221-C223 PolarHBondContact O-N 3.36Å
222D93.7Very high93.2Very high0 Ų08.4 Ų8.40%04%0.043CC..  trans-89.660.4-165.5-166.619.9000112.2N64 P147 N212 C213 S214 R215N64-D222 HydrophobicContact CB-CB 3.81Å; N64-D222 PolarHBondContact OD1-N 3.07Å; P147-D222 WeakPolarHBondContact CG-O 3.46Å; N212-D222 VanDerWaalsContact C-CG 3.48Å; N212-D222 WeakPolarHBondContact CA-OD1 3.36Å; C213-D222 PolarHBondContact N-OD2 3.25Å; S214-D222 PolarHBondContact N-OD1 3.22Å; S214-D222 PolarHBondContact N-OD2 2.94Å; R215-D222 HydrophobicContact CB-CB 4.1Å; R215-D222 VanDerWaalsContact CB-OD2 3.31Å; R215-D222 WeakPolarHBondContact CB-OD2 3.44Å; R215-D222 WeakPolarHBondContact CG-OD2 3.3Å; R215-D222 IonicContact CZ-OD2 3.22Å; R215-D222 PolarHBondContact N-OD2 2.91Å; R215-D222 VanDerWaalsContact N-OD2 3.11Å; R215-D222 IonicContact NE-OD2 2.91Å; R215-D222 PolarHBondContact NE-OD2 2.83Å; R215-D222 IonicContact NH2-OD2 2.67Å
223C91.7Very high94.1Very high0 Ų07.4 Ų7.40%04%0.037CC..SBendtrans-140.1-176.1177.965.90000110.7R22 P147 D148 I221 E225 P271R22-C223 PolarHBondContact NH1-SG 2.93Å; R22-C223 PolarHBondContact NH2-SG 2.84Å; P147-C223 HydrophobicContact CB-CB 4.02Å; P147-C223 HydrophobicContact CG-CB 3.72Å; D148-C223 VanDerWaalsContact OD1-CB 3.32Å; D148-C223 WeakPolarHBondContact OD1-CB 3.39Å; I221-C223 VanDerWaalsContact C-N 3.27Å; I221-C223 VanDerWaalsContact CG2-SG 3.58Å; I221-C223 PolarHBondContact O-N 3.36Å; C223-E225 PolarHBondContact O-N 3.15Å; C223-P271 WeakPolarHBondContact O-CB 3.39Å
224S91.6Very high94.6Very high13 Ų137.9 Ų7.99%0.0914%0.04CC..SBendtrans-74.643.8174.2-61.50000114.3P226 M390 L561S224-P226 VanDerWaalsContact O-CD 3.27Å; S224-P226 WeakPolarHBondContact O-CD 3.3Å; S224-M390 WeakPolarHBondContact CB-O 3.44Å; S224-M390 PolarHBondContact OG-O 3.46Å; S224-L561 WeakPolarHBondContact O-CD2 3.38Å
225E90.6Very high94.8Very high7 Ų77.6 Ų7.63%0.0334%0.038CC..  trans-89108.5173.3-17171.2-143.900109.6R22 L26 C223 C227 P271 R557R22-E225 IonicContact CZ-OE2 3.9Å; R22-E225 IonicContact NE-OE2 3.36Å; R22-E225 IonicContact NH2-OE2 2.81Å; R22-E225 PolarHBondContact NH2-OE2 2.64Å; L26-E225 HydrophobicContact CB-CG 4.2Å; C223-E225 PolarHBondContact O-N 3.15Å; E225-C227 PolarHBondContact O-N 3.16Å; E225-P271 VanDerWaalsContact O-CA 3.27Å; E225-P271 WeakPolarHBondContact O-CA 3.47Å; E225-P271 WeakPolarHBondContact O-CB 3.25Å; E225-R557 VanDerWaalsContact CD-NH1 3.26Å; E225-R557 IonicContact OE1-CZ 3.92Å; E225-R557 IonicContact OE1-NH1 2.88Å; E225-R557 PolarHBondContact OE1-NH1 3.41Å; E225-R557 IonicContact OE2-NH1 2.69Å; E225-R557 PolarHBondContact OE2-NH1 3Å
226P92.9Very high94.8Very high4 Ų410 Ų103%0.0265%0.049CC..  trans-76.5126.5-177.830.6-32.6000110.9S224 P269 M552 R557S224-P226 VanDerWaalsContact O-CD 3.27Å; S224-P226 WeakPolarHBondContact O-CD 3.3Å; P226-P269 HydrophobicContact CB-CB 4Å; P226-M552 HydrophobicContact CG-SD 4.39Å; P226-R557 HydrophobicContact CG-CG 3.81Å
227C93Very high94.8Very high2 Ų214.3 Ų14.31%0.0147%0.069CC..EExtended strand (participates in β ladder)trans-140.6167.7173.964.40000111L26 E225 W229 P269 V270L26-C227 HydrophobicContact CD2-CB 4.23Å; L26-C227 HydrophobicContact CG-CB 3.99Å; L26-C227 WeakPolarHBondContact O-CB 3.43Å; E225-C227 PolarHBondContact O-N 3.16Å; C227-W229 PolarHBondContact O-NE1 3.48Å; C227-W229 VanDerWaalsContact SG-CE2 3.5Å; C227-W229 PolarHBondContact SG-NE1 3.27Å; C227-P269 CarbonylContact O-C 3.56Å; C227-P269 VanDerWaalsContact O-CA 3.3Å; C227-P269 WeakPolarHBondContact O-CA 3.31Å; C227-V270 PolarHBondContact N-O 2.88Å; C227-V270 VanDerWaalsContact N-O 3.1Å; C227-V270 PolarHBondContact O-N 3Å
228T94.4Very high94.7Very high6 Ų617 Ų174%0.0378%0.084CC..EExtended strand (participates in β ladder)trans-85.6154173.152.90000110.4A27 H28 Q29 P269A27-T228 PolarHBondContact O-N 3.36Å; A27-T228 PolarHBondContact O-OG1 3.45Å; H28-T228 WeakPolarHBondContact CA-O 3.34Å; H28-T228 PolarHBondContact ND1-O 3.1Å; H28-T228 PolarHBondContact ND1-OG1 3.34Å; Q29-T228 PolarHBondContact N-O 2.82Å; T228-P269 HydrophobicContact CG2-CG 4.45Å
229W95.8Very high94.7Very high0 Ų017 Ų170%08%0.084CC..EExtended strand (participates in β ladder)trans-130.1137.3-173.4-65.478.4000112.8Q29 F218 C227 I231 Y265 V266 V270 A272 I275Q29-W229 HydrophobicContact CB-CD2 4.2Å; Q29-W229 HydrophobicContact CB-CE3 3.84Å; Q29-W229 HydrophobicContact CB-CH2 3.95Å; Q29-W229 HydrophobicContact CB-CZ2 4.26Å; Q29-W229 HydrophobicContact CB-CZ3 3.73Å; Q29-W229 VanDerWaalsContact CD-CZ3 3.4Å; Q29-W229 HydrophobicContact CG-CE3 4.02Å; Q29-W229 HydrophobicContact CG-CH2 3.88Å; Q29-W229 HydrophobicContact CG-CZ3 3.51Å; Q29-W229 WeakPolarHBondContact O-CA 3.17Å; F218-W229 AromaticContact CE2-CH2 3.78Å; F218-W229 HydrophobicContact CE2-CH2 3.78Å; F218-W229 AromaticContact CE2-CZ3 3.74Å; F218-W229 HydrophobicContact CE2-CZ3 3.74Å; F218-W229 AromaticContact CZ-CH2 3.86Å; F218-W229 HydrophobicContact CZ-CH2 3.86Å; F218-W229 AromaticContact CZ-CZ3 3.95Å; F218-W229 HydrophobicContact CZ-CZ3 3.95Å; C227-W229 PolarHBondContact O-NE1 3.48Å; C227-W229 VanDerWaalsContact SG-CE2 3.5Å; C227-W229 PolarHBondContact SG-NE1 3.27Å; W229-I231 HydrophobicContact CB-CG1 4.37Å; W229-Y265 WeakPolarHBondContact O-CA 3.46Å; W229-Y265 VanDerWaalsContact O-CD2 3.25Å; W229-Y265 WeakPolarHBondContact O-CD2 3.31Å; W229-V266 HydrophobicContact CB-CB 3.99Å; W229-V266 HydrophobicContact CB-CG2 3.95Å; W229-V266 PolarHBondContact N-O 2.87Å; W229-V266 PolarHBondContact O-N 3.45Å; W229-V270 PolarHBondContact NE1-O 3.06Å; W229-A272 HydrophobicContact CH2-CB 3.78Å; W229-A272 VanDerWaalsContact CZ2-CA 3.48Å; W229-A272 HydrophobicContact CZ2-CB 3.8Å; W229-I275 HydrophobicContact CB-CD1 4.34Å; W229-I275 HydrophobicContact CD2-CD1 3.72Å; W229-I275 HydrophobicContact CD2-CG1 3.6Å; W229-I275 HydrophobicContact CE3-CD1 4.29Å; W229-I275 HydrophobicContact CE3-CG1 3.84Å; W229-I275 HydrophobicContact CG-CD1 3.71Å; W229-I275 HydrophobicContact CG-CG1 4.16Å; W229-I275 HydrophobicContact CH2-CG1 3.98Å; W229-I275 HydrophobicContact CZ2-CG1 3.78Å; W229-I275 HydrophobicContact CZ3-CG1 4.01Å
230K96.8Very high94.6Very high50 Ų5017.9 Ų17.922%0.2179%0.089CC..EExtended strand (participates in β ladder)trans-114.2124.6162.5-175-174.8-179.5-155.40107.6H28 Q29 T30 L31 E232 Y265H28-K230 PolarHBondContact CE1-N 3.13Å; Q29-K230 PolarHBondContact O-N 2.78Å; Q29-K230 VanDerWaalsContact O-N 3.09Å; T30-K230 CarbonylContact C-O 3.46Å; T30-K230 VanDerWaalsContact CA-O 3.24Å; T30-K230 WeakPolarHBondContact CA-O 3.42Å; T30-K230 HydrophobicContact CG2-CB 4.18Å; T30-K230 HydrophobicContact CG2-CD 4.15Å; T30-K230 HydrophobicContact CG2-CG 4.32Å; L31-K230 PolarHBondContact N-O 2.79Å; K230-E232 WeakPolarHBondContact CE-OE1 3.27Å; K230-E232 IonicContact NZ-OE1 3.98Å; K230-E232 PolarHBondContact NZ-OE1 2.89Å; K230-Y265 HydrophobicContact CB-CD2 4.3Å
231I97.8Very high94.7Very high4 Ų418 Ų182%0.0219%0.09CC..EExtended strand (participates in β ladder)trans-123.1120.7-176.6-52.6168.9000108.1L31 W229 V233 A243 P244 F264 V266 I275L31-I231 CarbonylContact O-C 3.57Å; L31-I231 WeakPolarHBondContact O-CA 3.38Å; W229-I231 HydrophobicContact CB-CG1 4.37Å; I231-V233 HydrophobicContact CG2-CG2 3.9Å; I231-A243 HydrophobicContact CD1-CB 4.15Å; I231-A243 HydrophobicContact CG2-CB 4.07Å; I231-P244 HydrophobicContact CD1-CB 4.46Å; I231-F264 HydrophobicContact CB-CB 4.24Å; I231-F264 PolarHBondContact N-O 3.33Å; I231-F264 PolarHBondContact O-N 3.25Å; I231-V266 HydrophobicContact CD1-CG2 4.4Å; I231-I275 HydrophobicContact CD1-CD1 4.4Å; I231-I275 HydrophobicContact CD1-CG2 3.87Å
232E97.6Very high94.8Very high29 Ų2917.9 Ų17.914%0.1369%0.09CC..EExtended strand (participates in β ladder)trans-116.2130.3177.1-55.8-173.416000108.7L31 C32 I33 K230 Y262 H263L31-E232 PolarHBondContact O-N 3.48Å; C32-E232 CarbonylContact C-O 3.58Å; C32-E232 WeakPolarHBondContact CA-O 3.44Å; C32-E232 HydrophobicContact CB-CB 4.24Å; C32-E232 PolarHBondContact SG-OE2 3.06Å; C32-E232 VanDerWaalsContact SG-OE2 3.41Å; I33-E232 PolarHBondContact N-O 2.97Å; K230-E232 WeakPolarHBondContact CE-OE1 3.27Å; K230-E232 IonicContact NZ-OE1 3.98Å; K230-E232 PolarHBondContact NZ-OE1 2.89Å; E232-Y262 VanDerWaalsContact CA-O 3.3Å; E232-Y262 WeakPolarHBondContact CA-O 3.48Å; E232-H263 WeakPolarHBondContact CG-ND1 3.41Å; E232-H263 IonicContact OE1-CE1 2.68Å; E232-H263 PolarHBondContact OE1-CE1 2.85Å; E232-H263 IonicContact OE1-ND1 3.66Å; E232-H263 PolarHBondContact OE1-ND1 3.24Å; E232-H263 IonicContact OE2-CE1 2.98Å
233V97.8Very high95Very high0 Ų017.9 Ų17.90%09%0.09CC..EExtended strand (participates in β ladder)trans-136.4118.4-177.6-167.80000109.2I33 I36 I231 V235 A241 T261 Y262 L277 V279I33-V233 HydrophobicContact CB-CG1 4.22Å; I33-V233 HydrophobicContact CG2-CG1 4.47Å; I36-V233 HydrophobicContact CD1-CG1 4.24Å; I231-V233 HydrophobicContact CG2-CG2 3.9Å; V233-V235 HydrophobicContact CG1-CG1 3.84Å; V233-A241 HydrophobicContact CB-CB 3.95Å; V233-A241 HydrophobicContact CG1-CB 3.86Å; V233-T261 WeakPolarHBondContact O-CA 3.33Å; V233-Y262 PolarHBondContact N-O 3.45Å; V233-Y262 PolarHBondContact O-N 3.22Å; V233-L277 HydrophobicContact CG1-CD1 4.29Å; V233-L277 HydrophobicContact CG1-CD2 4.21Å; V233-L277 HydrophobicContact CG2-CD1 3.86Å; V233-L277 HydrophobicContact CG2-CD2 4.41Å; V233-V279 HydrophobicContact CG1-CG2 4.11Å
234T97Very high95.2Very high18 Ų1817.9 Ų17.911%0.119%0.09CC..EExtended strand (participates in β ladder)trans-100.6125.9175.5-55.10000109.8I33 T34 T254 H259 K260 T261I33-T234 PolarHBondContact O-N 3.4Å; T34-T234 WeakPolarHBondContact O-CB 3.26Å; T234-T254 HydrophobicContact CG2-CG2 4.46Å; T234-H259 HydrophobicContact CG2-CB 3.82Å; T234-K260 WeakPolarHBondContact CA-O 3.18Å; T234-T261 WeakPolarHBondContact OG1-CG2 3.45Å; T234-T261 PolarHBondContact OG1-OG1 3.21Å
235V95.9Very high95.2Very high2 Ų217.4 Ų17.41%0.0129%0.087CC..EExtended strand (participates in β ladder)trans-138.5163.7-175.4-580000109.9I36 V233 L239 A241 H259 K260 Y262 V279I36-V235 HydrophobicContact CD1-CG1 4.28Å; V233-V235 HydrophobicContact CG1-CG1 3.84Å; V235-L239 HydrophobicContact CB-CB 4.27Å; V235-L239 HydrophobicContact CG2-CB 4.24Å; V235-A241 HydrophobicContact CG1-CB 4.11Å; V235-A241 HydrophobicContact CG2-CB 4.5Å; V235-H259 CarbonylContact O-C 3.6Å; V235-H259 WeakPolarHBondContact O-CA 3.37Å; V235-H259 VanDerWaalsContact O-CB 3.28Å; V235-H259 WeakPolarHBondContact O-CB 3.43Å; V235-K260 PolarHBondContact N-O 3.49Å; V235-K260 PolarHBondContact O-N 3.5Å; V235-Y262 HydrophobicContact CG2-CD2 4.18Å; V235-Y262 HydrophobicContact CG2-CE2 3.74Å; V235-V279 HydrophobicContact CB-CG1 4.19Å; V235-V279 HydrophobicContact CG1-CB 4.46Å; V235-V279 HydrophobicContact CG1-CG1 3.48Å; V235-V279 VanDerWaalsContact CG1-CG1 3.48Å; V235-V279 HydrophobicContact CG1-CG2 4.1Å
236F94.4Very high95.3Very high58 Ų5821.5 Ų21.525%0.25411%0.106SC..EExtended strand (participates in β ladder)trans-58.6152.2173-72.3-72.8000112L198 D238 L239 H259L198-F236 HydrophobicContact CD1-CD2 3.95Å; L198-F236 HydrophobicContact CD1-CE2 4.02Å; F236-D238 VanDerWaalsContact CB-OD1 3.25Å; F236-D238 WeakPolarHBondContact CB-OD1 3.1Å; F236-D238 PolarHBondContact O-N 3.44Å; F236-D238 VanDerWaalsContact O-N 3.16Å; F236-L239 HydrophobicContact CB-CD1 4.13Å; F236-L239 HydrophobicContact CB-CG 4.16Å; F236-L239 HydrophobicContact CD2-CD1 4.26Å; F236-L239 PolarHBondContact O-N 3.28Å; F236-H259 AromaticContact CD1-CE1 3.74Å; F236-H259 AromaticContact CD1-NE2 3.55Å; F236-H259 AromaticContact CE1-CE1 3.47Å; F236-H259 VanDerWaalsContact CE1-CE1 3.47Å; F236-H259 WeakPolarHBondContact CE1-CE1 3.33Å; F236-H259 AromaticContact CE1-NE2 3.37Å; F236-H259 WeakPolarHBondContact CE1-NE2 2.97Å; F236-H259 AromaticContact CZ-NE2 3.78Å
237E92.3Very high95.4Very high93 Ų9325 Ų2544%0.43513%0.125SC..THydrogen-bonded Turntrans-54.9-35.5-174.2150.2167.6-137.100114.2L239 Y253 T258 K260E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 2.97Å; E237-Y253 HydrophobicContact CG-CE1 4.39Å; E237-T258 PolarHBondContact N-O 2.89Å; E237-K260 VanDerWaalsContact CG-CE 3.49Å; E237-K260 WeakPolarHBondContact O-CE 2.88Å; E237-K260 PolarHBondContact O-NZ 3.46Å
238D91.6Very high95.2Very high66 Ų6628.8 Ų28.835%0.35314%0.144SC..THydrogen-bonded Turntrans-80.6-6.1-178.960.9-27.2000113.8S199 F236S199-D238 VanDerWaalsContact CB-OD2 3.27Å; S199-D238 WeakPolarHBondContact CB-OD2 3.26Å; S199-D238 PolarHBondContact N-OD2 3.08Å; F236-D238 VanDerWaalsContact CB-OD1 3.25Å; F236-D238 WeakPolarHBondContact CB-OD1 3.1Å; F236-D238 PolarHBondContact O-N 3.44Å; F236-D238 VanDerWaalsContact O-N 3.16Å
239L95.2Very high94.9Very high2 Ų232.7 Ų32.71%0.0116%0.164CC..  trans-105.5154.1-177.7-54.5-177.9000112.6F38 V203 V235 F236 E237 Y262 A281F38-L239 HydrophobicContact CD2-CD1 4.04Å; F38-L239 HydrophobicContact CE2-CD1 3.49Å; F38-L239 VanDerWaalsContact CE2-CD1 3.49Å; F38-L239 HydrophobicContact CZ-CD1 4.28Å; V203-L239 HydrophobicContact CG2-CD2 4.16Å; V235-L239 HydrophobicContact CB-CB 4.27Å; V235-L239 HydrophobicContact CG2-CB 4.24Å; F236-L239 HydrophobicContact CB-CD1 4.13Å; F236-L239 HydrophobicContact CB-CG 4.16Å; F236-L239 HydrophobicContact CD2-CD1 4.26Å; F236-L239 PolarHBondContact O-N 3.28Å; E237-L239 VanDerWaalsContact C-N 3.29Å; E237-L239 PolarHBondContact O-N 2.97Å; L239-Y262 PolarHBondContact O-OH 3.17Å; L239-A281 HydrophobicContact CD2-CB 4Å
240V96.1Very high94.6Very high17 Ų1736.3 Ų36.310%0.10319%0.194CC..EExtended strand (participates in β ladder)trans-114.5130178.7-178.20000109.2V242 V279 G280 F282 I284 F297V240-V242 HydrophobicContact CG1-CG2 4.12Å; V240-V279 CarbonylContact O-C 3.54Å; V240-V279 VanDerWaalsContact O-CA 3.3Å; V240-V279 WeakPolarHBondContact O-CA 3.46Å; V240-G280 PolarHBondContact N-O 2.6Å; V240-G280 PolarHBondContact O-N 3.37Å; V240-F282 HydrophobicContact CB-CB 4.47Å; V240-F282 HydrophobicContact CB-CD2 4.4Å; V240-I284 HydrophobicContact CG1-CD1 4.42Å; V240-I284 HydrophobicContact CG2-CD1 4.01Å; V240-I284 HydrophobicContact CG2-CG1 4.38Å; V240-F297 HydrophobicContact CG1-CD1 4.14Å; V240-F297 HydrophobicContact CG1-CE1 3.87Å
241A97.3Very high94.3Very high3 Ų335.7 Ų35.73%0.02520%0.195CC..EExtended strand (participates in β ladder)trans-99.3137.1170.200000110.5V233 V235 Y262 F264 V279V233-A241 HydrophobicContact CB-CB 3.95Å; V233-A241 HydrophobicContact CG1-CB 3.86Å; V235-A241 HydrophobicContact CG1-CB 4.11Å; V235-A241 HydrophobicContact CG2-CB 4.5Å; A241-Y262 HydrophobicContact CB-CD2 3.69Å; A241-Y262 HydrophobicContact CB-CE2 4.11Å; A241-Y262 HydrophobicContact CB-CG 4.04Å; A241-F264 WeakPolarHBondContact O-CZ 3.44Å; A241-V279 HydrophobicContact CB-CG2 4.01Å
242V97.4Very high94Very high1 Ų140.2 Ų40.21%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-131.7116.8179.1-168.20000109.3V240 A278 F297 K334 V336 L351V240-V242 HydrophobicContact CG1-CG2 4.12Å; V242-A278 PolarHBondContact N-O 3.44Å; V242-A278 PolarHBondContact O-N 3.5Å; V242-F297 HydrophobicContact CB-CE2 4.48Å; V242-F297 HydrophobicContact CG1-CD2 4.05Å; V242-F297 HydrophobicContact CG1-CE2 3.73Å; V242-F297 HydrophobicContact CG1-CZ 4.24Å; V242-F297 HydrophobicContact CG2-CD1 3.78Å; V242-F297 HydrophobicContact CG2-CD2 3.84Å; V242-F297 HydrophobicContact CG2-CE1 3.76Å; V242-F297 HydrophobicContact CG2-CE2 3.84Å; V242-F297 HydrophobicContact CG2-CG 3.83Å; V242-F297 HydrophobicContact CG2-CZ 3.8Å; V242-K334 HydrophobicContact CG1-CB 4.17Å; V242-K334 HydrophobicContact CG1-CD 3.73Å; V242-V336 HydrophobicContact CB-CG2 3.89Å; V242-V336 HydrophobicContact CG1-CG2 3.68Å; V242-V336 HydrophobicContact CG2-CG2 4.07Å; V242-L351 HydrophobicContact CG1-CD1 3.92Å
243A97Very high93.7Very high0 Ų044.1 Ų44.10%023%0.227CC..  trans-131.3165176.400000111.3I231 F264 L277 K334I231-A243 HydrophobicContact CD1-CB 4.15Å; I231-A243 HydrophobicContact CG2-CB 4.07Å; A243-F264 HydrophobicContact CB-CB 4.45Å; A243-F264 HydrophobicContact CB-CD2 3.6Å; A243-F264 HydrophobicContact CB-CE2 3.91Å; A243-F264 HydrophobicContact CB-CG 3.98Å; A243-L277 HydrophobicContact CB-CD1 4.2Å; A243-K334 PolarHBondContact O-NZ 3.37Å
244P95.9Very high93.3Very high0 Ų046 Ų460%024%0.238CC..SBendtrans-49.4149.7167.6-35.741.8000114.2I231 F264 V266 I275 G276 F348 A349 L351I231-P244 HydrophobicContact CD1-CB 4.46Å; P244-F264 WeakPolarHBondContact O-CB 3.29Å; P244-V266 HydrophobicContact CB-CG2 3.75Å; P244-I275 HydrophobicContact CB-CD1 4.39Å; P244-I275 HydrophobicContact CG-CD1 4.42Å; P244-G276 WeakPolarHBondContact CD-O 3.4Å; P244-F348 HydrophobicContact CG-CB 4.23Å; P244-A349 WeakPolarHBondContact CA-O 3.36Å; P244-A349 HydrophobicContact CB-CB 4.34Å; P244-A349 WeakPolarHBondContact CB-O 3.41Å; P244-A349 WeakPolarHBondContact CG-O 3.36Å; P244-L351 HydrophobicContact CG-CB 4.29Å; P244-L351 HydrophobicContact CG-CD2 4.42Å
245G93.3Very high92.9Very high4 Ų455.1 Ų55.14%0.04128%0.28CS..SBendtrans94.4-176.5172.700000114.1Y265 K334 S350G245-Y265 CarbonylContact C-O 3.58Å; G245-Y265 VanDerWaalsContact CA-O 3.23Å; G245-Y265 WeakPolarHBondContact CA-O 3.42Å; G245-K334 WeakPolarHBondContact O-CE 3.48Å; G245-K334 PolarHBondContact O-NZ 3.47Å; G245-S350 PolarHBondContact N-OG 3.06Å
246E92.7Very high92.6Very high93 Ų9359.7 Ų59.744%0.43530%0.304SS..EExtended strand (participates in β ladder)trans-79.8142.1175.6-67.6173.2-16000109.7I248 F264 Y265 S331E246-I248 PolarHBondContact O-N 2.84Å; E246-F264 CarbonylContact O-C 3.47Å; E246-F264 VanDerWaalsContact O-CA 3.24Å; E246-F264 WeakPolarHBondContact O-CA 3.23Å; E246-Y265 PolarHBondContact N-O 3.23Å; E246-Y265 PolarHBondContact O-N 3.47Å; E246-S331 VanDerWaalsContact CD-OG 3.24Å; E246-S331 WeakPolarHBondContact CG-OG 3.42Å; E246-S331 WeakPolarHBondContact OE1-CB 3.47Å; E246-S331 PolarHBondContact OE1-OG 3.17Å
247L93.9Very high92.4Very high78 Ų7862 Ų6241%0.40832%0.319SS..EExtended strand (participates in β ladder)trans-79.1114.3166.3-179.768.3000106.8D249 Y262 F264L247-D249 WeakPolarHBondContact CD1-O 3.15Å; L247-D249 VanDerWaalsContact CG-O 3.25Å; L247-D249 WeakPolarHBondContact CG-O 3.16Å; L247-Y262 HydrophobicContact CD1-CD1 4.08Å; L247-F264 HydrophobicContact CB-CD1 4.16Å; L247-F264 HydrophobicContact CB-CE1 4.07Å; L247-F264 HydrophobicContact CD1-CD1 4.06Å; L247-F264 HydrophobicContact CD1-CE1 3.72Å; L247-F264 HydrophobicContact CD1-CZ 4.1Å; L247-F264 HydrophobicContact CG-CE1 4.44Å
248I90Very high92.3Very high81 Ų8160.4 Ų60.442%0.41532%0.315SS..  trans-67.3-47.5-172.3-63.9165000110.7E246 H263 Y265E246-I248 PolarHBondContact O-N 2.84Å; I248-H263 PolarHBondContact N-O 3.44Å; I248-Y265 HydrophobicContact CD1-CG 4.49Å
249D87Confident92.4Very high88 Ų8858.6 Ų58.647%0.47131%0.305SS..SBendtrans-138.8166.1-177.7-79.5-38.5000110.6L247 Y252L247-D249 WeakPolarHBondContact CD1-O 3.15Å; L247-D249 VanDerWaalsContact CG-O 3.25Å; L247-D249 WeakPolarHBondContact CG-O 3.16Å; D249-Y252 HydrophobicContact CB-CE1 3.94Å; D249-Y252 VanDerWaalsContact CB-OH 3.31Å; D249-Y252 WeakPolarHBondContact CB-OH 3.18Å; D249-Y252 PolarHBondContact OD2-OH 2.65Å
250A89.3Confident92.4Very high76 Ų7659.9 Ų59.963%0.62831%0.31SS*.SBendtrans-55.8143.2166.700000110.3Y252A250-Y252 PolarHBondContact O-N 2.96Å
251P90.5Very high92.4Very high36 Ų3660.1 Ų60.123%0.23431%0.312CS..PPolyproline II helixtrans-59.9133.4-177.524.2-33.5000111.2K260 T261 Y262P251-K260 HydrophobicContact CB-CB 4.29Å; P251-T261 VanDerWaalsContact CA-O 3.26Å; P251-T261 WeakPolarHBondContact CA-O 3.27Å; P251-Y262 HydrophobicContact CB-CD1 3.93Å; P251-Y262 HydrophobicContact CB-CD2 4.23Å; P251-Y262 HydrophobicContact CB-CE1 3.88Å; P251-Y262 HydrophobicContact CB-CE2 4.19Å; P251-Y262 HydrophobicContact CB-CG 4.11Å; P251-Y262 HydrophobicContact CG-CD1 4.29Å; P251-Y262 HydrophobicContact CG-CE1 3.83Å
252Y91.7Very high92.4Very high100 Ų10061.1 Ų61.139%0.39232%0.315SS..EExtended strand (participates in β ladder)trans-84.8139.8179.2-40-69.3000109.6D249 A250 K260 T261 H263D249-Y252 HydrophobicContact CB-CE1 3.94Å; D249-Y252 VanDerWaalsContact CB-OH 3.31Å; D249-Y252 WeakPolarHBondContact CB-OH 3.18Å; D249-Y252 PolarHBondContact OD2-OH 2.65Å; A250-Y252 PolarHBondContact O-N 2.96Å; Y252-K260 CarbonylContact O-C 3.59Å; Y252-K260 VanDerWaalsContact O-CA 3.29Å; Y252-K260 WeakPolarHBondContact O-CA 3.16Å; Y252-T261 PolarHBondContact N-O 2.73Å; Y252-T261 PolarHBondContact O-N 2.85Å; Y252-H263 AromaticContact CD2-CD2 3.36Å; Y252-H263 WeakPolarHBondContact CD2-CD2 3.35Å; Y252-H263 AromaticContact CD2-NE2 3.29Å; Y252-H263 VanDerWaalsContact CD2-NE2 3.29Å; Y252-H263 WeakPolarHBondContact CD2-NE2 3.4Å; Y252-H263 AromaticContact CE2-CD2 3.06Å; Y252-H263 WeakPolarHBondContact CE2-CD2 3.47Å; Y252-H263 AromaticContact CE2-CG 3.83Å; Y252-H263 AromaticContact CE2-NE2 3.25Å; Y252-H263 VanDerWaalsContact CE2-NE2 3.25Å; Y252-H263 WeakPolarHBondContact CE2-NE2 3.38Å
253Y91.5Very high92.4Very high111 Ų11162.4 Ų62.444%0.43532%0.321SS..EExtended strand (participates in β ladder)trans-84.7144.3173.8-70.8-111.1000109.7E237 L257 H259 K260E237-Y253 HydrophobicContact CG-CE1 4.39Å; Y253-L257 HydrophobicContact CD1-CD2 4.12Å; Y253-L257 HydrophobicContact CG-CD2 4.16Å; Y253-H259 WeakPolarHBondContact CA-O 3.34Å; Y253-K260 HydrophobicContact CD1-CD 4.49Å; Y253-K260 HydrophobicContact CD1-CG 3.88Å; Y253-K260 HydrophobicContact CD2-CG 4.36Å; Y253-K260 HydrophobicContact CE1-CD 3.99Å; Y253-K260 HydrophobicContact CE1-CG 3.87Å; Y253-K260 HydrophobicContact CE2-CD 4.24Å; Y253-K260 HydrophobicContact CE2-CG 4.3Å; Y253-K260 HydrophobicContact CG-CG 4.15Å; Y253-K260 WeakPolarHBondContact OH-CE 3.4Å; Y253-K260 PolarHBondContact OH-NZ 3.22Å
254T89.6Confident92.4Very high39 Ų3962.8 Ų62.824%0.23932%0.322CS..PPolyproline II helixtrans-64.3160.116750.50000110.6T234 D256 L257 H259T234-T254 HydrophobicContact CG2-CG2 4.46Å; T254-D256 WeakPolarHBondContact CB-OD1 3.36Å; T254-D256 PolarHBondContact O-N 3.36Å; T254-D256 VanDerWaalsContact O-N 3.13Å; T254-D256 PolarHBondContact OG1-OD1 2.93Å; T254-L257 WeakPolarHBondContact O-CA 3.43Å; T254-L257 PolarHBondContact O-N 3.02Å; T254-H259 HydrophobicContact CG2-CB 3.78Å; T254-H259 PolarHBondContact N-O 2.85Å; T254-H259 PolarHBondContact OG1-N 3.28Å; T254-H259 VanDerWaalsContact OG1-N 3.14Å; T254-H259 PolarHBondContact OG1-O 3.41Å
255E88.1Confident92.4Very high209 Ų20965.9 Ų65.998%0.97734%0.335SS*.THydrogen-bonded Turntrans-58.7-28.9-175.9-65.9-173.9169.400113.4L257E255-L257 VanDerWaalsContact C-N 3.31Å
256D90.5Very high92.4Very high99 Ų9965.9 Ų65.953%0.52933%0.334SS..THydrogen-bonded Turntrans-84.9-2.6176.867.6-18000113.7T254 T258T254-D256 WeakPolarHBondContact CB-OD1 3.36Å; T254-D256 PolarHBondContact O-N 3.36Å; T254-D256 VanDerWaalsContact O-N 3.13Å; T254-D256 PolarHBondContact OG1-OD1 2.93Å; D256-T258 HydrophobicContact CB-CG2 4.24Å; D256-T258 PolarHBondContact O-N 3.34Å; D256-T258 VanDerWaalsContact O-N 3.13Å; D256-T258 PolarHBondContact OD1-N 3.22Å; D256-T258 PolarHBondContact OD1-OG1 3.32Å; D256-T258 WeakPolarHBondContact OD2-CG2 3.36Å; D256-T258 PolarHBondContact OD2-OG1 2.91Å
257L88.7Confident92.3Very high106 Ų10663 Ų6356%0.55532%0.324SS*.SBendtrans60.210-177.1-57.4173.4000115.1Y253 T254 E255Y253-L257 HydrophobicContact CD1-CD2 4.12Å; Y253-L257 HydrophobicContact CG-CD2 4.16Å; T254-L257 WeakPolarHBondContact O-CA 3.43Å; T254-L257 PolarHBondContact O-N 3.02Å; E255-L257 VanDerWaalsContact C-N 3.31Å
258T91Very high92.2Very high60 Ų6060.1 Ų60.137%0.36831%0.308SS..SBendtrans-85.2-22.5-176.667.40000113.1E237 D256E237-T258 PolarHBondContact N-O 2.89Å; D256-T258 HydrophobicContact CB-CG2 4.24Å; D256-T258 PolarHBondContact O-N 3.34Å; D256-T258 VanDerWaalsContact O-N 3.13Å; D256-T258 PolarHBondContact OD1-N 3.22Å; D256-T258 PolarHBondContact OD1-OG1 3.32Å; D256-T258 WeakPolarHBondContact OD2-CG2 3.36Å; D256-T258 PolarHBondContact OD2-OG1 2.91Å
259H94.4Very high92.4Very high28 Ų2856.3 Ų56.313%0.1329%0.289CS..EExtended strand (participates in β ladder)trans-128.2158.9-178.3-65.773.7000111.4T234 V235 F236 Y253 T254T234-H259 HydrophobicContact CG2-CB 3.82Å; V235-H259 CarbonylContact O-C 3.6Å; V235-H259 WeakPolarHBondContact O-CA 3.37Å; V235-H259 VanDerWaalsContact O-CB 3.28Å; V235-H259 WeakPolarHBondContact O-CB 3.43Å; F236-H259 AromaticContact CD1-CE1 3.74Å; F236-H259 AromaticContact CD1-NE2 3.55Å; F236-H259 AromaticContact CE1-CE1 3.47Å; F236-H259 VanDerWaalsContact CE1-CE1 3.47Å; F236-H259 WeakPolarHBondContact CE1-CE1 3.33Å; F236-H259 AromaticContact CE1-NE2 3.37Å; F236-H259 WeakPolarHBondContact CE1-NE2 2.97Å; F236-H259 AromaticContact CZ-NE2 3.78Å; Y253-H259 WeakPolarHBondContact CA-O 3.34Å; T254-H259 HydrophobicContact CG2-CB 3.78Å; T254-H259 PolarHBondContact N-O 2.85Å; T254-H259 PolarHBondContact OG1-N 3.28Å; T254-H259 VanDerWaalsContact OG1-N 3.14Å; T254-H259 PolarHBondContact OG1-O 3.41Å
260K95.1Very high92.7Very high29 Ų2952.1 Ų52.113%0.12627%0.267CS..EExtended strand (participates in β ladder)trans-125.4140.1172.8-63.8176.4-158.4178.10109.9T234 V235 E237 P251 Y252 Y253 Y262T234-K260 WeakPolarHBondContact CA-O 3.18Å; V235-K260 PolarHBondContact N-O 3.49Å; V235-K260 PolarHBondContact O-N 3.5Å; E237-K260 VanDerWaalsContact CG-CE 3.49Å; E237-K260 WeakPolarHBondContact O-CE 2.88Å; E237-K260 PolarHBondContact O-NZ 3.46Å; P251-K260 HydrophobicContact CB-CB 4.29Å; Y252-K260 CarbonylContact O-C 3.59Å; Y252-K260 VanDerWaalsContact O-CA 3.29Å; Y252-K260 WeakPolarHBondContact O-CA 3.16Å; Y253-K260 HydrophobicContact CD1-CD 4.49Å; Y253-K260 HydrophobicContact CD1-CG 3.88Å; Y253-K260 HydrophobicContact CD2-CG 4.36Å; Y253-K260 HydrophobicContact CE1-CD 3.99Å; Y253-K260 HydrophobicContact CE1-CG 3.87Å; Y253-K260 HydrophobicContact CE2-CD 4.24Å; Y253-K260 HydrophobicContact CE2-CG 4.3Å; Y253-K260 HydrophobicContact CG-CG 4.15Å; Y253-K260 WeakPolarHBondContact OH-CE 3.4Å; Y253-K260 PolarHBondContact OH-NZ 3.22Å; K260-Y262 HydrophobicContact CB-CE2 4.31Å
261T96.5Very high93Very high21 Ų2148.6 Ų48.613%0.12924%0.237CC..EExtended strand (participates in β ladder)trans-110.4124176.1-52.50000110.3V233 T234 P251 Y252 H263V233-T261 WeakPolarHBondContact O-CA 3.33Å; T234-T261 WeakPolarHBondContact OG1-CG2 3.45Å; T234-T261 PolarHBondContact OG1-OG1 3.21Å; P251-T261 VanDerWaalsContact CA-O 3.26Å; P251-T261 WeakPolarHBondContact CA-O 3.27Å; Y252-T261 PolarHBondContact N-O 2.73Å; Y252-T261 PolarHBondContact O-N 2.85Å; T261-H263 WeakPolarHBondContact CG2-NE2 3.34Å
262Y97.3Very high93.2Very high24 Ų2447 Ų479%0.09423%0.227CC..EExtended strand (participates in β ladder)trans-98.1137.4175.4-66.9-101.7000110.1E232 V233 V235 L239 A241 L247 P251 K260 F264E232-Y262 VanDerWaalsContact CA-O 3.3Å; E232-Y262 WeakPolarHBondContact CA-O 3.48Å; V233-Y262 PolarHBondContact N-O 3.45Å; V233-Y262 PolarHBondContact O-N 3.22Å; V235-Y262 HydrophobicContact CG2-CD2 4.18Å; V235-Y262 HydrophobicContact CG2-CE2 3.74Å; L239-Y262 PolarHBondContact O-OH 3.17Å; A241-Y262 HydrophobicContact CB-CD2 3.69Å; A241-Y262 HydrophobicContact CB-CE2 4.11Å; A241-Y262 HydrophobicContact CB-CG 4.04Å; L247-Y262 HydrophobicContact CD1-CD1 4.08Å; P251-Y262 HydrophobicContact CB-CD1 3.93Å; P251-Y262 HydrophobicContact CB-CD2 4.23Å; P251-Y262 HydrophobicContact CB-CE1 3.88Å; P251-Y262 HydrophobicContact CB-CE2 4.19Å; P251-Y262 HydrophobicContact CB-CG 4.11Å; P251-Y262 HydrophobicContact CG-CD1 4.29Å; P251-Y262 HydrophobicContact CG-CE1 3.83Å; K260-Y262 HydrophobicContact CB-CE2 4.31Å; Y262-F264 VanDerWaalsContact CB-CE2 3.47Å; Y262-F264 HydrophobicContact CD1-CZ 4.08Å; Y262-F264 HydrophobicContact CG-CE2 4.29Å; Y262-F264 HydrophobicContact CG-CZ 4.28Å
263H97.1Very high93.3Very high29 Ų2942.8 Ų42.813%0.13421%0.212CC..EExtended strand (participates in β ladder)trans-118.5108.7178-66.4-101.7000110.5E232 I248 Y252 T261E232-H263 WeakPolarHBondContact CG-ND1 3.41Å; E232-H263 IonicContact OE1-CE1 2.68Å; E232-H263 PolarHBondContact OE1-CE1 2.85Å; E232-H263 IonicContact OE1-ND1 3.66Å; E232-H263 PolarHBondContact OE1-ND1 3.24Å; E232-H263 IonicContact OE2-CE1 2.98Å; I248-H263 PolarHBondContact N-O 3.44Å; Y252-H263 AromaticContact CD2-CD2 3.36Å; Y252-H263 WeakPolarHBondContact CD2-CD2 3.35Å; Y252-H263 AromaticContact CD2-NE2 3.29Å; Y252-H263 VanDerWaalsContact CD2-NE2 3.29Å; Y252-H263 WeakPolarHBondContact CD2-NE2 3.4Å; Y252-H263 AromaticContact CE2-CD2 3.06Å; Y252-H263 WeakPolarHBondContact CE2-CD2 3.47Å; Y252-H263 AromaticContact CE2-CG 3.83Å; Y252-H263 AromaticContact CE2-NE2 3.25Å; Y252-H263 VanDerWaalsContact CE2-NE2 3.25Å; Y252-H263 WeakPolarHBondContact CE2-NE2 3.38Å; T261-H263 WeakPolarHBondContact CG2-NE2 3.34Å
264F96.8Very high93.4Very high7 Ų737.7 Ų37.73%0.03119%0.193CC..EExtended strand (participates in β ladder)trans-105.9146.2176.3-54.6-82.7000111.3I231 A241 A243 P244 E246 L247 Y262I231-F264 HydrophobicContact CB-CB 4.24Å; I231-F264 PolarHBondContact N-O 3.33Å; I231-F264 PolarHBondContact O-N 3.25Å; A241-F264 WeakPolarHBondContact O-CZ 3.44Å; A243-F264 HydrophobicContact CB-CB 4.45Å; A243-F264 HydrophobicContact CB-CD2 3.6Å; A243-F264 HydrophobicContact CB-CE2 3.91Å; A243-F264 HydrophobicContact CB-CG 3.98Å; P244-F264 WeakPolarHBondContact O-CB 3.29Å; E246-F264 CarbonylContact O-C 3.47Å; E246-F264 VanDerWaalsContact O-CA 3.24Å; E246-F264 WeakPolarHBondContact O-CA 3.23Å; L247-F264 HydrophobicContact CB-CD1 4.16Å; L247-F264 HydrophobicContact CB-CE1 4.07Å; L247-F264 HydrophobicContact CD1-CD1 4.06Å; L247-F264 HydrophobicContact CD1-CE1 3.72Å; L247-F264 HydrophobicContact CD1-CZ 4.1Å; L247-F264 HydrophobicContact CG-CE1 4.44Å; Y262-F264 VanDerWaalsContact CB-CE2 3.47Å; Y262-F264 HydrophobicContact CD1-CZ 4.08Å; Y262-F264 HydrophobicContact CG-CE2 4.29Å; Y262-F264 HydrophobicContact CG-CZ 4.28Å
265Y95.3Very high93.7Very high66 Ų6635.9 Ų35.926%0.25918%0.182SC..EExtended strand (participates in β ladder)trans-132.7127.7174.7-171.5-102.7000111.5H28 W229 K230 G245 E246 I248H28-Y265 AromaticContact CE1-CE2 3.91Å; W229-Y265 WeakPolarHBondContact O-CA 3.46Å; W229-Y265 VanDerWaalsContact O-CD2 3.25Å; W229-Y265 WeakPolarHBondContact O-CD2 3.31Å; K230-Y265 HydrophobicContact CB-CD2 4.3Å; G245-Y265 CarbonylContact C-O 3.58Å; G245-Y265 VanDerWaalsContact CA-O 3.23Å; G245-Y265 WeakPolarHBondContact CA-O 3.42Å; E246-Y265 PolarHBondContact N-O 3.23Å; E246-Y265 PolarHBondContact O-N 3.47Å; I248-Y265 HydrophobicContact CD1-CG 4.49Å
266V94.5Very high94Very high3 Ų326 Ų262%0.01814%0.136CC..EExtended strand (participates in β ladder)trans-104.199174.2-163.10000108.1W229 I231 P244 Q268 V270W229-V266 HydrophobicContact CB-CB 3.99Å; W229-V266 HydrophobicContact CB-CG2 3.95Å; W229-V266 PolarHBondContact N-O 2.87Å; W229-V266 PolarHBondContact O-N 3.45Å; I231-V266 HydrophobicContact CD1-CG2 4.4Å; P244-V266 HydrophobicContact CB-CG2 3.75Å; V266-Q268 WeakPolarHBondContact CG1-O 3.04Å; V266-V270 HydrophobicContact CG1-CG2 3.94Å
267S89.7Confident94.3Very high34 Ų3421.4 Ų21.424%0.23811%0.111CC..EExtended strand (participates in β ladder)trans-71.6-33.1178.1550000112.7P269S267-P269 WeakPolarHBondContact O-CD 3.42Å
268Q91.7Very high94.7Very high16 Ų1616.4 Ų16.48%0.0759%0.085CC..EExtended strand (participates in β ladder)trans-72.1122.1175.3-179.360.160.300109.8V266 V270 F330 F387 T506V266-Q268 WeakPolarHBondContact CG1-O 3.04Å; Q268-V270 HydrophobicContact CG-CG1 4.21Å; Q268-V270 PolarHBondContact O-N 3.49Å; Q268-F330 HydrophobicContact CB-CD1 4.1Å; Q268-F330 HydrophobicContact CB-CE1 4.02Å; Q268-F330 HydrophobicContact CG-CD1 4.11Å; Q268-F330 HydrophobicContact CG-CE1 3.67Å; Q268-F387 VanDerWaalsContact CD-CE2 3.47Å; Q268-F387 HydrophobicContact CG-CD2 4.07Å; Q268-F387 HydrophobicContact CG-CE2 4.44Å; Q268-F387 VanDerWaalsContact OE1-CE2 3.31Å; Q268-T506 PolarHBondContact NE2-OG1 3.39Å; Q268-T506 VanDerWaalsContact OE1-CG2 3.29Å; Q268-T506 PolarHBondContact OE1-OG1 2.84Å
269P93.3Very high95Very high1 Ų113.5 Ų13.51%0.0067%0.067CC..EExtended strand (participates in β ladder)trans-61.9121.2176.8-23.331.9000111.3P226 C227 T228 S267 T506 I509 M552 I560P226-P269 HydrophobicContact CB-CB 4Å; C227-P269 CarbonylContact O-C 3.56Å; C227-P269 VanDerWaalsContact O-CA 3.3Å; C227-P269 WeakPolarHBondContact O-CA 3.31Å; T228-P269 HydrophobicContact CG2-CG 4.45Å; S267-P269 WeakPolarHBondContact O-CD 3.42Å; P269-T506 VanDerWaalsContact CD-CG2 3.46Å; P269-T506 HydrophobicContact CG-CG2 4.45Å; P269-I509 HydrophobicContact CG-CD1 3.46Å; P269-I509 VanDerWaalsContact CG-CD1 3.46Å; P269-M552 HydrophobicContact CB-CE 4.32Å; P269-M552 HydrophobicContact CB-SD 3.54Å; P269-M552 VanDerWaalsContact CB-SD 3.54Å; P269-M552 HydrophobicContact CG-CE 4.25Å; P269-M552 HydrophobicContact CG-SD 3.65Å; P269-I560 HydrophobicContact CB-CD1 4.48Å
270V94.3Very high95.1Very high0 Ų012.2 Ų12.20%06%0.061CC..EExtended strand (participates in β ladder)trans-140.3153.2-179.9-64.50000109.7C227 W229 V266 Q268 C274 I275 F330 A349C227-V270 PolarHBondContact N-O 2.88Å; C227-V270 VanDerWaalsContact N-O 3.1Å; C227-V270 PolarHBondContact O-N 3Å; W229-V270 PolarHBondContact NE1-O 3.06Å; V266-V270 HydrophobicContact CG1-CG2 3.94Å; Q268-V270 HydrophobicContact CG-CG1 4.21Å; Q268-V270 PolarHBondContact O-N 3.49Å; V270-C274 HydrophobicContact CB-CB 4.01Å; V270-C274 HydrophobicContact CG2-CB 4.35Å; V270-I275 HydrophobicContact CG2-CD1 3.97Å; V270-F330 HydrophobicContact CG1-CE1 4.1Å; V270-F330 HydrophobicContact CG1-CZ 4.44Å; V270-A349 HydrophobicContact CB-CB 4.27Å; V270-A349 HydrophobicContact CG1-CB 3.87Å; V270-A349 HydrophobicContact CG2-CB 3.99Å
271P94.4Very high95.1Very high2 Ų211 Ų111%0.0136%0.057CC..  trans-84.3165.8-177.638.8-42.6000111.6C223 E225 P273 C274 I389C223-P271 WeakPolarHBondContact O-CB 3.39Å; E225-P271 VanDerWaalsContact O-CA 3.27Å; E225-P271 WeakPolarHBondContact O-CA 3.47Å; E225-P271 WeakPolarHBondContact O-CB 3.25Å; P271-P273 VanDerWaalsContact C-CD 3.44Å; P271-P273 VanDerWaalsContact C-N 3.32Å; P271-C274 HydrophobicContact CG-CB 4.29Å; P271-C274 WeakPolarHBondContact O-CB 3.35Å; P271-C274 PolarHBondContact O-N 2.98Å; P271-I389 VanDerWaalsContact CD-CD1 3.43Å; P271-I389 HydrophobicContact CG-CD1 4.25Å; P271-I389 HydrophobicContact CG-CG1 4.37Å; P271-I389 HydrophobicContact CG-CG2 3.97Å
272A94.9Very high95Very high2 Ų210.6 Ų10.62%0.0175%0.053CC..G310 helixtrans-54.3-36.5179.300000114.6S214 F218 C220 W229 C274 I275S214-A272 VanDerWaalsContact OG-C 3.28Å; S214-A272 PolarHBondContact OG-O 3.39Å; F218-A272 HydrophobicContact CZ-CB 4.3Å; C220-A272 HydrophobicContact CB-CB 3.87Å; W229-A272 HydrophobicContact CH2-CB 3.78Å; W229-A272 VanDerWaalsContact CZ2-CA 3.48Å; W229-A272 HydrophobicContact CZ2-CB 3.8Å; A272-C274 PolarHBondContact O-N 2.75Å; A272-I275 WeakPolarHBondContact O-CB 3.38Å; A272-I275 PolarHBondContact O-N 3.35Å
273P93.7Very high94.9Very high12 Ų1212 Ų128%0.0786%0.06CC..G310 helixtrans-61.3-18.9173-27.237.8000115.1F209 S214 P271 I275F209-P273 WeakPolarHBondContact CD2-O 3.45Å; F209-P273 WeakPolarHBondContact CE2-O 3.46Å; S214-P273 WeakPolarHBondContact OG-CA 3.39Å; P271-P273 VanDerWaalsContact C-CD 3.44Å; P271-P273 VanDerWaalsContact C-N 3.32Å; P273-I275 VanDerWaalsContact C-N 3.3Å
274C95Very high94.9Very high5 Ų514.7 Ų14.73%0.0348%0.075CC..G310 helixtrans-89.24.6176.1-69.10000113.1V270 P271 A272 F348 A349V270-C274 HydrophobicContact CB-CB 4.01Å; V270-C274 HydrophobicContact CG2-CB 4.35Å; P271-C274 HydrophobicContact CG-CB 4.29Å; P271-C274 WeakPolarHBondContact O-CB 3.35Å; P271-C274 PolarHBondContact O-N 2.98Å; A272-C274 PolarHBondContact O-N 2.75Å; C274-F348 WeakPolarHBondContact O-CB 3.49Å; C274-A349 HydrophobicContact CB-CB 4.28Å; C274-A349 PolarHBondContact O-N 3.46Å
275I95.6Very high94.8Very high1 Ų115.7 Ų15.71%0.0058%0.08CC..  trans-99.7123.6174.9-53.8-54.9000109.7W217 W229 I231 P244 V270 A272 P273 F348W217-I275 HydrophobicContact CZ2-CG2 4.4Å; W229-I275 HydrophobicContact CB-CD1 4.34Å; W229-I275 HydrophobicContact CD2-CD1 3.72Å; W229-I275 HydrophobicContact CD2-CG1 3.6Å; W229-I275 HydrophobicContact CE3-CD1 4.29Å; W229-I275 HydrophobicContact CE3-CG1 3.84Å; W229-I275 HydrophobicContact CG-CD1 3.71Å; W229-I275 HydrophobicContact CG-CG1 4.16Å; W229-I275 HydrophobicContact CH2-CG1 3.98Å; W229-I275 HydrophobicContact CZ2-CG1 3.78Å; W229-I275 HydrophobicContact CZ3-CG1 4.01Å; I231-I275 HydrophobicContact CD1-CD1 4.4Å; I231-I275 HydrophobicContact CD1-CG2 3.87Å; P244-I275 HydrophobicContact CB-CD1 4.39Å; P244-I275 HydrophobicContact CG-CD1 4.42Å; V270-I275 HydrophobicContact CG2-CD1 3.97Å; A272-I275 WeakPolarHBondContact O-CB 3.38Å; A272-I275 PolarHBondContact O-N 3.35Å; P273-I275 VanDerWaalsContact C-N 3.3Å; I275-F348 VanDerWaalsContact C-CD1 3.43Å; I275-F348 WeakPolarHBondContact O-CE1 3.41Å
276G94.8Very high94.8Very high1 Ų116.5 Ų16.51%0.019%0.093CC..  trans-133166.3174.900000110.8T207 P244T207-G276 WeakPolarHBondContact OG1-CA 3.33Å; P244-G276 WeakPolarHBondContact CD-O 3.4Å
277L96.8Very high94.8Very high3 Ų316.7 Ų16.72%0.0169%0.094CC..  trans-141.4138.5177.7179.263.3000109.3I33 F187 F206 T207 W217 V233 A243 V279I33-L277 HydrophobicContact CG1-CD2 4.44Å; F187-L277 HydrophobicContact CE2-CD2 4.18Å; F206-L277 CarbonylContact C-O 3.59Å; F206-L277 VanDerWaalsContact CA-O 3.28Å; F206-L277 WeakPolarHBondContact CA-O 3.31Å; T207-L277 HydrophobicContact CG2-CB 4.09Å; T207-L277 PolarHBondContact N-O 2.91Å; T207-L277 PolarHBondContact OG1-N 3.13Å; T207-L277 PolarHBondContact OG1-O 3.26Å; W217-L277 HydrophobicContact CH2-CB 3.47Å; W217-L277 VanDerWaalsContact CH2-CB 3.47Å; W217-L277 HydrophobicContact CH2-CD2 4.42Å; W217-L277 HydrophobicContact CZ3-CB 3.55Å; W217-L277 HydrophobicContact CZ3-CD2 3.84Å; W217-L277 HydrophobicContact CZ3-CG 4.33Å; V233-L277 HydrophobicContact CG1-CD1 4.29Å; V233-L277 HydrophobicContact CG1-CD2 4.21Å; V233-L277 HydrophobicContact CG2-CD1 3.86Å; V233-L277 HydrophobicContact CG2-CD2 4.41Å; A243-L277 HydrophobicContact CB-CD1 4.2Å; L277-V279 HydrophobicContact CD1-CG2 3.88Å; L277-V279 HydrophobicContact CD2-CG2 4Å; L277-V279 HydrophobicContact CG-CG2 3.87Å
278A97Very high94.9Very high0 Ų020.4 Ų20.40%012%0.117CC..EExtended strand (participates in β ladder)trans-127.6134162.900000109.1A205 F206 V242 F282 V336 I353A205-A278 CarbonylContact O-C 3.55Å; A205-A278 WeakPolarHBondContact O-CA 3.34Å; F206-A278 HydrophobicContact CB-CB 4.34Å; V242-A278 PolarHBondContact N-O 3.44Å; V242-A278 PolarHBondContact O-N 3.5Å; A278-F282 HydrophobicContact CB-CE2 4.26Å; A278-F282 HydrophobicContact CB-CZ 4.43Å; A278-V336 HydrophobicContact CB-CB 4.28Å; A278-V336 HydrophobicContact CB-CG1 3.77Å; A278-V336 HydrophobicContact CB-CG2 4.25Å; A278-I353 HydrophobicContact CB-CD1 4.36Å
279V97.4Very high94.8Very high0 Ų024 Ų240%013%0.13CC..EExtended strand (participates in β ladder)trans-134.4132.3179174.20000108.4I36 F38 H204 A205 V233 V235 V240 A241 L277I36-V279 HydrophobicContact CD1-CB 4.25Å; I36-V279 HydrophobicContact CD1-CG1 4.23Å; I36-V279 HydrophobicContact CD1-CG2 3.79Å; F38-V279 HydrophobicContact CE2-CG1 4.26Å; F38-V279 HydrophobicContact CZ-CG1 4.12Å; H204-V279 CarbonylContact C-O 3.58Å; H204-V279 WeakPolarHBondContact CA-O 3.27Å; A205-V279 PolarHBondContact N-O 3.42Å; A205-V279 PolarHBondContact O-N 2.8Å; V233-V279 HydrophobicContact CG1-CG2 4.11Å; V235-V279 HydrophobicContact CB-CG1 4.19Å; V235-V279 HydrophobicContact CG1-CB 4.46Å; V235-V279 HydrophobicContact CG1-CG1 3.48Å; V235-V279 VanDerWaalsContact CG1-CG1 3.48Å; V235-V279 HydrophobicContact CG1-CG2 4.1Å; V240-V279 CarbonylContact O-C 3.54Å; V240-V279 VanDerWaalsContact O-CA 3.3Å; V240-V279 WeakPolarHBondContact O-CA 3.46Å; A241-V279 HydrophobicContact CB-CG2 4.01Å; L277-V279 HydrophobicContact CD1-CG2 3.88Å; L277-V279 HydrophobicContact CD2-CG2 4Å; L277-V279 HydrophobicContact CG-CG2 3.87Å
280G95.9Very high94.5Very high0 Ų024.8 Ų24.80%013%0.134CC..EExtended strand (participates in β ladder)trans172.6-178.3176.700000114.4V203 V240 F282V203-G280 CarbonylContact O-C 3.48Å; V203-G280 WeakPolarHBondContact O-CA 3.49Å; V240-G280 PolarHBondContact N-O 2.6Å; V240-G280 PolarHBondContact O-N 3.37Å; G280-F282 VanDerWaalsContact C-N 3.29Å; G280-F282 PolarHBondContact O-N 2.97Å
281A94.5Very high93.7Very high4 Ų431.2 Ų31.23%0.03318%0.179CC..SBendtrans-77.282.5173.800000109.3V203 L239V203-A281 PolarHBondContact O-N 2.75Å; L239-A281 HydrophobicContact CD2-CB 4Å
282F95.9Very high92.9Very high12 Ų1233 Ų335%0.05319%0.189CC..EExtended strand (participates in β ladder)trans-107.3135.4-175.9-62-54.3000112.2H204 V240 A278 G280 F297 C298 V336 V338H204-F282 HydrophobicContact CB-CE1 3.89Å; H204-F282 HydrophobicContact CB-CZ 3.73Å; V240-F282 HydrophobicContact CB-CB 4.47Å; V240-F282 HydrophobicContact CB-CD2 4.4Å; A278-F282 HydrophobicContact CB-CE2 4.26Å; A278-F282 HydrophobicContact CB-CZ 4.43Å; G280-F282 VanDerWaalsContact C-N 3.29Å; G280-F282 PolarHBondContact O-N 2.97Å; F282-F297 HydrophobicContact CB-CB 4.09Å; F282-F297 HydrophobicContact CB-CD1 4.34Å; F282-F297 HydrophobicContact CG-CB 4.21Å; F282-C298 CarbonylContact C-O 3.57Å; F282-C298 VanDerWaalsContact CA-O 3.22Å; F282-C298 WeakPolarHBondContact CA-O 3.24Å; F282-V336 HydrophobicContact CE1-CG1 4.09Å; F282-V336 HydrophobicContact CE2-CG1 4.07Å; F282-V336 HydrophobicContact CZ-CG1 3.76Å; F282-V338 HydrophobicContact CZ-CG1 4.4Å
283E95Very high92.1Very high53 Ų5335.5 Ų35.525%0.24821%0.214CC..EExtended strand (participates in β ladder)trans-72.3136.8159.4-76.2171.5172.300109.6F297 C298 G301 L302 L303E283-F297 WeakPolarHBondContact O-CA 3.24Å; E283-C298 PolarHBondContact N-O 2.91Å; E283-C298 PolarHBondContact O-N 3.43Å; E283-G301 VanDerWaalsContact CD-N 3.28Å; E283-G301 PolarHBondContact OE1-N 3.21Å; E283-G301 PolarHBondContact OE2-N 3.17Å; E283-L302 PolarHBondContact OE2-N 3.21Å; E283-L303 HydrophobicContact CB-CD1 4.26Å; E283-L303 VanDerWaalsContact OE2-CB 3.24Å; E283-L303 WeakPolarHBondContact OE2-CB 3.33Å; E283-L303 PolarHBondContact OE2-N 3.2Å; E283-L303 VanDerWaalsContact OE2-N 3.13Å
284I95.5Very high92Very high87 Ų8735 Ų3545%0.44621%0.212SC..EExtended strand (participates in β ladder)trans-105126.1-175.7-55.3167000109V240 F297V240-I284 HydrophobicContact CG1-CD1 4.42Å; V240-I284 HydrophobicContact CG2-CD1 4.01Å; V240-I284 HydrophobicContact CG2-CG1 4.38Å; I284-F297 HydrophobicContact CB-CE1 4.42Å; I284-F297 HydrophobicContact CG1-CD1 3.95Å; I284-F297 HydrophobicContact CG1-CE1 3.86Å; I284-F297 HydrophobicContact CG2-CD1 4.47Å; I284-F297 HydrophobicContact CG2-CE1 4Å
285F96.2Very high92Very high28 Ų2836.5 Ų36.512%0.12322%0.22CC..EExtended strand (participates in β ladder)trans-117100.5172.3180-120.9000110.9D287 H296 L303 L306 Q307 I310F285-D287 HydrophobicContact CE1-CB 4.03Å; F285-D287 PolarHBondContact O-N 2.87Å; F285-H296 HydrophobicContact CB-CB 4.46Å; F285-H296 HydrophobicContact CD1-CB 4.37Å; F285-H296 PolarHBondContact N-O 3.29Å; F285-H296 PolarHBondContact O-N 3.36Å; F285-L303 HydrophobicContact CB-CD1 3.75Å; F285-L303 HydrophobicContact CG-CD1 4.46Å; F285-L306 HydrophobicContact CB-CD2 3.64Å; F285-L306 HydrophobicContact CD1-CD2 4.43Å; F285-L306 HydrophobicContact CG-CD2 4.37Å; F285-Q307 HydrophobicContact CD1-CG 4.16Å; F285-Q307 HydrophobicContact CD2-CG 3.73Å; F285-Q307 HydrophobicContact CE1-CG 4.08Å; F285-Q307 HydrophobicContact CE2-CG 3.64Å; F285-Q307 HydrophobicContact CG-CG 4.01Å; F285-Q307 HydrophobicContact CZ-CG 3.83Å; F285-I310 HydrophobicContact CD1-CG2 4.26Å; F285-I310 HydrophobicContact CE1-CG2 4.05Å
286P95.1Very high92.1Very high83 Ų8336.4 Ų36.454%0.53922%0.22SC..EExtended strand (participates in β ladder)trans-69.1120.9166.3-14.430.1000109.3P288 T295P286-P288 WeakPolarHBondContact O-CD 3.42Å; P286-T295 HydrophobicContact CB-CG2 4.32Å
287D93.9Very high92.2Very high6 Ų637 Ų373%0.03222%0.222CC..  trans-87.5107.2-176.8-167.2-16.3000111F285 R289 L290 A294 H296F285-D287 HydrophobicContact CE1-CB 4.03Å; F285-D287 PolarHBondContact O-N 2.87Å; D287-R289 VanDerWaalsContact CG-CZ 3.48Å; D287-R289 PolarHBondContact O-N 3.4Å; D287-R289 VanDerWaalsContact OD1-CB 3.3Å; D287-R289 WeakPolarHBondContact OD1-CB 3.5Å; D287-R289 IonicContact OD1-CZ 3.61Å; D287-R289 PolarHBondContact OD1-N 3.43Å; D287-R289 IonicContact OD1-NE 3.25Å; D287-R289 PolarHBondContact OD1-NE 3.21Å; D287-R289 IonicContact OD1-NH1 2.97Å; D287-R289 IonicContact OD1-NH2 2.75Å; D287-R289 PolarHBondContact OD1-NH2 3.29Å; D287-R289 IonicContact OD2-CZ 3.58Å; D287-R289 IonicContact OD2-NH1 3.95Å; D287-R289 PolarHBondContact OD2-NH1 2.9Å; D287-R289 IonicContact OD2-NH2 2.75Å; D287-R289 PolarHBondContact OD2-NH2 2.83Å; D287-L290 PolarHBondContact O-N 2.99Å; D287-A294 HydrophobicContact CB-CB 4.37Å; D287-A294 PolarHBondContact N-O 2.76Å; D287-H296 IonicContact OD2-CD2 2.83Å; D287-H296 IonicContact OD2-NE2 3.12Å
288P91.6Very high92.2Very high113 Ų11336.9 Ų36.973%0.73422%0.222SC*.THydrogen-bonded Turntrans-71-12.8-178.232-37.3000113.1P286 L290P286-P288 WeakPolarHBondContact O-CD 3.42Å; P288-L290 VanDerWaalsContact C-N 3.26Å
289R90.5Very high92Very high90 Ų9037.6 Ų37.634%0.3423%0.226SC..THydrogen-bonded Turntrans-77.2-16.3179.6-65173.7-84.999.99.2112.3D287 S311D287-R289 VanDerWaalsContact CG-CZ 3.48Å; D287-R289 PolarHBondContact O-N 3.4Å; D287-R289 VanDerWaalsContact OD1-CB 3.3Å; D287-R289 WeakPolarHBondContact OD1-CB 3.5Å; D287-R289 IonicContact OD1-CZ 3.61Å; D287-R289 PolarHBondContact OD1-N 3.43Å; D287-R289 IonicContact OD1-NE 3.25Å; D287-R289 PolarHBondContact OD1-NE 3.21Å; D287-R289 IonicContact OD1-NH1 2.97Å; D287-R289 IonicContact OD1-NH2 2.75Å; D287-R289 PolarHBondContact OD1-NH2 3.29Å; D287-R289 IonicContact OD2-CZ 3.58Å; D287-R289 IonicContact OD2-NH1 3.95Å; D287-R289 PolarHBondContact OD2-NH1 2.9Å; D287-R289 IonicContact OD2-NH2 2.75Å; D287-R289 PolarHBondContact OD2-NH2 2.83Å; R289-S311 VanDerWaalsContact NH1-CA 3.31Å; R289-S311 PolarHBondContact NH1-O 2.69Å
290L87.2Confident91.6Very high19 Ų1941.2 Ų41.210%0.09925%0.246CC..  trans-109.4118.7-178.9-77.2170.3000109.9D287 P288 N292 A294 L313 I317 I333D287-L290 PolarHBondContact O-N 2.99Å; P288-L290 VanDerWaalsContact C-N 3.26Å; L290-N292 WeakPolarHBondContact CB-OD1 3.39Å; L290-N292 PolarHBondContact O-N 3.43Å; L290-A294 HydrophobicContact CB-CB 3.67Å; L290-A294 HydrophobicContact CD1-CB 3.41Å; L290-A294 VanDerWaalsContact CD1-CB 3.41Å; L290-A294 HydrophobicContact CG-CB 4.17Å; L290-L313 HydrophobicContact CD1-CD2 3.87Å; L290-L313 HydrophobicContact CD1-CG 4.39Å; L290-I317 HydrophobicContact CD2-CD1 3.99Å; L290-I333 HydrophobicContact CD1-CG2 4.01Å
291S77.2Confident91.4Very high135 Ų13544.2 Ų44.294%0.94428%0.276SS*.THydrogen-bonded Turntrans-70.4-10.7-177.3540000114.1G293S291-G293 VanDerWaalsContact C-N 3.32Å; S291-G293 PolarHBondContact O-N 2.9Å
292N77.9Confident91.4Very high40 Ų4046.5 Ų46.521%0.21429%0.287CS..THydrogen-bonded Turntrans-92.918.3-174.175.6-22.9000113.4L290 A294 S331 T332L290-N292 WeakPolarHBondContact CB-OD1 3.39Å; L290-N292 PolarHBondContact O-N 3.43Å; N292-A294 VanDerWaalsContact C-N 3.34Å; N292-A294 PolarHBondContact O-N 3.42Å; N292-A294 PolarHBondContact OD1-N 2.84Å; N292-S331 VanDerWaalsContact CB-O 3.32Å; N292-S331 WeakPolarHBondContact CB-O 3.44Å; N292-S331 VanDerWaalsContact O-O 3.08Å; N292-T332 PolarHBondContact O-OG1 3.13Å
293G78.3Confident91.4Very high54 Ų5448.3 Ų48.356%0.55730%0.297SS*.  trans65.435.1179.300000113.4S291 T332S291-G293 VanDerWaalsContact C-N 3.32Å; S291-G293 PolarHBondContact O-N 2.9Å; G293-T332 PolarHBondContact O-OG1 3.34Å
294A90.5Very high91.4Very high2 Ų250.6 Ų50.62%0.01732%0.315CS..  trans-60.6137.2178.600000111.7D287 L290 N292 I333D287-A294 HydrophobicContact CB-CB 4.37Å; D287-A294 PolarHBondContact N-O 2.76Å; L290-A294 HydrophobicContact CB-CB 3.67Å; L290-A294 HydrophobicContact CD1-CB 3.41Å; L290-A294 VanDerWaalsContact CD1-CB 3.41Å; L290-A294 HydrophobicContact CG-CB 4.17Å; N292-A294 VanDerWaalsContact C-N 3.34Å; N292-A294 PolarHBondContact O-N 3.42Å; N292-A294 PolarHBondContact OD1-N 2.84Å; A294-I333 WeakPolarHBondContact CA-O 3.46Å; A294-I333 HydrophobicContact CB-CG2 3.75Å; A294-I333 WeakPolarHBondContact CB-O 3.46Å
295T94.9Very high91.5Very high35 Ų3548.8 Ų48.822%0.21531%0.306CS..EExtended strand (participates in β ladder)trans-132.3132.3178.941.70000109.9P286 F297 I333 K334 C335P286-T295 HydrophobicContact CB-CG2 4.32Å; T295-F297 WeakPolarHBondContact O-CE2 3.3Å; T295-I333 PolarHBondContact N-O 2.96Å; T295-K334 VanDerWaalsContact O-CA 3.23Å; T295-K334 WeakPolarHBondContact O-CA 3.34Å; T295-C335 PolarHBondContact O-N 3.36Å
296H97.4Very high91.5Very high0 Ų047.5 Ų47.50%030%0.301CS..EExtended strand (participates in β ladder)trans-119.2151-178.1-54.1-54.1000110.6F285 D287 L306 L313 C335F285-H296 HydrophobicContact CB-CB 4.46Å; F285-H296 HydrophobicContact CD1-CB 4.37Å; F285-H296 PolarHBondContact N-O 3.29Å; F285-H296 PolarHBondContact O-N 3.36Å; D287-H296 IonicContact OD2-CD2 2.83Å; D287-H296 IonicContact OD2-NE2 3.12Å; H296-L306 HydrophobicContact CB-CD1 4.31Å; H296-L306 HydrophobicContact CB-CD2 3.98Å; H296-L306 HydrophobicContact CB-CG 4.43Å; H296-L313 WeakPolarHBondContact CE1-CD2 3.28Å; H296-C335 CarbonylContact C-O 3.52Å; H296-C335 VanDerWaalsContact CA-O 3.25Å; H296-C335 WeakPolarHBondContact CA-O 3.48Å; H296-C335 VanDerWaalsContact ND1-CB 3.3Å; H296-C335 WeakPolarHBondContact ND1-CB 3.42Å; H296-C335 PolarHBondContact ND1-N 3.26Å
297F97.6Very high91.5Very high14 Ų1447.2 Ų47.26%0.06129%0.292CS..EExtended strand (participates in β ladder)trans-136.4137.2-168-53.6-94.5000110.1V240 V242 F282 E283 I284 T295 K334 C335 V336 F337V240-F297 HydrophobicContact CG1-CD1 4.14Å; V240-F297 HydrophobicContact CG1-CE1 3.87Å; V242-F297 HydrophobicContact CB-CE2 4.48Å; V242-F297 HydrophobicContact CG1-CD2 4.05Å; V242-F297 HydrophobicContact CG1-CE2 3.73Å; V242-F297 HydrophobicContact CG1-CZ 4.24Å; V242-F297 HydrophobicContact CG2-CD1 3.78Å; V242-F297 HydrophobicContact CG2-CD2 3.84Å; V242-F297 HydrophobicContact CG2-CE1 3.76Å; V242-F297 HydrophobicContact CG2-CE2 3.84Å; V242-F297 HydrophobicContact CG2-CG 3.83Å; V242-F297 HydrophobicContact CG2-CZ 3.8Å; F282-F297 HydrophobicContact CB-CB 4.09Å; F282-F297 HydrophobicContact CB-CD1 4.34Å; F282-F297 HydrophobicContact CG-CB 4.21Å; E283-F297 WeakPolarHBondContact O-CA 3.24Å; I284-F297 HydrophobicContact CB-CE1 4.42Å; I284-F297 HydrophobicContact CG1-CD1 3.95Å; I284-F297 HydrophobicContact CG1-CE1 3.86Å; I284-F297 HydrophobicContact CG2-CD1 4.47Å; I284-F297 HydrophobicContact CG2-CE1 4Å; T295-F297 WeakPolarHBondContact O-CE2 3.3Å; F297-K334 HydrophobicContact CE2-CB 4.25Å; F297-K334 HydrophobicContact CE2-CG 4.46Å; F297-C335 PolarHBondContact N-O 3.17Å; F297-V336 HydrophobicContact CB-CB 4.36Å; F297-V336 HydrophobicContact CB-CG1 4.14Å; F297-V336 HydrophobicContact CB-CG2 4.03Å; F297-V336 HydrophobicContact CD2-CG2 3.75Å; F297-V336 HydrophobicContact CG-CG2 4.18Å; F297-V336 WeakPolarHBondContact O-CA 3.5Å; F297-F337 PolarHBondContact O-N 2.88Å
298C96Very high91.6Very high0 Ų051.4 Ų51.40%031%0.308CS..EExtended strand (participates in β ladder)trans-144.9160.7170.7600000110.2F282 E283 L302 L306 F337F282-C298 CarbonylContact C-O 3.57Å; F282-C298 VanDerWaalsContact CA-O 3.22Å; F282-C298 WeakPolarHBondContact CA-O 3.24Å; E283-C298 PolarHBondContact N-O 2.91Å; E283-C298 PolarHBondContact O-N 3.43Å; C298-L302 HydrophobicContact CB-CB 4.33Å; C298-L306 HydrophobicContact CB-CB 4.36Å; C298-L306 HydrophobicContact CB-CD1 4.15Å; C298-L306 HydrophobicContact CB-CD2 4.4Å; C298-F337 HydrophobicContact CB-CB 4.42Å
299P93.3Very high91.9Very high15 Ų1546.1 Ų46.110%0.09727%0.274CS..EExtended strand (participates in β ladder)trans-56.9157.6168.8-2334.5000111.9L302 F337 L356P299-L302 HydrophobicContact CB-CD1 4.34Å; P299-L302 PolarHBondContact O-N 3.36Å; P299-F337 WeakPolarHBondContact CD-O 3.25Å; P299-L356 HydrophobicContact CG-CD1 4.01Å; P299-L356 HydrophobicContact CG-CD2 4.07Å
300N90.3Very high92.2Very high76 Ų7641.9 Ų41.941%0.40626%0.258SS..THydrogen-bonded Turntrans-55.1143.2-177.3-62.4-22.7000113.1S199 L302S199-N300 PolarHBondContact O-ND2 2.94Å; N300-L302 VanDerWaalsContact C-N 3.33Å
301G90.4Very high92.6Very high62 Ų6243.3 Ų43.364%0.63927%0.27SS*.THydrogen-bonded Turntrans82.71.2178.900000115.3E283E283-G301 VanDerWaalsContact CD-N 3.28Å; E283-G301 PolarHBondContact OE1-N 3.21Å; E283-G301 PolarHBondContact OE2-N 3.17Å
302L94.7Very high93.5Very high52 Ų5238 Ų3827%0.27223%0.231SC..  trans-113.42.2-175.2-57.7177.9000113.9E283 C298 P299 N300 T304 L305 L306 L356 L359E283-L302 PolarHBondContact OE2-N 3.21Å; C298-L302 HydrophobicContact CB-CB 4.33Å; P299-L302 HydrophobicContact CB-CD1 4.34Å; P299-L302 PolarHBondContact O-N 3.36Å; N300-L302 VanDerWaalsContact C-N 3.33Å; L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 2.9Å; L302-T304 VanDerWaalsContact O-N 3.17Å; L302-L305 HydrophobicContact CD2-CD1 4.1Å; L302-L305 PolarHBondContact O-N 2.92Å; L302-L305 VanDerWaalsContact O-N 3.09Å; L302-L306 PolarHBondContact O-N 3.39Å; L302-L356 HydrophobicContact CD1-CD2 3.85Å; L302-L359 HydrophobicContact CB-CD1 4.07Å; L302-L359 HydrophobicContact CD1-CD1 3.99Å
303L95.1Very high94.3Very high50 Ų5036 Ų3626%0.26222%0.221SC..Hα-helixtrans-51.2-41.7-177.4-167.364000114E283 F285 L305 L306 Q307E283-L303 HydrophobicContact CB-CD1 4.26Å; E283-L303 VanDerWaalsContact OE2-CB 3.24Å; E283-L303 WeakPolarHBondContact OE2-CB 3.33Å; E283-L303 PolarHBondContact OE2-N 3.2Å; E283-L303 VanDerWaalsContact OE2-N 3.13Å; F285-L303 HydrophobicContact CB-CD1 3.75Å; F285-L303 HydrophobicContact CG-CD1 4.46Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 3.32Å; L303-L306 HydrophobicContact CD1-CD2 4.16Å; L303-L306 WeakPolarHBondContact O-CB 3.23Å; L303-L306 PolarHBondContact O-N 3.07Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.44Å; L303-Q307 PolarHBondContact O-N 3.31Å
304T95.7Very high95.1Very high102 Ų10234.2 Ų34.263%0.62620%0.2SC*.Hα-helixtrans-65.5-38.8-177.655.60000111.9L302 Y308L302-T304 VanDerWaalsContact C-N 3.27Å; L302-T304 PolarHBondContact O-N 2.9Å; L302-T304 VanDerWaalsContact O-N 3.17Å; T304-Y308 PolarHBondContact O-N 3.23Å
305L96.9Very high95.3Very high49 Ų4937 Ų3726%0.25721%0.212SC..Hα-helixtrans-69.4-41.2175-56-178.4000110.8L302 L303 Y308 T309 L359L302-L305 HydrophobicContact CD2-CD1 4.1Å; L302-L305 PolarHBondContact O-N 2.92Å; L302-L305 VanDerWaalsContact O-N 3.09Å; L303-L305 VanDerWaalsContact C-N 3.34Å; L303-L305 PolarHBondContact O-N 3.32Å; L305-Y308 PolarHBondContact O-N 3.29Å; L305-T309 VanDerWaalsContact O-CB 3.23Å; L305-T309 WeakPolarHBondContact O-CB 3.48Å; L305-T309 PolarHBondContact O-N 3.25Å; L305-T309 PolarHBondContact O-OG1 3.46Å; L305-L359 HydrophobicContact CB-CB 4.24Å
306L97Very high95.4Very high0 Ų035.3 Ų35.30%020%0.202CC..Hα-helixtrans-57.6-51.1175.9177.783.3000111.4F285 H296 C298 L302 L303 Y308 T309 I310 F337 L359F285-L306 HydrophobicContact CB-CD2 3.64Å; F285-L306 HydrophobicContact CD1-CD2 4.43Å; F285-L306 HydrophobicContact CG-CD2 4.37Å; H296-L306 HydrophobicContact CB-CD1 4.31Å; H296-L306 HydrophobicContact CB-CD2 3.98Å; H296-L306 HydrophobicContact CB-CG 4.43Å; C298-L306 HydrophobicContact CB-CB 4.36Å; C298-L306 HydrophobicContact CB-CD1 4.15Å; C298-L306 HydrophobicContact CB-CD2 4.4Å; L302-L306 PolarHBondContact O-N 3.39Å; L303-L306 HydrophobicContact CD1-CD2 4.16Å; L303-L306 WeakPolarHBondContact O-CB 3.23Å; L303-L306 PolarHBondContact O-N 3.07Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.17Å; L306-T309 PolarHBondContact O-N 2.73Å; L306-T309 VanDerWaalsContact O-N 3.16Å; L306-I310 WeakPolarHBondContact O-CG2 3.24Å; L306-I310 PolarHBondContact O-N 3.43Å; L306-F337 HydrophobicContact CD1-CD2 3.2Å; L306-F337 HydrophobicContact CD1-CE2 3.24Å; L306-F337 HydrophobicContact CD1-CG 4.2Å; L306-F337 HydrophobicContact CD1-CZ 4.24Å; L306-L359 HydrophobicContact CB-CD2 4.23Å; L306-L359 HydrophobicContact CD1-CD2 4.29Å
307Q96Very high95.4Very high78 Ų7835.7 Ų35.736%0.36420%0.204SC..Hα-helixtrans-57-43.2-177.2-75.5178.210.100112.3F285 L303 S311F285-Q307 HydrophobicContact CD1-CG 4.16Å; F285-Q307 HydrophobicContact CD2-CG 3.73Å; F285-Q307 HydrophobicContact CE1-CG 4.08Å; F285-Q307 HydrophobicContact CE2-CG 3.64Å; F285-Q307 HydrophobicContact CG-CG 4.01Å; F285-Q307 HydrophobicContact CZ-CG 3.83Å; L303-Q307 VanDerWaalsContact O-CG 3.28Å; L303-Q307 WeakPolarHBondContact O-CG 3.44Å; L303-Q307 PolarHBondContact O-N 3.31Å; Q307-S311 PolarHBondContact O-N 3.04Å
308Y95.9Very high95.2Very high94 Ų9440.8 Ų40.837%0.36923%0.228SC..Hα-helixtrans-69.3-48.1175.4-178.8-100.2000111.6T304 L305 L306 I310 S311 H360 P362T304-Y308 PolarHBondContact O-N 3.23Å; L305-Y308 PolarHBondContact O-N 3.29Å; L306-Y308 VanDerWaalsContact C-N 3.3Å; L306-Y308 PolarHBondContact O-N 3.17Å; Y308-I310 VanDerWaalsContact C-N 3.28Å; Y308-I310 PolarHBondContact O-N 2.92Å; Y308-S311 VanDerWaalsContact O-CB 3.28Å; Y308-S311 WeakPolarHBondContact O-CB 3.27Å; Y308-S311 PolarHBondContact O-N 3.28Å; Y308-S311 VanDerWaalsContact O-N 3.11Å; Y308-S311 PolarHBondContact O-OG 2.83Å; Y308-H360 AromaticContact CD1-CD2 3.96Å; Y308-H360 AromaticContact CD1-NE2 3.83Å; Y308-H360 AromaticContact CE1-CD2 3.71Å; Y308-H360 AromaticContact CE1-NE2 3.51Å; Y308-P362 HydrophobicContact CD1-CB 4.44Å; Y308-P362 HydrophobicContact CD2-CB 4Å; Y308-P362 HydrophobicContact CD2-CG 4.46Å; Y308-P362 HydrophobicContact CE1-CB 4.13Å; Y308-P362 HydrophobicContact CE2-CB 3.65Å; Y308-P362 HydrophobicContact CG-CB 4.38Å
309T97.7Very high95.3Very high2 Ų242.1 Ų42.11%0.01223%0.233CC..Hα-helixtrans-59.1-39.5-175.6-61.20000112.2L305 L306 P312 F337 L359 H360 T371 L375L305-T309 VanDerWaalsContact O-CB 3.23Å; L305-T309 WeakPolarHBondContact O-CB 3.48Å; L305-T309 PolarHBondContact O-N 3.25Å; L305-T309 PolarHBondContact O-OG1 3.46Å; L306-T309 PolarHBondContact O-N 2.73Å; L306-T309 VanDerWaalsContact O-N 3.16Å; T309-P312 WeakPolarHBondContact O-CD 3.46Å; T309-F337 HydrophobicContact CG2-CE1 4.1Å; T309-F337 HydrophobicContact CG2-CZ 3.86Å; T309-L359 HydrophobicContact CG2-CD2 4.29Å; T309-H360 PolarHBondContact OG1-N 3.02Å; T309-H360 PolarHBondContact OG1-ND1 3.09Å; T309-H360 PolarHBondContact OG1-O 2.81Å; T309-T371 HydrophobicContact CG2-CG2 3.61Å; T309-L375 WeakPolarHBondContact O-CD1 3.37Å
310I96.5Very high95.5Very high0 Ų041.4 Ų41.40%023%0.229CC..THydrogen-bonded Turntrans-87.5-5.6-177.9-148.259.9000113.5F285 L306 Y308 P312 L313 C335 L375F285-I310 HydrophobicContact CD1-CG2 4.26Å; F285-I310 HydrophobicContact CE1-CG2 4.05Å; L306-I310 WeakPolarHBondContact O-CG2 3.24Å; L306-I310 PolarHBondContact O-N 3.43Å; Y308-I310 VanDerWaalsContact C-N 3.28Å; Y308-I310 PolarHBondContact O-N 2.92Å; I310-P312 VanDerWaalsContact C-N 3.28Å; I310-P312 VanDerWaalsContact O-N 3.13Å; I310-L313 HydrophobicContact CD1-CB 4.21Å; I310-L313 HydrophobicContact CD1-CD1 4.29Å; I310-L313 HydrophobicContact CD1-CD2 3.94Å; I310-L313 HydrophobicContact CD1-CG 4.39Å; I310-L313 HydrophobicContact CG1-CB 4.07Å; I310-L313 HydrophobicContact CG1-CD2 3.88Å; I310-L313 WeakPolarHBondContact O-CB 3.05Å; I310-L313 PolarHBondContact O-N 2.8Å; I310-C335 HydrophobicContact CD1-CB 4.12Å; I310-L375 HydrophobicContact CD1-CD1 4.46Å; I310-L375 HydrophobicContact CD1-CD2 4.17Å
311S95.1Very high95.8Very high50 Ų5040.7 Ų40.735%0.3522%0.223SC..THydrogen-bonded Turntrans-53.7-34.5-176.793.20000115R289 Q307 Y308 L313R289-S311 VanDerWaalsContact NH1-CA 3.31Å; R289-S311 PolarHBondContact NH1-O 2.69Å; Q307-S311 PolarHBondContact O-N 3.04Å; Y308-S311 VanDerWaalsContact O-CB 3.28Å; Y308-S311 WeakPolarHBondContact O-CB 3.27Å; Y308-S311 PolarHBondContact O-N 3.28Å; Y308-S311 VanDerWaalsContact O-N 3.11Å; Y308-S311 PolarHBondContact O-OG 2.83Å; S311-L313 VanDerWaalsContact C-N 3.29Å; S311-L313 PolarHBondContact O-N 3.26Å
312P95.7Very high96.1Very high22 Ų2241.6 Ų41.614%0.14322%0.219CC..THydrogen-bonded Turntrans-76.8-7.7178.6-18.834.9000115T309 I310 S314 E315 M316T309-P312 WeakPolarHBondContact O-CD 3.46Å; I310-P312 VanDerWaalsContact C-N 3.28Å; I310-P312 VanDerWaalsContact O-N 3.13Å; P312-S314 PolarHBondContact O-N 3.4Å; P312-E315 PolarHBondContact O-N 3.27Å; P312-M316 HydrophobicContact CB-CE 3.92Å; P312-M316 WeakPolarHBondContact O-CG 3.49Å; P312-M316 PolarHBondContact O-N 2.96Å; P312-M316 VanDerWaalsContact O-N 3.11Å
313L95.7Very high96.2Very high0 Ų040.9 Ų40.90%022%0.216CC..Hα-helixtrans-61.5-41.4-171.4-170.273.9000112.6L290 H296 I310 S311 M316 I317 I333 V379L290-L313 HydrophobicContact CD1-CD2 3.87Å; L290-L313 HydrophobicContact CD1-CG 4.39Å; H296-L313 WeakPolarHBondContact CE1-CD2 3.28Å; I310-L313 HydrophobicContact CD1-CB 4.21Å; I310-L313 HydrophobicContact CD1-CD1 4.29Å; I310-L313 HydrophobicContact CD1-CD2 3.94Å; I310-L313 HydrophobicContact CD1-CG 4.39Å; I310-L313 HydrophobicContact CG1-CB 4.07Å; I310-L313 HydrophobicContact CG1-CD2 3.88Å; I310-L313 WeakPolarHBondContact O-CB 3.05Å; I310-L313 PolarHBondContact O-N 2.8Å; S311-L313 VanDerWaalsContact C-N 3.29Å; S311-L313 PolarHBondContact O-N 3.26Å; L313-M316 WeakPolarHBondContact O-CB 3.24Å; L313-M316 PolarHBondContact O-N 3.24Å; L313-I317 HydrophobicContact CG-CD1 4.37Å; L313-I317 PolarHBondContact O-N 3.19Å; L313-I317 VanDerWaalsContact O-N 3.11Å; L313-I333 HydrophobicContact CD2-CD1 4.41Å; L313-I333 HydrophobicContact CD2-CG2 4.35Å; L313-V379 HydrophobicContact CD1-CG2 3.35Å
314S94.7Very high96.3Very high15 Ų1538.6 Ų38.611%0.10520%0.203CC..Hα-helixtrans-62.5-45.3178.160.60000111.9P312 M316 I317 E318P312-S314 PolarHBondContact O-N 3.4Å; S314-M316 VanDerWaalsContact C-N 3.28Å; S314-M316 PolarHBondContact O-N 2.9Å; S314-I317 PolarHBondContact O-N 3.16Å; S314-E318 WeakPolarHBondContact O-CG 3.38Å; S314-E318 PolarHBondContact O-N 2.82Å
315E95.5Very high96.4Very high60 Ų6037.2 Ų37.228%0.2820%0.203SC..Hα-helixtrans-60.5-37.4176.6-167.9-160.115300111.9P312 Y319 R372 R413P312-E315 PolarHBondContact O-N 3.27Å; E315-Y319 VanDerWaalsContact O-CB 3.26Å; E315-Y319 WeakPolarHBondContact O-CB 3.45Å; E315-Y319 PolarHBondContact O-N 2.93Å; E315-R372 IonicContact OE1-NH2 3.94Å; E315-R372 PolarHBondContact OE1-NH2 3.5Å; E315-R372 IonicContact OE2-CZ 3.61Å; E315-R372 IonicContact OE2-NH2 3.94Å; E315-R372 PolarHBondContact OE2-NH2 3.04Å; E315-R413 IonicContact OE1-NH2 3.56Å
316M97Very high96.3Very high0 Ų035.3 Ų35.30%019%0.194CC..Hα-helixtrans-64-48.1176.6-69.5169-174.900111.7P312 L313 S314 Y319 Y320 R372 L375 Y410P312-M316 HydrophobicContact CB-CE 3.92Å; P312-M316 WeakPolarHBondContact O-CG 3.49Å; P312-M316 PolarHBondContact O-N 2.96Å; P312-M316 VanDerWaalsContact O-N 3.11Å; L313-M316 WeakPolarHBondContact O-CB 3.24Å; L313-M316 PolarHBondContact O-N 3.24Å; S314-M316 VanDerWaalsContact C-N 3.28Å; S314-M316 PolarHBondContact O-N 2.9Å; M316-Y319 PolarHBondContact O-N 2.81Å; M316-Y320 WeakPolarHBondContact O-CD2 3.43Å; M316-Y320 VanDerWaalsContact O-CG 3.31Å; M316-Y320 PolarHBondContact O-N 2.91Å; M316-R372 HydrophobicContact CE-CB 4.45Å; M316-R372 HydrophobicContact CE-CG 3.56Å; M316-R372 WeakPolarHBondContact CE-O 3.37Å; M316-L375 HydrophobicContact CE-CB 3.77Å; M316-L375 HydrophobicContact SD-CB 3.84Å; M316-Y410 HydrophobicContact CB-CE2 4.19Å; M316-Y410 HydrophobicContact CE-CE1 3.68Å; M316-Y410 HydrophobicContact CG-CD1 4.39Å; M316-Y410 HydrophobicContact CG-CD2 4.24Å; M316-Y410 HydrophobicContact CG-CE1 3.75Å; M316-Y410 HydrophobicContact CG-CE2 3.57Å; M316-Y410 VanDerWaalsContact CG-OH 3.31Å; M316-Y410 WeakPolarHBondContact CG-OH 3.39Å; M316-Y410 HydrophobicContact SD-CE1 4.45Å
317I95.9Very high96.1Very high8 Ų842 Ų424%0.04123%0.225CC..Hα-helixtrans-64.1-50-178.9-67.1173.7000109.9L290 L313 S314 Y319 Y320 E321 Y328 I333 V379L290-I317 HydrophobicContact CD2-CD1 3.99Å; L313-I317 HydrophobicContact CG-CD1 4.37Å; L313-I317 PolarHBondContact O-N 3.19Å; L313-I317 VanDerWaalsContact O-N 3.11Å; S314-I317 PolarHBondContact O-N 3.16Å; I317-Y319 VanDerWaalsContact C-N 3.25Å; I317-Y319 PolarHBondContact O-N 2.96Å; I317-Y320 PolarHBondContact O-N 2.93Å; I317-Y320 VanDerWaalsContact O-N 3.1Å; I317-E321 HydrophobicContact CG2-CG 4.21Å; I317-E321 WeakPolarHBondContact O-CG 3.38Å; I317-E321 PolarHBondContact O-N 3.2Å; I317-Y328 HydrophobicContact CG2-CD2 4.39Å; I317-Y328 HydrophobicContact CG2-CG 4.39Å; I317-I333 HydrophobicContact CD1-CD1 4.04Å; I317-I333 HydrophobicContact CD1-CG2 4.1Å; I317-V379 HydrophobicContact CG1-CG1 3.8Å
318E95.4Very high96Very high121 Ų12139 Ų3957%0.56521%0.21SC*.Hα-helixtrans-55.5-42.1177.4-72.7173.5-170.100111.9S314 S322S314-E318 WeakPolarHBondContact O-CG 3.38Å; S314-E318 PolarHBondContact O-N 2.82Å; E318-S322 WeakPolarHBondContact O-CB 3.47Å; E318-S322 PolarHBondContact O-N 2.81Å; E318-S322 PolarHBondContact O-OG 2.75Å
319Y97.2Very high95.9Very high28 Ų2835.2 Ų35.211%0.1120%0.197CC..Hα-helixtrans-62.9-47.5176.8179.7-112.2000112.2E315 M316 I317 S322 I323 L409 Y410 R413E315-Y319 VanDerWaalsContact O-CB 3.26Å; E315-Y319 WeakPolarHBondContact O-CB 3.45Å; E315-Y319 PolarHBondContact O-N 2.93Å; M316-Y319 PolarHBondContact O-N 2.81Å; I317-Y319 VanDerWaalsContact C-N 3.25Å; I317-Y319 PolarHBondContact O-N 2.96Å; Y319-S322 PolarHBondContact O-N 3.45Å; Y319-S322 PolarHBondContact O-OG 2.77Å; Y319-I323 HydrophobicContact CD1-CD1 4.34Å; Y319-I323 HydrophobicContact CD2-CD1 4.07Å; Y319-I323 HydrophobicContact CD2-CG1 4.29Å; Y319-I323 HydrophobicContact CE1-CD1 3.6Å; Y319-I323 HydrophobicContact CE2-CD1 3.31Å; Y319-I323 HydrophobicContact CE2-CG1 3.95Å; Y319-I323 PolarHBondContact O-N 2.91Å; Y319-I323 WeakPolarHBondContact OH-CD1 3.34Å; Y319-L409 HydrophobicContact CE1-CB 4.31Å; Y319-L409 PolarHBondContact OH-O 2.92Å; Y319-L409 VanDerWaalsContact OH-O 3.04Å; Y319-Y410 AromaticContact CD1-CD2 3.58Å; Y319-Y410 HydrophobicContact CD1-CD2 3.58Å; Y319-Y410 HydrophobicContact CD1-CG 4.21Å; Y319-Y410 HydrophobicContact CE1-CD2 4.15Å; Y319-Y410 HydrophobicContact CE1-CG 4.45Å; Y319-Y410 HydrophobicContact CG-CD2 4.07Å; Y319-R413 HydrophobicContact CE2-CB 4.31Å; Y319-R413 HydrophobicContact CE2-CG 4.39Å
320Y97.7Very high95.6Very high0 Ų036 Ų360%020%0.2CC..Hα-helixtrans-64.6-41.3178.8-65.3-22.2000112.3M316 I317 S322 I323 L324 S376 V379 A380 F383 L406 S407 Y410M316-Y320 WeakPolarHBondContact O-CD2 3.43Å; M316-Y320 VanDerWaalsContact O-CG 3.31Å; M316-Y320 PolarHBondContact O-N 2.91Å; I317-Y320 PolarHBondContact O-N 2.93Å; I317-Y320 VanDerWaalsContact O-N 3.1Å; Y320-S322 VanDerWaalsContact C-N 3.29Å; Y320-S322 PolarHBondContact O-N 2.97Å; Y320-I323 PolarHBondContact O-N 3.11Å; Y320-L324 VanDerWaalsContact O-CB 3.26Å; Y320-L324 WeakPolarHBondContact O-CB 3.42Å; Y320-L324 WeakPolarHBondContact O-CG 2.98Å; Y320-L324 PolarHBondContact O-N 3.1Å; Y320-S376 WeakPolarHBondContact OH-CB 3.42Å; Y320-S376 PolarHBondContact OH-O 3.38Å; Y320-V379 HydrophobicContact CD2-CB 4.47Å; Y320-V379 HydrophobicContact CD2-CG1 3.76Å; Y320-V379 HydrophobicContact CE2-CB 3.96Å; Y320-V379 HydrophobicContact CE2-CG1 3.75Å; Y320-A380 HydrophobicContact CE2-CB 4.11Å; Y320-F383 HydrophobicContact CD2-CD2 4.48Å; Y320-F383 HydrophobicContact CD2-CE2 4.07Å; Y320-L406 HydrophobicContact CD1-CD1 3.6Å; Y320-L406 HydrophobicContact CD1-CD2 3.9Å; Y320-L406 HydrophobicContact CD1-CG 3.55Å; Y320-L406 HydrophobicContact CD2-CD2 4.02Å; Y320-L406 HydrophobicContact CD2-CG 4.47Å; Y320-L406 HydrophobicContact CE1-CD1 3.98Å; Y320-L406 HydrophobicContact CE1-CD2 4.16Å; Y320-L406 HydrophobicContact CE1-CG 3.56Å; Y320-L406 WeakPolarHBondContact CE1-O 3.43Å; Y320-L406 HydrophobicContact CE2-CD2 4.27Å; Y320-L406 HydrophobicContact CE2-CG 4.46Å; Y320-L406 HydrophobicContact CG-CD1 4.23Å; Y320-L406 HydrophobicContact CG-CD2 3.83Å; Y320-L406 HydrophobicContact CG-CG 4.04Å; Y320-S407 WeakPolarHBondContact OH-CA 3.46Å; Y320-Y410 HydrophobicContact CE1-CG 4.47Å
321E96.3Very high95.3Very high61 Ų6138.4 Ų38.429%0.28522%0.217SC..Hα-helixtrans-60-41.8175.5-69.5-173141.700111.9I317 A325 S326 Q327 Y328I317-E321 HydrophobicContact CG2-CG 4.21Å; I317-E321 WeakPolarHBondContact O-CG 3.38Å; I317-E321 PolarHBondContact O-N 3.2Å; E321-A325 VanDerWaalsContact O-CA 3.28Å; E321-A325 WeakPolarHBondContact O-CA 3.45Å; E321-A325 PolarHBondContact O-N 3.08Å; E321-S326 VanDerWaalsContact CA-O 3.28Å; E321-S326 WeakPolarHBondContact CA-O 3.46Å; E321-S326 PolarHBondContact O-N 3.24Å; E321-Q327 WeakPolarHBondContact OE1-CA 3.23Å; E321-Y328 PolarHBondContact OE1-N 3.45Å
322S96.9Very high95.2Very high81 Ų8136.7 Ų36.757%0.56621%0.205SC*.Hα-helixtrans-65.2-43.5178.576.90000112.7E318 Y319 Y320E318-S322 WeakPolarHBondContact O-CB 3.47Å; E318-S322 PolarHBondContact O-N 2.81Å; E318-S322 PolarHBondContact O-OG 2.75Å; Y319-S322 PolarHBondContact O-N 3.45Å; Y319-S322 PolarHBondContact O-OG 2.77Å; Y320-S322 VanDerWaalsContact C-N 3.29Å; Y320-S322 PolarHBondContact O-N 2.97Å
323I96.9Very high95.2Very high38 Ų3835.6 Ų35.620%0.19520%0.198CC..Hα-helixtrans-76.5-40.4-176.4-75.4-163.5000112.1Y319 Y320 A325 L409 L492Y319-I323 HydrophobicContact CD1-CD1 4.34Å; Y319-I323 HydrophobicContact CD2-CD1 4.07Å; Y319-I323 HydrophobicContact CD2-CG1 4.29Å; Y319-I323 HydrophobicContact CE1-CD1 3.6Å; Y319-I323 HydrophobicContact CE2-CD1 3.31Å; Y319-I323 HydrophobicContact CE2-CG1 3.95Å; Y319-I323 PolarHBondContact O-N 2.91Å; Y319-I323 WeakPolarHBondContact OH-CD1 3.34Å; Y320-I323 PolarHBondContact O-N 3.11Å; I323-A325 PolarHBondContact O-N 2.81Å; I323-L409 HydrophobicContact CD1-CD1 4.49Å; I323-L409 HydrophobicContact CG2-CD1 4.22Å; I323-L492 HydrophobicContact CG2-CD1 3.81Å; I323-L492 HydrophobicContact CG2-CD2 3.45Å; I323-L492 VanDerWaalsContact CG2-CD2 3.45Å; I323-L492 HydrophobicContact CG2-CG 4.27Å
324L97.1Very high95.2Very high1 Ų136.1 Ų36.11%0.00520%0.2CC..Hα-helixtrans-79-11.2178.2-63.7171.8000111.8Y320 S326 F383 F384 L406 L495 N496 L499Y320-L324 VanDerWaalsContact O-CB 3.26Å; Y320-L324 WeakPolarHBondContact O-CB 3.42Å; Y320-L324 WeakPolarHBondContact O-CG 2.98Å; Y320-L324 PolarHBondContact O-N 3.1Å; L324-S326 PolarHBondContact O-N 2.87Å; L324-F383 HydrophobicContact CD1-CD1 3.73Å; L324-F383 HydrophobicContact CD1-CE1 3.93Å; L324-F383 HydrophobicContact CD1-CG 4.11Å; L324-F383 HydrophobicContact CD1-CZ 4.48Å; L324-F384 HydrophobicContact CD2-CE2 4.45Å; L324-F384 HydrophobicContact CD2-CZ 4.3Å; L324-L406 HydrophobicContact CD1-CD1 4.29Å; L324-L406 HydrophobicContact CD1-CD2 3.91Å; L324-L406 HydrophobicContact CD2-CD1 4.25Å; L324-L406 HydrophobicContact CG-CD1 4.21Å; L324-L495 HydrophobicContact CD2-CB 4.03Å; L324-L495 HydrophobicContact CD2-CD1 4.08Å; L324-N496 WeakPolarHBondContact O-CB 3.1Å; L324-N496 PolarHBondContact O-ND2 2.91Å; L324-L499 HydrophobicContact CB-CD1 3.99Å; L324-L499 HydrophobicContact CD1-CD1 3.95Å; L324-L499 HydrophobicContact CD2-CD1 4.23Å; L324-L499 HydrophobicContact CG-CD1 4.29Å
325A97Very high95.3Very high74 Ų7435.4 Ų35.461%0.61220%0.195SC*.THydrogen-bonded Turntrans47.442-17000000111.7E321 I323 N496E321-A325 VanDerWaalsContact O-CA 3.28Å; E321-A325 WeakPolarHBondContact O-CA 3.45Å; E321-A325 PolarHBondContact O-N 3.08Å; I323-A325 PolarHBondContact O-N 2.81Å; A325-N496 WeakPolarHBondContact CB-ND2 3.36Å; A325-N496 PolarHBondContact O-ND2 2.84Å
326S94.6Very high95.4Very high9 Ų932.6 Ų32.66%0.06318%0.182CC..SBendtrans-148.7132-176.3172.80000109.1E321 L324 R503E321-S326 VanDerWaalsContact CA-O 3.28Å; E321-S326 WeakPolarHBondContact CA-O 3.46Å; E321-S326 PolarHBondContact O-N 3.24Å; L324-S326 PolarHBondContact O-N 2.87Å; S326-R503 PolarHBondContact OG-NH1 3.1Å
327Q93.4Very high95.4Very high139 Ų13932.6 Ų32.665%0.6518%0.182SC*.  trans-59.1160.5174.8-68.7174-12.900112E321 R503E321-Q327 WeakPolarHBondContact OE1-CA 3.23Å; Q327-R503 PolarHBondContact O-NH2 2.7Å
328Y94.5Very high95.3Very high16 Ų1632.2 Ų32.26%0.06318%0.18CC..  trans-54.2136.4168.5-175.3-109.1000109.9I317 E321 F330 I333 Q382 F383 R503I317-Y328 HydrophobicContact CG2-CD2 4.39Å; I317-Y328 HydrophobicContact CG2-CG 4.39Å; E321-Y328 PolarHBondContact OE1-N 3.45Å; Y328-F330 HydrophobicContact CD1-CB 4.42Å; Y328-F330 WeakPolarHBondContact CD1-O 3.25Å; Y328-F330 HydrophobicContact CE1-CB 3.77Å; Y328-F330 HydrophobicContact CE1-CD2 4.22Å; Y328-F330 AromaticContact CZ-CD2 3.98Å; Y328-I333 HydrophobicContact CE1-CB 4.09Å; Y328-I333 HydrophobicContact CE2-CD1 4.34Å; Y328-Q382 HydrophobicContact CE2-CB 3.75Å; Y328-Q382 HydrophobicContact CE2-CG 4.14Å; Y328-Q382 PolarHBondContact OH-OE1 3.03Å; Y328-Q382 VanDerWaalsContact OH-OE1 3.1Å; Y328-F383 AromaticContact CD2-CE2 3.83Å; Y328-F383 HydrophobicContact CD2-CE2 3.83Å; Y328-F383 AromaticContact CD2-CZ 3.85Å; Y328-F383 HydrophobicContact CD2-CZ 3.85Å; Y328-F383 HydrophobicContact CE2-CE2 4.37Å; Y328-R503 PolarHBondContact O-NH2 3.44Å
329P92.5Very high95Very high15 Ų1529.2 Ų29.210%0.09717%0.168CC..SBendtrans-75.2-25-16825.3-34000114.8F383 F387P329-F383 HydrophobicContact CG-CD1 4.33Å; P329-F387 HydrophobicContact CB-CB 3.57Å; P329-F387 HydrophobicContact CB-CD1 3.57Å; P329-F387 HydrophobicContact CB-CD2 3.65Å; P329-F387 HydrophobicContact CB-CE1 4.11Å; P329-F387 HydrophobicContact CB-CE2 4.19Å; P329-F387 HydrophobicContact CB-CG 3.3Å; P329-F387 HydrophobicContact CB-CZ 4.39Å; P329-F387 HydrophobicContact CG-CB 3.7Å; P329-F387 HydrophobicContact CG-CD1 4.24Å; P329-F387 HydrophobicContact CG-CG 3.99Å
330F93.2Very high94.2Very high18 Ų1828.6 Ų28.68%0.07917%0.167CC..SBendtrans-105.8160-179.1-53.1-76.7000111.2Q268 V270 Y328 A349 Q382 C386 F387Q268-F330 HydrophobicContact CB-CD1 4.1Å; Q268-F330 HydrophobicContact CB-CE1 4.02Å; Q268-F330 HydrophobicContact CG-CD1 4.11Å; Q268-F330 HydrophobicContact CG-CE1 3.67Å; V270-F330 HydrophobicContact CG1-CE1 4.1Å; V270-F330 HydrophobicContact CG1-CZ 4.44Å; Y328-F330 HydrophobicContact CD1-CB 4.42Å; Y328-F330 WeakPolarHBondContact CD1-O 3.25Å; Y328-F330 HydrophobicContact CE1-CB 3.77Å; Y328-F330 HydrophobicContact CE1-CD2 4.22Å; Y328-F330 AromaticContact CZ-CD2 3.98Å; F330-A349 HydrophobicContact CE1-CB 3.77Å; F330-A349 HydrophobicContact CZ-CB 3.88Å; F330-Q382 HydrophobicContact CE2-CB 4.36Å; F330-C386 HydrophobicContact CE2-CB 3.93Å; F330-C386 HydrophobicContact CZ-CB 3.76Å; F330-F387 HydrophobicContact CE2-CB 4.46Å; F330-F387 HydrophobicContact CZ-CB 4.27Å
331S89.5Confident93.6Very high51 Ų5128.7 Ų28.736%0.35717%0.168SC..SBendtrans-77.6-23.3-178.147.40000114.5E246 N292E246-S331 VanDerWaalsContact CD-OG 3.24Å; E246-S331 WeakPolarHBondContact CG-OG 3.42Å; E246-S331 WeakPolarHBondContact OE1-CB 3.47Å; E246-S331 PolarHBondContact OE1-OG 3.17Å; N292-S331 VanDerWaalsContact CB-O 3.32Å; N292-S331 WeakPolarHBondContact CB-O 3.44Å; N292-S331 VanDerWaalsContact O-O 3.08Å
332T92.5Very high92.7Very high13 Ų1326.9 Ų26.98%0.0816%0.159CC..  trans-139.9165.9174.5-173.20000109.7N292 G293 S350N292-T332 PolarHBondContact O-OG1 3.13Å; G293-T332 PolarHBondContact O-OG1 3.34Å; T332-S350 VanDerWaalsContact O-CB 3.23Å; T332-S350 WeakPolarHBondContact O-CB 3.22Å
333I95Very high92.2Very high0 Ų024.8 Ų24.80%014%0.144CC..  trans-132.7131.2169.2-171.3171.9000109L290 A294 T295 L313 I317 Y328 S350 I352 V379L290-I333 HydrophobicContact CD1-CG2 4.01Å; A294-I333 WeakPolarHBondContact CA-O 3.46Å; A294-I333 HydrophobicContact CB-CG2 3.75Å; A294-I333 WeakPolarHBondContact CB-O 3.46Å; T295-I333 PolarHBondContact N-O 2.96Å; L313-I333 HydrophobicContact CD2-CD1 4.41Å; L313-I333 HydrophobicContact CD2-CG2 4.35Å; I317-I333 HydrophobicContact CD1-CD1 4.04Å; I317-I333 HydrophobicContact CD1-CG2 4.1Å; Y328-I333 HydrophobicContact CE1-CB 4.09Å; Y328-I333 HydrophobicContact CE2-CD1 4.34Å; I333-S350 CarbonylContact C-O 3.58Å; I333-S350 WeakPolarHBondContact CA-O 3.32Å; I333-I352 HydrophobicContact CD1-CD1 3.98Å; I333-V379 HydrophobicContact CD1-CG2 4.46Å
334K96.6Very high91.9Very high11 Ų1128 Ų285%0.04816%0.157CC..EExtended strand (participates in β ladder)trans-118.2137.2179.6-55.3175.3-160.3166.50109.4V242 A243 G245 T295 F297 S350 L351 I352V242-K334 HydrophobicContact CG1-CB 4.17Å; V242-K334 HydrophobicContact CG1-CD 3.73Å; A243-K334 PolarHBondContact O-NZ 3.37Å; G245-K334 WeakPolarHBondContact O-CE 3.48Å; G245-K334 PolarHBondContact O-NZ 3.47Å; T295-K334 VanDerWaalsContact O-CA 3.23Å; T295-K334 WeakPolarHBondContact O-CA 3.34Å; F297-K334 HydrophobicContact CE2-CB 4.25Å; F297-K334 HydrophobicContact CE2-CG 4.46Å; K334-S350 PolarHBondContact N-O 2.86Å; K334-L351 HydrophobicContact CB-CD1 4.03Å; K334-L351 CarbonylContact O-C 3.51Å; K334-L351 WeakPolarHBondContact O-CA 3.44Å; K334-I352 PolarHBondContact O-N 2.73Å
335C97.4Very high91.8Very high0 Ų030 Ų300%017%0.166CC..EExtended strand (participates in β ladder)trans-123.8124.4172.9-580000109.1T295 H296 F297 I310 I352 L354T295-C335 PolarHBondContact O-N 3.36Å; H296-C335 CarbonylContact C-O 3.52Å; H296-C335 VanDerWaalsContact CA-O 3.25Å; H296-C335 WeakPolarHBondContact CA-O 3.48Å; H296-C335 VanDerWaalsContact ND1-CB 3.3Å; H296-C335 WeakPolarHBondContact ND1-CB 3.42Å; H296-C335 PolarHBondContact ND1-N 3.26Å; F297-C335 PolarHBondContact N-O 3.17Å; I310-C335 HydrophobicContact CD1-CB 4.12Å; C335-I352 CarbonylContact C-O 3.53Å; C335-I352 VanDerWaalsContact CA-O 3.3Å; C335-I352 WeakPolarHBondContact CA-O 3.36Å; C335-L354 HydrophobicContact CB-CD1 4.02Å
336V97.4Very high91.6Very high0 Ų026.7 Ų26.70%014%0.138CC..EExtended strand (participates in β ladder)trans-118.4121.9179.7-175.60000108.2V242 A278 F282 F297 V338 L351 I352 I353 L354V242-V336 HydrophobicContact CB-CG2 3.89Å; V242-V336 HydrophobicContact CG1-CG2 3.68Å; V242-V336 HydrophobicContact CG2-CG2 4.07Å; A278-V336 HydrophobicContact CB-CB 4.28Å; A278-V336 HydrophobicContact CB-CG1 3.77Å; A278-V336 HydrophobicContact CB-CG2 4.25Å; F282-V336 HydrophobicContact CE1-CG1 4.09Å; F282-V336 HydrophobicContact CE2-CG1 4.07Å; F282-V336 HydrophobicContact CZ-CG1 3.76Å; F297-V336 HydrophobicContact CB-CB 4.36Å; F297-V336 HydrophobicContact CB-CG1 4.14Å; F297-V336 HydrophobicContact CB-CG2 4.03Å; F297-V336 HydrophobicContact CD2-CG2 3.75Å; F297-V336 HydrophobicContact CG-CG2 4.18Å; F297-V336 WeakPolarHBondContact O-CA 3.5Å; V336-V338 HydrophobicContact CG1-CG1 3.81Å; V336-L351 HydrophobicContact CG2-CD1 3.7Å; V336-I352 PolarHBondContact N-O 3.05Å; V336-I353 CarbonylContact O-C 3.56Å; V336-I353 WeakPolarHBondContact O-CA 3.26Å; V336-L354 PolarHBondContact O-N 3.38Å
337F97.2Very high91.6Very high0 Ų026.5 Ų26.50%014%0.137CC..EExtended strand (participates in β ladder)trans-91.6127.9173.4-70.3-105.6000109.5F297 C298 P299 L306 T309 L354 S355 L356 L358 L359F297-F337 PolarHBondContact O-N 2.88Å; C298-F337 HydrophobicContact CB-CB 4.42Å; P299-F337 WeakPolarHBondContact CD-O 3.25Å; L306-F337 HydrophobicContact CD1-CD2 3.2Å; L306-F337 HydrophobicContact CD1-CE2 3.24Å; L306-F337 HydrophobicContact CD1-CG 4.2Å; L306-F337 HydrophobicContact CD1-CZ 4.24Å; T309-F337 HydrophobicContact CG2-CE1 4.1Å; T309-F337 HydrophobicContact CG2-CZ 3.86Å; F337-L354 CarbonylContact C-O 3.55Å; F337-L354 WeakPolarHBondContact CA-O 3.22Å; F337-L354 HydrophobicContact CD1-CB 3.81Å; F337-L354 HydrophobicContact CD2-CB 4.45Å; F337-L354 HydrophobicContact CD2-CD1 4.29Å; F337-L354 HydrophobicContact CE1-CB 3.89Å; F337-L354 HydrophobicContact CE1-CD1 3.96Å; F337-L354 HydrophobicContact CE2-CB 4.48Å; F337-L354 HydrophobicContact CE2-CD1 3.63Å; F337-L354 HydrophobicContact CG-CB 4.13Å; F337-L354 HydrophobicContact CZ-CB 4.24Å; F337-L354 HydrophobicContact CZ-CD1 3.46Å; F337-L354 VanDerWaalsContact CZ-CD1 3.46Å; F337-L354 HydrophobicContact CZ-CG 4.46Å; F337-S355 WeakPolarHBondContact CD1-O 3.32Å; F337-L356 HydrophobicContact CB-CD2 3.7Å; F337-L356 HydrophobicContact CB-CG 4.43Å; F337-L358 HydrophobicContact CE1-CB 3.96Å; F337-L359 HydrophobicContact CB-CD1 4.38Å; F337-L359 HydrophobicContact CB-CG 4.49Å; F337-L359 HydrophobicContact CD1-CD1 4.34Å; F337-L359 HydrophobicContact CD1-CD2 3.54Å; F337-L359 HydrophobicContact CD1-CG 3.57Å; F337-L359 HydrophobicContact CD2-CD2 4.2Å; F337-L359 HydrophobicContact CE1-CD2 3.5Å; F337-L359 VanDerWaalsContact CE1-CD2 3.5Å; F337-L359 HydrophobicContact CE1-CG 3.91Å; F337-L359 HydrophobicContact CE2-CD2 4.2Å; F337-L359 HydrophobicContact CG-CD1 4.44Å; F337-L359 HydrophobicContact CG-CD2 3.88Å; F337-L359 HydrophobicContact CG-CG 4.09Å; F337-L359 HydrophobicContact CZ-CD2 3.85Å
338V94Very high91.7Very high0 Ų020.1 Ų20.10%011%0.106CC..EExtended strand (participates in β ladder)trans-130.6147.6-176.7-57.30000111.2F206 F282 V336 A341 I353 L354 L356F206-V338 HydrophobicContact CB-CG1 4.05Å; F206-V338 HydrophobicContact CB-CG2 4.46Å; F206-V338 HydrophobicContact CD1-CB 3.68Å; F206-V338 HydrophobicContact CD1-CG1 4.05Å; F206-V338 HydrophobicContact CD1-CG2 3.72Å; F206-V338 HydrophobicContact CD2-CG2 3.85Å; F206-V338 HydrophobicContact CE1-CB 3.97Å; F206-V338 HydrophobicContact CE1-CG2 3.81Å; F206-V338 HydrophobicContact CE2-CG2 3.94Å; F206-V338 HydrophobicContact CG-CB 4.04Å; F206-V338 HydrophobicContact CG-CG1 4.1Å; F206-V338 HydrophobicContact CG-CG2 3.74Å; F206-V338 HydrophobicContact CZ-CG2 3.92Å; F282-V338 HydrophobicContact CZ-CG1 4.4Å; V336-V338 HydrophobicContact CG1-CG1 3.81Å; V338-A341 HydrophobicContact CG2-CB 4.07Å; V338-I353 HydrophobicContact CB-CG2 4.49Å; V338-I353 HydrophobicContact CG1-CG2 4.11Å; V338-I353 HydrophobicContact CG2-CG2 3.52Å; V338-L354 PolarHBondContact N-O 3.44Å; V338-L356 VanDerWaalsContact C-CG 3.46Å; V338-L356 WeakPolarHBondContact O-CG 3.31Å; V338-L356 PolarHBondContact O-N 2.77Å
339D88.7Confident91.7Very high59 Ų5919.3 Ų19.332%0.31610%0.103SC..THydrogen-bonded Turntrans-76160.7176.5-159.76.7000110.9V190 H204 F206 A341 L356V190-D339 HydrophobicContact CG1-CB 4.27Å; H204-D339 WeakPolarHBondContact NE2-CB 3.39Å; H204-D339 PolarHBondContact NE2-N 3.26Å; F206-D339 WeakPolarHBondContact CE1-O 3.34Å; F206-D339 WeakPolarHBondContact CZ-O 3.49Å; D339-A341 PolarHBondContact O-N 3.27Å; D339-L356 VanDerWaalsContact CA-CD1 3.47Å; D339-L356 HydrophobicContact CB-CD1 3.46Å; D339-L356 VanDerWaalsContact CB-CD1 3.46Å; D339-L356 VanDerWaalsContact N-CD1 3.34Å
340C80.8Confident91.9Very high14 Ų1418.7 Ų18.710%0.09510%0.099CC..THydrogen-bonded Turntrans59.218.6172.9-60.80000114.8V190 F342 S994V190-C340 HydrophobicContact CG2-CB 4.42Å; C340-F342 PolarHBondContact O-N 2.81Å; C340-S994 WeakPolarHBondContact SG-CA 3.39Å; C340-S994 VanDerWaalsContact SG-CB 3.51Å
341A84.3Confident92Very high2 Ų217.9 Ų17.92%0.01710%0.096CC..  trans-63.4134.417600000111.6V338 D339 R997V338-A341 HydrophobicContact CG2-CB 4.07Å; D339-A341 PolarHBondContact O-N 3.27Å; A341-R997 PolarHBondContact O-NH1 3.08Å
342F77.8Confident92.4Very high24 Ų2415.4 Ų15.411%0.1058%0.079CC..SBendtrans-77-24.7178.8-71.1-101.5000114.5Y188 C340 F996 R997Y188-F342 HydrophobicContact CD1-CE2 4.01Å; Y188-F342 HydrophobicContact CD2-CE2 4.44Å; Y188-F342 AromaticContact CE1-CE2 3.38Å; Y188-F342 HydrophobicContact CE1-CE2 3.38Å; Y188-F342 AromaticContact CE1-CZ 3.75Å; Y188-F342 HydrophobicContact CE1-CZ 3.75Å; Y188-F342 HydrophobicContact CE2-CD2 4.41Å; Y188-F342 AromaticContact CE2-CE2 3.9Å; Y188-F342 HydrophobicContact CE2-CE2 3.9Å; Y188-F342 HydrophobicContact CG-CE2 4.48Å; Y188-F342 AromaticContact CZ-CE2 3.28Å; Y188-F342 AromaticContact CZ-CZ 3.8Å; Y188-F342 WeakPolarHBondContact OH-CE2 3.5Å; C340-F342 PolarHBondContact O-N 2.81Å; F342-F996 VanDerWaalsContact CE1-C 3.43Å; F342-F996 HydrophobicContact CE1-CB 4.04Å; F342-F996 WeakPolarHBondContact CE1-O 3.46Å; F342-F996 HydrophobicContact CE2-CB 4.08Å; F342-F996 HydrophobicContact CZ-CB 3.3Å; F342-F996 HydrophobicContact CZ-CG 4.46Å; F342-R997 HydrophobicContact CD1-CB 4.27Å; F342-R997 HydrophobicContact CE1-CB 4.4Å
343S84.9Confident92.6Very high36 Ų3614.9 Ų14.925%0.2528%0.075SC..SBendtrans-121.3148.9178.363.10000108F345 Q346S343-F345 WeakPolarHBondContact CB-O 3.46Å; S343-F345 PolarHBondContact O-N 3.22Å; S343-F345 PolarHBondContact OG-O 3.18Å; S343-Q346 WeakPolarHBondContact OG-CG 3.27Å; S343-Q346 PolarHBondContact OG-NE2 2.97Å
344K91.8Very high92.7Very high107 Ų10714.9 Ų14.947%0.4658%0.075SC..SBendtrans-61-34.2178.9-61.9-176.7-179.1175.50111.7S355 L358 E370 V374K344-S355 PolarHBondContact O-N 3.4Å; K344-L358 VanDerWaalsContact O-CD1 3.24Å; K344-L358 WeakPolarHBondContact O-CD1 3.29Å; K344-E370 WeakPolarHBondContact CE-OE1 3.39Å; K344-E370 IonicContact NZ-OE1 2.6Å; K344-E370 PolarHBondContact NZ-OE1 3.02Å; K344-V374 HydrophobicContact CB-CG1 4.03Å; K344-V374 HydrophobicContact CB-CG2 4.25Å; K344-V374 HydrophobicContact CD-CG2 3.98Å
345F94.8Very high92.6Very high42 Ų4214.4 Ų14.418%0.1847%0.073CC..EExtended strand (participates in β ladder)trans-147.4162175.777.4-81000111.4S343 I353 L354 V374 L377 A378S343-F345 WeakPolarHBondContact CB-O 3.46Å; S343-F345 PolarHBondContact O-N 3.22Å; S343-F345 PolarHBondContact OG-O 3.18Å; F345-I353 CarbonylContact C-O 3.55Å; F345-I353 WeakPolarHBondContact CA-O 3.27Å; F345-L354 HydrophobicContact CB-CD2 3.6Å; F345-V374 HydrophobicContact CB-CG1 3.91Å; F345-V374 HydrophobicContact CD1-CG1 3.7Å; F345-V374 HydrophobicContact CG-CG1 4.13Å; F345-L377 HydrophobicContact CE1-CD2 3.76Å; F345-L377 HydrophobicContact CE1-CG 4.11Å; F345-L377 HydrophobicContact CZ-CB 4.38Å; F345-L377 HydrophobicContact CZ-CD2 3.73Å; F345-L377 HydrophobicContact CZ-CG 3.71Å; F345-A378 HydrophobicContact CB-CB 3.97Å; F345-A378 HydrophobicContact CD2-CB 3.42Å; F345-A378 VanDerWaalsContact CD2-CB 3.42Å; F345-A378 HydrophobicContact CE2-CB 4.04Å; F345-A378 HydrophobicContact CG-CB 3.76Å
346Q93.4Very high92.4Very high4 Ų415.8 Ų15.82%0.0198%0.081CC..EExtended strand (participates in β ladder)trans-147.4124.4173.2-58.3172.825.400108.4T207 F209 S343 F348 I352 I353T207-Q346 PolarHBondContact O-OE1 3.22Å; F209-Q346 HydrophobicContact CB-CB 3.67Å; F209-Q346 HydrophobicContact CB-CG 3.79Å; F209-Q346 VanDerWaalsContact N-CD 3.31Å; S343-Q346 WeakPolarHBondContact OG-CG 3.27Å; S343-Q346 PolarHBondContact OG-NE2 2.97Å; Q346-F348 HydrophobicContact CB-CE2 4.05Å; Q346-I352 CarbonylContact O-C 3.45Å; Q346-I352 WeakPolarHBondContact O-CA 3.2Å; Q346-I353 HydrophobicContact CB-CB 4.41Å; Q346-I353 PolarHBondContact N-O 3.24Å; Q346-I353 PolarHBondContact O-N 3.31Å
347S94.8Very high92.2Very high6 Ų616.7 Ų16.74%0.0429%0.085CC..EExtended strand (participates in β ladder)trans-104.6112.9-177.8-62.70000109.7A378 C386S347-A378 PolarHBondContact OG-O 2.92Å; S347-C386 PolarHBondContact O-SG 2.87Å; S347-C386 VanDerWaalsContact O-SG 3.41Å
348F95.3Very high92.1Very high4 Ų416.8 Ų16.82%0.0189%0.086CC..EExtended strand (participates in β ladder)trans-100.9170.1166.7-62-77.2000109.1F209 P244 C274 I275 Q346 S350 L351 I353 Q382F209-F348 HydrophobicContact CB-CE1 4.16Å; F209-F348 HydrophobicContact CB-CE2 4.37Å; F209-F348 HydrophobicContact CB-CZ 3.76Å; F209-F348 HydrophobicContact CD2-CD1 4.32Å; F209-F348 AromaticContact CD2-CE1 3.87Å; F209-F348 HydrophobicContact CD2-CE1 3.87Å; F209-F348 HydrophobicContact CD2-CZ 4.34Å; P244-F348 HydrophobicContact CG-CB 4.23Å; C274-F348 WeakPolarHBondContact O-CB 3.49Å; I275-F348 VanDerWaalsContact C-CD1 3.43Å; I275-F348 WeakPolarHBondContact O-CE1 3.41Å; Q346-F348 HydrophobicContact CB-CE2 4.05Å; F348-S350 PolarHBondContact O-N 3.22Å; F348-S350 VanDerWaalsContact O-N 3.1Å; F348-L351 CarbonylContact C-O 3.53Å; F348-L351 WeakPolarHBondContact CA-O 3.32Å; F348-L351 HydrophobicContact CB-CB 4.14Å; F348-L351 HydrophobicContact CB-CG 4.47Å; F348-L351 WeakPolarHBondContact CB-O 3.4Å; F348-L351 HydrophobicContact CD2-CD2 4.4Å; F348-L351 HydrophobicContact CD2-CG 4.48Å; F348-L351 PolarHBondContact N-O 3.21Å; F348-L351 PolarHBondContact O-N 3.49Å; F348-I353 HydrophobicContact CD2-CD1 4.2Å; F348-I353 HydrophobicContact CD2-CG1 4.17Å; F348-I353 HydrophobicContact CE2-CD1 3.73Å; F348-I353 HydrophobicContact CE2-CG1 4.04Å; F348-Q382 PolarHBondContact O-NE2 3.26Å; F348-Q382 PolarHBondContact O-OE1 2.93Å
349A94.4Very high92.3Very high0 Ų017.2 Ų17.20%09%0.088CC..THydrogen-bonded Turntrans-60.1118.8178.200000110.3P244 V270 C274 F330 L351P244-A349 WeakPolarHBondContact CA-O 3.36Å; P244-A349 HydrophobicContact CB-CB 4.34Å; P244-A349 WeakPolarHBondContact CB-O 3.41Å; P244-A349 WeakPolarHBondContact CG-O 3.36Å; V270-A349 HydrophobicContact CB-CB 4.27Å; V270-A349 HydrophobicContact CG1-CB 3.87Å; V270-A349 HydrophobicContact CG2-CB 3.99Å; C274-A349 HydrophobicContact CB-CB 4.28Å; C274-A349 PolarHBondContact O-N 3.46Å; F330-A349 HydrophobicContact CE1-CB 3.77Å; F330-A349 HydrophobicContact CZ-CB 3.88Å; A349-L351 PolarHBondContact O-N 2.89Å
350S95.5Very high92.6Very high2 Ų214.8 Ų14.81%0.0148%0.075CC..THydrogen-bonded Turntrans57.94.2-176.869.30000116.9G245 T332 I333 K334 F348G245-S350 PolarHBondContact N-OG 3.06Å; T332-S350 VanDerWaalsContact O-CB 3.23Å; T332-S350 WeakPolarHBondContact O-CB 3.22Å; I333-S350 CarbonylContact C-O 3.58Å; I333-S350 WeakPolarHBondContact CA-O 3.32Å; K334-S350 PolarHBondContact N-O 2.86Å; F348-S350 PolarHBondContact O-N 3.22Å; F348-S350 VanDerWaalsContact O-N 3.1Å
351L96.5Very high93.3Very high0 Ų015.8 Ų15.80%08%0.082CC..EExtended strand (participates in β ladder)trans-129.8131.5-178.7168.564.6000109.3V242 P244 K334 V336 F348 A349 I353V242-L351 HydrophobicContact CG1-CD1 3.92Å; P244-L351 HydrophobicContact CG-CB 4.29Å; P244-L351 HydrophobicContact CG-CD2 4.42Å; K334-L351 HydrophobicContact CB-CD1 4.03Å; K334-L351 CarbonylContact O-C 3.51Å; K334-L351 WeakPolarHBondContact O-CA 3.44Å; V336-L351 HydrophobicContact CG2-CD1 3.7Å; F348-L351 CarbonylContact C-O 3.53Å; F348-L351 WeakPolarHBondContact CA-O 3.32Å; F348-L351 HydrophobicContact CB-CB 4.14Å; F348-L351 HydrophobicContact CB-CG 4.47Å; F348-L351 WeakPolarHBondContact CB-O 3.4Å; F348-L351 HydrophobicContact CD2-CD2 4.4Å; F348-L351 HydrophobicContact CD2-CG 4.48Å; F348-L351 PolarHBondContact N-O 3.21Å; F348-L351 PolarHBondContact O-N 3.49Å; A349-L351 PolarHBondContact O-N 2.89Å; L351-I353 HydrophobicContact CD1-CG1 4.43Å; L351-I353 HydrophobicContact CD2-CD1 4.49Å; L351-I353 HydrophobicContact CD2-CG1 4.34Å; L351-I353 HydrophobicContact CG-CG1 4.27Å
352I97Very high93.8Very high0 Ų019 Ų190%010%0.103CC..EExtended strand (participates in β ladder)trans-120.1118.2172.6-53.4177.5000108.2I333 K334 C335 V336 Q346 L354 A378 V379 Q382I333-I352 HydrophobicContact CD1-CD1 3.98Å; K334-I352 PolarHBondContact O-N 2.73Å; C335-I352 CarbonylContact C-O 3.53Å; C335-I352 VanDerWaalsContact CA-O 3.3Å; C335-I352 WeakPolarHBondContact CA-O 3.36Å; V336-I352 PolarHBondContact N-O 3.05Å; Q346-I352 CarbonylContact O-C 3.45Å; Q346-I352 WeakPolarHBondContact O-CA 3.2Å; I352-L354 HydrophobicContact CG2-CD1 4.42Å; I352-L354 HydrophobicContact CG2-CD2 3.92Å; I352-L354 HydrophobicContact CG2-CG 3.89Å; I352-A378 HydrophobicContact CD1-CB 4.1Å; I352-A378 HydrophobicContact CG2-CB 3.85Å; I352-V379 HydrophobicContact CD1-CG2 4.25Å; I352-Q382 HydrophobicContact CD1-CG 4.25Å
353I96.7Very high94.7Very high1 Ų123.6 Ų23.61%0.00512%0.119CC..EExtended strand (participates in β ladder)trans-91.7126170.4-58-174.6000107.7F206 A278 V336 V338 F345 Q346 F348 L351F206-I353 HydrophobicContact CB-CD1 4.32Å; F206-I353 HydrophobicContact CD2-CG2 4.46Å; A278-I353 HydrophobicContact CB-CD1 4.36Å; V336-I353 CarbonylContact O-C 3.56Å; V336-I353 WeakPolarHBondContact O-CA 3.26Å; V338-I353 HydrophobicContact CB-CG2 4.49Å; V338-I353 HydrophobicContact CG1-CG2 4.11Å; V338-I353 HydrophobicContact CG2-CG2 3.52Å; F345-I353 CarbonylContact C-O 3.55Å; F345-I353 WeakPolarHBondContact CA-O 3.27Å; Q346-I353 HydrophobicContact CB-CB 4.41Å; Q346-I353 PolarHBondContact N-O 3.24Å; Q346-I353 PolarHBondContact O-N 3.31Å; F348-I353 HydrophobicContact CD2-CD1 4.2Å; F348-I353 HydrophobicContact CD2-CG1 4.17Å; F348-I353 HydrophobicContact CE2-CD1 3.73Å; F348-I353 HydrophobicContact CE2-CG1 4.04Å; L351-I353 HydrophobicContact CD1-CG1 4.43Å; L351-I353 HydrophobicContact CD2-CD1 4.49Å; L351-I353 HydrophobicContact CD2-CG1 4.34Å; L351-I353 HydrophobicContact CG-CG1 4.27Å
354L96.8Very high95.2Very high0 Ų022.1 Ų22.10%011%0.109CC..EExtended strand (participates in β ladder)trans-119.7147.4-174.7-68.6163.4000109.8C335 V336 F337 V338 F345 I352 L358 L375C335-L354 HydrophobicContact CB-CD1 4.02Å; V336-L354 PolarHBondContact O-N 3.38Å; F337-L354 CarbonylContact C-O 3.55Å; F337-L354 WeakPolarHBondContact CA-O 3.22Å; F337-L354 HydrophobicContact CD1-CB 3.81Å; F337-L354 HydrophobicContact CD2-CB 4.45Å; F337-L354 HydrophobicContact CD2-CD1 4.29Å; F337-L354 HydrophobicContact CE1-CB 3.89Å; F337-L354 HydrophobicContact CE1-CD1 3.96Å; F337-L354 HydrophobicContact CE2-CB 4.48Å; F337-L354 HydrophobicContact CE2-CD1 3.63Å; F337-L354 HydrophobicContact CG-CB 4.13Å; F337-L354 HydrophobicContact CZ-CB 4.24Å; F337-L354 HydrophobicContact CZ-CD1 3.46Å; F337-L354 VanDerWaalsContact CZ-CD1 3.46Å; F337-L354 HydrophobicContact CZ-CG 4.46Å; V338-L354 PolarHBondContact N-O 3.44Å; F345-L354 HydrophobicContact CB-CD2 3.6Å; I352-L354 HydrophobicContact CG2-CD1 4.42Å; I352-L354 HydrophobicContact CG2-CD2 3.92Å; I352-L354 HydrophobicContact CG2-CG 3.89Å; L354-L358 HydrophobicContact CB-CD1 4.27Å; L354-L358 HydrophobicContact CD2-CD1 3.71Å; L354-L375 HydrophobicContact CD1-CD2 3.69Å; L354-L375 HydrophobicContact CD2-CD2 4.06Å
355S94.2Very high95.4Very high1 Ų117.6 Ų17.61%0.0079%0.09CC..EExtended strand (participates in β ladder)trans-68.3138.5170.2-1780000110.4F337 K344 D357 L358F337-S355 WeakPolarHBondContact CD1-O 3.32Å; K344-S355 PolarHBondContact O-N 3.4Å; S355-D357 PolarHBondContact O-N 3.02Å; S355-D357 VanDerWaalsContact O-N 3.11Å; S355-D357 WeakPolarHBondContact OG-CB 3.38Å; S355-D357 PolarHBondContact OG-N 3.09Å; S355-D357 VanDerWaalsContact OG-N 3.16Å; S355-D357 PolarHBondContact OG-OD2 2.95Å; S355-L358 WeakPolarHBondContact O-CB 3.24Å; S355-L358 PolarHBondContact O-N 3.49Å
356L94.1Very high95.5Very high30 Ų3017.1 Ų17.116%0.1579%0.089CC..G310 helixtrans-54.8-24.4167.7-78.3173.3000112.7P299 L302 F337 V338 D339 L358 L359P299-L356 HydrophobicContact CG-CD1 4.01Å; P299-L356 HydrophobicContact CG-CD2 4.07Å; L302-L356 HydrophobicContact CD1-CD2 3.85Å; F337-L356 HydrophobicContact CB-CD2 3.7Å; F337-L356 HydrophobicContact CB-CG 4.43Å; V338-L356 VanDerWaalsContact C-CG 3.46Å; V338-L356 WeakPolarHBondContact O-CG 3.31Å; V338-L356 PolarHBondContact O-N 2.77Å; D339-L356 VanDerWaalsContact CA-CD1 3.47Å; D339-L356 HydrophobicContact CB-CD1 3.46Å; D339-L356 VanDerWaalsContact CB-CD1 3.46Å; D339-L356 VanDerWaalsContact N-CD1 3.34Å; L356-L358 PolarHBondContact O-N 3.18Å; L356-L359 HydrophobicContact CD2-CD1 3.49Å; L356-L359 VanDerWaalsContact CD2-CD1 3.49Å; L356-L359 HydrophobicContact CD2-CG 4.36Å; L356-L359 WeakPolarHBondContact O-CB 3.37Å; L356-L359 PolarHBondContact O-N 3.11Å
357D92.9Very high95.7Very high18 Ų1817 Ų1710%0.0969%0.088CC..G310 helixtrans-57.6-18.2175.2-55.9-23.4000112.8S355 Q367 K917 Y953 R997S355-D357 PolarHBondContact O-N 3.02Å; S355-D357 VanDerWaalsContact O-N 3.11Å; S355-D357 WeakPolarHBondContact OG-CB 3.38Å; S355-D357 PolarHBondContact OG-N 3.09Å; S355-D357 VanDerWaalsContact OG-N 3.16Å; S355-D357 PolarHBondContact OG-OD2 2.95Å; D357-Q367 PolarHBondContact O-NE2 3.36Å; D357-Q367 PolarHBondContact O-OE1 2.83Å; D357-K917 WeakPolarHBondContact O-CE 3.13Å; D357-K917 PolarHBondContact O-NZ 2.91Å; D357-Y953 VanDerWaalsContact CG-OH 3.23Å; D357-Y953 PolarHBondContact OD1-OH 2.89Å; D357-R997 IonicContact OD2-CZ 3.77Å; D357-R997 IonicContact OD2-NH1 3.15Å; D357-R997 PolarHBondContact OD2-NH1 2.91Å; D357-R997 IonicContact OD2-NH2 3.85Å; D357-R997 PolarHBondContact OD2-NH2 3.26Å
358L96.6Very high95.8Very high2 Ų217.9 Ų17.91%0.0110%0.096CC..G310 helixtrans-84.8-16.9178.6-63.1179.5000113.2F337 K344 L354 S355 L356 H360 T371 V374F337-L358 HydrophobicContact CE1-CB 3.96Å; K344-L358 VanDerWaalsContact O-CD1 3.24Å; K344-L358 WeakPolarHBondContact O-CD1 3.29Å; L354-L358 HydrophobicContact CB-CD1 4.27Å; L354-L358 HydrophobicContact CD2-CD1 3.71Å; S355-L358 WeakPolarHBondContact O-CB 3.24Å; S355-L358 PolarHBondContact O-N 3.49Å; L356-L358 PolarHBondContact O-N 3.18Å; L358-H360 PolarHBondContact O-N 3.25Å; L358-H360 PolarHBondContact O-ND1 3.41Å; L358-T371 HydrophobicContact CB-CG2 3.89Å; L358-T371 HydrophobicContact CD2-CG2 4.43Å; L358-T371 PolarHBondContact O-OG1 3.45Å; L358-T371 VanDerWaalsContact O-OG1 3.13Å; L358-V374 HydrophobicContact CD1-CB 4.39Å; L358-V374 HydrophobicContact CD1-CG1 3.74Å; L358-V374 HydrophobicContact CD2-CB 4.43Å; L358-V374 HydrophobicContact CD2-CG1 4.49Å; L358-V374 HydrophobicContact CD2-CG2 4.34Å
359L96.4Very high95.8Very high10 Ų1019.6 Ų19.65%0.05211%0.105CC..  trans-67.7131.1178.2-69-178.2000110.6L302 L305 L306 T309 F337 L356 Y916L302-L359 HydrophobicContact CB-CD1 4.07Å; L302-L359 HydrophobicContact CD1-CD1 3.99Å; L305-L359 HydrophobicContact CB-CB 4.24Å; L306-L359 HydrophobicContact CB-CD2 4.23Å; L306-L359 HydrophobicContact CD1-CD2 4.29Å; T309-L359 HydrophobicContact CG2-CD2 4.29Å; F337-L359 HydrophobicContact CB-CD1 4.38Å; F337-L359 HydrophobicContact CB-CG 4.49Å; F337-L359 HydrophobicContact CD1-CD1 4.34Å; F337-L359 HydrophobicContact CD1-CD2 3.54Å; F337-L359 HydrophobicContact CD1-CG 3.57Å; F337-L359 HydrophobicContact CD2-CD2 4.2Å; F337-L359 HydrophobicContact CE1-CD2 3.5Å; F337-L359 VanDerWaalsContact CE1-CD2 3.5Å; F337-L359 HydrophobicContact CE1-CG 3.91Å; F337-L359 HydrophobicContact CE2-CD2 4.2Å; F337-L359 HydrophobicContact CG-CD1 4.44Å; F337-L359 HydrophobicContact CG-CD2 3.88Å; F337-L359 HydrophobicContact CG-CG 4.09Å; F337-L359 HydrophobicContact CZ-CD2 3.85Å; L356-L359 HydrophobicContact CD2-CD1 3.49Å; L356-L359 VanDerWaalsContact CD2-CD1 3.49Å; L356-L359 HydrophobicContact CD2-CG 4.36Å; L356-L359 WeakPolarHBondContact O-CB 3.37Å; L356-L359 PolarHBondContact O-N 3.11Å; L359-Y916 PolarHBondContact O-OH 3.34Å
360H96.3Very high95.9Very high7 Ų722.7 Ų22.73%0.03212%0.12CC..  trans-150.1155.1179.658.7-74.5000111.7Y308 T309 L358 V364 Q367 A368Y308-H360 AromaticContact CD1-CD2 3.96Å; Y308-H360 AromaticContact CD1-NE2 3.83Å; Y308-H360 AromaticContact CE1-CD2 3.71Å; Y308-H360 AromaticContact CE1-NE2 3.51Å; T309-H360 PolarHBondContact OG1-N 3.02Å; T309-H360 PolarHBondContact OG1-ND1 3.09Å; T309-H360 PolarHBondContact OG1-O 2.81Å; L358-H360 PolarHBondContact O-N 3.25Å; L358-H360 PolarHBondContact O-ND1 3.41Å; H360-V364 HydrophobicContact CB-CB 4.3Å; H360-Q367 HydrophobicContact CB-CB 3.95Å; H360-Q367 HydrophobicContact CB-CG 3.78Å; H360-A368 VanDerWaalsContact NE2-CA 3.3Å; H360-A368 WeakPolarHBondContact NE2-CA 3.28Å; H360-A368 WeakPolarHBondContact NE2-CB 3.41Å
361S95.3Very high96Very high35 Ų3522.6 Ų22.625%0.24512%0.119CC..  trans-82.8160.9171.980.10000110R363 V364S361-R363 PolarHBondContact O-N 3.47Å; S361-R363 PolarHBondContact OG-N 3.33Å; S361-V364 PolarHBondContact O-N 3.36Å
362P95Very high96Very high71 Ų7125.3 Ų25.346%0.46113%0.129SC..THydrogen-bonded Turntrans-57.9-13.8173.722.1-34.4000114.2Y308Y308-P362 HydrophobicContact CD1-CB 4.44Å; Y308-P362 HydrophobicContact CD2-CB 4Å; Y308-P362 HydrophobicContact CD2-CG 4.46Å; Y308-P362 HydrophobicContact CE1-CB 4.13Å; Y308-P362 HydrophobicContact CE2-CB 3.65Å; Y308-P362 HydrophobicContact CG-CB 4.38Å
363R95.6Very high96.1Very high119 Ų11927.8 Ų27.845%0.44914%0.14SC..THydrogen-bonded Turntrans-80.1-16.6179.5-49.6-170.872.3173-2.4112.5S361 N858 P859 Y860 S861S361-R363 PolarHBondContact O-N 3.47Å; S361-R363 PolarHBondContact OG-N 3.33Å; R363-N858 PolarHBondContact NH2-O 3.43Å; R363-N858 VanDerWaalsContact NH2-O 3.14Å; R363-P859 VanDerWaalsContact CG-O 3.25Å; R363-P859 WeakPolarHBondContact CG-O 3.37Å; R363-P859 PolarHBondContact NE-O 3.17Å; R363-Y860 CarbonylContact O-C 3.25Å; R363-Y860 VanDerWaalsContact O-CA 3.3Å; R363-Y860 WeakPolarHBondContact O-CA 3.4Å; R363-Y860 WeakPolarHBondContact O-CB 3.27Å; R363-S861 PolarHBondContact O-N 2.79Å
364V96.6Very high96.1Very high6 Ų628.5 Ų28.54%0.03614%0.144CC..  trans-101.299.9-172.3-173.60000111.6H360 S361 Q367 A368 Y864 Y916H360-V364 HydrophobicContact CB-CB 4.3Å; S361-V364 PolarHBondContact O-N 3.36Å; V364-Q367 HydrophobicContact CG1-CB 3.77Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.4Å; V364-Y864 HydrophobicContact CG1-CD2 4.35Å; V364-Y864 HydrophobicContact CG1-CE2 3.74Å; V364-Y916 HydrophobicContact CG1-CD1 3.84Å; V364-Y916 HydrophobicContact CG1-CE1 3.85Å; V364-Y916 HydrophobicContact CG1-CG 4.24Å; V364-Y916 HydrophobicContact CG2-CD2 4Å; V364-Y916 HydrophobicContact CG2-CE2 4.33Å; V364-Y916 HydrophobicContact CG2-CG 4.1Å
365I96.5Very high96.2Very high12 Ų1228.5 Ų28.56%0.06215%0.145CC..Hα-helixtrans-66.3-53.6-174.1-62169.4000112.5Q367 A368 I369 F813 L816 Y819 F820 Y860I365-Q367 PolarHBondContact O-N 3.01Å; I365-A368 WeakPolarHBondContact O-CB 3.36Å; I365-A368 PolarHBondContact O-N 3.23Å; I365-A368 VanDerWaalsContact O-N 3.17Å; I365-I369 HydrophobicContact CG2-CD1 4.31Å; I365-I369 PolarHBondContact O-N 3.14Å; I365-F813 HydrophobicContact CD1-CB 3.69Å; I365-L816 HydrophobicContact CD1-CD2 3.86Å; I365-L816 HydrophobicContact CG1-CD2 4.22Å; I365-L816 HydrophobicContact CG2-CD2 3.64Å; I365-Y819 HydrophobicContact CB-CE1 4.25Å; I365-Y819 HydrophobicContact CD1-CD1 4.18Å; I365-Y819 HydrophobicContact CD1-CE1 4.24Å; I365-Y819 HydrophobicContact CD1-CG 4.31Å; I365-Y819 HydrophobicContact CG2-CD1 4.25Å; I365-Y819 HydrophobicContact CG2-CE1 4.03Å; I365-F820 HydrophobicContact CG2-CZ 4.33Å; I365-Y860 HydrophobicContact CD1-CD1 3.87Å; I365-Y860 HydrophobicContact CD1-CD2 4.15Å; I365-Y860 HydrophobicContact CD1-CE1 4.42Å; I365-Y860 HydrophobicContact CD1-CG 3.71Å; I365-Y860 HydrophobicContact CG1-CD1 3.5Å; I365-Y860 VanDerWaalsContact CG1-CD1 3.5Å; I365-Y860 HydrophobicContact CG1-CE1 3.97Å; I365-Y860 HydrophobicContact CG1-CG 3.88Å
366D96.4Very high96.4Very high31 Ų3128.5 Ų28.517%0.16614%0.144CC..Hα-helixtrans-59.9-47.1-172.1-69.6-119.9000111.8A368 I369 E370 Y819 R823 Y864D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 3.29Å; D366-I369 PolarHBondContact O-N 3.02Å; D366-E370 PolarHBondContact O-N 2.95Å; D366-Y819 WeakPolarHBondContact OD2-CE1 3.39Å; D366-Y819 PolarHBondContact OD2-OH 3.04Å; D366-R823 VanDerWaalsContact CG-NH1 3.32Å; D366-R823 IonicContact OD1-CZ 3.98Å; D366-R823 IonicContact OD1-NH1 3.4Å; D366-R823 PolarHBondContact OD1-NH1 3.34Å; D366-R823 IonicContact OD1-NH2 2.93Å; D366-R823 PolarHBondContact OD1-NH2 3.49Å; D366-R823 IonicContact OD2-NH1 3.65Å; D366-R823 PolarHBondContact OD2-NH1 3.46Å; D366-Y864 HydrophobicContact CB-CD1 4.27Å; D366-Y864 HydrophobicContact CB-CD2 3.86Å; D366-Y864 HydrophobicContact CB-CE1 4.17Å; D366-Y864 HydrophobicContact CB-CE2 3.76Å; D366-Y864 HydrophobicContact CB-CG 4.11Å
367Q96.6Very high96.6Very high1 Ų129.3 Ų29.31%0.00515%0.149CC..Hα-helixtrans-65.1-35.6178.4-169.468.253.700112D357 H360 V364 I365 I369 E370 T371 Y916D357-Q367 PolarHBondContact O-NE2 3.36Å; D357-Q367 PolarHBondContact O-OE1 2.83Å; H360-Q367 HydrophobicContact CB-CB 3.95Å; H360-Q367 HydrophobicContact CB-CG 3.78Å; V364-Q367 HydrophobicContact CG1-CB 3.77Å; I365-Q367 PolarHBondContact O-N 3.01Å; Q367-I369 VanDerWaalsContact C-N 3.32Å; Q367-I369 PolarHBondContact O-N 3.11Å; Q367-E370 PolarHBondContact O-N 3.33Å; Q367-T371 PolarHBondContact NE2-OG1 2.83Å; Q367-T371 VanDerWaalsContact NE2-OG1 3.11Å; Q367-T371 WeakPolarHBondContact O-CB 3.29Å; Q367-T371 PolarHBondContact O-N 3.37Å; Q367-T371 PolarHBondContact O-OG1 2.85Å; Q367-Y916 HydrophobicContact CB-CE1 4.04Å; Q367-Y916 HydrophobicContact CG-CE1 4.35Å; Q367-Y916 VanDerWaalsContact CG-OH 3.26Å; Q367-Y916 WeakPolarHBondContact CG-OH 3.41Å
368A96.4Very high96.8Very high25 Ų2528.4 Ų28.421%0.20714%0.144CC..Hα-helixtrans-61.2-41.8179.600000112.2H360 V364 I365 D366 R372H360-A368 VanDerWaalsContact NE2-CA 3.3Å; H360-A368 WeakPolarHBondContact NE2-CA 3.28Å; H360-A368 WeakPolarHBondContact NE2-CB 3.41Å; V364-A368 WeakPolarHBondContact O-CB 3.45Å; V364-A368 PolarHBondContact O-N 3.4Å; I365-A368 WeakPolarHBondContact O-CB 3.36Å; I365-A368 PolarHBondContact O-N 3.23Å; I365-A368 VanDerWaalsContact O-N 3.17Å; D366-A368 VanDerWaalsContact C-N 3.32Å; D366-A368 PolarHBondContact O-N 3.29Å; A368-R372 VanDerWaalsContact O-CB 3.31Å; A368-R372 WeakPolarHBondContact O-CB 3.47Å; A368-R372 PolarHBondContact O-N 3.31Å
369I96.2Very high96.8Very high40 Ų4028.3 Ų28.321%0.20514%0.143CC..Hα-helixtrans-66.2-48.3177.5-64.4168.6000110.5I365 D366 Q367 R372 K373 F415 F820I365-I369 HydrophobicContact CG2-CD1 4.31Å; I365-I369 PolarHBondContact O-N 3.14Å; D366-I369 PolarHBondContact O-N 3.02Å; Q367-I369 VanDerWaalsContact C-N 3.32Å; Q367-I369 PolarHBondContact O-N 3.11Å; I369-R372 PolarHBondContact O-N 3.05Å; I369-K373 HydrophobicContact CG2-CD 4.46Å; I369-K373 WeakPolarHBondContact O-CG 3.37Å; I369-K373 PolarHBondContact O-N 2.93Å; I369-K373 VanDerWaalsContact O-N 3.13Å; I369-F415 HydrophobicContact CB-CE1 4.45Å; I369-F415 HydrophobicContact CG1-CE1 4.36Å; I369-F415 HydrophobicContact CG2-CE1 3.95Å; I369-F415 HydrophobicContact CG2-CZ 4.12Å; I369-F820 HydrophobicContact CD1-CE2 4.08Å; I369-F820 HydrophobicContact CD1-CZ 3.64Å
370E96.3Very high96.9Very high65 Ų6527.9 Ų27.930%0.30414%0.141SC..Hα-helixtrans-60.6-47.6179.3-179176.2-166.900111.6K344 D366 Q367 R372 K373 V374K344-E370 WeakPolarHBondContact CE-OE1 3.39Å; K344-E370 IonicContact NZ-OE1 2.6Å; K344-E370 PolarHBondContact NZ-OE1 3.02Å; D366-E370 PolarHBondContact O-N 2.95Å; Q367-E370 PolarHBondContact O-N 3.33Å; E370-R372 VanDerWaalsContact C-N 3.33Å; E370-R372 PolarHBondContact O-N 2.83Å; E370-K373 WeakPolarHBondContact O-CB 3.42Å; E370-K373 PolarHBondContact O-N 3.41Å; E370-K373 VanDerWaalsContact O-N 3.16Å; E370-V374 WeakPolarHBondContact O-CG2 3.39Å; E370-V374 PolarHBondContact O-N 2.8Å
371T98Very high97Very high0 Ų028.5 Ų28.50%014%0.144CC..Hα-helixtrans-62.9-41.6-178.4-56.10000111.1T309 L358 Q367 K373 V374 L375T309-T371 HydrophobicContact CG2-CG2 3.61Å; L358-T371 HydrophobicContact CB-CG2 3.89Å; L358-T371 HydrophobicContact CD2-CG2 4.43Å; L358-T371 PolarHBondContact O-OG1 3.45Å; L358-T371 VanDerWaalsContact O-OG1 3.13Å; Q367-T371 PolarHBondContact NE2-OG1 2.83Å; Q367-T371 VanDerWaalsContact NE2-OG1 3.11Å; Q367-T371 WeakPolarHBondContact O-CB 3.29Å; Q367-T371 PolarHBondContact O-N 3.37Å; Q367-T371 PolarHBondContact O-OG1 2.85Å; T371-K373 VanDerWaalsContact C-N 3.33Å; T371-K373 PolarHBondContact O-N 3.04Å; T371-V374 PolarHBondContact O-N 3.4Å; T371-V374 VanDerWaalsContact O-N 3.15Å; T371-L375 HydrophobicContact CG2-CD1 3.96Å; T371-L375 HydrophobicContact CG2-CG 4.11Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 2.83Å
372R97.4Very high97Very high57 Ų5726.9 Ų26.922%0.21513%0.132CC..Hα-helixtrans-64.5-36.1176.8-171.2172-171.3169.4-0.2112.5E315 M316 A368 I369 E370 S376 Y410 V414 F415E315-R372 IonicContact OE1-NH2 3.94Å; E315-R372 PolarHBondContact OE1-NH2 3.5Å; E315-R372 IonicContact OE2-CZ 3.61Å; E315-R372 IonicContact OE2-NH2 3.94Å; E315-R372 PolarHBondContact OE2-NH2 3.04Å; M316-R372 HydrophobicContact CE-CB 4.45Å; M316-R372 HydrophobicContact CE-CG 3.56Å; M316-R372 WeakPolarHBondContact CE-O 3.37Å; A368-R372 VanDerWaalsContact O-CB 3.31Å; A368-R372 WeakPolarHBondContact O-CB 3.47Å; A368-R372 PolarHBondContact O-N 3.31Å; I369-R372 PolarHBondContact O-N 3.05Å; E370-R372 VanDerWaalsContact C-N 3.33Å; E370-R372 PolarHBondContact O-N 2.83Å; R372-S376 WeakPolarHBondContact O-CB 3.47Å; R372-S376 PolarHBondContact O-N 2.84Å; R372-S376 PolarHBondContact O-OG 3.19Å; R372-Y410 HydrophobicContact CG-CE1 4.11Å; R372-Y410 VanDerWaalsContact CZ-OH 3.31Å; R372-Y410 PolarHBondContact NE-OH 3.27Å; R372-Y410 PolarHBondContact NH2-OH 3.44Å; R372-V414 VanDerWaalsContact NH2-CG2 3.3Å; R372-F415 HydrophobicContact CB-CZ 4.05Å; R372-F415 HydrophobicContact CG-CZ 4.1Å
373K97.7Very high97.1Very high52 Ų5223.5 Ų23.523%0.22611%0.11CC..Hα-helixtrans-65.1-38.5172.3-69.2178178.8-178.30111.8I369 E370 T371 S376 L377 Q411 F415 E419I369-K373 HydrophobicContact CG2-CD 4.46Å; I369-K373 WeakPolarHBondContact O-CG 3.37Å; I369-K373 PolarHBondContact O-N 2.93Å; I369-K373 VanDerWaalsContact O-N 3.13Å; E370-K373 WeakPolarHBondContact O-CB 3.42Å; E370-K373 PolarHBondContact O-N 3.41Å; E370-K373 VanDerWaalsContact O-N 3.16Å; T371-K373 VanDerWaalsContact C-N 3.33Å; T371-K373 PolarHBondContact O-N 3.04Å; K373-S376 PolarHBondContact O-OG 3.15Å; K373-L377 PolarHBondContact O-N 3.06Å; K373-Q411 HydrophobicContact CG-CG 4.31Å; K373-F415 HydrophobicContact CD-CE2 4.42Å; K373-F415 HydrophobicContact CG-CD2 4.44Å; K373-F415 HydrophobicContact CG-CE2 3.59Å; K373-F415 HydrophobicContact CG-CZ 4.08Å; K373-E419 IonicContact NZ-OE1 3.44Å; K373-E419 PolarHBondContact NZ-OE1 2.93Å
374V98Very high97.2Very high16 Ų1617.8 Ų17.810%0.0979%0.089CC..Hα-helixtrans-70.8-47.4177.9172.50000111.6K344 F345 L358 E370 T371 S376 L377 A378K344-V374 HydrophobicContact CB-CG1 4.03Å; K344-V374 HydrophobicContact CB-CG2 4.25Å; K344-V374 HydrophobicContact CD-CG2 3.98Å; F345-V374 HydrophobicContact CB-CG1 3.91Å; F345-V374 HydrophobicContact CD1-CG1 3.7Å; F345-V374 HydrophobicContact CG-CG1 4.13Å; L358-V374 HydrophobicContact CD1-CB 4.39Å; L358-V374 HydrophobicContact CD1-CG1 3.74Å; L358-V374 HydrophobicContact CD2-CB 4.43Å; L358-V374 HydrophobicContact CD2-CG1 4.49Å; L358-V374 HydrophobicContact CD2-CG2 4.34Å; E370-V374 WeakPolarHBondContact O-CG2 3.39Å; E370-V374 PolarHBondContact O-N 2.8Å; T371-V374 PolarHBondContact O-N 3.4Å; T371-V374 VanDerWaalsContact O-N 3.15Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 2.74Å; V374-L377 PolarHBondContact O-N 3.25Å; V374-A378 WeakPolarHBondContact O-CB 3.36Å; V374-A378 PolarHBondContact O-N 3.22Å
375L98Very high97Very high1 Ų118.3 Ų18.31%0.00510%0.096CC..Hα-helixtrans-60.4-43177.8-72.4177.5000111.4T309 I310 M316 L354 T371 L377 A378 V379T309-L375 WeakPolarHBondContact O-CD1 3.37Å; I310-L375 HydrophobicContact CD1-CD1 4.46Å; I310-L375 HydrophobicContact CD1-CD2 4.17Å; M316-L375 HydrophobicContact CE-CB 3.77Å; M316-L375 HydrophobicContact SD-CB 3.84Å; L354-L375 HydrophobicContact CD1-CD2 3.69Å; L354-L375 HydrophobicContact CD2-CD2 4.06Å; T371-L375 HydrophobicContact CG2-CD1 3.96Å; T371-L375 HydrophobicContact CG2-CG 4.11Å; T371-L375 WeakPolarHBondContact O-CB 3.43Å; T371-L375 WeakPolarHBondContact O-CG 3.5Å; T371-L375 PolarHBondContact O-N 2.83Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3.34Å; L375-A378 PolarHBondContact O-N 2.84Å; L375-V379 WeakPolarHBondContact O-CG2 3.11Å; L375-V379 PolarHBondContact O-N 3.37Å
376S98Very high97Very high0 Ų017.9 Ų17.90%09%0.093CC..Hα-helixtrans-59.2-41.2178720000111.5Y320 R372 K373 V374 A380 S407 Y410 Q411Y320-S376 WeakPolarHBondContact OH-CB 3.42Å; Y320-S376 PolarHBondContact OH-O 3.38Å; R372-S376 WeakPolarHBondContact O-CB 3.47Å; R372-S376 PolarHBondContact O-N 2.84Å; R372-S376 PolarHBondContact O-OG 3.19Å; K373-S376 PolarHBondContact O-OG 3.15Å; V374-S376 VanDerWaalsContact C-N 3.34Å; V374-S376 PolarHBondContact O-N 2.74Å; S376-A380 WeakPolarHBondContact O-CB 3.28Å; S376-A380 PolarHBondContact O-N 3.4Å; S376-A380 VanDerWaalsContact O-N 3.08Å; S376-S407 PolarHBondContact OG-OG 3.33Å; S376-Y410 VanDerWaalsContact CB-CD1 3.46Å; S376-Q411 PolarHBondContact OG-NE2 3.22Å
377L98.2Very high96.9Very high47 Ų4716.4 Ų16.425%0.2469%0.086CC..Hα-helixtrans-70.2-42.1176.8-175.161.1000112.2F345 K373 V374 L375 V379 A380 H381 A403 S407F345-L377 HydrophobicContact CE1-CD2 3.76Å; F345-L377 HydrophobicContact CE1-CG 4.11Å; F345-L377 HydrophobicContact CZ-CB 4.38Å; F345-L377 HydrophobicContact CZ-CD2 3.73Å; F345-L377 HydrophobicContact CZ-CG 3.71Å; K373-L377 PolarHBondContact O-N 3.06Å; V374-L377 PolarHBondContact O-N 3.25Å; L375-L377 VanDerWaalsContact C-N 3.27Å; L375-L377 PolarHBondContact O-N 3.34Å; L377-V379 VanDerWaalsContact C-N 3.33Å; L377-V379 PolarHBondContact O-N 2.91Å; L377-A380 WeakPolarHBondContact O-CB 3.42Å; L377-A380 PolarHBondContact O-N 2.9Å; L377-A380 VanDerWaalsContact O-N 3.16Å; L377-H381 PolarHBondContact O-CD2 3.01Å; L377-H381 VanDerWaalsContact O-CD2 3.28Å; L377-H381 PolarHBondContact O-N 3.05Å; L377-A403 HydrophobicContact CD1-CB 4.32Å; L377-S407 PolarHBondContact N-OG 3.4Å
378A97.5Very high96.9Very high0 Ų016.5 Ų16.50%09%0.086CC..Hα-helixtrans-60.8-41.7179.200000112.3F345 S347 I352 V374 L375 H381F345-A378 HydrophobicContact CB-CB 3.97Å; F345-A378 HydrophobicContact CD2-CB 3.42Å; F345-A378 VanDerWaalsContact CD2-CB 3.42Å; F345-A378 HydrophobicContact CE2-CB 4.04Å; F345-A378 HydrophobicContact CG-CB 3.76Å; S347-A378 PolarHBondContact OG-O 2.92Å; I352-A378 HydrophobicContact CD1-CB 4.1Å; I352-A378 HydrophobicContact CG2-CB 3.85Å; V374-A378 WeakPolarHBondContact O-CB 3.36Å; V374-A378 PolarHBondContact O-N 3.22Å; L375-A378 PolarHBondContact O-N 2.84Å; A378-H381 WeakPolarHBondContact O-CB 3.49Å; A378-H381 PolarHBondContact O-N 3.26Å
379V97.3Very high96.8Very high0 Ų015.5 Ų15.50%08%0.077CC..Hα-helixtrans-69.2-39.5174.3178.90000111.2L313 I317 Y320 I333 I352 L375 L377 H381 Q382L313-V379 HydrophobicContact CD1-CG2 3.35Å; I317-V379 HydrophobicContact CG1-CG1 3.8Å; Y320-V379 HydrophobicContact CD2-CB 4.47Å; Y320-V379 HydrophobicContact CD2-CG1 3.76Å; Y320-V379 HydrophobicContact CE2-CB 3.96Å; Y320-V379 HydrophobicContact CE2-CG1 3.75Å; I333-V379 HydrophobicContact CD1-CG2 4.46Å; I352-V379 HydrophobicContact CD1-CG2 4.25Å; L375-V379 WeakPolarHBondContact O-CG2 3.11Å; L375-V379 PolarHBondContact O-N 3.37Å; L377-V379 VanDerWaalsContact C-N 3.33Å; L377-V379 PolarHBondContact O-N 2.91Å; V379-H381 PolarHBondContact O-N 3.14Å; V379-Q382 VanDerWaalsContact O-CB 3.23Å; V379-Q382 WeakPolarHBondContact O-CB 3.43Å; V379-Q382 PolarHBondContact O-N 3.11Å
380A98.2Very high96.7Very high0 Ų014.9 Ų14.90%07%0.074CC..Hα-helixtrans-60.5-35.4176.600000112.2Y320 S376 L377 Q382 F383 F384 A403 L406Y320-A380 HydrophobicContact CE2-CB 4.11Å; S376-A380 WeakPolarHBondContact O-CB 3.28Å; S376-A380 PolarHBondContact O-N 3.4Å; S376-A380 VanDerWaalsContact O-N 3.08Å; L377-A380 WeakPolarHBondContact O-CB 3.42Å; L377-A380 PolarHBondContact O-N 2.9Å; L377-A380 VanDerWaalsContact O-N 3.16Å; A380-Q382 PolarHBondContact O-N 3.07Å; A380-F383 PolarHBondContact O-N 3.19Å; A380-F383 VanDerWaalsContact O-N 3.16Å; A380-F384 PolarHBondContact O-N 3.04Å; A380-F384 VanDerWaalsContact O-N 3.08Å; A380-A403 HydrophobicContact CB-CB 4.12Å; A380-A403 WeakPolarHBondContact CB-O 3.39Å; A380-L406 HydrophobicContact CB-CB 4.17Å; A380-L406 HydrophobicContact CB-CD2 3.97Å; A380-L406 HydrophobicContact CB-CG 4.3Å
381H97.1Very high96.5Very high21 Ų2114.5 Ų14.510%0.0977%0.072CC..Hα-helixtrans-63.6-23.8174.1-90.9-112.6000114.1L377 A378 V379 F383 F384 G385 C386 Y400 A403L377-H381 PolarHBondContact O-CD2 3.01Å; L377-H381 VanDerWaalsContact O-CD2 3.28Å; L377-H381 PolarHBondContact O-N 3.05Å; A378-H381 WeakPolarHBondContact O-CB 3.49Å; A378-H381 PolarHBondContact O-N 3.26Å; V379-H381 PolarHBondContact O-N 3.14Å; H381-F383 VanDerWaalsContact C-N 3.3Å; H381-F383 PolarHBondContact O-N 3.46Å; H381-F384 WeakPolarHBondContact CA-O 3.49Å; H381-F384 CarbonylContact O-C 3.56Å; H381-F384 VanDerWaalsContact O-C 3.26Å; H381-G385 PolarHBondContact O-N 2.93Å; H381-C386 PolarHBondContact O-N 3.06Å; H381-C386 VanDerWaalsContact O-N 3.11Å; H381-Y400 AromaticContact CE1-CD1 3.57Å; H381-Y400 AromaticContact CE1-CE1 3.69Å; H381-A403 WeakPolarHBondContact CD2-CB 3.37Å
382Q96.5Very high96.1Very high0 Ų016.8 Ų16.80%09%0.086CC..Hα-helixtrans-63.8-38.7173.7-64.1-70-44.800111.1Y328 F330 F348 I352 V379 A380 F387Y328-Q382 HydrophobicContact CE2-CB 3.75Å; Y328-Q382 HydrophobicContact CE2-CG 4.14Å; Y328-Q382 PolarHBondContact OH-OE1 3.03Å; Y328-Q382 VanDerWaalsContact OH-OE1 3.1Å; F330-Q382 HydrophobicContact CE2-CB 4.36Å; F348-Q382 PolarHBondContact O-NE2 3.26Å; F348-Q382 PolarHBondContact O-OE1 2.93Å; I352-Q382 HydrophobicContact CD1-CG 4.25Å; V379-Q382 VanDerWaalsContact O-CB 3.23Å; V379-Q382 WeakPolarHBondContact O-CB 3.43Å; V379-Q382 PolarHBondContact O-N 3.11Å; A380-Q382 PolarHBondContact O-N 3.07Å; Q382-F387 WeakPolarHBondContact O-CB 3.33Å; Q382-F387 PolarHBondContact O-N 3.13Å; Q382-F387 VanDerWaalsContact O-N 3.07Å
383F97.2Very high95.8Very high0 Ų014.9 Ų14.90%08%0.079CC..Hα-helixtrans-75.7-48.3175.5-68-94.5000111.6Y320 L324 Y328 P329 A380 H381 L388 L406 L499Y320-F383 HydrophobicContact CD2-CD2 4.48Å; Y320-F383 HydrophobicContact CD2-CE2 4.07Å; L324-F383 HydrophobicContact CD1-CD1 3.73Å; L324-F383 HydrophobicContact CD1-CE1 3.93Å; L324-F383 HydrophobicContact CD1-CG 4.11Å; L324-F383 HydrophobicContact CD1-CZ 4.48Å; Y328-F383 AromaticContact CD2-CE2 3.83Å; Y328-F383 HydrophobicContact CD2-CE2 3.83Å; Y328-F383 AromaticContact CD2-CZ 3.85Å; Y328-F383 HydrophobicContact CD2-CZ 3.85Å; Y328-F383 HydrophobicContact CE2-CE2 4.37Å; P329-F383 HydrophobicContact CG-CD1 4.33Å; A380-F383 PolarHBondContact O-N 3.19Å; A380-F383 VanDerWaalsContact O-N 3.16Å; H381-F383 VanDerWaalsContact C-N 3.3Å; H381-F383 PolarHBondContact O-N 3.46Å; F383-L388 PolarHBondContact O-N 3.5Å; F383-L406 HydrophobicContact CD2-CD2 4.45Å; F383-L499 HydrophobicContact CD1-CD2 4.47Å
384F96.9Very high95.5Very high0 Ų013.5 Ų13.50%08%0.076CC..BIsolated β-bridgetrans-118.396.5-177.2-55-69.8000110.2L324 A380 H381 L388 L402 A403 L406 L495L324-F384 HydrophobicContact CD2-CE2 4.45Å; L324-F384 HydrophobicContact CD2-CZ 4.3Å; A380-F384 PolarHBondContact O-N 3.04Å; A380-F384 VanDerWaalsContact O-N 3.08Å; H381-F384 WeakPolarHBondContact CA-O 3.49Å; H381-F384 CarbonylContact O-C 3.56Å; H381-F384 VanDerWaalsContact O-C 3.26Å; F384-L388 HydrophobicContact CD1-CB 4.31Å; F384-L388 HydrophobicContact CD1-CD1 3.81Å; F384-L388 HydrophobicContact CE1-CD1 3.65Å; F384-L402 HydrophobicContact CB-CB 4.02Å; F384-L402 HydrophobicContact CD1-CB 3.95Å; F384-L402 HydrophobicContact CD1-CD1 3.75Å; F384-L402 HydrophobicContact CD1-CG 4.49Å; F384-L402 HydrophobicContact CD2-CB 3.84Å; F384-L402 HydrophobicContact CE1-CB 4.37Å; F384-L402 HydrophobicContact CE1-CD1 3.95Å; F384-L402 HydrophobicContact CE2-CB 4.27Å; F384-L402 HydrophobicContact CG-CB 3.67Å; F384-L402 HydrophobicContact CG-CD1 4.33Å; F384-A403 HydrophobicContact CB-CB 4.31Å; F384-L406 HydrophobicContact CD2-CD2 4.38Å; F384-L406 HydrophobicContact CE2-CD2 4.09Å; F384-L495 HydrophobicContact CE1-CD2 4.47Å; F384-L495 HydrophobicContact CZ-CB 4.28Å; F384-L495 HydrophobicContact CZ-CD1 4.08Å; F384-L495 HydrophobicContact CZ-CD2 4.27Å; F384-L495 HydrophobicContact CZ-CG 4.42Å
385G93.5Very high95.3Very high17 Ų1713.4 Ų13.418%0.1758%0.075CC..THydrogen-bonded Turntrans139.3-42.9-175.200000111.9H381 L388H381-G385 PolarHBondContact O-N 2.93Å; G385-L388 WeakPolarHBondContact CA-O 3.37Å; G385-L388 PolarHBondContact N-O 3.43Å
386C94.9Very high95.2Very high2 Ų213.4 Ų13.41%0.0147%0.074CC..THydrogen-bonded Turntrans-104.3-47.7177.8-530000113F330 S347 H381 I389F330-C386 HydrophobicContact CE2-CB 3.93Å; F330-C386 HydrophobicContact CZ-CB 3.76Å; S347-C386 PolarHBondContact O-SG 2.87Å; S347-C386 VanDerWaalsContact O-SG 3.41Å; H381-C386 PolarHBondContact O-N 3.06Å; H381-C386 VanDerWaalsContact O-N 3.11Å; C386-I389 WeakPolarHBondContact O-CD1 3.17Å; C386-I389 WeakPolarHBondContact O-CG1 3.14Å
387F95.7Very high95.1Very high1 Ų113.4 Ų13.40%0.0047%0.074CC..THydrogen-bonded Turntrans-83.8-58.2179178.1-124.8000112.4Q268 P329 F330 Q382 L499 A502 R503Q268-F387 VanDerWaalsContact CD-CE2 3.47Å; Q268-F387 HydrophobicContact CG-CD2 4.07Å; Q268-F387 HydrophobicContact CG-CE2 4.44Å; Q268-F387 VanDerWaalsContact OE1-CE2 3.31Å; P329-F387 HydrophobicContact CB-CB 3.57Å; P329-F387 HydrophobicContact CB-CD1 3.57Å; P329-F387 HydrophobicContact CB-CD2 3.65Å; P329-F387 HydrophobicContact CB-CE1 4.11Å; P329-F387 HydrophobicContact CB-CE2 4.19Å; P329-F387 HydrophobicContact CB-CG 3.3Å; P329-F387 HydrophobicContact CB-CZ 4.39Å; P329-F387 HydrophobicContact CG-CB 3.7Å; P329-F387 HydrophobicContact CG-CD1 4.24Å; P329-F387 HydrophobicContact CG-CG 3.99Å; F330-F387 HydrophobicContact CE2-CB 4.46Å; F330-F387 HydrophobicContact CZ-CB 4.27Å; Q382-F387 WeakPolarHBondContact O-CB 3.33Å; Q382-F387 PolarHBondContact O-N 3.13Å; Q382-F387 VanDerWaalsContact O-N 3.07Å; F387-L499 HydrophobicContact CD1-CD2 3.64Å; F387-L499 HydrophobicContact CE1-CD2 3.73Å; F387-A502 HydrophobicContact CE1-CB 3.9Å; F387-A502 HydrophobicContact CE2-CB 4.31Å; F387-A502 HydrophobicContact CZ-CB 3.68Å; F387-R503 HydrophobicContact CZ-CB 4.12Å
388L96.2Very high95.1Very high2 Ų211.1 Ų11.11%0.016%0.063CC..BIsolated β-bridgetrans-89.7121.9164.5-73.7169.8000108.5F383 F384 G385 L498 L499 A502F383-L388 PolarHBondContact O-N 3.5Å; F384-L388 HydrophobicContact CD1-CB 4.31Å; F384-L388 HydrophobicContact CD1-CD1 3.81Å; F384-L388 HydrophobicContact CE1-CD1 3.65Å; G385-L388 WeakPolarHBondContact CA-O 3.37Å; G385-L388 PolarHBondContact N-O 3.43Å; L388-L498 HydrophobicContact CD1-CB 3.9Å; L388-L499 HydrophobicContact CD1-CD2 3.63Å; L388-L499 HydrophobicContact CD1-CG 4.14Å; L388-L499 HydrophobicContact CG-CD2 4.18Å; L388-A502 HydrophobicContact CD2-CB 3.7Å
389I94.2Very high95Very high5 Ų511.2 Ų11.23%0.0266%0.063CC..EExtended strand (participates in β ladder)trans-115.3147.3-169-60.4138.1000108.9P271 C386 I560 L561 L562P271-I389 VanDerWaalsContact CD-CD1 3.43Å; P271-I389 HydrophobicContact CG-CD1 4.25Å; P271-I389 HydrophobicContact CG-CG1 4.37Å; P271-I389 HydrophobicContact CG-CG2 3.97Å; C386-I389 WeakPolarHBondContact O-CD1 3.17Å; C386-I389 WeakPolarHBondContact O-CG1 3.14Å; I389-I560 HydrophobicContact CD1-CG2 3.75Å; I389-I560 PolarHBondContact N-O 3.21Å; I389-I560 VanDerWaalsContact N-O 3.14Å; I389-L561 HydrophobicContact CB-CD2 4.33Å; I389-L561 HydrophobicContact CG2-CD2 4.41Å; I389-L561 CarbonylContact O-C 3.55Å; I389-L561 WeakPolarHBondContact O-CA 3.4Å; I389-L562 WeakPolarHBondContact O-CB 3.14Å; I389-L562 PolarHBondContact O-N 2.99Å
390M94Very high95Very high27 Ų2712 Ų1213%0.1337%0.066CC..EExtended strand (participates in β ladder)trans-62.2140.4173.268.1-16876.700111.2S224 W393 D395 A396 T399S224-M390 WeakPolarHBondContact CB-O 3.44Å; S224-M390 PolarHBondContact OG-O 3.46Å; M390-W393 HydrophobicContact SD-CE3 4.26Å; M390-D395 HydrophobicContact CB-CB 4.35Å; M390-A396 HydrophobicContact CE-CB 3.84Å; M390-A396 HydrophobicContact SD-CB 3.51Å; M390-A396 VanDerWaalsContact SD-CB 3.51Å; M390-T399 HydrophobicContact CB-CG2 4.01Å; M390-T399 HydrophobicContact CE-CG2 4.44Å; M390-T399 WeakPolarHBondContact CE-OG1 3.44Å
391E91.7Very high95Very high57 Ų5712 Ų1227%0.2667%0.066SC..SBendtrans-67.6-47.2175.9-172.7172176.900111.3L561 L562 S563E391-L561 HydrophobicContact CB-CB 4.18Å; E391-L561 HydrophobicContact CG-CB 4.36Å; E391-L561 HydrophobicContact CG-CD1 4.34Å; E391-L562 PolarHBondContact N-O 3.41Å; E391-S563 WeakPolarHBondContact OE2-CB 3.38Å; E391-S563 PolarHBondContact OE2-OG 2.7Å
392T90.4Very high95.1Very high47 Ų4711 Ų1129%0.2886%0.061SC..SBendtrans-137.2172.8174.4670000110.2C394 D395T392-C394 PolarHBondContact O-N 2.9Å; T392-C394 PolarHBondContact OG1-N 2.98Å; T392-D395 PolarHBondContact N-OD2 2.91Å; T392-D395 PolarHBondContact O-N 3.01Å; T392-D395 PolarHBondContact OG1-OD2 3.3Å
393W91.1Very high95.2Very high17 Ų1711 Ų116%0.0646%0.061CC..G310 helixtrans-58.1-32.4174176.7-108.3000113.2P211 M390 D395 A396 Y400 L457 I463 L468P211-W393 HydrophobicContact CB-CE3 4.2Å; P211-W393 HydrophobicContact CB-CZ3 3.72Å; P211-W393 HydrophobicContact CG-CH2 4.24Å; P211-W393 HydrophobicContact CG-CZ3 3.73Å; M390-W393 HydrophobicContact SD-CE3 4.26Å; W393-D395 PolarHBondContact O-N 3.36Å; W393-D395 VanDerWaalsContact O-N 3.09Å; W393-A396 HydrophobicContact CD2-CB 4.23Å; W393-A396 HydrophobicContact CE3-CB 3.7Å; W393-A396 HydrophobicContact CH2-CB 4.35Å; W393-A396 HydrophobicContact CZ3-CB 3.77Å; W393-A396 WeakPolarHBondContact O-CB 3.31Å; W393-A396 PolarHBondContact O-N 3.21Å; W393-Y400 HydrophobicContact CH2-CE2 4.5Å; W393-Y400 HydrophobicContact CZ3-CE2 4.43Å; W393-L457 PolarHBondContact NE1-O 2.99Å; W393-I463 HydrophobicContact CZ2-CD1 3.59Å; W393-I463 VanDerWaalsContact NE1-CD1 3.26Å; W393-L468 HydrophobicContact CH2-CD1 3.93Å; W393-L468 HydrophobicContact CZ2-CD1 4.3Å
394C91.3Very high95.2Very high24 Ų2411.6 Ų11.616%0.1627%0.068CC..G310 helixtrans-60.4-20.1175.5-64.40000113.2T392T392-C394 PolarHBondContact O-N 2.9Å; T392-C394 PolarHBondContact OG1-N 2.98Å
395D94Very high95.3Very high14 Ų1411.6 Ų11.68%0.0757%0.068CC..G310 helixtrans-101.52.9179.9-57.7-68.4000113.2M390 T392 W393 W397 L398 L562 S563 T564M390-D395 HydrophobicContact CB-CB 4.35Å; T392-D395 PolarHBondContact N-OD2 2.91Å; T392-D395 PolarHBondContact O-N 3.01Å; T392-D395 PolarHBondContact OG1-OD2 3.3Å; W393-D395 PolarHBondContact O-N 3.36Å; W393-D395 VanDerWaalsContact O-N 3.09Å; D395-W397 PolarHBondContact O-N 2.96Å; D395-W397 VanDerWaalsContact O-N 3.13Å; D395-L398 HydrophobicContact CB-CD1 4.47Å; D395-L398 WeakPolarHBondContact O-CB 3.46Å; D395-L398 PolarHBondContact O-N 3.17Å; D395-L562 WeakPolarHBondContact CB-O 3.41Å; D395-S563 VanDerWaalsContact CG-CA 3.5Å; D395-S563 WeakPolarHBondContact OD1-CA 3.42Å; D395-T564 WeakPolarHBondContact OD1-CB 3.24Å; D395-T564 PolarHBondContact OD1-N 2.86Å; D395-T564 PolarHBondContact OD1-OG1 3.11Å
396A94.9Very high95.5Very high0 Ų010.8 Ų10.80%06%0.06CC..Hα-helixtrans-56.5-33.5-176.500000113M390 W393 L398 T399 Y400 Y471M390-A396 HydrophobicContact CE-CB 3.84Å; M390-A396 HydrophobicContact SD-CB 3.51Å; M390-A396 VanDerWaalsContact SD-CB 3.51Å; W393-A396 HydrophobicContact CD2-CB 4.23Å; W393-A396 HydrophobicContact CE3-CB 3.7Å; W393-A396 HydrophobicContact CH2-CB 4.35Å; W393-A396 HydrophobicContact CZ3-CB 3.77Å; W393-A396 WeakPolarHBondContact O-CB 3.31Å; W393-A396 PolarHBondContact O-N 3.21Å; A396-L398 PolarHBondContact O-N 2.89Å; A396-L398 VanDerWaalsContact O-N 3.13Å; A396-T399 PolarHBondContact O-N 3.25Å; A396-T399 VanDerWaalsContact O-N 3.09Å; A396-T399 PolarHBondContact O-OG1 3.19Å; A396-Y400 HydrophobicContact CB-CD2 4.23Å; A396-Y400 HydrophobicContact CB-CE2 4.05Å; A396-Y400 VanDerWaalsContact O-CD2 3.25Å; A396-Y400 WeakPolarHBondContact O-CD2 3.36Å; A396-Y400 PolarHBondContact O-N 3.23Å; A396-Y400 VanDerWaalsContact O-N 3.15Å; A396-Y471 HydrophobicContact CB-CE1 4.4Å
397W96.5Very high95.7Very high0 Ų010.9 Ų10.90%06%0.06CC..Hα-helixtrans-56.2-29.4178.873.1-88000112.9D395 G401 L443 Y471 S475 V478 I479 T564 L583 A587D395-W397 PolarHBondContact O-N 2.96Å; D395-W397 VanDerWaalsContact O-N 3.13Å; W397-G401 WeakPolarHBondContact O-CA 3.3Å; W397-G401 PolarHBondContact O-N 3.31Å; W397-L443 HydrophobicContact CB-CB 3.79Å; W397-L443 HydrophobicContact CB-CD1 4.29Å; W397-L443 HydrophobicContact CB-CD2 4.18Å; W397-L443 HydrophobicContact CB-CG 4.31Å; W397-L443 HydrophobicContact CD2-CB 4.2Å; W397-L443 HydrophobicContact CD2-CD1 4.26Å; W397-L443 HydrophobicContact CE3-CD1 4.02Å; W397-L443 HydrophobicContact CG-CB 3.75Å; W397-L443 HydrophobicContact CG-CD1 4.41Å; W397-Y471 WeakPolarHBondContact CA-OH 3.19Å; W397-Y471 HydrophobicContact CB-CE1 3.95Å; W397-Y471 HydrophobicContact CB-CE2 4.46Å; W397-Y471 VanDerWaalsContact CB-OH 3.3Å; W397-Y471 WeakPolarHBondContact CB-OH 3.23Å; W397-Y471 PolarHBondContact N-OH 3.13Å; W397-S475 WeakPolarHBondContact CA-OG 3.33Å; W397-S475 WeakPolarHBondContact CB-OG 3.48Å; W397-S475 WeakPolarHBondContact O-CB 3.49Å; W397-V478 HydrophobicContact CZ3-CG1 3.96Å; W397-I479 HydrophobicContact CE3-CD1 4.47Å; W397-I479 HydrophobicContact CH2-CD1 4.5Å; W397-I479 HydrophobicContact CZ3-CD1 3.73Å; W397-I479 HydrophobicContact CZ3-CG1 4.44Å; W397-T564 HydrophobicContact CZ2-CG2 4.15Å; W397-T564 PolarHBondContact NE1-OG1 3.36Å; W397-T564 VanDerWaalsContact NE1-OG1 3.15Å; W397-L583 HydrophobicContact CH2-CD2 3.74Å; W397-L583 HydrophobicContact CZ2-CD2 4.03Å; W397-A587 HydrophobicContact CH2-CB 4.46Å; W397-A587 HydrophobicContact CZ2-CB 4.13Å
398L97.7Very high95.8Very high0 Ų011 Ų110%06%0.062CC..Hα-helixtrans-67.5-47.8177.5-69.9167.8000110.8D395 A396 G401 L402 L562 S563 F567D395-L398 HydrophobicContact CB-CD1 4.47Å; D395-L398 WeakPolarHBondContact O-CB 3.46Å; D395-L398 PolarHBondContact O-N 3.17Å; A396-L398 PolarHBondContact O-N 2.89Å; A396-L398 VanDerWaalsContact O-N 3.13Å; L398-G401 PolarHBondContact O-N 2.7Å; L398-L402 WeakPolarHBondContact O-CB 3.35Å; L398-L402 WeakPolarHBondContact O-CG 3.32Å; L398-L402 PolarHBondContact O-N 3.22Å; L398-L562 HydrophobicContact CB-CD2 3.63Å; L398-L562 HydrophobicContact CB-CG 4.13Å; L398-L562 HydrophobicContact CD1-CD2 4.28Å; L398-L562 HydrophobicContact CD1-CG 3.86Å; L398-L562 HydrophobicContact CG-CD2 4.48Å; L398-S563 VanDerWaalsContact CD1-C 3.46Å; L398-F567 HydrophobicContact CD1-CB 4.1Å; L398-F567 HydrophobicContact CD2-CB 4.22Å; L398-F567 HydrophobicContact CD2-CD1 3.48Å; L398-F567 VanDerWaalsContact CD2-CD1 3.48Å; L398-F567 HydrophobicContact CD2-CD2 4.43Å; L398-F567 HydrophobicContact CD2-CE1 3.83Å; L398-F567 HydrophobicContact CD2-CG 3.8Å; L398-F567 HydrophobicContact CD2-CZ 4.44Å
399T96.4Very high95.9Very high2 Ų211.1 Ų11.11%0.0126%0.063CC..Hα-helixtrans-63.6-47.6179.261.40000111.4M390 A396 A403M390-T399 HydrophobicContact CB-CG2 4.01Å; M390-T399 HydrophobicContact CE-CG2 4.44Å; M390-T399 WeakPolarHBondContact CE-OG1 3.44Å; A396-T399 PolarHBondContact O-N 3.25Å; A396-T399 VanDerWaalsContact O-N 3.09Å; A396-T399 PolarHBondContact O-OG1 3.19Å; T399-A403 VanDerWaalsContact O-CB 3.27Å; T399-A403 WeakPolarHBondContact O-CB 2.99Å; T399-A403 PolarHBondContact O-N 3.49Å
400Y97.2Very high96.1Very high15 Ų1510.9 Ų10.96%0.0596%0.061CC..Hα-helixtrans-65.2-42.7177.5-69.7-60.9000112.7H381 W393 A396 G404 Y471 K472H381-Y400 AromaticContact CE1-CD1 3.57Å; H381-Y400 AromaticContact CE1-CE1 3.69Å; W393-Y400 HydrophobicContact CH2-CE2 4.5Å; W393-Y400 HydrophobicContact CZ3-CE2 4.43Å; A396-Y400 HydrophobicContact CB-CD2 4.23Å; A396-Y400 HydrophobicContact CB-CE2 4.05Å; A396-Y400 VanDerWaalsContact O-CD2 3.25Å; A396-Y400 WeakPolarHBondContact O-CD2 3.36Å; A396-Y400 PolarHBondContact O-N 3.23Å; A396-Y400 VanDerWaalsContact O-N 3.15Å; Y400-G404 PolarHBondContact O-N 3.46Å; Y400-Y471 HydrophobicContact CD2-CD1 4.45Å; Y400-Y471 HydrophobicContact CD2-CE1 4.04Å; Y400-K472 HydrophobicContact CD1-CD 4.2Å; Y400-K472 HydrophobicContact CD1-CG 3.98Å; Y400-K472 HydrophobicContact CD2-CG 4.35Å; Y400-K472 HydrophobicContact CE1-CD 4.22Å; Y400-K472 VanDerWaalsContact CE1-CE 3.44Å; Y400-K472 HydrophobicContact CE1-CG 4.36Å; Y400-K472 HydrophobicContact CG-CG 3.99Å
401G98.2Very high96.2Very high0 Ų010.5 Ų10.50%06%0.059CC..Hα-helixtrans-67.7-43.5-178.900000112.5W397 L398 G404 Y405 S475W397-G401 WeakPolarHBondContact O-CA 3.3Å; W397-G401 PolarHBondContact O-N 3.31Å; L398-G401 PolarHBondContact O-N 2.7Å; G401-G404 PolarHBondContact O-N 3.08Å; G401-Y405 VanDerWaalsContact O-CB 3.24Å; G401-Y405 WeakPolarHBondContact O-CB 3.43Å; G401-Y405 PolarHBondContact O-N 2.6Å; G401-S475 WeakPolarHBondContact CA-O 3.39Å
402L98.5Very high96.5Very high0 Ų011.5 Ų11.50%06%0.063CC..Hα-helixtrans-68.5-42.1178.2-69.1175.6000111.9F384 L398 Y405 L406 I479 L495 L562 F567F384-L402 HydrophobicContact CB-CB 4.02Å; F384-L402 HydrophobicContact CD1-CB 3.95Å; F384-L402 HydrophobicContact CD1-CD1 3.75Å; F384-L402 HydrophobicContact CD1-CG 4.49Å; F384-L402 HydrophobicContact CD2-CB 3.84Å; F384-L402 HydrophobicContact CE1-CB 4.37Å; F384-L402 HydrophobicContact CE1-CD1 3.95Å; F384-L402 HydrophobicContact CE2-CB 4.27Å; F384-L402 HydrophobicContact CG-CB 3.67Å; F384-L402 HydrophobicContact CG-CD1 4.33Å; L398-L402 WeakPolarHBondContact O-CB 3.35Å; L398-L402 WeakPolarHBondContact O-CG 3.32Å; L398-L402 PolarHBondContact O-N 3.22Å; L402-Y405 PolarHBondContact O-N 2.86Å; L402-L406 WeakPolarHBondContact O-CB 3.26Å; L402-L406 PolarHBondContact O-N 3.37Å; L402-I479 HydrophobicContact CD2-CD1 4.11Å; L402-I479 HydrophobicContact CD2-CG1 4.38Å; L402-I479 HydrophobicContact CD2-CG2 3.99Å; L402-I479 HydrophobicContact CG-CD1 4.45Å; L402-L495 HydrophobicContact CD1-CD2 4.32Å; L402-L495 HydrophobicContact CD2-CD1 4.46Å; L402-L495 HydrophobicContact CD2-CD2 3.51Å; L402-L562 HydrophobicContact CD1-CD2 3.73Å; L402-F567 HydrophobicContact CD2-CE2 4.49Å; L402-F567 HydrophobicContact CD2-CZ 4.43Å
403A98.2Very high96.8Very high0 Ų015.6 Ų15.60%07%0.073CC..Hα-helixtrans-65.5-42.717500000111.8L377 A380 H381 F384 T399 Y405 L406 S407L377-A403 HydrophobicContact CD1-CB 4.32Å; A380-A403 HydrophobicContact CB-CB 4.12Å; A380-A403 WeakPolarHBondContact CB-O 3.39Å; H381-A403 WeakPolarHBondContact CD2-CB 3.37Å; F384-A403 HydrophobicContact CB-CB 4.31Å; T399-A403 VanDerWaalsContact O-CB 3.27Å; T399-A403 WeakPolarHBondContact O-CB 2.99Å; T399-A403 PolarHBondContact O-N 3.49Å; A403-Y405 VanDerWaalsContact C-N 3.35Å; A403-Y405 PolarHBondContact O-N 2.99Å; A403-L406 PolarHBondContact O-N 3.14Å; A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 3.33Å
404G98.3Very high97Very high14 Ų1416.7 Ų16.714%0.1448%0.082CC..Hα-helixtrans-58.9-45173.800000112.2Y400 G401 S407 G408 H476Y400-G404 PolarHBondContact O-N 3.46Å; G401-G404 PolarHBondContact O-N 3.08Å; G404-S407 PolarHBondContact O-N 3.4Å; G404-G408 PolarHBondContact O-N 3.41Å; G404-H476 VanDerWaalsContact C-CD2 3.41Å
405Y98.4Very high97.2Very high0 Ų018.2 Ų18.20%09%0.086CC..Hα-helixtrans-61.9-48.7177.3172.1-105.2000112.3G401 L402 A403 S407 G408 L409 H476 I479 E483 L491 L495G401-Y405 VanDerWaalsContact O-CB 3.24Å; G401-Y405 WeakPolarHBondContact O-CB 3.43Å; G401-Y405 PolarHBondContact O-N 2.6Å; L402-Y405 PolarHBondContact O-N 2.86Å; A403-Y405 VanDerWaalsContact C-N 3.35Å; A403-Y405 PolarHBondContact O-N 2.99Å; Y405-S407 VanDerWaalsContact C-N 3.34Å; Y405-S407 PolarHBondContact O-N 2.93Å; Y405-G408 WeakPolarHBondContact O-CA 3.46Å; Y405-G408 PolarHBondContact O-N 2.69Å; Y405-G408 VanDerWaalsContact O-N 3.1Å; Y405-L409 HydrophobicContact CD1-CD1 4.47Å; Y405-L409 HydrophobicContact CE1-CD1 3.78Å; Y405-L409 HydrophobicContact CE1-CG 4.33Å; Y405-L409 HydrophobicContact CE2-CD2 4.21Å; Y405-L409 HydrophobicContact CE2-CG 4.35Å; Y405-L409 PolarHBondContact O-N 2.92Å; Y405-H476 PolarHBondContact N-CD2 2.92Å; Y405-H476 VanDerWaalsContact N-CD2 3.32Å; Y405-I479 HydrophobicContact CD1-CG2 4.19Å; Y405-I479 HydrophobicContact CD2-CG2 4.16Å; Y405-I479 HydrophobicContact CG-CG2 3.71Å; Y405-E483 HydrophobicContact CE2-CB 3.96Å; Y405-E483 HydrophobicContact CE2-CG 4Å; Y405-E483 WeakPolarHBondContact CE2-OE2 3.45Å; Y405-E483 VanDerWaalsContact OH-CD 3.26Å; Y405-E483 WeakPolarHBondContact OH-CG 3.3Å; Y405-E483 PolarHBondContact OH-OE1 2.86Å; Y405-L491 HydrophobicContact CE1-CD2 3.92Å; Y405-L491 HydrophobicContact CE2-CD2 4.38Å; Y405-L495 HydrophobicContact CD1-CD1 4.45Å; Y405-L495 HydrophobicContact CE1-CD1 4.37Å
406L98.1Very high97.3Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-62-43.6178.9-176.165.2000111.4Y320 L324 A380 F383 F384 L402 A403 G408 L409 Y410Y320-L406 HydrophobicContact CD1-CD1 3.6Å; Y320-L406 HydrophobicContact CD1-CD2 3.9Å; Y320-L406 HydrophobicContact CD1-CG 3.55Å; Y320-L406 HydrophobicContact CD2-CD2 4.02Å; Y320-L406 HydrophobicContact CD2-CG 4.47Å; Y320-L406 HydrophobicContact CE1-CD1 3.98Å; Y320-L406 HydrophobicContact CE1-CD2 4.16Å; Y320-L406 HydrophobicContact CE1-CG 3.56Å; Y320-L406 WeakPolarHBondContact CE1-O 3.43Å; Y320-L406 HydrophobicContact CE2-CD2 4.27Å; Y320-L406 HydrophobicContact CE2-CG 4.46Å; Y320-L406 HydrophobicContact CG-CD1 4.23Å; Y320-L406 HydrophobicContact CG-CD2 3.83Å; Y320-L406 HydrophobicContact CG-CG 4.04Å; L324-L406 HydrophobicContact CD1-CD1 4.29Å; L324-L406 HydrophobicContact CD1-CD2 3.91Å; L324-L406 HydrophobicContact CD2-CD1 4.25Å; L324-L406 HydrophobicContact CG-CD1 4.21Å; A380-L406 HydrophobicContact CB-CB 4.17Å; A380-L406 HydrophobicContact CB-CD2 3.97Å; A380-L406 HydrophobicContact CB-CG 4.3Å; F383-L406 HydrophobicContact CD2-CD2 4.45Å; F384-L406 HydrophobicContact CD2-CD2 4.38Å; F384-L406 HydrophobicContact CE2-CD2 4.09Å; L402-L406 WeakPolarHBondContact O-CB 3.26Å; L402-L406 PolarHBondContact O-N 3.37Å; A403-L406 PolarHBondContact O-N 3.14Å; L406-G408 VanDerWaalsContact C-N 3.31Å; L406-G408 PolarHBondContact O-N 3.5Å; L406-L409 PolarHBondContact O-N 3.43Å; L406-Y410 PolarHBondContact O-N 3.48Å
407S98.3Very high97.4Very high3 Ų322 Ų222%0.02111%0.112CC..Hα-helixtrans-60.6-40.9172.4178.70000111.9Y320 S376 L377 A403 G404 Y405 L409 Y410 Q411Y320-S407 WeakPolarHBondContact OH-CA 3.46Å; S376-S407 PolarHBondContact OG-OG 3.33Å; L377-S407 PolarHBondContact N-OG 3.4Å; A403-S407 WeakPolarHBondContact O-CB 3.3Å; A403-S407 PolarHBondContact O-N 3.33Å; G404-S407 PolarHBondContact O-N 3.4Å; Y405-S407 VanDerWaalsContact C-N 3.34Å; Y405-S407 PolarHBondContact O-N 2.93Å; S407-L409 VanDerWaalsContact C-N 3.34Å; S407-L409 PolarHBondContact O-N 3.32Å; S407-Y410 PolarHBondContact O-N 3.2Å; S407-Q411 VanDerWaalsContact O-CG 3.27Å; S407-Q411 WeakPolarHBondContact O-CG 2.85Å; S407-Q411 PolarHBondContact O-N 3.46Å; S407-Q411 PolarHBondContact OG-NE2 3.48Å
408G97.9Very high97.4Very high4 Ų424.9 Ų24.94%0.04113%0.128CC..Hα-helixtrans-58.2-42.2175.200000113G404 Y405 L406 Y410 Q411 K412 Y420G404-G408 PolarHBondContact O-N 3.41Å; Y405-G408 WeakPolarHBondContact O-CA 3.46Å; Y405-G408 PolarHBondContact O-N 2.69Å; Y405-G408 VanDerWaalsContact O-N 3.1Å; L406-G408 VanDerWaalsContact C-N 3.31Å; L406-G408 PolarHBondContact O-N 3.5Å; G408-Y410 PolarHBondContact O-N 3.19Å; G408-Q411 PolarHBondContact O-N 3.42Å; G408-K412 WeakPolarHBondContact O-CB 3.44Å; G408-K412 PolarHBondContact O-N 2.87Å; G408-Y420 WeakPolarHBondContact O-CD2 3.45Å
409L98Very high97.3Very high4 Ų425.7 Ų25.72%0.02113%0.131CC..Hα-helixtrans-61.4-43.2175-64.8-177.7000112.1Y319 I323 Y405 L406 S407 K412 R413 L492Y319-L409 HydrophobicContact CE1-CB 4.31Å; Y319-L409 PolarHBondContact OH-O 2.92Å; Y319-L409 VanDerWaalsContact OH-O 3.04Å; I323-L409 HydrophobicContact CD1-CD1 4.49Å; I323-L409 HydrophobicContact CG2-CD1 4.22Å; Y405-L409 HydrophobicContact CD1-CD1 4.47Å; Y405-L409 HydrophobicContact CE1-CD1 3.78Å; Y405-L409 HydrophobicContact CE1-CG 4.33Å; Y405-L409 HydrophobicContact CE2-CD2 4.21Å; Y405-L409 HydrophobicContact CE2-CG 4.35Å; Y405-L409 PolarHBondContact O-N 2.92Å; L406-L409 PolarHBondContact O-N 3.43Å; S407-L409 VanDerWaalsContact C-N 3.34Å; S407-L409 PolarHBondContact O-N 3.32Å; L409-K412 WeakPolarHBondContact O-CB 3.23Å; L409-K412 PolarHBondContact O-N 3.16Å; L409-R413 PolarHBondContact O-N 3.31Å; L409-R413 VanDerWaalsContact O-N 3.08Å; L409-L492 HydrophobicContact CD1-CD2 4.43Å
410Y98.1Very high97.4Very high0 Ų025.9 Ų25.90%013%0.132CC..Hα-helixtrans-64.6-45.1176.4177.7-95.9000111.7M316 Y319 Y320 R372 S376 L406 S407 G408 K412 R413 V414M316-Y410 HydrophobicContact CB-CE2 4.19Å; M316-Y410 HydrophobicContact CE-CE1 3.68Å; M316-Y410 HydrophobicContact CG-CD1 4.39Å; M316-Y410 HydrophobicContact CG-CD2 4.24Å; M316-Y410 HydrophobicContact CG-CE1 3.75Å; M316-Y410 HydrophobicContact CG-CE2 3.57Å; M316-Y410 VanDerWaalsContact CG-OH 3.31Å; M316-Y410 WeakPolarHBondContact CG-OH 3.39Å; M316-Y410 HydrophobicContact SD-CE1 4.45Å; Y319-Y410 AromaticContact CD1-CD2 3.58Å; Y319-Y410 HydrophobicContact CD1-CD2 3.58Å; Y319-Y410 HydrophobicContact CD1-CG 4.21Å; Y319-Y410 HydrophobicContact CE1-CD2 4.15Å; Y319-Y410 HydrophobicContact CE1-CG 4.45Å; Y319-Y410 HydrophobicContact CG-CD2 4.07Å; Y320-Y410 HydrophobicContact CE1-CG 4.47Å; R372-Y410 HydrophobicContact CG-CE1 4.11Å; R372-Y410 VanDerWaalsContact CZ-OH 3.31Å; R372-Y410 PolarHBondContact NE-OH 3.27Å; R372-Y410 PolarHBondContact NH2-OH 3.44Å; S376-Y410 VanDerWaalsContact CB-CD1 3.46Å; L406-Y410 PolarHBondContact O-N 3.48Å; S407-Y410 PolarHBondContact O-N 3.2Å; G408-Y410 PolarHBondContact O-N 3.19Å; Y410-K412 VanDerWaalsContact C-N 3.28Å; Y410-K412 PolarHBondContact O-N 3.29Å; Y410-R413 WeakPolarHBondContact O-CB 3.35Å; Y410-R413 PolarHBondContact O-N 3.2Å; Y410-V414 HydrophobicContact CD1-CG2 4.13Å; Y410-V414 HydrophobicContact CD2-CG2 4.24Å; Y410-V414 HydrophobicContact CE1-CB 4.46Å; Y410-V414 HydrophobicContact CE1-CG2 3.68Å; Y410-V414 HydrophobicContact CE2-CG2 3.81Å; Y410-V414 HydrophobicContact CG-CG2 4.4Å; Y410-V414 WeakPolarHBondContact O-CG2 3.16Å; Y410-V414 PolarHBondContact O-N 3.13Å
411Q97.3Very high97.4Very high19 Ų1926.9 Ų26.99%0.08914%0.136CC..Hα-helixtrans-61.2-38177.3-68.8179.233.300111.6K373 S376 S407 G408 R413 V414 F415K373-Q411 HydrophobicContact CG-CG 4.31Å; S376-Q411 PolarHBondContact OG-NE2 3.22Å; S407-Q411 VanDerWaalsContact O-CG 3.27Å; S407-Q411 WeakPolarHBondContact O-CG 2.85Å; S407-Q411 PolarHBondContact O-N 3.46Å; S407-Q411 PolarHBondContact OG-NE2 3.48Å; G408-Q411 PolarHBondContact O-N 3.42Å; Q411-R413 PolarHBondContact O-N 3.49Å; Q411-V414 PolarHBondContact O-N 3.44Å; Q411-F415 HydrophobicContact CB-CD2 3.96Å; Q411-F415 HydrophobicContact CB-CE2 4.37Å; Q411-F415 HydrophobicContact CG-CD2 4.16Å; Q411-F415 HydrophobicContact CG-CE2 4.07Å; Q411-F415 WeakPolarHBondContact O-CB 3.38Å; Q411-F415 PolarHBondContact O-N 2.85Å
412K97.5Very high97.3Very high78 Ų7828.6 Ų28.634%0.33914%0.143SC..Hα-helixtrans-60.8-40.1172.2179.5175.9173.1164.10112.8G408 L409 Y410 G416 N417 Y420G408-K412 WeakPolarHBondContact O-CB 3.44Å; G408-K412 PolarHBondContact O-N 2.87Å; L409-K412 WeakPolarHBondContact O-CB 3.23Å; L409-K412 PolarHBondContact O-N 3.16Å; Y410-K412 VanDerWaalsContact C-N 3.28Å; Y410-K412 PolarHBondContact O-N 3.29Å; K412-G416 CarbonylContact O-C 3.42Å; K412-G416 VanDerWaalsContact O-C 3.25Å; K412-G416 WeakPolarHBondContact O-CA 3.5Å; K412-G416 PolarHBondContact O-N 2.85Å; K412-N417 WeakPolarHBondContact CE-OD1 3.49Å; K412-N417 PolarHBondContact NZ-OD1 2.95Å; K412-Y420 HydrophobicContact CB-CD1 3.94Å; K412-Y420 HydrophobicContact CB-CD2 4.31Å; K412-Y420 HydrophobicContact CB-CG 3.73Å; K412-Y420 HydrophobicContact CD-CD1 3.75Å; K412-Y420 HydrophobicContact CD-CE1 4.13Å; K412-Y420 HydrophobicContact CD-CG 4.41Å; K412-Y420 HydrophobicContact CG-CD1 4.06Å; K412-Y420 HydrophobicContact CG-CG 4.26Å
413R96.5Very high97.3Very high133 Ų13329.9 Ų29.950%0.50215%0.15SC..Hα-helixtrans-67.3-46.3176.7173.8-178.7170.6-165.1-1.7111.8E315 Y319 L409 Y410 Q411E315-R413 IonicContact OE1-NH2 3.56Å; Y319-R413 HydrophobicContact CE2-CB 4.31Å; Y319-R413 HydrophobicContact CE2-CG 4.39Å; L409-R413 PolarHBondContact O-N 3.31Å; L409-R413 VanDerWaalsContact O-N 3.08Å; Y410-R413 WeakPolarHBondContact O-CB 3.35Å; Y410-R413 PolarHBondContact O-N 3.2Å; Q411-R413 PolarHBondContact O-N 3.49Å
414V96.4Very high97.2Very high41 Ų4129.9 Ų29.925%0.24815%0.15CC..Hα-helixtrans-83-50-169.9170.70000112.5R372 Y410 Q411R372-V414 VanDerWaalsContact NH2-CG2 3.3Å; Y410-V414 HydrophobicContact CD1-CG2 4.13Å; Y410-V414 HydrophobicContact CD2-CG2 4.24Å; Y410-V414 HydrophobicContact CE1-CB 4.46Å; Y410-V414 HydrophobicContact CE1-CG2 3.68Å; Y410-V414 HydrophobicContact CE2-CG2 3.81Å; Y410-V414 HydrophobicContact CG-CG2 4.4Å; Y410-V414 WeakPolarHBondContact O-CG2 3.16Å; Y410-V414 PolarHBondContact O-N 3.13Å; Q411-V414 PolarHBondContact O-N 3.44Å
415F95.8Very high97.2Very high56 Ų5630.5 Ų30.525%0.24615%0.149CC..Hα-helixtrans-93.1-9.2-175.7-53.8-63.3000112.6I369 R372 K373 Q411 E419I369-F415 HydrophobicContact CB-CE1 4.45Å; I369-F415 HydrophobicContact CG1-CE1 4.36Å; I369-F415 HydrophobicContact CG2-CE1 3.95Å; I369-F415 HydrophobicContact CG2-CZ 4.12Å; R372-F415 HydrophobicContact CB-CZ 4.05Å; R372-F415 HydrophobicContact CG-CZ 4.1Å; K373-F415 HydrophobicContact CD-CE2 4.42Å; K373-F415 HydrophobicContact CG-CD2 4.44Å; K373-F415 HydrophobicContact CG-CE2 3.59Å; K373-F415 HydrophobicContact CG-CZ 4.08Å; Q411-F415 HydrophobicContact CB-CD2 3.96Å; Q411-F415 HydrophobicContact CB-CE2 4.37Å; Q411-F415 HydrophobicContact CG-CD2 4.16Å; Q411-F415 HydrophobicContact CG-CE2 4.07Å; Q411-F415 WeakPolarHBondContact O-CB 3.38Å; Q411-F415 PolarHBondContact O-N 2.85Å; F415-E419 HydrophobicContact CB-CB 3.97Å; F415-E419 HydrophobicContact CB-CG 3.71Å
416G96.1Very high97.2Very high28 Ų2833.9 Ų33.929%0.28917%0.168SC..  trans94.1162.2177.800000113.7K412 N418 E419 Y420K412-G416 CarbonylContact O-C 3.42Å; K412-G416 VanDerWaalsContact O-C 3.25Å; K412-G416 WeakPolarHBondContact O-CA 3.5Å; K412-G416 PolarHBondContact O-N 2.85Å; G416-N418 PolarHBondContact O-N 3.46Å; G416-E419 PolarHBondContact O-N 2.97Å; G416-Y420 PolarHBondContact O-N 3.37Å; G416-Y420 VanDerWaalsContact O-N 3.16Å
417N96.1Very high97.2Very high64 Ų6435.9 Ų35.934%0.34218%0.177SC..Hα-helixtrans-63.8-37.4-173.6-174.567.1000113.6K412 Y420 R421K412-N417 WeakPolarHBondContact CE-OD1 3.49Å; K412-N417 PolarHBondContact NZ-OD1 2.95Å; N417-Y420 PolarHBondContact O-N 3.46Å; N417-R421 WeakPolarHBondContact O-CG 3.37Å; N417-R421 PolarHBondContact O-N 2.98Å
418N96.5Very high97.1Very high61 Ų6135.9 Ų35.933%0.32618%0.177SC..Hα-helixtrans-66.6-40.3-179.4-66.6-9.3000111.8G416 R421 K422 C723 F755G416-N418 PolarHBondContact O-N 3.46Å; N418-R421 PolarHBondContact O-N 2.99Å; N418-K422 PolarHBondContact O-N 3.44Å; N418-C723 HydrophobicContact CB-CB 4.15Å; N418-F755 HydrophobicContact CB-CD1 4.12Å; N418-F755 HydrophobicContact CB-CD2 3.71Å; N418-F755 HydrophobicContact CB-CE1 4.08Å; N418-F755 HydrophobicContact CB-CE2 3.71Å; N418-F755 HydrophobicContact CB-CG 3.93Å; N418-F755 HydrophobicContact CB-CZ 3.9Å
419E96.4Very high97.1Very high17 Ų1739.8 Ų39.88%0.07919%0.194CC..Hα-helixtrans-63.7-45.9174.6179.866-176.800110.8K373 F415 G416 R421 K422 I423 F755 Y756 H757K373-E419 IonicContact NZ-OE1 3.44Å; K373-E419 PolarHBondContact NZ-OE1 2.93Å; F415-E419 HydrophobicContact CB-CB 3.97Å; F415-E419 HydrophobicContact CB-CG 3.71Å; G416-E419 PolarHBondContact O-N 2.97Å; E419-R421 PolarHBondContact O-N 2.79Å; E419-K422 WeakPolarHBondContact O-CB 3.35Å; E419-K422 PolarHBondContact O-N 2.82Å; E419-K422 VanDerWaalsContact O-N 3.17Å; E419-I423 HydrophobicContact CG-CD1 4.18Å; E419-I423 WeakPolarHBondContact O-CG1 3.49Å; E419-I423 PolarHBondContact O-N 2.56Å; E419-F755 HydrophobicContact CB-CZ 4.41Å; E419-Y756 PolarHBondContact OE2-OH 3Å; E419-H757 IonicContact OE2-CD2 3.81Å; E419-H757 PolarHBondContact OE2-CD2 3.13Å; E419-H757 IonicContact OE2-NE2 2.76Å; E419-H757 PolarHBondContact OE2-NE2 3.08Å
420Y97.6Very high97.1Very high7 Ų743.2 Ų43.23%0.02721%0.209CC..Hα-helixtrans-60.2-43.5176174.2-114.4000112.7G408 K412 G416 N417 K422 I423 V424G408-Y420 WeakPolarHBondContact O-CD2 3.45Å; K412-Y420 HydrophobicContact CB-CD1 3.94Å; K412-Y420 HydrophobicContact CB-CD2 4.31Å; K412-Y420 HydrophobicContact CB-CG 3.73Å; K412-Y420 HydrophobicContact CD-CD1 3.75Å; K412-Y420 HydrophobicContact CD-CE1 4.13Å; K412-Y420 HydrophobicContact CD-CG 4.41Å; K412-Y420 HydrophobicContact CG-CD1 4.06Å; K412-Y420 HydrophobicContact CG-CG 4.26Å; G416-Y420 PolarHBondContact O-N 3.37Å; G416-Y420 VanDerWaalsContact O-N 3.16Å; N417-Y420 PolarHBondContact O-N 3.46Å; Y420-K422 VanDerWaalsContact C-N 3.29Å; Y420-K422 PolarHBondContact O-N 2.93Å; Y420-I423 PolarHBondContact O-N 3.2Å; Y420-V424 HydrophobicContact CD2-CG2 4.31Å; Y420-V424 HydrophobicContact CE1-CG2 4.19Å; Y420-V424 HydrophobicContact CE2-CG2 3.85Å; Y420-V424 WeakPolarHBondContact O-CG2 3.24Å; Y420-V424 PolarHBondContact O-N 3.07Å
421R97.3Very high97Very high36 Ų3643.2 Ų43.214%0.13621%0.209CC..Hα-helixtrans-61.1-39.1175.7-74.3-17584.413317.4111.9N417 N418 E419 V424 L425 P696 D697 D722 L724N417-R421 WeakPolarHBondContact O-CG 3.37Å; N417-R421 PolarHBondContact O-N 2.98Å; N418-R421 PolarHBondContact O-N 2.99Å; E419-R421 PolarHBondContact O-N 2.79Å; R421-V424 PolarHBondContact O-N 2.92Å; R421-L425 WeakPolarHBondContact O-CB 3.47Å; R421-L425 PolarHBondContact O-N 2.91Å; R421-P696 PolarHBondContact NH2-O 3.45Å; R421-D697 IonicContact CZ-OD1 2.57Å; R421-D697 IonicContact NH1-OD1 3.07Å; R421-D697 IonicContact NH2-OD1 3.09Å; R421-D697 PolarHBondContact NH2-OD1 3.3Å; R421-D697 VanDerWaalsContact NH2-OD1 3.15Å; R421-D722 IonicContact CZ-OD1 3.9Å; R421-D722 IonicContact CZ-OD2 3.98Å; R421-D722 IonicContact NE-OD1 3.98Å; R421-D722 IonicContact NH1-OD2 2.71Å; R421-D722 IonicContact NH2-OD2 3.07Å; R421-L724 HydrophobicContact CB-CD1 4.11Å; R421-L724 HydrophobicContact CB-CD2 4.12Å; R421-L724 HydrophobicContact CB-CG 4.17Å
422K97.1Very high97Very high35 Ų3542.6 Ų42.615%0.15221%0.206CC..Hα-helixtrans-63.9-42.9175.1-178.35816675.30111.8N418 E419 Y420 V424 L425 D426 L727 F755N418-K422 PolarHBondContact O-N 3.44Å; E419-K422 WeakPolarHBondContact O-CB 3.35Å; E419-K422 PolarHBondContact O-N 2.82Å; E419-K422 VanDerWaalsContact O-N 3.17Å; Y420-K422 VanDerWaalsContact C-N 3.29Å; Y420-K422 PolarHBondContact O-N 2.93Å; K422-V424 VanDerWaalsContact C-N 3.34Å; K422-V424 PolarHBondContact O-N 3.45Å; K422-L425 PolarHBondContact O-N 3.42Å; K422-D426 IonicContact NZ-OD1 3.92Å; K422-D426 PolarHBondContact NZ-OD1 2.96Å; K422-D426 IonicContact NZ-OD2 2.83Å; K422-D426 PolarHBondContact NZ-OD2 3.07Å; K422-D426 VanDerWaalsContact O-CG 3.25Å; K422-D426 PolarHBondContact O-N 2.93Å; K422-L727 HydrophobicContact CD-CD1 3.71Å; K422-F755 HydrophobicContact CB-CE1 4.38Å
423I96.7Very high96.9Very high27 Ų2744 Ų4414%0.13821%0.214CC..Hα-helixtrans-58.8-46.7175.5-67.8167.1000110.6E419 Y420 L425 D426 E427E419-I423 HydrophobicContact CG-CD1 4.18Å; E419-I423 WeakPolarHBondContact O-CG1 3.49Å; E419-I423 PolarHBondContact O-N 2.56Å; Y420-I423 PolarHBondContact O-N 3.2Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 3.43Å; I423-D426 PolarHBondContact O-N 3.14Å; I423-E427 WeakPolarHBondContact O-CG 3.46Å; I423-E427 PolarHBondContact O-N 2.85Å
424V97.9Very high96.8Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-62.1-42.5177.51740000111.5Y420 R421 K422 E427 M428 L477 L698Y420-V424 HydrophobicContact CD2-CG2 4.31Å; Y420-V424 HydrophobicContact CE1-CG2 4.19Å; Y420-V424 HydrophobicContact CE2-CG2 3.85Å; Y420-V424 WeakPolarHBondContact O-CG2 3.24Å; Y420-V424 PolarHBondContact O-N 3.07Å; R421-V424 PolarHBondContact O-N 2.92Å; K422-V424 VanDerWaalsContact C-N 3.34Å; K422-V424 PolarHBondContact O-N 3.45Å; V424-E427 PolarHBondContact O-N 2.55Å; V424-M428 WeakPolarHBondContact O-CB 3.15Å; V424-M428 PolarHBondContact O-N 3.18Å; V424-L477 HydrophobicContact CG1-CD2 3.88Å; V424-L698 HydrophobicContact CB-CD1 4.4Å; V424-L698 HydrophobicContact CG1-CB 4.5Å; V424-L698 HydrophobicContact CG1-CD1 3.87Å
425L97.6Very high96.7Very high27 Ų2736.3 Ų36.314%0.14118%0.181CC..Hα-helixtrans-61.6-43.8176.5-177.765.3000111.3R421 K422 I423 M428 H429 L698 L724R421-L425 WeakPolarHBondContact O-CB 3.47Å; R421-L425 PolarHBondContact O-N 2.91Å; K422-L425 PolarHBondContact O-N 3.42Å; I423-L425 VanDerWaalsContact C-N 3.34Å; I423-L425 PolarHBondContact O-N 3.43Å; L425-M428 WeakPolarHBondContact O-CB 3.34Å; L425-M428 PolarHBondContact O-N 3.4Å; L425-H429 WeakPolarHBondContact CD1-NE2 3.41Å; L425-H429 PolarHBondContact O-CD2 3.32Å; L425-H429 VanDerWaalsContact O-CD2 3.25Å; L425-H429 PolarHBondContact O-N 3.23Å; L425-L698 HydrophobicContact CB-CD1 4.03Å; L425-L698 HydrophobicContact CD1-CD1 4.21Å; L425-L698 HydrophobicContact CD1-CD2 4.1Å; L425-L724 HydrophobicContact CB-CD2 4.32Å; L425-L724 HydrophobicContact CD2-CD2 3.93Å
426D97.4Very high96.5Very high72 Ų7235.5 Ų35.539%0.38518%0.179SC..Hα-helixtrans-65.5-40.4179.7-70.1-19.9000112.2K422 I423 H429 F430K422-D426 IonicContact NZ-OD1 3.92Å; K422-D426 PolarHBondContact NZ-OD1 2.96Å; K422-D426 IonicContact NZ-OD2 2.83Å; K422-D426 PolarHBondContact NZ-OD2 3.07Å; K422-D426 VanDerWaalsContact O-CG 3.25Å; K422-D426 PolarHBondContact O-N 2.93Å; I423-D426 PolarHBondContact O-N 3.14Å; D426-H429 PolarHBondContact O-N 2.95Å; D426-F430 WeakPolarHBondContact O-CB 3.34Å; D426-F430 PolarHBondContact O-N 3.16Å
427E98Very high96.3Very high41 Ų4139.6 Ų39.619%0.19219%0.192CC..Hα-helixtrans-65.3-40173.8-72.3-174.5171.700112.2I423 V424 F430 V431 K473 H476 L477I423-E427 WeakPolarHBondContact O-CG 3.46Å; I423-E427 PolarHBondContact O-N 2.85Å; V424-E427 PolarHBondContact O-N 2.55Å; E427-F430 PolarHBondContact O-N 3.03Å; E427-V431 WeakPolarHBondContact O-CB 3.46Å; E427-V431 VanDerWaalsContact O-CG2 3.31Å; E427-V431 WeakPolarHBondContact O-CG2 3.27Å; E427-V431 PolarHBondContact O-N 2.79Å; E427-K473 HydrophobicContact CB-CB 4.27Å; E427-K473 HydrophobicContact CB-CD 4.4Å; E427-K473 HydrophobicContact CB-CG 4.44Å; E427-K473 HydrophobicContact CG-CB 4.32Å; E427-K473 HydrophobicContact CG-CD 4.07Å; E427-K473 HydrophobicContact CG-CG 4.01Å; E427-H476 IonicContact OE1-ND1 3.15Å; E427-H476 IonicContact OE2-CE1 3.91Å; E427-H476 IonicContact OE2-CG 3.27Å; E427-H476 IonicContact OE2-ND1 3.45Å; E427-H476 PolarHBondContact OE2-ND1 2.83Å; E427-L477 HydrophobicContact CB-CD2 4.3Å
428M97.5Very high95.9Very high3 Ų339.7 Ų39.72%0.01519%0.187CC..Hα-helixtrans-62-49.7175.1-174.3174.1-65.600110.7V424 L425 F430 V431 T432 L477 L698 I700 I701V424-M428 WeakPolarHBondContact O-CB 3.15Å; V424-M428 PolarHBondContact O-N 3.18Å; L425-M428 WeakPolarHBondContact O-CB 3.34Å; L425-M428 PolarHBondContact O-N 3.4Å; M428-F430 VanDerWaalsContact C-N 3.34Å; M428-F430 PolarHBondContact O-N 3.03Å; M428-V431 PolarHBondContact O-N 3.26Å; M428-T432 HydrophobicContact CG-CG2 4.4Å; M428-T432 WeakPolarHBondContact O-CG2 3.38Å; M428-T432 PolarHBondContact O-N 2.66Å; M428-T432 PolarHBondContact O-OG1 3.46Å; M428-L477 HydrophobicContact CB-CD1 4.21Å; M428-L698 HydrophobicContact CE-CB 3.79Å; M428-L698 HydrophobicContact SD-CD2 4.32Å; M428-I700 WeakPolarHBondContact CE-O 3.42Å; M428-I701 HydrophobicContact CG-CG2 4.31Å
429H97.2Very high95.6Very high87 Ų8737.3 Ų37.340%0.40317%0.174SC..Hα-helixtrans-56.3-48.6175.4-76.6-50.1000111.6L425 D426 V431 T432 E433L425-H429 WeakPolarHBondContact CD1-NE2 3.41Å; L425-H429 PolarHBondContact O-CD2 3.32Å; L425-H429 VanDerWaalsContact O-CD2 3.25Å; L425-H429 PolarHBondContact O-N 3.23Å; D426-H429 PolarHBondContact O-N 2.95Å; H429-V431 VanDerWaalsContact C-N 3.32Å; H429-V431 PolarHBondContact O-N 3.42Å; H429-T432 WeakPolarHBondContact CA-OG1 3.4Å; H429-T432 PolarHBondContact O-N 3.16Å; H429-T432 PolarHBondContact O-OG1 3.11Å; H429-E433 VanDerWaalsContact O-CB 3.29Å; H429-E433 WeakPolarHBondContact O-CB 3.49Å; H429-E433 PolarHBondContact O-N 2.98Å
430F97.5Very high95.3Very high76 Ų7637 Ų3733%0.33318%0.176SC..Hα-helixtrans-55.8-45.9177.3-175.6-84.1000112.4D426 E427 M428 F434 A470 K473D426-F430 WeakPolarHBondContact O-CB 3.34Å; D426-F430 PolarHBondContact O-N 3.16Å; E427-F430 PolarHBondContact O-N 3.03Å; M428-F430 VanDerWaalsContact C-N 3.34Å; M428-F430 PolarHBondContact O-N 3.03Å; F430-F434 WeakPolarHBondContact O-CB 3.21Å; F430-F434 PolarHBondContact O-N 2.92Å; F430-A470 HydrophobicContact CD1-CB 4.42Å; F430-A470 HydrophobicContact CE1-CB 3.81Å; F430-K473 HydrophobicContact CB-CD 4.16Å; F430-K473 HydrophobicContact CD1-CD 3.55Å; F430-K473 HydrophobicContact CE1-CD 4.11Å; F430-K473 HydrophobicContact CG-CD 3.88Å
431V97.6Very high95.2Very high0 Ų036.7 Ų36.70%017%0.174CC..Hα-helixtrans-63.9-48.1179.1165.10000111.1E427 M428 H429 F434 E435 I441 K473 K474 L477 I701E427-V431 WeakPolarHBondContact O-CB 3.46Å; E427-V431 VanDerWaalsContact O-CG2 3.31Å; E427-V431 WeakPolarHBondContact O-CG2 3.27Å; E427-V431 PolarHBondContact O-N 2.79Å; M428-V431 PolarHBondContact O-N 3.26Å; H429-V431 VanDerWaalsContact C-N 3.32Å; H429-V431 PolarHBondContact O-N 3.42Å; V431-F434 PolarHBondContact O-N 3.34Å; V431-E435 WeakPolarHBondContact O-CG 3.18Å; V431-E435 PolarHBondContact O-N 2.95Å; V431-I441 HydrophobicContact CG1-CD1 3.99Å; V431-I441 HydrophobicContact CG2-CD1 4.49Å; V431-K473 HydrophobicContact CG2-CB 3.93Å; V431-K474 HydrophobicContact CG1-CB 4.25Å; V431-K474 HydrophobicContact CG1-CD 4.27Å; V431-K474 HydrophobicContact CG1-CG 4.3Å; V431-K474 HydrophobicContact CG2-CB 3.99Å; V431-L477 HydrophobicContact CB-CD1 4.34Å; V431-L477 HydrophobicContact CG2-CD1 4.05Å; V431-I701 HydrophobicContact CG1-CG2 4Å
432T96.3Very high95Very high5 Ų535 Ų353%0.03117%0.168CC..Hα-helixtrans-64.3-42.8179.759.10000112.3M428 H429 E435 N436 H592 I701M428-T432 HydrophobicContact CG-CG2 4.4Å; M428-T432 WeakPolarHBondContact O-CG2 3.38Å; M428-T432 PolarHBondContact O-N 2.66Å; M428-T432 PolarHBondContact O-OG1 3.46Å; H429-T432 WeakPolarHBondContact CA-OG1 3.4Å; H429-T432 PolarHBondContact O-N 3.16Å; H429-T432 PolarHBondContact O-OG1 3.11Å; T432-E435 PolarHBondContact O-N 3.25Å; T432-N436 WeakPolarHBondContact O-CB 3.42Å; T432-N436 VanDerWaalsContact O-CG 3.27Å; T432-N436 PolarHBondContact O-N 2.76Å; T432-N436 PolarHBondContact O-ND2 3.1Å; T432-H592 HydrophobicContact CG2-CB 3.78Å; T432-H592 PolarHBondContact O-CE1 2.94Å; T432-I701 HydrophobicContact CG2-CG2 4.09Å
433E95.3Very high95Very high108 Ų10833.4 Ų33.451%0.50516%0.161SC..Hα-helixtrans-65.3-42.5178.4-154.9-165.7156.500110.9H429 E435 N436 M437H429-E433 VanDerWaalsContact O-CB 3.29Å; H429-E433 WeakPolarHBondContact O-CB 3.49Å; H429-E433 PolarHBondContact O-N 2.98Å; E433-E435 PolarHBondContact O-N 3.12Å; E433-N436 PolarHBondContact O-N 3.09Å; E433-M437 HydrophobicContact CB-CE 4.47Å; E433-M437 HydrophobicContact CG-CE 3.62Å; E433-M437 HydrophobicContact CG-SD 4.22Å; E433-M437 WeakPolarHBondContact O-CB 3.4Å; E433-M437 WeakPolarHBondContact O-CG 3.4Å; E433-M437 PolarHBondContact O-N 3.22Å; E433-M437 WeakPolarHBondContact OE1-CE 3.35Å
434F95.2Very high94.8Very high13 Ų1332.4 Ų32.46%0.05716%0.156CC..Hα-helixtrans-61.4-44.5175.4-174-84.2000112F430 V431 N436 M437 R438 Y439 I441 D466 Y467 A470F430-F434 WeakPolarHBondContact O-CB 3.21Å; F430-F434 PolarHBondContact O-N 2.92Å; V431-F434 PolarHBondContact O-N 3.34Å; F434-N436 VanDerWaalsContact C-N 3.35Å; F434-M437 PolarHBondContact O-N 3.49Å; F434-R438 HydrophobicContact CD1-CB 4.37Å; F434-R438 HydrophobicContact CD2-CB 4.31Å; F434-R438 HydrophobicContact CD2-CG 4.49Å; F434-R438 HydrophobicContact CE1-CB 4.14Å; F434-R438 HydrophobicContact CE2-CB 4.07Å; F434-R438 HydrophobicContact CE2-CG 4.32Å; F434-R438 HydrophobicContact CG-CB 4.46Å; F434-R438 HydrophobicContact CZ-CB 3.98Å; F434-R438 WeakPolarHBondContact O-CA 3.06Å; F434-R438 WeakPolarHBondContact O-CB 3.5Å; F434-R438 PolarHBondContact O-N 3.12Å; F434-Y439 HydrophobicContact CE1-CD2 4.43Å; F434-Y439 HydrophobicContact CZ-CD2 4.26Å; F434-Y439 PolarHBondContact O-N 2.91Å; F434-I441 HydrophobicContact CD1-CD1 3.83Å; F434-I441 HydrophobicContact CD1-CG1 3.8Å; F434-I441 HydrophobicContact CE1-CG1 4.06Å; F434-D466 HydrophobicContact CE2-CB 4.19Å; F434-Y467 AromaticContact CE1-CD2 3.84Å; F434-Y467 HydrophobicContact CE1-CD2 3.84Å; F434-Y467 HydrophobicContact CE1-CE2 4.44Å; F434-Y467 AromaticContact CZ-CD2 3.99Å; F434-Y467 HydrophobicContact CZ-CD2 3.99Å; F434-Y467 HydrophobicContact CZ-CG 4.48Å; F434-A470 HydrophobicContact CB-CB 4.37Å; F434-A470 HydrophobicContact CD1-CB 3.9Å; F434-A470 HydrophobicContact CD2-CB 4.08Å; F434-A470 HydrophobicContact CE1-CB 4.19Å; F434-A470 HydrophobicContact CE2-CB 4.35Å; F434-A470 HydrophobicContact CG-CB 3.84Å; F434-A470 HydrophobicContact CZ-CB 4.4Å
435E94.3Very high94.4Very high0 Ų033.3 Ų33.30%016%0.162CC..Hα-helixtrans-68.1-34.5178.1-72-173.9145.100112.8V431 T432 E433 Y439 I441 K474 G591 H592V431-E435 WeakPolarHBondContact O-CG 3.18Å; V431-E435 PolarHBondContact O-N 2.95Å; T432-E435 PolarHBondContact O-N 3.25Å; E433-E435 PolarHBondContact O-N 3.12Å; E435-Y439 WeakPolarHBondContact CA-O 3.34Å; E435-I441 HydrophobicContact CG-CB 4.37Å; E435-I441 HydrophobicContact CG-CD1 3.72Å; E435-I441 HydrophobicContact CG-CG1 3.82Å; E435-I441 PolarHBondContact OE1-N 3.47Å; E435-K474 IonicContact OE1-NZ 3.91Å; E435-K474 PolarHBondContact OE1-NZ 3.22Å; E435-G591 WeakPolarHBondContact OE1-CA 3.19Å; E435-G591 PolarHBondContact OE1-N 2.99Å; E435-G591 WeakPolarHBondContact OE2-CA 3.38Å; E435-H592 IonicContact OE2-CG 3.68Å; E435-H592 PolarHBondContact OE2-N 2.65Å; E435-H592 VanDerWaalsContact OE2-N 3.11Å; E435-H592 IonicContact OE2-ND1 3.91Å; E435-H592 PolarHBondContact OE2-ND1 3.26Å; E435-H592 VanDerWaalsContact OE2-ND1 3.1Å
436N91.9Very high93.8Very high39 Ų3935.8 Ų35.821%0.20918%0.182CC..Hα-helixtrans-67.3-44.2174.7-79.2-40.5000112.1T432 E433 F434 H592 R619T432-N436 WeakPolarHBondContact O-CB 3.42Å; T432-N436 VanDerWaalsContact O-CG 3.27Å; T432-N436 PolarHBondContact O-N 2.76Å; T432-N436 PolarHBondContact O-ND2 3.1Å; E433-N436 PolarHBondContact O-N 3.09Å; F434-N436 VanDerWaalsContact C-N 3.35Å; N436-H592 VanDerWaalsContact CG-CE1 3.41Å; N436-H592 PolarHBondContact ND2-CE1 3.43Å; N436-H592 PolarHBondContact ND2-NE2 3.33Å; N436-H592 VanDerWaalsContact ND2-NE2 3.16Å; N436-H592 PolarHBondContact OD1-CE1 2.91Å; N436-H592 PolarHBondContact OD1-NE2 3.23Å; N436-R619 PolarHBondContact OD1-O 3.06Å; N436-R619 VanDerWaalsContact OD1-O 3.06Å
437M90.4Very high93Very high114 Ų11438 Ų3856%0.56219%0.188SC*.Hα-helixtrans-89.6-41.3-173.3-64.3-167.2-59.600113.4E433 F434 R619E433-M437 HydrophobicContact CB-CE 4.47Å; E433-M437 HydrophobicContact CG-CE 3.62Å; E433-M437 HydrophobicContact CG-SD 4.22Å; E433-M437 WeakPolarHBondContact O-CB 3.4Å; E433-M437 WeakPolarHBondContact O-CG 3.4Å; E433-M437 PolarHBondContact O-N 3.22Å; E433-M437 WeakPolarHBondContact OE1-CE 3.35Å; F434-M437 PolarHBondContact O-N 3.49Å; M437-R619 PolarHBondContact O-NH1 2.95Å
438R87.9Confident92.2Very high65 Ų6539 Ų3925%0.24519%0.194CC..THydrogen-bonded Turntrans-113.5-77-165.4-68.7-151.4-174.6175.417.5114.9F434 D466 R619 E1050F434-R438 HydrophobicContact CD1-CB 4.37Å; F434-R438 HydrophobicContact CD2-CB 4.31Å; F434-R438 HydrophobicContact CD2-CG 4.49Å; F434-R438 HydrophobicContact CE1-CB 4.14Å; F434-R438 HydrophobicContact CE2-CB 4.07Å; F434-R438 HydrophobicContact CE2-CG 4.32Å; F434-R438 HydrophobicContact CG-CB 4.46Å; F434-R438 HydrophobicContact CZ-CB 3.98Å; F434-R438 WeakPolarHBondContact O-CA 3.06Å; F434-R438 WeakPolarHBondContact O-CB 3.5Å; F434-R438 PolarHBondContact O-N 3.12Å; R438-D466 IonicContact CZ-OD2 3.62Å; R438-D466 VanDerWaalsContact CZ-OD2 3.22Å; R438-D466 IonicContact NH1-OD2 3.97Å; R438-D466 PolarHBondContact NH1-OD2 2.81Å; R438-D466 IonicContact NH2-OD2 3.88Å; R438-D466 PolarHBondContact NH2-OD2 3.24Å; R438-R619 PolarHBondContact O-NH1 2.78Å; R438-R619 PolarHBondContact O-NH2 2.59Å; R438-E1050 IonicContact CZ-OE1 2.8Å; R438-E1050 IonicContact NH1-OE1 2.75Å; R438-E1050 PolarHBondContact NH1-OE1 2.91Å; R438-E1050 IonicContact NH1-OE2 2.82Å
439Y89.5Confident90.9Very high11 Ų1145.6 Ų45.64%0.04324%0.235CC..  trans-151150.9-174.9-53.1-75.1000110.8F434 E435 T453 Y454 F455 Y467 Y1053F434-Y439 HydrophobicContact CE1-CD2 4.43Å; F434-Y439 HydrophobicContact CZ-CD2 4.26Å; F434-Y439 PolarHBondContact O-N 2.91Å; E435-Y439 WeakPolarHBondContact CA-O 3.34Å; Y439-T453 HydrophobicContact CD1-CG2 3.81Å; Y439-T453 HydrophobicContact CD2-CG2 4.3Å; Y439-T453 HydrophobicContact CG-CG2 3.7Å; Y439-Y454 HydrophobicContact CE1-CD1 4.46Å; Y439-Y454 AromaticContact CZ-CD1 4Å; Y439-Y454 VanDerWaalsContact OH-CD1 3.3Å; Y439-Y454 WeakPolarHBondContact OH-CD1 3.34Å; Y439-Y454 WeakPolarHBondContact OH-CE1 3.49Å; Y439-F455 HydrophobicContact CE2-CE1 4.19Å; Y439-Y467 HydrophobicContact CD2-CD2 4.48Å; Y439-Y1053 WeakPolarHBondContact OH-CD1 3.09Å; Y439-Y1053 WeakPolarHBondContact OH-CE1 3.41Å
440G91.2Very high89.8Confident11 Ų1145 Ų4511%0.11324%0.241CC..  trans-64.5133.2168.400000111.5Y467 A590G440-Y467 PolarHBondContact O-OH 2.89Å; G440-A590 VanDerWaalsContact C-CB 3.42Å; G440-A590 VanDerWaalsContact CA-CB 3.45Å
441I94.9Very high88.8Confident0 Ų046.7 Ų46.70%025%0.248CC..  trans-93.9117.2-177.9-56.1158.1000109.2V431 F434 E435 L443 Y467 A470 K474 A590V431-I441 HydrophobicContact CG1-CD1 3.99Å; V431-I441 HydrophobicContact CG2-CD1 4.49Å; F434-I441 HydrophobicContact CD1-CD1 3.83Å; F434-I441 HydrophobicContact CD1-CG1 3.8Å; F434-I441 HydrophobicContact CE1-CG1 4.06Å; E435-I441 HydrophobicContact CG-CB 4.37Å; E435-I441 HydrophobicContact CG-CD1 3.72Å; E435-I441 HydrophobicContact CG-CG1 3.82Å; E435-I441 PolarHBondContact OE1-N 3.47Å; I441-L443 HydrophobicContact CG2-CD2 4.35Å; I441-Y467 WeakPolarHBondContact CA-OH 3.48Å; I441-A470 HydrophobicContact CD1-CB 3.55Å; I441-A470 HydrophobicContact CG1-CB 4.15Å; I441-K474 HydrophobicContact CB-CD 3.68Å; I441-K474 HydrophobicContact CD1-CD 4.38Å; I441-K474 HydrophobicContact CG2-CB 4.2Å; I441-K474 HydrophobicContact CG2-CD 3.61Å; I441-K474 HydrophobicContact CG2-CG 4.49Å; I441-K474 PolarHBondContact O-NZ 3.42Å; I441-A590 WeakPolarHBondContact O-CA 3.02Å
442V94.7Very high88Confident2 Ų250 Ų501%0.01227%0.265CS..  trans-108.1127.8175.4-178.30000108D444 P445 L452 L457 Y467 A590V442-D444 WeakPolarHBondContact CG1-O 3.37Å; V442-P445 HydrophobicContact CG1-CB 4.39Å; V442-L452 HydrophobicContact CG2-CD1 3.39Å; V442-L457 HydrophobicContact CB-CD1 4.15Å; V442-L457 HydrophobicContact CG2-CD1 4.49Å; V442-Y467 PolarHBondContact N-OH 3.1Å; V442-A590 HydrophobicContact CG2-CB 3.79Å
443L95.2Very high87.7Confident0 Ų050.4 Ų50.40%027%0.267CS..SBendtrans-85.9-39.9-179.3-61.8-175.3000112.1W397 I441 Y471 K474 V478 A587W397-L443 HydrophobicContact CB-CB 3.79Å; W397-L443 HydrophobicContact CB-CD1 4.29Å; W397-L443 HydrophobicContact CB-CD2 4.18Å; W397-L443 HydrophobicContact CB-CG 4.31Å; W397-L443 HydrophobicContact CD2-CB 4.2Å; W397-L443 HydrophobicContact CD2-CD1 4.26Å; W397-L443 HydrophobicContact CE3-CD1 4.02Å; W397-L443 HydrophobicContact CG-CB 3.75Å; W397-L443 HydrophobicContact CG-CD1 4.41Å; I441-L443 HydrophobicContact CG2-CD2 4.35Å; L443-Y471 HydrophobicContact CB-CE2 4.42Å; L443-Y471 HydrophobicContact CD2-CD2 3.82Å; L443-Y471 HydrophobicContact CD2-CE2 3.96Å; L443-Y471 HydrophobicContact CD2-CG 4.22Å; L443-Y471 WeakPolarHBondContact O-CE2 3.34Å; L443-Y471 PolarHBondContact O-OH 2.83Å; L443-K474 HydrophobicContact CD1-CG 4.31Å; L443-K474 HydrophobicContact CD2-CB 4.12Å; L443-K474 HydrophobicContact CD2-CD 4.36Å; L443-K474 HydrophobicContact CD2-CG 4.16Å; L443-K474 HydrophobicContact CG-CD 4.45Å; L443-K474 HydrophobicContact CG-CG 4.38Å; L443-V478 HydrophobicContact CD1-CB 4.06Å; L443-V478 HydrophobicContact CD1-CG1 4.38Å; L443-V478 HydrophobicContact CD1-CG2 3.74Å; L443-A587 HydrophobicContact CB-CB 4.18Å; L443-A587 HydrophobicContact CD1-CB 4.49Å; L443-A587 PolarHBondContact N-O 3.44Å
444D93.2Very high87.3Confident7 Ų745.8 Ų45.84%0.03725%0.245CC..  trans-120.497.6176.8174.56.7000109.6V442 S446 A587V442-D444 WeakPolarHBondContact CG1-O 3.37Å; D444-S446 VanDerWaalsContact C-N 3.26Å; D444-S446 VanDerWaalsContact CG-OG 3.3Å; D444-S446 PolarHBondContact O-N 2.96Å; D444-S446 WeakPolarHBondContact OD1-CB 3.3Å; D444-S446 PolarHBondContact OD1-N 3.48Å; D444-S446 PolarHBondContact OD1-OG 3.14Å; D444-S446 PolarHBondContact OD2-OG 3.34Å; D444-A587 PolarHBondContact N-O 2.97Å
445P89.9Confident87.1Confident19 Ų1945.2 Ų45.212%0.12324%0.243CC..G310 helixtrans-80.20.7-178.632.9-34.4000113.7V442 K447 L448 L457V442-P445 HydrophobicContact CG1-CB 4.39Å; P445-K447 PolarHBondContact O-N 3.22Å; P445-L448 VanDerWaalsContact O-CB 3.23Å; P445-L448 WeakPolarHBondContact O-CB 3.12Å; P445-L448 PolarHBondContact O-N 3.28Å; P445-L457 HydrophobicContact CB-CB 3.91Å; P445-L457 HydrophobicContact CG-CB 4.15Å
446S85.4Confident86.8Confident79 Ų7947.8 Ų47.855%0.55226%0.257SS*.G310 helixtrans-58.5-22.3-174.263.70000114.8D444D444-S446 VanDerWaalsContact C-N 3.26Å; D444-S446 VanDerWaalsContact CG-OG 3.3Å; D444-S446 PolarHBondContact O-N 2.96Å; D444-S446 WeakPolarHBondContact OD1-CB 3.3Å; D444-S446 PolarHBondContact OD1-N 3.48Å; D444-S446 PolarHBondContact OD1-OG 3.14Å; D444-S446 PolarHBondContact OD2-OG 3.34Å
447K79.2Confident86.8Confident117 Ų11746.3 Ų46.351%0.50925%0.249SC..G310 helixtrans-106.88.6179.7-59.5-179.2-169.3159.10113.6P445 T449 N584P445-K447 PolarHBondContact O-N 3.22Å; K447-T449 PolarHBondContact O-N 3.2Å; K447-N584 PolarHBondContact NZ-OD1 3Å
448L81.2Confident86.6Confident63 Ų6343.3 Ų43.333%0.3324%0.239SC..  trans-74.5122.1-174.1-171.565.7000110.7P445 S450 L452 L457P445-L448 VanDerWaalsContact O-CB 3.23Å; P445-L448 WeakPolarHBondContact O-CB 3.12Å; P445-L448 PolarHBondContact O-N 3.28Å; L448-S450 WeakPolarHBondContact CD1-O 3.44Å; L448-S450 WeakPolarHBondContact CD2-O 3.46Å; L448-S450 WeakPolarHBondContact CG-O 3.48Å; L448-L452 HydrophobicContact CD1-CD1 3.56Å; L448-L452 HydrophobicContact CD1-CG 4.12Å; L448-L452 HydrophobicContact CD2-CD1 4.21Å; L448-L457 HydrophobicContact CD2-CD1 4.36Å
449T71.7Confident86.6Confident141 Ų14140.6 Ų40.687%0.86523%0.23SC*.  trans-98.9-13.9179.855.30000113.7K447K447-T449 PolarHBondContact O-N 3.2Å
450S73.5Confident86.6Confident75 Ų7540.9 Ų40.952%0.52423%0.234SC..SBendtrans-138.3146.2-176.666.80000112.2L448 L452L448-S450 WeakPolarHBondContact CD1-O 3.44Å; L448-S450 WeakPolarHBondContact CD2-O 3.46Å; L448-S450 WeakPolarHBondContact CG-O 3.48Å; S450-L452 PolarHBondContact O-N 2.83Å
451K75.7Confident86.5Confident111 Ų11140.7 Ų40.748%0.48323%0.23SC..  trans-75.8111.5-175.6-150.5-177.2174.7173.50110.7T453 Y454K451-T453 WeakPolarHBondContact CE-O 3.45Å; K451-T453 WeakPolarHBondContact CG-O 3.46Å; K451-Y454 WeakPolarHBondContact CE-O 3.32Å; K451-Y454 PolarHBondContact NZ-O 3.32Å
452L81.7Confident86.4Confident71 Ų7140.8 Ų40.837%0.37223%0.23SC..  trans-86.8-24.9-179.6-74165000113.8V442 L448 S450 A590V442-L452 HydrophobicContact CG2-CD1 3.39Å; L448-L452 HydrophobicContact CD1-CD1 3.56Å; L448-L452 HydrophobicContact CD1-CG 4.12Å; L448-L452 HydrophobicContact CD2-CD1 4.21Å; S450-L452 PolarHBondContact O-N 2.83Å; L452-A590 HydrophobicContact CD1-CB 4.38Å
453T89.1Confident86.2Confident12 Ų1241.3 Ų41.37%0.07423%0.233CC..SBendtrans-120.8167.1-176420000109.9Y439 K451 F455 L457 Y467Y439-T453 HydrophobicContact CD1-CG2 3.81Å; Y439-T453 HydrophobicContact CD2-CG2 4.3Å; Y439-T453 HydrophobicContact CG-CG2 3.7Å; K451-T453 WeakPolarHBondContact CE-O 3.45Å; K451-T453 WeakPolarHBondContact CG-O 3.46Å; T453-F455 VanDerWaalsContact C-N 3.34Å; T453-F455 WeakPolarHBondContact CB-O 3.43Å; T453-F455 HydrophobicContact CG2-CE1 4.17Å; T453-F455 HydrophobicContact CG2-CE2 4.09Å; T453-F455 HydrophobicContact CG2-CZ 3.8Å; T453-F455 PolarHBondContact OG1-O 2.88Å; T453-L457 HydrophobicContact CG2-CD2 4.4Å; T453-Y467 HydrophobicContact CG2-CD2 4.49Å; T453-Y467 HydrophobicContact CG2-CE2 4.11Å
454Y87.1Confident86Confident11 Ų1141.3 Ų41.34%0.04323%0.233CC..SBendtrans-76.6-26.4171.877.4-91.7000111.8L131 E135 Y439 K451 E1050 Y1053L131-Y454 HydrophobicContact CD2-CD2 3.49Å; L131-Y454 VanDerWaalsContact CD2-CD2 3.49Å; L131-Y454 HydrophobicContact CD2-CE2 3.64Å; L131-Y454 HydrophobicContact CD2-CG 4.19Å; L131-Y454 HydrophobicContact CG-CD2 4.09Å; L131-Y454 HydrophobicContact CG-CE2 4.27Å; E135-Y454 HydrophobicContact CG-CD2 3.86Å; E135-Y454 HydrophobicContact CG-CE2 4.23Å; E135-Y454 WeakPolarHBondContact OE1-CE2 3.42Å; Y439-Y454 HydrophobicContact CE1-CD1 4.46Å; Y439-Y454 AromaticContact CZ-CD1 4Å; Y439-Y454 VanDerWaalsContact OH-CD1 3.3Å; Y439-Y454 WeakPolarHBondContact OH-CD1 3.34Å; Y439-Y454 WeakPolarHBondContact OH-CE1 3.49Å; K451-Y454 WeakPolarHBondContact CE-O 3.32Å; K451-Y454 PolarHBondContact NZ-O 3.32Å; Y454-E1050 WeakPolarHBondContact OH-CA 3.5Å; Y454-E1050 WeakPolarHBondContact OH-CB 3.42Å; Y454-E1050 PolarHBondContact OH-N 3.4Å; Y454-E1050 VanDerWaalsContact OH-N 3.14Å; Y454-Y1053 HydrophobicContact CD1-CD1 4.14Å; Y454-Y1053 AromaticContact CD1-CD2 3.86Å; Y454-Y1053 HydrophobicContact CD1-CD2 3.86Å; Y454-Y1053 HydrophobicContact CD1-CE1 4.43Å; Y454-Y1053 HydrophobicContact CD1-CE2 4.14Å; Y454-Y1053 AromaticContact CD1-CG 3.84Å; Y454-Y1053 HydrophobicContact CD1-CG 3.84Å; Y454-Y1053 HydrophobicContact CE1-CD1 4.18Å; Y454-Y1053 HydrophobicContact CE1-CD2 4.38Å; Y454-Y1053 AromaticContact CE1-CG 3.93Å; Y454-Y1053 HydrophobicContact CE1-CG 3.93Å; Y454-Y1053 AromaticContact CG-CD2 3.95Å; Y454-Y1053 HydrophobicContact CG-CD2 3.95Å; Y454-Y1053 HydrophobicContact CG-CE2 4.26Å; Y454-Y1053 HydrophobicContact CG-CG 4.33Å
455F90.6Very high85.9Confident1 Ų141.9 Ų41.90%0.00424%0.237CC..SBendtrans-95.3167.7172.455.5-91.2000112.1E135 Y439 T453 L457 L462 I463 Y467E135-F455 WeakPolarHBondContact OE2-CA 3.27Å; E135-F455 WeakPolarHBondContact OE2-CB 3.47Å; Y439-F455 HydrophobicContact CE2-CE1 4.19Å; T453-F455 VanDerWaalsContact C-N 3.34Å; T453-F455 WeakPolarHBondContact CB-O 3.43Å; T453-F455 HydrophobicContact CG2-CE1 4.17Å; T453-F455 HydrophobicContact CG2-CE2 4.09Å; T453-F455 HydrophobicContact CG2-CZ 3.8Å; T453-F455 PolarHBondContact OG1-O 2.88Å; F455-L457 HydrophobicContact CD2-CD2 4.02Å; F455-L457 HydrophobicContact CE2-CD2 3.56Å; F455-L462 WeakPolarHBondContact CB-O 3.36Å; F455-L462 WeakPolarHBondContact CD2-O 3.35Å; F455-I463 HydrophobicContact CD2-CG1 4.42Å; F455-I463 HydrophobicContact CE2-CB 4.45Å; F455-I463 HydrophobicContact CE2-CG1 4.3Å; F455-I463 HydrophobicContact CE2-CG2 4.35Å; F455-Y467 HydrophobicContact CE2-CD1 4.46Å; F455-Y467 HydrophobicContact CE2-CD2 4.4Å; F455-Y467 HydrophobicContact CE2-CG 4.2Å; F455-Y467 AromaticContact CZ-CD2 3.89Å; F455-Y467 HydrophobicContact CZ-CD2 3.89Å; F455-Y467 AromaticContact CZ-CG 3.89Å; F455-Y467 HydrophobicContact CZ-CG 3.89Å
456D89.3Confident85.9Confident54 Ų5442.3 Ų42.329%0.28924%0.238SC..  trans-88.4150175.6-156.7-52.5000111.7T139 S458 L462T139-D456 HydrophobicContact CG2-CB 4.09Å; D456-S458 VanDerWaalsContact CG-OG 3.23Å; D456-S458 VanDerWaalsContact OD1-CB 3.27Å; D456-S458 WeakPolarHBondContact OD1-CB 3.31Å; D456-S458 PolarHBondContact OD1-N 3.41Å; D456-S458 PolarHBondContact OD1-OG 2.95Å; D456-L462 HydrophobicContact CB-CD1 3.75Å
457L91.3Very high86.4Confident8 Ų838.6 Ų38.64%0.04221%0.212CC..SBendtrans-102-7.8-178.5-58.7180000113.3W393 V442 P445 L448 T453 F455 S459 I463 Y467W393-L457 PolarHBondContact NE1-O 2.99Å; V442-L457 HydrophobicContact CB-CD1 4.15Å; V442-L457 HydrophobicContact CG2-CD1 4.49Å; P445-L457 HydrophobicContact CB-CB 3.91Å; P445-L457 HydrophobicContact CG-CB 4.15Å; L448-L457 HydrophobicContact CD2-CD1 4.36Å; T453-L457 HydrophobicContact CG2-CD2 4.4Å; F455-L457 HydrophobicContact CD2-CD2 4.02Å; F455-L457 HydrophobicContact CE2-CD2 3.56Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 3.19Å; L457-I463 HydrophobicContact CD2-CG1 4.34Å; L457-Y467 WeakPolarHBondContact CD1-OH 3.41Å; L457-Y467 HydrophobicContact CD2-CD1 4.35Å; L457-Y467 HydrophobicContact CD2-CE1 3.7Å; L457-Y467 HydrophobicContact CD2-CE2 4.35Å
458S86.2Confident87Confident52 Ų5234.8 Ų34.836%0.36420%0.197SC..SBendtrans-68.6-19.9-175.152.10000114.5D456D456-S458 VanDerWaalsContact CG-OG 3.23Å; D456-S458 VanDerWaalsContact OD1-CB 3.27Å; D456-S458 WeakPolarHBondContact OD1-CB 3.31Å; D456-S458 PolarHBondContact OD1-N 3.41Å; D456-S458 PolarHBondContact OD1-OG 2.95Å
459S89Confident87.6Confident8 Ų833.8 Ų33.86%0.05620%0.195CC..SBendtrans-134.5146.2-179.2178.30000112.4V142 L457 H461 L462 I463V142-S459 WeakPolarHBondContact CG1-OG 3.48Å; L457-S459 VanDerWaalsContact C-N 3.27Å; L457-S459 PolarHBondContact O-N 3.19Å; S459-H461 PolarHBondContact O-N 2.83Å; S459-H461 PolarHBondContact OG-N 3.46Å; S459-L462 PolarHBondContact O-N 2.74Å; S459-I463 WeakPolarHBondContact O-CD1 3.43Å; S459-I463 WeakPolarHBondContact O-CG1 3.46Å
460S88.4Confident88.8Confident16 Ų1627.1 Ų27.111%0.11215%0.154CC..G310 helixtrans-61.4-28.1174.4600000113P211 L462P211-S460 PolarHBondContact O-OG 3.15Å; S460-L462 PolarHBondContact O-N 2.93Å
461H90Very high89.9Confident7 Ų723.8 Ų23.83%0.03213%0.13CC..G310 helixtrans-76.5-10.5-175.8-66.6-172.7000113.5Y138 V142 P211 N212 S459 P1042 C1046Y138-H461 PolarHBondContact OH-O 3Å; Y138-H461 VanDerWaalsContact OH-O 3.05Å; V142-H461 HydrophobicContact CG1-CB 4.31Å; V142-H461 HydrophobicContact CG2-CB 4.27Å; P211-H461 PolarHBondContact O-NE2 3.49Å; N212-H461 PolarHBondContact O-CE1 3.04Å; N212-H461 PolarHBondContact O-NE2 3.35Å; S459-H461 PolarHBondContact O-N 2.83Å; S459-H461 PolarHBondContact OG-N 3.46Å; H461-P1042 HydrophobicContact CB-CB 3.92Å; H461-C1046 PolarHBondContact O-SG 2.88Å
462L91.9Very high90.9Very high3 Ų322.7 Ų22.72%0.01613%0.125CC..G310 helixtrans-105.6-10.8-175.4-61.3174.2000112.6Y138 T139 V142 F455 D456 S459 S460Y138-L462 HydrophobicContact CD1-CD2 3.43Å; Y138-L462 VanDerWaalsContact CD1-CD2 3.43Å; Y138-L462 HydrophobicContact CD2-CD2 4.26Å; Y138-L462 HydrophobicContact CE1-CD2 3.52Å; Y138-L462 HydrophobicContact CE2-CD2 4.3Å; Y138-L462 HydrophobicContact CG-CD2 3.83Å; T139-L462 HydrophobicContact CG2-CD1 4.08Å; V142-L462 HydrophobicContact CB-CD1 4.38Å; V142-L462 HydrophobicContact CB-CD2 4.26Å; V142-L462 HydrophobicContact CB-CG 4.41Å; V142-L462 HydrophobicContact CG1-CD1 4.41Å; V142-L462 HydrophobicContact CG1-CG 4.4Å; V142-L462 HydrophobicContact CG2-CD2 3.7Å; V142-L462 HydrophobicContact CG2-CG 4.19Å; F455-L462 WeakPolarHBondContact CB-O 3.36Å; F455-L462 WeakPolarHBondContact CD2-O 3.35Å; D456-L462 HydrophobicContact CB-CD1 3.75Å; S459-L462 PolarHBondContact O-N 2.74Å; S460-L462 PolarHBondContact O-N 2.93Å
463I91.7Very high91.7Very high12 Ų1221.7 Ų21.76%0.06212%0.118CC..SBendtrans-89.9135.4-169-69.1166.1000111.5W393 F455 L457 S459 Y467 L468W393-I463 HydrophobicContact CZ2-CD1 3.59Å; W393-I463 VanDerWaalsContact NE1-CD1 3.26Å; F455-I463 HydrophobicContact CD2-CG1 4.42Å; F455-I463 HydrophobicContact CE2-CB 4.45Å; F455-I463 HydrophobicContact CE2-CG1 4.3Å; F455-I463 HydrophobicContact CE2-CG2 4.35Å; L457-I463 HydrophobicContact CD2-CG1 4.34Å; S459-I463 WeakPolarHBondContact O-CD1 3.43Å; S459-I463 WeakPolarHBondContact O-CG1 3.46Å; I463-Y467 HydrophobicContact CG2-CD1 3.61Å; I463-Y467 HydrophobicContact CG2-CG 4.19Å; I463-L468 HydrophobicContact CG2-CB 4.18Å
464S90.6Very high92.1Very high0 Ų021.1 Ų21.10%012%0.115CC..  trans-57.5139.5171154.70000112D466 Y467 L468 E1050S464-D466 VanDerWaalsContact C-N 3.28Å; S464-D466 PolarHBondContact O-N 3.38Å; S464-D466 PolarHBondContact OG-N 3.41Å; S464-Y467 WeakPolarHBondContact O-CB 3.49Å; S464-Y467 PolarHBondContact O-N 3.46Å; S464-Y467 VanDerWaalsContact O-N 3.16Å; S464-Y467 PolarHBondContact OG-N 2.98Å; S464-L468 PolarHBondContact O-N 3.16Å; S464-E1050 VanDerWaalsContact CB-OE2 3.26Å; S464-E1050 WeakPolarHBondContact CB-OE2 3.48Å; S464-E1050 PolarHBondContact OG-OE2 3.35Å
465P89.9Confident92.6Very high19 Ų1920.6 Ų20.612%0.12311%0.113CC..Hα-helixtrans-55.8-39.4174-22.431.3000113.9L468 S469 F1000 R1043 A1047P465-L468 PolarHBondContact O-N 2.99Å; P465-S469 PolarHBondContact O-N 3.29Å; P465-F1000 HydrophobicContact CB-CE2 4.28Å; P465-F1000 HydrophobicContact CB-CZ 3.81Å; P465-F1000 HydrophobicContact CG-CE2 3.69Å; P465-F1000 HydrophobicContact CG-CZ 3.73Å; P465-R1043 HydrophobicContact CB-CG 4.44Å; P465-R1043 HydrophobicContact CG-CG 3.83Å; P465-A1047 HydrophobicContact CG-CB 4.3Å
466D91Very high93Very high28 Ų2820.9 Ų20.915%0.1511%0.114CC..Hα-helixtrans-67.6-41178.6-77.5-12.4000110.8F434 R438 S464 L468 S469 A470F434-D466 HydrophobicContact CE2-CB 4.19Å; R438-D466 IonicContact CZ-OD2 3.62Å; R438-D466 VanDerWaalsContact CZ-OD2 3.22Å; R438-D466 IonicContact NH1-OD2 3.97Å; R438-D466 PolarHBondContact NH1-OD2 2.81Å; R438-D466 IonicContact NH2-OD2 3.88Å; R438-D466 PolarHBondContact NH2-OD2 3.24Å; S464-D466 VanDerWaalsContact C-N 3.28Å; S464-D466 PolarHBondContact O-N 3.38Å; S464-D466 PolarHBondContact OG-N 3.41Å; D466-L468 VanDerWaalsContact C-N 3.35Å; D466-L468 PolarHBondContact O-N 3.04Å; D466-S469 WeakPolarHBondContact O-CB 3.47Å; D466-S469 PolarHBondContact O-N 3.23Å; D466-A470 PolarHBondContact O-N 2.99Å; D466-A470 VanDerWaalsContact O-N 3.08Å
467Y94.5Very high93.4Very high2 Ų218.4 Ų18.41%0.00810%0.101CC..Hα-helixtrans-61.5-43.6173.6-171.1-83.8000111.4F434 Y439 G440 I441 V442 T453 F455 L457 I463 S464 S469 A470 Y471F434-Y467 AromaticContact CE1-CD2 3.84Å; F434-Y467 HydrophobicContact CE1-CD2 3.84Å; F434-Y467 HydrophobicContact CE1-CE2 4.44Å; F434-Y467 AromaticContact CZ-CD2 3.99Å; F434-Y467 HydrophobicContact CZ-CD2 3.99Å; F434-Y467 HydrophobicContact CZ-CG 4.48Å; Y439-Y467 HydrophobicContact CD2-CD2 4.48Å; G440-Y467 PolarHBondContact O-OH 2.89Å; I441-Y467 WeakPolarHBondContact CA-OH 3.48Å; V442-Y467 PolarHBondContact N-OH 3.1Å; T453-Y467 HydrophobicContact CG2-CD2 4.49Å; T453-Y467 HydrophobicContact CG2-CE2 4.11Å; F455-Y467 HydrophobicContact CE2-CD1 4.46Å; F455-Y467 HydrophobicContact CE2-CD2 4.4Å; F455-Y467 HydrophobicContact CE2-CG 4.2Å; F455-Y467 AromaticContact CZ-CD2 3.89Å; F455-Y467 HydrophobicContact CZ-CD2 3.89Å; F455-Y467 AromaticContact CZ-CG 3.89Å; F455-Y467 HydrophobicContact CZ-CG 3.89Å; L457-Y467 WeakPolarHBondContact CD1-OH 3.41Å; L457-Y467 HydrophobicContact CD2-CD1 4.35Å; L457-Y467 HydrophobicContact CD2-CE1 3.7Å; L457-Y467 HydrophobicContact CD2-CE2 4.35Å; I463-Y467 HydrophobicContact CG2-CD1 3.61Å; I463-Y467 HydrophobicContact CG2-CG 4.19Å; S464-Y467 WeakPolarHBondContact O-CB 3.49Å; S464-Y467 PolarHBondContact O-N 3.46Å; S464-Y467 VanDerWaalsContact O-N 3.16Å; S464-Y467 PolarHBondContact OG-N 2.98Å; Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.49Å; Y467-A470 PolarHBondContact O-N 3.32Å; Y467-Y471 HydrophobicContact CE1-CD2 4.39Å; Y467-Y471 WeakPolarHBondContact O-CB 3.46Å; Y467-Y471 PolarHBondContact O-N 2.96Å
468L93.2Very high93.8Very high37 Ų3718 Ų1819%0.19410%0.099CC..Hα-helixtrans-62.7-35.9177.1-178.460.6000112.1W393 I463 S464 P465 D466 Y471 K472W393-L468 HydrophobicContact CH2-CD1 3.93Å; W393-L468 HydrophobicContact CZ2-CD1 4.3Å; I463-L468 HydrophobicContact CG2-CB 4.18Å; S464-L468 PolarHBondContact O-N 3.16Å; P465-L468 PolarHBondContact O-N 2.99Å; D466-L468 VanDerWaalsContact C-N 3.35Å; D466-L468 PolarHBondContact O-N 3.04Å; L468-Y471 HydrophobicContact CD1-CD1 4.33Å; L468-Y471 WeakPolarHBondContact O-CB 3.49Å; L468-Y471 PolarHBondContact O-N 3.47Å; L468-K472 WeakPolarHBondContact O-CG 3.37Å; L468-K472 PolarHBondContact O-N 2.91Å
469S93.8Very high94.3Very high42 Ų4215.6 Ų15.629%0.2948%0.082SC..Hα-helixtrans-63.6-42.1174.1-174.60000112P465 D466 Y467 K473P465-S469 PolarHBondContact O-N 3.29Å; D466-S469 WeakPolarHBondContact O-CB 3.47Å; D466-S469 PolarHBondContact O-N 3.23Å; Y467-S469 VanDerWaalsContact C-N 3.29Å; Y467-S469 PolarHBondContact O-N 3.49Å; S469-K473 PolarHBondContact O-N 3.31Å; S469-K473 PolarHBondContact O-NZ 2.83Å; S469-K473 PolarHBondContact OG-NZ 3.42Å
470A96.4Very high94.7Very high0 Ų016 Ų160%08%0.082CC..Hα-helixtrans-69.1-41175.800000112F430 F434 I441 D466 Y467 K472 K473 K474F430-A470 HydrophobicContact CD1-CB 4.42Å; F430-A470 HydrophobicContact CE1-CB 3.81Å; F434-A470 HydrophobicContact CB-CB 4.37Å; F434-A470 HydrophobicContact CD1-CB 3.9Å; F434-A470 HydrophobicContact CD2-CB 4.08Å; F434-A470 HydrophobicContact CE1-CB 4.19Å; F434-A470 HydrophobicContact CE2-CB 4.35Å; F434-A470 HydrophobicContact CG-CB 3.84Å; F434-A470 HydrophobicContact CZ-CB 4.4Å; I441-A470 HydrophobicContact CD1-CB 3.55Å; I441-A470 HydrophobicContact CG1-CB 4.15Å; D466-A470 PolarHBondContact O-N 2.99Å; D466-A470 VanDerWaalsContact O-N 3.08Å; Y467-A470 PolarHBondContact O-N 3.32Å; A470-K472 PolarHBondContact O-N 2.89Å; A470-K473 PolarHBondContact O-N 3.33Å; A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.17Å
471Y96.6Very high95.2Very high6 Ų615.6 Ų15.62%0.0248%0.079CC..Hα-helixtrans-55.8-47.7175.2179.2-85.7000112.1A396 W397 Y400 L443 Y467 L468 K473 K474 S475A396-Y471 HydrophobicContact CB-CE1 4.4Å; W397-Y471 WeakPolarHBondContact CA-OH 3.19Å; W397-Y471 HydrophobicContact CB-CE1 3.95Å; W397-Y471 HydrophobicContact CB-CE2 4.46Å; W397-Y471 VanDerWaalsContact CB-OH 3.3Å; W397-Y471 WeakPolarHBondContact CB-OH 3.23Å; W397-Y471 PolarHBondContact N-OH 3.13Å; Y400-Y471 HydrophobicContact CD2-CD1 4.45Å; Y400-Y471 HydrophobicContact CD2-CE1 4.04Å; L443-Y471 HydrophobicContact CB-CE2 4.42Å; L443-Y471 HydrophobicContact CD2-CD2 3.82Å; L443-Y471 HydrophobicContact CD2-CE2 3.96Å; L443-Y471 HydrophobicContact CD2-CG 4.22Å; L443-Y471 WeakPolarHBondContact O-CE2 3.34Å; L443-Y471 PolarHBondContact O-OH 2.83Å; Y467-Y471 HydrophobicContact CE1-CD2 4.39Å; Y467-Y471 WeakPolarHBondContact O-CB 3.46Å; Y467-Y471 PolarHBondContact O-N 2.96Å; L468-Y471 HydrophobicContact CD1-CD1 4.33Å; L468-Y471 WeakPolarHBondContact O-CB 3.49Å; L468-Y471 PolarHBondContact O-N 3.47Å; Y471-K473 PolarHBondContact O-N 2.81Å; Y471-K474 PolarHBondContact O-N 3Å; Y471-S475 WeakPolarHBondContact O-CB 3.32Å; Y471-S475 PolarHBondContact O-N 3.46Å; Y471-S475 PolarHBondContact O-OG 3.34Å
472K96.7Very high95.4Very high87 Ų8715.3 Ų15.338%0.3788%0.077SC..Hα-helixtrans-61.7-44.4178.5-72.4175-178.3-175.50112.2Y400 L468 A470 S475 H476Y400-K472 HydrophobicContact CD1-CD 4.2Å; Y400-K472 HydrophobicContact CD1-CG 3.98Å; Y400-K472 HydrophobicContact CD2-CG 4.35Å; Y400-K472 HydrophobicContact CE1-CD 4.22Å; Y400-K472 VanDerWaalsContact CE1-CE 3.44Å; Y400-K472 HydrophobicContact CE1-CG 4.36Å; Y400-K472 HydrophobicContact CG-CG 3.99Å; L468-K472 WeakPolarHBondContact O-CG 3.37Å; L468-K472 PolarHBondContact O-N 2.91Å; A470-K472 PolarHBondContact O-N 2.89Å; K472-S475 WeakPolarHBondContact O-CB 3.34Å; K472-S475 PolarHBondContact O-N 3.41Å; K472-H476 PolarHBondContact O-N 2.94Å; K472-H476 VanDerWaalsContact O-N 3.15Å
473K98Very high95.7Very high51 Ų5116.1 Ų16.122%0.2228%0.081CC..Hα-helixtrans-65.6-46.7178-68.4178.3-17568.40111.6E427 F430 V431 S469 A470 Y471 S475 H476 L477E427-K473 HydrophobicContact CB-CB 4.27Å; E427-K473 HydrophobicContact CB-CD 4.4Å; E427-K473 HydrophobicContact CB-CG 4.44Å; E427-K473 HydrophobicContact CG-CB 4.32Å; E427-K473 HydrophobicContact CG-CD 4.07Å; E427-K473 HydrophobicContact CG-CG 4.01Å; F430-K473 HydrophobicContact CB-CD 4.16Å; F430-K473 HydrophobicContact CD1-CD 3.55Å; F430-K473 HydrophobicContact CE1-CD 4.11Å; F430-K473 HydrophobicContact CG-CD 3.88Å; V431-K473 HydrophobicContact CG2-CB 3.93Å; S469-K473 PolarHBondContact O-N 3.31Å; S469-K473 PolarHBondContact O-NZ 2.83Å; S469-K473 PolarHBondContact OG-NZ 3.42Å; A470-K473 PolarHBondContact O-N 3.33Å; Y471-K473 PolarHBondContact O-N 2.81Å; K473-S475 VanDerWaalsContact C-N 3.26Å; K473-S475 PolarHBondContact O-N 3.23Å; K473-H476 PolarHBondContact O-N 3.24Å; K473-H476 VanDerWaalsContact O-N 3.15Å; K473-L477 WeakPolarHBondContact O-CG 3.4Å; K473-L477 PolarHBondContact O-N 3.27Å
474K98.1Very high95.8Very high0 Ų019.1 Ų19.10%010%0.097CC..Hα-helixtrans-59.9-38.1175.3-171.5172.1-173.2170.80111.6V431 E435 I441 L443 A470 Y471 H476 L477 V478 G591 I701V431-K474 HydrophobicContact CG1-CB 4.25Å; V431-K474 HydrophobicContact CG1-CD 4.27Å; V431-K474 HydrophobicContact CG1-CG 4.3Å; V431-K474 HydrophobicContact CG2-CB 3.99Å; E435-K474 IonicContact OE1-NZ 3.91Å; E435-K474 PolarHBondContact OE1-NZ 3.22Å; I441-K474 HydrophobicContact CB-CD 3.68Å; I441-K474 HydrophobicContact CD1-CD 4.38Å; I441-K474 HydrophobicContact CG2-CB 4.2Å; I441-K474 HydrophobicContact CG2-CD 3.61Å; I441-K474 HydrophobicContact CG2-CG 4.49Å; I441-K474 PolarHBondContact O-NZ 3.42Å; L443-K474 HydrophobicContact CD1-CG 4.31Å; L443-K474 HydrophobicContact CD2-CB 4.12Å; L443-K474 HydrophobicContact CD2-CD 4.36Å; L443-K474 HydrophobicContact CD2-CG 4.16Å; L443-K474 HydrophobicContact CG-CD 4.45Å; L443-K474 HydrophobicContact CG-CG 4.38Å; A470-K474 WeakPolarHBondContact O-CB 3.49Å; A470-K474 PolarHBondContact O-N 3.17Å; Y471-K474 PolarHBondContact O-N 3Å; K474-H476 PolarHBondContact O-N 3.19Å; K474-L477 PolarHBondContact O-N 3.38Å; K474-V478 HydrophobicContact CG-CG2 4.31Å; K474-V478 WeakPolarHBondContact O-CG2 3.43Å; K474-V478 PolarHBondContact O-N 3.34Å; K474-G591 PolarHBondContact NZ-O 3Å; K474-I701 HydrophobicContact CG-CD1 4.1Å
475S98.4Very high96Very high0 Ų025.7 Ų25.70%012%0.121CC..Hα-helixtrans-58.7-46.1175.1-57.40000112.1W397 G401 Y471 K472 K473 V478 I479W397-S475 WeakPolarHBondContact CA-OG 3.33Å; W397-S475 WeakPolarHBondContact CB-OG 3.48Å; W397-S475 WeakPolarHBondContact O-CB 3.49Å; G401-S475 WeakPolarHBondContact CA-O 3.39Å; Y471-S475 WeakPolarHBondContact O-CB 3.32Å; Y471-S475 PolarHBondContact O-N 3.46Å; Y471-S475 PolarHBondContact O-OG 3.34Å; K472-S475 WeakPolarHBondContact O-CB 3.34Å; K472-S475 PolarHBondContact O-N 3.41Å; K473-S475 VanDerWaalsContact C-N 3.26Å; K473-S475 PolarHBondContact O-N 3.23Å; S475-V478 PolarHBondContact O-N 2.91Å; S475-I479 WeakPolarHBondContact O-CG1 3.13Å; S475-I479 PolarHBondContact O-N 3.47Å
476H98.3Very high96.2Very high7 Ų725.8 Ų25.83%0.03212%0.121CC..Hα-helixtrans-61.3-47.7175.2170.8-130.1000111.8G404 Y405 E427 K472 K473 K474 V478 I479 R480G404-H476 VanDerWaalsContact C-CD2 3.41Å; Y405-H476 PolarHBondContact N-CD2 2.92Å; Y405-H476 VanDerWaalsContact N-CD2 3.32Å; E427-H476 IonicContact OE1-ND1 3.15Å; E427-H476 IonicContact OE2-CE1 3.91Å; E427-H476 IonicContact OE2-CG 3.27Å; E427-H476 IonicContact OE2-ND1 3.45Å; E427-H476 PolarHBondContact OE2-ND1 2.83Å; K472-H476 PolarHBondContact O-N 2.94Å; K472-H476 VanDerWaalsContact O-N 3.15Å; K473-H476 PolarHBondContact O-N 3.24Å; K473-H476 VanDerWaalsContact O-N 3.15Å; K474-H476 PolarHBondContact O-N 3.19Å; H476-V478 VanDerWaalsContact C-N 3.34Å; H476-V478 PolarHBondContact O-N 2.91Å; H476-I479 PolarHBondContact O-N 2.9Å; H476-R480 PolarHBondContact O-N 2.76Å
477L98.3Very high96.4Very high2 Ų225.8 Ų25.81%0.0113%0.127CC..Hα-helixtrans-58.2-44.6178.6-64.9175000111.9V424 E427 M428 V431 K473 K474 I479 R480 M481 I701V424-L477 HydrophobicContact CG1-CD2 3.88Å; E427-L477 HydrophobicContact CB-CD2 4.3Å; M428-L477 HydrophobicContact CB-CD1 4.21Å; V431-L477 HydrophobicContact CB-CD1 4.34Å; V431-L477 HydrophobicContact CG2-CD1 4.05Å; K473-L477 WeakPolarHBondContact O-CG 3.4Å; K473-L477 PolarHBondContact O-N 3.27Å; K474-L477 PolarHBondContact O-N 3.38Å; L477-I479 PolarHBondContact O-N 2.97Å; L477-R480 CarbonylContact O-C 3.51Å; L477-R480 WeakPolarHBondContact O-CB 3.42Å; L477-R480 PolarHBondContact O-N 3.47Å; L477-M481 VanDerWaalsContact O-CG 3.23Å; L477-M481 WeakPolarHBondContact O-CG 3.45Å; L477-M481 PolarHBondContact O-N 3.29Å; L477-I701 HydrophobicContact CB-CD1 4.02Å; L477-I701 HydrophobicContact CB-CG1 4.17Å; L477-I701 HydrophobicContact CD1-CD1 4.31Å; L477-I701 HydrophobicContact CD1-CG1 4.21Å
478V98Very high96.4Very high0 Ų029.1 Ų29.10%014%0.143CC..Hα-helixtrans-64.5-38.7-179.4171.30000112W397 L443 K474 S475 H476 M481 L482 F582 W586 I701W397-V478 HydrophobicContact CZ3-CG1 3.96Å; L443-V478 HydrophobicContact CD1-CB 4.06Å; L443-V478 HydrophobicContact CD1-CG1 4.38Å; L443-V478 HydrophobicContact CD1-CG2 3.74Å; K474-V478 HydrophobicContact CG-CG2 4.31Å; K474-V478 WeakPolarHBondContact O-CG2 3.43Å; K474-V478 PolarHBondContact O-N 3.34Å; S475-V478 PolarHBondContact O-N 2.91Å; H476-V478 VanDerWaalsContact C-N 3.34Å; H476-V478 PolarHBondContact O-N 2.91Å; V478-M481 PolarHBondContact O-N 3.34Å; V478-L482 PolarHBondContact O-N 3.33Å; V478-L482 VanDerWaalsContact O-N 3.11Å; V478-F582 HydrophobicContact CG1-CE1 3.79Å; V478-F582 HydrophobicContact CG1-CZ 3.99Å; V478-W586 HydrophobicContact CG1-CB 4.36Å; V478-W586 HydrophobicContact CG2-CB 4.03Å; V478-I701 HydrophobicContact CG2-CD1 4.18Å
479I98.1Very high96.6Very high0 Ų031.6 Ų31.60%016%0.161CC..Hα-helixtrans-66.6-40.6173.5-64.7-57.5000111.2W397 L402 Y405 S475 H476 L477 M481 L482 E483 L491 F567W397-I479 HydrophobicContact CE3-CD1 4.47Å; W397-I479 HydrophobicContact CH2-CD1 4.5Å; W397-I479 HydrophobicContact CZ3-CD1 3.73Å; W397-I479 HydrophobicContact CZ3-CG1 4.44Å; L402-I479 HydrophobicContact CD2-CD1 4.11Å; L402-I479 HydrophobicContact CD2-CG1 4.38Å; L402-I479 HydrophobicContact CD2-CG2 3.99Å; L402-I479 HydrophobicContact CG-CD1 4.45Å; Y405-I479 HydrophobicContact CD1-CG2 4.19Å; Y405-I479 HydrophobicContact CD2-CG2 4.16Å; Y405-I479 HydrophobicContact CG-CG2 3.71Å; S475-I479 WeakPolarHBondContact O-CG1 3.13Å; S475-I479 PolarHBondContact O-N 3.47Å; H476-I479 PolarHBondContact O-N 2.9Å; L477-I479 PolarHBondContact O-N 2.97Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.99Å; I479-L482 HydrophobicContact CD1-CD1 4.21Å; I479-L482 WeakPolarHBondContact O-CB 3.44Å; I479-L482 PolarHBondContact O-N 3.29Å; I479-L482 VanDerWaalsContact O-N 3.15Å; I479-E483 PolarHBondContact O-N 3.05Å; I479-L491 HydrophobicContact CG2-CD2 4.4Å; I479-F567 HydrophobicContact CD1-CE1 4.29Å; I479-F567 HydrophobicContact CD1-CZ 4.29Å
480R97.8Very high96.8Very high16 Ų1631.6 Ų31.66%0.0616%0.16CC..Hα-helixtrans-63.2-37.6174.3-175.6-178.7170.3-80.2-4.1112.2H476 L477 L482 E483 L484 D697 L698H476-R480 PolarHBondContact O-N 2.76Å; L477-R480 CarbonylContact O-C 3.51Å; L477-R480 WeakPolarHBondContact O-CB 3.42Å; L477-R480 PolarHBondContact O-N 3.47Å; R480-L482 VanDerWaalsContact C-N 3.28Å; R480-L482 PolarHBondContact O-N 3.39Å; R480-E483 VanDerWaalsContact O-CB 3.3Å; R480-E483 WeakPolarHBondContact O-CB 3.47Å; R480-E483 PolarHBondContact O-N 2.98Å; R480-E483 VanDerWaalsContact O-N 3.15Å; R480-L484 PolarHBondContact O-N 3.05Å; R480-D697 PolarHBondContact NH1-O 3.31Å; R480-D697 PolarHBondContact NH2-O 3.29Å; R480-L698 PolarHBondContact NH1-O 2.9Å
481M97Very high96.8Very high9 Ų931.6 Ų31.64%0.04416%0.16CC..Hα-helixtrans-63.6-35.7173.9-68.1168.467.800111.9L477 V478 I479 L484 R485 F582 W586 A699 I701L477-M481 VanDerWaalsContact O-CG 3.23Å; L477-M481 WeakPolarHBondContact O-CG 3.45Å; L477-M481 PolarHBondContact O-N 3.29Å; V478-M481 PolarHBondContact O-N 3.34Å; I479-M481 VanDerWaalsContact C-N 3.33Å; I479-M481 PolarHBondContact O-N 2.99Å; M481-L484 PolarHBondContact O-N 3.19Å; M481-R485 WeakPolarHBondContact O-CB 3.44Å; M481-R485 PolarHBondContact O-N 2.8Å; M481-R485 VanDerWaalsContact O-N 3.08Å; M481-F582 HydrophobicContact CB-CE2 3.96Å; M481-F582 HydrophobicContact CB-CZ 3.87Å; M481-F582 HydrophobicContact CE-CE2 4.1Å; M481-W586 HydrophobicContact CE-CD2 3.57Å; M481-W586 HydrophobicContact CE-CE3 4.12Å; M481-W586 HydrophobicContact CE-CG 3.96Å; M481-W586 HydrophobicContact CE-CH2 4.08Å; M481-W586 HydrophobicContact CE-CZ2 3.56Å; M481-W586 HydrophobicContact CE-CZ3 4.36Å; M481-W586 HydrophobicContact SD-CD2 4.41Å; M481-A699 WeakPolarHBondContact CG-O 3.5Å; M481-I701 HydrophobicContact SD-CD1 3.93Å; M481-I701 HydrophobicContact SD-CG1 3.66Å
482L96.1Very high96.8Very high0 Ų032.7 Ų32.70%017%0.166CC..Hα-helixtrans-65-41.3171.2-74.8171.6000111.9V478 I479 R480 L484 R485 L486 F567 I579 F582V478-L482 PolarHBondContact O-N 3.33Å; V478-L482 VanDerWaalsContact O-N 3.11Å; I479-L482 HydrophobicContact CD1-CD1 4.21Å; I479-L482 WeakPolarHBondContact O-CB 3.44Å; I479-L482 PolarHBondContact O-N 3.29Å; I479-L482 VanDerWaalsContact O-N 3.15Å; R480-L482 VanDerWaalsContact C-N 3.28Å; R480-L482 PolarHBondContact O-N 3.39Å; L482-L484 PolarHBondContact O-N 3.36Å; L482-R485 PolarHBondContact O-N 2.73Å; L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 3.18Å; L482-F567 HydrophobicContact CD1-CE1 3.93Å; L482-I579 HydrophobicContact CD1-CD1 4.45Å; L482-I579 HydrophobicContact CD2-CD1 4.11Å; L482-I579 HydrophobicContact CD2-CG2 4.34Å; L482-F582 HydrophobicContact CD1-CE1 3.91Å; L482-F582 HydrophobicContact CD2-CD1 3.45Å; L482-F582 VanDerWaalsContact CD2-CD1 3.45Å; L482-F582 HydrophobicContact CD2-CD2 4.47Å; L482-F582 HydrophobicContact CD2-CE1 3.34Å; L482-F582 HydrophobicContact CD2-CE2 4.35Å; L482-F582 HydrophobicContact CD2-CG 4.05Å; L482-F582 HydrophobicContact CD2-CZ 3.82Å; L482-F582 HydrophobicContact CG-CD1 4.01Å; L482-F582 HydrophobicContact CG-CE1 3.35Å; L482-F582 HydrophobicContact CG-CZ 3.67Å
483E96.3Very high96.8Very high20 Ų2034.1 Ų34.19%0.09317%0.173CC..Hα-helixtrans-55.6-50.3173.1-176.4-157.5-172.100110.8Y405 I479 R480 R485 L486 G487 Q488 L491Y405-E483 HydrophobicContact CE2-CB 3.96Å; Y405-E483 HydrophobicContact CE2-CG 4Å; Y405-E483 WeakPolarHBondContact CE2-OE2 3.45Å; Y405-E483 VanDerWaalsContact OH-CD 3.26Å; Y405-E483 WeakPolarHBondContact OH-CG 3.3Å; Y405-E483 PolarHBondContact OH-OE1 2.86Å; I479-E483 PolarHBondContact O-N 3.05Å; R480-E483 VanDerWaalsContact O-CB 3.3Å; R480-E483 WeakPolarHBondContact O-CB 3.47Å; R480-E483 PolarHBondContact O-N 2.98Å; R480-E483 VanDerWaalsContact O-N 3.15Å; E483-R485 VanDerWaalsContact C-N 3.26Å; E483-R485 PolarHBondContact O-N 2.77Å; E483-L486 PolarHBondContact O-N 3.03Å; E483-G487 CarbonylContact O-C 3.56Å; E483-G487 WeakPolarHBondContact O-CA 3.41Å; E483-G487 PolarHBondContact O-N 2.94Å; E483-Q488 HydrophobicContact CG-CB 3.95Å; E483-Q488 HydrophobicContact CG-CG 4.46Å; E483-Q488 WeakPolarHBondContact OE1-CB 3.26Å; E483-Q488 WeakPolarHBondContact OE1-CG 3.48Å; E483-Q488 PolarHBondContact OE1-NE2 3.14Å; E483-L491 HydrophobicContact CB-CD2 3.7Å; E483-L491 HydrophobicContact CG-CD2 4.32Å
484L95.4Very high96.8Very high76 Ų7631.7 Ų31.740%0.39816%0.163SC..Hα-helixtrans-63.5-32.4-178.9-69.3175.6000112.6R480 M481 L482 A699R480-L484 PolarHBondContact O-N 3.05Å; M481-L484 PolarHBondContact O-N 3.19Å; L482-L484 PolarHBondContact O-N 3.36Å; L484-A699 HydrophobicContact CD1-CB 4.08Å
485R93.3Very high96.8Very high137 Ų13731.7 Ų31.752%0.51716%0.163SC..Hα-helixtrans-79.1-40.9179.6-176.5172.9177.3160.50.2113.5M481 L482 E483M481-R485 WeakPolarHBondContact O-CB 3.44Å; M481-R485 PolarHBondContact O-N 2.8Å; M481-R485 VanDerWaalsContact O-N 3.08Å; L482-R485 PolarHBondContact O-N 2.73Å; E483-R485 VanDerWaalsContact C-N 3.26Å; E483-R485 PolarHBondContact O-N 2.77Å
486L94.5Very high96.7Very high21 Ų2133.7 Ų33.711%0.1117%0.174CC..Hα-helixtrans-92.9-24.5-174.9-61.6176.7000112.8L482 E483 V490 I571 T575L482-L486 WeakPolarHBondContact O-CB 3.36Å; L482-L486 WeakPolarHBondContact O-CG 3.45Å; L482-L486 PolarHBondContact O-N 3.18Å; E483-L486 PolarHBondContact O-N 3.03Å; L486-V490 HydrophobicContact CB-CG1 4.43Å; L486-I571 HydrophobicContact CD1-CG2 4.02Å; L486-T575 HydrophobicContact CD2-CG2 4.41Å
487G95.5Very high96.6Very high28 Ų2836.7 Ų36.729%0.28919%0.187SC..  trans90.6139-167.100000112E483 V490 L491E483-G487 CarbonylContact O-C 3.56Å; E483-G487 WeakPolarHBondContact O-CA 3.41Å; E483-G487 PolarHBondContact O-N 2.94Å; G487-V490 PolarHBondContact O-N 2.87Å; G487-L491 PolarHBondContact O-N 2.89Å; G487-L491 VanDerWaalsContact O-N 3.07Å
488Q95.8Very high96.5Very high73 Ų7337.1 Ų37.134%0.34119%0.189SC..Hα-helixtrans-54.1-47.4-179.6-177.9177.786.400114.1E483 V490 L491 L492E483-Q488 HydrophobicContact CG-CB 3.95Å; E483-Q488 HydrophobicContact CG-CG 4.46Å; E483-Q488 WeakPolarHBondContact OE1-CB 3.26Å; E483-Q488 WeakPolarHBondContact OE1-CG 3.48Å; E483-Q488 PolarHBondContact OE1-NE2 3.14Å; Q488-V490 PolarHBondContact O-N 3.45Å; Q488-L491 PolarHBondContact O-N 3.31Å; Q488-L492 HydrophobicContact CG-CD1 4Å; Q488-L492 HydrophobicContact CG-CG 4.28Å; Q488-L492 WeakPolarHBondContact O-CG 3.49Å; Q488-L492 PolarHBondContact O-N 2.87Å
489P96.9Very high96.4Very high88 Ų8837.1 Ų37.157%0.57119%0.189SC*.Hα-helixtrans-60.1-35.7-178.6-23.434.8000112.5Q493P489-Q493 VanDerWaalsContact O-CG 3.31Å; P489-Q493 WeakPolarHBondContact O-CG 3.47Å; P489-Q493 PolarHBondContact O-N 3.35Å; P489-Q493 VanDerWaalsContact O-N 3.08Å
490V96.9Very high96.3Very high43 Ų4339.7 Ų39.726%0.26120%0.204SC..Hα-helixtrans-72.1-44-179.7-179.80000110.7L486 G487 Q488 L492 Q493 V494 T575L486-V490 HydrophobicContact CB-CG1 4.43Å; G487-V490 PolarHBondContact O-N 2.87Å; Q488-V490 PolarHBondContact O-N 3.45Å; V490-L492 VanDerWaalsContact C-N 3.33Å; V490-L492 PolarHBondContact O-N 3.49Å; V490-Q493 WeakPolarHBondContact O-CB 3.26Å; V490-Q493 PolarHBondContact O-N 3.13Å; V490-V494 PolarHBondContact O-N 3.35Å; V490-T575 HydrophobicContact CG1-CG2 3.34Å
491L97Very high96.1Very high0 Ų040.6 Ų40.60%021%0.21CC..Hα-helixtrans-61.9-42.5175.7-17760.2000111Y405 I479 E483 G487 Q488 Q493 V494 L495Y405-L491 HydrophobicContact CE1-CD2 3.92Å; Y405-L491 HydrophobicContact CE2-CD2 4.38Å; I479-L491 HydrophobicContact CG2-CD2 4.4Å; E483-L491 HydrophobicContact CB-CD2 3.7Å; E483-L491 HydrophobicContact CG-CD2 4.32Å; G487-L491 PolarHBondContact O-N 2.89Å; G487-L491 VanDerWaalsContact O-N 3.07Å; Q488-L491 PolarHBondContact O-N 3.31Å; L491-Q493 VanDerWaalsContact C-N 3.31Å; L491-Q493 PolarHBondContact O-N 3.42Å; L491-V494 WeakPolarHBondContact O-CB 3.31Å; L491-V494 PolarHBondContact O-N 3.33Å; L491-V494 VanDerWaalsContact O-N 3.1Å; L491-L495 WeakPolarHBondContact O-CG 3.2Å; L491-L495 PolarHBondContact O-N 2.99Å
492L97.2Very high96Very high29 Ų2940.2 Ų40.215%0.15221%0.208CC..Hα-helixtrans-62.1-36.5175.9-67.6177.7000112.7I323 L409 Q488 V490 L495 N496I323-L492 HydrophobicContact CG2-CD1 3.81Å; I323-L492 HydrophobicContact CG2-CD2 3.45Å; I323-L492 VanDerWaalsContact CG2-CD2 3.45Å; I323-L492 HydrophobicContact CG2-CG 4.27Å; L409-L492 HydrophobicContact CD1-CD2 4.43Å; Q488-L492 HydrophobicContact CG-CD1 4Å; Q488-L492 HydrophobicContact CG-CG 4.28Å; Q488-L492 WeakPolarHBondContact O-CG 3.49Å; Q488-L492 PolarHBondContact O-N 2.87Å; V490-L492 VanDerWaalsContact C-N 3.33Å; V490-L492 PolarHBondContact O-N 3.49Å; L492-L495 HydrophobicContact CD2-CD1 4.42Å; L492-L495 PolarHBondContact O-N 3.26Å; L492-N496 WeakPolarHBondContact O-CB 3.33Å; L492-N496 PolarHBondContact O-N 3.07Å
493Q96.7Very high95.8Very high116 Ų11642.7 Ų42.754%0.54222%0.218SC..Hα-helixtrans-63.2-39.5172.2-74.1171.85.400112.4P489 V490 L491 N496 K497 V574P489-Q493 VanDerWaalsContact O-CG 3.31Å; P489-Q493 WeakPolarHBondContact O-CG 3.47Å; P489-Q493 PolarHBondContact O-N 3.35Å; P489-Q493 VanDerWaalsContact O-N 3.08Å; V490-Q493 WeakPolarHBondContact O-CB 3.26Å; V490-Q493 PolarHBondContact O-N 3.13Å; L491-Q493 VanDerWaalsContact C-N 3.31Å; L491-Q493 PolarHBondContact O-N 3.42Å; Q493-N496 PolarHBondContact O-N 3.25Å; Q493-K497 WeakPolarHBondContact O-CB 3.25Å; Q493-K497 PolarHBondContact O-N 3.44Å; Q493-V574 HydrophobicContact CB-CG1 4.28Å
494V97.2Very high95.6Very high0 Ų046.9 Ų46.90%024%0.24CC..Hα-helixtrans-60.4-47.8173168.30000110.5V490 L491 K497 L498 F567 I570 I571 V574V490-V494 PolarHBondContact O-N 3.35Å; L491-V494 WeakPolarHBondContact O-CB 3.31Å; L491-V494 PolarHBondContact O-N 3.33Å; L491-V494 VanDerWaalsContact O-N 3.1Å; V494-K497 WeakPolarHBondContact O-CB 3.28Å; V494-K497 PolarHBondContact O-N 3.19Å; V494-L498 HydrophobicContact CG1-CD1 4.43Å; V494-L498 WeakPolarHBondContact O-CG 3.38Å; V494-L498 PolarHBondContact O-N 3.46Å; V494-F567 HydrophobicContact CG1-CE2 4.28Å; V494-I570 HydrophobicContact CG1-CG2 4.13Å; V494-I571 HydrophobicContact CG1-CG1 3.69Å; V494-I571 HydrophobicContact CG2-CG1 4.09Å; V494-V574 HydrophobicContact CG2-CB 3.83Å; V494-V574 HydrophobicContact CG2-CG1 3.9Å; V494-V574 HydrophobicContact CG2-CG2 4.07Å
495L97.5Very high95.3Very high0 Ų043.4 Ų43.40%022%0.222CC..Hα-helixtrans-63.6-43.1179.5-58.4-171.7000112L324 F384 L402 Y405 L491 L492 K497 L498 L499L324-L495 HydrophobicContact CD2-CB 4.03Å; L324-L495 HydrophobicContact CD2-CD1 4.08Å; F384-L495 HydrophobicContact CE1-CD2 4.47Å; F384-L495 HydrophobicContact CZ-CB 4.28Å; F384-L495 HydrophobicContact CZ-CD1 4.08Å; F384-L495 HydrophobicContact CZ-CD2 4.27Å; F384-L495 HydrophobicContact CZ-CG 4.42Å; L402-L495 HydrophobicContact CD1-CD2 4.32Å; L402-L495 HydrophobicContact CD2-CD1 4.46Å; L402-L495 HydrophobicContact CD2-CD2 3.51Å; Y405-L495 HydrophobicContact CD1-CD1 4.45Å; Y405-L495 HydrophobicContact CE1-CD1 4.37Å; L491-L495 WeakPolarHBondContact O-CG 3.2Å; L491-L495 PolarHBondContact O-N 2.99Å; L492-L495 HydrophobicContact CD2-CD1 4.42Å; L492-L495 PolarHBondContact O-N 3.26Å; L495-K497 VanDerWaalsContact C-N 3.32Å; L495-K497 PolarHBondContact O-N 2.71Å; L495-L498 HydrophobicContact CD2-CD1 4.3Å; L495-L498 WeakPolarHBondContact O-CB 3.3Å; L495-L498 PolarHBondContact O-N 3.39Å; L495-L499 WeakPolarHBondContact O-CG 3.34Å; L495-L499 PolarHBondContact O-N 2.91Å; L495-L499 VanDerWaalsContact O-N 3.07Å
496N97Very high94.8Very high42 Ų4237.1 Ų37.123%0.22520%0.199CC..Hα-helixtrans-57.5-46.6173.9-179-78.5000111L324 A325 L492 Q493 L498 L499 V500L324-N496 WeakPolarHBondContact O-CB 3.1Å; L324-N496 PolarHBondContact O-ND2 2.91Å; A325-N496 WeakPolarHBondContact CB-ND2 3.36Å; A325-N496 PolarHBondContact O-ND2 2.84Å; L492-N496 WeakPolarHBondContact O-CB 3.33Å; L492-N496 PolarHBondContact O-N 3.07Å; Q493-N496 PolarHBondContact O-N 3.25Å; N496-L498 VanDerWaalsContact C-N 3.32Å; N496-L498 PolarHBondContact O-N 3.12Å; N496-L499 PolarHBondContact O-N 3.41Å; N496-V500 WeakPolarHBondContact O-CG2 3.39Å; N496-V500 PolarHBondContact O-N 3.18Å; N496-V500 WeakPolarHBondContact OD1-CG2 3.4Å
497K96.2Very high94Very high71 Ų7142.5 Ų42.531%0.30922%0.222SC..Hα-helixtrans-59.2-42.9179.2-176.462.5175.9-178.10112Q493 V494 L495 V500 L501 I570 V574Q493-K497 WeakPolarHBondContact O-CB 3.25Å; Q493-K497 PolarHBondContact O-N 3.44Å; V494-K497 WeakPolarHBondContact O-CB 3.28Å; V494-K497 PolarHBondContact O-N 3.19Å; L495-K497 VanDerWaalsContact C-N 3.32Å; L495-K497 PolarHBondContact O-N 2.71Å; K497-V500 PolarHBondContact O-N 2.98Å; K497-L501 HydrophobicContact CD-CD1 4.46Å; K497-L501 HydrophobicContact CD-CG 4.42Å; K497-L501 HydrophobicContact CG-CD1 4.27Å; K497-L501 VanDerWaalsContact O-CG 3.28Å; K497-L501 WeakPolarHBondContact O-CG 3.3Å; K497-L501 PolarHBondContact O-N 3.46Å; K497-I570 HydrophobicContact CB-CG2 4.43Å; K497-I570 HydrophobicContact CG-CG2 4.21Å; K497-V574 HydrophobicContact CB-CG2 4.49Å
498L96.5Very high92.8Very high10 Ų1043.5 Ų43.55%0.05222%0.224CC..Hα-helixtrans-58.6-50175.2-68.9169.1000111.2L388 V494 L495 N496 V500 L501 A502 L562 F567 I570L388-L498 HydrophobicContact CD1-CB 3.9Å; V494-L498 HydrophobicContact CG1-CD1 4.43Å; V494-L498 WeakPolarHBondContact O-CG 3.38Å; V494-L498 PolarHBondContact O-N 3.46Å; L495-L498 HydrophobicContact CD2-CD1 4.3Å; L495-L498 WeakPolarHBondContact O-CB 3.3Å; L495-L498 PolarHBondContact O-N 3.39Å; N496-L498 VanDerWaalsContact C-N 3.32Å; N496-L498 PolarHBondContact O-N 3.12Å; L498-V500 PolarHBondContact O-N 2.82Å; L498-L501 PolarHBondContact O-N 2.83Å; L498-A502 PolarHBondContact O-N 3.44Å; L498-L562 HydrophobicContact CD1-CD1 4.3Å; L498-L562 HydrophobicContact CD2-CD1 4.2Å; L498-F567 HydrophobicContact CD1-CD2 4.01Å; L498-F567 HydrophobicContact CD1-CE2 4.11Å; L498-I570 HydrophobicContact CD2-CB 4.15Å; L498-I570 HydrophobicContact CD2-CG1 3.81Å; L498-I570 HydrophobicContact CD2-CG2 4.07Å; L498-I570 HydrophobicContact CG-CG2 4.22Å
499L96.3Very high91.4Very high0 Ų040.9 Ų40.90%021%0.212CC..Hα-helixtrans-64.6-39.4-178.8-67168.1000112.6L324 F383 F387 L388 L495 N496 A502 R503L324-L499 HydrophobicContact CB-CD1 3.99Å; L324-L499 HydrophobicContact CD1-CD1 3.95Å; L324-L499 HydrophobicContact CD2-CD1 4.23Å; L324-L499 HydrophobicContact CG-CD1 4.29Å; F383-L499 HydrophobicContact CD1-CD2 4.47Å; F387-L499 HydrophobicContact CD1-CD2 3.64Å; F387-L499 HydrophobicContact CE1-CD2 3.73Å; L388-L499 HydrophobicContact CD1-CD2 3.63Å; L388-L499 HydrophobicContact CD1-CG 4.14Å; L388-L499 HydrophobicContact CG-CD2 4.18Å; L495-L499 WeakPolarHBondContact O-CG 3.34Å; L495-L499 PolarHBondContact O-N 2.91Å; L495-L499 VanDerWaalsContact O-N 3.07Å; N496-L499 PolarHBondContact O-N 3.41Å; L499-A502 PolarHBondContact O-N 3.4Å; L499-R503 WeakPolarHBondContact O-CB 3.41Å; L499-R503 PolarHBondContact O-N 3.04Å
500V95.6Very high89.6Confident54 Ų5439.7 Ų39.733%0.32720%0.201SC..Hα-helixtrans-63.8-45176.71690000110.8N496 K497 L498 R503 L504N496-V500 WeakPolarHBondContact O-CG2 3.39Å; N496-V500 PolarHBondContact O-N 3.18Å; N496-V500 WeakPolarHBondContact OD1-CG2 3.4Å; K497-V500 PolarHBondContact O-N 2.98Å; L498-V500 PolarHBondContact O-N 2.82Å; V500-R503 PolarHBondContact O-N 2.91Å; V500-L504 HydrophobicContact CG1-CD1 3.96Å; V500-L504 HydrophobicContact CG1-CG 4.43Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.48Å; V500-L504 PolarHBondContact O-N 3.35Å
501L94.1Very high87.4Confident36 Ų3640.4 Ų40.419%0.18821%0.208CC..Hα-helixtrans-61.4-48.3177.6-70.9173.5000111.3K497 L498 R503 L504 S505 N559 I570K497-L501 HydrophobicContact CD-CD1 4.46Å; K497-L501 HydrophobicContact CD-CG 4.42Å; K497-L501 HydrophobicContact CG-CD1 4.27Å; K497-L501 VanDerWaalsContact O-CG 3.28Å; K497-L501 WeakPolarHBondContact O-CG 3.3Å; K497-L501 PolarHBondContact O-N 3.46Å; L498-L501 PolarHBondContact O-N 2.83Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 2.57Å; L501-L504 PolarHBondContact O-N 3.18Å; L501-S505 PolarHBondContact O-N 2.83Å; L501-S505 PolarHBondContact O-OG 3.16Å; L501-N559 HydrophobicContact CB-CB 4.2Å; L501-I570 HydrophobicContact CD1-CD1 3.84Å
502A93.9Very high84.7Confident0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-59-42.4177.300000112.6F387 L388 L498 L499 S505 T506 I560F387-A502 HydrophobicContact CE1-CB 3.9Å; F387-A502 HydrophobicContact CE2-CB 4.31Å; F387-A502 HydrophobicContact CZ-CB 3.68Å; L388-A502 HydrophobicContact CD2-CB 3.7Å; L498-A502 PolarHBondContact O-N 3.44Å; L499-A502 PolarHBondContact O-N 3.4Å; A502-S505 PolarHBondContact O-N 2.76Å; A502-T506 PolarHBondContact O-N 3.28Å; A502-T506 PolarHBondContact O-OG1 3.21Å; A502-I560 HydrophobicContact CB-CG1 4.31Å
503R92.6Very high81.8Confident52 Ų5242.9 Ų42.920%0.19623%0.227CC..Hα-helixtrans-67.5-41.2179.9-175.7172-83.7146.1-3.1112.3S326 Q327 Y328 F387 L499 V500 L501 S505 T506 K507S326-R503 PolarHBondContact OG-NH1 3.1Å; Q327-R503 PolarHBondContact O-NH2 2.7Å; Y328-R503 PolarHBondContact O-NH2 3.44Å; F387-R503 HydrophobicContact CZ-CB 4.12Å; L499-R503 WeakPolarHBondContact O-CB 3.41Å; L499-R503 PolarHBondContact O-N 3.04Å; V500-R503 PolarHBondContact O-N 2.91Å; L501-R503 VanDerWaalsContact C-N 3.33Å; L501-R503 PolarHBondContact O-N 2.57Å; R503-S505 VanDerWaalsContact C-N 3.33Å; R503-T506 PolarHBondContact O-N 3.4Å; R503-K507 PolarHBondContact O-N 3.33Å; R503-K507 VanDerWaalsContact O-N 3.08Å
504L91.3Very high78.7Confident108 Ų10843 Ų4357%0.56523%0.231SC*.Hα-helixtrans-62.4-43175.7-71.6171.8000111.3V500 L501 T506 K507 S508V500-L504 HydrophobicContact CG1-CD1 3.96Å; V500-L504 HydrophobicContact CG1-CG 4.43Å; V500-L504 VanDerWaalsContact O-CG 3.29Å; V500-L504 WeakPolarHBondContact O-CG 3.48Å; V500-L504 PolarHBondContact O-N 3.35Å; L501-L504 PolarHBondContact O-N 3.18Å; L504-T506 VanDerWaalsContact C-N 3.28Å; L504-T506 PolarHBondContact O-N 3.13Å; L504-K507 PolarHBondContact O-N 3.21Å; L504-S508 PolarHBondContact O-N 3.4Å
505S89.1Confident75.4Confident3 Ų348.9 Ų48.92%0.02126%0.258CS..Hα-helixtrans-62.6-34.3176.3-67.60000112.9L501 A502 R503 H556 N559L501-S505 PolarHBondContact O-N 2.83Å; L501-S505 PolarHBondContact O-OG 3.16Å; A502-S505 PolarHBondContact O-N 2.76Å; R503-S505 VanDerWaalsContact C-N 3.33Å; S505-H556 WeakPolarHBondContact OG-CA 3.4Å; S505-H556 PolarHBondContact OG-CD2 3.4Å; S505-N559 WeakPolarHBondContact OG-CB 3.16Å; S505-N559 PolarHBondContact OG-ND2 3.12Å
506T83.9Confident72.2Confident5 Ų555.3 Ų55.33%0.03129%0.293CS..Hα-helixtrans-72.2-46.6177.2-54.30000112.9Q268 P269 A502 R503 L504 S508 I509Q268-T506 PolarHBondContact NE2-OG1 3.39Å; Q268-T506 VanDerWaalsContact OE1-CG2 3.29Å; Q268-T506 PolarHBondContact OE1-OG1 2.84Å; P269-T506 VanDerWaalsContact CD-CG2 3.46Å; P269-T506 HydrophobicContact CG-CG2 4.45Å; A502-T506 PolarHBondContact O-N 3.28Å; A502-T506 PolarHBondContact O-OG1 3.21Å; R503-T506 PolarHBondContact O-N 3.4Å; L504-T506 VanDerWaalsContact C-N 3.28Å; L504-T506 PolarHBondContact O-N 3.13Å; T506-S508 PolarHBondContact O-N 3.11Å; T506-I509 WeakPolarHBondContact O-CB 3.47Å; T506-I509 PolarHBondContact O-N 3.45Å; T506-I509 VanDerWaalsContact O-N 3.09Å
507K78Confident69Low134 Ų13460.5 Ų60.558%0.58332%0.315SS*.Hα-helixtrans-60.4-31.9-178.5-74-175.4177-172.20113.1R503 L504 I509 L510 S511R503-K507 PolarHBondContact O-N 3.33Å; R503-K507 VanDerWaalsContact O-N 3.08Å; L504-K507 PolarHBondContact O-N 3.21Å; K507-I509 PolarHBondContact O-N 3.22Å; K507-L510 PolarHBondContact O-N 2.94Å; K507-S511 PolarHBondContact O-N 3.31Å
508S69.4Low65.5Low50 Ų5061.5 Ų61.535%0.3533%0.331SS..Hα-helixtrans-60-33.1177.7-175.30000112.7L504 T506 S511 S512 H556L504-S508 PolarHBondContact O-N 3.4Å; T506-S508 PolarHBondContact O-N 3.11Å; S508-S511 PolarHBondContact O-OG 2.9Å; S508-S512 PolarHBondContact O-N 3.18Å; S508-H556 VanDerWaalsContact CB-CE1 3.46Å; S508-H556 WeakPolarHBondContact CB-CE1 3.36Å; S508-H556 PolarHBondContact OG-CE1 3.48Å; S508-H556 VanDerWaalsContact OG-CE1 3.3Å
509I65.3Low62.1Low17 Ų1771.9 Ų71.99%0.08737%0.369CS..Hα-helixtrans-71.7-44.5-178.4-58.1158.5000109.9P269 T506 K507 S511 S512 T513 M552P269-I509 HydrophobicContact CG-CD1 3.46Å; P269-I509 VanDerWaalsContact CG-CD1 3.46Å; T506-I509 WeakPolarHBondContact O-CB 3.47Å; T506-I509 PolarHBondContact O-N 3.45Å; T506-I509 VanDerWaalsContact O-N 3.09Å; K507-I509 PolarHBondContact O-N 3.22Å; I509-S511 PolarHBondContact O-N 3.28Å; I509-S512 PolarHBondContact O-N 3.1Å; I509-S512 PolarHBondContact O-OG 3.35Å; I509-T513 PolarHBondContact O-OG1 3.09Å; I509-T513 VanDerWaalsContact O-OG1 3.12Å; I509-M552 HydrophobicContact CD1-CE 3.64Å; I509-M552 HydrophobicContact CD1-CG 3.44Å; I509-M552 VanDerWaalsContact CD1-CG 3.44Å; I509-M552 HydrophobicContact CD1-SD 3.57Å; I509-M552 VanDerWaalsContact CD1-SD 3.57Å; I509-M552 HydrophobicContact CG1-CG 4.06Å
510L59.3Low58.7Low64 Ų6477.3 Ų77.334%0.33541%0.407SS..Hα-helixtrans-63.9-41177.8-69.5159000111.9K507 S512 T513 D514K507-L510 PolarHBondContact O-N 2.94Å; L510-S512 PolarHBondContact O-N 2.87Å; L510-T513 WeakPolarHBondContact CA-OG1 3.48Å; L510-T513 PolarHBondContact O-N 2.62Å; L510-T513 VanDerWaalsContact O-N 3.09Å; L510-T513 PolarHBondContact O-OG1 2.9Å; L510-D514 PolarHBondContact O-N 3.14Å
511S50.6Low55.4Low58 Ų5881.6 Ų81.641%0.40643%0.433SS..Hα-helixtrans-65.6-24.1178.968.90000114K507 S508 I509 Q515K507-S511 PolarHBondContact O-N 3.31Å; S508-S511 PolarHBondContact O-OG 2.9Å; I509-S511 PolarHBondContact O-N 3.28Å; S511-Q515 WeakPolarHBondContact O-CG 3.48Å
512S41.8Very low52.3Low51 Ų5183.1 Ų83.136%0.35746%0.458SS..Hα-helixtrans-79.7-18.9175.960.20000113.4S508 I509 L510 P550S508-S512 PolarHBondContact O-N 3.18Å; I509-S512 PolarHBondContact O-N 3.1Å; I509-S512 PolarHBondContact O-OG 3.35Å; L510-S512 PolarHBondContact O-N 2.87Å; S512-P550 WeakPolarHBondContact OG-CG 3.4Å
513T35.9Very low49Very low30 Ų3091.4 Ų91.418%0.18450%0.501CS..Hα-helixtrans-82.7-34.7175.75.30000111.8I509 L510 P546I509-T513 PolarHBondContact O-OG1 3.09Å; I509-T513 VanDerWaalsContact O-OG1 3.12Å; L510-T513 WeakPolarHBondContact CA-OG1 3.48Å; L510-T513 PolarHBondContact O-N 2.62Å; L510-T513 VanDerWaalsContact O-N 3.09Å; L510-T513 PolarHBondContact O-OG1 2.9Å; T513-P546 HydrophobicContact CG2-CB 4.28Å; T513-P546 HydrophobicContact CG2-CG 3.69Å
514D30.9Very low46Very low119 Ų11996.9 Ų96.964%0.63653%0.534SS*.Hα-helixtrans-80.5-24.5-179.3-75.6-26.3000115L510 N516 H517L510-D514 PolarHBondContact O-N 3.14Å; D514-N516 PolarHBondContact O-N 3.21Å; D514-N516 VanDerWaalsContact O-N 3.1Å; D514-H517 PolarHBondContact O-N 2.93Å; D514-H517 VanDerWaalsContact O-N 3.11Å
515Q28.4Very low43.1Very low123 Ų12395.6 Ų95.658%0.57555%0.547SS*.G310 helixtrans-67.3-12.1-176-82.2-16934.200114.8S511 H517S511-Q515 WeakPolarHBondContact O-CG 3.48Å; Q515-H517 VanDerWaalsContact C-N 3.33Å
516N29.6Very low40Very low134 Ų134102.3 Ų102.372%0.71759%0.593SS**G310 helixtrans-82.6-5.4174.6-78.4-13.1000114D514D514-N516 PolarHBondContact O-N 3.21Å; D514-N516 VanDerWaalsContact O-N 3.1Å
517H29.6Very low37.5Very low152 Ų152105.9 Ų105.970%0.70463%0.63SS**G310 helixtrans-108.16.3179.3-76-59000115.5D514 Q515D514-H517 PolarHBondContact O-N 2.93Å; D514-H517 VanDerWaalsContact O-N 3.11Å; Q515-H517 VanDerWaalsContact C-N 3.33Å
518S23.9Very low34.9Very low91 Ų91110.8 Ų110.864%0.63665%0.645SS**SBendtrans-139.858.2-179.673.40000114.5
519R23.8Very low33Very low228 Ų228115.9 Ų115.986%0.8667%0.669SS**  trans-142.458.2164.8-76.5-166.7175.71752113.1
520S24.9Very low31.1Very low114 Ų114124.7 Ų124.780%0.79771%0.709SS**  trans-162.864.1161.267.10000114
521V26.4Very low29.5Very low144 Ų144124.9 Ų124.987%0.87373%0.727SS**  trans-141.2117.3152.4-1740000108.7
522G29Very low28.3Very low68 Ų68129.7 Ų129.770%0.70175%0.748SS**  trans-65.1140.8178.300000112N524G522-N524 PolarHBondContact O-N 3.26Å; G522-N524 VanDerWaalsContact O-N 3.14Å
523L25.9Very low27.6Very low174 Ų174132.8 Ų132.891%0.91177%0.769SS**  trans-59.4108.4160.5-77.3152.9000108.8
524N29.4Very low27Very low167 Ų167138.1 Ų138.189%0.89380%0.802SS**  trans-158.6122.4153.1-97.5-18.7000110.3G522G522-N524 PolarHBondContact O-N 3.26Å; G522-N524 VanDerWaalsContact O-N 3.14Å
525G30.5Very low26.7Very low81 Ų81137.2 Ų137.284%0.83581%0.805SS**  trans99.6109.8145.600000118.1
526C24.5Very low26.4Very low145 Ų145137.7 Ų137.798%0.9882%0.816SS**  trans-49.1153.5165-66.50000115.6
527G29.7Very low26.1Very low79 Ų79137.5 Ų137.581%0.81482%0.819SS**  trans161.8111152.200000115.1
528R25Very low25.9Very low237 Ų237135.2 Ų135.289%0.89482%0.82SS**  trans-65.5144.2172-67.8168.2162.4169.2-7.6112
529N29.4Very low25.8Very low158 Ų158138.8 Ų138.885%0.84583%0.832SS**  176.8148.2114-89.7-7.3000113.7
530E24.7Very low25.7Very low202 Ų202133.9 Ų133.994%0.94483%0.828SS**  trans-70.9157176.8-59.3170.9145.400113.2
531G26.2Very low25.6Very low68 Ų68135.6 Ų135.670%0.70183%0.827SS**  trans143.499.1156.200000116.6
532D25.4Very low25.6Very low159 Ų159134.2 Ų134.285%0.8582%0.821SS**  trans50.2116.3144.1-58.7-23.6000121.8
533S27.1Very low25.4Very low115 Ų115139.4 Ų139.480%0.80483%0.827SS**  168.4131.3103.7460000111.7S535S533-S535 PolarHBondContact O-N 3.39Å
534V23.5Very low25.4Very low143 Ų143139.7 Ų139.787%0.86782%0.824SS**  trans-75.3110.5174173.40000108.2
535S24Very low25.5Very low100 Ų100136.6 Ų136.670%0.69981%0.808SS**  trans-129.9107.9163.9620000109.8S533 T537S533-S535 PolarHBondContact O-N 3.39Å; S535-T537 PolarHBondContact O-N 2.71Å
536V22.5Very low25.7Very low133 Ų133135.6 Ų135.681%0.80679%0.787SS**  trans-68.9100168.51750000107.7
537T22.9Very low27.2Very low129 Ų129131.7 Ų131.779%0.79176%0.758SS**  trans-179.1101.9153.2420000108.8S535S535-T537 PolarHBondContact O-N 2.71Å
538S24.6Very low28.8Very low104 Ų104129 Ų12973%0.72773%0.726SS**  trans-150.9105.1152.458.60000109.1T540S538-T540 VanDerWaalsContact C-N 3.33Å; S538-T540 PolarHBondContact O-N 3.07Å
539N21.9Very low31Very low166 Ų166118.6 Ų118.689%0.88869%0.689SS**  trans-5298.7155.7-73.1-17.4000108.5L541N539-L541 PolarHBondContact O-N 3.33Å
540T22.9Very low33Very low126 Ų126113.5 Ų113.577%0.77366%0.664SS**  trans-77104.2157.725.80000107S538S538-T540 VanDerWaalsContact C-N 3.33Å; S538-T540 PolarHBondContact O-N 3.07Å
541L22.4Very low35.4Very low149 Ų149105.8 Ų105.878%0.7863%0.633SS**PPolyproline II helixtrans-48.6144.8158.2-80.6109.7000109.2N539 Q543N539-L541 PolarHBondContact O-N 3.33Å; L541-Q543 PolarHBondContact O-N 3.06Å
542P25.9Very low38.1Very low115 Ų115103.4 Ų103.475%0.74760%0.604SS**PPolyproline II helixtrans-59.6127.3-172.724.1-31.4000109.3Q544P542-Q544 PolarHBondContact O-N 2.9Å; P542-Q544 VanDerWaalsContact O-N 3.13Å
543Q25.3Very low41Very low177 Ų17798.2 Ų98.283%0.82758%0.579SS**PPolyproline II helixtrans-49.1120.7168.2-75.2176-17.600107.9L541 N545L541-Q543 PolarHBondContact O-N 3.06Å; Q543-N545 PolarHBondContact O-N 2.98Å
544Q25.1Very low43.8Very low180 Ų18096 Ų9684%0.84156%0.559SS**  trans-57.2106.2166.9-74.9175.9-2400107.1P542P542-Q544 PolarHBondContact O-N 2.9Å; P542-Q544 VanDerWaalsContact O-N 3.13Å
545N31.2Very low46.8Very low103 Ų10395.9 Ų95.955%0.55155%0.549SS*.  trans-57.4142.9172.2-84.1-26.1000109.2Q543Q543-N545 PolarHBondContact O-N 2.98Å
546P36.6Very low49.9Very low60 Ų6093 Ų9339%0.3952%0.524SS..  trans-61.9141.7-168.123.8-32.4000112.3T513 V548T513-P546 HydrophobicContact CG2-CB 4.28Å; T513-P546 HydrophobicContact CG2-CG 3.69Å; P546-V548 PolarHBondContact O-N 3.19Å; P546-V548 VanDerWaalsContact O-N 3.13Å
547T54.3Low53Low63 Ų6388.3 Ų88.339%0.38749%0.492SS..SBendtrans-49.7107.5165.926.40000110.4D79 E81D79-T547 WeakPolarHBondContact O-CG2 3.29Å; E81-T547 HydrophobicContact CG-CG2 4.31Å
548V64.8Low56.2Low22 Ų2283.9 Ų83.913%0.13347%0.468CS..SBendtrans48.5104.5169.7-175.20000116.2V50 W52 A78 P171 P546V50-V548 HydrophobicContact CG1-CG1 3.69Å; W52-V548 HydrophobicContact CZ2-CG1 3.98Å; A78-V548 HydrophobicContact CB-CG2 3.47Å; A78-V548 VanDerWaalsContact CB-CG2 3.47Å; P171-V548 HydrophobicContact CB-CG1 4.05Å; P171-V548 HydrophobicContact CG-CG1 3.81Å; P546-V548 PolarHBondContact O-N 3.19Å; P546-V548 VanDerWaalsContact O-N 3.13Å
549P69.6Low59.4Low19 Ų1980.8 Ų80.812%0.12344%0.444CS..PPolyproline II helixtrans-56.1134.6175-25.935.7000112H28H28-P549 HydrophobicContact CB-CB 4.4Å; H28-P549 HydrophobicContact CB-CG 3.86Å
550P72.5Confident62.8Low50 Ų5072.9 Ų72.933%0.32540%0.401SS..PPolyproline II helixtrans-64.3141.8-179.623-29.5000110.9S512S512-P550 WeakPolarHBondContact OG-CG 3.4Å
551C75.6Confident66.2Low41 Ų4167.6 Ų67.628%0.27737%0.368SS..PPolyproline II helixtrans-67.2137.2179-173.20000111.5R25 W52R25-C551 VanDerWaalsContact CB-SG 3.59Å; R25-C551 WeakPolarHBondContact CD-SG 3.42Å; W52-C551 HydrophobicContact CB-CB 4.22Å; W52-C551 HydrophobicContact CD2-CB 3.88Å; W52-C551 HydrophobicContact CG-CB 3.7Å
552M83Confident69.7Low18 Ų1860.6 Ų60.69%0.08933%0.331CS..PPolyproline II helixtrans-60.8137173.6-69-174.164.900111.8R25 P226 P269 I509 H556 I560R25-M552 PolarHBondContact NH1-O 2.7Å; P226-M552 HydrophobicContact CG-SD 4.39Å; P269-M552 HydrophobicContact CB-CE 4.32Å; P269-M552 HydrophobicContact CB-SD 3.54Å; P269-M552 VanDerWaalsContact CB-SD 3.54Å; P269-M552 HydrophobicContact CG-CE 4.25Å; P269-M552 HydrophobicContact CG-SD 3.65Å; I509-M552 HydrophobicContact CD1-CE 3.64Å; I509-M552 HydrophobicContact CD1-CG 3.44Å; I509-M552 VanDerWaalsContact CD1-CG 3.44Å; I509-M552 HydrophobicContact CD1-SD 3.57Å; I509-M552 VanDerWaalsContact CD1-SD 3.57Å; I509-M552 HydrophobicContact CG1-CG 4.06Å; M552-H556 HydrophobicContact CE-CB 4.17Å; M552-I560 HydrophobicContact CE-CD1 3.5Å
553S85.5Confident72.9Confident49 Ų4955.6 Ų55.634%0.34330%0.3SS..PPolyproline II helixtrans-69156.7171.271.40000111.1E555 H556 R557S553-E555 VanDerWaalsContact C-N 3.27Å; S553-E555 PolarHBondContact O-N 3.42Å; S553-H556 PolarHBondContact O-N 3Å; S553-H556 WeakPolarHBondContact OG-CB 3.21Å; S553-H556 PolarHBondContact OG-N 2.79Å; S553-H556 PolarHBondContact OG-ND1 3.28Å; S553-R557 WeakPolarHBondContact O-CB 3.35Å; S553-R557 PolarHBondContact O-N 3.27Å
554D85.4Confident76.2Confident70 Ų7047.9 Ų47.937%0.37426%0.264SS..Hα-helixtrans-60.7-37.6177.9-74.4-54000112.9R25 R557 A558R25-D554 IonicContact CZ-OD1 3.68Å; R25-D554 IonicContact CZ-OD2 2.69Å; R25-D554 IonicContact NE-OD1 2.68Å; R25-D554 IonicContact NH1-OD1 3.1Å; R25-D554 PolarHBondContact NH1-OD1 3.35Å; R25-D554 IonicContact NH1-OD2 2.67Å; R25-D554 IonicContact NH2-OD1 3.73Å; R25-D554 PolarHBondContact NH2-OD1 3.06Å; R25-D554 IonicContact NH2-OD2 3.58Å; R25-D554 PolarHBondContact NH2-OD2 2.94Å; D554-R557 PolarHBondContact O-N 2.98Å; D554-A558 VanDerWaalsContact O-CB 3.26Å; D554-A558 WeakPolarHBondContact O-CB 3.12Å; D554-A558 PolarHBondContact O-N 2.73Å
555E86.9Confident79.4Confident139 Ų13941.8 Ų41.865%0.6525%0.245SC*.Hα-helixtrans-63.6-47.1177.7-175.5179.2178.900111.2S553 R557 A558 N559S553-E555 VanDerWaalsContact C-N 3.27Å; S553-E555 PolarHBondContact O-N 3.42Å; E555-R557 VanDerWaalsContact C-N 3.31Å; E555-R557 PolarHBondContact O-N 2.74Å; E555-A558 PolarHBondContact O-N 3.47Å; E555-N559 PolarHBondContact O-N 2.87Å; E555-N559 VanDerWaalsContact O-N 3.13Å; E555-N559 PolarHBondContact O-ND2 3.11Å
556H88.6Confident82.4Confident41 Ų4137.5 Ų37.519%0.1922%0.223CC..Hα-helixtrans-65.1-38.5178.9-69170.8000111.9S505 S508 M552 S553 N559S505-H556 WeakPolarHBondContact OG-CA 3.4Å; S505-H556 PolarHBondContact OG-CD2 3.4Å; S508-H556 VanDerWaalsContact CB-CE1 3.46Å; S508-H556 WeakPolarHBondContact CB-CE1 3.36Å; S508-H556 PolarHBondContact OG-CE1 3.48Å; S508-H556 VanDerWaalsContact OG-CE1 3.3Å; M552-H556 HydrophobicContact CE-CB 4.17Å; S553-H556 PolarHBondContact O-N 3Å; S553-H556 WeakPolarHBondContact OG-CB 3.21Å; S553-H556 PolarHBondContact OG-N 2.79Å; S553-H556 PolarHBondContact OG-ND1 3.28Å; H556-N559 PolarHBondContact O-N 2.92Å
557R89Confident85.2Confident34 Ų3434.7 Ų34.713%0.12821%0.205CC..Hα-helixtrans-63.2-46.5174.6-165.6171.475.7149.910.3111.4E225 P226 S553 D554 E555 N559 I560 L561E225-R557 VanDerWaalsContact CD-NH1 3.26Å; E225-R557 IonicContact OE1-CZ 3.92Å; E225-R557 IonicContact OE1-NH1 2.88Å; E225-R557 PolarHBondContact OE1-NH1 3.41Å; E225-R557 IonicContact OE2-NH1 2.69Å; E225-R557 PolarHBondContact OE2-NH1 3Å; P226-R557 HydrophobicContact CG-CG 3.81Å; S553-R557 WeakPolarHBondContact O-CB 3.35Å; S553-R557 PolarHBondContact O-N 3.27Å; D554-R557 PolarHBondContact O-N 2.98Å; E555-R557 VanDerWaalsContact C-N 3.31Å; E555-R557 PolarHBondContact O-N 2.74Å; R557-N559 PolarHBondContact O-N 2.88Å; R557-I560 PolarHBondContact O-N 2.88Å; R557-L561 HydrophobicContact CG-CD1 3.81Å; R557-L561 HydrophobicContact CG-CG 4.28Å; R557-L561 WeakPolarHBondContact O-CG 3.44Å; R557-L561 PolarHBondContact O-N 3.16Å
558A88.4Confident87.2Confident35 Ų3535.3 Ų35.329%0.28920%0.2SC..Hα-helixtrans-65.5-19.6179.400000114.2D554 E555D554-A558 VanDerWaalsContact O-CB 3.26Å; D554-A558 WeakPolarHBondContact O-CB 3.12Å; D554-A558 PolarHBondContact O-N 2.73Å; E555-A558 PolarHBondContact O-N 3.47Å
559N92.6Very high88.6Confident40 Ų4040.4 Ų40.421%0.21422%0.217CC..Hα-helixtrans-82.3-19.2173.9-70.8-29.6000113.3L501 S505 E555 H556 R557L501-N559 HydrophobicContact CB-CB 4.2Å; S505-N559 WeakPolarHBondContact OG-CB 3.16Å; S505-N559 PolarHBondContact OG-ND2 3.12Å; E555-N559 PolarHBondContact O-N 2.87Å; E555-N559 VanDerWaalsContact O-N 3.13Å; E555-N559 PolarHBondContact O-ND2 3.11Å; H556-N559 PolarHBondContact O-N 2.92Å; R557-N559 PolarHBondContact O-N 2.88Å
560I93.3Very high89.9Confident0 Ų040.5 Ų40.50%022%0.216CC..Hα-helixtrans-93.6-37.1176.9-64.3178.1000110.5P269 I389 A502 M552 R557P269-I560 HydrophobicContact CB-CD1 4.48Å; I389-I560 HydrophobicContact CD1-CG2 3.75Å; I389-I560 PolarHBondContact N-O 3.21Å; I389-I560 VanDerWaalsContact N-O 3.14Å; A502-I560 HydrophobicContact CB-CG1 4.31Å; M552-I560 HydrophobicContact CE-CD1 3.5Å; R557-I560 PolarHBondContact O-N 2.88Å
561L94.7Very high91Very high14 Ų1438.1 Ų38.17%0.07320%0.201CC..EExtended strand (participates in β ladder)trans-80.2128.8177.9-61.3-179.6000111.6S224 I389 E391 R557S224-L561 WeakPolarHBondContact O-CD2 3.38Å; I389-L561 HydrophobicContact CB-CD2 4.33Å; I389-L561 HydrophobicContact CG2-CD2 4.41Å; I389-L561 CarbonylContact O-C 3.55Å; I389-L561 WeakPolarHBondContact O-CA 3.4Å; E391-L561 HydrophobicContact CB-CB 4.18Å; E391-L561 HydrophobicContact CG-CB 4.36Å; E391-L561 HydrophobicContact CG-CD1 4.34Å; R557-L561 HydrophobicContact CG-CD1 3.81Å; R557-L561 HydrophobicContact CG-CG 4.28Å; R557-L561 WeakPolarHBondContact O-CG 3.44Å; R557-L561 PolarHBondContact O-N 3.16Å
562L94.7Very high92Very high2 Ų238.4 Ų38.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-108.4106.6-177.4-172.666.2000109.4I389 E391 D395 L398 L402 L498 F567I389-L562 WeakPolarHBondContact O-CB 3.14Å; I389-L562 PolarHBondContact O-N 2.99Å; E391-L562 PolarHBondContact N-O 3.41Å; D395-L562 WeakPolarHBondContact CB-O 3.41Å; L398-L562 HydrophobicContact CB-CD2 3.63Å; L398-L562 HydrophobicContact CB-CG 4.13Å; L398-L562 HydrophobicContact CD1-CD2 4.28Å; L398-L562 HydrophobicContact CD1-CG 3.86Å; L398-L562 HydrophobicContact CG-CD2 4.48Å; L402-L562 HydrophobicContact CD1-CD2 3.73Å; L498-L562 HydrophobicContact CD1-CD1 4.3Å; L498-L562 HydrophobicContact CD2-CD1 4.2Å; L562-F567 HydrophobicContact CD1-CB 4.11Å; L562-F567 HydrophobicContact CD1-CD2 4.19Å
563S94Very high92.6Very high11 Ų1143.9 Ų43.98%0.07723%0.23CC..  trans-108.3160.9165.752.40000113.7E391 D395 L398 A565 S566 F567E391-S563 WeakPolarHBondContact OE2-CB 3.38Å; E391-S563 PolarHBondContact OE2-OG 2.7Å; D395-S563 VanDerWaalsContact CG-CA 3.5Å; D395-S563 WeakPolarHBondContact OD1-CA 3.42Å; L398-S563 VanDerWaalsContact CD1-C 3.46Å; S563-A565 PolarHBondContact O-N 3.35Å; S563-S566 PolarHBondContact N-OG 3.4Å; S563-S566 PolarHBondContact O-N 3.1Å; S563-S566 PolarHBondContact O-OG 3.45Å; S563-S566 PolarHBondContact OG-N 2.76Å; S563-S566 PolarHBondContact OG-OG 3.41Å; S563-F567 WeakPolarHBondContact O-CB 3.44Å; S563-F567 PolarHBondContact O-N 2.81Å
564T94.4Very high93Very high14 Ų1444 Ų449%0.08623%0.229CC..Hα-helixtrans-54.1-37.3174.1-56.70000111.4D395 W397 R568 L583D395-T564 WeakPolarHBondContact OD1-CB 3.24Å; D395-T564 PolarHBondContact OD1-N 2.86Å; D395-T564 PolarHBondContact OD1-OG1 3.11Å; W397-T564 HydrophobicContact CZ2-CG2 4.15Å; W397-T564 PolarHBondContact NE1-OG1 3.36Å; W397-T564 VanDerWaalsContact NE1-OG1 3.15Å; T564-R568 WeakPolarHBondContact O-CB 3.47Å; T564-R568 PolarHBondContact O-N 3.13Å; T564-R568 VanDerWaalsContact O-N 3.12Å; T564-L583 HydrophobicContact CG2-CD1 4.05Å
565A92.8Very high93.4Very high53 Ų5342.3 Ų42.344%0.43822%0.221SC..Hα-helixtrans-69.8-45.8175.500000112.8S563 R569S563-A565 PolarHBondContact O-N 3.35Å; A565-R569 PolarHBondContact O-N 2.98Å; A565-R569 VanDerWaalsContact O-N 3.11Å
566S93.4Very high93.7Very high13 Ų1338.8 Ų38.89%0.09122%0.222CC..Hα-helixtrans-63.2-43.8177.573.70000111.7S563 R568 R569 I570S563-S566 PolarHBondContact N-OG 3.4Å; S563-S566 PolarHBondContact O-N 3.1Å; S563-S566 PolarHBondContact O-OG 3.45Å; S563-S566 PolarHBondContact OG-N 2.76Å; S563-S566 PolarHBondContact OG-OG 3.41Å; S566-R568 PolarHBondContact O-N 3.32Å; S566-R569 WeakPolarHBondContact O-CB 3.45Å; S566-R569 PolarHBondContact O-N 3.05Å; S566-R569 VanDerWaalsContact O-N 3.11Å; S566-I570 WeakPolarHBondContact O-CG1 3.48Å; S566-I570 PolarHBondContact O-N 2.81Å
567F95.7Very high93.9Very high0 Ų041.4 Ų41.40%023%0.234CC..Hα-helixtrans-62.6-46.4179.7-174.5-117.2000111.7L398 L402 I479 L482 V494 L498 L562 S563 R569 I570 I571L398-F567 HydrophobicContact CD1-CB 4.1Å; L398-F567 HydrophobicContact CD2-CB 4.22Å; L398-F567 HydrophobicContact CD2-CD1 3.48Å; L398-F567 VanDerWaalsContact CD2-CD1 3.48Å; L398-F567 HydrophobicContact CD2-CD2 4.43Å; L398-F567 HydrophobicContact CD2-CE1 3.83Å; L398-F567 HydrophobicContact CD2-CG 3.8Å; L398-F567 HydrophobicContact CD2-CZ 4.44Å; L402-F567 HydrophobicContact CD2-CE2 4.49Å; L402-F567 HydrophobicContact CD2-CZ 4.43Å; I479-F567 HydrophobicContact CD1-CE1 4.29Å; I479-F567 HydrophobicContact CD1-CZ 4.29Å; L482-F567 HydrophobicContact CD1-CE1 3.93Å; V494-F567 HydrophobicContact CG1-CE2 4.28Å; L498-F567 HydrophobicContact CD1-CD2 4.01Å; L498-F567 HydrophobicContact CD1-CE2 4.11Å; L562-F567 HydrophobicContact CD1-CB 4.11Å; L562-F567 HydrophobicContact CD1-CD2 4.19Å; S563-F567 WeakPolarHBondContact O-CB 3.44Å; S563-F567 PolarHBondContact O-N 2.81Å; F567-R569 VanDerWaalsContact C-N 3.28Å; F567-R569 PolarHBondContact O-N 3.44Å; F567-I570 PolarHBondContact O-N 3.07Å; F567-I571 HydrophobicContact CD1-CD1 3.85Å; F567-I571 HydrophobicContact CD2-CD1 4.43Å; F567-I571 HydrophobicContact CE1-CD1 3.42Å; F567-I571 VanDerWaalsContact CE1-CD1 3.42Å; F567-I571 HydrophobicContact CE2-CD1 4.04Å; F567-I571 HydrophobicContact CG-CD1 4.35Å; F567-I571 HydrophobicContact CZ-CD1 3.53Å; F567-I571 HydrophobicContact CZ-CG1 4.45Å; F567-I571 WeakPolarHBondContact O-CG1 3.47Å; F567-I571 PolarHBondContact O-N 3.08Å
568R95.7Very high94Very high77 Ų7743.2 Ų43.229%0.29125%0.247SC..Hα-helixtrans-56-43.4172.6-172.4-172.988.4-165.61.8111.8T564 S566 I571 S572 D578 I579 L583T564-R568 WeakPolarHBondContact O-CB 3.47Å; T564-R568 PolarHBondContact O-N 3.13Å; T564-R568 VanDerWaalsContact O-N 3.12Å; S566-R568 PolarHBondContact O-N 3.32Å; R568-I571 PolarHBondContact O-N 3.45Å; R568-S572 WeakPolarHBondContact O-CB 3.48Å; R568-S572 PolarHBondContact O-N 3.22Å; R568-D578 VanDerWaalsContact CD-OD1 3.24Å; R568-D578 WeakPolarHBondContact CD-OD1 3.46Å; R568-D578 WeakPolarHBondContact CG-OD1 3.23Å; R568-D578 IonicContact NE-OD1 3.22Å; R568-I579 HydrophobicContact CB-CG1 4.46Å; R568-I579 HydrophobicContact CG-CG1 3.91Å; R568-L583 HydrophobicContact CB-CD1 3.98Å; R568-L583 HydrophobicContact CG-CD1 4.16Å
569R95.2Very high94.3Very high129 Ų12941.7 Ų41.749%0.48723%0.233SC..Hα-helixtrans-64-45.6-179.1-167.2-170.4-56.6121.82.4111.3A565 S566 F567 S572 M573A565-R569 PolarHBondContact O-N 2.98Å; A565-R569 VanDerWaalsContact O-N 3.11Å; S566-R569 WeakPolarHBondContact O-CB 3.45Å; S566-R569 PolarHBondContact O-N 3.05Å; S566-R569 VanDerWaalsContact O-N 3.11Å; F567-R569 VanDerWaalsContact C-N 3.28Å; F567-R569 PolarHBondContact O-N 3.44Å; R569-S572 PolarHBondContact O-N 3.35Å; R569-M573 WeakPolarHBondContact O-CB 3.44Å; R569-M573 PolarHBondContact O-N 2.96Å
570I95.8Very high94.4Very high21 Ų2145 Ų4511%0.10824%0.243CC..Hα-helixtrans-66-41.6178.8-62.6-66000111V494 K497 L498 L501 S566 F567 S572 M573 V574V494-I570 HydrophobicContact CG1-CG2 4.13Å; K497-I570 HydrophobicContact CB-CG2 4.43Å; K497-I570 HydrophobicContact CG-CG2 4.21Å; L498-I570 HydrophobicContact CD2-CB 4.15Å; L498-I570 HydrophobicContact CD2-CG1 3.81Å; L498-I570 HydrophobicContact CD2-CG2 4.07Å; L498-I570 HydrophobicContact CG-CG2 4.22Å; L501-I570 HydrophobicContact CD1-CD1 3.84Å; S566-I570 WeakPolarHBondContact O-CG1 3.48Å; S566-I570 PolarHBondContact O-N 2.81Å; F567-I570 PolarHBondContact O-N 3.07Å; I570-S572 PolarHBondContact O-N 2.91Å; I570-M573 WeakPolarHBondContact O-CB 3.38Å; I570-M573 PolarHBondContact O-N 3.46Å; I570-V574 HydrophobicContact CG2-CG2 4.45Å; I570-V574 WeakPolarHBondContact O-CG2 3.38Å; I570-V574 PolarHBondContact O-N 3.47Å
571I96.5Very high94.3Very high0 Ų051.1 Ų51.10%028%0.275CS..Hα-helixtrans-59.1-47.8173-72.1174.7000110.8L486 V494 F567 R568 M573 V574 T575 I579L486-I571 HydrophobicContact CD1-CG2 4.02Å; V494-I571 HydrophobicContact CG1-CG1 3.69Å; V494-I571 HydrophobicContact CG2-CG1 4.09Å; F567-I571 HydrophobicContact CD1-CD1 3.85Å; F567-I571 HydrophobicContact CD2-CD1 4.43Å; F567-I571 HydrophobicContact CE1-CD1 3.42Å; F567-I571 VanDerWaalsContact CE1-CD1 3.42Å; F567-I571 HydrophobicContact CE2-CD1 4.04Å; F567-I571 HydrophobicContact CG-CD1 4.35Å; F567-I571 HydrophobicContact CZ-CD1 3.53Å; F567-I571 HydrophobicContact CZ-CG1 4.45Å; F567-I571 WeakPolarHBondContact O-CG1 3.47Å; F567-I571 PolarHBondContact O-N 3.08Å; R568-I571 PolarHBondContact O-N 3.45Å; I571-M573 VanDerWaalsContact C-N 3.26Å; I571-M573 PolarHBondContact O-N 3.06Å; I571-V574 PolarHBondContact O-N 3.44Å; I571-T575 HydrophobicContact CG2-CG2 4.27Å; I571-T575 WeakPolarHBondContact O-CB 3.4Å; I571-T575 WeakPolarHBondContact O-CG2 3.37Å; I571-T575 PolarHBondContact O-N 3.29Å; I571-T575 PolarHBondContact O-OG1 3.09Å; I571-I579 HydrophobicContact CB-CD1 4.42Å; I571-I579 HydrophobicContact CD1-CD1 3.51Å; I571-I579 HydrophobicContact CG2-CD1 4.29Å; I571-I579 HydrophobicContact CG2-CG1 4.38Å; I571-I579 HydrophobicContact CG2-CG2 3.88Å
572S96Very high94.3Very high46 Ų4650.9 Ų50.932%0.32227%0.274SS..Hα-helixtrans-62.5-34178-176.70000112.6R568 R569 I570 G576 Q577R568-S572 WeakPolarHBondContact O-CB 3.48Å; R568-S572 PolarHBondContact O-N 3.22Å; R569-S572 PolarHBondContact O-N 3.35Å; I570-S572 PolarHBondContact O-N 2.91Å; S572-G576 WeakPolarHBondContact O-CA 3.49Å; S572-G576 PolarHBondContact O-N 3.49Å; S572-Q577 VanDerWaalsContact CA-O 3.32Å; S572-Q577 WeakPolarHBondContact CA-O 3.44Å
573M94.9Very high94.3Very high134 Ų13451 Ų5166%0.6628%0.275SS*.Hα-helixtrans-68.9-42177.2-177.5-176.317700112.1R569 I570 I571R569-M573 WeakPolarHBondContact O-CB 3.44Å; R569-M573 PolarHBondContact O-N 2.96Å; I570-M573 WeakPolarHBondContact O-CB 3.38Å; I570-M573 PolarHBondContact O-N 3.46Å; I571-M573 VanDerWaalsContact C-N 3.26Å; I571-M573 PolarHBondContact O-N 3.06Å
574V95Very high94.3Very high52 Ų5252.9 Ų52.932%0.31528%0.284SS..Hα-helixtrans-78.5-40.2-178.21750000111.6Q493 V494 K497 I570 I571Q493-V574 HydrophobicContact CB-CG1 4.28Å; V494-V574 HydrophobicContact CG2-CB 3.83Å; V494-V574 HydrophobicContact CG2-CG1 3.9Å; V494-V574 HydrophobicContact CG2-CG2 4.07Å; K497-V574 HydrophobicContact CB-CG2 4.49Å; I570-V574 HydrophobicContact CG2-CG2 4.45Å; I570-V574 WeakPolarHBondContact O-CG2 3.38Å; I570-V574 PolarHBondContact O-N 3.47Å; I571-V574 PolarHBondContact O-N 3.44Å
575T94.3Very high94.1Very high33 Ų3354.7 Ų54.720%0.20229%0.291CS..Hα-helixtrans-101.9-18.4-169.969.10000114.3L486 V490 I571 Q577L486-T575 HydrophobicContact CD2-CG2 4.41Å; V490-T575 HydrophobicContact CG1-CG2 3.34Å; I571-T575 HydrophobicContact CG2-CG2 4.27Å; I571-T575 WeakPolarHBondContact O-CB 3.4Å; I571-T575 WeakPolarHBondContact O-CG2 3.37Å; I571-T575 PolarHBondContact O-N 3.29Å; I571-T575 PolarHBondContact O-OG1 3.09Å; T575-Q577 PolarHBondContact O-N 3.38Å; T575-Q577 PolarHBondContact OG1-N 3.11Å; T575-Q577 VanDerWaalsContact OG1-N 3.1Å
576G92.9Very high94.2Very high66 Ų6652.3 Ų52.368%0.6827%0.271SS*.SBendtrans71.61.8-168.300000114.6S572S572-G576 WeakPolarHBondContact O-CA 3.49Å; S572-G576 PolarHBondContact O-N 3.49Å
577Q91.9Very high94.2Very high96 Ų9651.7 Ų51.745%0.44927%0.267SS..  trans-104.3134.4-177.9-57.5-174.922.100111.9S572 T575S572-Q577 VanDerWaalsContact CA-O 3.32Å; S572-Q577 WeakPolarHBondContact CA-O 3.44Å; T575-Q577 PolarHBondContact O-N 3.38Å; T575-Q577 PolarHBondContact OG1-N 3.11Å; T575-Q577 VanDerWaalsContact OG1-N 3.1Å
578D91.3Very high94Very high72 Ų7252.1 Ų52.139%0.38527%0.269SS..  trans-87.8118.1169.3-169.2-0.3000110.2R568 R580R568-D578 VanDerWaalsContact CD-OD1 3.24Å; R568-D578 WeakPolarHBondContact CD-OD1 3.46Å; R568-D578 WeakPolarHBondContact CG-OD1 3.23Å; R568-D578 IonicContact NE-OD1 3.22Å; D578-R580 VanDerWaalsContact C-N 3.31Å; D578-R580 WeakPolarHBondContact OD1-CB 3.42Å; D578-R580 PolarHBondContact OD1-N 3.28Å; D578-R580 IonicContact OD2-CZ 2.96Å; D578-R580 IonicContact OD2-NE 3.09Å; D578-R580 PolarHBondContact OD2-NE 3.45Å; D578-R580 IonicContact OD2-NH2 3.9Å; D578-R580 PolarHBondContact OD2-NH2 3.11Å
579I94.9Very high93.7Very high2 Ų254.1 Ų54.11%0.0128%0.282CS..  trans-89.210.8178.461.9163.6000113.2L482 R568 I571 N581 F582 L583L482-I579 HydrophobicContact CD1-CD1 4.45Å; L482-I579 HydrophobicContact CD2-CD1 4.11Å; L482-I579 HydrophobicContact CD2-CG2 4.34Å; R568-I579 HydrophobicContact CB-CG1 4.46Å; R568-I579 HydrophobicContact CG-CG1 3.91Å; I571-I579 HydrophobicContact CB-CD1 4.42Å; I571-I579 HydrophobicContact CD1-CD1 3.51Å; I571-I579 HydrophobicContact CG2-CD1 4.29Å; I571-I579 HydrophobicContact CG2-CG1 4.38Å; I571-I579 HydrophobicContact CG2-CG2 3.88Å; I579-N581 VanDerWaalsContact C-N 3.31Å; I579-N581 PolarHBondContact O-N 2.96Å; I579-F582 HydrophobicContact CB-CB 4.44Å; I579-F582 WeakPolarHBondContact O-CA 3.27Å; I579-F582 VanDerWaalsContact O-CB 3.32Å; I579-F582 WeakPolarHBondContact O-CB 2.9Å; I579-F582 PolarHBondContact O-N 2.88Å; I579-L583 HydrophobicContact CD1-CD1 3.85Å; I579-L583 HydrophobicContact CD1-CD2 4.06Å; I579-L583 HydrophobicContact CD1-CG 3.9Å; I579-L583 HydrophobicContact CG1-CD1 3.92Å; I579-L583 HydrophobicContact CG1-CG 4.09Å; I579-L583 PolarHBondContact O-N 3.02Å
580R94.5Very high93.5Very high111 Ų11149.3 Ų49.342%0.41927%0.269SS..Hα-helixtrans-49.7-45.9-177.8-172.4-176.7-47.5-1675114.3D578 F582 L583 N584D578-R580 VanDerWaalsContact C-N 3.31Å; D578-R580 WeakPolarHBondContact OD1-CB 3.42Å; D578-R580 PolarHBondContact OD1-N 3.28Å; D578-R580 IonicContact OD2-CZ 2.96Å; D578-R580 IonicContact OD2-NE 3.09Å; D578-R580 PolarHBondContact OD2-NE 3.45Å; D578-R580 IonicContact OD2-NH2 3.9Å; D578-R580 PolarHBondContact OD2-NH2 3.11Å; R580-F582 VanDerWaalsContact C-N 3.29Å; R580-F582 PolarHBondContact O-N 2.59Å; R580-L583 PolarHBondContact O-N 3.36Å; R580-N584 WeakPolarHBondContact O-CB 3.42Å; R580-N584 VanDerWaalsContact O-CG 3.3Å; R580-N584 PolarHBondContact O-N 2.94Å
581N92.4Very high93.3Very high127 Ų12748.3 Ų48.368%0.67927%0.265SS*.Hα-helixtrans-65.7-36.3-179.5-68.6-9.8000111.7I579 Q585I579-N581 VanDerWaalsContact C-N 3.31Å; I579-N581 PolarHBondContact O-N 2.96Å; N581-Q585 WeakPolarHBondContact O-CB 3.44Å; N581-Q585 PolarHBondContact O-N 2.81Å
582F94.5Very high93.3Very high9 Ų948.3 Ų48.34%0.03927%0.265CS..Hα-helixtrans-64.9-48.6174.5173.1-86000111.2V478 M481 L482 I579 R580 N584 Q585 W586V478-F582 HydrophobicContact CG1-CE1 3.79Å; V478-F582 HydrophobicContact CG1-CZ 3.99Å; M481-F582 HydrophobicContact CB-CE2 3.96Å; M481-F582 HydrophobicContact CB-CZ 3.87Å; M481-F582 HydrophobicContact CE-CE2 4.1Å; L482-F582 HydrophobicContact CD1-CE1 3.91Å; L482-F582 HydrophobicContact CD2-CD1 3.45Å; L482-F582 VanDerWaalsContact CD2-CD1 3.45Å; L482-F582 HydrophobicContact CD2-CD2 4.47Å; L482-F582 HydrophobicContact CD2-CE1 3.34Å; L482-F582 HydrophobicContact CD2-CE2 4.35Å; L482-F582 HydrophobicContact CD2-CG 4.05Å; L482-F582 HydrophobicContact CD2-CZ 3.82Å; L482-F582 HydrophobicContact CG-CD1 4.01Å; L482-F582 HydrophobicContact CG-CE1 3.35Å; L482-F582 HydrophobicContact CG-CZ 3.67Å; I579-F582 HydrophobicContact CB-CB 4.44Å; I579-F582 WeakPolarHBondContact O-CA 3.27Å; I579-F582 VanDerWaalsContact O-CB 3.32Å; I579-F582 WeakPolarHBondContact O-CB 2.9Å; I579-F582 PolarHBondContact O-N 2.88Å; R580-F582 VanDerWaalsContact C-N 3.29Å; R580-F582 PolarHBondContact O-N 2.59Å; F582-N584 VanDerWaalsContact C-N 3.35Å; F582-N584 PolarHBondContact O-N 3.24Å; F582-Q585 PolarHBondContact O-N 2.94Å; F582-W586 AromaticContact CD2-CD1 3.57Å; F582-W586 AromaticContact CE2-CD1 3.51Å; F582-W586 HydrophobicContact CE2-CG 4.32Å; F582-W586 HydrophobicContact CZ-CG 4.45Å; F582-W586 PolarHBondContact O-N 3.04Å
583L94.8Very high93.2Very high6 Ų646.1 Ų46.13%0.03125%0.249CC..Hα-helixtrans-62.5-43.1178.9-66.2176.3000111.4W397 T564 R568 I579 R580 Q585 A587 C588W397-L583 HydrophobicContact CH2-CD2 3.74Å; W397-L583 HydrophobicContact CZ2-CD2 4.03Å; T564-L583 HydrophobicContact CG2-CD1 4.05Å; R568-L583 HydrophobicContact CB-CD1 3.98Å; R568-L583 HydrophobicContact CG-CD1 4.16Å; I579-L583 HydrophobicContact CD1-CD1 3.85Å; I579-L583 HydrophobicContact CD1-CD2 4.06Å; I579-L583 HydrophobicContact CD1-CG 3.9Å; I579-L583 HydrophobicContact CG1-CD1 3.92Å; I579-L583 HydrophobicContact CG1-CG 4.09Å; I579-L583 PolarHBondContact O-N 3.02Å; R580-L583 PolarHBondContact O-N 3.36Å; L583-Q585 VanDerWaalsContact C-N 3.3Å; L583-Q585 PolarHBondContact O-N 3.3Å; L583-A587 WeakPolarHBondContact O-CA 3.46Å; L583-A587 VanDerWaalsContact O-CB 3.29Å; L583-A587 WeakPolarHBondContact O-CB 3.43Å; L583-A587 PolarHBondContact O-N 3.26Å; L583-C588 PolarHBondContact O-N 3.14Å
584N92.6Very high93.3Very high49 Ų4942.5 Ų42.526%0.26223%0.228SC..Iπ-helixtrans-57.7-45.7175.1-75.8-15.4000110.6K447 R580 F582 H589K447-N584 PolarHBondContact NZ-OD1 3Å; R580-N584 WeakPolarHBondContact O-CB 3.42Å; R580-N584 VanDerWaalsContact O-CG 3.3Å; R580-N584 PolarHBondContact O-N 2.94Å; F582-N584 VanDerWaalsContact C-N 3.35Å; F582-N584 PolarHBondContact O-N 3.24Å; N584-H589 PolarHBondContact O-N 3.29Å; N584-H589 PolarHBondContact O-ND1 3.36Å
585Q91.9Very high93.3Very high52 Ų5240 Ų4024%0.24321%0.213CC..Iπ-helixtrans-68.7-42.6-176.9-174.2170.135.500113.9N581 F582 L583 L622N581-Q585 WeakPolarHBondContact O-CB 3.44Å; N581-Q585 PolarHBondContact O-N 2.81Å; F582-Q585 PolarHBondContact O-N 2.94Å; L583-Q585 VanDerWaalsContact C-N 3.3Å; L583-Q585 PolarHBondContact O-N 3.3Å; Q585-L622 HydrophobicContact CG-CD1 4.48Å
586W94.5Very high93.4Very high4 Ų442.1 Ų42.12%0.01522%0.22CC..Iπ-helixtrans-108.8-25.4-167.7-63.1108.1000115V478 M481 F582 V593 L622 Y624 I700 I701V478-W586 HydrophobicContact CG1-CB 4.36Å; V478-W586 HydrophobicContact CG2-CB 4.03Å; M481-W586 HydrophobicContact CE-CD2 3.57Å; M481-W586 HydrophobicContact CE-CE3 4.12Å; M481-W586 HydrophobicContact CE-CG 3.96Å; M481-W586 HydrophobicContact CE-CH2 4.08Å; M481-W586 HydrophobicContact CE-CZ2 3.56Å; M481-W586 HydrophobicContact CE-CZ3 4.36Å; M481-W586 HydrophobicContact SD-CD2 4.41Å; F582-W586 AromaticContact CD2-CD1 3.57Å; F582-W586 AromaticContact CE2-CD1 3.51Å; F582-W586 HydrophobicContact CE2-CG 4.32Å; F582-W586 HydrophobicContact CZ-CG 4.45Å; F582-W586 PolarHBondContact O-N 3.04Å; W586-V593 HydrophobicContact CH2-CG2 3.81Å; W586-L622 HydrophobicContact CE3-CD2 4.18Å; W586-L622 HydrophobicContact CH2-CD2 3.96Å; W586-L622 HydrophobicContact CZ3-CD2 3.57Å; W586-Y624 HydrophobicContact CH2-CD2 4.45Å; W586-Y624 AromaticContact CZ2-CD2 3.82Å; W586-Y624 HydrophobicContact CZ2-CD2 3.82Å; W586-Y624 AromaticContact CZ2-CE2 3.7Å; W586-Y624 HydrophobicContact CZ2-CE2 3.7Å; W586-I700 HydrophobicContact CH2-CB 4.21Å; W586-I700 HydrophobicContact CZ2-CB 4.21Å; W586-I700 HydrophobicContact CZ2-CG2 4.35Å; W586-I701 HydrophobicContact CE3-CD1 4.19Å; W586-I701 HydrophobicContact CH2-CB 4.38Å; W586-I701 HydrophobicContact CZ3-CB 3.81Å; W586-I701 HydrophobicContact CZ3-CD1 4.33Å; W586-I701 HydrophobicContact CZ3-CG1 4.3Å
587A93.4Very high93.6Very high0 Ų039 Ų390%019%0.188CC..Iπ-helixtrans-99.8-46178.800000112.2W397 L443 D444 L583W397-A587 HydrophobicContact CH2-CB 4.46Å; W397-A587 HydrophobicContact CZ2-CB 4.13Å; L443-A587 HydrophobicContact CB-CB 4.18Å; L443-A587 HydrophobicContact CD1-CB 4.49Å; L443-A587 PolarHBondContact N-O 3.44Å; D444-A587 PolarHBondContact N-O 2.97Å; L583-A587 WeakPolarHBondContact O-CA 3.46Å; L583-A587 VanDerWaalsContact O-CB 3.29Å; L583-A587 WeakPolarHBondContact O-CB 3.43Å; L583-A587 PolarHBondContact O-N 3.26Å
588C91.4Very high93.8Very high8 Ų839.9 Ų39.95%0.05419%0.19CC..Iπ-helixtrans-86.4-19.1-176-52.50000114.2L583L583-C588 PolarHBondContact O-N 3.14Å
589H89.9Confident94.1Very high120 Ų12038.2 Ų38.256%0.55618%0.179SC*.SBendtrans-116.8146.5177.1-65.980.6000110.6N584N584-H589 PolarHBondContact O-N 3.29Å; N584-H589 PolarHBondContact O-ND1 3.36Å
590A90.9Very high94Very high27 Ų2744.1 Ų44.122%0.22321%0.207CC..  trans-85.6160175.400000112.4G440 I441 V442 L452G440-A590 VanDerWaalsContact C-CB 3.42Å; G440-A590 VanDerWaalsContact CA-CB 3.45Å; I441-A590 WeakPolarHBondContact O-CA 3.02Å; V442-A590 HydrophobicContact CG2-CB 3.79Å; L452-A590 HydrophobicContact CD1-CB 4.38Å
591G91.5Very high94Very high1 Ų139.9 Ų39.91%0.0119%0.191CC..  trans118.5173.2170.100000113.9E435 K474 G620 L622E435-G591 WeakPolarHBondContact OE1-CA 3.19Å; E435-G591 PolarHBondContact OE1-N 2.99Å; E435-G591 WeakPolarHBondContact OE2-CA 3.38Å; K474-G591 PolarHBondContact NZ-O 3Å; G591-G620 CarbonylContact C-O 3.56Å; G591-G620 WeakPolarHBondContact CA-O 2.96Å; G591-L622 VanDerWaalsContact C-CD2 3.49Å; G591-L622 VanDerWaalsContact O-CD2 3.31Å; G591-L622 WeakPolarHBondContact O-CD2 3.33Å
592H94.9Very high94Very high0 Ų035.5 Ų35.50%017%0.168CC..BIsolated β-bridgetrans-133.3167.4173.561.6-78.6000110.8T432 E435 N436 G620 T621 L622 I701T432-H592 HydrophobicContact CG2-CB 3.78Å; T432-H592 PolarHBondContact O-CE1 2.94Å; E435-H592 IonicContact OE2-CG 3.68Å; E435-H592 PolarHBondContact OE2-N 2.65Å; E435-H592 VanDerWaalsContact OE2-N 3.11Å; E435-H592 IonicContact OE2-ND1 3.91Å; E435-H592 PolarHBondContact OE2-ND1 3.26Å; E435-H592 VanDerWaalsContact OE2-ND1 3.1Å; N436-H592 VanDerWaalsContact CG-CE1 3.41Å; N436-H592 PolarHBondContact ND2-CE1 3.43Å; N436-H592 PolarHBondContact ND2-NE2 3.33Å; N436-H592 VanDerWaalsContact ND2-NE2 3.16Å; N436-H592 PolarHBondContact OD1-CE1 2.91Å; N436-H592 PolarHBondContact OD1-NE2 3.23Å; H592-G620 PolarHBondContact CE1-O 3.22Å; H592-G620 PolarHBondContact N-O 2.69Å; H592-G620 PolarHBondContact ND1-O 3.3Å; H592-G620 VanDerWaalsContact ND1-O 3.15Å; H592-T621 CarbonylContact O-C 3.6Å; H592-T621 VanDerWaalsContact O-CA 3.31Å; H592-T621 WeakPolarHBondContact O-CA 3.47Å; H592-L622 PolarHBondContact O-N 2.97Å; H592-I701 HydrophobicContact CB-CG2 3.84Å
593V95.4Very high93.8Very high0 Ų041.2 Ų41.20%019%0.189CC..EExtended strand (participates in β ladder)trans-91.6122.7-177.7-176.70000109.7W586 I595 L622 Y624 I700 I701 H702 D703W586-V593 HydrophobicContact CH2-CG2 3.81Å; V593-I595 HydrophobicContact CG1-CD1 3.65Å; V593-I595 HydrophobicContact CG1-CG1 3.78Å; V593-L622 HydrophobicContact CG2-CD1 3.84Å; V593-L622 HydrophobicContact CG2-CD2 4.1Å; V593-L622 HydrophobicContact CG2-CG 3.86Å; V593-Y624 VanDerWaalsContact CG2-CB 3.47Å; V593-Y624 HydrophobicContact CG2-CD2 4.07Å; V593-Y624 HydrophobicContact CG2-CG 3.82Å; V593-I700 HydrophobicContact CB-CD1 4.37Å; V593-I700 HydrophobicContact CG1-CD1 4.35Å; V593-I700 HydrophobicContact CG2-CD1 4.46Å; V593-I701 PolarHBondContact N-O 2.92Å; V593-H702 HydrophobicContact CB-CB 4.21Å; V593-H702 CarbonylContact O-C 3.57Å; V593-H702 WeakPolarHBondContact O-CA 3.4Å; V593-H702 WeakPolarHBondContact O-CB 3.35Å; V593-D703 PolarHBondContact O-N 2.79Å
594R95.6Very high93.6Very high57 Ų5750.7 Ų50.722%0.21523%0.23CC..EExtended strand (participates in β ladder)trans-112.9119.6176.8-167.1174.2-155.8-170.24.3111.1F596 Q614 D615 S618 T621 D703R594-F596 HydrophobicContact CG-CE2 4.41Å; R594-Q614 WeakPolarHBondContact O-CA 3.03Å; R594-D615 HydrophobicContact CB-CB 4.22Å; R594-D615 HydrophobicContact CG-CB 4.24Å; R594-D615 IonicContact NH1-OD2 2.99Å; R594-D615 PolarHBondContact O-N 3.09Å; R594-S618 PolarHBondContact NH1-OG 3.2Å; R594-S618 VanDerWaalsContact NH1-OG 3.12Å; R594-T621 HydrophobicContact CB-CG2 3.71Å; R594-D703 VanDerWaalsContact CA-O 3.3Å; R594-D703 WeakPolarHBondContact CA-O 3.42Å; R594-D703 HydrophobicContact CG-CB 4.23Å; R594-D703 IonicContact CZ-OD2 3.53Å; R594-D703 IonicContact NE-OD2 3.12Å; R594-D703 PolarHBondContact NE-OD2 3.15Å; R594-D703 IonicContact NH2-OD2 2.82Å; R594-D703 PolarHBondContact NH2-OD2 2.98Å
595I95.9Very high93.6Very high0 Ų054.9 Ų54.90%024%0.242CC..EExtended strand (participates in β ladder)trans-127.6132.7-172.8-61.5164.7000110.5V593 L612 Q614 I628 L645 D703 I704 H705V593-I595 HydrophobicContact CG1-CD1 3.65Å; V593-I595 HydrophobicContact CG1-CG1 3.78Å; I595-L612 HydrophobicContact CG2-CB 4.33Å; I595-L612 HydrophobicContact CG2-CD2 4.07Å; I595-Q614 HydrophobicContact CG1-CG 4.36Å; I595-I628 HydrophobicContact CD1-CD1 3.52Å; I595-L645 HydrophobicContact CD1-CD2 3.84Å; I595-L645 HydrophobicContact CG1-CD2 4.45Å; I595-D703 PolarHBondContact N-O 3.22Å; I595-I704 HydrophobicContact CB-CG1 4.28Å; I595-I704 HydrophobicContact CD1-CG1 4.47Å; I595-I704 WeakPolarHBondContact O-CA 3.03Å; I595-H705 PolarHBondContact O-N 3.16Å
596F96.7Very high93.7Very high78 Ų7854.5 Ų54.534%0.34224%0.242SC..EExtended strand (participates in β ladder)trans-104.8123.7165.5-64.2-85.3000109R594 K613 D615 H705R594-F596 HydrophobicContact CG-CE2 4.41Å; F596-K613 PolarHBondContact N-O 2.69Å; F596-K613 PolarHBondContact O-N 3.37Å; F596-D615 HydrophobicContact CD2-CB 4.32Å; F596-D615 HydrophobicContact CE2-CB 3.88Å; F596-H705 WeakPolarHBondContact CA-O 3.4Å; F596-H705 HydrophobicContact CD1-CB 3.67Å; F596-H705 HydrophobicContact CE1-CB 3.88Å; F596-H705 AromaticContact CE1-CD2 3.89Å; F596-H705 AromaticContact CE1-CG 3.86Å
597A97.1Very high93.7Very high1 Ų155.2 Ų55.21%0.00825%0.247CC..EExtended strand (participates in β ladder)trans-113.9132.5-17800000111.2E611 L612 I694 H705 V706 D707A597-E611 WeakPolarHBondContact CA-O 3.38Å; A597-L612 HydrophobicContact CB-CD2 3.53Å; A597-I694 HydrophobicContact CB-CD1 3.4Å; A597-I694 VanDerWaalsContact CB-CD1 3.4Å; A597-H705 PolarHBondContact N-O 3.13Å; A597-V706 HydrophobicContact CB-CG1 4.34Å; A597-V706 HydrophobicContact CB-CG2 4.42Å; A597-D707 PolarHBondContact O-N 3.22Å
598K96.6Very high93.9Very high113 Ų11355.2 Ų55.249%0.49125%0.247SC..EExtended strand (participates in β ladder)trans-130.9146.9171.1-62.7-166171.2-155.50109E611 D707K598-E611 HydrophobicContact CB-CB 4.48Å; K598-E611 PolarHBondContact N-O 3.14Å; K598-E611 WeakPolarHBondContact O-CA 3.24Å; K598-E611 PolarHBondContact O-N 3.16Å; K598-D707 VanDerWaalsContact CE-OD2 3.31Å; K598-D707 WeakPolarHBondContact CE-OD2 3.34Å; K598-D707 HydrophobicContact CG-CB 3.99Å; K598-D707 IonicContact NZ-OD2 2.66Å; K598-D707 PolarHBondContact NZ-OD2 3.37Å
599F96Very high94.1Very high37 Ų3757.6 Ų57.616%0.16226%0.257CS..EExtended strand (participates in β ladder)trans-145.2157.9176.361-91.8000113V608 E609 L610 L689 L692 V706 Q708 M712F599-V608 HydrophobicContact CB-CG1 3.97Å; F599-V608 HydrophobicContact CD2-CG1 4.22Å; F599-V608 HydrophobicContact CG-CG1 4.38Å; F599-E609 CarbonylContact C-O 3.56Å; F599-E609 VanDerWaalsContact CA-O 3.23Å; F599-E609 WeakPolarHBondContact CA-O 3.34Å; F599-L610 HydrophobicContact CB-CD1 4.05Å; F599-L689 HydrophobicContact CD2-CD2 3.83Å; F599-L689 HydrophobicContact CE2-CD2 3.56Å; F599-L689 HydrophobicContact CZ-CD2 4.48Å; F599-L692 HydrophobicContact CB-CD1 4.44Å; F599-L692 HydrophobicContact CD1-CB 4.33Å; F599-L692 HydrophobicContact CD1-CD1 3.77Å; F599-L692 HydrophobicContact CD1-CG 4.46Å; F599-L692 HydrophobicContact CE1-CB 3.8Å; F599-L692 HydrophobicContact CE1-CD1 4.1Å; F599-L692 HydrophobicContact CE1-CD2 4.48Å; F599-L692 HydrophobicContact CE1-CG 4.36Å; F599-L692 HydrophobicContact CG-CD1 4.08Å; F599-L692 HydrophobicContact CZ-CB 4.05Å; F599-V706 HydrophobicContact CE1-CG1 4.15Å; F599-Q708 HydrophobicContact CE1-CG 3.67Å; F599-Q708 HydrophobicContact CZ-CB 4.34Å; F599-Q708 HydrophobicContact CZ-CG 3.89Å; F599-M712 HydrophobicContact CE2-CE 4.16Å; F599-M712 HydrophobicContact CE2-SD 3.93Å; F599-M712 HydrophobicContact CZ-SD 3.76Å
600H94Very high94.5Very high127 Ų12751.9 Ų51.959%0.58823%0.23SC*.EExtended strand (participates in β ladder)trans-139.5140.5174-177.466.1000110.6V608 E609H600-V608 CarbonylContact O-C 3.59Å; H600-E609 PolarHBondContact N-O 3.22Å; H600-E609 PolarHBondContact O-N 3.18Å
601F93.9Very high94.8Very high22 Ų2253.1 Ų53.110%0.09623%0.232CC..EExtended strand (participates in β ladder)trans-89.1114.7175.2176.4-105.5000111R603 V608 C656 E686 P688F601-R603 HydrophobicContact CD1-CB 4.41Å; F601-R603 HydrophobicContact CE1-CB 3.84Å; F601-R603 HydrophobicContact CE1-CG 4.39Å; F601-R603 PolarHBondContact O-N 3.27Å; F601-V608 HydrophobicContact CD2-CG2 4.09Å; F601-C656 HydrophobicContact CE2-CB 3.83Å; F601-E686 VanDerWaalsContact CE1-O 3.29Å; F601-E686 WeakPolarHBondContact CE1-O 3.47Å; F601-P688 HydrophobicContact CE1-CG 4.41Å; F601-P688 HydrophobicContact CE2-CG 3.92Å; F601-P688 HydrophobicContact CZ-CG 3.77Å
602N93.3Very high95Very high35 Ų3553.1 Ų53.119%0.18723%0.231CC..EExtended strand (participates in β ladder)trans-90.697.5174.7-172.3-31.1000110.9K604 R605 N606 V607 E609N602-K604 VanDerWaalsContact C-N 3.33Å; N602-K604 PolarHBondContact O-N 3Å; N602-K604 PolarHBondContact OD1-N 2.73Å; N602-K604 VanDerWaalsContact OD1-N 3.12Å; N602-R605 PolarHBondContact O-N 3.33Å; N602-R605 PolarHBondContact OD1-N 2.67Å; N602-N606 WeakPolarHBondContact O-CA 3.43Å; N602-N606 PolarHBondContact O-N 2.66Å; N602-V607 HydrophobicContact CB-CG2 4.06Å; N602-V607 PolarHBondContact N-O 3.03Å; N602-V607 PolarHBondContact O-N 3.32Å; N602-E609 HydrophobicContact CB-CG 4.02Å; N602-E609 WeakPolarHBondContact CB-OE1 3.44Å; N602-E609 PolarHBondContact ND2-OE1 2.72Å
603R88.8Confident95.1Very high128 Ų12858.7 Ų58.748%0.48326%0.256SS..THydrogen-bonded Turntrans-56.6-39.6179.5-178.4-179176.4-168.34.2114.3F601 R605 N606 E686F601-R603 HydrophobicContact CD1-CB 4.41Å; F601-R603 HydrophobicContact CE1-CB 3.84Å; F601-R603 HydrophobicContact CE1-CG 4.39Å; F601-R603 PolarHBondContact O-N 3.27Å; R603-R605 PolarHBondContact O-N 3.28Å; R603-N606 PolarHBondContact O-N 2.82Å; R603-E686 IonicContact CZ-OE1 3.72Å; R603-E686 IonicContact CZ-OE2 3.73Å; R603-E686 IonicContact NH1-OE1 2.68Å; R603-E686 PolarHBondContact NH1-OE1 3.21Å; R603-E686 IonicContact NH1-OE2 2.73Å; R603-E686 PolarHBondContact NH1-OE2 3.04Å
604K91.2Very high95.1Very high205 Ų20559 Ų5989%0.89126%0.257SS*.THydrogen-bonded Turntrans-64.8-34.8-175.6-69.7-178-1791750111.6N602N602-K604 VanDerWaalsContact C-N 3.33Å; N602-K604 PolarHBondContact O-N 3Å; N602-K604 PolarHBondContact OD1-N 2.73Å; N602-K604 VanDerWaalsContact OD1-N 3.12Å
605R92.8Very high95Very high137 Ų13757.5 Ų57.552%0.51725%0.253SS..THydrogen-bonded Turntrans-97.6-13-178.7-64.9174.567.9-150.7-0.3112.7N602 R603 V607 E609 D653N602-R605 PolarHBondContact O-N 3.33Å; N602-R605 PolarHBondContact OD1-N 2.67Å; R603-R605 PolarHBondContact O-N 3.28Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 HydrophobicContact CB-CG1 4.31Å; R605-V607 HydrophobicContact CB-CG2 3.78Å; R605-E609 IonicContact NH1-OE1 3.25Å; R605-E609 PolarHBondContact NH1-OE1 3.31Å; R605-D653 IonicContact CZ-OD2 3.13Å; R605-D653 IonicContact NH1-OD1 2.6Å; R605-D653 IonicContact NH1-OD2 2.78Å; R605-D653 PolarHBondContact NH1-OD2 3.4Å; R605-D653 IonicContact NH2-OD2 2.64Å; R605-D653 PolarHBondContact NH2-OD2 3.39Å
606N93.5Very high94.7Very high45 Ų4561.6 Ų61.624%0.24128%0.275CS..THydrogen-bonded Turntrans54.147.4-171.8-150.358.5000112.2N602 R603 C656 S658N602-N606 WeakPolarHBondContact O-CA 3.43Å; N602-N606 PolarHBondContact O-N 2.66Å; R603-N606 PolarHBondContact O-N 2.82Å; N606-C656 PolarHBondContact ND2-O 2.78Å; N606-C656 VanDerWaalsContact O-CB 3.3Å; N606-C656 WeakPolarHBondContact O-CB 3.49Å; N606-C656 PolarHBondContact O-N 2.77Å; N606-S658 PolarHBondContact ND2-O 3.4Å; N606-S658 PolarHBondContact OD1-O 3.33Å
607V95.7Very high94.4Very high19 Ų1966.9 Ų66.912%0.11530%0.301CS..EExtended strand (participates in β ladder)trans-130.7149179.4-58.10000110.5N602 R605 E609 D653 L654N602-V607 HydrophobicContact CB-CG2 4.06Å; N602-V607 PolarHBondContact N-O 3.03Å; N602-V607 PolarHBondContact O-N 3.32Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 HydrophobicContact CB-CG1 4.31Å; R605-V607 HydrophobicContact CB-CG2 3.78Å; V607-E609 HydrophobicContact CG2-CG 4.09Å; V607-D653 HydrophobicContact CB-CB 4.21Å; V607-D653 HydrophobicContact CG2-CB 4.13Å; V607-L654 CarbonylContact C-O 3.51Å; V607-L654 VanDerWaalsContact CA-O 3.25Å; V607-L654 WeakPolarHBondContact CA-O 3.4Å; V607-L654 WeakPolarHBondContact CB-O 3.46Å
608V96.4Very high94Very high0 Ų068.6 Ų68.60%031%0.312CS..EExtended strand (participates in β ladder)trans-91111.3166.4-179.40000107.4F599 H600 F601 L610 L632 L654 L689F599-V608 HydrophobicContact CB-CG1 3.97Å; F599-V608 HydrophobicContact CD2-CG1 4.22Å; F599-V608 HydrophobicContact CG-CG1 4.38Å; H600-V608 CarbonylContact O-C 3.59Å; F601-V608 HydrophobicContact CD2-CG2 4.09Å; V608-L610 PolarHBondContact O-N 3.43Å; V608-L632 HydrophobicContact CB-CD1 4.21Å; V608-L632 HydrophobicContact CG1-CD2 4.48Å; V608-L632 HydrophobicContact CG2-CD1 3.96Å; V608-L654 HydrophobicContact CB-CB 4.36Å; V608-L654 PolarHBondContact N-O 3.44Å; V608-L654 PolarHBondContact O-N 3.13Å; V608-L689 HydrophobicContact CG1-CD2 4.19Å; V608-L689 HydrophobicContact CG2-CD1 4.37Å; V608-L689 HydrophobicContact CG2-CD2 3.94Å
609E96.5Very high93.6Very high57 Ų5769.3 Ų69.327%0.26631%0.312SS..EExtended strand (participates in β ladder)trans-79.799.4175.2-55.5-174.4163.900107.3F599 H600 N602 R605 V607F599-E609 CarbonylContact C-O 3.56Å; F599-E609 VanDerWaalsContact CA-O 3.23Å; F599-E609 WeakPolarHBondContact CA-O 3.34Å; H600-E609 PolarHBondContact N-O 3.22Å; H600-E609 PolarHBondContact O-N 3.18Å; N602-E609 HydrophobicContact CB-CG 4.02Å; N602-E609 WeakPolarHBondContact CB-OE1 3.44Å; N602-E609 PolarHBondContact ND2-OE1 2.72Å; R605-E609 IonicContact NH1-OE1 3.25Å; R605-E609 PolarHBondContact NH1-OE1 3.31Å; V607-E609 HydrophobicContact CG2-CG 4.09Å
610L97.2Very high93.1Very high0 Ų068.5 Ų68.50%031%0.314CS..EExtended strand (participates in β ladder)trans-96125.6-179.3175.866.8000110.1F599 V608 L612 V630 F643 S651 R652 L654 L692F599-L610 HydrophobicContact CB-CD1 4.05Å; V608-L610 PolarHBondContact O-N 3.43Å; L610-L612 HydrophobicContact CD1-CD2 3.88Å; L610-L612 HydrophobicContact CD1-CG 4.47Å; L610-L612 HydrophobicContact CD2-CD1 4.19Å; L610-L612 HydrophobicContact CD2-CD2 4.08Å; L610-L612 HydrophobicContact CD2-CG 4.1Å; L610-L612 HydrophobicContact CG-CD2 3.98Å; L610-L612 HydrophobicContact CG-CG 4.04Å; L610-V630 HydrophobicContact CD2-CG1 4.23Å; L610-V630 HydrophobicContact CD2-CG2 3.85Å; L610-F643 HydrophobicContact CD2-CZ 4Å; L610-S651 CarbonylContact O-C 3.56Å; L610-S651 WeakPolarHBondContact O-CA 3.44Å; L610-R652 PolarHBondContact N-O 2.53Å; L610-R652 PolarHBondContact O-N 2.92Å; L610-L654 HydrophobicContact CB-CD1 4.3Å; L610-L654 HydrophobicContact CB-CG 4.48Å; L610-L654 HydrophobicContact CD2-CD1 3.93Å; L610-L692 HydrophobicContact CD1-CD1 3.97Å
611E97.3Very high93Very high53 Ų5363.7 Ų63.725%0.24829%0.294CS..EExtended strand (participates in β ladder)trans-109.7119.6173.8-167.9-164.1139.300109.9A597 K598 R649 M650A597-E611 WeakPolarHBondContact CA-O 3.38Å; K598-E611 HydrophobicContact CB-CB 4.48Å; K598-E611 PolarHBondContact N-O 3.14Å; K598-E611 WeakPolarHBondContact O-CA 3.24Å; K598-E611 PolarHBondContact O-N 3.16Å; E611-R649 VanDerWaalsContact CD-NE 3.28Å; E611-R649 HydrophobicContact CG-CG 4.46Å; E611-R649 IonicContact OE1-CZ 3.71Å; E611-R649 IonicContact OE1-NE 3.85Å; E611-R649 PolarHBondContact OE1-NE 3.35Å; E611-R649 IonicContact OE1-NH2 2.79Å; E611-R649 PolarHBondContact OE1-NH2 3.36Å; E611-R649 IonicContact OE2-CZ 3.24Å; E611-R649 IonicContact OE2-NE 3.79Å; E611-R649 IonicContact OE2-NH2 3.6Å; E611-R649 PolarHBondContact OE2-NH2 3.14Å; E611-M650 WeakPolarHBondContact CA-O 3.1Å
612L97Very high92.8Very high1 Ų163.6 Ų63.61%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-112.8128.1175.4-59.8-177.5000109.5I595 A597 L610 F643 L645 R649 M650 I694I595-L612 HydrophobicContact CG2-CB 4.33Å; I595-L612 HydrophobicContact CG2-CD2 4.07Å; A597-L612 HydrophobicContact CB-CD2 3.53Å; L610-L612 HydrophobicContact CD1-CD2 3.88Å; L610-L612 HydrophobicContact CD1-CG 4.47Å; L610-L612 HydrophobicContact CD2-CD1 4.19Å; L610-L612 HydrophobicContact CD2-CD2 4.08Å; L610-L612 HydrophobicContact CD2-CG 4.1Å; L610-L612 HydrophobicContact CG-CD2 3.98Å; L610-L612 HydrophobicContact CG-CG 4.04Å; L612-F643 HydrophobicContact CD1-CE2 3.91Å; L612-F643 HydrophobicContact CD1-CZ 4Å; L612-L645 HydrophobicContact CB-CD1 4.26Å; L612-L645 HydrophobicContact CD1-CD1 3.85Å; L612-R649 CarbonylContact O-C 3.5Å; L612-R649 WeakPolarHBondContact O-CA 3.2Å; L612-M650 HydrophobicContact CB-CE 4.41Å; L612-M650 HydrophobicContact CD1-CE 3.67Å; L612-M650 HydrophobicContact CG-CE 4.38Å; L612-M650 PolarHBondContact N-O 2.8Å; L612-M650 PolarHBondContact O-N 2.95Å; L612-I694 HydrophobicContact CD2-CD1 3.87Å
613K96Very high92.7Very high117 Ų11764.7 Ų64.751%0.50930%0.3SS..EExtended strand (participates in β ladder)trans-120.3115.8174.4-177.1-173.4175-169.70109.6F596F596-K613 PolarHBondContact N-O 2.69Å; F596-K613 PolarHBondContact O-N 3.37Å
614Q95.2Very high92.9Very high8 Ų859.1 Ų59.14%0.03728%0.279CS..EExtended strand (participates in β ladder)trans-75.4135.7169.1-63.3-167.254.600110.4R594 I595 L616 Y624 L645 E646 G648R594-Q614 WeakPolarHBondContact O-CA 3.03Å; I595-Q614 HydrophobicContact CG1-CG 4.36Å; Q614-L616 HydrophobicContact CB-CD2 4.44Å; Q614-Y624 PolarHBondContact NE2-O 2.74Å; Q614-L645 VanDerWaalsContact CD-CD2 3.5Å; Q614-L645 HydrophobicContact CG-CD2 3.88Å; Q614-L645 HydrophobicContact CG-CG 4.44Å; Q614-L645 VanDerWaalsContact NE2-CG 3.31Å; Q614-E646 PolarHBondContact NE2-O 3.07Å; Q614-G648 PolarHBondContact N-O 3.34Å
615D93.6Very high92.9Very high25 Ų2552 Ų5213%0.13425%0.253CS..  trans-93.9108.2171.7179.412.1000110.7R594 F596 Q617 S618 T621R594-D615 HydrophobicContact CB-CB 4.22Å; R594-D615 HydrophobicContact CG-CB 4.24Å; R594-D615 IonicContact NH1-OD2 2.99Å; R594-D615 PolarHBondContact O-N 3.09Å; F596-D615 HydrophobicContact CD2-CB 4.32Å; F596-D615 HydrophobicContact CE2-CB 3.88Å; D615-Q617 PolarHBondContact OD1-N 2.98Å; D615-S618 PolarHBondContact OD1-N 2.81Å; D615-S618 VanDerWaalsContact OD1-N 3.17Å; D615-S618 WeakPolarHBondContact OD2-CB 3.26Å; D615-S618 PolarHBondContact OD2-OG 3.21Å; D615-T621 WeakPolarHBondContact O-CB 3.49Å; D615-T621 WeakPolarHBondContact O-CG2 3.38Å; D615-T621 PolarHBondContact O-OG1 2.75Å
616L90.3Very high92.9Very high85 Ų8546 Ų4645%0.44523%0.234SC..  trans-102.94.1177.8-54.6179.8000112.6Q614 N623Q614-L616 HydrophobicContact CB-CD2 4.44Å; L616-N623 HydrophobicContact CD1-CB 4.38Å; L616-N623 HydrophobicContact CD2-CB 3.74Å
617Q90Very high92.9Very high190 Ų19047.8 Ų47.889%0.88825%0.248SC*.SBendtrans-99-30.1-177.7-63.9-174.8-15.300112.2D615D615-Q617 PolarHBondContact OD1-N 2.98Å
618S89.7Confident92.9Very high36 Ų3647 Ų4725%0.25224%0.243SC..SBendtrans-62.6151.8174.4-74.30000111.9R594 D615 T621R594-S618 PolarHBondContact NH1-OG 3.2Å; R594-S618 VanDerWaalsContact NH1-OG 3.12Å; D615-S618 PolarHBondContact OD1-N 2.81Å; D615-S618 VanDerWaalsContact OD1-N 3.17Å; D615-S618 WeakPolarHBondContact OD2-CB 3.26Å; D615-S618 PolarHBondContact OD2-OG 3.21Å; S618-T621 PolarHBondContact O-OG1 2.66Å; S618-T621 VanDerWaalsContact O-OG1 3.1Å
619R87.7Confident92.9Very high128 Ų12848.6 Ų48.648%0.48325%0.252SS..THydrogen-bonded Turntrans-67.1137.3177-173.7-178.5-167.1-168.7-0.1110N436 M437 R438 T621N436-R619 PolarHBondContact OD1-O 3.06Å; N436-R619 VanDerWaalsContact OD1-O 3.06Å; M437-R619 PolarHBondContact O-NH1 2.95Å; R438-R619 PolarHBondContact O-NH1 2.78Å; R438-R619 PolarHBondContact O-NH2 2.59Å; R619-T621 VanDerWaalsContact C-N 3.25Å; R619-T621 PolarHBondContact O-N 3.46Å
620G85.1Confident92.9Very high21 Ų2145.9 Ų45.922%0.21624%0.24CC..THydrogen-bonded Turntrans75.113.4173.800000113.9G591 H592G591-G620 CarbonylContact C-O 3.56Å; G591-G620 WeakPolarHBondContact CA-O 2.96Å; H592-G620 PolarHBondContact CE1-O 3.22Å; H592-G620 PolarHBondContact N-O 2.69Å; H592-G620 PolarHBondContact ND1-O 3.3Å; H592-G620 VanDerWaalsContact ND1-O 3.15Å
621T91.3Very high92.9Very high26 Ų2646.3 Ų46.316%0.1624%0.242CC..BIsolated β-bridgetrans-90.3145.5173.464.20000111.9H592 R594 D615 S618 R619H592-T621 CarbonylContact O-C 3.6Å; H592-T621 VanDerWaalsContact O-CA 3.31Å; H592-T621 WeakPolarHBondContact O-CA 3.47Å; R594-T621 HydrophobicContact CB-CG2 3.71Å; D615-T621 WeakPolarHBondContact O-CB 3.49Å; D615-T621 WeakPolarHBondContact O-CG2 3.38Å; D615-T621 PolarHBondContact O-OG1 2.75Å; S618-T621 PolarHBondContact O-OG1 2.66Å; S618-T621 VanDerWaalsContact O-OG1 3.1Å; R619-T621 VanDerWaalsContact C-N 3.25Å; R619-T621 PolarHBondContact O-N 3.46Å
622L90.3Very high92.8Very high20 Ų2043.8 Ų43.811%0.10523%0.23CC..  trans-115.8144.6178.681.593.7000110.7Q585 W586 G591 H592 V593 Y624Q585-L622 HydrophobicContact CG-CD1 4.48Å; W586-L622 HydrophobicContact CE3-CD2 4.18Å; W586-L622 HydrophobicContact CH2-CD2 3.96Å; W586-L622 HydrophobicContact CZ3-CD2 3.57Å; G591-L622 VanDerWaalsContact C-CD2 3.49Å; G591-L622 VanDerWaalsContact O-CD2 3.31Å; G591-L622 WeakPolarHBondContact O-CD2 3.33Å; H592-L622 PolarHBondContact O-N 2.97Å; V593-L622 HydrophobicContact CG2-CD1 3.84Å; V593-L622 HydrophobicContact CG2-CD2 4.1Å; V593-L622 HydrophobicContact CG2-CG 3.86Å; L622-Y624 HydrophobicContact CD1-CD2 4.39Å; L622-Y624 PolarHBondContact O-N 3.03Å
623N90.7Very high92.7Very high58 Ų5843.8 Ų43.831%0.3123%0.23SC..  trans-78.7116.5171.7177.125.6000110.4L616 E647L616-N623 HydrophobicContact CD1-CB 4.38Å; L616-N623 HydrophobicContact CD2-CB 3.74Å; N623-E647 WeakPolarHBondContact ND2-CG 3.21Å; N623-E647 PolarHBondContact ND2-OE1 3.2Å
624Y92.9Very high92.6Very high11 Ų1138.2 Ų38.24%0.04321%0.206CC..  trans-110.8123.3-175.4-178.9-100.5000111.7W586 V593 Q614 L622 G626 P627 L645 I700W586-Y624 HydrophobicContact CH2-CD2 4.45Å; W586-Y624 AromaticContact CZ2-CD2 3.82Å; W586-Y624 HydrophobicContact CZ2-CD2 3.82Å; W586-Y624 AromaticContact CZ2-CE2 3.7Å; W586-Y624 HydrophobicContact CZ2-CE2 3.7Å; V593-Y624 VanDerWaalsContact CG2-CB 3.47Å; V593-Y624 HydrophobicContact CG2-CD2 4.07Å; V593-Y624 HydrophobicContact CG2-CG 3.82Å; Q614-Y624 PolarHBondContact NE2-O 2.74Å; L622-Y624 HydrophobicContact CD1-CD2 4.39Å; L622-Y624 PolarHBondContact O-N 3.03Å; Y624-G626 VanDerWaalsContact CE1-N 3.32Å; Y624-G626 WeakPolarHBondContact CE1-O 3.46Å; Y624-G626 WeakPolarHBondContact OH-CA 3.36Å; Y624-P627 WeakPolarHBondContact OH-CD 3.48Å; Y624-P627 PolarHBondContact OH-O 3.08Å; Y624-P627 VanDerWaalsContact OH-O 3.04Å; Y624-L645 HydrophobicContact CD1-CB 4.21Å; Y624-L645 HydrophobicContact CD1-CD2 3.88Å; Y624-I700 HydrophobicContact CD1-CD1 4.33Å; Y624-I700 HydrophobicContact CE1-CD1 4.12Å; Y624-I700 HydrophobicContact CE1-CG2 4.31Å; Y624-I700 HydrophobicContact CE2-CG2 4.14Å; Y624-I700 WeakPolarHBondContact OH-CG2 3.43Å
625T92.5Very high92.4Very high55 Ų5538.2 Ų38.234%0.33721%0.206SC..  trans-118.835.9176.7560000112.5K644 L645 E647T625-K644 WeakPolarHBondContact O-CE 3.49Å; T625-K644 WeakPolarHBondContact O-CG 3.49Å; T625-L645 VanDerWaalsContact CA-O 3.28Å; T625-L645 WeakPolarHBondContact CA-O 3.27Å; T625-E647 HydrophobicContact CG2-CG 3.45Å; T625-E647 VanDerWaalsContact CG2-CG 3.45Å
626G91.2Very high92.2Very high11 Ų1140.8 Ų40.811%0.11322%0.22CC..SBendtrans-105.3-174.3178.900000113.7Y624 K644 L645Y624-G626 VanDerWaalsContact CE1-N 3.32Å; Y624-G626 WeakPolarHBondContact CE1-O 3.46Å; Y624-G626 WeakPolarHBondContact OH-CA 3.36Å; G626-K644 WeakPolarHBondContact O-CA 3.41Å; G626-L645 PolarHBondContact O-N 3.32Å
627P93.9Very high92.3Very high83 Ų8337.1 Ų37.154%0.53920%0.203SC..EExtended strand (participates in β ladder)trans-67.2136.9177.528.9-35000111.8Y624 T642 F643Y624-P627 WeakPolarHBondContact OH-CD 3.48Å; Y624-P627 PolarHBondContact OH-O 3.08Å; Y624-P627 VanDerWaalsContact OH-O 3.04Å; P627-T642 HydrophobicContact CB-CG2 4.16Å; P627-F643 CarbonylContact C-O 3.57Å; P627-F643 WeakPolarHBondContact CA-O 3.19Å
628I95.6Very high92.4Very high3 Ų329.4 Ų29.42%0.01517%0.171CC..EExtended strand (participates in β ladder)trans-126.3142168.1-166.6166.4000108.6I595 T642 F643 L645 I694I595-I628 HydrophobicContact CD1-CD1 3.52Å; I628-T642 WeakPolarHBondContact O-CA 3.42Å; I628-F643 HydrophobicContact CG2-CD2 3.75Å; I628-F643 HydrophobicContact CG2-CE2 3.34Å; I628-F643 HydrophobicContact CG2-CZ 3.91Å; I628-F643 PolarHBondContact N-O 3.24Å; I628-F643 PolarHBondContact O-N 3.3Å; I628-L645 HydrophobicContact CG2-CB 4.31Å; I628-L645 HydrophobicContact CG2-CD1 4.49Å; I628-I694 HydrophobicContact CD1-CG2 3.55Å; I628-I694 HydrophobicContact CG1-CG2 3.83Å
629T96.5Very high92.7Very high32 Ų3230.4 Ų30.420%0.19617%0.171CC..EExtended strand (participates in β ladder)trans-108.1128.5-179.4-64.40000109.7I640 T642 D695T629-I640 HydrophobicContact CG2-CG2 3.4Å; T629-I640 VanDerWaalsContact CG2-CG2 3.4Å; T629-T642 PolarHBondContact OG1-OG1 2.78Å; T629-D695 PolarHBondContact O-N 2.9Å
630V97.2Very high93Very high0 Ų029.9 Ų29.90%018%0.177CC..EExtended strand (participates in β ladder)trans-117.3129.8174.2179.70000108.2L610 L632 H641 F643 L654 L692 R693 I694L610-V630 HydrophobicContact CD2-CG1 4.23Å; L610-V630 HydrophobicContact CD2-CG2 3.85Å; V630-L632 HydrophobicContact CG1-CD2 4.19Å; V630-H641 PolarHBondContact N-O 3.47Å; V630-H641 PolarHBondContact O-N 3.36Å; V630-F643 HydrophobicContact CB-CE1 4.19Å; V630-F643 HydrophobicContact CG2-CE1 3.7Å; V630-F643 HydrophobicContact CG2-CZ 3.63Å; V630-L654 HydrophobicContact CB-CD1 4.32Å; V630-L654 HydrophobicContact CG1-CD1 3.93Å; V630-L692 HydrophobicContact CG1-CD1 3.88Å; V630-L692 HydrophobicContact CG1-CD2 4.11Å; V630-L692 HydrophobicContact CG1-CG 3.82Å; V630-R693 CarbonylContact C-O 3.59Å; V630-R693 WeakPolarHBondContact CA-O 3.38Å; V630-I694 HydrophobicContact CG2-CG1 4.31Å; V630-I694 HydrophobicContact CG2-CG2 4.4Å
631M96.2Very high93.6Very high9 Ų930.1 Ų30.14%0.04417%0.172CC..EExtended strand (participates in β ladder)trans-108.7120.1176-178.6-98.8-73.400108.9Q633 A638 I640 L692 R693M631-Q633 HydrophobicContact SD-CB 4.39Å; M631-A638 HydrophobicContact CG-CB 4.43Å; M631-A638 HydrophobicContact SD-CB 4.33Å; M631-I640 HydrophobicContact CG-CG1 4.31Å; M631-L692 WeakPolarHBondContact O-CA 3.5Å; M631-R693 HydrophobicContact CE-CB 4.13Å; M631-R693 HydrophobicContact CE-CG 3.91Å; M631-R693 PolarHBondContact N-O 2.89Å; M631-R693 PolarHBondContact O-N 2.72Å
632L96.2Very high93.8Very high0 Ų033 Ų330%019%0.19CC..EExtended strand (participates in β ladder)trans-99.1116172.5-59-178.1000108V608 V630 E634 A638 F639 L654 L689 L692V608-L632 HydrophobicContact CB-CD1 4.21Å; V608-L632 HydrophobicContact CG1-CD2 4.48Å; V608-L632 HydrophobicContact CG2-CD1 3.96Å; V630-L632 HydrophobicContact CG1-CD2 4.19Å; L632-E634 HydrophobicContact CB-CG 4.23Å; L632-A638 WeakPolarHBondContact O-CA 3.23Å; L632-F639 PolarHBondContact N-O 3.01Å; L632-F639 PolarHBondContact O-N 2.89Å; L632-L654 HydrophobicContact CD1-CB 3.85Å; L632-L654 HydrophobicContact CD1-CD1 4.01Å; L632-L654 HydrophobicContact CD2-CD1 4.23Å; L632-L654 HydrophobicContact CG-CD1 4.27Å; L632-L689 HydrophobicContact CB-CD1 4.06Å; L632-L689 HydrophobicContact CD2-CD1 4.07Å; L632-L692 HydrophobicContact CD2-CB 4.16Å; L632-L692 HydrophobicContact CD2-CD1 3.51Å; L632-L692 HydrophobicContact CD2-CG 3.83Å
633Q95.4Very high94Very high2 Ų232.5 Ų32.51%0.00919%0.187CC..EExtended strand (participates in β ladder)trans-85.6114165.6-176.673.648.700108.4M631 S669 L690 W691M631-Q633 HydrophobicContact SD-CB 4.39Å; Q633-S669 PolarHBondContact NE2-O 3.22Å; Q633-L690 HydrophobicContact CB-CB 4.48Å; Q633-L690 HydrophobicContact CG-CB 4.23Å; Q633-L690 HydrophobicContact CG-CD1 3.88Å; Q633-L690 HydrophobicContact CG-CG 4.46Å; Q633-L690 WeakPolarHBondContact O-CA 3.49Å; Q633-L690 WeakPolarHBondContact O-CB 3.31Å; Q633-L690 PolarHBondContact O-N 2.62Å; Q633-W691 HydrophobicContact CB-CD2 3.67Å; Q633-W691 HydrophobicContact CB-CE3 4.3Å; Q633-W691 HydrophobicContact CB-CG 4Å; Q633-W691 HydrophobicContact CB-CH2 4.39Å; Q633-W691 HydrophobicContact CB-CZ2 3.79Å; Q633-W691 HydrophobicContact CG-CD2 3.99Å; Q633-W691 HydrophobicContact CG-CE3 4.19Å; Q633-W691 HydrophobicContact CG-CH2 3.68Å; Q633-W691 HydrophobicContact CG-CZ2 3.46Å; Q633-W691 VanDerWaalsContact CG-CZ2 3.46Å; Q633-W691 HydrophobicContact CG-CZ3 4.02Å; Q633-W691 PolarHBondContact N-O 3.42Å; Q633-W691 PolarHBondContact O-N 3.29Å
634E93.4Very high94.2Very high0 Ų036.3 Ų36.30%020%0.201CC..EExtended strand (participates in β ladder)trans-111.2174.2178.9-49.2178.9-174.500111.4L632 D636 G637 F639 C656 H657 S658 P688L632-E634 HydrophobicContact CB-CG 4.23Å; E634-D636 PolarHBondContact O-N 3.12Å; E634-G637 PolarHBondContact N-O 3.16Å; E634-G637 PolarHBondContact O-N 2.93Å; E634-F639 HydrophobicContact CB-CD2 4.23Å; E634-F639 HydrophobicContact CB-CE2 4.34Å; E634-F639 HydrophobicContact CG-CD2 3.85Å; E634-F639 HydrophobicContact CG-CE2 4.38Å; E634-C656 WeakPolarHBondContact OE1-CA 3.12Å; E634-C656 PolarHBondContact OE2-SG 3.45Å; E634-C656 VanDerWaalsContact OE2-SG 3.4Å; E634-H657 PolarHBondContact OE1-N 3Å; E634-H657 IonicContact OE1-ND1 3.05Å; E634-H657 PolarHBondContact OE2-N 3.36Å; E634-S658 WeakPolarHBondContact CB-OG 3.36Å; E634-S658 WeakPolarHBondContact OE2-CB 2.95Å; E634-S658 PolarHBondContact OE2-N 3.3Å; E634-S658 PolarHBondContact OE2-OG 3.26Å; E634-P688 CarbonylContact C-O 3.59Å; E634-P688 WeakPolarHBondContact CA-O 3.3Å
635L90.3Very high94.2Very high8 Ų835.9 Ų35.94%0.04220%0.199CC..THydrogen-bonded Turntrans-60.1-27.6177.2-74.1178.4000114.7K666 I668 L680 P688 L690L635-K666 PolarHBondContact O-NZ 3.03Å; L635-I668 HydrophobicContact CD2-CD1 3.7Å; L635-L680 HydrophobicContact CD2-CD1 3.51Å; L635-L680 HydrophobicContact CD2-CD2 3.91Å; L635-L680 HydrophobicContact CD2-CG 4.37Å; L635-P688 HydrophobicContact CB-CB 4.46Å; L635-P688 HydrophobicContact CD1-CB 3.86Å; L635-P688 HydrophobicContact CG-CB 4.13Å; L635-P688 WeakPolarHBondContact CG-O 3.47Å; L635-P688 PolarHBondContact N-O 3.34Å; L635-L690 HydrophobicContact CD2-CD2 3.95Å
636D89.7Confident94Very high78 Ų7839.2 Ų39.242%0.41721%0.211SC..THydrogen-bonded Turntrans-102-3.1-178.8-65.5-43.3000113.2E634 S658 K666E634-D636 PolarHBondContact O-N 3.12Å; D636-S658 WeakPolarHBondContact CB-OG 3.22Å; D636-S658 PolarHBondContact N-OG 3.24Å; D636-S658 VanDerWaalsContact OD2-CA 3.3Å; D636-S658 WeakPolarHBondContact OD2-CA 3.21Å; D636-S658 WeakPolarHBondContact OD2-CB 3.45Å; D636-S658 PolarHBondContact OD2-OG 2.98Å; D636-K666 IonicContact OD1-NZ 2.67Å; D636-K666 PolarHBondContact OD1-NZ 3.37Å
637G91.7Very high93.8Very high8 Ų845 Ų458%0.08224%0.235CC..EExtended strand (participates in β ladder)trans153.7175-178.100000114.3E634 F639 S669E634-G637 PolarHBondContact N-O 3.16Å; E634-G637 PolarHBondContact O-N 2.93Å; G637-F639 WeakPolarHBondContact O-CD2 3.4Å; G637-S669 WeakPolarHBondContact CA-O 3.47Å
638A93.3Very high93.5Very high28 Ų2842.2 Ų42.223%0.23122%0.222CC..EExtended strand (participates in β ladder)trans-85.2128.3165.900000110.2M631 L632 A671M631-A638 HydrophobicContact CG-CB 4.43Å; M631-A638 HydrophobicContact SD-CB 4.33Å; L632-A638 WeakPolarHBondContact O-CA 3.23Å; A638-A671 HydrophobicContact CB-CB 3.61Å
639F95.2Very high93.3Very high57 Ų5750.2 Ų50.225%0.2525%0.251CS..EExtended strand (participates in β ladder)trans-118.3126.1177.1-65.1-87.6000110L632 E634 G637 H657L632-F639 PolarHBondContact N-O 3.01Å; L632-F639 PolarHBondContact O-N 2.89Å; E634-F639 HydrophobicContact CB-CD2 4.23Å; E634-F639 HydrophobicContact CB-CE2 4.34Å; E634-F639 HydrophobicContact CG-CD2 3.85Å; E634-F639 HydrophobicContact CG-CE2 4.38Å; G637-F639 WeakPolarHBondContact O-CD2 3.4Å; F639-H657 HydrophobicContact CD1-CB 4.14Å; F639-H657 AromaticContact CD1-CE1 3.64Å; F639-H657 AromaticContact CD1-CG 3.59Å; F639-H657 AromaticContact CD1-ND1 3.29Å; F639-H657 VanDerWaalsContact CD1-ND1 3.29Å; F639-H657 WeakPolarHBondContact CD1-ND1 3.18Å; F639-H657 HydrophobicContact CD2-CB 4.26Å; F639-H657 AromaticContact CD2-ND1 3.93Å; F639-H657 HydrophobicContact CE1-CB 3.68Å; F639-H657 AromaticContact CE1-CD2 4Å; F639-H657 AromaticContact CE1-CG 3.52Å; F639-H657 AromaticContact CE1-ND1 3.75Å; F639-H657 HydrophobicContact CE2-CB 3.81Å; F639-H657 HydrophobicContact CG-CB 4.41Å; F639-H657 AromaticContact CG-CE1 3.98Å; F639-H657 AromaticContact CG-ND1 3.39Å; F639-H657 WeakPolarHBondContact CG-ND1 3.1Å; F639-H657 HydrophobicContact CZ-CB 3.5Å; F639-H657 VanDerWaalsContact CZ-CB 3.5Å; F639-H657 AromaticContact CZ-CG 3.89Å
640I94.8Very high93.2Very high117 Ų11749.1 Ų49.160%0.624%0.244SC*.EExtended strand (participates in β ladder)trans-101.1125.3-176.5-58.1176.9000109.1T629 M631T629-I640 HydrophobicContact CG2-CG2 3.4Å; T629-I640 VanDerWaalsContact CG2-CG2 3.4Å; M631-I640 HydrophobicContact CG-CG1 4.31Å
641H96.4Very high93Very high27 Ų2753.6 Ų53.613%0.12528%0.275CS..EExtended strand (participates in β ladder)trans-117.4109.6177-61.4-82.1000109.7V630 F643 L654 H657V630-H641 PolarHBondContact N-O 3.47Å; V630-H641 PolarHBondContact O-N 3.36Å; H641-F643 HydrophobicContact CB-CD1 4.46Å; H641-L654 HydrophobicContact CB-CD1 4.43Å; H641-L654 HydrophobicContact CB-CD2 3.91Å; H641-H657 AromaticContact CE1-CE1 3.79Å
642T95.7Very high92.9Very high85 Ų8557.8 Ų57.852%0.52129%0.291SS..EExtended strand (participates in β ladder)trans-102.5130.8172.9-58.60000109.8P627 I628 T629P627-T642 HydrophobicContact CB-CG2 4.16Å; I628-T642 WeakPolarHBondContact O-CA 3.42Å; T629-T642 PolarHBondContact OG1-OG1 2.78Å
643F95.3Very high92.9Very high10 Ų1060.8 Ų60.84%0.04431%0.307CS..EExtended strand (participates in β ladder)trans-151.4163.3178.553.2-95.9000112.7L610 L612 P627 I628 V630 H641 M650 R652 L654L610-F643 HydrophobicContact CD2-CZ 4Å; L612-F643 HydrophobicContact CD1-CE2 3.91Å; L612-F643 HydrophobicContact CD1-CZ 4Å; P627-F643 CarbonylContact C-O 3.57Å; P627-F643 WeakPolarHBondContact CA-O 3.19Å; I628-F643 HydrophobicContact CG2-CD2 3.75Å; I628-F643 HydrophobicContact CG2-CE2 3.34Å; I628-F643 HydrophobicContact CG2-CZ 3.91Å; I628-F643 PolarHBondContact N-O 3.24Å; I628-F643 PolarHBondContact O-N 3.3Å; V630-F643 HydrophobicContact CB-CE1 4.19Å; V630-F643 HydrophobicContact CG2-CE1 3.7Å; V630-F643 HydrophobicContact CG2-CZ 3.63Å; H641-F643 HydrophobicContact CB-CD1 4.46Å; F643-M650 HydrophobicContact CD2-CE 3.75Å; F643-M650 HydrophobicContact CD2-SD 4.47Å; F643-M650 HydrophobicContact CE2-CE 3.26Å; F643-M650 HydrophobicContact CE2-SD 4.49Å; F643-M650 HydrophobicContact CZ-CE 4.28Å; F643-R652 VanDerWaalsContact CG-CZ 3.43Å; F643-L654 HydrophobicContact CD1-CD2 4.25Å; F643-L654 HydrophobicContact CE1-CD2 3.91Å
644K94.5Very high92.9Very high139 Ų13960.8 Ų60.860%0.60431%0.307SS*.EExtended strand (participates in β ladder)trans-77.5130.2176.3-166.4-178.4-180-172.30110.2T625 G626T625-K644 WeakPolarHBondContact O-CE 3.49Å; T625-K644 WeakPolarHBondContact O-CG 3.49Å; G626-K644 WeakPolarHBondContact O-CA 3.41Å
645L93.2Very high93Very high2 Ų263.9 Ų63.91%0.0133%0.327CS..PPolyproline II helixtrans-74.8138.5172.5-168.261.5000110I595 L612 Q614 Y624 T625 G626 I628 M650I595-L645 HydrophobicContact CD1-CD2 3.84Å; I595-L645 HydrophobicContact CG1-CD2 4.45Å; L612-L645 HydrophobicContact CB-CD1 4.26Å; L612-L645 HydrophobicContact CD1-CD1 3.85Å; Q614-L645 VanDerWaalsContact CD-CD2 3.5Å; Q614-L645 HydrophobicContact CG-CD2 3.88Å; Q614-L645 HydrophobicContact CG-CG 4.44Å; Q614-L645 VanDerWaalsContact NE2-CG 3.31Å; Y624-L645 HydrophobicContact CD1-CB 4.21Å; Y624-L645 HydrophobicContact CD1-CD2 3.88Å; T625-L645 VanDerWaalsContact CA-O 3.28Å; T625-L645 WeakPolarHBondContact CA-O 3.27Å; G626-L645 PolarHBondContact O-N 3.32Å; I628-L645 HydrophobicContact CG2-CB 4.31Å; I628-L645 HydrophobicContact CG2-CD1 4.49Å; L645-M650 HydrophobicContact CD1-CE 3.43Å; L645-M650 VanDerWaalsContact CD1-CE 3.43Å; L645-M650 HydrophobicContact CD1-SD 4.46Å
646E89.2Confident93.1Very high125 Ų12563.9 Ų63.958%0.58433%0.328SS*.PPolyproline II helixtrans-98.6160.7174.9-65.5-177.4173.700111.3Q614 M650Q614-E646 PolarHBondContact NE2-O 3.07Å; E646-M650 HydrophobicContact CB-CB 4.3Å; E646-M650 HydrophobicContact CB-CG 4.36Å; E646-M650 HydrophobicContact CB-SD 4.1Å; E646-M650 HydrophobicContact CG-CG 4.46Å; E646-M650 HydrophobicContact CG-SD 3.93Å
647E85.8Confident93.2Very high132 Ų13265 Ų6562%0.61733%0.33SS*.SBendtrans-66.6134.7-179.8-58-167.4152.900111.6N623 T625 R649N623-E647 WeakPolarHBondContact ND2-CG 3.21Å; N623-E647 PolarHBondContact ND2-OE1 3.2Å; T625-E647 HydrophobicContact CG2-CG 3.45Å; T625-E647 VanDerWaalsContact CG2-CG 3.45Å; E647-R649 PolarHBondContact O-N 3.35Å
648G87.5Confident93.2Very high25 Ų2564.6 Ų64.626%0.25833%0.326SS..SBendtrans75.3-106.5176.500000113.2Q614Q614-G648 PolarHBondContact N-O 3.34Å
649R92.2Very high92.8Very high170 Ų17070.5 Ų70.564%0.64235%0.346SS*.EExtended strand (participates in β ladder)trans-115.6129.2-174.1-169.4-176.4-175.3-170.91109.9E611 L612 E647E611-R649 VanDerWaalsContact CD-NE 3.28Å; E611-R649 HydrophobicContact CG-CG 4.46Å; E611-R649 IonicContact OE1-CZ 3.71Å; E611-R649 IonicContact OE1-NE 3.85Å; E611-R649 PolarHBondContact OE1-NE 3.35Å; E611-R649 IonicContact OE1-NH2 2.79Å; E611-R649 PolarHBondContact OE1-NH2 3.36Å; E611-R649 IonicContact OE2-CZ 3.24Å; E611-R649 IonicContact OE2-NE 3.79Å; E611-R649 IonicContact OE2-NH2 3.6Å; E611-R649 PolarHBondContact OE2-NH2 3.14Å; L612-R649 CarbonylContact O-C 3.5Å; L612-R649 WeakPolarHBondContact O-CA 3.2Å; E647-R649 PolarHBondContact O-N 3.35Å
650M93.6Very high91.8Very high9 Ų969.6 Ų69.64%0.04435%0.347CS..EExtended strand (participates in β ladder)trans-127132.2179.1-178.5177.365.800109.5E611 L612 F643 L645 E646E611-M650 WeakPolarHBondContact CA-O 3.1Å; L612-M650 HydrophobicContact CB-CE 4.41Å; L612-M650 HydrophobicContact CD1-CE 3.67Å; L612-M650 HydrophobicContact CG-CE 4.38Å; L612-M650 PolarHBondContact N-O 2.8Å; L612-M650 PolarHBondContact O-N 2.95Å; F643-M650 HydrophobicContact CD2-CE 3.75Å; F643-M650 HydrophobicContact CD2-SD 4.47Å; F643-M650 HydrophobicContact CE2-CE 3.26Å; F643-M650 HydrophobicContact CE2-SD 4.49Å; F643-M650 HydrophobicContact CZ-CE 4.28Å; L645-M650 HydrophobicContact CD1-CE 3.43Å; L645-M650 VanDerWaalsContact CD1-CE 3.43Å; L645-M650 HydrophobicContact CD1-SD 4.46Å; E646-M650 HydrophobicContact CB-CB 4.3Å; E646-M650 HydrophobicContact CB-CG 4.36Å; E646-M650 HydrophobicContact CB-SD 4.1Å; E646-M650 HydrophobicContact CG-CG 4.46Å; E646-M650 HydrophobicContact CG-SD 3.93Å
651S94.6Very high90.8Very high94 Ų9471 Ų7166%0.65735%0.345SS*.EExtended strand (participates in β ladder)trans-111.9129169.6-169.30000108.3L610L610-S651 CarbonylContact O-C 3.56Å; L610-S651 WeakPolarHBondContact O-CA 3.44Å
652R93.1Very high89.5Confident98 Ų9878.9 Ų78.937%0.3738%0.379SS..EExtended strand (participates in β ladder)trans-138.4130.9-175.7-168.2-178.4-178.4101.91.3110.6L610 F643 L654L610-R652 PolarHBondContact N-O 2.53Å; L610-R652 PolarHBondContact O-N 2.92Å; F643-R652 VanDerWaalsContact CG-CZ 3.43Å; R652-L654 HydrophobicContact CG-CD2 4.17Å
653D96.1Very high88.2Confident63 Ų6379 Ų7934%0.33737%0.373SS..EExtended strand (participates in β ladder)trans-88.9116173.8-60.9-22.3000109.4R605 V607R605-D653 IonicContact CZ-OD2 3.13Å; R605-D653 IonicContact NH1-OD1 2.6Å; R605-D653 IonicContact NH1-OD2 2.78Å; R605-D653 PolarHBondContact NH1-OD2 3.4Å; R605-D653 IonicContact NH2-OD2 2.64Å; R605-D653 PolarHBondContact NH2-OD2 3.39Å; V607-D653 HydrophobicContact CB-CB 4.21Å; V607-D653 HydrophobicContact CG2-CB 4.13Å
654L96.2Very high87.2Confident2 Ų287.9 Ų87.91%0.0141%0.407CS..EExtended strand (participates in β ladder)trans-94.5124174.5-57.4-178.6000108.7V607 V608 L610 V630 L632 H641 F643 R652 C656V607-L654 CarbonylContact C-O 3.51Å; V607-L654 VanDerWaalsContact CA-O 3.25Å; V607-L654 WeakPolarHBondContact CA-O 3.4Å; V607-L654 WeakPolarHBondContact CB-O 3.46Å; V608-L654 HydrophobicContact CB-CB 4.36Å; V608-L654 PolarHBondContact N-O 3.44Å; V608-L654 PolarHBondContact O-N 3.13Å; L610-L654 HydrophobicContact CB-CD1 4.3Å; L610-L654 HydrophobicContact CB-CG 4.48Å; L610-L654 HydrophobicContact CD2-CD1 3.93Å; V630-L654 HydrophobicContact CB-CD1 4.32Å; V630-L654 HydrophobicContact CG1-CD1 3.93Å; L632-L654 HydrophobicContact CD1-CB 3.85Å; L632-L654 HydrophobicContact CD1-CD1 4.01Å; L632-L654 HydrophobicContact CD2-CD1 4.23Å; L632-L654 HydrophobicContact CG-CD1 4.27Å; H641-L654 HydrophobicContact CB-CD1 4.43Å; H641-L654 HydrophobicContact CB-CD2 3.91Å; F643-L654 HydrophobicContact CD1-CD2 4.25Å; F643-L654 HydrophobicContact CE1-CD2 3.91Å; R652-L654 HydrophobicContact CG-CD2 4.17Å; L654-C656 PolarHBondContact O-N 3.43Å
655P95Very high86.6Confident65 Ų6588.3 Ų88.342%0.42241%0.409SS..EExtended strand (participates in β ladder)trans-64.7125.4179.426.2-31.3000109.4H657P655-H657 PolarHBondContact O-CE1 3.11Å; P655-H657 PolarHBondContact O-ND1 3.4Å
656C93.1Very high86.2Confident8 Ų890.1 Ų90.15%0.05442%0.416CS..PPolyproline II helixtrans-87.2124.6171.3-1710000108.3F601 N606 E634 L654 P688F601-C656 HydrophobicContact CE2-CB 3.83Å; N606-C656 PolarHBondContact ND2-O 2.78Å; N606-C656 VanDerWaalsContact O-CB 3.3Å; N606-C656 WeakPolarHBondContact O-CB 3.49Å; N606-C656 PolarHBondContact O-N 2.77Å; E634-C656 WeakPolarHBondContact OE1-CA 3.12Å; E634-C656 PolarHBondContact OE2-SG 3.45Å; E634-C656 VanDerWaalsContact OE2-SG 3.4Å; L654-C656 PolarHBondContact O-N 3.43Å; C656-P688 WeakPolarHBondContact SG-CG 3.3Å
657H91.7Very high86.1Confident100 Ų10089.6 Ų89.646%0.46341%0.412SS..  trans-85.5-28.1-174.8-60.582.9000111.7E634 F639 H641 P655E634-H657 PolarHBondContact OE1-N 3Å; E634-H657 IonicContact OE1-ND1 3.05Å; E634-H657 PolarHBondContact OE2-N 3.36Å; F639-H657 HydrophobicContact CD1-CB 4.14Å; F639-H657 AromaticContact CD1-CE1 3.64Å; F639-H657 AromaticContact CD1-CG 3.59Å; F639-H657 AromaticContact CD1-ND1 3.29Å; F639-H657 VanDerWaalsContact CD1-ND1 3.29Å; F639-H657 WeakPolarHBondContact CD1-ND1 3.18Å; F639-H657 HydrophobicContact CD2-CB 4.26Å; F639-H657 AromaticContact CD2-ND1 3.93Å; F639-H657 HydrophobicContact CE1-CB 3.68Å; F639-H657 AromaticContact CE1-CD2 4Å; F639-H657 AromaticContact CE1-CG 3.52Å; F639-H657 AromaticContact CE1-ND1 3.75Å; F639-H657 HydrophobicContact CE2-CB 3.81Å; F639-H657 HydrophobicContact CG-CB 4.41Å; F639-H657 AromaticContact CG-CE1 3.98Å; F639-H657 AromaticContact CG-ND1 3.39Å; F639-H657 WeakPolarHBondContact CG-ND1 3.1Å; F639-H657 HydrophobicContact CZ-CB 3.5Å; F639-H657 VanDerWaalsContact CZ-CB 3.5Å; F639-H657 AromaticContact CZ-CG 3.89Å; H641-H657 AromaticContact CE1-CE1 3.79Å; P655-H657 PolarHBondContact O-CE1 3.11Å; P655-H657 PolarHBondContact O-ND1 3.4Å
658S90.3Very high86.3Confident0 Ų083.3 Ų83.30%038%0.383CS..SBendtrans-79.4151179.8-55.60000111.2N606 E634 D636N606-S658 PolarHBondContact ND2-O 3.4Å; N606-S658 PolarHBondContact OD1-O 3.33Å; E634-S658 WeakPolarHBondContact CB-OG 3.36Å; E634-S658 WeakPolarHBondContact OE2-CB 2.95Å; E634-S658 PolarHBondContact OE2-N 3.3Å; E634-S658 PolarHBondContact OE2-OG 3.26Å; D636-S658 WeakPolarHBondContact CB-OG 3.22Å; D636-S658 PolarHBondContact N-OG 3.24Å; D636-S658 VanDerWaalsContact OD2-CA 3.3Å; D636-S658 WeakPolarHBondContact OD2-CA 3.21Å; D636-S658 WeakPolarHBondContact OD2-CB 3.45Å; D636-S658 PolarHBondContact OD2-OG 2.98Å
659K84.7Confident86.5Confident152 Ų15284.2 Ų84.266%0.66139%0.385SS*.  trans-105.9138170.4-66.7-175.5-179.5179.90109.7R661K659-R661 PolarHBondContact O-N 3.11Å
660S75.5Confident86.4Confident38 Ų3876.6 Ų76.627%0.26636%0.357SS..  trans-53.6127.7171.860.40000110.4E686S660-E686 WeakPolarHBondContact CB-O 3.42Å
661R72.3Confident85.9Confident146 Ų14679.4 Ų79.455%0.55138%0.381SS*.  trans-134.9141175.4-64.7-166.2-176.3-154.73.2110.6K659 H663K659-R661 PolarHBondContact O-N 3.11Å; R661-H663 VanDerWaalsContact CB-CD2 3.43Å; R661-H663 WeakPolarHBondContact CB-CD2 3.35Å; R661-H663 WeakPolarHBondContact CD-NE2 3.44Å; R661-H663 PolarHBondContact O-N 2.73Å
662K69.4Low85.4Confident193 Ų19379 Ų7984%0.83937%0.372SS*.  trans-78.747.2176.3-65.4-174.1177.2-175.80112.8
663H69.7Low84.9Confident88 Ų8877 Ų7741%0.40738%0.381SS..  trans-90125.2173.7-67.8-63000109.2R661 K665 L680R661-H663 VanDerWaalsContact CB-CD2 3.43Å; R661-H663 WeakPolarHBondContact CB-CD2 3.35Å; R661-H663 WeakPolarHBondContact CD-NE2 3.44Å; R661-H663 PolarHBondContact O-N 2.73Å; H663-K665 VanDerWaalsContact C-N 3.3Å; H663-L680 WeakPolarHBondContact O-CB 3.41Å
664R74.3Confident84.5Confident197 Ų19777.1 Ų77.174%0.74338%0.382SS*.SBendtrans-69.5-31.3173.7-73.3-179.278.6-175.86112L680R664-L680 PolarHBondContact O-N 2.8Å
665K81Confident84.1Confident148 Ų14882.5 Ų82.564%0.64341%0.407SS*.EExtended strand (participates in β ladder)trans-135.7138.9174.8-68.7-173.2176.8-173.40109.9H663 M678H663-K665 VanDerWaalsContact C-N 3.3Å; K665-M678 VanDerWaalsContact CA-O 3.32Å; K665-M678 WeakPolarHBondContact CA-O 3.37Å
666K84.8Confident83.8Confident40 Ų4080.4 Ų80.417%0.17439%0.394CS..EExtended strand (participates in β ladder)trans-146.4143.9176.8-163.9-171.7175.3-164.20109.4L635 D636 I668 M678 L680L635-K666 PolarHBondContact O-NZ 3.03Å; D636-K666 IonicContact OD1-NZ 2.67Å; D636-K666 PolarHBondContact OD1-NZ 3.37Å; K666-I668 HydrophobicContact CB-CG1 4.3Å; K666-I668 HydrophobicContact CD-CG1 4.35Å; K666-I668 HydrophobicContact CG-CG1 4.42Å; K666-M678 PolarHBondContact N-O 3.42Å; K666-M678 PolarHBondContact O-N 3.12Å; K666-L680 HydrophobicContact CB-CD1 3.78Å
667K88.3Confident83.6Confident113 Ų11385.3 Ų85.349%0.49142%0.419SS..EExtended strand (participates in β ladder)trans-80.2123166.8-131.6173.4-174.1-151.90109.1E675 V676 D677K667-E675 HydrophobicContact CD-CB 4.4Å; K667-E675 WeakPolarHBondContact CD-OE2 3.33Å; K667-E675 HydrophobicContact CG-CB 4.18Å; K667-E675 IonicContact NZ-OE2 3.5Å; K667-E675 PolarHBondContact NZ-OE2 3.41Å; K667-V676 WeakPolarHBondContact CA-O 3.44Å; K667-D677 VanDerWaalsContact CG-OD1 3.32Å; K667-D677 WeakPolarHBondContact CG-OD1 3.41Å
668I89.2Confident83.3Confident1 Ų180.6 Ų80.61%0.00540%0.397CS..EExtended strand (participates in β ladder)trans-123.4130-172.7-59.6-179.4000108.5L635 K666 E675 V676 M678 L680 L690L635-I668 HydrophobicContact CD2-CD1 3.7Å; K666-I668 HydrophobicContact CB-CG1 4.3Å; K666-I668 HydrophobicContact CD-CG1 4.35Å; K666-I668 HydrophobicContact CG-CG1 4.42Å; I668-E675 WeakPolarHBondContact O-CA 3.31Å; I668-V676 PolarHBondContact N-O 2.93Å; I668-V676 PolarHBondContact O-N 3.44Å; I668-M678 HydrophobicContact CB-CE 4.32Å; I668-M678 HydrophobicContact CD1-CB 4.03Å; I668-M678 HydrophobicContact CD1-CG 4.14Å; I668-M678 HydrophobicContact CD1-SD 3.83Å; I668-M678 HydrophobicContact CG2-CE 4.42Å; I668-L680 HydrophobicContact CD1-CD2 3.93Å; I668-L690 HydrophobicContact CD1-CD1 3.75Å; I668-L690 HydrophobicContact CG2-CD1 4.1Å
669S91Very high83Confident43 Ų4384.8 Ų84.830%0.30142%0.42SS..EExtended strand (participates in β ladder)trans-79.6127.5174.5-520000110.2Q633 G637 D674Q633-S669 PolarHBondContact NE2-O 3.22Å; G637-S669 WeakPolarHBondContact CA-O 3.47Å; S669-D674 CarbonylContact C-O 3.57Å; S669-D674 WeakPolarHBondContact CA-O 3.47Å
670L89.6Confident82.9Confident10 Ų1078.3 Ų78.35%0.05239%0.392CS..  trans-89.3170.7176.6-61.5178.1000111.2N672 G673 D674 V676 M678 W691 H719 R721L670-N672 WeakPolarHBondContact CB-OD1 3.46Å; L670-N672 PolarHBondContact O-N 3.18Å; L670-N672 VanDerWaalsContact O-N 3.12Å; L670-G673 PolarHBondContact O-N 3.36Å; L670-D674 HydrophobicContact CD1-CB 4.39Å; L670-D674 PolarHBondContact N-O 2.95Å; L670-V676 HydrophobicContact CD1-CB 4.48Å; L670-V676 HydrophobicContact CD1-CG2 3.58Å; L670-V676 HydrophobicContact CG-CG2 4.19Å; L670-M678 HydrophobicContact CD2-CE 3.69Å; L670-W691 HydrophobicContact CD2-CH2 3.94Å; L670-W691 HydrophobicContact CD2-CZ2 4.23Å; L670-H719 WeakPolarHBondContact CD1-O 3.47Å; L670-R721 HydrophobicContact CD1-CG 3.79Å
671A83.9Confident83.2Confident68 Ų6879.4 Ų79.456%0.56240%0.403SS*.THydrogen-bonded Turntrans-56.8-27.9-179.800000114.4A638 G673A638-A671 HydrophobicContact CB-CB 3.61Å; A671-G673 VanDerWaalsContact C-N 3.33Å
672N85Confident83.4Confident86 Ų8680.3 Ų80.346%0.4641%0.407SS..THydrogen-bonded Turntrans-86.7-0.7177.272-22.3000113.8L670 D674 R721L670-N672 WeakPolarHBondContact CB-OD1 3.46Å; L670-N672 PolarHBondContact O-N 3.18Å; L670-N672 VanDerWaalsContact O-N 3.12Å; N672-D674 PolarHBondContact ND2-OD2 3.11Å; N672-D674 WeakPolarHBondContact OD1-CB 3.32Å; N672-D674 PolarHBondContact OD1-N 3.04Å; N672-R721 WeakPolarHBondContact ND2-CB 3.49Å; N672-R721 WeakPolarHBondContact ND2-CG 3.25Å
673G82.7Confident84Confident55 Ų5571.8 Ų71.857%0.56737%0.37SS*.SBendtrans90.5-4.6-176.800000115.1L670 A671L670-G673 PolarHBondContact O-N 3.36Å; A671-G673 VanDerWaalsContact C-N 3.33Å
674D86.1Confident84.5Confident66 Ų6671.5 Ų71.535%0.35337%0.372SS..  trans-67.6134.5176.3-72.4-15.2000110.7S669 L670 N672 R721S669-D674 CarbonylContact C-O 3.57Å; S669-D674 WeakPolarHBondContact CA-O 3.47Å; L670-D674 HydrophobicContact CD1-CB 4.39Å; L670-D674 PolarHBondContact N-O 2.95Å; N672-D674 PolarHBondContact ND2-OD2 3.11Å; N672-D674 WeakPolarHBondContact OD1-CB 3.32Å; N672-D674 PolarHBondContact OD1-N 3.04Å; D674-R721 IonicContact OD2-CZ 2.73Å; D674-R721 IonicContact OD2-NE 3.52Å; D674-R721 PolarHBondContact OD2-NE 3.39Å; D674-R721 IonicContact OD2-NH2 2.59Å
675E88.2Confident84.9Confident115 Ų11565.8 Ų65.854%0.53736%0.36SS..EExtended strand (participates in β ladder)trans-93.3122.8169.1-69.5-171.5167.600110.9K667 I668K667-E675 HydrophobicContact CD-CB 4.4Å; K667-E675 WeakPolarHBondContact CD-OE2 3.33Å; K667-E675 HydrophobicContact CG-CB 4.18Å; K667-E675 IonicContact NZ-OE2 3.5Å; K667-E675 PolarHBondContact NZ-OE2 3.41Å; I668-E675 WeakPolarHBondContact O-CA 3.31Å
676V89.1Confident85Confident22 Ų2263 Ų6313%0.13335%0.35CS..EExtended strand (participates in β ladder)trans-121.4131.7180-175.30000110.3K667 I668 L670 M678K667-V676 WeakPolarHBondContact CA-O 3.44Å; I668-V676 PolarHBondContact N-O 2.93Å; I668-V676 PolarHBondContact O-N 3.44Å; L670-V676 HydrophobicContact CD1-CB 4.48Å; L670-V676 HydrophobicContact CD1-CG2 3.58Å; L670-V676 HydrophobicContact CG-CG2 4.19Å; V676-M678 HydrophobicContact CG1-CG 4.49Å; V676-M678 PolarHBondContact O-N 2.59Å
677D88.2Confident85.2Confident110 Ų11061.8 Ų61.859%0.58835%0.346SS*.EExtended strand (participates in β ladder)trans-73.1114.1169.8-75.4-54.6000109.6K667K667-D677 VanDerWaalsContact CG-OD1 3.32Å; K667-D677 WeakPolarHBondContact CG-OD1 3.41Å
678M87.2Confident85.3Confident1 Ų156.4 Ų56.41%0.00532%0.322CS..EExtended strand (participates in β ladder)trans-107.7140177.6-64.9-165.9-16600111.6K665 K666 I668 L670 V676 L680 L690 W691 L715 H719K665-M678 VanDerWaalsContact CA-O 3.32Å; K665-M678 WeakPolarHBondContact CA-O 3.37Å; K666-M678 PolarHBondContact N-O 3.42Å; K666-M678 PolarHBondContact O-N 3.12Å; I668-M678 HydrophobicContact CB-CE 4.32Å; I668-M678 HydrophobicContact CD1-CB 4.03Å; I668-M678 HydrophobicContact CD1-CG 4.14Å; I668-M678 HydrophobicContact CD1-SD 3.83Å; I668-M678 HydrophobicContact CG2-CE 4.42Å; L670-M678 HydrophobicContact CD2-CE 3.69Å; V676-M678 HydrophobicContact CG1-CG 4.49Å; V676-M678 PolarHBondContact O-N 2.59Å; M678-L680 HydrophobicContact CB-CD2 3.9Å; M678-L690 HydrophobicContact CE-CD1 4.31Å; M678-L690 HydrophobicContact SD-CD1 3.83Å; M678-W691 HydrophobicContact CE-CH2 3.9Å; M678-W691 HydrophobicContact CE-CZ3 4.11Å; M678-W691 HydrophobicContact SD-CZ3 4.39Å; M678-L715 HydrophobicContact SD-CD2 4.48Å; M678-H719 HydrophobicContact CE-CB 3.54Å
679D83.9Confident85.5Confident89 Ų8956.4 Ų56.448%0.47632%0.323SS..EExtended strand (participates in β ladder)trans-85.3113.5167.5-166.3-21.1000109.3A681D679-A681 WeakPolarHBondContact OD1-CB 3.31Å; D679-A681 PolarHBondContact OD1-N 3.18Å
680L82.8Confident85.6Confident16 Ų1654.4 Ų54.48%0.08431%0.308CS..  trans-97.410.2-175.3-48.9175000111.7L635 H663 R664 K666 I668 M678 R682 I683 L690L635-L680 HydrophobicContact CD2-CD1 3.51Å; L635-L680 HydrophobicContact CD2-CD2 3.91Å; L635-L680 HydrophobicContact CD2-CG 4.37Å; H663-L680 WeakPolarHBondContact O-CB 3.41Å; R664-L680 PolarHBondContact O-N 2.8Å; K666-L680 HydrophobicContact CB-CD1 3.78Å; I668-L680 HydrophobicContact CD1-CD2 3.93Å; M678-L680 HydrophobicContact CB-CD2 3.9Å; L680-R682 PolarHBondContact O-N 3.31Å; L680-R682 VanDerWaalsContact O-N 3.14Å; L680-I683 HydrophobicContact CB-CD1 4.19Å; L680-I683 HydrophobicContact CD2-CD1 3.45Å; L680-I683 VanDerWaalsContact CD2-CD1 3.45Å; L680-I683 HydrophobicContact CG-CD1 4.4Å; L680-I683 PolarHBondContact O-N 3.38Å; L680-I683 VanDerWaalsContact O-N 3.16Å; L680-L690 HydrophobicContact CD2-CD2 4.31Å
681A81.5Confident85.9Confident60 Ų6054 Ų5450%0.49631%0.306SS..THydrogen-bonded Turntrans-61.1-23.8-175.100000114.4D679D679-A681 WeakPolarHBondContact OD1-CB 3.31Å; D679-A681 PolarHBondContact OD1-N 3.18Å
682R76.3Confident86.5Confident165 Ų16550.7 Ų50.762%0.62328%0.279SS*.THydrogen-bonded Turntrans-99.4-7.8179.5-63.1-166.6-176.2-177.412114.3L680 E740L680-R682 PolarHBondContact O-N 3.31Å; L680-R682 VanDerWaalsContact O-N 3.14Å; R682-E740 IonicContact CZ-OE2 3.4Å; R682-E740 IonicContact NH1-OE2 2.74Å; R682-E740 PolarHBondContact NH1-OE2 3.37Å; R682-E740 IonicContact NH2-OE2 3.03Å; R682-E740 PolarHBondContact NH2-OE2 3.13Å
683I81.7Confident87Confident15 Ų1547 Ų478%0.07726%0.259CS..SBendtrans-79.6144.3178.1-53.7-175.5000107.7L680 P685 L690 F711 L715L680-I683 HydrophobicContact CB-CD1 4.19Å; L680-I683 HydrophobicContact CD2-CD1 3.45Å; L680-I683 VanDerWaalsContact CD2-CD1 3.45Å; L680-I683 HydrophobicContact CG-CD1 4.4Å; L680-I683 PolarHBondContact O-N 3.38Å; L680-I683 VanDerWaalsContact O-N 3.16Å; I683-P685 VanDerWaalsContact O-CD 3.25Å; I683-P685 WeakPolarHBondContact O-CD 3.34Å; I683-L690 HydrophobicContact CD1-CD2 3.4Å; I683-F711 HydrophobicContact CG1-CD2 4.36Å; I683-F711 HydrophobicContact CG1-CE2 4.36Å; I683-F711 HydrophobicContact CG2-CE2 4.23Å; I683-L715 HydrophobicContact CD1-CD1 3.57Å; I683-L715 HydrophobicContact CG1-CD1 3.94Å
684D81Confident87.7Confident82 Ų8245 Ų4544%0.43924%0.235SC..  trans-53.5114.2168.1177.18.6000109.2E686 S687D684-E686 PolarHBondContact O-N 3.42Å; D684-E686 VanDerWaalsContact OD1-CB 3.31Å; D684-E686 WeakPolarHBondContact OD1-CB 3.45Å; D684-E686 PolarHBondContact OD1-N 3.17Å; D684-S687 PolarHBondContact O-N 3.41Å; D684-S687 VanDerWaalsContact O-O 3.13Å
685P80.8Confident88.1Confident76 Ų7642.1 Ų42.149%0.49422%0.22SC..THydrogen-bonded Turntrans-62.6-12.2-178.726.6-35.3000112.6I683I683-P685 VanDerWaalsContact O-CD 3.25Å; I683-P685 WeakPolarHBondContact O-CD 3.34Å
686E83.3Confident88.4Confident91 Ų9137.4 Ų37.443%0.42520%0.199SC..THydrogen-bonded Turntrans-89.2-13.9176.8-53.5-141.4147.500113.8F601 R603 S660 D684F601-E686 VanDerWaalsContact CE1-O 3.29Å; F601-E686 WeakPolarHBondContact CE1-O 3.47Å; R603-E686 IonicContact CZ-OE1 3.72Å; R603-E686 IonicContact CZ-OE2 3.73Å; R603-E686 IonicContact NH1-OE1 2.68Å; R603-E686 PolarHBondContact NH1-OE1 3.21Å; R603-E686 IonicContact NH1-OE2 2.73Å; R603-E686 PolarHBondContact NH1-OE2 3.04Å; S660-E686 WeakPolarHBondContact CB-O 3.42Å; D684-E686 PolarHBondContact O-N 3.42Å; D684-E686 VanDerWaalsContact OD1-CB 3.31Å; D684-E686 WeakPolarHBondContact OD1-CB 3.45Å; D684-E686 PolarHBondContact OD1-N 3.17Å
687S89.5Confident88.7Confident13 Ų1340.3 Ų40.39%0.09121%0.213CC..  trans-112.7126.8179.5-1780000111.9D684 L689D684-S687 PolarHBondContact O-N 3.41Å; D684-S687 VanDerWaalsContact O-O 3.13Å; S687-L689 VanDerWaalsContact C-N 3.33Å; S687-L689 PolarHBondContact OG-N 3.43Å
688P91.3Very high89.1Confident0 Ų035.5 Ų35.50%019%0.188CC..  trans-87.11.3172.437.7-36.6000113.7F601 E634 L635 C656F601-P688 HydrophobicContact CE1-CG 4.41Å; F601-P688 HydrophobicContact CE2-CG 3.92Å; F601-P688 HydrophobicContact CZ-CG 3.77Å; E634-P688 CarbonylContact C-O 3.59Å; E634-P688 WeakPolarHBondContact CA-O 3.3Å; L635-P688 HydrophobicContact CB-CB 4.46Å; L635-P688 HydrophobicContact CD1-CB 3.86Å; L635-P688 HydrophobicContact CG-CB 4.13Å; L635-P688 WeakPolarHBondContact CG-O 3.47Å; L635-P688 PolarHBondContact N-O 3.34Å; C656-P688 WeakPolarHBondContact SG-CG 3.3Å
689L93.3Very high89.5Confident2 Ų237.1 Ų37.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-83.8130.5-179.9-177.867.4000110.7F599 V608 L632 S687 M712F599-L689 HydrophobicContact CD2-CD2 3.83Å; F599-L689 HydrophobicContact CE2-CD2 3.56Å; F599-L689 HydrophobicContact CZ-CD2 4.48Å; V608-L689 HydrophobicContact CG1-CD2 4.19Å; V608-L689 HydrophobicContact CG2-CD1 4.37Å; V608-L689 HydrophobicContact CG2-CD2 3.94Å; L632-L689 HydrophobicContact CB-CD1 4.06Å; L632-L689 HydrophobicContact CD2-CD1 4.07Å; S687-L689 VanDerWaalsContact C-N 3.33Å; S687-L689 PolarHBondContact OG-N 3.43Å; L689-M712 HydrophobicContact CD2-CE 4.48Å
690L93.4Very high90Very high0 Ų033.2 Ų33.20%018%0.18CC..EExtended strand (participates in β ladder)trans-96.4-52.3178.4-53.4-178.4000112Q633 L635 I668 M678 L680 I683 M712 L715Q633-L690 HydrophobicContact CB-CB 4.48Å; Q633-L690 HydrophobicContact CG-CB 4.23Å; Q633-L690 HydrophobicContact CG-CD1 3.88Å; Q633-L690 HydrophobicContact CG-CG 4.46Å; Q633-L690 WeakPolarHBondContact O-CA 3.49Å; Q633-L690 WeakPolarHBondContact O-CB 3.31Å; Q633-L690 PolarHBondContact O-N 2.62Å; L635-L690 HydrophobicContact CD2-CD2 3.95Å; I668-L690 HydrophobicContact CD1-CD1 3.75Å; I668-L690 HydrophobicContact CG2-CD1 4.1Å; M678-L690 HydrophobicContact CE-CD1 4.31Å; M678-L690 HydrophobicContact SD-CD1 3.83Å; L680-L690 HydrophobicContact CD2-CD2 4.31Å; I683-L690 HydrophobicContact CD1-CD2 3.4Å; L690-M712 WeakPolarHBondContact O-CB 3.37Å; L690-M712 WeakPolarHBondContact O-CG 3.45Å; L690-L715 HydrophobicContact CD2-CD1 4.48Å
691W95.1Very high90.7Very high1 Ų132.4 Ų32.40%0.00418%0.176CC..EExtended strand (participates in β ladder)trans-160.4164.3175.761.386.8000111.2Q633 L670 M678 M712 L715 M716 H719 D720Q633-W691 HydrophobicContact CB-CD2 3.67Å; Q633-W691 HydrophobicContact CB-CE3 4.3Å; Q633-W691 HydrophobicContact CB-CG 4Å; Q633-W691 HydrophobicContact CB-CH2 4.39Å; Q633-W691 HydrophobicContact CB-CZ2 3.79Å; Q633-W691 HydrophobicContact CG-CD2 3.99Å; Q633-W691 HydrophobicContact CG-CE3 4.19Å; Q633-W691 HydrophobicContact CG-CH2 3.68Å; Q633-W691 HydrophobicContact CG-CZ2 3.46Å; Q633-W691 VanDerWaalsContact CG-CZ2 3.46Å; Q633-W691 HydrophobicContact CG-CZ3 4.02Å; Q633-W691 PolarHBondContact N-O 3.42Å; Q633-W691 PolarHBondContact O-N 3.29Å; L670-W691 HydrophobicContact CD2-CH2 3.94Å; L670-W691 HydrophobicContact CD2-CZ2 4.23Å; M678-W691 HydrophobicContact CE-CH2 3.9Å; M678-W691 HydrophobicContact CE-CZ3 4.11Å; M678-W691 HydrophobicContact SD-CZ3 4.39Å; W691-M712 HydrophobicContact CB-CB 4.3Å; W691-L715 HydrophobicContact CE3-CB 3.79Å; W691-L715 HydrophobicContact CZ3-CB 3.86Å; W691-M716 HydrophobicContact CB-CB 4.28Å; W691-M716 HydrophobicContact CB-SD 4.32Å; W691-M716 VanDerWaalsContact CD1-SD 3.57Å; W691-M716 HydrophobicContact CD2-CB 4.03Å; W691-M716 HydrophobicContact CD2-CG 4.12Å; W691-M716 HydrophobicContact CE3-CB 4.44Å; W691-M716 HydrophobicContact CG-CB 3.96Å; W691-M716 HydrophobicContact CG-CG 3.9Å; W691-M716 HydrophobicContact CG-SD 4.02Å; W691-H719 HydrophobicContact CH2-CB 3.92Å; W691-H719 HydrophobicContact CZ3-CB 4.43Å; W691-D720 HydrophobicContact CZ2-CB 4.28Å
692L96.1Very high91.3Very high0 Ų030.4 Ų30.40%016%0.157CC..EExtended strand (participates in β ladder)trans-122138.3177.7-179152.7000109.7F599 L610 V630 M631 L632 I694 V706 Q708F599-L692 HydrophobicContact CB-CD1 4.44Å; F599-L692 HydrophobicContact CD1-CB 4.33Å; F599-L692 HydrophobicContact CD1-CD1 3.77Å; F599-L692 HydrophobicContact CD1-CG 4.46Å; F599-L692 HydrophobicContact CE1-CB 3.8Å; F599-L692 HydrophobicContact CE1-CD1 4.1Å; F599-L692 HydrophobicContact CE1-CD2 4.48Å; F599-L692 HydrophobicContact CE1-CG 4.36Å; F599-L692 HydrophobicContact CG-CD1 4.08Å; F599-L692 HydrophobicContact CZ-CB 4.05Å; L610-L692 HydrophobicContact CD1-CD1 3.97Å; V630-L692 HydrophobicContact CG1-CD1 3.88Å; V630-L692 HydrophobicContact CG1-CD2 4.11Å; V630-L692 HydrophobicContact CG1-CG 3.82Å; M631-L692 WeakPolarHBondContact O-CA 3.5Å; L632-L692 HydrophobicContact CD2-CB 4.16Å; L632-L692 HydrophobicContact CD2-CD1 3.51Å; L632-L692 HydrophobicContact CD2-CG 3.83Å; L692-I694 HydrophobicContact CD2-CD1 4Å; L692-I694 HydrophobicContact CD2-CG1 3.52Å; L692-V706 HydrophobicContact CD2-CG1 4.08Å; L692-Q708 PolarHBondContact O-NE2 3.04Å; L692-Q708 PolarHBondContact O-OE1 3.28Å
693R95.8Very high92.3Very high8 Ų823.8 Ų23.83%0.0313%0.134CC..EExtended strand (participates in β ladder)trans-124.4149.3166.4-55.2-153.5-10.7-138.77.8111.7V630 M631 P696 M716 D720 D722V630-R693 CarbonylContact C-O 3.59Å; V630-R693 WeakPolarHBondContact CA-O 3.38Å; M631-R693 HydrophobicContact CE-CB 4.13Å; M631-R693 HydrophobicContact CE-CG 3.91Å; M631-R693 PolarHBondContact N-O 2.89Å; M631-R693 PolarHBondContact O-N 2.72Å; R693-P696 VanDerWaalsContact NH2-CA 3.26Å; R693-M716 HydrophobicContact CG-SD 3.76Å; R693-D720 WeakPolarHBondContact CD-OD2 3.49Å; R693-D720 IonicContact CZ-OD2 2.68Å; R693-D720 IonicContact NH1-OD1 3.82Å; R693-D720 IonicContact NH1-OD2 2.86Å; R693-D720 PolarHBondContact NH1-OD2 3.39Å; R693-D722 IonicContact CZ-OD2 3.06Å; R693-D722 IonicContact NH1-OD2 2.74Å; R693-D722 PolarHBondContact NH1-OD2 3.48Å; R693-D722 IonicContact NH2-OD2 3.16Å; R693-D722 PolarHBondContact NH2-OD2 3.33Å
694I96.6Very high92.9Very high12 Ų1224.3 Ų24.36%0.06214%0.136CC..EExtended strand (participates in β ladder)trans-119.8137.3176.2-51.3-175.6000108.9A597 L612 I628 V630 L692 I704 V706A597-I694 HydrophobicContact CB-CD1 3.4Å; A597-I694 VanDerWaalsContact CB-CD1 3.4Å; L612-I694 HydrophobicContact CD2-CD1 3.87Å; I628-I694 HydrophobicContact CD1-CG2 3.55Å; I628-I694 HydrophobicContact CG1-CG2 3.83Å; V630-I694 HydrophobicContact CG2-CG1 4.31Å; V630-I694 HydrophobicContact CG2-CG2 4.4Å; L692-I694 HydrophobicContact CD2-CD1 4Å; L692-I694 HydrophobicContact CD2-CG1 3.52Å; I694-I704 HydrophobicContact CB-CD1 4.17Å; I694-I704 HydrophobicContact CB-CG2 4.19Å; I694-I704 HydrophobicContact CD1-CG2 4.14Å; I694-I704 HydrophobicContact CG2-CD1 3.72Å; I694-I704 HydrophobicContact CG2-CG2 4.5Å; I694-V706 HydrophobicContact CD1-CG2 4.21Å; I694-V706 HydrophobicContact CG1-CG2 4.37Å
695D95.9Very high93.6Very high7 Ų724.1 Ų24.14%0.03713%0.133CC..  trans44.860.3-177.5-165.818.2000114.3T629 D697 L698 A699 I700 H702 I704T629-D695 PolarHBondContact O-N 2.9Å; D695-D697 PolarHBondContact O-N 2.86Å; D695-D697 VanDerWaalsContact O-N 3.08Å; D695-L698 PolarHBondContact O-N 3.21Å; D695-L698 VanDerWaalsContact O-N 3.11Å; D695-L698 PolarHBondContact OD1-N 3.44Å; D695-A699 WeakPolarHBondContact OD1-CB 3.48Å; D695-A699 PolarHBondContact OD1-N 3.13Å; D695-A699 PolarHBondContact OD2-N 2.88Å; D695-I700 WeakPolarHBondContact OD2-CG1 3.47Å; D695-I700 PolarHBondContact OD2-N 3.46Å; D695-H702 IonicContact OD2-CD2 3.63Å; D695-H702 PolarHBondContact OD2-CD2 2.94Å; D695-H702 IonicContact OD2-NE2 3.33Å; D695-H702 PolarHBondContact OD2-NE2 2.71Å; D695-I704 HydrophobicContact CB-CD1 4.28Å
696P94.7Very high94.3Very high16 Ų1621.4 Ų21.410%0.10412%0.115CC..THydrogen-bonded Turntrans-56.9-31.2-175.424.8-35.6000113.2R421 R693R421-P696 PolarHBondContact NH2-O 3.45Å; R693-P696 VanDerWaalsContact NH2-CA 3.26Å
697D94.4Very high94.9Very high82 Ų8221.5 Ų21.544%0.43912%0.118SC..THydrogen-bonded Turntrans-91.62.6-175.4-66-37.2000114.6R421 R480 D695 A699R421-D697 IonicContact CZ-OD1 2.57Å; R421-D697 IonicContact NH1-OD1 3.07Å; R421-D697 IonicContact NH2-OD1 3.09Å; R421-D697 PolarHBondContact NH2-OD1 3.3Å; R421-D697 VanDerWaalsContact NH2-OD1 3.15Å; R480-D697 PolarHBondContact NH1-O 3.31Å; R480-D697 PolarHBondContact NH2-O 3.29Å; D695-D697 PolarHBondContact O-N 2.86Å; D695-D697 VanDerWaalsContact O-N 3.08Å; D697-A699 VanDerWaalsContact C-N 3.33Å
698L96Very high95.1Very high9 Ų921 Ų215%0.04712%0.115CC..  trans55.349.8-177.3-52.8178.6000110.7V424 L425 M428 R480 D695 I700 L724V424-L698 HydrophobicContact CB-CD1 4.4Å; V424-L698 HydrophobicContact CG1-CB 4.5Å; V424-L698 HydrophobicContact CG1-CD1 3.87Å; L425-L698 HydrophobicContact CB-CD1 4.03Å; L425-L698 HydrophobicContact CD1-CD1 4.21Å; L425-L698 HydrophobicContact CD1-CD2 4.1Å; M428-L698 HydrophobicContact CE-CB 3.79Å; M428-L698 HydrophobicContact SD-CD2 4.32Å; R480-L698 PolarHBondContact NH1-O 2.9Å; D695-L698 PolarHBondContact O-N 3.21Å; D695-L698 VanDerWaalsContact O-N 3.11Å; D695-L698 PolarHBondContact OD1-N 3.44Å; L698-I700 VanDerWaalsContact C-N 3.35Å; L698-L724 HydrophobicContact CD1-CD1 3.64Å; L698-L724 HydrophobicContact CD2-CD1 4.4Å; L698-L724 HydrophobicContact CG-CD1 3.99Å
699A95.2Very high95.2Very high36 Ų3623.8 Ų23.830%0.29813%0.132SC..  trans-77.3-19.1-176.300000113.5M481 L484 D695 D697M481-A699 WeakPolarHBondContact CG-O 3.5Å; L484-A699 HydrophobicContact CD1-CB 4.08Å; D695-A699 WeakPolarHBondContact OD1-CB 3.48Å; D695-A699 PolarHBondContact OD1-N 3.13Å; D695-A699 PolarHBondContact OD2-N 2.88Å; D697-A699 VanDerWaalsContact C-N 3.33Å
700I95.3Very high95.2Very high6 Ų626.7 Ų26.73%0.03115%0.148CC..SBendtrans-127.4151.9174.366.1178000110.8M428 W586 V593 Y624 D695 L698 H702M428-I700 WeakPolarHBondContact CE-O 3.42Å; W586-I700 HydrophobicContact CH2-CB 4.21Å; W586-I700 HydrophobicContact CZ2-CB 4.21Å; W586-I700 HydrophobicContact CZ2-CG2 4.35Å; V593-I700 HydrophobicContact CB-CD1 4.37Å; V593-I700 HydrophobicContact CG1-CD1 4.35Å; V593-I700 HydrophobicContact CG2-CD1 4.46Å; Y624-I700 HydrophobicContact CD1-CD1 4.33Å; Y624-I700 HydrophobicContact CE1-CD1 4.12Å; Y624-I700 HydrophobicContact CE1-CG2 4.31Å; Y624-I700 HydrophobicContact CE2-CG2 4.14Å; Y624-I700 WeakPolarHBondContact OH-CG2 3.43Å; D695-I700 WeakPolarHBondContact OD2-CG1 3.47Å; D695-I700 PolarHBondContact OD2-N 3.46Å; L698-I700 VanDerWaalsContact C-N 3.35Å; I700-H702 HydrophobicContact CD1-CB 4.36Å; I700-H702 HydrophobicContact CG1-CB 4.04Å; I700-H702 PolarHBondContact O-CD2 3.02Å; I700-H702 PolarHBondContact O-N 3.09Å
701I97Very high95.1Very high0 Ų028.9 Ų28.90%016%0.158CC..  trans-76.3110.2173.4-58.4168.5000107.7M428 V431 T432 K474 L477 V478 M481 W586 H592 V593M428-I701 HydrophobicContact CG-CG2 4.31Å; V431-I701 HydrophobicContact CG1-CG2 4Å; T432-I701 HydrophobicContact CG2-CG2 4.09Å; K474-I701 HydrophobicContact CG-CD1 4.1Å; L477-I701 HydrophobicContact CB-CD1 4.02Å; L477-I701 HydrophobicContact CB-CG1 4.17Å; L477-I701 HydrophobicContact CD1-CD1 4.31Å; L477-I701 HydrophobicContact CD1-CG1 4.21Å; V478-I701 HydrophobicContact CG2-CD1 4.18Å; M481-I701 HydrophobicContact SD-CD1 3.93Å; M481-I701 HydrophobicContact SD-CG1 3.66Å; W586-I701 HydrophobicContact CE3-CD1 4.19Å; W586-I701 HydrophobicContact CH2-CB 4.38Å; W586-I701 HydrophobicContact CZ3-CB 3.81Å; W586-I701 HydrophobicContact CZ3-CD1 4.33Å; W586-I701 HydrophobicContact CZ3-CG1 4.3Å; H592-I701 HydrophobicContact CB-CG2 3.84Å; V593-I701 PolarHBondContact N-O 2.92Å
702H95.6Very high95.1Very high17 Ų1729.4 Ų29.48%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-145159.8-17066.460.9000115.3V593 D695 I700 I704V593-H702 HydrophobicContact CB-CB 4.21Å; V593-H702 CarbonylContact O-C 3.57Å; V593-H702 WeakPolarHBondContact O-CA 3.4Å; V593-H702 WeakPolarHBondContact O-CB 3.35Å; D695-H702 IonicContact OD2-CD2 3.63Å; D695-H702 PolarHBondContact OD2-CD2 2.94Å; D695-H702 IonicContact OD2-NE2 3.33Å; D695-H702 PolarHBondContact OD2-NE2 2.71Å; I700-H702 HydrophobicContact CD1-CB 4.36Å; I700-H702 HydrophobicContact CG1-CB 4.04Å; I700-H702 PolarHBondContact O-CD2 3.02Å; I700-H702 PolarHBondContact O-N 3.09Å; H702-I704 HydrophobicContact CB-CD1 4.18Å; H702-I704 HydrophobicContact CB-CG1 3.97Å; H702-I704 WeakPolarHBondContact ND1-CD1 3.33Å; H702-I704 WeakPolarHBondContact ND1-CG1 3.49Å
703D95.2Very high95.1Very high26 Ų2629.8 Ų29.814%0.13916%0.161CC..EExtended strand (participates in β ladder)trans-121.3105.6162.3176.234.2000108V593 R594 I595 H705V593-D703 PolarHBondContact O-N 2.79Å; R594-D703 VanDerWaalsContact CA-O 3.3Å; R594-D703 WeakPolarHBondContact CA-O 3.42Å; R594-D703 HydrophobicContact CG-CB 4.23Å; R594-D703 IonicContact CZ-OD2 3.53Å; R594-D703 IonicContact NE-OD2 3.12Å; R594-D703 PolarHBondContact NE-OD2 3.15Å; R594-D703 IonicContact NH2-OD2 2.82Å; R594-D703 PolarHBondContact NH2-OD2 2.98Å; I595-D703 PolarHBondContact N-O 3.22Å; D703-H705 IonicContact OD1-CD2 2.71Å; D703-H705 IonicContact OD1-CE1 3.42Å; D703-H705 IonicContact OD1-NE2 3.67Å; D703-H705 PolarHBondContact OD1-NE2 2.67Å; D703-H705 IonicContact OD2-CD2 3.78Å; D703-H705 IonicContact OD2-NE2 3.22Å; D703-H705 PolarHBondContact OD2-NE2 3.42Å
704I95.4Very high95.1Very high27 Ų2730.1 Ų30.114%0.13816%0.163CC..EExtended strand (participates in β ladder)trans-113.1127.3-174.3-60.6174.6000109.5I595 I694 D695 H702 V706I595-I704 HydrophobicContact CB-CG1 4.28Å; I595-I704 HydrophobicContact CD1-CG1 4.47Å; I595-I704 WeakPolarHBondContact O-CA 3.03Å; I694-I704 HydrophobicContact CB-CD1 4.17Å; I694-I704 HydrophobicContact CB-CG2 4.19Å; I694-I704 HydrophobicContact CD1-CG2 4.14Å; I694-I704 HydrophobicContact CG2-CD1 3.72Å; I694-I704 HydrophobicContact CG2-CG2 4.5Å; D695-I704 HydrophobicContact CB-CD1 4.28Å; H702-I704 HydrophobicContact CB-CD1 4.18Å; H702-I704 HydrophobicContact CB-CG1 3.97Å; H702-I704 WeakPolarHBondContact ND1-CD1 3.33Å; H702-I704 WeakPolarHBondContact ND1-CG1 3.49Å; I704-V706 HydrophobicContact CG2-CG2 3.95Å
705H95.3Very high94.9Very high77 Ų7730.4 Ų30.436%0.35617%0.165SC..EExtended strand (participates in β ladder)trans-113117.2176.1-65.7-84.5000109.2I595 F596 A597 D703I595-H705 PolarHBondContact O-N 3.16Å; F596-H705 WeakPolarHBondContact CA-O 3.4Å; F596-H705 HydrophobicContact CD1-CB 3.67Å; F596-H705 HydrophobicContact CE1-CB 3.88Å; F596-H705 AromaticContact CE1-CD2 3.89Å; F596-H705 AromaticContact CE1-CG 3.86Å; A597-H705 PolarHBondContact N-O 3.13Å; D703-H705 IonicContact OD1-CD2 2.71Å; D703-H705 IonicContact OD1-CE1 3.42Å; D703-H705 IonicContact OD1-NE2 3.67Å; D703-H705 PolarHBondContact OD1-NE2 2.67Å; D703-H705 IonicContact OD2-CD2 3.78Å; D703-H705 IonicContact OD2-NE2 3.22Å; D703-H705 PolarHBondContact OD2-NE2 3.42Å
706V96.1Very high94.9Very high19 Ų1930.1 Ų30.112%0.11516%0.163CC..EExtended strand (participates in β ladder)trans-107.9122.9179.8-166.50000110.2A597 F599 L692 I694 I704 Q708 W713A597-V706 HydrophobicContact CB-CG1 4.34Å; A597-V706 HydrophobicContact CB-CG2 4.42Å; F599-V706 HydrophobicContact CE1-CG1 4.15Å; L692-V706 HydrophobicContact CD2-CG1 4.08Å; I694-V706 HydrophobicContact CD1-CG2 4.21Å; I694-V706 HydrophobicContact CG1-CG2 4.37Å; I704-V706 HydrophobicContact CG2-CG2 3.95Å; V706-Q708 HydrophobicContact CB-CG 4.21Å; V706-Q708 HydrophobicContact CG1-CG 3.45Å; V706-Q708 VanDerWaalsContact CG1-CG 3.45Å; V706-Q708 PolarHBondContact O-N 2.81Å; V706-W713 HydrophobicContact CB-CH2 4.4Å
707D95.5Very high94.9Very high93 Ų9329.3 Ų29.350%0.49716%0.158SC..EExtended strand (participates in β ladder)trans-84.499.3173.7-167.92.3000109.1A597 K598A597-D707 PolarHBondContact O-N 3.22Å; K598-D707 VanDerWaalsContact CE-OD2 3.31Å; K598-D707 WeakPolarHBondContact CE-OD2 3.34Å; K598-D707 HydrophobicContact CG-CB 3.99Å; K598-D707 IonicContact NZ-OD2 2.66Å; K598-D707 PolarHBondContact NZ-OD2 3.37Å
708Q93.5Very high94.9Very high4 Ų427.1 Ų27.12%0.01915%0.152CC..  trans-125144.3177.5-47.1-162.891.200111.5F599 L692 V706 M712 W713F599-Q708 HydrophobicContact CE1-CG 3.67Å; F599-Q708 HydrophobicContact CZ-CB 4.34Å; F599-Q708 HydrophobicContact CZ-CG 3.89Å; L692-Q708 PolarHBondContact O-NE2 3.04Å; L692-Q708 PolarHBondContact O-OE1 3.28Å; V706-Q708 HydrophobicContact CB-CG 4.21Å; V706-Q708 HydrophobicContact CG1-CG 3.45Å; V706-Q708 VanDerWaalsContact CG1-CG 3.45Å; V706-Q708 PolarHBondContact O-N 2.81Å; Q708-M712 HydrophobicContact CB-CB 4.42Å; Q708-W713 HydrophobicContact CB-CD2 4.38Å; Q708-W713 HydrophobicContact CB-CZ2 3.78Å; Q708-W713 HydrophobicContact CG-CH2 4.16Å; Q708-W713 HydrophobicContact CG-CZ2 3.66Å; Q708-W713 PolarHBondContact O-NE1 2.97Å; Q708-W713 VanDerWaalsContact O-NE1 3.09Å
709P93.2Very high94.7Very high57 Ų5728.4 Ų28.437%0.3716%0.157SC..  trans-57.3148.9169-23.333.1000112.9F711 M712 W713P709-F711 VanDerWaalsContact C-N 3.34Å; P709-F711 HydrophobicContact CB-CD1 3.59Å; P709-F711 HydrophobicContact CB-CE1 3.43Å; P709-F711 VanDerWaalsContact CB-CE1 3.43Å; P709-F711 HydrophobicContact CB-CZ 4.38Å; P709-F711 HydrophobicContact CG-CE1 3.91Å; P709-F711 PolarHBondContact O-N 2.87Å; P709-M712 HydrophobicContact CB-CG 4.4Å; P709-M712 HydrophobicContact CG-CG 4.48Å; P709-M712 HydrophobicContact CG-SD 4.38Å; P709-M712 WeakPolarHBondContact O-CB 3.38Å; P709-M712 PolarHBondContact O-N 2.95Å; P709-W713 PolarHBondContact O-N 3.08Å
710D93.8Very high94.6Very high63 Ų6327.2 Ų27.234%0.33715%0.146SC..Hα-helixtrans-53.2-44.4179.865.3-30.5000113.6M712 W713 H714 F736D710-M712 PolarHBondContact O-N 3.38Å; D710-W713 WeakPolarHBondContact O-CA 3.27Å; D710-W713 WeakPolarHBondContact O-CB 3.4Å; D710-W713 PolarHBondContact O-N 3.32Å; D710-H714 PolarHBondContact O-N 3.45Å; D710-H714 PolarHBondContact O-ND1 3.21Å; D710-H714 IonicContact OD2-CE1 2.73Å; D710-F736 HydrophobicContact CB-CB 3.98Å; D710-F736 HydrophobicContact CB-CD1 3.79Å; D710-F736 HydrophobicContact CB-CD2 4.39Å; D710-F736 HydrophobicContact CB-CE1 4.36Å; D710-F736 HydrophobicContact CB-CG 3.79Å
711F91.8Very high94.4Very high47 Ų4732.4 Ų32.421%0.20617%0.165CC..Hα-helixtrans-60.3-29.9179.678.9-92.7000113.2I683 P709 H714 L715I683-F711 HydrophobicContact CG1-CD2 4.36Å; I683-F711 HydrophobicContact CG1-CE2 4.36Å; I683-F711 HydrophobicContact CG2-CE2 4.23Å; P709-F711 VanDerWaalsContact C-N 3.34Å; P709-F711 HydrophobicContact CB-CD1 3.59Å; P709-F711 HydrophobicContact CB-CE1 3.43Å; P709-F711 VanDerWaalsContact CB-CE1 3.43Å; P709-F711 HydrophobicContact CB-CZ 4.38Å; P709-F711 HydrophobicContact CG-CE1 3.91Å; P709-F711 PolarHBondContact O-N 2.87Å; F711-H714 WeakPolarHBondContact CA-ND1 3.4Å; F711-H714 PolarHBondContact O-N 3.41Å; F711-L715 HydrophobicContact CD2-CD1 4.15Å; F711-L715 VanDerWaalsContact O-CG 3.3Å; F711-L715 WeakPolarHBondContact O-CG 3.49Å; F711-L715 PolarHBondContact O-N 2.68Å; F711-L715 VanDerWaalsContact O-N 3.09Å
712M94.7Very high94.3Very high12 Ų1233.4 Ų33.46%0.05917%0.171CC..Hα-helixtrans-70.9-40.5176.1-60.9-165.6167.700110.5F599 L689 L690 W691 Q708 P709 D710 L715 M716F599-M712 HydrophobicContact CE2-CE 4.16Å; F599-M712 HydrophobicContact CE2-SD 3.93Å; F599-M712 HydrophobicContact CZ-SD 3.76Å; L689-M712 HydrophobicContact CD2-CE 4.48Å; L690-M712 WeakPolarHBondContact O-CB 3.37Å; L690-M712 WeakPolarHBondContact O-CG 3.45Å; W691-M712 HydrophobicContact CB-CB 4.3Å; Q708-M712 HydrophobicContact CB-CB 4.42Å; P709-M712 HydrophobicContact CB-CG 4.4Å; P709-M712 HydrophobicContact CG-CG 4.48Å; P709-M712 HydrophobicContact CG-SD 4.38Å; P709-M712 WeakPolarHBondContact O-CB 3.38Å; P709-M712 PolarHBondContact O-N 2.95Å; D710-M712 PolarHBondContact O-N 3.38Å; M712-L715 PolarHBondContact O-N 3.48Å; M712-M716 WeakPolarHBondContact O-CB 3.47Å; M712-M716 PolarHBondContact O-N 3.16Å
713W96Very high94.3Very high7 Ų732.7 Ų32.73%0.02717%0.167CC..Hα-helixtrans-64.2-38.9173.1-62.2121.7000112.3V706 Q708 P709 D710 M716 L717 E728 A729 A732 L733 F736V706-W713 HydrophobicContact CB-CH2 4.4Å; Q708-W713 HydrophobicContact CB-CD2 4.38Å; Q708-W713 HydrophobicContact CB-CZ2 3.78Å; Q708-W713 HydrophobicContact CG-CH2 4.16Å; Q708-W713 HydrophobicContact CG-CZ2 3.66Å; Q708-W713 PolarHBondContact O-NE1 2.97Å; Q708-W713 VanDerWaalsContact O-NE1 3.09Å; P709-W713 PolarHBondContact O-N 3.08Å; D710-W713 WeakPolarHBondContact O-CA 3.27Å; D710-W713 WeakPolarHBondContact O-CB 3.4Å; D710-W713 PolarHBondContact O-N 3.32Å; W713-M716 HydrophobicContact CE3-CE 3.64Å; W713-M716 HydrophobicContact CE3-SD 4.45Å; W713-M716 HydrophobicContact CZ3-CE 3.39Å; W713-M716 HydrophobicContact CZ3-SD 4.29Å; W713-M716 PolarHBondContact O-N 3.16Å; W713-L717 VanDerWaalsContact O-CB 3.31Å; W713-L717 WeakPolarHBondContact O-CB 3.43Å; W713-L717 PolarHBondContact O-N 3.01Å; W713-E728 HydrophobicContact CH2-CG 4.21Å; W713-E728 HydrophobicContact CZ3-CG 4.01Å; W713-A729 HydrophobicContact CE3-CB 4.07Å; W713-A732 HydrophobicContact CD2-CB 3.78Å; W713-A732 HydrophobicContact CE3-CB 4.14Å; W713-A732 HydrophobicContact CG-CB 4.19Å; W713-A732 HydrophobicContact CH2-CB 4.28Å; W713-A732 HydrophobicContact CZ2-CB 3.96Å; W713-A732 HydrophobicContact CZ3-CB 4.36Å; W713-L733 HydrophobicContact CB-CD1 4.45Å; W713-L733 HydrophobicContact CB-CD2 3.75Å; W713-L733 HydrophobicContact CB-CG 3.88Å; W713-F736 AromaticContact CD1-CE2 3.94Å
714H95.2Very high94.3Very high15 Ų1532 Ų327%0.06916%0.163CC..Hα-helixtrans-59.8-46.8173.8-62.6123.9000111.7D710 F711 A718 T741 V744D710-H714 PolarHBondContact O-N 3.45Å; D710-H714 PolarHBondContact O-ND1 3.21Å; D710-H714 IonicContact OD2-CE1 2.73Å; F711-H714 WeakPolarHBondContact CA-ND1 3.4Å; F711-H714 PolarHBondContact O-N 3.41Å; H714-A718 WeakPolarHBondContact O-CB 3.43Å; H714-A718 PolarHBondContact O-N 3.3Å; H714-T741 PolarHBondContact NE2-OG1 3.45Å; H714-V744 HydrophobicContact CB-CG2 4.31Å
715L93.4Very high94.4Very high19 Ų1930.7 Ų30.710%0.09916%0.157CC..Hα-helixtrans-63.9-45.4177.8-71.4169.2000111.5M678 I683 L690 W691 F711 M712 L717 A718 H719M678-L715 HydrophobicContact SD-CD2 4.48Å; I683-L715 HydrophobicContact CD1-CD1 3.57Å; I683-L715 HydrophobicContact CG1-CD1 3.94Å; L690-L715 HydrophobicContact CD2-CD1 4.48Å; W691-L715 HydrophobicContact CE3-CB 3.79Å; W691-L715 HydrophobicContact CZ3-CB 3.86Å; F711-L715 HydrophobicContact CD2-CD1 4.15Å; F711-L715 VanDerWaalsContact O-CG 3.3Å; F711-L715 WeakPolarHBondContact O-CG 3.49Å; F711-L715 PolarHBondContact O-N 2.68Å; F711-L715 VanDerWaalsContact O-N 3.09Å; M712-L715 PolarHBondContact O-N 3.48Å; L715-L717 PolarHBondContact O-N 3.31Å; L715-A718 PolarHBondContact O-N 3Å; L715-H719 WeakPolarHBondContact O-CB 3.46Å; L715-H719 PolarHBondContact O-CD2 3.29Å; L715-H719 PolarHBondContact O-N 3.33Å
716M95.1Very high94.4Very high0 Ų027.5 Ų27.50%014%0.142CC..Hα-helixtrans-62.5-44.2179.9-162.6171.288.300111W691 R693 M712 W713 D720 G725 E728 A729W691-M716 HydrophobicContact CB-CB 4.28Å; W691-M716 HydrophobicContact CB-SD 4.32Å; W691-M716 VanDerWaalsContact CD1-SD 3.57Å; W691-M716 HydrophobicContact CD2-CB 4.03Å; W691-M716 HydrophobicContact CD2-CG 4.12Å; W691-M716 HydrophobicContact CE3-CB 4.44Å; W691-M716 HydrophobicContact CG-CB 3.96Å; W691-M716 HydrophobicContact CG-CG 3.9Å; W691-M716 HydrophobicContact CG-SD 4.02Å; R693-M716 HydrophobicContact CG-SD 3.76Å; M712-M716 WeakPolarHBondContact O-CB 3.47Å; M712-M716 PolarHBondContact O-N 3.16Å; W713-M716 HydrophobicContact CE3-CE 3.64Å; W713-M716 HydrophobicContact CE3-SD 4.45Å; W713-M716 HydrophobicContact CZ3-CE 3.39Å; W713-M716 HydrophobicContact CZ3-SD 4.29Å; W713-M716 PolarHBondContact O-N 3.16Å; M716-D720 HydrophobicContact CG-CB 3.91Å; M716-D720 WeakPolarHBondContact O-CA 3.39Å; M716-D720 WeakPolarHBondContact O-CB 3.34Å; M716-D720 PolarHBondContact O-N 3.38Å; M716-G725 WeakPolarHBondContact CE-O 3.45Å; M716-E728 HydrophobicContact CE-CB 4.31Å; M716-A729 HydrophobicContact CB-CB 4.39Å; M716-A729 HydrophobicContact CE-CB 3.76Å
717L96.2Very high94.5Very high0 Ų027.5 Ų27.50%014%0.141CC..Hα-helixtrans-62.6-44.6175.7178.652.8000112.4W713 L715 Q726 A729 V730 L733 V744 L745 I748 V758W713-L717 VanDerWaalsContact O-CB 3.31Å; W713-L717 WeakPolarHBondContact O-CB 3.43Å; W713-L717 PolarHBondContact O-N 3.01Å; L715-L717 PolarHBondContact O-N 3.31Å; L717-Q726 HydrophobicContact CD1-CB 4.25Å; L717-A729 HydrophobicContact CB-CB 3.79Å; L717-V730 HydrophobicContact CD1-CG2 3.43Å; L717-V730 VanDerWaalsContact CD1-CG2 3.43Å; L717-V730 HydrophobicContact CD2-CG2 3.93Å; L717-V730 HydrophobicContact CG-CG2 4.34Å; L717-L733 HydrophobicContact CB-CD1 4.34Å; L717-L733 HydrophobicContact CD2-CD1 3.57Å; L717-V744 HydrophobicContact CB-CG1 4.35Å; L717-V744 HydrophobicContact CD2-CG1 3.86Å; L717-V744 HydrophobicContact CG-CG1 4.05Å; L717-L745 HydrophobicContact CD2-CD2 3.77Å; L717-L745 HydrophobicContact CD2-CG 4.43Å; L717-I748 HydrophobicContact CD1-CD1 3.94Å; L717-I748 HydrophobicContact CD1-CG1 3.89Å; L717-I748 HydrophobicContact CD1-CG2 4.34Å; L717-I748 HydrophobicContact CD2-CG1 4.09Å; L717-I748 HydrophobicContact CG-CD1 3.92Å; L717-I748 HydrophobicContact CG-CG1 3.72Å; L717-I748 VanDerWaalsContact O-CD1 3.27Å; L717-I748 WeakPolarHBondContact O-CD1 3.47Å; L717-V758 HydrophobicContact CD1-CG1 4.3Å
718A93.5Very high94.5Very high36 Ų3626 Ų2630%0.29813%0.131SC..Hα-helixtrans-71.5-31.5-176.500000113.6H714 L715 V744H714-A718 WeakPolarHBondContact O-CB 3.43Å; H714-A718 PolarHBondContact O-N 3.3Å; L715-A718 PolarHBondContact O-N 3Å; A718-V744 HydrophobicContact CB-CG1 4.45Å
719H92.6Very high94.7Very high36 Ų3625.8 Ų25.817%0.16713%0.13CC..Hα-helixtrans-124.8-25.6-164.9-58.8-52.5000115.3L670 M678 W691 L715 R721L670-H719 WeakPolarHBondContact CD1-O 3.47Å; M678-H719 HydrophobicContact CE-CB 3.54Å; W691-H719 HydrophobicContact CH2-CB 3.92Å; W691-H719 HydrophobicContact CZ3-CB 4.43Å; L715-H719 WeakPolarHBondContact O-CB 3.46Å; L715-H719 PolarHBondContact O-CD2 3.29Å; L715-H719 PolarHBondContact O-N 3.33Å; H719-R721 PolarHBondContact O-N 2.97Å
720D92.8Very high94.9Very high10 Ų1023 Ų235%0.05311%0.112CC..  trans-59.8140.7176.4-163.9-7000109.7W691 R693 M716 D722 Q726W691-D720 HydrophobicContact CZ2-CB 4.28Å; R693-D720 WeakPolarHBondContact CD-OD2 3.49Å; R693-D720 IonicContact CZ-OD2 2.68Å; R693-D720 IonicContact NH1-OD1 3.82Å; R693-D720 IonicContact NH1-OD2 2.86Å; R693-D720 PolarHBondContact NH1-OD2 3.39Å; M716-D720 HydrophobicContact CG-CB 3.91Å; M716-D720 WeakPolarHBondContact O-CA 3.39Å; M716-D720 WeakPolarHBondContact O-CB 3.34Å; M716-D720 PolarHBondContact O-N 3.38Å; D720-D722 PolarHBondContact OD1-N 3.15Å; D720-Q726 HydrophobicContact CB-CG 4.48Å; D720-Q726 PolarHBondContact O-NE2 3.02Å
721R91.5Very high95Very high115 Ų11524.3 Ų24.343%0.43412%0.119SC..  trans-101-8-178.6-66.8-71.5-167.2-124.4-5.3112L670 N672 D674 H719L670-R721 HydrophobicContact CD1-CG 3.79Å; N672-R721 WeakPolarHBondContact ND2-CB 3.49Å; N672-R721 WeakPolarHBondContact ND2-CG 3.25Å; D674-R721 IonicContact OD2-CZ 2.73Å; D674-R721 IonicContact OD2-NE 3.52Å; D674-R721 PolarHBondContact OD2-NE 3.39Å; D674-R721 IonicContact OD2-NH2 2.59Å; H719-R721 PolarHBondContact O-N 2.97Å
722D94.2Very high95.2Very high22 Ų2223 Ų2312%0.11812%0.117CC..  trans-84.1125.1169.5-166-22.9000111R421 R693 D720 L724 G725 Q726R421-D722 IonicContact CZ-OD1 3.9Å; R421-D722 IonicContact CZ-OD2 3.98Å; R421-D722 IonicContact NE-OD1 3.98Å; R421-D722 IonicContact NH1-OD2 2.71Å; R421-D722 IonicContact NH2-OD2 3.07Å; R693-D722 IonicContact CZ-OD2 3.06Å; R693-D722 IonicContact NH1-OD2 2.74Å; R693-D722 PolarHBondContact NH1-OD2 3.48Å; R693-D722 IonicContact NH2-OD2 3.16Å; R693-D722 PolarHBondContact NH2-OD2 3.33Å; D720-D722 PolarHBondContact OD1-N 3.15Å; D722-L724 PolarHBondContact O-N 2.63Å; D722-L724 PolarHBondContact OD1-N 3.14Å; D722-G725 PolarHBondContact O-N 3.34Å; D722-Q726 WeakPolarHBondContact O-CG 3.26Å; D722-Q726 PolarHBondContact O-N 3.14Å; D722-Q726 VanDerWaalsContact O-N 3.08Å
723C95.3Very high95.3Very high1 Ų122.4 Ų22.41%0.00711%0.114CC..Hα-helixtrans-59.7-31.4177.262.60000113.5N418 L727 F755N418-C723 HydrophobicContact CB-CB 4.15Å; C723-L727 WeakPolarHBondContact O-CG 3.32Å; C723-L727 PolarHBondContact O-N 3.28Å; C723-F755 HydrophobicContact CB-CB 4.12Å; C723-F755 HydrophobicContact CB-CD1 3.74Å; C723-F755 HydrophobicContact CB-CE1 4.49Å; C723-F755 HydrophobicContact CB-CG 4.19Å
724L96.3Very high95.2Very high12 Ų1224.5 Ų24.56%0.06312%0.123CC..Hα-helixtrans-75.2-40.7-178.8-59.3-168.7000111.4R421 L425 L698 D722 Q726 L727 E728R421-L724 HydrophobicContact CB-CD1 4.11Å; R421-L724 HydrophobicContact CB-CD2 4.12Å; R421-L724 HydrophobicContact CB-CG 4.17Å; L425-L724 HydrophobicContact CB-CD2 4.32Å; L425-L724 HydrophobicContact CD2-CD2 3.93Å; L698-L724 HydrophobicContact CD1-CD1 3.64Å; L698-L724 HydrophobicContact CD2-CD1 4.4Å; L698-L724 HydrophobicContact CG-CD1 3.99Å; D722-L724 PolarHBondContact O-N 2.63Å; D722-L724 PolarHBondContact OD1-N 3.14Å; L724-Q726 VanDerWaalsContact C-N 3.33Å; L724-Q726 PolarHBondContact O-N 3.29Å; L724-L727 HydrophobicContact CD2-CD1 4.34Å; L724-L727 PolarHBondContact O-N 2.98Å; L724-E728 WeakPolarHBondContact O-CB 3.2Å; L724-E728 PolarHBondContact O-N 3.46Å
725G95.7Very high95.1Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-59.2-47.1171.700000110.5M716 D722 L727 E728 A729M716-G725 WeakPolarHBondContact CE-O 3.45Å; D722-G725 PolarHBondContact O-N 3.34Å; G725-L727 VanDerWaalsContact C-N 3.34Å; G725-L727 PolarHBondContact O-N 3.4Å; G725-E728 WeakPolarHBondContact O-CB 3.45Å; G725-E728 PolarHBondContact O-N 2.9Å; G725-A729 PolarHBondContact O-N 3.29Å
726Q97.1Very high95.1Very high10 Ų1033 Ų335%0.04717%0.166CC..Hα-helixtrans-58.5-42.9175.3-68.5178.9-19.900112.9L717 D720 D722 L724 A729 V730 V758L717-Q726 HydrophobicContact CD1-CB 4.25Å; D720-Q726 HydrophobicContact CB-CG 4.48Å; D720-Q726 PolarHBondContact O-NE2 3.02Å; D722-Q726 WeakPolarHBondContact O-CG 3.26Å; D722-Q726 PolarHBondContact O-N 3.14Å; D722-Q726 VanDerWaalsContact O-N 3.08Å; L724-Q726 VanDerWaalsContact C-N 3.33Å; L724-Q726 PolarHBondContact O-N 3.29Å; Q726-A729 PolarHBondContact O-N 3.18Å; Q726-V730 VanDerWaalsContact O-CG2 3.31Å; Q726-V730 WeakPolarHBondContact O-CG2 3.11Å; Q726-V730 PolarHBondContact O-N 3.48Å; Q726-V758 HydrophobicContact CB-CB 4.5Å; Q726-V758 HydrophobicContact CB-CG1 3.81Å; Q726-V758 HydrophobicContact CB-CG2 3.8Å
727L97.2Very high95Very high18 Ų1834.8 Ų34.89%0.09418%0.181CC..Hα-helixtrans-63.1-42.7176.2-78.3168.4000112.4K422 C723 L724 G725 A729 V730 N731 V758 E761K422-L727 HydrophobicContact CD-CD1 3.71Å; C723-L727 WeakPolarHBondContact O-CG 3.32Å; C723-L727 PolarHBondContact O-N 3.28Å; L724-L727 HydrophobicContact CD2-CD1 4.34Å; L724-L727 PolarHBondContact O-N 2.98Å; G725-L727 VanDerWaalsContact C-N 3.34Å; G725-L727 PolarHBondContact O-N 3.4Å; L727-A729 VanDerWaalsContact C-N 3.35Å; L727-V730 PolarHBondContact O-N 2.77Å; L727-N731 WeakPolarHBondContact O-CB 3.47Å; L727-N731 PolarHBondContact O-N 3.06Å; L727-V758 HydrophobicContact CD2-CG2 4.1Å; L727-V758 HydrophobicContact CG-CG2 3.82Å; L727-E761 HydrophobicContact CD2-CB 4.08Å; L727-E761 HydrophobicContact CD2-CG 4.49Å
728E96.1Very high94.8Very high61 Ų6136 Ų3629%0.28519%0.189SC..Hα-helixtrans-58.8-47.5174.9-173.8-175.4178.200110.6W713 M716 L724 G725 V730 N731 A732W713-E728 HydrophobicContact CH2-CG 4.21Å; W713-E728 HydrophobicContact CZ3-CG 4.01Å; M716-E728 HydrophobicContact CE-CB 4.31Å; L724-E728 WeakPolarHBondContact O-CB 3.2Å; L724-E728 PolarHBondContact O-N 3.46Å; G725-E728 WeakPolarHBondContact O-CB 3.45Å; G725-E728 PolarHBondContact O-N 2.9Å; E728-V730 PolarHBondContact O-N 3.08Å; E728-N731 PolarHBondContact O-N 3.18Å; E728-A732 WeakPolarHBondContact O-CB 3.37Å; E728-A732 PolarHBondContact O-N 3.48Å
729A97.5Very high94.6Very high0 Ų039.1 Ų39.10%021%0.207CC..Hα-helixtrans-61.7-44176.800000112.3W713 M716 L717 G725 Q726 L727 N731 A732 L733W713-A729 HydrophobicContact CE3-CB 4.07Å; M716-A729 HydrophobicContact CB-CB 4.39Å; M716-A729 HydrophobicContact CE-CB 3.76Å; L717-A729 HydrophobicContact CB-CB 3.79Å; G725-A729 PolarHBondContact O-N 3.29Å; Q726-A729 PolarHBondContact O-N 3.18Å; L727-A729 VanDerWaalsContact C-N 3.35Å; A729-N731 VanDerWaalsContact C-N 3.28Å; A729-N731 PolarHBondContact O-N 2.96Å; A729-A732 PolarHBondContact O-N 3.38Å; A729-L733 VanDerWaalsContact O-CB 3.31Å; A729-L733 WeakPolarHBondContact O-CB 3.38Å; A729-L733 WeakPolarHBondContact O-CG 3.32Å; A729-L733 PolarHBondContact O-N 3.05Å
730V97.6Very high94.5Very high0 Ų039.8 Ų39.80%021%0.21CC..Hα-helixtrans-60.4-39.5176.1171.30000111.2L717 Q726 L727 E728 L745 V758 E761 A762 T765L717-V730 HydrophobicContact CD1-CG2 3.43Å; L717-V730 VanDerWaalsContact CD1-CG2 3.43Å; L717-V730 HydrophobicContact CD2-CG2 3.93Å; L717-V730 HydrophobicContact CG-CG2 4.34Å; Q726-V730 VanDerWaalsContact O-CG2 3.31Å; Q726-V730 WeakPolarHBondContact O-CG2 3.11Å; Q726-V730 PolarHBondContact O-N 3.48Å; L727-V730 PolarHBondContact O-N 2.77Å; E728-V730 PolarHBondContact O-N 3.08Å; V730-L745 HydrophobicContact CG1-CD2 4.45Å; V730-L745 HydrophobicContact CG2-CD2 4.37Å; V730-V758 HydrophobicContact CG2-CG1 4.14Å; V730-E761 HydrophobicContact CG1-CB 4Å; V730-E761 HydrophobicContact CG1-CG 3.64Å; V730-A762 HydrophobicContact CG1-CB 4.38Å; V730-A762 HydrophobicContact CG2-CB 4.26Å; V730-T765 HydrophobicContact CG1-CG2 4.4Å; V730-T765 VanDerWaalsContact CG1-OG1 3.22Å; V730-T765 WeakPolarHBondContact CG1-OG1 3.49Å; V730-T765 VanDerWaalsContact O-CG2 3.26Å; V730-T765 WeakPolarHBondContact O-CG2 3.33Å; V730-T765 PolarHBondContact O-OG1 2.9Å; V730-T765 VanDerWaalsContact O-OG1 3.05Å
731N95.6Very high94.6Very high90 Ų9039.3 Ų39.348%0.48121%0.207SC..Hα-helixtrans-71.7-44.2179.3-168.457.1000111.8L727 E728 A729 L733 K734L727-N731 WeakPolarHBondContact O-CB 3.47Å; L727-N731 PolarHBondContact O-N 3.06Å; E728-N731 PolarHBondContact O-N 3.18Å; A729-N731 VanDerWaalsContact C-N 3.28Å; A729-N731 PolarHBondContact O-N 2.96Å; N731-L733 VanDerWaalsContact C-N 3.33Å; N731-L733 PolarHBondContact O-N 2.97Å; N731-K734 VanDerWaalsContact O-CB 3.29Å; N731-K734 WeakPolarHBondContact O-CB 3.4Å; N731-K734 VanDerWaalsContact O-CG 3.3Å; N731-K734 WeakPolarHBondContact O-CG 3.26Å; N731-K734 PolarHBondContact O-N 3.15Å; N731-K734 WeakPolarHBondContact OD1-CE 3.47Å; N731-K734 PolarHBondContact OD1-NZ 2.72Å
732A95.9Very high94.7Very high19 Ų1936.4 Ų36.416%0.15720%0.196CC..Hα-helixtrans-63.7-36.917800000112.6W713 E728 A729 K734 D735 F736W713-A732 HydrophobicContact CD2-CB 3.78Å; W713-A732 HydrophobicContact CE3-CB 4.14Å; W713-A732 HydrophobicContact CG-CB 4.19Å; W713-A732 HydrophobicContact CH2-CB 4.28Å; W713-A732 HydrophobicContact CZ2-CB 3.96Å; W713-A732 HydrophobicContact CZ3-CB 4.36Å; E728-A732 WeakPolarHBondContact O-CB 3.37Å; E728-A732 PolarHBondContact O-N 3.48Å; A729-A732 PolarHBondContact O-N 3.38Å; A732-K734 PolarHBondContact O-N 2.78Å; A732-K734 VanDerWaalsContact O-N 3.1Å; A732-D735 PolarHBondContact O-N 3.14Å; A732-F736 WeakPolarHBondContact O-CD2 3.32Å
733L96.6Very high94.6Very high0 Ų040.1 Ų40.10%021%0.213CC..G310 helixtrans-66-9.9178.6-76.3172.7000114.3W713 L717 A729 N731 D735 F736 T741W713-L733 HydrophobicContact CB-CD1 4.45Å; W713-L733 HydrophobicContact CB-CD2 3.75Å; W713-L733 HydrophobicContact CB-CG 3.88Å; L717-L733 HydrophobicContact CB-CD1 4.34Å; L717-L733 HydrophobicContact CD2-CD1 3.57Å; A729-L733 VanDerWaalsContact O-CB 3.31Å; A729-L733 WeakPolarHBondContact O-CB 3.38Å; A729-L733 WeakPolarHBondContact O-CG 3.32Å; A729-L733 PolarHBondContact O-N 3.05Å; N731-L733 VanDerWaalsContact C-N 3.33Å; N731-L733 PolarHBondContact O-N 2.97Å; L733-D735 PolarHBondContact O-N 3.2Å; L733-F736 HydrophobicContact CD2-CB 4.45Å; L733-F736 PolarHBondContact O-N 3.37Å; L733-T741 HydrophobicContact CB-CG2 3.9Å; L733-T741 HydrophobicContact CD1-CG2 4.42Å; L733-T741 HydrophobicContact CD2-CG2 4.07Å; L733-T741 HydrophobicContact CG-CG2 4.35Å
734K94Very high94.6Very high50 Ų5040.6 Ų40.622%0.21722%0.216CC..G310 helixtrans-58.4-33.3172.2-69.5173.8-178167.70111.9N731 A732 E761 T765 H768N731-K734 VanDerWaalsContact O-CB 3.29Å; N731-K734 WeakPolarHBondContact O-CB 3.4Å; N731-K734 VanDerWaalsContact O-CG 3.3Å; N731-K734 WeakPolarHBondContact O-CG 3.26Å; N731-K734 PolarHBondContact O-N 3.15Å; N731-K734 WeakPolarHBondContact OD1-CE 3.47Å; N731-K734 PolarHBondContact OD1-NZ 2.72Å; A732-K734 PolarHBondContact O-N 2.78Å; A732-K734 VanDerWaalsContact O-N 3.1Å; K734-E761 IonicContact NZ-OE1 3.2Å; K734-E761 PolarHBondContact NZ-OE1 3.47Å; K734-T765 WeakPolarHBondContact CE-OG1 3.29Å; K734-T765 HydrophobicContact CG-CG2 3.7Å; K734-H768 PolarHBondContact O-CE1 3.4Å; K734-H768 PolarHBondContact O-ND1 3.29Å
735D93Very high94.6Very high135 Ų13540 Ų4072%0.72221%0.213SC*.G310 helixtrans-86.8-9.2-176.8-61.1-32.5000113.4A732 L733A732-D735 PolarHBondContact O-N 3.14Å; L733-D735 PolarHBondContact O-N 3.2Å
736F93.6Very high94.6Very high77 Ų7741 Ų4134%0.33822%0.219SC..  trans-11667.1-175.5-59.2-77.1000111.8D710 W713 A732 L733 S738 T741D710-F736 HydrophobicContact CB-CB 3.98Å; D710-F736 HydrophobicContact CB-CD1 3.79Å; D710-F736 HydrophobicContact CB-CD2 4.39Å; D710-F736 HydrophobicContact CB-CE1 4.36Å; D710-F736 HydrophobicContact CB-CG 3.79Å; W713-F736 AromaticContact CD1-CE2 3.94Å; A732-F736 WeakPolarHBondContact O-CD2 3.32Å; L733-F736 HydrophobicContact CD2-CB 4.45Å; L733-F736 PolarHBondContact O-N 3.37Å; F736-S738 PolarHBondContact O-N 2.98Å; F736-S738 VanDerWaalsContact O-N 3.12Å; F736-T741 WeakPolarHBondContact O-CB 3.5Å; F736-T741 PolarHBondContact O-OG1 3.28Å
737A91.9Very high94.5Very high38 Ų3844.2 Ų44.231%0.31424%0.237SC..  trans-67.3110.7-179.700000111.7V769 E772 L773A737-V769 HydrophobicContact CB-CG1 4.27Å; A737-E772 HydrophobicContact CB-CB 3.71Å; A737-L773 HydrophobicContact CB-CD2 4.41Å; A737-L773 HydrophobicContact CB-CG 4.39Å
738S92.5Very high94.5Very high25 Ų2543.7 Ų43.718%0.17523%0.234CC..  trans-148.7159.7177.579.20000111.8F736 E740 T741 R742F736-S738 PolarHBondContact O-N 2.98Å; F736-S738 VanDerWaalsContact O-N 3.12Å; S738-E740 PolarHBondContact O-N 3.05Å; S738-E740 PolarHBondContact OG-N 3.22Å; S738-T741 PolarHBondContact O-N 2.88Å; S738-T741 PolarHBondContact OG-N 3.3Å; S738-T741 PolarHBondContact OG-OG1 3.48Å; S738-R742 PolarHBondContact O-N 3.18Å
739P89.9Confident94.5Very high103 Ų10340.8 Ų40.867%0.66922%0.221SC*.Hα-helixtrans-57.8-30.3172.4-24.634.6000113.2H743P739-H743 PolarHBondContact O-N 3.15Å; P739-H743 VanDerWaalsContact O-N 3.1Å
740E90.7Very high94.4Very high49 Ų4943.1 Ų43.123%0.22923%0.233CC..Hα-helixtrans-69.5-48.2175.4-171.463.3-156.300111.5R682 S738 R742 H743 V744R682-E740 IonicContact CZ-OE2 3.4Å; R682-E740 IonicContact NH1-OE2 2.74Å; R682-E740 PolarHBondContact NH1-OE2 3.37Å; R682-E740 IonicContact NH2-OE2 3.03Å; R682-E740 PolarHBondContact NH2-OE2 3.13Å; S738-E740 PolarHBondContact O-N 3.05Å; S738-E740 PolarHBondContact OG-N 3.22Å; E740-R742 PolarHBondContact O-N 3.21Å; E740-H743 WeakPolarHBondContact O-CA 3.26Å; E740-H743 WeakPolarHBondContact O-CB 3.39Å; E740-H743 PolarHBondContact O-N 3.15Å; E740-V744 HydrophobicContact CG-CG2 4.31Å; E740-V744 PolarHBondContact O-N 3.38Å
741T95Very high94.3Very high0 Ų046.2 Ų46.20%025%0.249CC..Hα-helixtrans-54.2-44.6176.9-52.90000110.1H714 L733 F736 S738 H743 L745 V769H714-T741 PolarHBondContact NE2-OG1 3.45Å; L733-T741 HydrophobicContact CB-CG2 3.9Å; L733-T741 HydrophobicContact CD1-CG2 4.42Å; L733-T741 HydrophobicContact CD2-CG2 4.07Å; L733-T741 HydrophobicContact CG-CG2 4.35Å; F736-T741 WeakPolarHBondContact O-CB 3.5Å; F736-T741 PolarHBondContact O-OG1 3.28Å; S738-T741 PolarHBondContact O-N 2.88Å; S738-T741 PolarHBondContact OG-N 3.3Å; S738-T741 PolarHBondContact OG-OG1 3.48Å; T741-H743 PolarHBondContact O-N 3.08Å; T741-L745 HydrophobicContact CG2-CD1 3.78Å; T741-L745 HydrophobicContact CG2-CG 4.46Å; T741-L745 WeakPolarHBondContact O-CB 3.2Å; T741-L745 WeakPolarHBondContact O-CD1 3.48Å; T741-L745 WeakPolarHBondContact O-CG 3.47Å; T741-L745 PolarHBondContact O-N 3.43Å; T741-V769 HydrophobicContact CG2-CG1 4.32Å; T741-V769 HydrophobicContact CG2-CG2 3.85Å
742R93.6Very high94.1Very high54 Ų5447.4 Ų47.420%0.20425%0.252CS..Hα-helixtrans-57.2-46.9173.2-179-172.4171.3160.91.3112.1S738 E740 S746 L766 V770 T786 S789S738-R742 PolarHBondContact O-N 3.18Å; E740-R742 PolarHBondContact O-N 3.21Å; R742-S746 WeakPolarHBondContact O-CB 3.26Å; R742-S746 PolarHBondContact O-N 3.46Å; R742-S746 PolarHBondContact O-OG 3.05Å; R742-L766 HydrophobicContact CB-CD1 4.25Å; R742-L766 HydrophobicContact CG-CD1 3.76Å; R742-V770 HydrophobicContact CG-CG2 4.23Å; R742-T786 VanDerWaalsContact NH1-CG2 3.27Å; R742-T786 PolarHBondContact NH1-O 3.04Å; R742-T786 PolarHBondContact NH2-O 3.29Å; R742-S789 PolarHBondContact NH2-O 2.93Å; R742-S789 PolarHBondContact NH2-OG 3.39Å
743H92.7Very high94Very high100 Ų10057.9 Ų57.946%0.46329%0.288SS..Hα-helixtrans-65-48.8-177.8-177.562.6000112.2P739 E740 T741 S746 N747P739-H743 PolarHBondContact O-N 3.15Å; P739-H743 VanDerWaalsContact O-N 3.1Å; E740-H743 WeakPolarHBondContact O-CA 3.26Å; E740-H743 WeakPolarHBondContact O-CB 3.39Å; E740-H743 PolarHBondContact O-N 3.15Å; T741-H743 PolarHBondContact O-N 3.08Å; H743-S746 WeakPolarHBondContact O-CB 3.06Å; H743-S746 PolarHBondContact O-N 3.13Å; H743-N747 PolarHBondContact CD2-ND2 2.63Å; H743-N747 PolarHBondContact CE1-ND2 2.91Å; H743-N747 PolarHBondContact NE2-ND2 2.69Å; H743-N747 PolarHBondContact O-N 3.18Å; H743-N747 PolarHBondContact O-ND2 3.4Å
744V94.7Very high93.9Very high12 Ų1258.5 Ų58.57%0.07329%0.29CS..Hα-helixtrans-60.1-50179.2175.70000110.4H714 L717 A718 E740 S746 N747 I748H714-V744 HydrophobicContact CB-CG2 4.31Å; L717-V744 HydrophobicContact CB-CG1 4.35Å; L717-V744 HydrophobicContact CD2-CG1 3.86Å; L717-V744 HydrophobicContact CG-CG1 4.05Å; A718-V744 HydrophobicContact CB-CG1 4.45Å; E740-V744 HydrophobicContact CG-CG2 4.31Å; E740-V744 PolarHBondContact O-N 3.38Å; V744-S746 VanDerWaalsContact C-N 3.28Å; V744-S746 PolarHBondContact O-N 2.89Å; V744-N747 WeakPolarHBondContact O-CB 3.49Å; V744-N747 PolarHBondContact O-N 3.02Å; V744-N747 VanDerWaalsContact O-N 3.1Å; V744-I748 HydrophobicContact CG1-CG1 4.41Å; V744-I748 VanDerWaalsContact O-CG1 3.31Å; V744-I748 WeakPolarHBondContact O-CG1 3.43Å; V744-I748 PolarHBondContact O-N 3.49Å
745L96.8Very high94Very high0 Ų057.3 Ų57.30%029%0.285CS..Hα-helixtrans-58-40.5178.1-70.5166.1000112.2L717 V730 T741 N747 I748 I749 A762 T765 L766 V769L717-L745 HydrophobicContact CD2-CD2 3.77Å; L717-L745 HydrophobicContact CD2-CG 4.43Å; V730-L745 HydrophobicContact CG1-CD2 4.45Å; V730-L745 HydrophobicContact CG2-CD2 4.37Å; T741-L745 HydrophobicContact CG2-CD1 3.78Å; T741-L745 HydrophobicContact CG2-CG 4.46Å; T741-L745 WeakPolarHBondContact O-CB 3.2Å; T741-L745 WeakPolarHBondContact O-CD1 3.48Å; T741-L745 WeakPolarHBondContact O-CG 3.47Å; T741-L745 PolarHBondContact O-N 3.43Å; L745-N747 PolarHBondContact O-N 3.24Å; L745-I748 PolarHBondContact O-N 3.05Å; L745-I749 WeakPolarHBondContact O-CD1 3.26Å; L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.33Å; L745-I749 PolarHBondContact O-N 2.99Å; L745-A762 HydrophobicContact CD2-CB 3.92Å; L745-T765 HydrophobicContact CD1-CG2 3.67Å; L745-T765 HydrophobicContact CD2-CG2 4.08Å; L745-L766 HydrophobicContact CB-CB 4.14Å; L745-L766 HydrophobicContact CB-CD1 4.14Å; L745-L766 HydrophobicContact CD1-CB 4.17Å; L745-L766 HydrophobicContact CD1-CD1 4.42Å; L745-V769 HydrophobicContact CD1-CG2 4.26Å
746S95.1Very high94.2Very high19 Ų1952.7 Ų52.713%0.13326%0.258CS..Hα-helixtrans-62.3-42.4176.7-56.40000111.8R742 H743 V744 I748 I749 L750R742-S746 WeakPolarHBondContact O-CB 3.26Å; R742-S746 PolarHBondContact O-N 3.46Å; R742-S746 PolarHBondContact O-OG 3.05Å; H743-S746 WeakPolarHBondContact O-CB 3.06Å; H743-S746 PolarHBondContact O-N 3.13Å; V744-S746 VanDerWaalsContact C-N 3.28Å; V744-S746 PolarHBondContact O-N 2.89Å; S746-I748 VanDerWaalsContact C-N 3.32Å; S746-I748 PolarHBondContact O-N 3.13Å; S746-I749 PolarHBondContact O-N 3.04Å; S746-L750 WeakPolarHBondContact O-CG 3.36Å; S746-L750 PolarHBondContact O-N 3.09Å
747N94.8Very high94.4Very high79 Ų7951.2 Ų51.242%0.42225%0.252SS..Hα-helixtrans-64.2-37.8176.8-67.4-22.1000111.9H743 V744 L745 N751H743-N747 PolarHBondContact CD2-ND2 2.63Å; H743-N747 PolarHBondContact CE1-ND2 2.91Å; H743-N747 PolarHBondContact NE2-ND2 2.69Å; H743-N747 PolarHBondContact O-N 3.18Å; H743-N747 PolarHBondContact O-ND2 3.4Å; V744-N747 WeakPolarHBondContact O-CB 3.49Å; V744-N747 PolarHBondContact O-N 3.02Å; V744-N747 VanDerWaalsContact O-N 3.1Å; L745-N747 PolarHBondContact O-N 3.24Å; N747-N751 WeakPolarHBondContact O-CB 3.28Å; N747-N751 PolarHBondContact O-N 3.25Å
748I96.5Very high94.7Very high7 Ų749.4 Ų49.44%0.03624%0.237CC..Hα-helixtrans-64.7-45.9177.8-64.8-66.4000111.2L717 V744 L745 S746 L750 N751 I754 V758 A762L717-I748 HydrophobicContact CD1-CD1 3.94Å; L717-I748 HydrophobicContact CD1-CG1 3.89Å; L717-I748 HydrophobicContact CD1-CG2 4.34Å; L717-I748 HydrophobicContact CD2-CG1 4.09Å; L717-I748 HydrophobicContact CG-CD1 3.92Å; L717-I748 HydrophobicContact CG-CG1 3.72Å; L717-I748 VanDerWaalsContact O-CD1 3.27Å; L717-I748 WeakPolarHBondContact O-CD1 3.47Å; V744-I748 HydrophobicContact CG1-CG1 4.41Å; V744-I748 VanDerWaalsContact O-CG1 3.31Å; V744-I748 WeakPolarHBondContact O-CG1 3.43Å; V744-I748 PolarHBondContact O-N 3.49Å; L745-I748 PolarHBondContact O-N 3.05Å; S746-I748 VanDerWaalsContact C-N 3.32Å; S746-I748 PolarHBondContact O-N 3.13Å; I748-L750 VanDerWaalsContact C-N 3.29Å; I748-L750 PolarHBondContact O-N 2.99Å; I748-N751 PolarHBondContact O-N 2.96Å; I748-I754 HydrophobicContact CB-CD1 4.2Å; I748-I754 HydrophobicContact CD1-CD1 3.33Å; I748-I754 HydrophobicContact CG1-CD1 4.31Å; I748-I754 HydrophobicContact CG2-CD1 3.87Å; I748-I754 HydrophobicContact CG2-CG2 4.21Å; I748-V758 HydrophobicContact CG2-CG1 3.93Å; I748-A762 HydrophobicContact CG2-CB 4.11Å
749I96.8Very high94.9Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-60-40.6-179.5-68162.8000111.2L745 S746 R759 A762 C763 L766 L791 M794L745-I749 WeakPolarHBondContact O-CD1 3.26Å; L745-I749 VanDerWaalsContact O-CG1 3.27Å; L745-I749 WeakPolarHBondContact O-CG1 3.33Å; L745-I749 PolarHBondContact O-N 2.99Å; S746-I749 PolarHBondContact O-N 3.04Å; I749-R759 VanDerWaalsContact O-CZ 3.28Å; I749-R759 PolarHBondContact O-NE 3.48Å; I749-R759 PolarHBondContact O-NH2 3.39Å; I749-A762 HydrophobicContact CD1-CB 4.34Å; I749-A762 HydrophobicContact CG1-CB 3.83Å; I749-C763 HydrophobicContact CD1-CB 4.48Å; I749-L766 HydrophobicContact CD1-CB 4.28Å; I749-L766 HydrophobicContact CD1-CD2 3.5Å; I749-L791 HydrophobicContact CD1-CD2 3.93Å; I749-M794 HydrophobicContact CB-SD 4.48Å; I749-M794 HydrophobicContact CG2-SD 4.32Å
750L95.3Very high95.3Very high49 Ų4944.9 Ų44.926%0.25721%0.205SC..Hα-helixtrans-79-15.3-178.7-66.3175.2000113.9S746 I748 E752 M794 L798S746-L750 WeakPolarHBondContact O-CG 3.36Å; S746-L750 PolarHBondContact O-N 3.09Å; I748-L750 VanDerWaalsContact C-N 3.29Å; I748-L750 PolarHBondContact O-N 2.99Å; L750-E752 PolarHBondContact O-N 3.42Å; L750-M794 HydrophobicContact CD1-CG 4.28Å; L750-M794 HydrophobicContact CD1-SD 4.13Å; L750-M794 HydrophobicContact CD2-CB 4.1Å; L750-M794 HydrophobicContact CD2-CG 4.04Å; L750-M794 HydrophobicContact CD2-SD 4.18Å; L750-M794 HydrophobicContact CG-CG 4.31Å; L750-M794 HydrophobicContact CG-SD 3.92Å; L750-L798 HydrophobicContact CD2-CD1 4.13Å; L750-L798 HydrophobicContact CD2-CD2 4.18Å; L750-L798 HydrophobicContact CD2-CG 4.12Å
751N94.4Very high95.6Very high65 Ų6545.5 Ų45.535%0.34821%0.208SC..  trans-83.7108.5-177.3-172.9-11000111.9N747 I748 R753 I754 R759N747-N751 WeakPolarHBondContact O-CB 3.28Å; N747-N751 PolarHBondContact O-N 3.25Å; I748-N751 PolarHBondContact O-N 2.96Å; N751-R753 PolarHBondContact O-N 2.86Å; N751-R753 WeakPolarHBondContact OD1-CB 3.28Å; N751-R753 PolarHBondContact OD1-N 2.89Å; N751-I754 HydrophobicContact CB-CD1 3.83Å; N751-I754 HydrophobicContact CB-CG1 4.01Å; N751-I754 PolarHBondContact O-N 3.45Å; N751-R759 WeakPolarHBondContact O-CD 3.49Å; N751-R759 PolarHBondContact O-NE 3Å
752E93.3Very high95.8Very high115 Ų11545.5 Ų45.554%0.53721%0.208SC..THydrogen-bonded Turntrans-63.8-21-179.3-66177.8-166.800114.8L750 I754 F818L750-E752 PolarHBondContact O-N 3.42Å; E752-I754 VanDerWaalsContact C-N 3.26Å; E752-I754 PolarHBondContact O-N 3.09Å; E752-F818 HydrophobicContact CG-CE1 4.18Å; E752-F818 HydrophobicContact CG-CZ 3.92Å; E752-F818 WeakPolarHBondContact OE1-CZ 3.32Å
753R92.7Very high95.9Very high239 Ų23942.9 Ų42.990%0.90220%0.198SC*.THydrogen-bonded Turntrans-78.3-14-179.5-60.4-176.8-179.2177.30.4112.9N751N751-R753 PolarHBondContact O-N 2.86Å; N751-R753 WeakPolarHBondContact OD1-CB 3.28Å; N751-R753 PolarHBondContact OD1-N 2.89Å
754I95.2Very high96.2Very high12 Ų1241.1 Ų41.16%0.06219%0.189CC..SBendtrans-82.8141.7-177.6-62.7-176.7000109.8I748 N751 E752 Y756 V758 R759I748-I754 HydrophobicContact CB-CD1 4.2Å; I748-I754 HydrophobicContact CD1-CD1 3.33Å; I748-I754 HydrophobicContact CG1-CD1 4.31Å; I748-I754 HydrophobicContact CG2-CD1 3.87Å; I748-I754 HydrophobicContact CG2-CG2 4.21Å; N751-I754 HydrophobicContact CB-CD1 3.83Å; N751-I754 HydrophobicContact CB-CG1 4.01Å; N751-I754 PolarHBondContact O-N 3.45Å; E752-I754 VanDerWaalsContact C-N 3.26Å; E752-I754 PolarHBondContact O-N 3.09Å; I754-Y756 PolarHBondContact O-N 2.65Å; I754-V758 HydrophobicContact CG2-CB 3.77Å; I754-V758 HydrophobicContact CG2-CG1 3.72Å; I754-V758 HydrophobicContact CG2-CG2 4.49Å; I754-R759 HydrophobicContact CB-CG 4.05Å; I754-R759 HydrophobicContact CG2-CG 3.94Å; I754-R759 VanDerWaalsContact O-CD 3.29Å; I754-R759 WeakPolarHBondContact O-CD 3.46Å
755F96.3Very high96.3Very high25 Ų2540.6 Ų40.611%0.1119%0.186CC..  trans-53.3129.8178.3-177.2-132.6000111.2N418 E419 K422 C723 H757 V758 R759N418-F755 HydrophobicContact CB-CD1 4.12Å; N418-F755 HydrophobicContact CB-CD2 3.71Å; N418-F755 HydrophobicContact CB-CE1 4.08Å; N418-F755 HydrophobicContact CB-CE2 3.71Å; N418-F755 HydrophobicContact CB-CG 3.93Å; N418-F755 HydrophobicContact CB-CZ 3.9Å; E419-F755 HydrophobicContact CB-CZ 4.41Å; K422-F755 HydrophobicContact CB-CE1 4.38Å; C723-F755 HydrophobicContact CB-CB 4.12Å; C723-F755 HydrophobicContact CB-CD1 3.74Å; C723-F755 HydrophobicContact CB-CE1 4.49Å; C723-F755 HydrophobicContact CB-CG 4.19Å; F755-H757 VanDerWaalsContact C-N 3.26Å; F755-H757 HydrophobicContact CD1-CB 3.85Å; F755-H757 HydrophobicContact CE1-CB 3.55Å; F755-H757 AromaticContact CE1-CD2 3.82Å; F755-H757 HydrophobicContact CZ-CB 4.15Å; F755-H757 AromaticContact CZ-CD2 3.57Å; F755-H757 PolarHBondContact O-N 3.41Å; F755-H757 VanDerWaalsContact O-N 3.16Å; F755-V758 HydrophobicContact CB-CG2 4.21Å; F755-V758 HydrophobicContact CD1-CG2 4.28Å; F755-V758 WeakPolarHBondContact O-CB 3.29Å; F755-V758 PolarHBondContact O-N 2.81Å; F755-R759 PolarHBondContact O-N 2.95Å
756Y96.4Very high96.2Very high39 Ų3940.6 Ų40.615%0.15319%0.186CC..Hα-helixtrans-59.3-34.6-169.768.4-89.5000112.8E419 I754 V758 R759 M760 F820E419-Y756 PolarHBondContact OE2-OH 3Å; I754-Y756 PolarHBondContact O-N 2.65Å; Y756-V758 VanDerWaalsContact C-N 3.35Å; Y756-V758 PolarHBondContact O-N 3.4Å; Y756-R759 WeakPolarHBondContact O-CB 3.32Å; Y756-R759 PolarHBondContact O-N 3.04Å; Y756-R759 VanDerWaalsContact O-N 3.14Å; Y756-M760 HydrophobicContact CD2-SD 3.66Å; Y756-M760 HydrophobicContact CE2-SD 4.14Å; Y756-M760 WeakPolarHBondContact O-CG 3.47Å; Y756-M760 PolarHBondContact O-N 3.19Å; Y756-F820 HydrophobicContact CD2-CB 4.01Å; Y756-F820 HydrophobicContact CD2-CD2 4.19Å; Y756-F820 HydrophobicContact CD2-CG 4.38Å; Y756-F820 HydrophobicContact CE2-CB 4.43Å; Y756-F820 HydrophobicContact CE2-CD2 4.04Å; Y756-F820 HydrophobicContact CE2-CG 4.35Å
757H97.1Very high96.2Very high45 Ų4539.7 Ų39.721%0.20818%0.179CC..Hα-helixtrans-62.5-37.8174.5-85.5-72.4000113.5E419 F755 R759 M760 E761E419-H757 IonicContact OE2-CD2 3.81Å; E419-H757 PolarHBondContact OE2-CD2 3.13Å; E419-H757 IonicContact OE2-NE2 2.76Å; E419-H757 PolarHBondContact OE2-NE2 3.08Å; F755-H757 VanDerWaalsContact C-N 3.26Å; F755-H757 HydrophobicContact CD1-CB 3.85Å; F755-H757 HydrophobicContact CE1-CB 3.55Å; F755-H757 AromaticContact CE1-CD2 3.82Å; F755-H757 HydrophobicContact CZ-CB 4.15Å; F755-H757 AromaticContact CZ-CD2 3.57Å; F755-H757 PolarHBondContact O-N 3.41Å; F755-H757 VanDerWaalsContact O-N 3.16Å; H757-R759 VanDerWaalsContact C-N 3.31Å; H757-M760 PolarHBondContact O-N 3.34Å; H757-E761 WeakPolarHBondContact O-CB 3.35Å; H757-E761 PolarHBondContact O-N 2.93Å
758V97.9Very high96.1Very high0 Ų039.7 Ų39.70%018%0.176CC..Hα-helixtrans-62.6-43.3173.9174.80000109.5L717 Q726 L727 V730 I748 I754 F755 Y756 E761 A762L717-V758 HydrophobicContact CD1-CG1 4.3Å; Q726-V758 HydrophobicContact CB-CB 4.5Å; Q726-V758 HydrophobicContact CB-CG1 3.81Å; Q726-V758 HydrophobicContact CB-CG2 3.8Å; L727-V758 HydrophobicContact CD2-CG2 4.1Å; L727-V758 HydrophobicContact CG-CG2 3.82Å; V730-V758 HydrophobicContact CG2-CG1 4.14Å; I748-V758 HydrophobicContact CG2-CG1 3.93Å; I754-V758 HydrophobicContact CG2-CB 3.77Å; I754-V758 HydrophobicContact CG2-CG1 3.72Å; I754-V758 HydrophobicContact CG2-CG2 4.49Å; F755-V758 HydrophobicContact CB-CG2 4.21Å; F755-V758 HydrophobicContact CD1-CG2 4.28Å; F755-V758 WeakPolarHBondContact O-CB 3.29Å; F755-V758 PolarHBondContact O-N 2.81Å; Y756-V758 VanDerWaalsContact C-N 3.35Å; Y756-V758 PolarHBondContact O-N 3.4Å; V758-E761 PolarHBondContact O-N 3.36Å; V758-A762 WeakPolarHBondContact O-CB 3.27Å; V758-A762 PolarHBondContact O-N 2.84Å
759R97.9Very high95.9Very high0 Ų039.3 Ų39.30%018%0.175CC..Hα-helixtrans-64.8-40.9178.1-59.2172.366.7-172.16.5111.7I749 N751 I754 F755 Y756 H757 A762 C763 L821I749-R759 VanDerWaalsContact O-CZ 3.28Å; I749-R759 PolarHBondContact O-NE 3.48Å; I749-R759 PolarHBondContact O-NH2 3.39Å; N751-R759 WeakPolarHBondContact O-CD 3.49Å; N751-R759 PolarHBondContact O-NE 3Å; I754-R759 HydrophobicContact CB-CG 4.05Å; I754-R759 HydrophobicContact CG2-CG 3.94Å; I754-R759 VanDerWaalsContact O-CD 3.29Å; I754-R759 WeakPolarHBondContact O-CD 3.46Å; F755-R759 PolarHBondContact O-N 2.95Å; Y756-R759 WeakPolarHBondContact O-CB 3.32Å; Y756-R759 PolarHBondContact O-N 3.04Å; Y756-R759 VanDerWaalsContact O-N 3.14Å; H757-R759 VanDerWaalsContact C-N 3.31Å; R759-A762 PolarHBondContact O-N 3.26Å; R759-C763 PolarHBondContact O-N 3.37Å; R759-C763 VanDerWaalsContact O-N 3.15Å; R759-C763 PolarHBondContact O-SG 3.41Å; R759-L821 HydrophobicContact CB-CD1 3.92Å
760M97.8Very high95.7Very high34 Ų3439.4 Ų39.417%0.16718%0.175CC..Hα-helixtrans-62.6-51.5176.1-68.4169.264.400111.1Y756 H757 A762 C763 F764 F820 A824Y756-M760 HydrophobicContact CD2-SD 3.66Å; Y756-M760 HydrophobicContact CE2-SD 4.14Å; Y756-M760 WeakPolarHBondContact O-CG 3.47Å; Y756-M760 PolarHBondContact O-N 3.19Å; H757-M760 PolarHBondContact O-N 3.34Å; M760-A762 VanDerWaalsContact C-N 3.29Å; M760-A762 PolarHBondContact O-N 3.22Å; M760-C763 VanDerWaalsContact O-CB 3.28Å; M760-C763 WeakPolarHBondContact O-CB 3.38Å; M760-C763 PolarHBondContact O-N 3.42Å; M760-C763 VanDerWaalsContact O-N 3.09Å; M760-F764 VanDerWaalsContact O-CD2 3.29Å; M760-F764 WeakPolarHBondContact O-CD2 3.46Å; M760-F764 PolarHBondContact O-N 3.3Å; M760-F820 HydrophobicContact SD-CB 3.91Å; M760-A824 HydrophobicContact CB-CB 3.73Å; M760-A824 HydrophobicContact CE-CB 4.06Å; M760-A824 HydrophobicContact CG-CB 3.55Å
761E97.7Very high95.5Very high61 Ų6138.1 Ų38.129%0.28517%0.168SC..Hα-helixtrans-63.5-38.3179.2-168.163.3-159.100111L727 V730 K734 H757 V758 C763 F764 T765L727-E761 HydrophobicContact CD2-CB 4.08Å; L727-E761 HydrophobicContact CD2-CG 4.49Å; V730-E761 HydrophobicContact CG1-CB 4Å; V730-E761 HydrophobicContact CG1-CG 3.64Å; K734-E761 IonicContact NZ-OE1 3.2Å; K734-E761 PolarHBondContact NZ-OE1 3.47Å; H757-E761 WeakPolarHBondContact O-CB 3.35Å; H757-E761 PolarHBondContact O-N 2.93Å; V758-E761 PolarHBondContact O-N 3.36Å; E761-C763 PolarHBondContact O-N 3.01Å; E761-F764 PolarHBondContact O-N 2.86Å; E761-T765 PolarHBondContact O-N 3.35Å; E761-T765 PolarHBondContact O-OG1 3.03Å
762A97.8Very high95.3Very high0 Ų039.3 Ų39.30%017%0.172CC..Hα-helixtrans-59.9-31.9175.100000112.3V730 L745 I748 I749 V758 R759 M760 L766V730-A762 HydrophobicContact CG1-CB 4.38Å; V730-A762 HydrophobicContact CG2-CB 4.26Å; L745-A762 HydrophobicContact CD2-CB 3.92Å; I748-A762 HydrophobicContact CG2-CB 4.11Å; I749-A762 HydrophobicContact CD1-CB 4.34Å; I749-A762 HydrophobicContact CG1-CB 3.83Å; V758-A762 WeakPolarHBondContact O-CB 3.27Å; V758-A762 PolarHBondContact O-N 2.84Å; R759-A762 PolarHBondContact O-N 3.26Å; M760-A762 VanDerWaalsContact C-N 3.29Å; M760-A762 PolarHBondContact O-N 3.22Å; A762-L766 WeakPolarHBondContact O-CB 3.44Å; A762-L766 PolarHBondContact O-N 3.1Å
763C97.6Very high95Very high0 Ų035.6 Ų35.60%016%0.156CC..Hα-helixtrans-62.5-46.2173.2-63.60000111.4I749 R759 M760 E761 L766 C767 L791 A828I749-C763 HydrophobicContact CD1-CB 4.48Å; R759-C763 PolarHBondContact O-N 3.37Å; R759-C763 VanDerWaalsContact O-N 3.15Å; R759-C763 PolarHBondContact O-SG 3.41Å; M760-C763 VanDerWaalsContact O-CB 3.28Å; M760-C763 WeakPolarHBondContact O-CB 3.38Å; M760-C763 PolarHBondContact O-N 3.42Å; M760-C763 VanDerWaalsContact O-N 3.09Å; E761-C763 PolarHBondContact O-N 3.01Å; C763-L766 PolarHBondContact O-N 3.23Å; C763-C767 PolarHBondContact O-N 3.37Å; C763-C767 VanDerWaalsContact O-N 3.13Å; C763-C767 PolarHBondContact O-SG 3.02Å; C763-L791 HydrophobicContact CB-CD1 4.25Å; C763-L791 HydrophobicContact CB-CD2 4.31Å; C763-A828 HydrophobicContact CB-CB 3.75Å
764F97.1Very high94.6Very high63 Ų6324.7 Ų24.728%0.27612%0.116SC..Hα-helixtrans-67.7-45.6179-69.1-77.9000111.9M760 E761 L766 C767 H768 A824 K827 A828 T831M760-F764 VanDerWaalsContact O-CD2 3.29Å; M760-F764 WeakPolarHBondContact O-CD2 3.46Å; M760-F764 PolarHBondContact O-N 3.3Å; E761-F764 PolarHBondContact O-N 2.86Å; F764-L766 VanDerWaalsContact C-N 3.3Å; F764-L766 PolarHBondContact O-N 3.22Å; F764-C767 PolarHBondContact O-N 3.08Å; F764-H768 PolarHBondContact O-N 3.23Å; F764-A824 HydrophobicContact CE2-CB 4.35Å; F764-K827 HydrophobicContact CE1-CB 4.11Å; F764-K827 HydrophobicContact CZ-CB 3.81Å; F764-A828 HydrophobicContact CD1-CB 3.89Å; F764-A828 HydrophobicContact CE1-CB 4.02Å; F764-A828 HydrophobicContact CG-CB 4.21Å; F764-A828 HydrophobicContact CZ-CB 4.43Å; F764-T831 HydrophobicContact CD1-CG2 4.47Å
765T96.8Very high94.1Very high0 Ų028.2 Ų28.20%014%0.138CC..Hα-helixtrans-60.1-41.7175.3-63.90000111.4V730 K734 L745 E761 C767 H768 V769V730-T765 HydrophobicContact CG1-CG2 4.4Å; V730-T765 VanDerWaalsContact CG1-OG1 3.22Å; V730-T765 WeakPolarHBondContact CG1-OG1 3.49Å; V730-T765 VanDerWaalsContact O-CG2 3.26Å; V730-T765 WeakPolarHBondContact O-CG2 3.33Å; V730-T765 PolarHBondContact O-OG1 2.9Å; V730-T765 VanDerWaalsContact O-OG1 3.05Å; K734-T765 WeakPolarHBondContact CE-OG1 3.29Å; K734-T765 HydrophobicContact CG-CG2 3.7Å; L745-T765 HydrophobicContact CD1-CG2 3.67Å; L745-T765 HydrophobicContact CD2-CG2 4.08Å; E761-T765 PolarHBondContact O-N 3.35Å; E761-T765 PolarHBondContact O-OG1 3.03Å; T765-C767 VanDerWaalsContact C-N 3.35Å; T765-C767 PolarHBondContact O-N 3.07Å; T765-H768 WeakPolarHBondContact O-CB 3.28Å; T765-H768 PolarHBondContact O-N 2.94Å; T765-V769 HydrophobicContact CG2-CG2 4.27Å; T765-V769 WeakPolarHBondContact O-CG2 3.36Å; T765-V769 PolarHBondContact O-N 3.3Å
766L96.1Very high93.3Very high0 Ų033.3 Ų33.30%017%0.166CC..Hα-helixtrans-61.6-43.4178.717661.2000111.6R742 L745 I749 A762 C763 F764 H768 V769 V770 C790 L791 M794R742-L766 HydrophobicContact CB-CD1 4.25Å; R742-L766 HydrophobicContact CG-CD1 3.76Å; L745-L766 HydrophobicContact CB-CB 4.14Å; L745-L766 HydrophobicContact CB-CD1 4.14Å; L745-L766 HydrophobicContact CD1-CB 4.17Å; L745-L766 HydrophobicContact CD1-CD1 4.42Å; I749-L766 HydrophobicContact CD1-CB 4.28Å; I749-L766 HydrophobicContact CD1-CD2 3.5Å; A762-L766 WeakPolarHBondContact O-CB 3.44Å; A762-L766 PolarHBondContact O-N 3.1Å; C763-L766 PolarHBondContact O-N 3.23Å; F764-L766 VanDerWaalsContact C-N 3.3Å; F764-L766 PolarHBondContact O-N 3.22Å; L766-H768 VanDerWaalsContact C-N 3.35Å; L766-V769 PolarHBondContact O-N 2.99Å; L766-V770 HydrophobicContact CD1-CG2 4.15Å; L766-V770 WeakPolarHBondContact O-CB 3.45Å; L766-V770 WeakPolarHBondContact O-CG2 3.38Å; L766-V770 PolarHBondContact O-N 2.94Å; L766-C790 WeakPolarHBondContact CD2-SG 3.4Å; L766-C790 WeakPolarHBondContact CG-SG 3.46Å; L766-L791 HydrophobicContact CD2-CD2 3.96Å; L766-L791 HydrophobicContact CD2-CG 4.19Å; L766-M794 HydrophobicContact CD2-CE 3.57Å
767C94.3Very high92.3Very high0 Ų033.5 Ų33.50%017%0.173CC..Hα-helixtrans-60.8-43.7173.6-74.70000112.2C763 F764 T765 V770 N771 L791 A828 T831 L832C763-C767 PolarHBondContact O-N 3.37Å; C763-C767 VanDerWaalsContact O-N 3.13Å; C763-C767 PolarHBondContact O-SG 3.02Å; F764-C767 PolarHBondContact O-N 3.08Å; T765-C767 VanDerWaalsContact C-N 3.35Å; T765-C767 PolarHBondContact O-N 3.07Å; C767-V770 PolarHBondContact O-N 3.13Å; C767-N771 WeakPolarHBondContact O-CB 3.12Å; C767-N771 PolarHBondContact O-N 3Å; C767-N771 PolarHBondContact O-ND2 2.81Å; C767-N771 PolarHBondContact O-OD1 3.47Å; C767-L791 WeakPolarHBondContact SG-CD1 3.43Å; C767-A828 VanDerWaalsContact SG-C 3.6Å; C767-A828 PolarHBondContact SG-O 3.49Å; C767-T831 WeakPolarHBondContact CB-OG1 3.5Å; C767-L832 HydrophobicContact CB-CD2 3.67Å; C767-L832 HydrophobicContact CB-CG 4.37Å; C767-L832 WeakPolarHBondContact SG-CD2 3.42Å
768H93.7Very high91.1Very high79 Ų7939.2 Ų39.237%0.36621%0.205SC..Hα-helixtrans-58.5-50.9176-175.7-91.1000111.7K734 F764 T765 L766 V770 N771 E772K734-H768 PolarHBondContact O-CE1 3.4Å; K734-H768 PolarHBondContact O-ND1 3.29Å; F764-H768 PolarHBondContact O-N 3.23Å; T765-H768 WeakPolarHBondContact O-CB 3.28Å; T765-H768 PolarHBondContact O-N 2.94Å; L766-H768 VanDerWaalsContact C-N 3.35Å; H768-V770 VanDerWaalsContact C-N 3.31Å; H768-V770 PolarHBondContact O-N 3.36Å; H768-N771 WeakPolarHBondContact O-CB 3.2Å; H768-N771 PolarHBondContact O-N 3.39Å; H768-E772 PolarHBondContact O-N 3.22Å
769V92.9Very high90.2Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-59.2-42.1178.7166.60000111.5A737 T741 L745 T765 L766 E772 L773A737-V769 HydrophobicContact CB-CG1 4.27Å; T741-V769 HydrophobicContact CG2-CG1 4.32Å; T741-V769 HydrophobicContact CG2-CG2 3.85Å; L745-V769 HydrophobicContact CD1-CG2 4.26Å; T765-V769 HydrophobicContact CG2-CG2 4.27Å; T765-V769 WeakPolarHBondContact O-CG2 3.36Å; T765-V769 PolarHBondContact O-N 3.3Å; L766-V769 PolarHBondContact O-N 2.99Å; V769-E772 PolarHBondContact O-N 2.88Å; V769-L773 HydrophobicContact CG1-CD1 4.03Å; V769-L773 HydrophobicContact CG1-CG 4.44Å; V769-L773 VanDerWaalsContact O-CG 3.29Å; V769-L773 WeakPolarHBondContact O-CG 3.42Å; V769-L773 PolarHBondContact O-N 2.79Å
770V91.5Very high89.1Confident1 Ų145.6 Ų45.61%0.00624%0.242CC..Hα-helixtrans-69.4-35.6179.4165.80000112R742 L766 C767 H768 L773 S774 V787 C790 L832R742-V770 HydrophobicContact CG-CG2 4.23Å; L766-V770 HydrophobicContact CD1-CG2 4.15Å; L766-V770 WeakPolarHBondContact O-CB 3.45Å; L766-V770 WeakPolarHBondContact O-CG2 3.38Å; L766-V770 PolarHBondContact O-N 2.94Å; C767-V770 PolarHBondContact O-N 3.13Å; H768-V770 VanDerWaalsContact C-N 3.31Å; H768-V770 PolarHBondContact O-N 3.36Å; V770-L773 PolarHBondContact O-N 2.91Å; V770-S774 WeakPolarHBondContact O-CB 3.39Å; V770-S774 PolarHBondContact O-N 3.43Å; V770-V787 HydrophobicContact CG1-CB 4.16Å; V770-V787 HydrophobicContact CG1-CG1 4.47Å; V770-V787 HydrophobicContact CG1-CG2 3.82Å; V770-C790 HydrophobicContact CG1-CB 4.36Å; V770-C790 HydrophobicContact CG2-CB 4.18Å; V770-L832 HydrophobicContact CG1-CD2 4.37Å
771N91Very high88Confident22 Ų2248.8 Ų48.812%0.11826%0.264CS..Hα-helixtrans-61.2-48.2172.6-70-12.4000110.7C767 H768 L773 S774 T775 T831 L832 R833C767-N771 WeakPolarHBondContact O-CB 3.12Å; C767-N771 PolarHBondContact O-N 3Å; C767-N771 PolarHBondContact O-ND2 2.81Å; C767-N771 PolarHBondContact O-OD1 3.47Å; H768-N771 WeakPolarHBondContact O-CB 3.2Å; H768-N771 PolarHBondContact O-N 3.39Å; N771-L773 PolarHBondContact O-N 3.2Å; N771-S774 WeakPolarHBondContact O-CB 3.49Å; N771-S774 PolarHBondContact O-N 3.45Å; N771-S774 VanDerWaalsContact O-N 3.09Å; N771-S774 PolarHBondContact O-OG 2.95Å; N771-T775 PolarHBondContact O-N 3.1Å; N771-T831 PolarHBondContact ND2-O 3.14Å; N771-L832 WeakPolarHBondContact OD1-CA 3.36Å; N771-R833 PolarHBondContact OD1-N 3.34Å; N771-R833 PolarHBondContact OD1-O 3.06Å
772E89.5Confident87Confident91 Ų9149.3 Ų49.343%0.42527%0.271SS..Hα-helixtrans-61.9-41.1176.4-71.7-57.4126.400112.3A737 H768 V769 S774 T775A737-E772 HydrophobicContact CB-CB 3.71Å; H768-E772 PolarHBondContact O-N 3.22Å; V769-E772 PolarHBondContact O-N 2.88Å; E772-S774 PolarHBondContact O-N 3.43Å; E772-T775 PolarHBondContact O-N 3.26Å; E772-T775 PolarHBondContact O-OG1 3.28Å
773L87.3Confident85.9Confident36 Ų3649.5 Ų49.519%0.18827%0.272CS..Hα-helixtrans-65.4-29.5174.4-69.7174.7000112.7A737 V769 V770 N771 L776A737-L773 HydrophobicContact CB-CD2 4.41Å; A737-L773 HydrophobicContact CB-CG 4.39Å; V769-L773 HydrophobicContact CG1-CD1 4.03Å; V769-L773 HydrophobicContact CG1-CG 4.44Å; V769-L773 VanDerWaalsContact O-CG 3.29Å; V769-L773 WeakPolarHBondContact O-CG 3.42Å; V769-L773 PolarHBondContact O-N 2.79Å; V770-L773 PolarHBondContact O-N 2.91Å; N771-L773 PolarHBondContact O-N 3.2Å; L773-L776 HydrophobicContact CD2-CD1 4.34Å
774S85.3Confident84.7Confident10 Ų1051.2 Ų51.27%0.0729%0.285CS..Hα-helixtrans-71.4-31.9178.884.80000112.6V770 N771 E772 L776 S777 R833V770-S774 WeakPolarHBondContact O-CB 3.39Å; V770-S774 PolarHBondContact O-N 3.43Å; N771-S774 WeakPolarHBondContact O-CB 3.49Å; N771-S774 PolarHBondContact O-N 3.45Å; N771-S774 VanDerWaalsContact O-N 3.09Å; N771-S774 PolarHBondContact O-OG 2.95Å; E772-S774 PolarHBondContact O-N 3.43Å; S774-L776 PolarHBondContact O-N 2.86Å; S774-S777 PolarHBondContact O-N 3.48Å; S774-S777 VanDerWaalsContact O-N 3.11Å; S774-R833 PolarHBondContact OG-O 3.22Å
775T83.7Confident83.6Confident87 Ų8751 Ų5153%0.53430%0.295SS..Hα-helixtrans-68.1-25179.165.50000112.1N771 E772 S777N771-T775 PolarHBondContact O-N 3.1Å; E772-T775 PolarHBondContact O-N 3.26Å; E772-T775 PolarHBondContact O-OG1 3.28Å; T775-S777 VanDerWaalsContact C-N 3.32Å
776L80.1Confident82.6Confident132 Ų13253.2 Ų53.269%0.69131%0.308SS*.THydrogen-bonded Turntrans-76.1-17.3174.6-65.8163.3000113.1L773 S774L773-L776 HydrophobicContact CD2-CD1 4.34Å; S774-L776 PolarHBondContact O-N 2.86Å
777S75.3Confident81.7Confident42 Ų4253.2 Ų53.229%0.29431%0.308SS..  trans-89.2113.2-179.9178.80000111.2S774 T775 N779S774-S777 PolarHBondContact O-N 3.48Å; S774-S777 VanDerWaalsContact O-N 3.11Å; T775-S777 VanDerWaalsContact C-N 3.32Å; S777-N779 PolarHBondContact O-N 3.46Å; S777-N779 PolarHBondContact OG-O 3.5Å
778N72.4Confident80.7Confident166 Ų16654.2 Ų54.289%0.88831%0.314SS*.SBendtrans-69.7-11.4177.1-71-17.8000114.1
779N79.4Confident80Confident77 Ų7753.1 Ų53.141%0.41232%0.315SS..  trans-103.9111.8178.7-171.2-14.3000110.7S777 T781 V782 A783S777-N779 PolarHBondContact O-N 3.46Å; S777-N779 PolarHBondContact OG-O 3.5Å; N779-T781 VanDerWaalsContact C-N 3.29Å; N779-T781 PolarHBondContact O-N 3.02Å; N779-T781 PolarHBondContact OD1-N 3.4Å; N779-T781 VanDerWaalsContact OD1-N 3.16Å; N779-T781 PolarHBondContact OD1-OG1 2.89Å; N779-V782 HydrophobicContact CB-CB 4.2Å; N779-V782 HydrophobicContact CB-CG2 4.11Å; N779-V782 PolarHBondContact O-N 3.3Å; N779-A783 WeakPolarHBondContact O-CB 3.47Å; N779-A783 PolarHBondContact O-N 3.49Å
780P73Confident79.4Confident57 Ų5753.2 Ų53.237%0.3732%0.316SS..Hα-helixtrans-64.6-29.3-176.823.4-31.8000113.4A783 S784P780-A783 PolarHBondContact O-N 3.27Å; P780-S784 VanDerWaalsContact O-CB 3.3Å; P780-S784 WeakPolarHBondContact O-CB 3.3Å; P780-S784 PolarHBondContact O-N 3.32Å
781T76Confident79.3Confident100 Ų10053.2 Ų53.261%0.61332%0.316SS*.Hα-helixtrans-71.6-42179.161.20000111.4N779 S784 A785N779-T781 VanDerWaalsContact C-N 3.29Å; N779-T781 PolarHBondContact O-N 3.02Å; N779-T781 PolarHBondContact OD1-N 3.4Å; N779-T781 VanDerWaalsContact OD1-N 3.16Å; N779-T781 PolarHBondContact OD1-OG1 2.89Å; T781-S784 PolarHBondContact O-N 3.41Å; T781-A785 PolarHBondContact O-N 2.88Å
782V76.1Confident79.3Confident73 Ų7353.4 Ų53.444%0.44232%0.317SS..Hα-helixtrans-68.1-39.8174.8179.20000110.4N779 A785 T786N779-V782 HydrophobicContact CB-CB 4.2Å; N779-V782 HydrophobicContact CB-CG2 4.11Å; N779-V782 PolarHBondContact O-N 3.3Å; V782-A785 PolarHBondContact O-N 3.02Å; V782-T786 WeakPolarHBondContact O-CB 3.37Å; V782-T786 PolarHBondContact O-N 3.43Å; V782-T786 PolarHBondContact O-OG1 2.96Å
783A74Confident79.3Confident3 Ų352.4 Ų52.43%0.02532%0.318CS..Hα-helixtrans-59.7-48.4175.100000110.9N779 P780 A785 T786 V787 V834N779-A783 WeakPolarHBondContact O-CB 3.47Å; N779-A783 PolarHBondContact O-N 3.49Å; P780-A783 PolarHBondContact O-N 3.27Å; A783-A785 PolarHBondContact O-N 3.07Å; A783-T786 WeakPolarHBondContact O-CB 3.41Å; A783-T786 PolarHBondContact O-N 2.87Å; A783-V787 WeakPolarHBondContact O-CB 3.47Å; A783-V787 VanDerWaalsContact O-CG2 3.22Å; A783-V787 WeakPolarHBondContact O-CG2 3.37Å; A783-V787 PolarHBondContact O-N 3.33Å; A783-V834 HydrophobicContact CB-CG1 4.25Å
784S73.2Confident79.5Confident37 Ų3751.3 Ų51.326%0.25931%0.312SS..Hα-helixtrans-61.2-44.1177.4179.60000113.1P780 T781 T786 V787 T788P780-S784 VanDerWaalsContact O-CB 3.3Å; P780-S784 WeakPolarHBondContact O-CB 3.3Å; P780-S784 PolarHBondContact O-N 3.32Å; T781-S784 PolarHBondContact O-N 3.41Å; S784-T786 VanDerWaalsContact C-N 3.33Å; S784-T786 PolarHBondContact O-N 3.49Å; S784-V787 PolarHBondContact O-N 3.06Å; S784-T788 WeakPolarHBondContact O-CB 3.38Å; S784-T788 PolarHBondContact O-N 3.4Å; S784-T788 PolarHBondContact O-OG1 3.4Å
785A74.9Confident79.9Confident59 Ų5951 Ų5149%0.48831%0.31SS..Hα-helixtrans-64-38.4175.300000112.3T781 V782 A783 S789T781-A785 PolarHBondContact O-N 2.88Å; V782-A785 PolarHBondContact O-N 3.02Å; A783-A785 PolarHBondContact O-N 3.07Å; A785-S789 WeakPolarHBondContact O-CB 2.91Å; A785-S789 PolarHBondContact O-N 2.7Å; A785-S789 PolarHBondContact O-OG 3.33Å
786T74.2Confident80.2Confident45 Ų4549.2 Ų49.228%0.27629%0.293SS..Hα-helixtrans-66-40.2178.2-57.10000111.6R742 V782 A783 S784 S789R742-T786 VanDerWaalsContact NH1-CG2 3.27Å; R742-T786 PolarHBondContact NH1-O 3.04Å; R742-T786 PolarHBondContact NH2-O 3.29Å; V782-T786 WeakPolarHBondContact O-CB 3.37Å; V782-T786 PolarHBondContact O-N 3.43Å; V782-T786 PolarHBondContact O-OG1 2.96Å; A783-T786 WeakPolarHBondContact O-CB 3.41Å; A783-T786 PolarHBondContact O-N 2.87Å; S784-T786 VanDerWaalsContact C-N 3.33Å; S784-T786 PolarHBondContact O-N 3.49Å; T786-S789 PolarHBondContact O-OG 3.15Å
787V77.6Confident80.7Confident0 Ų048.7 Ų48.70%029%0.287CS..Hα-helixtrans-68.4-47.2178.1169.10000111.1V770 A783 S784 S789 C790 L832 V834 P839V770-V787 HydrophobicContact CG1-CB 4.16Å; V770-V787 HydrophobicContact CG1-CG1 4.47Å; V770-V787 HydrophobicContact CG1-CG2 3.82Å; A783-V787 WeakPolarHBondContact O-CB 3.47Å; A783-V787 VanDerWaalsContact O-CG2 3.22Å; A783-V787 WeakPolarHBondContact O-CG2 3.37Å; A783-V787 PolarHBondContact O-N 3.33Å; S784-V787 PolarHBondContact O-N 3.06Å; V787-S789 VanDerWaalsContact C-N 3.35Å; V787-S789 PolarHBondContact O-N 3.48Å; V787-C790 VanDerWaalsContact O-CB 3.25Å; V787-C790 WeakPolarHBondContact O-CB 3.22Å; V787-C790 PolarHBondContact O-N 3.47Å; V787-L832 HydrophobicContact CG1-CB 3.81Å; V787-L832 HydrophobicContact CG1-CD1 3.92Å; V787-L832 HydrophobicContact CG1-CD2 4.04Å; V787-L832 HydrophobicContact CG1-CG 4.14Å; V787-V834 HydrophobicContact CB-CG2 4Å; V787-V834 HydrophobicContact CG1-CG2 4.17Å; V787-V834 HydrophobicContact CG2-CG2 3.77Å; V787-P839 HydrophobicContact CG1-CG 3.76Å
788T74Confident81.3Confident21 Ų2148.6 Ų48.613%0.12928%0.283CS..Hα-helixtrans-74.2-26.2-175.8-45.40000112.5S784 C790 L792 D841 I842S784-T788 WeakPolarHBondContact O-CB 3.38Å; S784-T788 PolarHBondContact O-N 3.4Å; S784-T788 PolarHBondContact O-OG1 3.4Å; T788-C790 PolarHBondContact O-N 2.98Å; T788-L792 HydrophobicContact CG2-CD2 3.9Å; T788-L792 WeakPolarHBondContact O-CB 3.39Å; T788-D841 HydrophobicContact CG2-CB 4.33Å; T788-I842 HydrophobicContact CG2-CD1 4.39Å
789S77.8Confident82.2Confident56 Ų5641.9 Ų41.939%0.39225%0.246SC..THydrogen-bonded Turntrans-77.611.5175.160.60000114.8R742 A785 T786 V787R742-S789 PolarHBondContact NH2-O 2.93Å; R742-S789 PolarHBondContact NH2-OG 3.39Å; A785-S789 WeakPolarHBondContact O-CB 2.91Å; A785-S789 PolarHBondContact O-N 2.7Å; A785-S789 PolarHBondContact O-OG 3.33Å; T786-S789 PolarHBondContact O-OG 3.15Å; V787-S789 VanDerWaalsContact C-N 3.35Å; V787-S789 PolarHBondContact O-N 3.48Å
790C81.8Confident82.4Confident3 Ų339.2 Ų39.22%0.0223%0.233CC..THydrogen-bonded Turntrans-88.7-90-177.5-177.70000112.1L766 V770 V787 T788 M794L766-C790 WeakPolarHBondContact CD2-SG 3.4Å; L766-C790 WeakPolarHBondContact CG-SG 3.46Å; V770-C790 HydrophobicContact CG1-CB 4.36Å; V770-C790 HydrophobicContact CG2-CB 4.18Å; V787-C790 VanDerWaalsContact O-CB 3.25Å; V787-C790 WeakPolarHBondContact O-CB 3.22Å; V787-C790 PolarHBondContact O-N 3.47Å; T788-C790 PolarHBondContact O-N 2.98Å; C790-M794 WeakPolarHBondContact O-CE 3.22Å
791L89.7Confident82.7Confident0 Ų037.8 Ų37.80%023%0.225CC..Hα-helixtrans-81.7-29.2-176.3-81.3176.8000113.6I749 C763 L766 C767 M794 F795 M825 A828 L829I749-L791 HydrophobicContact CD1-CD2 3.93Å; C763-L791 HydrophobicContact CB-CD1 4.25Å; C763-L791 HydrophobicContact CB-CD2 4.31Å; L766-L791 HydrophobicContact CD2-CD2 3.96Å; L766-L791 HydrophobicContact CD2-CG 4.19Å; C767-L791 WeakPolarHBondContact SG-CD1 3.43Å; L791-M794 HydrophobicContact CD2-CE 4.16Å; L791-M794 WeakPolarHBondContact O-CB 3.39Å; L791-M794 PolarHBondContact O-N 2.79Å; L791-M794 VanDerWaalsContact O-N 3.12Å; L791-F795 PolarHBondContact O-N 2.89Å; L791-M825 HydrophobicContact CD2-CE 3.97Å; L791-A828 HydrophobicContact CD1-CB 3.78Å; L791-L829 HydrophobicContact CB-CD2 3.51Å; L791-L829 HydrophobicContact CB-CG 4Å; L791-L829 HydrophobicContact CD1-CD2 4.31Å; L791-L829 HydrophobicContact CD1-CG 4.23Å
792L89.9Confident82.6Confident27 Ų2738.4 Ų38.414%0.14123%0.231CC..Hα-helixtrans-61.8-44.8-173.8-169.668.2000112.9T788 M794 F795 W796 F845T788-L792 HydrophobicContact CG2-CD2 3.9Å; T788-L792 WeakPolarHBondContact O-CB 3.39Å; L792-M794 VanDerWaalsContact C-N 3.29Å; L792-M794 PolarHBondContact O-N 3.47Å; L792-F795 WeakPolarHBondContact O-CB 3.45Å; L792-F795 PolarHBondContact O-N 3.15Å; L792-W796 PolarHBondContact O-N 3.45Å; L792-W796 VanDerWaalsContact O-N 3.13Å; L792-F845 HydrophobicContact CD1-CB 4.32Å; L792-F845 HydrophobicContact CD1-CD1 3.67Å; L792-F845 HydrophobicContact CD1-CD2 3.62Å; L792-F845 HydrophobicContact CD1-CE1 3.77Å; L792-F845 HydrophobicContact CD1-CE2 3.72Å; L792-F845 HydrophobicContact CD1-CG 3.57Å; L792-F845 HydrophobicContact CD1-CZ 3.77Å
793P89.1Confident82.7Confident69 Ų6939.3 Ų39.345%0.44825%0.245SC..Hα-helixtrans-62.4-36.3173.9-22.434.8000113W796 Q797P793-W796 PolarHBondContact O-N 2.9Å; P793-Q797 WeakPolarHBondContact O-CB 3.14Å; P793-Q797 PolarHBondContact O-N 3.45Å
794M92Very high82.7Confident13 Ų1341.1 Ų41.16%0.06426%0.26CS..Hα-helixtrans-67.5-39176.9-67.7-169.9-102.600111.5I749 L750 L766 C790 L791 L792 W796 Q797 L798 M825I749-M794 HydrophobicContact CB-SD 4.48Å; I749-M794 HydrophobicContact CG2-SD 4.32Å; L750-M794 HydrophobicContact CD1-CG 4.28Å; L750-M794 HydrophobicContact CD1-SD 4.13Å; L750-M794 HydrophobicContact CD2-CB 4.1Å; L750-M794 HydrophobicContact CD2-CG 4.04Å; L750-M794 HydrophobicContact CD2-SD 4.18Å; L750-M794 HydrophobicContact CG-CG 4.31Å; L750-M794 HydrophobicContact CG-SD 3.92Å; L766-M794 HydrophobicContact CD2-CE 3.57Å; C790-M794 WeakPolarHBondContact O-CE 3.22Å; L791-M794 HydrophobicContact CD2-CE 4.16Å; L791-M794 WeakPolarHBondContact O-CB 3.39Å; L791-M794 PolarHBondContact O-N 2.79Å; L791-M794 VanDerWaalsContact O-N 3.12Å; L792-M794 VanDerWaalsContact C-N 3.29Å; L792-M794 PolarHBondContact O-N 3.47Å; M794-W796 VanDerWaalsContact C-N 3.34Å; M794-W796 PolarHBondContact O-N 3.49Å; M794-Q797 WeakPolarHBondContact O-CB 3.39Å; M794-Q797 PolarHBondContact O-N 2.69Å; M794-L798 WeakPolarHBondContact O-CG 3.39Å; M794-L798 PolarHBondContact O-N 2.89Å; M794-M825 HydrophobicContact CB-CE 3.91Å
795F93.2Very high82.5Confident4 Ų450 Ų502%0.01829%0.288CS..Hα-helixtrans-58.6-49.7175-176.9-83.4000110.1L791 L792 Q797 L798 F799 Q822 M825 V826 F845 L849L791-F795 PolarHBondContact O-N 2.89Å; L792-F795 WeakPolarHBondContact O-CB 3.45Å; L792-F795 PolarHBondContact O-N 3.15Å; F795-Q797 VanDerWaalsContact C-N 3.32Å; F795-Q797 PolarHBondContact O-N 3.09Å; F795-L798 PolarHBondContact O-N 3.01Å; F795-F799 HydrophobicContact CD1-CB 4.4Å; F795-F799 HydrophobicContact CD1-CD2 4.42Å; F795-F799 AromaticContact CD2-CD2 3.69Å; F795-F799 HydrophobicContact CD2-CD2 3.69Å; F795-F799 HydrophobicContact CD2-CE2 4.21Å; F795-F799 HydrophobicContact CE1-CB 4.03Å; F795-F799 HydrophobicContact CE1-CD2 4.48Å; F795-F799 AromaticContact CE2-CD2 3.78Å; F795-F799 HydrophobicContact CE2-CD2 3.78Å; F795-F799 HydrophobicContact CE2-CE2 4.37Å; F795-F799 HydrophobicContact CE2-CG 4.42Å; F795-F799 HydrophobicContact CG-CD2 4.04Å; F795-F799 HydrophobicContact CZ-CB 4.15Å; F795-F799 HydrophobicContact CZ-CD2 4.17Å; F795-F799 HydrophobicContact CZ-CG 4.42Å; F795-F799 WeakPolarHBondContact O-CB 3.21Å; F795-F799 WeakPolarHBondContact O-CD2 3.23Å; F795-F799 PolarHBondContact O-N 2.8Å; F795-Q822 HydrophobicContact CE2-CG 3.97Å; F795-Q822 HydrophobicContact CZ-CG 4.4Å; F795-M825 HydrophobicContact CB-CE 3.94Å; F795-M825 HydrophobicContact CD2-CB 4.28Å; F795-V826 HydrophobicContact CE2-CG2 4.08Å; F795-F845 AromaticContact CD1-CE2 3.91Å; F795-F845 HydrophobicContact CD1-CE2 3.91Å; F795-F845 AromaticContact CD1-CZ 3.5Å; F795-F845 HydrophobicContact CD1-CZ 3.5Å; F795-F845 HydrophobicContact CD2-CZ 4.22Å; F795-F845 AromaticContact CE1-CE2 3.95Å; F795-F845 HydrophobicContact CE1-CE2 3.95Å; F795-F845 AromaticContact CE1-CZ 3.59Å; F795-F845 HydrophobicContact CE1-CZ 3.59Å; F795-F845 HydrophobicContact CE2-CZ 4.28Å; F795-F845 AromaticContact CG-CZ 3.84Å; F795-F845 HydrophobicContact CG-CZ 3.84Å; F795-F845 AromaticContact CZ-CZ 3.99Å; F795-F845 HydrophobicContact CZ-CZ 3.99Å; F795-L849 HydrophobicContact CE1-CD1 4.44Å; F795-L849 HydrophobicContact CE1-CD2 4.03Å; F795-L849 HydrophobicContact CE2-CD1 4.5Å; F795-L849 HydrophobicContact CZ-CD1 3.97Å; F795-L849 HydrophobicContact CZ-CD2 3.98Å
796W90.3Very high82.5Confident50 Ų5049 Ų4919%0.18928%0.284CS..Hα-helixtrans-65.3-35.5177.5-67.1121.6000112.7L792 P793 M794 L798 S800 G806 I808 F845L792-W796 PolarHBondContact O-N 3.45Å; L792-W796 VanDerWaalsContact O-N 3.13Å; P793-W796 PolarHBondContact O-N 2.9Å; M794-W796 VanDerWaalsContact C-N 3.34Å; M794-W796 PolarHBondContact O-N 3.49Å; W796-L798 VanDerWaalsContact C-N 3.28Å; W796-L798 PolarHBondContact O-N 3.3Å; W796-S800 WeakPolarHBondContact O-CB 2.99Å; W796-S800 PolarHBondContact O-N 3.32Å; W796-S800 PolarHBondContact O-OG 2.76Å; W796-G806 WeakPolarHBondContact CH2-O 3.39Å; W796-I808 HydrophobicContact CH2-CG1 3.72Å; W796-I808 HydrophobicContact CZ3-CG1 4.09Å; W796-F845 AromaticContact CE2-CE2 3.86Å; W796-F845 HydrophobicContact CH2-CD2 4.41Å; W796-F845 AromaticContact CH2-CE2 3.98Å; W796-F845 HydrophobicContact CH2-CE2 3.98Å; W796-F845 AromaticContact CZ2-CD2 3.68Å; W796-F845 HydrophobicContact CZ2-CD2 3.68Å; W796-F845 AromaticContact CZ2-CE2 3.47Å; W796-F845 HydrophobicContact CZ2-CE2 3.47Å; W796-F845 VanDerWaalsContact CZ2-CE2 3.47Å
797Q89.8Confident82.8Confident121 Ų12151.5 Ų51.557%0.56530%0.295SS*.Hα-helixtrans-59.6-39.7174.7179.4179.3-16.600112.3P793 M794 F795P793-Q797 WeakPolarHBondContact O-CB 3.14Å; P793-Q797 PolarHBondContact O-N 3.45Å; M794-Q797 WeakPolarHBondContact O-CB 3.39Å; M794-Q797 PolarHBondContact O-N 2.69Å; F795-Q797 VanDerWaalsContact C-N 3.32Å; F795-Q797 PolarHBondContact O-N 3.09Å
798L89.5Confident82.8Confident39 Ų3953.7 Ų53.720%0.20431%0.306CS..Hα-helixtrans-87.5-36.3-175.6-65.4174.8000113.2L750 M794 F795 W796 F818 L821 M825L750-L798 HydrophobicContact CD2-CD1 4.13Å; L750-L798 HydrophobicContact CD2-CD2 4.18Å; L750-L798 HydrophobicContact CD2-CG 4.12Å; M794-L798 WeakPolarHBondContact O-CG 3.39Å; M794-L798 PolarHBondContact O-N 2.89Å; F795-L798 PolarHBondContact O-N 3.01Å; W796-L798 VanDerWaalsContact C-N 3.28Å; W796-L798 PolarHBondContact O-N 3.3Å; L798-F818 HydrophobicContact CD2-CE1 4.43Å; L798-L821 HydrophobicContact CD1-CD2 4.07Å; L798-M825 HydrophobicContact CD1-SD 4.2Å
799F90.1Very high83.3Confident26 Ų2658.5 Ų58.511%0.11432%0.322CS..Hα-helixtrans-121.5-0.6-165.9-54.3-68.5000114.7F795 R809 F818 Q822 M825F795-F799 HydrophobicContact CD1-CB 4.4Å; F795-F799 HydrophobicContact CD1-CD2 4.42Å; F795-F799 AromaticContact CD2-CD2 3.69Å; F795-F799 HydrophobicContact CD2-CD2 3.69Å; F795-F799 HydrophobicContact CD2-CE2 4.21Å; F795-F799 HydrophobicContact CE1-CB 4.03Å; F795-F799 HydrophobicContact CE1-CD2 4.48Å; F795-F799 AromaticContact CE2-CD2 3.78Å; F795-F799 HydrophobicContact CE2-CD2 3.78Å; F795-F799 HydrophobicContact CE2-CE2 4.37Å; F795-F799 HydrophobicContact CE2-CG 4.42Å; F795-F799 HydrophobicContact CG-CD2 4.04Å; F795-F799 HydrophobicContact CZ-CB 4.15Å; F795-F799 HydrophobicContact CZ-CD2 4.17Å; F795-F799 HydrophobicContact CZ-CG 4.42Å; F795-F799 WeakPolarHBondContact O-CB 3.21Å; F795-F799 WeakPolarHBondContact O-CD2 3.23Å; F795-F799 PolarHBondContact O-N 2.8Å; F799-R809 WeakPolarHBondContact O-CB 3.28Å; F799-F818 HydrophobicContact CE1-CB 4.13Å; F799-F818 HydrophobicContact CE1-CG 4.45Å; F799-Q822 HydrophobicContact CD1-CB 4.43Å; F799-Q822 HydrophobicContact CD1-CG 4.31Å; F799-Q822 HydrophobicContact CD2-CG 4.36Å; F799-Q822 HydrophobicContact CE1-CB 3.82Å; F799-Q822 HydrophobicContact CE1-CG 4.19Å; F799-Q822 HydrophobicContact CE2-CB 4.04Å; F799-Q822 HydrophobicContact CE2-CG 4.25Å; F799-Q822 HydrophobicContact CG-CG 4.41Å; F799-Q822 HydrophobicContact CZ-CB 3.6Å; F799-Q822 HydrophobicContact CZ-CG 4.17Å; F799-M825 HydrophobicContact CE2-SD 3.74Å
800S84.7Confident83.7Confident20 Ų2058.3 Ų58.314%0.1432%0.315CS..BIsolated β-bridgetrans-69.4156.6176.165.10000113.2W796W796-S800 WeakPolarHBondContact O-CB 2.99Å; W796-S800 PolarHBondContact O-N 3.32Å; W796-S800 PolarHBondContact O-OG 2.76Å
801S79.2Confident84.2Confident28 Ų2858.8 Ų58.820%0.19632%0.317CS..  trans-60135.7170.2-178.80000111.2A803 A804 L807S801-A803 PolarHBondContact O-N 3.43Å; S801-A803 VanDerWaalsContact O-N 3.12Å; S801-A803 PolarHBondContact OG-N 2.76Å; S801-A804 CarbonylContact O-C 3.51Å; S801-A804 PolarHBondContact O-N 2.96Å; S801-A804 VanDerWaalsContact O-O 3.08Å; S801-L807 PolarHBondContact N-O 2.66Å
802P74.4Confident84.3Confident113 Ų11362.5 Ų62.573%0.73434%0.337SS*.THydrogen-bonded Turntrans-58.5-24.7172.9-22.232000113.5
803A77Confident84.5Confident91 Ų9161.2 Ų61.275%0.75233%0.33SS*.THydrogen-bonded Turntrans-74.6-34.1-176.900000113.1S801S801-A803 PolarHBondContact O-N 3.43Å; S801-A803 VanDerWaalsContact O-N 3.12Å; S801-A803 PolarHBondContact OG-N 2.76Å
804A74.2Confident84.8Confident41 Ų4161.8 Ų61.834%0.33933%0.333SS..SBendtrans-157.8134.5173.700000111.1S801 G806 L807S801-A804 CarbonylContact O-C 3.51Å; S801-A804 PolarHBondContact O-N 2.96Å; S801-A804 VanDerWaalsContact O-O 3.08Å; A804-G806 PolarHBondContact O-N 3.36Å; A804-L807 HydrophobicContact CB-CD1 3.7Å; A804-L807 HydrophobicContact CB-CG 4.06Å; A804-L807 PolarHBondContact O-N 3.05Å
805R69.6Low84.9Confident223 Ų22364.2 Ų64.284%0.84235%0.346SS*.THydrogen-bonded Turntrans-63.5135172-78.3-174.1173.1177.8-1.9110
806G74.5Confident85Confident38 Ų3867.5 Ų67.539%0.39236%0.363SS..THydrogen-bonded Turntrans91-3.5-178.900000114.8W796 A804W796-G806 WeakPolarHBondContact CH2-O 3.39Å; A804-G806 PolarHBondContact O-N 3.36Å
807L79.3Confident85.2Confident98 Ų9869.1 Ų69.151%0.51337%0.373SS..PPolyproline II helixtrans-88.9132.2169.4-69.3-179.4000110.8S801 A804 R809S801-L807 PolarHBondContact N-O 2.66Å; A804-L807 HydrophobicContact CB-CD1 3.7Å; A804-L807 HydrophobicContact CB-CG 4.06Å; A804-L807 PolarHBondContact O-N 3.05Å; L807-R809 PolarHBondContact O-N 2.84Å
808I79.2Confident85.4Confident47 Ų4765.7 Ų65.724%0.24136%0.356CS..BIsolated β-bridgetrans-63.6127173.5-59.7168.4000107.9W796 D848 L849 H852W796-I808 HydrophobicContact CH2-CG1 3.72Å; W796-I808 HydrophobicContact CZ3-CG1 4.09Å; I808-D848 VanDerWaalsContact CD1-C 3.48Å; I808-D848 HydrophobicContact CD1-CB 4.11Å; I808-D848 VanDerWaalsContact CD1-O 3.22Å; I808-D848 WeakPolarHBondContact CD1-O 3.45Å; I808-L849 HydrophobicContact CD1-CD2 4.05Å; I808-L849 HydrophobicContact CG1-CD2 3.98Å; I808-L849 HydrophobicContact CG2-CD2 4.16Å; I808-H852 HydrophobicContact CD1-CB 3.76Å
809R83.1Confident85.7Confident122 Ų12264 Ų6446%0.4635%0.347SS..PPolyproline II helixtrans-88.6149.1177.5-170.2-174.4170.9168.8-1109F799 L807F799-R809 WeakPolarHBondContact O-CB 3.28Å; L807-R809 PolarHBondContact O-N 2.84Å
810Q87.6Confident86.1Confident51 Ų5164.1 Ų64.124%0.23835%0.348CS..PPolyproline II helixtrans-52.8140.9163.8-173.9169.54200111.8D854 S856 R857Q810-D854 HydrophobicContact CG-CB 4.29Å; Q810-D854 WeakPolarHBondContact CG-O 3.29Å; Q810-D854 PolarHBondContact NE2-OD1 3.19Å; Q810-D854 VanDerWaalsContact NE2-OD1 3.12Å; Q810-D854 PolarHBondContact NE2-OD2 2.95Å; Q810-S856 PolarHBondContact NE2-OG 2.98Å; Q810-R857 VanDerWaalsContact NE2-N 3.12Å
811N91.1Very high86.6Confident13 Ų1363.2 Ų63.27%0.0734%0.341CS..PPolyproline II helixtrans-61139.6-177-73.3-27.1000112.2F813 N853 D854 N855 N858N811-F813 HydrophobicContact CB-CE1 3.86Å; N811-F813 HydrophobicContact CB-CE2 4.39Å; N811-F813 HydrophobicContact CB-CZ 3.74Å; N811-N853 PolarHBondContact ND2-OD1 2.9Å; N811-D854 PolarHBondContact N-O 3.46Å; N811-N855 WeakPolarHBondContact CB-OD1 3.38Å; N811-N855 PolarHBondContact ND2-OD1 3.23Å; N811-N858 HydrophobicContact CB-CB 4.16Å; N811-N858 WeakPolarHBondContact O-CB 3.47Å
812N91.9Very high87.4Confident78 Ų7862.8 Ų62.842%0.41734%0.336SS..  trans-143.7101.1169.9179.65.9000110T814N812-T814 WeakPolarHBondContact OD1-CB 3.45Å; N812-T814 VanDerWaalsContact OD1-CG2 3.26Å; N812-T814 WeakPolarHBondContact OD1-CG2 3.44Å; N812-T814 PolarHBondContact OD1-N 2.9Å; N812-T814 VanDerWaalsContact OD1-N 3.13Å; N812-T814 PolarHBondContact OD1-OG1 2.98Å
813F94.7Very high88.5Confident0 Ų058.4 Ų58.40%031%0.305CS..  trans-98.217.9-178-51.7-28.5000113.6I365 N811 N815 Y819 N858 Y860 D862 Y865I365-F813 HydrophobicContact CD1-CB 3.69Å; N811-F813 HydrophobicContact CB-CE1 3.86Å; N811-F813 HydrophobicContact CB-CE2 4.39Å; N811-F813 HydrophobicContact CB-CZ 3.74Å; F813-N815 PolarHBondContact O-N 3.15Å; F813-Y819 HydrophobicContact CB-CD2 4Å; F813-Y819 HydrophobicContact CB-CG 4.37Å; F813-Y819 AromaticContact CD1-CD2 3.65Å; F813-Y819 HydrophobicContact CD1-CD2 3.65Å; F813-Y819 HydrophobicContact CD1-CE2 4.37Å; F813-Y819 AromaticContact CD2-CD2 3.93Å; F813-Y819 HydrophobicContact CD2-CD2 3.93Å; F813-Y819 AromaticContact CD2-CE2 3.94Å; F813-Y819 HydrophobicContact CD2-CE2 3.94Å; F813-Y819 HydrophobicContact CE1-CD2 4.1Å; F813-Y819 HydrophobicContact CE2-CD2 4.38Å; F813-Y819 HydrophobicContact CE2-CE2 4.18Å; F813-Y819 AromaticContact CG-CD2 3.58Å; F813-Y819 HydrophobicContact CG-CD2 3.58Å; F813-Y819 HydrophobicContact CG-CE2 4.09Å; F813-Y819 HydrophobicContact CG-CG 4.41Å; F813-Y819 HydrophobicContact CZ-CD2 4.46Å; F813-Y819 HydrophobicContact CZ-CE2 4.48Å; F813-N858 WeakPolarHBondContact CD2-ND2 3.32Å; F813-N858 WeakPolarHBondContact CE2-ND2 3.38Å; F813-N858 WeakPolarHBondContact CG-ND2 3.42Å; F813-N858 PolarHBondContact N-OD1 2.82Å; F813-Y860 HydrophobicContact CB-CD2 3.89Å; F813-Y860 HydrophobicContact CB-CG 4.3Å; F813-D862 HydrophobicContact CE2-CB 3.89Å; F813-D862 HydrophobicContact CZ-CB 4.28Å; F813-Y865 HydrophobicContact CZ-CD1 4.07Å; F813-Y865 HydrophobicContact CZ-CG 4.18Å
814T94.4Very high89.4Confident82 Ų8254 Ų5450%0.50327%0.269SS..SBendtrans-64.6-28.8177.262.30000113.3N812 P859 Y860N812-T814 WeakPolarHBondContact OD1-CB 3.45Å; N812-T814 VanDerWaalsContact OD1-CG2 3.26Å; N812-T814 WeakPolarHBondContact OD1-CG2 3.44Å; N812-T814 PolarHBondContact OD1-N 2.9Å; N812-T814 VanDerWaalsContact OD1-N 3.13Å; N812-T814 PolarHBondContact OD1-OG1 2.98Å; T814-P859 HydrophobicContact CG2-CG 4.07Å; T814-Y860 HydrophobicContact CG2-CE2 4.16Å
815N94.6Very high90.5Very high63 Ų6352.1 Ų52.134%0.33725%0.253SS..SBendtrans-94.5101.2171.9-174.8-25.3000109.9F813 Q817 F818 Y819F813-N815 PolarHBondContact O-N 3.15Å; N815-Q817 VanDerWaalsContact C-N 3.27Å; N815-Q817 PolarHBondContact O-N 2.86Å; N815-Q817 WeakPolarHBondContact OD1-CB 3.32Å; N815-Q817 PolarHBondContact OD1-N 3.32Å; N815-F818 HydrophobicContact CB-CB 4.23Å; N815-F818 HydrophobicContact CB-CD2 4.01Å; N815-F818 VanDerWaalsContact ND2-CD2 3.28Å; N815-F818 WeakPolarHBondContact ND2-CD2 3.47Å; N815-F818 PolarHBondContact O-N 2.8Å; N815-F818 VanDerWaalsContact O-N 3.16Å; N815-F818 PolarHBondContact OD1-N 2.78Å; N815-Y819 PolarHBondContact O-N 3.35Å
816L94.7Very high91.7Very high73 Ų7341.5 Ų41.538%0.38221%0.213SC..Hα-helixtrans-59.7-34.9-177.9-59.4-175.9000113.2I365 F818 Y819 F820I365-L816 HydrophobicContact CD1-CD2 3.86Å; I365-L816 HydrophobicContact CG1-CD2 4.22Å; I365-L816 HydrophobicContact CG2-CD2 3.64Å; L816-F818 VanDerWaalsContact C-N 3.34Å; L816-F818 PolarHBondContact O-N 3.03Å; L816-Y819 WeakPolarHBondContact O-CB 3.45Å; L816-Y819 PolarHBondContact O-N 3.47Å; L816-F820 HydrophobicContact CB-CE2 4.31Å; L816-F820 WeakPolarHBondContact O-CD2 3.45Å; L816-F820 PolarHBondContact O-N 3.4Å
817Q94.9Very high92.7Very high85 Ų8541.8 Ų41.840%0.39720%0.204SC..Hα-helixtrans-64.9-42.3179-58.1-178.820.600110.9N815 L821N815-Q817 VanDerWaalsContact C-N 3.27Å; N815-Q817 PolarHBondContact O-N 2.86Å; N815-Q817 WeakPolarHBondContact OD1-CB 3.32Å; N815-Q817 PolarHBondContact OD1-N 3.32Å; Q817-L821 WeakPolarHBondContact O-CB 3.43Å; Q817-L821 PolarHBondContact O-N 2.59Å
818F94.9Very high93.5Very high48 Ų4837.1 Ų37.121%0.21118%0.179CC..Hα-helixtrans-70.2-36.6175.4-79.1-32.7000112.6E752 L798 F799 N815 L816 L821 Q822E752-F818 HydrophobicContact CG-CE1 4.18Å; E752-F818 HydrophobicContact CG-CZ 3.92Å; E752-F818 WeakPolarHBondContact OE1-CZ 3.32Å; L798-F818 HydrophobicContact CD2-CE1 4.43Å; F799-F818 HydrophobicContact CE1-CB 4.13Å; F799-F818 HydrophobicContact CE1-CG 4.45Å; N815-F818 HydrophobicContact CB-CB 4.23Å; N815-F818 HydrophobicContact CB-CD2 4.01Å; N815-F818 VanDerWaalsContact ND2-CD2 3.28Å; N815-F818 WeakPolarHBondContact ND2-CD2 3.47Å; N815-F818 PolarHBondContact O-N 2.8Å; N815-F818 VanDerWaalsContact O-N 3.16Å; N815-F818 PolarHBondContact OD1-N 2.78Å; L816-F818 VanDerWaalsContact C-N 3.34Å; L816-F818 PolarHBondContact O-N 3.03Å; F818-L821 HydrophobicContact CD1-CD2 4.43Å; F818-L821 PolarHBondContact O-N 3.09Å; F818-Q822 VanDerWaalsContact O-CB 3.26Å; F818-Q822 WeakPolarHBondContact O-CB 3.49Å; F818-Q822 PolarHBondContact O-N 3.28Å
819Y95.9Very high94.3Very high4 Ų435 Ų352%0.01617%0.168CC..Hα-helixtrans-57.3-51.2173.9168.3-109.2000112.1I365 D366 F813 N815 L816 L821 Q822 R823I365-Y819 HydrophobicContact CB-CE1 4.25Å; I365-Y819 HydrophobicContact CD1-CD1 4.18Å; I365-Y819 HydrophobicContact CD1-CE1 4.24Å; I365-Y819 HydrophobicContact CD1-CG 4.31Å; I365-Y819 HydrophobicContact CG2-CD1 4.25Å; I365-Y819 HydrophobicContact CG2-CE1 4.03Å; D366-Y819 WeakPolarHBondContact OD2-CE1 3.39Å; D366-Y819 PolarHBondContact OD2-OH 3.04Å; F813-Y819 HydrophobicContact CB-CD2 4Å; F813-Y819 HydrophobicContact CB-CG 4.37Å; F813-Y819 AromaticContact CD1-CD2 3.65Å; F813-Y819 HydrophobicContact CD1-CD2 3.65Å; F813-Y819 HydrophobicContact CD1-CE2 4.37Å; F813-Y819 AromaticContact CD2-CD2 3.93Å; F813-Y819 HydrophobicContact CD2-CD2 3.93Å; F813-Y819 AromaticContact CD2-CE2 3.94Å; F813-Y819 HydrophobicContact CD2-CE2 3.94Å; F813-Y819 HydrophobicContact CE1-CD2 4.1Å; F813-Y819 HydrophobicContact CE2-CD2 4.38Å; F813-Y819 HydrophobicContact CE2-CE2 4.18Å; F813-Y819 AromaticContact CG-CD2 3.58Å; F813-Y819 HydrophobicContact CG-CD2 3.58Å; F813-Y819 HydrophobicContact CG-CE2 4.09Å; F813-Y819 HydrophobicContact CG-CG 4.41Å; F813-Y819 HydrophobicContact CZ-CD2 4.46Å; F813-Y819 HydrophobicContact CZ-CE2 4.48Å; N815-Y819 PolarHBondContact O-N 3.35Å; L816-Y819 WeakPolarHBondContact O-CB 3.45Å; L816-Y819 PolarHBondContact O-N 3.47Å; Y819-L821 PolarHBondContact O-N 3.33Å; Y819-Q822 PolarHBondContact O-N 2.97Å; Y819-R823 VanDerWaalsContact CE1-NH1 3.34Å; Y819-R823 HydrophobicContact CE2-CG 4.39Å; Y819-R823 VanDerWaalsContact CZ-CD 3.41Å; Y819-R823 WeakPolarHBondContact O-CG 3.48Å; Y819-R823 PolarHBondContact O-N 3.34Å; Y819-R823 PolarHBondContact OH-NH1 3.02Å; Y819-R823 VanDerWaalsContact OH-NH1 3.12Å
820F97.1Very high94.7Very high29 Ų2929.1 Ų29.113%0.12715%0.146CC..Hα-helixtrans-66.5-37.3178.2-68-57.2000112.6I365 I369 Y756 M760 L816 A824I365-F820 HydrophobicContact CG2-CZ 4.33Å; I369-F820 HydrophobicContact CD1-CE2 4.08Å; I369-F820 HydrophobicContact CD1-CZ 3.64Å; Y756-F820 HydrophobicContact CD2-CB 4.01Å; Y756-F820 HydrophobicContact CD2-CD2 4.19Å; Y756-F820 HydrophobicContact CD2-CG 4.38Å; Y756-F820 HydrophobicContact CE2-CB 4.43Å; Y756-F820 HydrophobicContact CE2-CD2 4.04Å; Y756-F820 HydrophobicContact CE2-CG 4.35Å; M760-F820 HydrophobicContact SD-CB 3.91Å; L816-F820 HydrophobicContact CB-CE2 4.31Å; L816-F820 WeakPolarHBondContact O-CD2 3.45Å; L816-F820 PolarHBondContact O-N 3.4Å; F820-A824 WeakPolarHBondContact O-CB 3.3Å; F820-A824 PolarHBondContact O-N 2.59Å
821L97Very high95Very high0 Ų028.9 Ų28.90%015%0.148CC..Hα-helixtrans-65.7-45.4175.7-17763.7000112.2R759 L798 Q817 F818 Y819 R823 A824 M825R759-L821 HydrophobicContact CB-CD1 3.92Å; L798-L821 HydrophobicContact CD1-CD2 4.07Å; Q817-L821 WeakPolarHBondContact O-CB 3.43Å; Q817-L821 PolarHBondContact O-N 2.59Å; F818-L821 HydrophobicContact CD1-CD2 4.43Å; F818-L821 PolarHBondContact O-N 3.09Å; Y819-L821 PolarHBondContact O-N 3.33Å; L821-R823 VanDerWaalsContact C-N 3.31Å; L821-R823 PolarHBondContact O-N 3.12Å; L821-A824 PolarHBondContact O-N 2.86Å; L821-A824 VanDerWaalsContact O-N 3.14Å; L821-M825 HydrophobicContact CD1-CG 4.18Å; L821-M825 HydrophobicContact CD1-SD 4.46Å; L821-M825 HydrophobicContact CG-CG 4.24Å; L821-M825 HydrophobicContact CG-SD 4.07Å; L821-M825 VanDerWaalsContact O-CG 3.32Å; L821-M825 WeakPolarHBondContact O-CG 3.09Å; L821-M825 PolarHBondContact O-N 2.61Å
822Q95.6Very high95.1Very high19 Ų1928.3 Ų28.39%0.08915%0.145CC..Hα-helixtrans-56.2-48.1178.8-174.2179.2-7.400110.3F795 F799 F818 Y819 M825 V826 Y865F795-Q822 HydrophobicContact CE2-CG 3.97Å; F795-Q822 HydrophobicContact CZ-CG 4.4Å; F799-Q822 HydrophobicContact CD1-CB 4.43Å; F799-Q822 HydrophobicContact CD1-CG 4.31Å; F799-Q822 HydrophobicContact CD2-CG 4.36Å; F799-Q822 HydrophobicContact CE1-CB 3.82Å; F799-Q822 HydrophobicContact CE1-CG 4.19Å; F799-Q822 HydrophobicContact CE2-CB 4.04Å; F799-Q822 HydrophobicContact CE2-CG 4.25Å; F799-Q822 HydrophobicContact CG-CG 4.41Å; F799-Q822 HydrophobicContact CZ-CB 3.6Å; F799-Q822 HydrophobicContact CZ-CG 4.17Å; F818-Q822 VanDerWaalsContact O-CB 3.26Å; F818-Q822 WeakPolarHBondContact O-CB 3.49Å; F818-Q822 PolarHBondContact O-N 3.28Å; Y819-Q822 PolarHBondContact O-N 2.97Å; Q822-M825 PolarHBondContact O-N 2.96Å; Q822-V826 WeakPolarHBondContact O-CG2 3.28Å; Q822-V826 PolarHBondContact O-N 3Å; Q822-Y865 HydrophobicContact CG-CE2 3.98Å; Q822-Y865 VanDerWaalsContact NE2-CZ 3.3Å; Q822-Y865 PolarHBondContact NE2-OH 3.31Å; Q822-Y865 VanDerWaalsContact NE2-OH 3.08Å
823R96.7Very high94.9Very high21 Ų2127 Ų278%0.07913%0.134CC..Hα-helixtrans-60.5-44.6175.6-74.4173.163.5-160.15112.6D366 Y819 L821 K827 Y865 D868D366-R823 VanDerWaalsContact CG-NH1 3.32Å; D366-R823 IonicContact OD1-CZ 3.98Å; D366-R823 IonicContact OD1-NH1 3.4Å; D366-R823 PolarHBondContact OD1-NH1 3.34Å; D366-R823 IonicContact OD1-NH2 2.93Å; D366-R823 PolarHBondContact OD1-NH2 3.49Å; D366-R823 IonicContact OD2-NH1 3.65Å; D366-R823 PolarHBondContact OD2-NH1 3.46Å; Y819-R823 VanDerWaalsContact CE1-NH1 3.34Å; Y819-R823 HydrophobicContact CE2-CG 4.39Å; Y819-R823 VanDerWaalsContact CZ-CD 3.41Å; Y819-R823 WeakPolarHBondContact O-CG 3.48Å; Y819-R823 PolarHBondContact O-N 3.34Å; Y819-R823 PolarHBondContact OH-NH1 3.02Å; Y819-R823 VanDerWaalsContact OH-NH1 3.12Å; L821-R823 VanDerWaalsContact C-N 3.31Å; L821-R823 PolarHBondContact O-N 3.12Å; R823-K827 WeakPolarHBondContact O-CE 3.41Å; R823-K827 PolarHBondContact O-N 3.32Å; R823-Y865 HydrophobicContact CG-CD2 3.77Å; R823-D868 IonicContact CZ-OD2 3.03Å; R823-D868 VanDerWaalsContact CZ-OD2 3.25Å; R823-D868 IonicContact NE-OD2 3.86Å; R823-D868 PolarHBondContact NE-OD2 3.22Å; R823-D868 IonicContact NH2-OD2 3.59Å; R823-D868 PolarHBondContact NH2-OD2 3.41Å
824A97.1Very high94.4Very high0 Ų028 Ų280%014%0.14CC..Hα-helixtrans-65.3-39.2177.700000112.7M760 F764 F820 L821 K827 A828M760-A824 HydrophobicContact CB-CB 3.73Å; M760-A824 HydrophobicContact CE-CB 4.06Å; M760-A824 HydrophobicContact CG-CB 3.55Å; F764-A824 HydrophobicContact CE2-CB 4.35Å; F820-A824 WeakPolarHBondContact O-CB 3.3Å; F820-A824 PolarHBondContact O-N 2.59Å; L821-A824 PolarHBondContact O-N 2.86Å; L821-A824 VanDerWaalsContact O-N 3.14Å; A824-K827 PolarHBondContact O-N 3.16Å; A824-A828 VanDerWaalsContact O-CB 3.28Å; A824-A828 WeakPolarHBondContact O-CB 3.46Å; A824-A828 PolarHBondContact O-N 3.32Å
825M95.9Very high93.8Very high0 Ų031.1 Ų31.10%015%0.149CC..Hα-helixtrans-62.7-43.8179-73.4-178.58200112L791 M794 F795 L798 F799 L821 Q822 A828 L829L791-M825 HydrophobicContact CD2-CE 3.97Å; M794-M825 HydrophobicContact CB-CE 3.91Å; F795-M825 HydrophobicContact CB-CE 3.94Å; F795-M825 HydrophobicContact CD2-CB 4.28Å; L798-M825 HydrophobicContact CD1-SD 4.2Å; F799-M825 HydrophobicContact CE2-SD 3.74Å; L821-M825 HydrophobicContact CD1-CG 4.18Å; L821-M825 HydrophobicContact CD1-SD 4.46Å; L821-M825 HydrophobicContact CG-CG 4.24Å; L821-M825 HydrophobicContact CG-SD 4.07Å; L821-M825 VanDerWaalsContact O-CG 3.32Å; L821-M825 WeakPolarHBondContact O-CG 3.09Å; L821-M825 PolarHBondContact O-N 2.61Å; Q822-M825 PolarHBondContact O-N 2.96Å; M825-A828 PolarHBondContact O-N 3.02Å; M825-L829 WeakPolarHBondContact O-CB 3.35Å; M825-L829 VanDerWaalsContact O-CG 3.3Å; M825-L829 WeakPolarHBondContact O-CG 3.45Å; M825-L829 PolarHBondContact O-N 2.83Å
826V94.9Very high93.3Very high1 Ų134.4 Ų34.41%0.00616%0.163CC..Hα-helixtrans-63.2-46.5176.91790000110.6F795 Q822 A828 L829 S830 I846 L849 Y865 L869 A872F795-V826 HydrophobicContact CE2-CG2 4.08Å; Q822-V826 WeakPolarHBondContact O-CG2 3.28Å; Q822-V826 PolarHBondContact O-N 3Å; V826-A828 VanDerWaalsContact C-N 3.31Å; V826-A828 PolarHBondContact O-N 3.21Å; V826-L829 PolarHBondContact O-N 3.41Å; V826-S830 PolarHBondContact O-N 2.96Å; V826-I846 HydrophobicContact CG1-CD1 4.46Å; V826-I846 HydrophobicContact CG1-CG1 4.14Å; V826-I846 HydrophobicContact CG1-CG2 4.32Å; V826-L849 HydrophobicContact CG2-CD1 3.99Å; V826-Y865 HydrophobicContact CG2-CE2 4.42Å; V826-L869 HydrophobicContact CB-CD2 4.19Å; V826-L869 HydrophobicContact CG1-CD2 3.48Å; V826-L869 VanDerWaalsContact CG1-CD2 3.48Å; V826-L869 HydrophobicContact CG2-CD2 3.92Å; V826-A872 HydrophobicContact CG1-CB 3.63Å
827K96.3Very high92.9Very high44 Ų4432.8 Ų32.819%0.19116%0.155CC..Hα-helixtrans-63.2-35.5176.4-73.4-176.1-72.5-1520113F764 R823 A824 S830 D868F764-K827 HydrophobicContact CE1-CB 4.11Å; F764-K827 HydrophobicContact CZ-CB 3.81Å; R823-K827 WeakPolarHBondContact O-CE 3.41Å; R823-K827 PolarHBondContact O-N 3.32Å; A824-K827 PolarHBondContact O-N 3.16Å; K827-S830 PolarHBondContact O-OG 2.79Å; K827-D868 HydrophobicContact CD-CB 4.3Å; K827-D868 WeakPolarHBondContact CD-OD1 2.99Å; K827-D868 WeakPolarHBondContact CE-OD2 3.4Å; K827-D868 HydrophobicContact CG-CB 4.4Å; K827-D868 VanDerWaalsContact NZ-CG 3.26Å; K827-D868 IonicContact NZ-OD1 3.72Å; K827-D868 PolarHBondContact NZ-OD1 2.97Å; K827-D868 VanDerWaalsContact NZ-OD1 3.13Å; K827-D868 IonicContact NZ-OD2 3.89Å; K827-D868 PolarHBondContact NZ-OD2 3.42Å
828A96.5Very high92.6Very high0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-70.5-41.3176.800000111.2C763 F764 C767 L791 A824 M825 V826 S830 T831C763-A828 HydrophobicContact CB-CB 3.75Å; F764-A828 HydrophobicContact CD1-CB 3.89Å; F764-A828 HydrophobicContact CE1-CB 4.02Å; F764-A828 HydrophobicContact CG-CB 4.21Å; F764-A828 HydrophobicContact CZ-CB 4.43Å; C767-A828 VanDerWaalsContact SG-C 3.6Å; C767-A828 PolarHBondContact SG-O 3.49Å; L791-A828 HydrophobicContact CD1-CB 3.78Å; A824-A828 VanDerWaalsContact O-CB 3.28Å; A824-A828 WeakPolarHBondContact O-CB 3.46Å; A824-A828 PolarHBondContact O-N 3.32Å; M825-A828 PolarHBondContact O-N 3.02Å; V826-A828 VanDerWaalsContact C-N 3.31Å; V826-A828 PolarHBondContact O-N 3.21Å; A828-S830 VanDerWaalsContact C-N 3.27Å; A828-S830 PolarHBondContact O-N 2.7Å; A828-T831 WeakPolarHBondContact O-CB 3.21Å; A828-T831 PolarHBondContact O-N 2.82Å; A828-T831 PolarHBondContact O-OG1 3.31Å
829L94.7Very high92.3Very high1 Ų127.2 Ų27.21%0.00513%0.131CC..Hα-helixtrans-57.2-38.9178.2-80169.1000112.5L791 M825 V826 T831 L832 I842 F845L791-L829 HydrophobicContact CB-CD2 3.51Å; L791-L829 HydrophobicContact CB-CG 4Å; L791-L829 HydrophobicContact CD1-CD2 4.31Å; L791-L829 HydrophobicContact CD1-CG 4.23Å; M825-L829 WeakPolarHBondContact O-CB 3.35Å; M825-L829 VanDerWaalsContact O-CG 3.3Å; M825-L829 WeakPolarHBondContact O-CG 3.45Å; M825-L829 PolarHBondContact O-N 2.83Å; V826-L829 PolarHBondContact O-N 3.41Å; L829-T831 PolarHBondContact O-N 3.28Å; L829-T831 VanDerWaalsContact O-N 3.12Å; L829-L832 HydrophobicContact CD2-CD1 3.77Å; L829-L832 WeakPolarHBondContact O-CB 3.38Å; L829-L832 WeakPolarHBondContact O-CG 3.45Å; L829-L832 PolarHBondContact O-N 3.07Å; L829-L832 VanDerWaalsContact O-N 3.1Å; L829-I842 HydrophobicContact CB-CG2 4.07Å; L829-I842 HydrophobicContact CD2-CD1 4.06Å; L829-F845 HydrophobicContact CD1-CD1 4.14Å; L829-F845 HydrophobicContact CD1-CE1 3.58Å; L829-F845 HydrophobicContact CD1-CZ 4.47Å
830S93.3Very high91.9Very high0 Ų031.5 Ų31.50%015%0.151CC..THydrogen-bonded Turntrans-66.9-10.9177.767.50000114.1V826 K827 A828 R833 A872V826-S830 PolarHBondContact O-N 2.96Å; K827-S830 PolarHBondContact O-OG 2.79Å; A828-S830 VanDerWaalsContact C-N 3.27Å; A828-S830 PolarHBondContact O-N 2.7Å; S830-R833 PolarHBondContact O-NH1 2.87Å; S830-R833 PolarHBondContact O-NH2 3.48Å; S830-A872 WeakPolarHBondContact CB-O 3.4Å
831T93.7Very high91.5Very high46 Ų4634.3 Ų34.328%0.28217%0.168SC..THydrogen-bonded Turntrans-88.2-7.5174.472.70000113.7F764 C767 N771 A828 L829 R833F764-T831 HydrophobicContact CD1-CG2 4.47Å; C767-T831 WeakPolarHBondContact CB-OG1 3.5Å; N771-T831 PolarHBondContact ND2-O 3.14Å; A828-T831 WeakPolarHBondContact O-CB 3.21Å; A828-T831 PolarHBondContact O-N 2.82Å; A828-T831 PolarHBondContact O-OG1 3.31Å; L829-T831 PolarHBondContact O-N 3.28Å; L829-T831 VanDerWaalsContact O-N 3.12Å; T831-R833 VanDerWaalsContact C-NH1 3.34Å; T831-R833 PolarHBondContact O-NH1 3.43Å
832L92.1Very high91.3Very high1 Ų134.3 Ų34.31%0.00517%0.168CC..  trans-65.8139.9178.9-69.5176.7000111.7C767 V770 N771 V787 L829 C838 I842C767-L832 HydrophobicContact CB-CD2 3.67Å; C767-L832 HydrophobicContact CB-CG 4.37Å; C767-L832 WeakPolarHBondContact SG-CD2 3.42Å; V770-L832 HydrophobicContact CG1-CD2 4.37Å; N771-L832 WeakPolarHBondContact OD1-CA 3.36Å; V787-L832 HydrophobicContact CG1-CB 3.81Å; V787-L832 HydrophobicContact CG1-CD1 3.92Å; V787-L832 HydrophobicContact CG1-CD2 4.04Å; V787-L832 HydrophobicContact CG1-CG 4.14Å; L829-L832 HydrophobicContact CD2-CD1 3.77Å; L829-L832 WeakPolarHBondContact O-CB 3.38Å; L829-L832 WeakPolarHBondContact O-CG 3.45Å; L829-L832 PolarHBondContact O-N 3.07Å; L829-L832 VanDerWaalsContact O-N 3.1Å; L832-C838 WeakPolarHBondContact O-CA 3.46Å; L832-I842 HydrophobicContact CD1-CD1 4.37Å; L832-I842 HydrophobicContact CD1-CG1 4.49Å
833R88.3Confident91.1Very high50 Ų5033.6 Ų33.619%0.18917%0.165CC..  trans-136.8135.5-177.2-58.6-65.3175.6-102.16.3110.7N771 S774 S830 T831 V837 D875N771-R833 PolarHBondContact OD1-N 3.34Å; N771-R833 PolarHBondContact OD1-O 3.06Å; S774-R833 PolarHBondContact OG-O 3.22Å; S830-R833 PolarHBondContact O-NH1 2.87Å; S830-R833 PolarHBondContact O-NH2 3.48Å; T831-R833 VanDerWaalsContact C-NH1 3.34Å; T831-R833 PolarHBondContact O-NH1 3.43Å; R833-V837 CarbonylContact C-O 3.59Å; R833-V837 WeakPolarHBondContact CA-O 3.49Å; R833-D875 PolarHBondContact NH2-O 3.42Å
834V84Confident90.9Very high20 Ų2035.9 Ų35.912%0.12118%0.178CC..BIsolated β-bridgetrans-122.7119163.3177.40000105.9A783 V787 Q836 V837 P839A783-V834 HydrophobicContact CB-CG1 4.25Å; V787-V834 HydrophobicContact CB-CG2 4Å; V787-V834 HydrophobicContact CG1-CG2 4.17Å; V787-V834 HydrophobicContact CG2-CG2 3.77Å; V834-Q836 VanDerWaalsContact C-N 3.25Å; V834-Q836 PolarHBondContact O-N 2.97Å; V834-V837 PolarHBondContact N-O 3.36Å; V834-V837 PolarHBondContact O-N 3.07Å; V834-P839 HydrophobicContact CG2-CG 3.97Å
835Q81.3Confident90.7Very high149 Ų14936.4 Ų36.470%0.69618%0.18SC*.THydrogen-bonded Turntrans50.344.4-175.2-59.8-179.4-17.100113V837Q835-V837 PolarHBondContact O-N 3.08Å
836Q84.5Confident90.6Very high132 Ų13236.4 Ų36.462%0.61718%0.18SC*.THydrogen-bonded Turntrans67.55.4-179-53.2-63.1-24.600116.4V834 T878 A880V834-Q836 VanDerWaalsContact C-N 3.25Å; V834-Q836 PolarHBondContact O-N 2.97Å; Q836-T878 PolarHBondContact O-OG1 3.36Å; Q836-A880 HydrophobicContact CB-CB 4.08Å
837V87Confident90.5Very high38 Ų3836.6 Ų36.623%0.2318%0.181CC..BIsolated β-bridgetrans-113.5142.7177-1750000109.9R833 V834 Q835 A880 I881R833-V837 CarbonylContact C-O 3.59Å; R833-V837 WeakPolarHBondContact CA-O 3.49Å; V834-V837 PolarHBondContact N-O 3.36Å; V834-V837 PolarHBondContact O-N 3.07Å; Q835-V837 PolarHBondContact O-N 3.08Å; V837-A880 HydrophobicContact CG2-CB 3.94Å; V837-I881 HydrophobicContact CG1-CG1 4.26Å
838C88.5Confident90.4Very high8 Ų837.2 Ų37.25%0.05419%0.187CC..  trans-70.4133.7173.6-165.70000109.9L832 H840L832-C838 WeakPolarHBondContact O-CA 3.46Å; C838-H840 PolarHBondContact O-N 3.34Å
839P88.3Confident90.2Very high8 Ų837.5 Ų37.55%0.05219%0.188CC..  trans-57.5135.7176.9-20.329.9000111.4V787 V834 D841 I842V787-P839 HydrophobicContact CG1-CG 3.76Å; V834-P839 HydrophobicContact CG2-CG 3.97Å; P839-D841 PolarHBondContact O-N 3.48Å; P839-I842 HydrophobicContact CB-CG1 4.17Å; P839-I842 HydrophobicContact CG-CG1 4.35Å; P839-I842 WeakPolarHBondContact O-CB 3.39Å; P839-I842 PolarHBondContact O-N 2.99Å
840H87.6Confident90.1Very high94 Ų9438.2 Ų38.244%0.43519%0.192SC..Hα-helixtrans-59.9-36.6-173.4-66.732.8000112.2C838 I842 L843 I844 E895C838-H840 PolarHBondContact O-N 3.34Å; H840-I842 PolarHBondContact O-N 2.91Å; H840-I842 VanDerWaalsContact O-N 3.13Å; H840-L843 PolarHBondContact O-N 3.31Å; H840-I844 PolarHBondContact O-N 3.47Å; H840-I844 VanDerWaalsContact O-N 3.08Å; H840-E895 IonicContact CD2-OE1 3.68Å; H840-E895 IonicContact CE1-OE1 2.83Å; H840-E895 PolarHBondContact CE1-OE1 3.04Å; H840-E895 IonicContact ND1-OE1 2.91Å; H840-E895 IonicContact NE2-OE1 3.2Å; H840-E895 PolarHBondContact NE2-OE1 3.04Å
841D88.3Confident90.1Very high89 Ų8944.6 Ų44.648%0.47622%0.216SC..Hα-helixtrans-56.4-29.7177.7-59.8-18.7000112.6T788 P839 F845T788-D841 HydrophobicContact CG2-CB 4.33Å; P839-D841 PolarHBondContact O-N 3.48Å; D841-F845 WeakPolarHBondContact O-CB 3.42Å; D841-F845 PolarHBondContact O-N 3.42Å
842I92Very high89.9Confident0 Ų048.1 Ų48.10%023%0.229CC..Hα-helixtrans-72.3-42.2178.3-57.9-52000111.1T788 L829 L832 P839 H840 F845 I846T788-I842 HydrophobicContact CG2-CD1 4.39Å; L829-I842 HydrophobicContact CB-CG2 4.07Å; L829-I842 HydrophobicContact CD2-CD1 4.06Å; L832-I842 HydrophobicContact CD1-CD1 4.37Å; L832-I842 HydrophobicContact CD1-CG1 4.49Å; P839-I842 HydrophobicContact CB-CG1 4.17Å; P839-I842 HydrophobicContact CG-CG1 4.35Å; P839-I842 WeakPolarHBondContact O-CB 3.39Å; P839-I842 PolarHBondContact O-N 2.99Å; H840-I842 PolarHBondContact O-N 2.91Å; H840-I842 VanDerWaalsContact O-N 3.13Å; I842-F845 PolarHBondContact O-N 2.94Å; I842-I846 HydrophobicContact CG2-CD1 3.91Å; I842-I846 HydrophobicContact CG2-CG1 4.46Å; I842-I846 VanDerWaalsContact O-CG1 3.29Å; I842-I846 WeakPolarHBondContact O-CG1 3.29Å; I842-I846 PolarHBondContact O-N 2.87Å
843L92Very high89.9Confident3 Ų350 Ų502%0.01624%0.239CC..Hα-helixtrans-66-42.7177.1179.262.2000111.1H840 F845 I846 S847 M873 T876 E895 T898 V899H840-L843 PolarHBondContact O-N 3.31Å; L843-F845 VanDerWaalsContact C-N 3.32Å; L843-F845 PolarHBondContact O-N 2.8Å; L843-I846 PolarHBondContact O-N 3Å; L843-S847 WeakPolarHBondContact O-CB 3.24Å; L843-S847 PolarHBondContact O-N 3.44Å; L843-M873 HydrophobicContact CD1-CB 4.48Å; L843-M873 HydrophobicContact CD1-CE 4.03Å; L843-M873 HydrophobicContact CD1-CG 4.28Å; L843-T876 HydrophobicContact CD1-CG2 4.36Å; L843-E895 VanDerWaalsContact CD2-CA 3.44Å; L843-E895 HydrophobicContact CD2-CB 3.73Å; L843-E895 HydrophobicContact CD2-CG 3.98Å; L843-T898 HydrophobicContact CD2-CG2 4.47Å; L843-T898 HydrophobicContact CG-CG2 4.42Å; L843-V899 HydrophobicContact CD1-CG2 4.12Å
844I92.4Very high90Very high70 Ų7050.7 Ų50.736%0.35925%0.247SC..Hα-helixtrans-58.4-48.4174.9-64.7169.3000109.4H840 I846 S847 D848 F894H840-I844 PolarHBondContact O-N 3.47Å; H840-I844 VanDerWaalsContact O-N 3.08Å; I844-I846 PolarHBondContact O-N 2.85Å; I844-S847 PolarHBondContact O-N 3.17Å; I844-D848 WeakPolarHBondContact O-CB 3.38Å; I844-D848 VanDerWaalsContact O-CG 3.26Å; I844-D848 PolarHBondContact O-N 3.33Å; I844-F894 HydrophobicContact CD1-CE1 4.44Å; I844-F894 HydrophobicContact CD1-CZ 4.43Å; I844-F894 HydrophobicContact CG1-CE1 4.08Å; I844-F894 HydrophobicContact CG1-CZ 4.02Å
845F92.2Very high90.4Very high11 Ų1150.9 Ų50.95%0.04825%0.247CC..Hα-helixtrans-58.1-46177.5166.3-106.9000113.4L792 F795 W796 L829 D841 I842 L843 S847 D848 L849L792-F845 HydrophobicContact CD1-CB 4.32Å; L792-F845 HydrophobicContact CD1-CD1 3.67Å; L792-F845 HydrophobicContact CD1-CD2 3.62Å; L792-F845 HydrophobicContact CD1-CE1 3.77Å; L792-F845 HydrophobicContact CD1-CE2 3.72Å; L792-F845 HydrophobicContact CD1-CG 3.57Å; L792-F845 HydrophobicContact CD1-CZ 3.77Å; F795-F845 AromaticContact CD1-CE2 3.91Å; F795-F845 HydrophobicContact CD1-CE2 3.91Å; F795-F845 AromaticContact CD1-CZ 3.5Å; F795-F845 HydrophobicContact CD1-CZ 3.5Å; F795-F845 HydrophobicContact CD2-CZ 4.22Å; F795-F845 AromaticContact CE1-CE2 3.95Å; F795-F845 HydrophobicContact CE1-CE2 3.95Å; F795-F845 AromaticContact CE1-CZ 3.59Å; F795-F845 HydrophobicContact CE1-CZ 3.59Å; F795-F845 HydrophobicContact CE2-CZ 4.28Å; F795-F845 AromaticContact CG-CZ 3.84Å; F795-F845 HydrophobicContact CG-CZ 3.84Å; F795-F845 AromaticContact CZ-CZ 3.99Å; F795-F845 HydrophobicContact CZ-CZ 3.99Å; W796-F845 AromaticContact CE2-CE2 3.86Å; W796-F845 HydrophobicContact CH2-CD2 4.41Å; W796-F845 AromaticContact CH2-CE2 3.98Å; W796-F845 HydrophobicContact CH2-CE2 3.98Å; W796-F845 AromaticContact CZ2-CD2 3.68Å; W796-F845 HydrophobicContact CZ2-CD2 3.68Å; W796-F845 AromaticContact CZ2-CE2 3.47Å; W796-F845 HydrophobicContact CZ2-CE2 3.47Å; W796-F845 VanDerWaalsContact CZ2-CE2 3.47Å; L829-F845 HydrophobicContact CD1-CD1 4.14Å; L829-F845 HydrophobicContact CD1-CE1 3.58Å; L829-F845 HydrophobicContact CD1-CZ 4.47Å; D841-F845 WeakPolarHBondContact O-CB 3.42Å; D841-F845 PolarHBondContact O-N 3.42Å; I842-F845 PolarHBondContact O-N 2.94Å; L843-F845 VanDerWaalsContact C-N 3.32Å; L843-F845 PolarHBondContact O-N 2.8Å; F845-S847 VanDerWaalsContact C-N 3.34Å; F845-D848 PolarHBondContact O-N 3.48Å; F845-L849 HydrophobicContact CD1-CD1 4.31Å; F845-L849 HydrophobicContact CD2-CG 4.39Å; F845-L849 HydrophobicContact CE1-CD1 3.6Å; F845-L849 HydrophobicContact CE1-CG 4.38Å; F845-L849 HydrophobicContact CE2-CD1 3.93Å; F845-L849 HydrophobicContact CE2-CD2 4.19Å; F845-L849 HydrophobicContact CE2-CG 3.92Å; F845-L849 HydrophobicContact CZ-CD1 3.39Å; F845-L849 HydrophobicContact CZ-CD2 4.34Å; F845-L849 HydrophobicContact CZ-CG 3.93Å; F845-L849 WeakPolarHBondContact O-CG 3.43Å; F845-L849 PolarHBondContact O-N 3.49Å
846I94.3Very high90.8Very high0 Ų048.2 Ų48.20%025%0.245CC..Hα-helixtrans-67.4-38.4178.9-61.1165.2000110.6V826 I842 L843 I844 L849 L850 L869 A872 M873 T876V826-I846 HydrophobicContact CG1-CD1 4.46Å; V826-I846 HydrophobicContact CG1-CG1 4.14Å; V826-I846 HydrophobicContact CG1-CG2 4.32Å; I842-I846 HydrophobicContact CG2-CD1 3.91Å; I842-I846 HydrophobicContact CG2-CG1 4.46Å; I842-I846 VanDerWaalsContact O-CG1 3.29Å; I842-I846 WeakPolarHBondContact O-CG1 3.29Å; I842-I846 PolarHBondContact O-N 2.87Å; L843-I846 PolarHBondContact O-N 3Å; I844-I846 PolarHBondContact O-N 2.85Å; I846-L849 WeakPolarHBondContact O-CB 3.5Å; I846-L849 PolarHBondContact O-N 3.3Å; I846-L850 PolarHBondContact O-N 2.79Å; I846-L869 HydrophobicContact CG2-CB 4.38Å; I846-L869 HydrophobicContact CG2-CD2 4.43Å; I846-A872 HydrophobicContact CD1-CB 4Å; I846-M873 HydrophobicContact CB-CG 4.11Å; I846-M873 HydrophobicContact CG2-CG 3.36Å; I846-M873 HydrophobicContact CG2-SD 4.28Å; I846-T876 HydrophobicContact CD1-CG2 4.2Å
847S93.8Very high91Very high4 Ų451.8 Ų51.83%0.02825%0.252CS..Hα-helixtrans-63.4-42174.6-1790000111.6L843 I844 F845 L850 R851L843-S847 WeakPolarHBondContact O-CB 3.24Å; L843-S847 PolarHBondContact O-N 3.44Å; I844-S847 PolarHBondContact O-N 3.17Å; F845-S847 VanDerWaalsContact C-N 3.34Å; S847-L850 WeakPolarHBondContact O-CB 3.36Å; S847-L850 PolarHBondContact O-N 3.37Å; S847-R851 WeakPolarHBondContact O-CB 3.33Å; S847-R851 WeakPolarHBondContact O-CG 3.37Å; S847-R851 PolarHBondContact O-N 3.18Å; S847-R851 PolarHBondContact OG-NE 3.1Å
848D92.5Very high91.2Very high58 Ų5850.1 Ų50.131%0.3124%0.242SC..Hα-helixtrans-64.3-41.2175.9-70.3-17.7000111.3I808 I844 F845 L850 R851 H852I808-D848 VanDerWaalsContact CD1-C 3.48Å; I808-D848 HydrophobicContact CD1-CB 4.11Å; I808-D848 VanDerWaalsContact CD1-O 3.22Å; I808-D848 WeakPolarHBondContact CD1-O 3.45Å; I844-D848 WeakPolarHBondContact O-CB 3.38Å; I844-D848 VanDerWaalsContact O-CG 3.26Å; I844-D848 PolarHBondContact O-N 3.33Å; F845-D848 PolarHBondContact O-N 3.48Å; D848-L850 VanDerWaalsContact C-N 3.27Å; D848-L850 PolarHBondContact O-N 2.99Å; D848-R851 PolarHBondContact O-N 2.87Å; D848-H852 WeakPolarHBondContact O-CB 3.42Å; D848-H852 PolarHBondContact O-CD2 3.17Å; D848-H852 VanDerWaalsContact O-CD2 3.3Å; D848-H852 PolarHBondContact O-N 3.12Å
849L93.5Very high91.5Very high5 Ų553 Ų533%0.02626%0.261CS..Hα-helixtrans-58.1-40.5172.9-76.4-179.8000112.1F795 I808 V826 F845 I846 N853 L869F795-L849 HydrophobicContact CE1-CD1 4.44Å; F795-L849 HydrophobicContact CE1-CD2 4.03Å; F795-L849 HydrophobicContact CE2-CD1 4.5Å; F795-L849 HydrophobicContact CZ-CD1 3.97Å; F795-L849 HydrophobicContact CZ-CD2 3.98Å; I808-L849 HydrophobicContact CD1-CD2 4.05Å; I808-L849 HydrophobicContact CG1-CD2 3.98Å; I808-L849 HydrophobicContact CG2-CD2 4.16Å; V826-L849 HydrophobicContact CG2-CD1 3.99Å; F845-L849 HydrophobicContact CD1-CD1 4.31Å; F845-L849 HydrophobicContact CD2-CG 4.39Å; F845-L849 HydrophobicContact CE1-CD1 3.6Å; F845-L849 HydrophobicContact CE1-CG 4.38Å; F845-L849 HydrophobicContact CE2-CD1 3.93Å; F845-L849 HydrophobicContact CE2-CD2 4.19Å; F845-L849 HydrophobicContact CE2-CG 3.92Å; F845-L849 HydrophobicContact CZ-CD1 3.39Å; F845-L849 HydrophobicContact CZ-CD2 4.34Å; F845-L849 HydrophobicContact CZ-CG 3.93Å; F845-L849 WeakPolarHBondContact O-CG 3.43Å; F845-L849 PolarHBondContact O-N 3.49Å; I846-L849 WeakPolarHBondContact O-CB 3.5Å; I846-L849 PolarHBondContact O-N 3.3Å; L849-N853 WeakPolarHBondContact O-CB 3.47Å; L849-N853 PolarHBondContact O-N 2.63Å; L849-L869 HydrophobicContact CB-CD1 4.25Å; L849-L869 HydrophobicContact CB-CD2 4.26Å; L849-L869 HydrophobicContact CD1-CD2 4.1Å
850L93.2Very high91.9Very high17 Ų1755.8 Ų55.89%0.08927%0.271CS..Hα-helixtrans-70.2-49.1178.9-174.867.5000111.4I846 S847 D848 H852 N853 V866 L869 M873 E902 L906I846-L850 PolarHBondContact O-N 2.79Å; S847-L850 WeakPolarHBondContact O-CB 3.36Å; S847-L850 PolarHBondContact O-N 3.37Å; D848-L850 VanDerWaalsContact C-N 3.27Å; D848-L850 PolarHBondContact O-N 2.99Å; L850-H852 VanDerWaalsContact C-N 3.32Å; L850-H852 PolarHBondContact O-N 2.99Å; L850-N853 WeakPolarHBondContact O-CB 3.46Å; L850-N853 PolarHBondContact O-N 2.6Å; L850-V866 HydrophobicContact CD1-CG1 3.84Å; L850-L869 HydrophobicContact CB-CD1 4.3Å; L850-L869 HydrophobicContact CD1-CB 4.43Å; L850-L869 HydrophobicContact CD1-CD1 4.14Å; L850-M873 HydrophobicContact CD2-SD 4Å; L850-E902 HydrophobicContact CD2-CB 4.02Å; L850-E902 HydrophobicContact CD2-CG 4.27Å; L850-L906 HydrophobicContact CD1-CD1 4.28Å; L850-L906 HydrophobicContact CD1-CD2 4.41Å; L850-L906 HydrophobicContact CD2-CD1 3.92Å; L850-L906 HydrophobicContact CD2-CG 4.48Å
851R91.5Very high92.2Very high134 Ų13452.6 Ų52.651%0.50626%0.26SS..Hα-helixtrans-65.2-32.9-178.3-72.8176.5-179177.32.6113.6S847 D848 E902S847-R851 WeakPolarHBondContact O-CB 3.33Å; S847-R851 WeakPolarHBondContact O-CG 3.37Å; S847-R851 PolarHBondContact O-N 3.18Å; S847-R851 PolarHBondContact OG-NE 3.1Å; D848-R851 PolarHBondContact O-N 2.87Å; R851-E902 IonicContact CZ-OE1 3.79Å; R851-E902 IonicContact NE-OE1 3.47Å; R851-E902 PolarHBondContact NE-OE1 3.17Å; R851-E902 IonicContact NH2-OE1 3.44Å; R851-E902 PolarHBondContact NH2-OE1 3.36Å
852H90.5Very high92.6Very high120 Ų12049.9 Ų49.956%0.55625%0.245SC*.THydrogen-bonded Turntrans-106.219.1-178.6-58.4-56.4000112.9I808 D848 L850 D854I808-H852 HydrophobicContact CD1-CB 3.76Å; D848-H852 WeakPolarHBondContact O-CB 3.42Å; D848-H852 PolarHBondContact O-CD2 3.17Å; D848-H852 VanDerWaalsContact O-CD2 3.3Å; D848-H852 PolarHBondContact O-N 3.12Å; L850-H852 VanDerWaalsContact C-N 3.32Å; L850-H852 PolarHBondContact O-N 2.99Å; H852-D854 PolarHBondContact O-N 3.23Å; H852-D854 VanDerWaalsContact O-N 3.16Å
853N91.9Very high92.7Very high41 Ų4150.4 Ų50.422%0.21925%0.249CC..  trans-66.2110.9175.3-179.558.7000110.3N811 L849 L850 D862N811-N853 PolarHBondContact ND2-OD1 2.9Å; L849-N853 WeakPolarHBondContact O-CB 3.47Å; L849-N853 PolarHBondContact O-N 2.63Å; L850-N853 WeakPolarHBondContact O-CB 3.46Å; L850-N853 PolarHBondContact O-N 2.6Å; N853-D862 PolarHBondContact ND2-OD2 2.69Å
854D91.2Very high92.9Very high64 Ų6452.2 Ų52.234%0.34226%0.256SS..  trans-113.5111.6176.1175.25.4000110Q810 N811 H852 S856Q810-D854 HydrophobicContact CG-CB 4.29Å; Q810-D854 WeakPolarHBondContact CG-O 3.29Å; Q810-D854 PolarHBondContact NE2-OD1 3.19Å; Q810-D854 VanDerWaalsContact NE2-OD1 3.12Å; Q810-D854 PolarHBondContact NE2-OD2 2.95Å; N811-D854 PolarHBondContact N-O 3.46Å; H852-D854 PolarHBondContact O-N 3.23Å; H852-D854 VanDerWaalsContact O-N 3.16Å; D854-S856 VanDerWaalsContact OD1-CB 3.31Å; D854-S856 WeakPolarHBondContact OD1-CB 3.31Å; D854-S856 PolarHBondContact OD1-N 3.4Å; D854-S856 PolarHBondContact OD1-OG 3.28Å
855N91.9Very high93.1Very high24 Ų2449.1 Ų49.113%0.12824%0.239CC..  trans-108.28.2178.4-156.253.1000113.7N811 R857 N858 Y860 D862N811-N855 WeakPolarHBondContact CB-OD1 3.38Å; N811-N855 PolarHBondContact ND2-OD1 3.23Å; N855-R857 PolarHBondContact O-N 3.06Å; N855-N858 PolarHBondContact O-N 3.01Å; N855-N858 WeakPolarHBondContact OD1-CB 3.35Å; N855-N858 PolarHBondContact OD1-ND2 2.95Å; N855-Y860 PolarHBondContact ND2-O 3.04Å; N855-D862 HydrophobicContact CB-CB 4.21Å; N855-D862 WeakPolarHBondContact CB-OD2 3.48Å; N855-D862 VanDerWaalsContact CG-CG 3.45Å; N855-D862 PolarHBondContact ND2-OD1 3.45Å
856S90.4Very high93.3Very high93 Ų9349.2 Ų49.265%0.6524%0.241SC*.THydrogen-bonded Turntrans-63.6-34.2-169.560.10000114.7Q810 D854Q810-S856 PolarHBondContact NE2-OG 2.98Å; D854-S856 VanDerWaalsContact OD1-CB 3.31Å; D854-S856 WeakPolarHBondContact OD1-CB 3.31Å; D854-S856 PolarHBondContact OD1-N 3.4Å; D854-S856 PolarHBondContact OD1-OG 3.28Å
857R88Confident93.5Very high206 Ų20649.6 Ų49.678%0.77724%0.244SC*.THydrogen-bonded Turntrans-101.84.2175.9-61-175.8-178.5176.8-3114.3Q810 N855Q810-R857 VanDerWaalsContact NE2-N 3.12Å; N855-R857 PolarHBondContact O-N 3.06Å
858N92.1Very high93.6Very high3 Ų350.1 Ų50.12%0.01625%0.247CC..  trans-83.1127.3177.5-171.227.7000109.4R363 N811 F813 N855 Y860R363-N858 PolarHBondContact NH2-O 3.43Å; R363-N858 VanDerWaalsContact NH2-O 3.14Å; N811-N858 HydrophobicContact CB-CB 4.16Å; N811-N858 WeakPolarHBondContact O-CB 3.47Å; F813-N858 WeakPolarHBondContact CD2-ND2 3.32Å; F813-N858 WeakPolarHBondContact CE2-ND2 3.38Å; F813-N858 WeakPolarHBondContact CG-ND2 3.42Å; F813-N858 PolarHBondContact N-OD1 2.82Å; N855-N858 PolarHBondContact O-N 3.01Å; N855-N858 WeakPolarHBondContact OD1-CB 3.35Å; N855-N858 PolarHBondContact OD1-ND2 2.95Å; N858-Y860 PolarHBondContact ND2-O 3.23Å; N858-Y860 VanDerWaalsContact ND2-O 3.09Å; N858-Y860 PolarHBondContact O-N 3.23Å
859P94.1Very high93.8Very high69 Ų6947.4 Ų47.445%0.44823%0.232SC..SBendtrans-64-23.4175.823.2-32.1000112.3R363 T814R363-P859 VanDerWaalsContact CG-O 3.25Å; R363-P859 WeakPolarHBondContact CG-O 3.37Å; R363-P859 PolarHBondContact NE-O 3.17Å; T814-P859 HydrophobicContact CG2-CG 4.07Å
860Y96.6Very high94Very high66 Ų6647.2 Ų47.226%0.25923%0.231SC..SBendtrans-97.7157.4-177.1-58.7-76.8000113.2R363 I365 F813 T814 N855 N858R363-Y860 CarbonylContact O-C 3.25Å; R363-Y860 VanDerWaalsContact O-CA 3.3Å; R363-Y860 WeakPolarHBondContact O-CA 3.4Å; R363-Y860 WeakPolarHBondContact O-CB 3.27Å; I365-Y860 HydrophobicContact CD1-CD1 3.87Å; I365-Y860 HydrophobicContact CD1-CD2 4.15Å; I365-Y860 HydrophobicContact CD1-CE1 4.42Å; I365-Y860 HydrophobicContact CD1-CG 3.71Å; I365-Y860 HydrophobicContact CG1-CD1 3.5Å; I365-Y860 VanDerWaalsContact CG1-CD1 3.5Å; I365-Y860 HydrophobicContact CG1-CE1 3.97Å; I365-Y860 HydrophobicContact CG1-CG 3.88Å; F813-Y860 HydrophobicContact CB-CD2 3.89Å; F813-Y860 HydrophobicContact CB-CG 4.3Å; T814-Y860 HydrophobicContact CG2-CE2 4.16Å; N855-Y860 PolarHBondContact ND2-O 3.04Å; N858-Y860 PolarHBondContact ND2-O 3.23Å; N858-Y860 VanDerWaalsContact ND2-O 3.09Å; N858-Y860 PolarHBondContact O-N 3.23Å
861S94.7Very high94.1Very high28 Ų2850.6 Ų50.620%0.19625%0.245CC..  trans-74.6145.6170.5173.90000110.3R363 S863R363-S861 PolarHBondContact O-N 2.79Å; S861-S863 PolarHBondContact OG-N 2.9Å; S861-S863 PolarHBondContact OG-OG 2.92Å
862D95.2Very high94.3Very high31 Ų3144.2 Ų44.217%0.16622%0.221CC..  trans-1035.3177.359.6-16.3000113.9F813 N853 N855 Y864 Y865 V866F813-D862 HydrophobicContact CE2-CB 3.89Å; F813-D862 HydrophobicContact CZ-CB 4.28Å; N853-D862 PolarHBondContact ND2-OD2 2.69Å; N855-D862 HydrophobicContact CB-CB 4.21Å; N855-D862 WeakPolarHBondContact CB-OD2 3.48Å; N855-D862 VanDerWaalsContact CG-CG 3.45Å; N855-D862 PolarHBondContact ND2-OD1 3.45Å; D862-Y864 VanDerWaalsContact C-N 3.29Å; D862-Y864 PolarHBondContact O-N 3.48Å; D862-Y864 VanDerWaalsContact O-N 3.16Å; D862-Y865 WeakPolarHBondContact O-CA 3.34Å; D862-Y865 WeakPolarHBondContact O-CB 3.35Å; D862-Y865 PolarHBondContact O-N 3.28Å; D862-V866 HydrophobicContact CB-CG2 4.45Å; D862-V866 PolarHBondContact O-N 2.97Å
863S95.3Very high94.6Very high12 Ų1238.7 Ų38.78%0.08420%0.195CC..Hα-helixtrans-50.1-46.5-177.9-55.40000113.2S861 A867 Y916S861-S863 PolarHBondContact OG-N 2.9Å; S861-S863 PolarHBondContact OG-OG 2.92Å; S863-A867 VanDerWaalsContact O-CB 3.29Å; S863-A867 WeakPolarHBondContact O-CB 3.18Å; S863-A867 PolarHBondContact O-N 3.46Å; S863-Y916 PolarHBondContact OG-N 2.89Å
864Y96.5Very high94.6Very high41 Ų4138.3 Ų38.316%0.16119%0.192CC..Hα-helixtrans-71.1-29.6177.7-74.1-80.3000113.7V364 D366 D862 D868 Y916 T919V364-Y864 HydrophobicContact CG1-CD2 4.35Å; V364-Y864 HydrophobicContact CG1-CE2 3.74Å; D366-Y864 HydrophobicContact CB-CD1 4.27Å; D366-Y864 HydrophobicContact CB-CD2 3.86Å; D366-Y864 HydrophobicContact CB-CE1 4.17Å; D366-Y864 HydrophobicContact CB-CE2 3.76Å; D366-Y864 HydrophobicContact CB-CG 4.11Å; D862-Y864 VanDerWaalsContact C-N 3.29Å; D862-Y864 PolarHBondContact O-N 3.48Å; D862-Y864 VanDerWaalsContact O-N 3.16Å; Y864-D868 WeakPolarHBondContact O-CB 3.38Å; Y864-D868 PolarHBondContact O-N 3.38Å; Y864-D868 VanDerWaalsContact O-N 3.09Å; Y864-Y916 AromaticContact CE2-CD1 3.82Å; Y864-Y916 HydrophobicContact CE2-CD1 3.82Å; Y864-Y916 HydrophobicContact CE2-CE1 4.24Å; Y864-T919 HydrophobicContact CD1-CG2 4.45Å; Y864-T919 HydrophobicContact CE1-CG2 3.94Å
865Y96.7Very high94.7Very high4 Ų437.7 Ų37.72%0.01619%0.188CC..Hα-helixtrans-69.6-49.6175.2178.1-124.9000110.2F813 Q822 R823 V826 D862 A867 D868 L869F813-Y865 HydrophobicContact CZ-CD1 4.07Å; F813-Y865 HydrophobicContact CZ-CG 4.18Å; Q822-Y865 HydrophobicContact CG-CE2 3.98Å; Q822-Y865 VanDerWaalsContact NE2-CZ 3.3Å; Q822-Y865 PolarHBondContact NE2-OH 3.31Å; Q822-Y865 VanDerWaalsContact NE2-OH 3.08Å; R823-Y865 HydrophobicContact CG-CD2 3.77Å; V826-Y865 HydrophobicContact CG2-CE2 4.42Å; D862-Y865 WeakPolarHBondContact O-CA 3.34Å; D862-Y865 WeakPolarHBondContact O-CB 3.35Å; D862-Y865 PolarHBondContact O-N 3.28Å; Y865-A867 VanDerWaalsContact C-N 3.34Å; Y865-A867 PolarHBondContact O-N 3.02Å; Y865-D868 PolarHBondContact O-N 3.29Å; Y865-D868 VanDerWaalsContact O-N 3.11Å; Y865-L869 HydrophobicContact CD1-CD1 4.39Å; Y865-L869 HydrophobicContact CE1-CD1 3.99Å; Y865-L869 HydrophobicContact CE1-CG 4.4Å; Y865-L869 HydrophobicContact CE2-CD2 3.94Å; Y865-L869 HydrophobicContact CE2-CG 4.29Å; Y865-L869 WeakPolarHBondContact O-CG 3.44Å; Y865-L869 PolarHBondContact O-N 2.67Å
866V96.3Very high94.7Very high14 Ų1436.7 Ų36.79%0.08518%0.183CC..Hα-helixtrans-58.3-45.9175.3175.60000110.7L850 D862 D868 L869 V870 L906 V920L850-V866 HydrophobicContact CD1-CG1 3.84Å; D862-V866 HydrophobicContact CB-CG2 4.45Å; D862-V866 PolarHBondContact O-N 2.97Å; V866-D868 VanDerWaalsContact C-N 3.29Å; V866-D868 PolarHBondContact O-N 3.27Å; V866-L869 WeakPolarHBondContact O-CB 3.45Å; V866-L869 PolarHBondContact O-N 3.21Å; V866-V870 WeakPolarHBondContact O-CG2 3.4Å; V866-V870 PolarHBondContact O-N 3.44Å; V866-L906 HydrophobicContact CG1-CD2 4.46Å; V866-V920 HydrophobicContact CB-CG2 4.14Å; V866-V920 HydrophobicContact CG1-CG1 4.23Å; V866-V920 HydrophobicContact CG1-CG2 3.8Å
867A97Very high94.7Very high7 Ų732.3 Ų32.36%0.05815%0.152CC..Hα-helixtrans-57.6-40.8175.700000112.4S863 Y865 V870 K871 V920 V923S863-A867 VanDerWaalsContact O-CB 3.29Å; S863-A867 WeakPolarHBondContact O-CB 3.18Å; S863-A867 PolarHBondContact O-N 3.46Å; Y865-A867 VanDerWaalsContact C-N 3.34Å; Y865-A867 PolarHBondContact O-N 3.02Å; A867-V870 PolarHBondContact O-N 3.32Å; A867-K871 WeakPolarHBondContact O-CB 3.29Å; A867-K871 PolarHBondContact O-N 2.97Å; A867-V920 HydrophobicContact CB-CG2 4.49Å; A867-V923 HydrophobicContact CB-CG2 4.02Å
868D97.3Very high94.7Very high16 Ų1622.9 Ų22.99%0.08612%0.118CC..Hα-helixtrans-69.2-32.7174.8-85.2-25.6000113R823 K827 Y864 Y865 V866 K871 A872R823-D868 IonicContact CZ-OD2 3.03Å; R823-D868 VanDerWaalsContact CZ-OD2 3.25Å; R823-D868 IonicContact NE-OD2 3.86Å; R823-D868 PolarHBondContact NE-OD2 3.22Å; R823-D868 IonicContact NH2-OD2 3.59Å; R823-D868 PolarHBondContact NH2-OD2 3.41Å; K827-D868 HydrophobicContact CD-CB 4.3Å; K827-D868 WeakPolarHBondContact CD-OD1 2.99Å; K827-D868 WeakPolarHBondContact CE-OD2 3.4Å; K827-D868 HydrophobicContact CG-CB 4.4Å; K827-D868 VanDerWaalsContact NZ-CG 3.26Å; K827-D868 IonicContact NZ-OD1 3.72Å; K827-D868 PolarHBondContact NZ-OD1 2.97Å; K827-D868 VanDerWaalsContact NZ-OD1 3.13Å; K827-D868 IonicContact NZ-OD2 3.89Å; K827-D868 PolarHBondContact NZ-OD2 3.42Å; Y864-D868 WeakPolarHBondContact O-CB 3.38Å; Y864-D868 PolarHBondContact O-N 3.38Å; Y864-D868 VanDerWaalsContact O-N 3.09Å; Y865-D868 PolarHBondContact O-N 3.29Å; Y865-D868 VanDerWaalsContact O-N 3.11Å; V866-D868 VanDerWaalsContact C-N 3.29Å; V866-D868 PolarHBondContact O-N 3.27Å; D868-K871 PolarHBondContact O-N 3.46Å; D868-A872 VanDerWaalsContact O-CB 3.31Å; D868-A872 WeakPolarHBondContact O-CB 3.43Å; D868-A872 PolarHBondContact O-N 3.3Å
869L97Very high94.2Very high0 Ų026.7 Ų26.70%014%0.143CC..Hα-helixtrans-62.4-47.9171.9-64.6-178.3000110.8V826 I846 L849 L850 Y865 V866 K871 A872 M873V826-L869 HydrophobicContact CB-CD2 4.19Å; V826-L869 HydrophobicContact CG1-CD2 3.48Å; V826-L869 VanDerWaalsContact CG1-CD2 3.48Å; V826-L869 HydrophobicContact CG2-CD2 3.92Å; I846-L869 HydrophobicContact CG2-CB 4.38Å; I846-L869 HydrophobicContact CG2-CD2 4.43Å; L849-L869 HydrophobicContact CB-CD1 4.25Å; L849-L869 HydrophobicContact CB-CD2 4.26Å; L849-L869 HydrophobicContact CD1-CD2 4.1Å; L850-L869 HydrophobicContact CB-CD1 4.3Å; L850-L869 HydrophobicContact CD1-CB 4.43Å; L850-L869 HydrophobicContact CD1-CD1 4.14Å; Y865-L869 HydrophobicContact CD1-CD1 4.39Å; Y865-L869 HydrophobicContact CE1-CD1 3.99Å; Y865-L869 HydrophobicContact CE1-CG 4.4Å; Y865-L869 HydrophobicContact CE2-CD2 3.94Å; Y865-L869 HydrophobicContact CE2-CG 4.29Å; Y865-L869 WeakPolarHBondContact O-CG 3.44Å; Y865-L869 PolarHBondContact O-N 2.67Å; V866-L869 WeakPolarHBondContact O-CB 3.45Å; V866-L869 PolarHBondContact O-N 3.21Å; L869-K871 VanDerWaalsContact C-N 3.32Å; L869-K871 PolarHBondContact O-N 2.87Å; L869-A872 WeakPolarHBondContact O-CB 3.48Å; L869-A872 PolarHBondContact O-N 2.85Å; L869-M873 WeakPolarHBondContact O-CG 3.29Å; L869-M873 PolarHBondContact O-N 3.25Å
870V96.5Very high93.5Very high2 Ų225.4 Ų25.41%0.01214%0.138CC..Hα-helixtrans-63.6-40.3177.7-176.80000110.8V866 A867 A872 M873 K874 V903 L906 V923V866-V870 WeakPolarHBondContact O-CG2 3.4Å; V866-V870 PolarHBondContact O-N 3.44Å; A867-V870 PolarHBondContact O-N 3.32Å; V870-A872 VanDerWaalsContact C-N 3.33Å; V870-A872 PolarHBondContact O-N 2.97Å; V870-M873 PolarHBondContact O-N 2.93Å; V870-K874 WeakPolarHBondContact O-CB 3.19Å; V870-K874 PolarHBondContact O-N 3.11Å; V870-V903 HydrophobicContact CG1-CG2 4.26Å; V870-L906 HydrophobicContact CG2-CD1 3.25Å; V870-V923 HydrophobicContact CB-CG1 3.87Å; V870-V923 HydrophobicContact CG1-CB 4.43Å; V870-V923 HydrophobicContact CG1-CG1 3.79Å
871K96.3Very high92.6Very high87 Ų8723.6 Ų23.638%0.37813%0.132SC..Hα-helixtrans-61.7-44.5175.7-172.1173.1-180173.40110.8A867 D868 L869 K874 D875 V923A867-K871 WeakPolarHBondContact O-CB 3.29Å; A867-K871 PolarHBondContact O-N 2.97Å; D868-K871 PolarHBondContact O-N 3.46Å; L869-K871 VanDerWaalsContact C-N 3.32Å; L869-K871 PolarHBondContact O-N 2.87Å; K871-K874 WeakPolarHBondContact O-CB 3.4Å; K871-K874 PolarHBondContact O-N 3.11Å; K871-D875 PolarHBondContact O-N 3.19Å; K871-V923 HydrophobicContact CB-CG1 3.78Å
872A96.1Very high91.3Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-61.7-45.2175.600000111.4V826 S830 I846 D868 L869 V870 K874 D875 T876V826-A872 HydrophobicContact CG1-CB 3.63Å; S830-A872 WeakPolarHBondContact CB-O 3.4Å; I846-A872 HydrophobicContact CD1-CB 4Å; D868-A872 VanDerWaalsContact O-CB 3.31Å; D868-A872 WeakPolarHBondContact O-CB 3.43Å; D868-A872 PolarHBondContact O-N 3.3Å; L869-A872 WeakPolarHBondContact O-CB 3.48Å; L869-A872 PolarHBondContact O-N 2.85Å; V870-A872 VanDerWaalsContact C-N 3.33Å; V870-A872 PolarHBondContact O-N 2.97Å; A872-K874 PolarHBondContact O-N 3.5Å; A872-D875 PolarHBondContact O-N 2.9Å; A872-D875 VanDerWaalsContact O-N 3.14Å; A872-T876 WeakPolarHBondContact O-CG2 3.44Å; A872-T876 PolarHBondContact O-N 3.22Å
873M94.9Very high89.5Confident4 Ų430 Ų302%0.0217%0.168CC..Hα-helixtrans-56.8-48.8174.4-73.3-173.261.500112L843 I846 L850 L869 V870 D875 T876 T898 V899 E902L843-M873 HydrophobicContact CD1-CB 4.48Å; L843-M873 HydrophobicContact CD1-CE 4.03Å; L843-M873 HydrophobicContact CD1-CG 4.28Å; I846-M873 HydrophobicContact CB-CG 4.11Å; I846-M873 HydrophobicContact CG2-CG 3.36Å; I846-M873 HydrophobicContact CG2-SD 4.28Å; L850-M873 HydrophobicContact CD2-SD 4Å; L869-M873 WeakPolarHBondContact O-CG 3.29Å; L869-M873 PolarHBondContact O-N 3.25Å; V870-M873 PolarHBondContact O-N 2.93Å; M873-D875 VanDerWaalsContact C-N 3.25Å; M873-D875 PolarHBondContact O-N 3.12Å; M873-T876 WeakPolarHBondContact O-CB 3.45Å; M873-T876 PolarHBondContact O-N 3.34Å; M873-T876 VanDerWaalsContact O-N 3.14Å; M873-T876 PolarHBondContact O-OG1 3.49Å; M873-T898 HydrophobicContact CE-CG2 4.41Å; M873-V899 HydrophobicContact CB-CG2 4.41Å; M873-V899 HydrophobicContact CE-CB 4.46Å; M873-V899 HydrophobicContact CE-CG2 4.02Å; M873-E902 HydrophobicContact CE-CB 3.85Å; M873-E902 HydrophobicContact CE-CG 3.74Å; M873-E902 HydrophobicContact SD-CB 4.33Å; M873-E902 HydrophobicContact SD-CG 4.36Å
874K93Very high87.4Confident33 Ų3339.7 Ų39.714%0.14320%0.203CC..Hα-helixtrans-54.4-42.7175.4175.8-166.376.6171.90111.9V870 K871 A872 T876 L877 A926 A927 R930V870-K874 WeakPolarHBondContact O-CB 3.19Å; V870-K874 PolarHBondContact O-N 3.11Å; K871-K874 WeakPolarHBondContact O-CB 3.4Å; K871-K874 PolarHBondContact O-N 3.11Å; A872-K874 PolarHBondContact O-N 3.5Å; K874-T876 VanDerWaalsContact C-N 3.25Å; K874-T876 PolarHBondContact O-N 2.89Å; K874-L877 WeakPolarHBondContact O-CB 3.09Å; K874-L877 PolarHBondContact O-N 3Å; K874-A926 HydrophobicContact CD-CB 4.39Å; K874-A927 HydrophobicContact CB-CB 3.98Å; K874-A927 HydrophobicContact CD-CB 4.19Å; K874-A927 HydrophobicContact CG-CB 4.06Å; K874-R930 HydrophobicContact CD-CB 3.98Å; K874-R930 HydrophobicContact CD-CG 4.39Å; K874-R930 HydrophobicContact CG-CB 3.72Å; K874-R930 HydrophobicContact CG-CG 3.76Å
875D92.8Very high85.1Confident51 Ų5140.2 Ų40.227%0.27322%0.221SC..Hα-helixtrans-75.9-11-175.6-66.1-19.6000113.5R833 K871 A872 M873 L877R833-D875 PolarHBondContact NH2-O 3.42Å; K871-D875 PolarHBondContact O-N 3.19Å; A872-D875 PolarHBondContact O-N 2.9Å; A872-D875 VanDerWaalsContact O-N 3.14Å; M873-D875 VanDerWaalsContact C-N 3.25Å; M873-D875 PolarHBondContact O-N 3.12Å; D875-L877 VanDerWaalsContact C-N 3.26Å
876T92.5Very high82.9Confident4 Ų447.6 Ų47.63%0.02527%0.266CS..Hα-helixtrans-69.1-24.7168.170.90000112.7L843 I846 A872 M873 K874 T878L843-T876 HydrophobicContact CD1-CG2 4.36Å; I846-T876 HydrophobicContact CD1-CG2 4.2Å; A872-T876 WeakPolarHBondContact O-CG2 3.44Å; A872-T876 PolarHBondContact O-N 3.22Å; M873-T876 WeakPolarHBondContact O-CB 3.45Å; M873-T876 PolarHBondContact O-N 3.34Å; M873-T876 VanDerWaalsContact O-N 3.14Å; M873-T876 PolarHBondContact O-OG1 3.49Å; K874-T876 VanDerWaalsContact C-N 3.25Å; K874-T876 PolarHBondContact O-N 2.89Å; T876-T878 PolarHBondContact O-N 3.32Å
877L90.7Very high81.1Confident0 Ų049.6 Ų49.60%028%0.275CS..  trans-76.5118.7-178.5-58.8172.7000111.1K874 D875 E895 V899 R930 L931 L934 F936K874-L877 WeakPolarHBondContact O-CB 3.09Å; K874-L877 PolarHBondContact O-N 3Å; D875-L877 VanDerWaalsContact C-N 3.26Å; L877-E895 HydrophobicContact CD2-CB 4.26Å; L877-V899 HydrophobicContact CD1-CB 4.27Å; L877-V899 HydrophobicContact CD1-CG1 4.06Å; L877-V899 HydrophobicContact CD1-CG2 4.19Å; L877-V899 HydrophobicContact CD2-CG2 4.08Å; L877-V899 HydrophobicContact CG-CG2 4.18Å; L877-R930 PolarHBondContact O-NH2 2.94Å; L877-L931 HydrophobicContact CD1-CD2 3.45Å; L877-L931 VanDerWaalsContact CD1-CD2 3.45Å; L877-L931 HydrophobicContact CD1-CG 3.89Å; L877-L934 HydrophobicContact CB-CD1 3.6Å; L877-F936 HydrophobicContact CD2-CE2 4.39Å
878T86.7Confident79.6Confident8 Ų852.4 Ų52.45%0.04929%0.294CS..  trans-119.8154179.970.60000112.5Q836 T876 A880 I881Q836-T878 PolarHBondContact O-OG1 3.36Å; T876-T878 PolarHBondContact O-N 3.32Å; T878-A880 PolarHBondContact O-N 3.39Å; T878-A880 VanDerWaalsContact O-N 3.15Å; T878-I881 PolarHBondContact O-N 3.1Å
879P82.3Confident78.1Confident83 Ų8355.3 Ų55.354%0.53932%0.32SS..G310 helixtrans-58.5-24.2175.1-24.133.3000114.5I881 I882 L934P879-I881 PolarHBondContact O-N 3.11Å; P879-I881 VanDerWaalsContact O-N 3.15Å; P879-I882 HydrophobicContact CB-CD1 4.38Å; P879-I882 WeakPolarHBondContact O-CG1 3.25Å; P879-I882 PolarHBondContact O-N 3.41Å; P879-L934 HydrophobicContact CB-CD2 4.2Å; P879-L934 HydrophobicContact CG-CD2 3.75Å
880A78.9Confident76.8Confident42 Ų4259.5 Ų59.535%0.34735%0.349SS..G310 helixtrans-63.3-19.6-178.800000113.6Q836 V837 T878 I882Q836-A880 HydrophobicContact CB-CB 4.08Å; V837-A880 HydrophobicContact CG2-CB 3.94Å; T878-A880 PolarHBondContact O-N 3.39Å; T878-A880 VanDerWaalsContact O-N 3.15Å; A880-I882 VanDerWaalsContact C-N 3.3Å; A880-I882 PolarHBondContact O-N 2.78Å
881I77.4Confident76Confident28 Ų2862.8 Ų62.814%0.14437%0.37CS..G310 helixtrans-73.5-22.6179.6-60170.5000111.6V837 T878 P879 V883 P893 E895 F936V837-I881 HydrophobicContact CG1-CG1 4.26Å; T878-I881 PolarHBondContact O-N 3.1Å; P879-I881 PolarHBondContact O-N 3.11Å; P879-I881 VanDerWaalsContact O-N 3.15Å; I881-V883 VanDerWaalsContact C-N 3.3Å; I881-V883 PolarHBondContact O-N 2.99Å; I881-P893 HydrophobicContact CG2-CB 3.85Å; I881-P893 HydrophobicContact CG2-CG 3.74Å; I881-E895 HydrophobicContact CD1-CB 4.42Å; I881-F936 HydrophobicContact CB-CZ 3.9Å; I881-F936 HydrophobicContact CG2-CE1 3.91Å; I881-F936 HydrophobicContact CG2-CZ 3.65Å
882I68Low75.4Confident64 Ų6460.1 Ų60.133%0.32836%0.359SS..G310 helixtrans-78.6-1.7-166.5-53.6162.3000114P879 A880 R884 L934 F936P879-I882 HydrophobicContact CB-CD1 4.38Å; P879-I882 WeakPolarHBondContact O-CG1 3.25Å; P879-I882 PolarHBondContact O-N 3.41Å; A880-I882 VanDerWaalsContact C-N 3.3Å; A880-I882 PolarHBondContact O-N 2.78Å; I882-R884 PolarHBondContact O-N 2.8Å; I882-L934 HydrophobicContact CD1-CB 3.89Å; I882-L934 HydrophobicContact CD1-CD2 4.02Å; I882-L934 WeakPolarHBondContact CD1-O 3.49Å; I882-L934 HydrophobicContact CG1-CB 4.5Å; I882-L934 WeakPolarHBondContact CG1-O 3.32Å; I882-F936 HydrophobicContact CG1-CE1 4.29Å; I882-F936 HydrophobicContact CG1-CZ 4.03Å
883V58.2Low75Confident129 Ų12961.3 Ų61.378%0.78237%0.367SS*.THydrogen-bonded Turntrans-60.911.1-168.8-178.70000115.2I881I881-V883 VanDerWaalsContact C-N 3.3Å; I881-V883 PolarHBondContact O-N 2.99Å
884R51Low74.6Confident217 Ų21766.1 Ų66.182%0.81939%0.388SS*.THydrogen-bonded Turntrans-125.331.8-177.6-66.3-168.9174.7179.30.5117.4I882 M887I882-R884 PolarHBondContact O-N 2.8Å; R884-M887 HydrophobicContact CB-CE 4.39Å
885G47.2Very low74.5Confident52 Ų5265.5 Ų65.554%0.53639%0.386SS..  trans72.1178.8165.100000115.1M887G885-M887 WeakPolarHBondContact O-CG 3.31Å; G885-M887 PolarHBondContact O-N 2.87Å
886V49.9Very low74.3Confident159 Ų15963.1 Ų63.196%0.96437%0.373SS*.SBendtrans-60.4119.2-174.4-175.90000110.4
887M59.6Low74.2Confident56 Ų5667.8 Ų67.828%0.27639%0.39SS..PPolyproline II helixtrans-99.8130.1-168.2-53.5-157.194.200111.6R884 G885 T891 P893R884-M887 HydrophobicContact CB-CE 4.39Å; G885-M887 WeakPolarHBondContact O-CG 3.31Å; G885-M887 PolarHBondContact O-N 2.87Å; M887-T891 WeakPolarHBondContact CA-OG1 3.44Å; M887-T891 WeakPolarHBondContact CB-OG1 3.18Å; M887-T891 WeakPolarHBondContact CE-O 3.28Å; M887-P893 VanDerWaalsContact SD-CD 3.6Å; M887-P893 HydrophobicContact SD-CG 4.02Å
888S64.9Low74.3Confident66 Ų6668.2 Ų68.246%0.46239%0.393SS..PPolyproline II helixtrans-68.4154.3159.7152.70000109.5S890 T891 L892S888-S890 PolarHBondContact O-N 2.95Å; S888-S890 PolarHBondContact OG-N 3.38Å; S888-S890 PolarHBondContact OG-OG 3.06Å; S888-T891 PolarHBondContact N-OG1 3.38Å; S888-T891 PolarHBondContact O-N 3.28Å; S888-T891 PolarHBondContact O-OG1 3.38Å; S888-L892 PolarHBondContact O-N 3.02Å
889A65.7Low74.7Confident76 Ų7667.8 Ų67.863%0.62839%0.391SS*.G310 helixtrans-52-29.9174.600000113.2T891 R897A889-T891 VanDerWaalsContact C-N 3.3Å; A889-T891 PolarHBondContact O-N 2.95Å; A889-R897 PolarHBondContact O-NH2 3.22Å
890S70.6Confident75.3Confident88 Ų8865.5 Ų65.562%0.61537%0.373SS*.G310 helixtrans-72.7-21.1176.864.70000113.9S888S888-S890 PolarHBondContact O-N 2.95Å; S888-S890 PolarHBondContact OG-N 3.38Å; S888-S890 PolarHBondContact OG-OG 3.06Å
891T79.8Confident76Confident72 Ų7268.2 Ų68.244%0.44238%0.379SS..G310 helixtrans-101.7-1-175.652.70000114M887 S888 A889M887-T891 WeakPolarHBondContact CA-OG1 3.44Å; M887-T891 WeakPolarHBondContact CB-OG1 3.18Å; M887-T891 WeakPolarHBondContact CE-O 3.28Å; S888-T891 PolarHBondContact N-OG1 3.38Å; S888-T891 PolarHBondContact O-N 3.28Å; S888-T891 PolarHBondContact O-OG1 3.38Å; A889-T891 VanDerWaalsContact C-N 3.3Å; A889-T891 PolarHBondContact O-N 2.95Å
892L83.7Confident76.8Confident30 Ų3067.5 Ų67.516%0.15738%0.375CS..  trans-55135-179.1-79.3165.8000112S888 A896 I900 F936S888-L892 PolarHBondContact O-N 3.02Å; L892-A896 HydrophobicContact CD2-CB 4.26Å; L892-I900 HydrophobicContact CD1-CD1 3.99Å; L892-F936 HydrophobicContact CD2-CB 4.18Å; L892-F936 HydrophobicContact CD2-CD1 4.34Å; L892-F936 WeakPolarHBondContact CD2-O 3.47Å
893P86.2Confident78.2Confident26 Ų2664.7 Ų64.717%0.16936%0.361CS..  trans-57.9149.9173-22.534.8000110.6I881 M887 E895 A896 R897 F936I881-P893 HydrophobicContact CG2-CB 3.85Å; I881-P893 HydrophobicContact CG2-CG 3.74Å; M887-P893 VanDerWaalsContact SD-CD 3.6Å; M887-P893 HydrophobicContact SD-CG 4.02Å; P893-E895 WeakPolarHBondContact CB-OE2 3.34Å; P893-E895 PolarHBondContact O-N 3.48Å; P893-E895 VanDerWaalsContact O-N 3.15Å; P893-A896 PolarHBondContact O-N 3.37Å; P893-A896 VanDerWaalsContact O-N 3.14Å; P893-R897 PolarHBondContact O-N 3.04Å; P893-F936 HydrophobicContact CG-CE1 4.02Å
894F87.9Confident79.9Confident104 Ų10461.1 Ų61.146%0.45634%0.342SS..Hα-helixtrans-51.4-40.6-179.7168-101.8000111.7I844 R897 T898I844-F894 HydrophobicContact CD1-CE1 4.44Å; I844-F894 HydrophobicContact CD1-CZ 4.43Å; I844-F894 HydrophobicContact CG1-CE1 4.08Å; I844-F894 HydrophobicContact CG1-CZ 4.02Å; F894-R897 PolarHBondContact O-N 3.43Å; F894-T898 WeakPolarHBondContact O-CB 3.37Å; F894-T898 PolarHBondContact O-N 3.13Å; F894-T898 PolarHBondContact O-OG1 2.85Å
895E89.5Confident82Confident21 Ų2156.1 Ų56.110%0.09833%0.327CS..Hα-helixtrans-64.5-49.1-178.3-56.191.3149.900111.7H840 L843 L877 I881 P893 T898 V899H840-E895 IonicContact CD2-OE1 3.68Å; H840-E895 IonicContact CE1-OE1 2.83Å; H840-E895 PolarHBondContact CE1-OE1 3.04Å; H840-E895 IonicContact ND1-OE1 2.91Å; H840-E895 IonicContact NE2-OE1 3.2Å; H840-E895 PolarHBondContact NE2-OE1 3.04Å; L843-E895 VanDerWaalsContact CD2-CA 3.44Å; L843-E895 HydrophobicContact CD2-CB 3.73Å; L843-E895 HydrophobicContact CD2-CG 3.98Å; L877-E895 HydrophobicContact CD2-CB 4.26Å; I881-E895 HydrophobicContact CD1-CB 4.42Å; P893-E895 WeakPolarHBondContact CB-OE2 3.34Å; P893-E895 PolarHBondContact O-N 3.48Å; P893-E895 VanDerWaalsContact O-N 3.15Å; E895-T898 PolarHBondContact O-N 2.89Å; E895-V899 WeakPolarHBondContact O-CG2 3.36Å; E895-V899 PolarHBondContact O-N 2.81Å; E895-V899 VanDerWaalsContact O-N 3.11Å
896A89.8Confident84.3Confident0 Ų054.3 Ų54.30%031%0.305CS..Hα-helixtrans-65.4-42.6178.800000111.5L892 P893 T898 V899 I900 L931 F936L892-A896 HydrophobicContact CD2-CB 4.26Å; P893-A896 PolarHBondContact O-N 3.37Å; P893-A896 VanDerWaalsContact O-N 3.14Å; A896-T898 PolarHBondContact O-N 3.38Å; A896-V899 PolarHBondContact O-N 3.41Å; A896-I900 WeakPolarHBondContact O-CB 3.31Å; A896-I900 WeakPolarHBondContact O-CD1 3.08Å; A896-I900 WeakPolarHBondContact O-CG1 3.45Å; A896-I900 PolarHBondContact O-N 3.32Å; A896-L931 HydrophobicContact CB-CD2 4.44Å; A896-F936 HydrophobicContact CB-CB 4.13Å; A896-F936 HydrophobicContact CB-CD1 3.72Å; A896-F936 HydrophobicContact CB-CD2 4.1Å; A896-F936 HydrophobicContact CB-CE1 4.12Å; A896-F936 HydrophobicContact CB-CE2 4.43Å; A896-F936 HydrophobicContact CB-CG 3.72Å; A896-F936 HydrophobicContact CB-CZ 4.45Å
897R91.3Very high86.4Confident102 Ų10248 Ų4839%0.38527%0.266SS..Hα-helixtrans-59.5-48177.4178.6176.2-71.7166.31111.2A889 P893 F894 V899 I900 E901A889-R897 PolarHBondContact O-NH2 3.22Å; P893-R897 PolarHBondContact O-N 3.04Å; F894-R897 PolarHBondContact O-N 3.43Å; R897-V899 PolarHBondContact O-N 2.89Å; R897-I900 PolarHBondContact O-N 3Å; R897-E901 WeakPolarHBondContact CD-OE1 3.49Å; R897-E901 HydrophobicContact CG-CG 4.28Å; R897-E901 WeakPolarHBondContact CG-OE1 3.43Å; R897-E901 WeakPolarHBondContact O-CB 3.3Å; R897-E901 WeakPolarHBondContact O-CG 3.22Å; R897-E901 PolarHBondContact O-N 3.45Å
898T92.7Very high88.1Confident9 Ų950.3 Ų50.36%0.05528%0.279CS..Hα-helixtrans-59.6-46.7179.8-54.70000110.9L843 M873 F894 E895 A896 I900 E901 E902L843-T898 HydrophobicContact CD2-CG2 4.47Å; L843-T898 HydrophobicContact CG-CG2 4.42Å; M873-T898 HydrophobicContact CE-CG2 4.41Å; F894-T898 WeakPolarHBondContact O-CB 3.37Å; F894-T898 PolarHBondContact O-N 3.13Å; F894-T898 PolarHBondContact O-OG1 2.85Å; E895-T898 PolarHBondContact O-N 2.89Å; A896-T898 PolarHBondContact O-N 3.38Å; T898-I900 PolarHBondContact O-N 3.12Å; T898-E901 PolarHBondContact O-N 3.25Å; T898-E902 WeakPolarHBondContact O-CG 3.49Å; T898-E902 PolarHBondContact O-N 2.77Å; T898-E902 VanDerWaalsContact O-N 3.07Å
899V94.3Very high89.4Confident0 Ų050.8 Ų50.80%028%0.276CS..Hα-helixtrans-63.9-40.8178.3178.80000111.7L843 M873 L877 E895 A896 R897 V903 L931L843-V899 HydrophobicContact CD1-CG2 4.12Å; M873-V899 HydrophobicContact CB-CG2 4.41Å; M873-V899 HydrophobicContact CE-CB 4.46Å; M873-V899 HydrophobicContact CE-CG2 4.02Å; L877-V899 HydrophobicContact CD1-CB 4.27Å; L877-V899 HydrophobicContact CD1-CG1 4.06Å; L877-V899 HydrophobicContact CD1-CG2 4.19Å; L877-V899 HydrophobicContact CD2-CG2 4.08Å; L877-V899 HydrophobicContact CG-CG2 4.18Å; E895-V899 WeakPolarHBondContact O-CG2 3.36Å; E895-V899 PolarHBondContact O-N 2.81Å; E895-V899 VanDerWaalsContact O-N 3.11Å; A896-V899 PolarHBondContact O-N 3.41Å; R897-V899 PolarHBondContact O-N 2.89Å; V899-V903 HydrophobicContact CG1-CG2 4.07Å; V899-V903 VanDerWaalsContact O-CB 3.27Å; V899-V903 WeakPolarHBondContact O-CB 3.05Å; V899-V903 WeakPolarHBondContact O-CG2 3.49Å; V899-V903 PolarHBondContact O-N 3.17Å; V899-L931 HydrophobicContact CG1-CD1 4.25Å
900I94.1Very high90.6Very high34 Ų3448.2 Ų48.217%0.17425%0.251CS..Hα-helixtrans-63.8-45.4178.1-70.4162.8000111.3L892 A896 R897 T898 S904 L931 L937L892-I900 HydrophobicContact CD1-CD1 3.99Å; A896-I900 WeakPolarHBondContact O-CB 3.31Å; A896-I900 WeakPolarHBondContact O-CD1 3.08Å; A896-I900 WeakPolarHBondContact O-CG1 3.45Å; A896-I900 PolarHBondContact O-N 3.32Å; R897-I900 PolarHBondContact O-N 3Å; T898-I900 PolarHBondContact O-N 3.12Å; I900-S904 VanDerWaalsContact O-CB 3.27Å; I900-S904 WeakPolarHBondContact O-CB 3.4Å; I900-S904 PolarHBondContact O-N 3.37Å; I900-S904 PolarHBondContact O-OG 3.22Å; I900-L931 HydrophobicContact CD1-CD2 4.39Å; I900-L931 HydrophobicContact CG1-CD1 3.69Å; I900-L931 HydrophobicContact CG1-CD2 4.12Å; I900-L937 HydrophobicContact CD1-CD2 3.84Å; I900-L937 HydrophobicContact CD1-CG 4.25Å; I900-L937 HydrophobicContact CG1-CD2 4.37Å
901E94.3Very high91.5Very high99 Ų9948.7 Ų48.746%0.46325%0.254SS..Hα-helixtrans-61.7-48.9-179.9-74.8172.4-175.100111.1R897 T898 S904 H905R897-E901 WeakPolarHBondContact CD-OE1 3.49Å; R897-E901 HydrophobicContact CG-CG 4.28Å; R897-E901 WeakPolarHBondContact CG-OE1 3.43Å; R897-E901 WeakPolarHBondContact O-CB 3.3Å; R897-E901 WeakPolarHBondContact O-CG 3.22Å; R897-E901 PolarHBondContact O-N 3.45Å; T898-E901 PolarHBondContact O-N 3.25Å; E901-S904 PolarHBondContact O-N 2.82Å; E901-H905 WeakPolarHBondContact O-CB 3.33Å; E901-H905 PolarHBondContact O-N 2.86Å
902E95Very high92Very high13 Ų1352.9 Ų52.96%0.06127%0.269CS..Hα-helixtrans-66.5-43.6179.4-64.7-55.2145.700112.4L850 R851 M873 T898 S904 H905 L906L850-E902 HydrophobicContact CD2-CB 4.02Å; L850-E902 HydrophobicContact CD2-CG 4.27Å; R851-E902 IonicContact CZ-OE1 3.79Å; R851-E902 IonicContact NE-OE1 3.47Å; R851-E902 PolarHBondContact NE-OE1 3.17Å; R851-E902 IonicContact NH2-OE1 3.44Å; R851-E902 PolarHBondContact NH2-OE1 3.36Å; M873-E902 HydrophobicContact CE-CB 3.85Å; M873-E902 HydrophobicContact CE-CG 3.74Å; M873-E902 HydrophobicContact SD-CB 4.33Å; M873-E902 HydrophobicContact SD-CG 4.36Å; T898-E902 WeakPolarHBondContact O-CG 3.49Å; T898-E902 PolarHBondContact O-N 2.77Å; T898-E902 VanDerWaalsContact O-N 3.07Å; E902-S904 VanDerWaalsContact C-N 3.33Å; E902-S904 PolarHBondContact O-N 3.49Å; E902-H905 PolarHBondContact O-N 3.48Å; E902-L906 WeakPolarHBondContact O-CB 3.49Å; E902-L906 WeakPolarHBondContact O-CG 3.35Å; E902-L906 PolarHBondContact O-N 2.95Å
903V95.9Very high92.2Very high5 Ų555.7 Ų55.73%0.0329%0.288CS..Hα-helixtrans-63.9-40.4177.7169.40000111.1V870 V899 L906 L907 C924 A927 I928V870-V903 HydrophobicContact CG1-CG2 4.26Å; V899-V903 HydrophobicContact CG1-CG2 4.07Å; V899-V903 VanDerWaalsContact O-CB 3.27Å; V899-V903 WeakPolarHBondContact O-CB 3.05Å; V899-V903 WeakPolarHBondContact O-CG2 3.49Å; V899-V903 PolarHBondContact O-N 3.17Å; V903-L906 PolarHBondContact O-N 3.16Å; V903-L907 HydrophobicContact CG1-CD1 4.12Å; V903-L907 WeakPolarHBondContact O-CB 3.32Å; V903-L907 WeakPolarHBondContact O-CG 3.34Å; V903-L907 PolarHBondContact O-N 3.37Å; V903-C924 HydrophobicContact CG1-CB 3.89Å; V903-A927 HydrophobicContact CG2-CB 3.94Å; V903-I928 HydrophobicContact CG1-CD1 4.22Å; V903-I928 HydrophobicContact CG1-CG1 4.01Å
904S94.8Very high92.4Very high55 Ų5559.8 Ų59.839%0.38531%0.307SS..Hα-helixtrans-66.2-41.7177-56.40000111.3I900 E901 E902 L907 N908I900-S904 VanDerWaalsContact O-CB 3.27Å; I900-S904 WeakPolarHBondContact O-CB 3.4Å; I900-S904 PolarHBondContact O-N 3.37Å; I900-S904 PolarHBondContact O-OG 3.22Å; E901-S904 PolarHBondContact O-N 2.82Å; E902-S904 VanDerWaalsContact C-N 3.33Å; E902-S904 PolarHBondContact O-N 3.49Å; S904-L907 PolarHBondContact O-N 3.15Å; S904-N908 VanDerWaalsContact O-CG 3.23Å; S904-N908 PolarHBondContact O-N 3.14Å; S904-N908 VanDerWaalsContact O-N 3.08Å; S904-N908 PolarHBondContact O-ND2 3.4Å
905H94.8Very high92.6Very high112 Ų11255.5 Ų55.552%0.51929%0.29SS..Hα-helixtrans-60.7-47.1176178.454.7000111.6E901 E902 N908 L909E901-H905 WeakPolarHBondContact O-CB 3.33Å; E901-H905 PolarHBondContact O-N 2.86Å; E902-H905 PolarHBondContact O-N 3.48Å; H905-N908 PolarHBondContact O-N 2.92Å; H905-L909 PolarHBondContact O-N 3.43Å
906L95.3Very high92.8Very high13 Ų1356.7 Ų56.77%0.06829%0.294CS..Hα-helixtrans-64.9-39.6178.5-72.4174.8000113L850 V866 V870 E902 V903 N908 L909 E910 V920L850-L906 HydrophobicContact CD1-CD1 4.28Å; L850-L906 HydrophobicContact CD1-CD2 4.41Å; L850-L906 HydrophobicContact CD2-CD1 3.92Å; L850-L906 HydrophobicContact CD2-CG 4.48Å; V866-L906 HydrophobicContact CG1-CD2 4.46Å; V870-L906 HydrophobicContact CG2-CD1 3.25Å; E902-L906 WeakPolarHBondContact O-CB 3.49Å; E902-L906 WeakPolarHBondContact O-CG 3.35Å; E902-L906 PolarHBondContact O-N 2.95Å; V903-L906 PolarHBondContact O-N 3.16Å; L906-N908 VanDerWaalsContact C-N 3.3Å; L906-N908 PolarHBondContact O-N 2.97Å; L906-L909 PolarHBondContact O-N 3.37Å; L906-E910 WeakPolarHBondContact O-CB 3.37Å; L906-E910 VanDerWaalsContact O-CG 3.24Å; L906-E910 WeakPolarHBondContact O-CG 3.3Å; L906-E910 PolarHBondContact O-N 3.39Å; L906-V920 HydrophobicContact CB-CG1 4.29Å; L906-V920 HydrophobicContact CD1-CG1 4.16Å; L906-V920 HydrophobicContact CD2-CG1 4.48Å
907L94.8Very high92.9Very high26 Ų2658.3 Ų58.314%0.13630%0.301CS..Hα-helixtrans-64.5-36.1175.7-76174.5000112.3V903 S904 S911 T921 C924 I928V903-L907 HydrophobicContact CG1-CD1 4.12Å; V903-L907 WeakPolarHBondContact O-CB 3.32Å; V903-L907 WeakPolarHBondContact O-CG 3.34Å; V903-L907 PolarHBondContact O-N 3.37Å; S904-L907 PolarHBondContact O-N 3.15Å; L907-S911 PolarHBondContact O-N 2.78Å; L907-S911 VanDerWaalsContact O-N 3.16Å; L907-T921 HydrophobicContact CD2-CG2 4.05Å; L907-C924 HydrophobicContact CD1-CB 4.21Å; L907-C924 HydrophobicContact CD2-CB 3.62Å; L907-C924 HydrophobicContact CG-CB 3.8Å; L907-I928 HydrophobicContact CD1-CD1 3.69Å
908N94.4Very high93Very high105 Ų10553.4 Ų53.456%0.56128%0.282SS*.Hα-helixtrans-67-42.5173.4-66.2-26.4000110.9S904 H905 L906 S911S904-N908 VanDerWaalsContact O-CG 3.23Å; S904-N908 PolarHBondContact O-N 3.14Å; S904-N908 VanDerWaalsContact O-N 3.08Å; S904-N908 PolarHBondContact O-ND2 3.4Å; H905-N908 PolarHBondContact O-N 2.92Å; L906-N908 VanDerWaalsContact C-N 3.3Å; L906-N908 PolarHBondContact O-N 2.97Å; N908-S911 WeakPolarHBondContact O-CB 3.42Å; N908-S911 PolarHBondContact O-N 3.23Å; N908-S911 PolarHBondContact O-OG 3.23Å
909L92.1Very high93.2Very high77 Ų7753.9 Ų53.940%0.40329%0.285SS..Hα-helixtrans-62.8-42.6176.2-171.472.4000112H905 L906 S911 E912 T913H905-L909 PolarHBondContact O-N 3.43Å; L906-L909 PolarHBondContact O-N 3.37Å; L909-S911 PolarHBondContact O-N 2.96Å; L909-E912 PolarHBondContact O-N 3.08Å; L909-T913 PolarHBondContact O-N 3.16Å
910E92.4Very high93.3Very high22 Ų2254.1 Ų54.110%0.10329%0.287CS..Hα-helixtrans-64.7-23177.1-73.9-85124.100112.7L906 E912 T913 S915 V920 T921L906-E910 WeakPolarHBondContact O-CB 3.37Å; L906-E910 VanDerWaalsContact O-CG 3.24Å; L906-E910 WeakPolarHBondContact O-CG 3.3Å; L906-E910 PolarHBondContact O-N 3.39Å; E910-E912 VanDerWaalsContact C-N 3.28Å; E910-T913 WeakPolarHBondContact CA-O 3.41Å; E910-S915 VanDerWaalsContact CD-OG 3.26Å; E910-S915 WeakPolarHBondContact OE1-CB 3.39Å; E910-S915 PolarHBondContact OE1-N 2.91Å; E910-S915 PolarHBondContact OE1-OG 3.34Å; E910-S915 PolarHBondContact OE2-N 3.38Å; E910-S915 PolarHBondContact OE2-OG 3.42Å; E910-V920 HydrophobicContact CG-CB 4.22Å; E910-V920 HydrophobicContact CG-CG1 4.2Å; E910-T921 WeakPolarHBondContact CB-OG1 3.42Å; E910-T921 WeakPolarHBondContact CG-OG1 3.5Å; E910-T921 PolarHBondContact OE2-N 2.93Å; E910-T921 PolarHBondContact OE2-OG1 3.49Å
911S88.5Confident93.4Very high97 Ų9752.9 Ų52.968%0.67828%0.281SS*.Hα-helixtrans-73.4-21.317479.30000113.2L907 N908 L909L907-S911 PolarHBondContact O-N 2.78Å; L907-S911 VanDerWaalsContact O-N 3.16Å; N908-S911 WeakPolarHBondContact O-CB 3.42Å; N908-S911 PolarHBondContact O-N 3.23Å; N908-S911 PolarHBondContact O-OG 3.23Å; L909-S911 PolarHBondContact O-N 2.96Å
912E89.7Confident93.5Very high160 Ų16050 Ų5075%0.74827%0.269SS*.Hα-helixtrans-94.1-49.6175.1-62.3-179.7177.900110.9L909 E910L909-E912 PolarHBondContact O-N 3.08Å; E910-E912 VanDerWaalsContact C-N 3.28Å
913T88.1Confident93.6Very high90 Ų9050.3 Ų50.355%0.55227%0.273SS*.SBendtrans-132.3108.8-179.7570000110.4L909 E910L909-T913 PolarHBondContact O-N 3.16Å; E910-T913 WeakPolarHBondContact CA-O 3.41Å
914I90.1Very high93.7Very high111 Ų11150.1 Ų50.157%0.56927%0.271SS*.PPolyproline II helixtrans-75.4131.5-178.3-159.5166.2000111.2I956I914-I956 HydrophobicContact CD1-CD1 4.21Å
915S93.6Very high93.8Very high14 Ų1447.5 Ų47.510%0.09825%0.253CS..PPolyproline II helixtrans-59.9163.5168.4550000111.5E910 K917 G918 T919 V920E910-S915 VanDerWaalsContact CD-OG 3.26Å; E910-S915 WeakPolarHBondContact OE1-CB 3.39Å; E910-S915 PolarHBondContact OE1-N 2.91Å; E910-S915 PolarHBondContact OE1-OG 3.34Å; E910-S915 PolarHBondContact OE2-N 3.38Å; E910-S915 PolarHBondContact OE2-OG 3.42Å; S915-K917 PolarHBondContact O-N 3.22Å; S915-G918 PolarHBondContact O-N 3.02Å; S915-G918 WeakPolarHBondContact OG-CA 3.39Å; S915-T919 PolarHBondContact OG-N 3.48Å; S915-V920 PolarHBondContact OG-N 3.45Å; S915-V920 VanDerWaalsContact OG-N 3.13Å
916Y93.3Very high93.9Very high46 Ų4643.9 Ų43.918%0.1824%0.243CC..G310 helixtrans-52.2118.6174.7179.8-104.5000109.9L359 V364 Q367 S863 Y864 G918 T919L359-Y916 PolarHBondContact O-OH 3.34Å; V364-Y916 HydrophobicContact CG1-CD1 3.84Å; V364-Y916 HydrophobicContact CG1-CE1 3.85Å; V364-Y916 HydrophobicContact CG1-CG 4.24Å; V364-Y916 HydrophobicContact CG2-CD2 4Å; V364-Y916 HydrophobicContact CG2-CE2 4.33Å; V364-Y916 HydrophobicContact CG2-CG 4.1Å; Q367-Y916 HydrophobicContact CB-CE1 4.04Å; Q367-Y916 HydrophobicContact CG-CE1 4.35Å; Q367-Y916 VanDerWaalsContact CG-OH 3.26Å; Q367-Y916 WeakPolarHBondContact CG-OH 3.41Å; S863-Y916 PolarHBondContact OG-N 2.89Å; Y864-Y916 AromaticContact CE2-CD1 3.82Å; Y864-Y916 HydrophobicContact CE2-CD1 3.82Å; Y864-Y916 HydrophobicContact CE2-CE1 4.24Å; Y916-G918 PolarHBondContact O-N 3.43Å; Y916-G918 VanDerWaalsContact O-N 3.16Å; Y916-T919 WeakPolarHBondContact O-CB 3.43Å; Y916-T919 VanDerWaalsContact O-CG2 3.24Å; Y916-T919 WeakPolarHBondContact O-CG2 3.48Å; Y916-T919 PolarHBondContact O-N 3.49Å; Y916-T919 VanDerWaalsContact O-N 3.14Å; Y916-T919 PolarHBondContact O-OG1 2.92Å
917K91.9Very high94Very high34 Ų3443.3 Ų43.315%0.14824%0.24CC..G310 helixtrans57.217.8-175.1-66.1179.3170.5179.10116D357 S915 T919 Y953D357-K917 WeakPolarHBondContact O-CE 3.13Å; D357-K917 PolarHBondContact O-NZ 2.91Å; S915-K917 PolarHBondContact O-N 3.22Å; K917-T919 HydrophobicContact CB-CG2 4.4Å; K917-T919 PolarHBondContact O-N 3.45Å; K917-Y953 HydrophobicContact CB-CD1 4.11Å; K917-Y953 HydrophobicContact CB-CE1 3.62Å; K917-Y953 HydrophobicContact CD-CE1 4.12Å; K917-Y953 WeakPolarHBondContact CE-OH 3.49Å; K917-Y953 HydrophobicContact CG-CE1 3.77Å; K917-Y953 WeakPolarHBondContact O-CD1 3.39Å
918G94.1Very high94.1Very high0 Ų043 Ų430%024%0.238CC..G310 helixtrans60.331.3-172.300000113S915 Y916 V920 T921 V922S915-G918 PolarHBondContact O-N 3.02Å; S915-G918 WeakPolarHBondContact OG-CA 3.39Å; Y916-G918 PolarHBondContact O-N 3.43Å; Y916-G918 VanDerWaalsContact O-N 3.16Å; G918-V920 PolarHBondContact O-N 3.13Å; G918-T921 WeakPolarHBondContact O-CB 3.48Å; G918-T921 PolarHBondContact O-N 3.06Å; G918-V922 PolarHBondContact O-N 3.21Å
919T95.3Very high94.1Very high19 Ų1938.4 Ų38.412%0.11721%0.213CC..Hα-helixtrans-56.5-34.4-178.240.50000112.8Y864 S915 Y916 K917 V923Y864-T919 HydrophobicContact CD1-CG2 4.45Å; Y864-T919 HydrophobicContact CE1-CG2 3.94Å; S915-T919 PolarHBondContact OG-N 3.48Å; Y916-T919 WeakPolarHBondContact O-CB 3.43Å; Y916-T919 VanDerWaalsContact O-CG2 3.24Å; Y916-T919 WeakPolarHBondContact O-CG2 3.48Å; Y916-T919 PolarHBondContact O-N 3.49Å; Y916-T919 VanDerWaalsContact O-N 3.14Å; Y916-T919 PolarHBondContact O-OG1 2.92Å; K917-T919 HydrophobicContact CB-CG2 4.4Å; K917-T919 PolarHBondContact O-N 3.45Å; T919-V923 PolarHBondContact O-N 3.28Å
920V96.7Very high94.2Very high4 Ų438.2 Ų38.22%0.02421%0.207CC..Hα-helixtrans-71-44.5175.4178.70000110.6V866 A867 L906 E910 S915 G918 V922 V923 C924V866-V920 HydrophobicContact CB-CG2 4.14Å; V866-V920 HydrophobicContact CG1-CG1 4.23Å; V866-V920 HydrophobicContact CG1-CG2 3.8Å; A867-V920 HydrophobicContact CB-CG2 4.49Å; L906-V920 HydrophobicContact CB-CG1 4.29Å; L906-V920 HydrophobicContact CD1-CG1 4.16Å; L906-V920 HydrophobicContact CD2-CG1 4.48Å; E910-V920 HydrophobicContact CG-CB 4.22Å; E910-V920 HydrophobicContact CG-CG1 4.2Å; S915-V920 PolarHBondContact OG-N 3.45Å; S915-V920 VanDerWaalsContact OG-N 3.13Å; G918-V920 PolarHBondContact O-N 3.13Å; V920-V922 VanDerWaalsContact C-N 3.34Å; V920-V922 PolarHBondContact O-N 3.46Å; V920-V923 PolarHBondContact O-N 2.87Å; V920-C924 PolarHBondContact O-N 3.41Å; V920-C924 PolarHBondContact O-SG 3.1Å
921T96.8Very high94.2Very high8 Ų837.2 Ų37.25%0.04920%0.202CC..Hα-helixtrans-56.6-45175.2-62.70000112L907 E910 G918 V923 C924 L925 Y947 I956L907-T921 HydrophobicContact CD2-CG2 4.05Å; E910-T921 WeakPolarHBondContact CB-OG1 3.42Å; E910-T921 WeakPolarHBondContact CG-OG1 3.5Å; E910-T921 PolarHBondContact OE2-N 2.93Å; E910-T921 PolarHBondContact OE2-OG1 3.49Å; G918-T921 WeakPolarHBondContact O-CB 3.48Å; G918-T921 PolarHBondContact O-N 3.06Å; T921-V923 VanDerWaalsContact C-N 3.31Å; T921-V923 PolarHBondContact O-N 3.09Å; T921-C924 WeakPolarHBondContact O-CB 3.41Å; T921-C924 PolarHBondContact O-N 3.41Å; T921-C924 VanDerWaalsContact O-N 3.14Å; T921-L925 WeakPolarHBondContact O-CG 3.23Å; T921-L925 PolarHBondContact O-N 3.07Å; T921-Y947 HydrophobicContact CG2-CE1 4.14Å; T921-I956 HydrophobicContact CG2-CD1 4.17Å; T921-I956 HydrophobicContact CG2-CG1 4.31Å; T921-I956 HydrophobicContact CG2-CG2 3.96Å
922V97.1Very high94.4Very high38 Ų3833.1 Ų33.123%0.2317%0.172CC..Hα-helixtrans-53.3-47.8175.71640000111.6G918 V920 L925 A926 D955 I956 A959G918-V922 PolarHBondContact O-N 3.21Å; V920-V922 VanDerWaalsContact C-N 3.34Å; V920-V922 PolarHBondContact O-N 3.46Å; V922-L925 PolarHBondContact O-N 3.06Å; V922-A926 PolarHBondContact O-N 3.25Å; V922-D955 HydrophobicContact CG2-CB 4.29Å; V922-I956 HydrophobicContact CG2-CG1 4.13Å; V922-A959 HydrophobicContact CB-CB 4.23Å; V922-A959 HydrophobicContact CG1-CB 3.79Å; V922-A959 HydrophobicContact CG2-CB 4.1Å
923V97.1Very high94.4Very high21 Ų2132.2 Ų32.213%0.12716%0.162CC..Hα-helixtrans-72.8-33.3-179.2-177.40000111.7A867 V870 K871 T919 V920 T921 A926 A927A867-V923 HydrophobicContact CB-CG2 4.02Å; V870-V923 HydrophobicContact CB-CG1 3.87Å; V870-V923 HydrophobicContact CG1-CB 4.43Å; V870-V923 HydrophobicContact CG1-CG1 3.79Å; K871-V923 HydrophobicContact CB-CG1 3.78Å; T919-V923 PolarHBondContact O-N 3.28Å; V920-V923 PolarHBondContact O-N 2.87Å; T921-V923 VanDerWaalsContact C-N 3.31Å; T921-V923 PolarHBondContact O-N 3.09Å; V923-A926 PolarHBondContact O-N 3.42Å; V923-A927 WeakPolarHBondContact O-CB 3.46Å; V923-A927 PolarHBondContact O-N 3.41Å
924C97.6Very high94.5Very high0 Ų028.3 Ų28.30%014%0.138CC..Hα-helixtrans-60.5-43.6173.3-700000111.7V903 L907 V920 T921 A926 A927 I928V903-C924 HydrophobicContact CG1-CB 3.89Å; L907-C924 HydrophobicContact CD1-CB 4.21Å; L907-C924 HydrophobicContact CD2-CB 3.62Å; L907-C924 HydrophobicContact CG-CB 3.8Å; V920-C924 PolarHBondContact O-N 3.41Å; V920-C924 PolarHBondContact O-SG 3.1Å; T921-C924 WeakPolarHBondContact O-CB 3.41Å; T921-C924 PolarHBondContact O-N 3.41Å; T921-C924 VanDerWaalsContact O-N 3.14Å; C924-A926 PolarHBondContact O-N 2.97Å; C924-A927 WeakPolarHBondContact O-CB 3.47Å; C924-A927 PolarHBondContact O-N 3.3Å; C924-A927 VanDerWaalsContact O-N 3.12Å; C924-I928 WeakPolarHBondContact O-CG1 3.35Å; C924-I928 PolarHBondContact O-N 3.46Å
925L97.4Very high94.3Very high0 Ų025.2 Ų25.20%013%0.133CC..Hα-helixtrans-61.2-43.8174.9-66.2179.4000111.9T921 V922 A927 I928 R929 F944 Y947 I956 A959 A960T921-L925 WeakPolarHBondContact O-CG 3.23Å; T921-L925 PolarHBondContact O-N 3.07Å; V922-L925 PolarHBondContact O-N 3.06Å; L925-A927 VanDerWaalsContact C-N 3.27Å; L925-A927 PolarHBondContact O-N 3.16Å; L925-I928 PolarHBondContact O-N 3.37Å; L925-R929 PolarHBondContact O-N 3.49Å; L925-F944 HydrophobicContact CD2-CD1 4.36Å; L925-F944 HydrophobicContact CD2-CE1 4.43Å; L925-Y947 HydrophobicContact CD1-CD1 4.34Å; L925-Y947 HydrophobicContact CD1-CG 4.09Å; L925-Y947 HydrophobicContact CD2-CD2 3.71Å; L925-Y947 HydrophobicContact CD2-CE2 3.96Å; L925-Y947 HydrophobicContact CD2-CG 4.03Å; L925-I956 HydrophobicContact CD1-CG2 3.94Å; L925-A959 HydrophobicContact CD1-CB 4.48Å; L925-A960 HydrophobicContact CD1-CB 4.14Å
926A96.8Very high94Very high37 Ų3725.2 Ų25.231%0.30613%0.132SC..Hα-helixtrans-62.5-34.9174.700000112.3K874 V922 V923 C924 R930K874-A926 HydrophobicContact CD-CB 4.39Å; V922-A926 PolarHBondContact O-N 3.25Å; V923-A926 PolarHBondContact O-N 3.42Å; C924-A926 PolarHBondContact O-N 2.97Å; A926-R930 WeakPolarHBondContact O-CB 3.49Å; A926-R930 PolarHBondContact O-N 3.32Å
927A96.5Very high93.7Very high1 Ų125.3 Ų25.31%0.00814%0.135CC..Hα-helixtrans-68.2-42.7175.700000112.3K874 V903 V923 C924 L925 R930 L931K874-A927 HydrophobicContact CB-CB 3.98Å; K874-A927 HydrophobicContact CD-CB 4.19Å; K874-A927 HydrophobicContact CG-CB 4.06Å; V903-A927 HydrophobicContact CG2-CB 3.94Å; V923-A927 WeakPolarHBondContact O-CB 3.46Å; V923-A927 PolarHBondContact O-N 3.41Å; C924-A927 WeakPolarHBondContact O-CB 3.47Å; C924-A927 PolarHBondContact O-N 3.3Å; C924-A927 VanDerWaalsContact O-N 3.12Å; L925-A927 VanDerWaalsContact C-N 3.27Å; L925-A927 PolarHBondContact O-N 3.16Å; A927-R930 WeakPolarHBondContact O-CB 3.4Å; A927-R930 PolarHBondContact O-N 3.5Å; A927-L931 WeakPolarHBondContact O-CG 3.44Å; A927-L931 PolarHBondContact O-N 3.04Å
928I96.4Very high93.6Very high18 Ų1828.7 Ų28.79%0.09216%0.16CC..Hα-helixtrans-60.6-46.9174.5-67.6165.7000110.5V903 L907 C924 L925 R930 L931 Q932 L937 L943 F944V903-I928 HydrophobicContact CG1-CD1 4.22Å; V903-I928 HydrophobicContact CG1-CG1 4.01Å; L907-I928 HydrophobicContact CD1-CD1 3.69Å; C924-I928 WeakPolarHBondContact O-CG1 3.35Å; C924-I928 PolarHBondContact O-N 3.46Å; L925-I928 PolarHBondContact O-N 3.37Å; I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 3.44Å; I928-L931 WeakPolarHBondContact O-CB 3.13Å; I928-L931 PolarHBondContact O-N 2.65Å; I928-L931 VanDerWaalsContact O-N 3.16Å; I928-Q932 WeakPolarHBondContact O-CG 3.38Å; I928-Q932 PolarHBondContact O-N 3.36Å; I928-L937 HydrophobicContact CG2-CD1 4.24Å; I928-L943 HydrophobicContact CD1-CD2 3.8Å; I928-L943 HydrophobicContact CG2-CD2 4.28Å; I928-F944 HydrophobicContact CB-CE1 4.5Å; I928-F944 HydrophobicContact CB-CZ 4.48Å; I928-F944 HydrophobicContact CG2-CE1 4.27Å; I928-F944 HydrophobicContact CG2-CZ 3.97Å
929R95.3Very high93.4Very high10 Ų1032.4 Ų32.44%0.03818%0.179CC..Hα-helixtrans-61.8-38.8177.6-179.460.2-161.4138.9-2.2111.8L925 Q932 R933 F944 A963 D966L925-R929 PolarHBondContact O-N 3.49Å; R929-Q932 PolarHBondContact O-N 3.2Å; R929-R933 VanDerWaalsContact CZ-CG 3.49Å; R929-R933 WeakPolarHBondContact O-CG 3.36Å; R929-R933 PolarHBondContact O-N 3.05Å; R929-F944 HydrophobicContact CB-CE1 4.42Å; R929-F944 HydrophobicContact CB-CE2 4.42Å; R929-F944 HydrophobicContact CB-CZ 3.79Å; R929-A963 HydrophobicContact CB-CB 3.99Å; R929-A963 HydrophobicContact CG-CB 4.09Å; R929-D966 IonicContact CZ-OD2 3.23Å; R929-D966 IonicContact NE-OD2 3.37Å; R929-D966 PolarHBondContact NE-OD2 3.18Å; R929-D966 PolarHBondContact NH2-O 2.92Å; R929-D966 IonicContact NH2-OD2 3.79Å; R929-D966 PolarHBondContact NH2-OD2 3.35Å
930R93.8Very high93.2Very high73 Ų7335 Ų3528%0.27519%0.192SC..Hα-helixtrans-61.2-45.2174.3-17867.9173172.41.9111.8K874 L877 A926 A927 I928 Q932 R933 L934K874-R930 HydrophobicContact CD-CB 3.98Å; K874-R930 HydrophobicContact CD-CG 4.39Å; K874-R930 HydrophobicContact CG-CB 3.72Å; K874-R930 HydrophobicContact CG-CG 3.76Å; L877-R930 PolarHBondContact O-NH2 2.94Å; A926-R930 WeakPolarHBondContact O-CB 3.49Å; A926-R930 PolarHBondContact O-N 3.32Å; A927-R930 WeakPolarHBondContact O-CB 3.4Å; A927-R930 PolarHBondContact O-N 3.5Å; I928-R930 VanDerWaalsContact C-N 3.29Å; I928-R930 PolarHBondContact O-N 3.44Å; R930-Q932 VanDerWaalsContact C-N 3.32Å; R930-Q932 PolarHBondContact O-N 3.01Å; R930-R933 PolarHBondContact O-N 2.75Å; R930-L934 HydrophobicContact CG-CD1 4.2Å; R930-L934 WeakPolarHBondContact O-CG 3.31Å; R930-L934 PolarHBondContact O-N 2.87Å; R930-L934 VanDerWaalsContact O-N 3.14Å
931L93Very high93.1Very high1 Ų135.3 Ų35.31%0.00520%0.195CC..Hα-helixtrans-60.3-41.2176.5-75160.6000111.9L877 A896 V899 I900 A927 I928 L934 G935 F936 L937L877-L931 HydrophobicContact CD1-CD2 3.45Å; L877-L931 VanDerWaalsContact CD1-CD2 3.45Å; L877-L931 HydrophobicContact CD1-CG 3.89Å; A896-L931 HydrophobicContact CB-CD2 4.44Å; V899-L931 HydrophobicContact CG1-CD1 4.25Å; I900-L931 HydrophobicContact CD1-CD2 4.39Å; I900-L931 HydrophobicContact CG1-CD1 3.69Å; I900-L931 HydrophobicContact CG1-CD2 4.12Å; A927-L931 WeakPolarHBondContact O-CG 3.44Å; A927-L931 PolarHBondContact O-N 3.04Å; I928-L931 WeakPolarHBondContact O-CB 3.13Å; I928-L931 PolarHBondContact O-N 2.65Å; I928-L931 VanDerWaalsContact O-N 3.16Å; L931-L934 CarbonylContact O-C 3.59Å; L931-L934 PolarHBondContact O-N 3.26Å; L931-G935 PolarHBondContact O-N 2.8Å; L931-F936 HydrophobicContact CB-CB 4.49Å; L931-F936 HydrophobicContact CD2-CB 3.97Å; L931-F936 HydrophobicContact CD2-CD2 3.9Å; L931-F936 HydrophobicContact CD2-CG 4.31Å; L931-F936 PolarHBondContact O-N 3.45Å; L931-L937 HydrophobicContact CB-CB 4.46Å; L931-L937 HydrophobicContact CB-CD1 3.77Å; L931-L937 HydrophobicContact CB-CG 3.99Å; L931-L937 HydrophobicContact CD1-CD1 3.94Å; L931-L937 HydrophobicContact CG-CD1 4.48Å
932Q92.3Very high93.1Very high11 Ų1137.5 Ų37.55%0.05121%0.21CC..Hα-helixtrans-64.2-45.4174.8-70.1-178.7-2100112.6I928 R929 R930 L934 G935 L937 P938 D940 F944I928-Q932 WeakPolarHBondContact O-CG 3.38Å; I928-Q932 PolarHBondContact O-N 3.36Å; R929-Q932 PolarHBondContact O-N 3.2Å; R930-Q932 VanDerWaalsContact C-N 3.32Å; R930-Q932 PolarHBondContact O-N 3.01Å; Q932-L934 PolarHBondContact O-N 2.95Å; Q932-G935 PolarHBondContact O-N 3.37Å; Q932-L937 HydrophobicContact CG-CB 4.01Å; Q932-P938 PolarHBondContact NE2-O 2.99Å; Q932-D940 PolarHBondContact NE2-O 3.36Å; Q932-F944 VanDerWaalsContact OE1-CE2 3.27Å
933R89.5Confident93Very high140 Ų14038.4 Ų38.453%0.52821%0.213SC..Hα-helixtrans-59-31.7176.8-74.8-176.777146.31.5113.1R929 R930 G935 D966R929-R933 VanDerWaalsContact CZ-CG 3.49Å; R929-R933 WeakPolarHBondContact O-CG 3.36Å; R929-R933 PolarHBondContact O-N 3.05Å; R930-R933 PolarHBondContact O-N 2.75Å; R933-G935 VanDerWaalsContact C-N 3.31Å; R933-D966 VanDerWaalsContact CD-OD2 3.24Å; R933-D966 WeakPolarHBondContact CD-OD2 3.39Å; R933-D966 IonicContact CZ-OD1 2.9Å; R933-D966 IonicContact CZ-OD2 3.39Å; R933-D966 IonicContact NE-OD2 2.73Å; R933-D966 VanDerWaalsContact NH1-CG 3.31Å; R933-D966 IonicContact NH1-OD1 3.25Å; R933-D966 PolarHBondContact NH1-OD1 2.85Å; R933-D966 IonicContact NH1-OD2 3.57Å; R933-D966 PolarHBondContact NH1-OD2 3.25Å
934L89.3Confident93Very high8 Ų837.4 Ų37.44%0.04221%0.207CC..THydrogen-bonded Turntrans-88.92.8177.9-61.9177.8000112.2L877 P879 I882 R930 L931 Q932 F936L877-L934 HydrophobicContact CB-CD1 3.6Å; P879-L934 HydrophobicContact CB-CD2 4.2Å; P879-L934 HydrophobicContact CG-CD2 3.75Å; I882-L934 HydrophobicContact CD1-CB 3.89Å; I882-L934 HydrophobicContact CD1-CD2 4.02Å; I882-L934 WeakPolarHBondContact CD1-O 3.49Å; I882-L934 HydrophobicContact CG1-CB 4.5Å; I882-L934 WeakPolarHBondContact CG1-O 3.32Å; R930-L934 HydrophobicContact CG-CD1 4.2Å; R930-L934 WeakPolarHBondContact O-CG 3.31Å; R930-L934 PolarHBondContact O-N 2.87Å; R930-L934 VanDerWaalsContact O-N 3.14Å; L931-L934 CarbonylContact O-C 3.59Å; L931-L934 PolarHBondContact O-N 3.26Å; Q932-L934 PolarHBondContact O-N 2.95Å; L934-F936 VanDerWaalsContact C-N 3.26Å; L934-F936 HydrophobicContact CB-CD2 3.56Å; L934-F936 HydrophobicContact CB-CE2 3.49Å; L934-F936 VanDerWaalsContact CB-CE2 3.49Å; L934-F936 HydrophobicContact CB-CZ 4.38Å; L934-F936 HydrophobicContact CD1-CD2 4.3Å; L934-F936 HydrophobicContact CD1-CE2 3.79Å; L934-F936 HydrophobicContact CG-CE2 4.28Å; L934-F936 PolarHBondContact O-N 2.83Å
935G86.4Confident92.9Very high46 Ų4639.3 Ų39.347%0.47422%0.215SC..THydrogen-bonded Turntrans69.916.3176.900000115.1L931 Q932 R933L931-G935 PolarHBondContact O-N 2.8Å; Q932-G935 PolarHBondContact O-N 3.37Å; R933-G935 VanDerWaalsContact C-N 3.31Å
936F86.8Confident92.8Very high15 Ų1545 Ų457%0.06624%0.242CC..SBendtrans-80.3-27174.4-61.8-55.9000112.7L877 I881 I882 L892 P893 A896 L931 L934L877-F936 HydrophobicContact CD2-CE2 4.39Å; I881-F936 HydrophobicContact CB-CZ 3.9Å; I881-F936 HydrophobicContact CG2-CE1 3.91Å; I881-F936 HydrophobicContact CG2-CZ 3.65Å; I882-F936 HydrophobicContact CG1-CE1 4.29Å; I882-F936 HydrophobicContact CG1-CZ 4.03Å; L892-F936 HydrophobicContact CD2-CB 4.18Å; L892-F936 HydrophobicContact CD2-CD1 4.34Å; L892-F936 WeakPolarHBondContact CD2-O 3.47Å; P893-F936 HydrophobicContact CG-CE1 4.02Å; A896-F936 HydrophobicContact CB-CB 4.13Å; A896-F936 HydrophobicContact CB-CD1 3.72Å; A896-F936 HydrophobicContact CB-CD2 4.1Å; A896-F936 HydrophobicContact CB-CE1 4.12Å; A896-F936 HydrophobicContact CB-CE2 4.43Å; A896-F936 HydrophobicContact CB-CG 3.72Å; A896-F936 HydrophobicContact CB-CZ 4.45Å; L931-F936 HydrophobicContact CB-CB 4.49Å; L931-F936 HydrophobicContact CD2-CB 3.97Å; L931-F936 HydrophobicContact CD2-CD2 3.9Å; L931-F936 HydrophobicContact CD2-CG 4.31Å; L931-F936 PolarHBondContact O-N 3.45Å; L934-F936 VanDerWaalsContact C-N 3.26Å; L934-F936 HydrophobicContact CB-CD2 3.56Å; L934-F936 HydrophobicContact CB-CE2 3.49Å; L934-F936 VanDerWaalsContact CB-CE2 3.49Å; L934-F936 HydrophobicContact CB-CZ 4.38Å; L934-F936 HydrophobicContact CD1-CD2 4.3Å; L934-F936 HydrophobicContact CD1-CE2 3.79Å; L934-F936 HydrophobicContact CG-CE2 4.28Å; L934-F936 PolarHBondContact O-N 2.83Å
937L88.4Confident92.7Very high47 Ų4745.3 Ų45.325%0.24624%0.235CC..SBendtrans-117.6151.1173.2-71.1178.8000109.5I900 I928 L931 Q932 I939I900-L937 HydrophobicContact CD1-CD2 3.84Å; I900-L937 HydrophobicContact CD1-CG 4.25Å; I900-L937 HydrophobicContact CG1-CD2 4.37Å; I928-L937 HydrophobicContact CG2-CD1 4.24Å; L931-L937 HydrophobicContact CB-CB 4.46Å; L931-L937 HydrophobicContact CB-CD1 3.77Å; L931-L937 HydrophobicContact CB-CG 3.99Å; L931-L937 HydrophobicContact CD1-CD1 3.94Å; L931-L937 HydrophobicContact CG-CD1 4.48Å; Q932-L937 HydrophobicContact CG-CB 4.01Å; L937-I939 PolarHBondContact O-N 3.37Å
938P88.2Confident92.6Very high105 Ų10545.2 Ų45.268%0.68223%0.234SC*.  trans-57.4141172.125.7-33.8000110.3Q932 D940Q932-P938 PolarHBondContact NE2-O 2.99Å; P938-D940 PolarHBondContact O-N 3.15Å; P938-D940 VanDerWaalsContact O-N 3.09Å
939I89.9Confident92.1Very high79 Ų7948 Ų4841%0.40525%0.249SC..  trans-78.294.5179.5-64.7170.3000107.4L937 Y967 E971L937-I939 PolarHBondContact O-N 3.37Å; I939-Y967 HydrophobicContact CG2-CD2 4.08Å; I939-Y967 HydrophobicContact CG2-CE2 3.44Å; I939-Y967 VanDerWaalsContact CG2-CE2 3.44Å; I939-E971 HydrophobicContact CG2-CG 3.71Å
940D92.1Very high91.3Very high73 Ų7350.3 Ų50.339%0.3927%0.267SS..  trans-139121179.217524.8000110.1Q932 P938 S942Q932-D940 PolarHBondContact NE2-O 3.36Å; P938-D940 PolarHBondContact O-N 3.15Å; P938-D940 VanDerWaalsContact O-N 3.09Å; D940-S942 VanDerWaalsContact C-N 3.34Å; D940-S942 VanDerWaalsContact OD1-CB 3.27Å; D940-S942 WeakPolarHBondContact OD1-CB 3.47Å; D940-S942 PolarHBondContact OD1-N 3.42Å; D940-S942 PolarHBondContact OD1-OG 3.17Å; D940-S942 WeakPolarHBondContact OD2-CB 3.4Å; D940-S942 PolarHBondContact OD2-OG 2.99Å
941P95.2Very high90.8Very high11 Ų1153.8 Ų53.87%0.07129%0.291CS..  trans-84-5179.334.5-35.8000113.9L943 F944 Y945 Y967P941-L943 VanDerWaalsContact C-N 3.27Å; P941-L943 PolarHBondContact O-N 3.3Å; P941-L943 VanDerWaalsContact O-N 3.16Å; P941-F944 PolarHBondContact O-N 3.46Å; P941-Y945 HydrophobicContact CB-CE1 4Å; P941-Y945 HydrophobicContact CB-CE2 4.02Å; P941-Y945 HydrophobicContact CG-CE1 4.46Å; P941-Y945 HydrophobicContact CG-CE2 3.72Å; P941-Y945 WeakPolarHBondContact CG-OH 3.38Å; P941-Y945 PolarHBondContact O-N 3.15Å; P941-Y945 VanDerWaalsContact O-N 3.1Å; P941-Y967 HydrophobicContact CB-CD1 4.12Å; P941-Y967 HydrophobicContact CB-CD2 4.23Å; P941-Y967 HydrophobicContact CB-CE1 4.12Å; P941-Y967 HydrophobicContact CB-CE2 4.17Å; P941-Y967 HydrophobicContact CB-CG 4.21Å; P941-Y967 HydrophobicContact CG-CD1 4.38Å; P941-Y967 HydrophobicContact CG-CE1 3.87Å; P941-Y967 HydrophobicContact CG-CE2 4.08Å
942S95.9Very high90.6Very high53 Ų5357.4 Ų57.437%0.37131%0.307SS..Hα-helixtrans-54.9-38.6-171.6-59.30000113.8D940 Y945 Q946D940-S942 VanDerWaalsContact C-N 3.34Å; D940-S942 VanDerWaalsContact OD1-CB 3.27Å; D940-S942 WeakPolarHBondContact OD1-CB 3.47Å; D940-S942 PolarHBondContact OD1-N 3.42Å; D940-S942 PolarHBondContact OD1-OG 3.17Å; D940-S942 WeakPolarHBondContact OD2-CB 3.4Å; D940-S942 PolarHBondContact OD2-OG 2.99Å; S942-Y945 PolarHBondContact O-N 3.11Å; S942-Q946 WeakPolarHBondContact O-CG 3.31Å; S942-Q946 PolarHBondContact O-N 2.69Å
943L95.1Very high90.4Very high57 Ų5760 Ų6030%0.29832%0.317SS..Hα-helixtrans-61.4-46.3176-174.169.3000111.5I928 P941 Y945 Q946 Y947I928-L943 HydrophobicContact CD1-CD2 3.8Å; I928-L943 HydrophobicContact CG2-CD2 4.28Å; P941-L943 VanDerWaalsContact C-N 3.27Å; P941-L943 PolarHBondContact O-N 3.3Å; P941-L943 VanDerWaalsContact O-N 3.16Å; L943-Y945 VanDerWaalsContact C-N 3.28Å; L943-Y945 PolarHBondContact O-N 2.99Å; L943-Q946 WeakPolarHBondContact O-CB 3.1Å; L943-Q946 PolarHBondContact O-N 2.87Å; L943-Q946 VanDerWaalsContact O-N 3.12Å; L943-Y947 HydrophobicContact CD1-CD2 4.11Å; L943-Y947 HydrophobicContact CD1-CE2 3.68Å; L943-Y947 HydrophobicContact CG-CD2 4.02Å; L943-Y947 HydrophobicContact CG-CE2 3.96Å; L943-Y947 WeakPolarHBondContact O-CD2 3.19Å; L943-Y947 PolarHBondContact O-N 3.2Å; L943-Y947 VanDerWaalsContact O-N 3.16Å
944F97Very high90.4Very high0 Ų054.1 Ų54.10%030%0.296CS..Hα-helixtrans-67.7-32.1-179.1-52.1-55.3000111.7L925 I928 R929 Q932 P941 Q946 Y947 A948 A960 A963 V964L925-F944 HydrophobicContact CD2-CD1 4.36Å; L925-F944 HydrophobicContact CD2-CE1 4.43Å; I928-F944 HydrophobicContact CB-CE1 4.5Å; I928-F944 HydrophobicContact CB-CZ 4.48Å; I928-F944 HydrophobicContact CG2-CE1 4.27Å; I928-F944 HydrophobicContact CG2-CZ 3.97Å; R929-F944 HydrophobicContact CB-CE1 4.42Å; R929-F944 HydrophobicContact CB-CE2 4.42Å; R929-F944 HydrophobicContact CB-CZ 3.79Å; Q932-F944 VanDerWaalsContact OE1-CE2 3.27Å; P941-F944 PolarHBondContact O-N 3.46Å; F944-Q946 VanDerWaalsContact C-N 3.3Å; F944-Q946 PolarHBondContact O-N 3.34Å; F944-Y947 PolarHBondContact O-N 2.87Å; F944-A948 VanDerWaalsContact O-CB 3.3Å; F944-A948 WeakPolarHBondContact O-CB 3.32Å; F944-A948 PolarHBondContact O-N 2.91Å; F944-A960 HydrophobicContact CB-CB 4.46Å; F944-A963 HydrophobicContact CD1-CB 3.67Å; F944-A963 HydrophobicContact CD2-CB 4.01Å; F944-A963 HydrophobicContact CE1-CB 3.73Å; F944-A963 HydrophobicContact CE2-CB 4.07Å; F944-A963 HydrophobicContact CG-CB 3.83Å; F944-A963 HydrophobicContact CZ-CB 3.94Å; F944-V964 HydrophobicContact CB-CG2 3.62Å
945Y95.9Very high90.5Very high41 Ų4156.2 Ų56.216%0.16131%0.308CS..Hα-helixtrans-60.2-42.2171.5-59.8-26.3000111.6P941 S942 L943 A948 L949 V964 A976 W979P941-Y945 HydrophobicContact CB-CE1 4Å; P941-Y945 HydrophobicContact CB-CE2 4.02Å; P941-Y945 HydrophobicContact CG-CE1 4.46Å; P941-Y945 HydrophobicContact CG-CE2 3.72Å; P941-Y945 WeakPolarHBondContact CG-OH 3.38Å; P941-Y945 PolarHBondContact O-N 3.15Å; P941-Y945 VanDerWaalsContact O-N 3.1Å; S942-Y945 PolarHBondContact O-N 3.11Å; L943-Y945 VanDerWaalsContact C-N 3.28Å; L943-Y945 PolarHBondContact O-N 2.99Å; Y945-A948 PolarHBondContact O-N 3.3Å; Y945-L949 WeakPolarHBondContact O-CG 3.48Å; Y945-V964 HydrophobicContact CD1-CG2 3.91Å; Y945-V964 HydrophobicContact CE1-CG1 4.04Å; Y945-V964 HydrophobicContact CE1-CG2 3.86Å; Y945-A976 WeakPolarHBondContact OH-CA 3.24Å; Y945-A976 WeakPolarHBondContact OH-CB 3.46Å; Y945-W979 AromaticContact CD1-CD2 3.57Å; Y945-W979 HydrophobicContact CD1-CD2 3.57Å; Y945-W979 AromaticContact CD1-CE2 3.67Å; Y945-W979 AromaticContact CD1-CE3 3.47Å; Y945-W979 HydrophobicContact CD1-CE3 3.47Å; Y945-W979 VanDerWaalsContact CD1-CE3 3.47Å; Y945-W979 HydrophobicContact CD1-CG 4.37Å; Y945-W979 AromaticContact CD1-CH2 3.69Å; Y945-W979 HydrophobicContact CD1-CH2 3.69Å; Y945-W979 AromaticContact CD1-CZ2 3.75Å; Y945-W979 HydrophobicContact CD1-CZ2 3.75Å; Y945-W979 AromaticContact CD1-CZ3 3.54Å; Y945-W979 HydrophobicContact CD1-CZ3 3.54Å; Y945-W979 AromaticContact CE1-CD2 3.64Å; Y945-W979 HydrophobicContact CE1-CD2 3.64Å; Y945-W979 AromaticContact CE1-CE3 3.47Å; Y945-W979 HydrophobicContact CE1-CE3 3.47Å; Y945-W979 VanDerWaalsContact CE1-CE3 3.47Å; Y945-W979 HydrophobicContact CE1-CG 4.14Å; Y945-W979 AromaticContact CE1-CZ3 3.96Å; Y945-W979 HydrophobicContact CE1-CZ3 3.96Å; Y945-W979 HydrophobicContact CG-CD2 4.1Å; Y945-W979 AromaticContact CG-CE2 3.8Å; Y945-W979 HydrophobicContact CG-CE3 4.41Å; Y945-W979 HydrophobicContact CG-CH2 4.27Å; Y945-W979 AromaticContact CG-CZ2 3.9Å; Y945-W979 HydrophobicContact CG-CZ2 3.9Å; Y945-W979 HydrophobicContact CG-CZ3 4.5Å
946Q94.6Very high90.9Very high120 Ų12054.1 Ų54.156%0.56129%0.286SS*.Hα-helixtrans-63.4-46.3178-65.5172.88.500111.7S942 L943 F944 A948 L949 F952S942-Q946 WeakPolarHBondContact O-CG 3.31Å; S942-Q946 PolarHBondContact O-N 2.69Å; L943-Q946 WeakPolarHBondContact O-CB 3.1Å; L943-Q946 PolarHBondContact O-N 2.87Å; L943-Q946 VanDerWaalsContact O-N 3.12Å; F944-Q946 VanDerWaalsContact C-N 3.3Å; F944-Q946 PolarHBondContact O-N 3.34Å; Q946-A948 VanDerWaalsContact C-N 3.26Å; Q946-A948 PolarHBondContact O-N 3.47Å; Q946-L949 PolarHBondContact O-N 2.97Å; Q946-F952 WeakPolarHBondContact O-CE2 3.18Å
947Y95.2Very high91.3Very high42 Ų4253.6 Ų53.617%0.16528%0.283CS..Hα-helixtrans-70.5-17.8179.4-79.5-79.5000114.4T921 L925 L943 F944 F952 I956 R957T921-Y947 HydrophobicContact CG2-CE1 4.14Å; L925-Y947 HydrophobicContact CD1-CD1 4.34Å; L925-Y947 HydrophobicContact CD1-CG 4.09Å; L925-Y947 HydrophobicContact CD2-CD2 3.71Å; L925-Y947 HydrophobicContact CD2-CE2 3.96Å; L925-Y947 HydrophobicContact CD2-CG 4.03Å; L943-Y947 HydrophobicContact CD1-CD2 4.11Å; L943-Y947 HydrophobicContact CD1-CE2 3.68Å; L943-Y947 HydrophobicContact CG-CD2 4.02Å; L943-Y947 HydrophobicContact CG-CE2 3.96Å; L943-Y947 WeakPolarHBondContact O-CD2 3.19Å; L943-Y947 PolarHBondContact O-N 3.2Å; L943-Y947 VanDerWaalsContact O-N 3.16Å; F944-Y947 PolarHBondContact O-N 2.87Å; Y947-F952 AromaticContact CD1-CD1 3.85Å; Y947-F952 HydrophobicContact CD1-CD1 3.85Å; Y947-F952 HydrophobicContact CD1-CD2 4.11Å; Y947-F952 AromaticContact CD1-CE1 3.62Å; Y947-F952 HydrophobicContact CD1-CE1 3.62Å; Y947-F952 AromaticContact CD1-CE2 3.89Å; Y947-F952 HydrophobicContact CD1-CE2 3.89Å; Y947-F952 HydrophobicContact CD1-CG 4.08Å; Y947-F952 AromaticContact CD1-CZ 3.63Å; Y947-F952 HydrophobicContact CD1-CZ 3.63Å; Y947-F952 HydrophobicContact CE1-CD1 4.09Å; Y947-F952 AromaticContact CE1-CE1 3.51Å; Y947-F952 HydrophobicContact CE1-CE1 3.51Å; Y947-F952 HydrophobicContact CE1-CE2 4.41Å; Y947-F952 AromaticContact CE1-CZ 3.69Å; Y947-F952 HydrophobicContact CE1-CZ 3.69Å; Y947-F952 HydrophobicContact CG-CE2 4.34Å; Y947-F952 HydrophobicContact CG-CZ 4.38Å; Y947-I956 HydrophobicContact CD1-CG2 3.71Å; Y947-I956 HydrophobicContact CE1-CG2 4.47Å; Y947-I956 HydrophobicContact CG-CG2 4.48Å; Y947-R957 WeakPolarHBondContact O-CG 3.32Å
948A93.6Very high91.5Very high0 Ų052.7 Ų52.70%028%0.279CS..THydrogen-bonded Turntrans-82.9-10.7176.200000113.8F944 Y945 Q946 R957 A960 I961 W979F944-A948 VanDerWaalsContact O-CB 3.3Å; F944-A948 WeakPolarHBondContact O-CB 3.32Å; F944-A948 PolarHBondContact O-N 2.91Å; Y945-A948 PolarHBondContact O-N 3.3Å; Q946-A948 VanDerWaalsContact C-N 3.26Å; Q946-A948 PolarHBondContact O-N 3.47Å; A948-R957 PolarHBondContact O-NE 3.24Å; A948-R957 PolarHBondContact O-NH2 3.36Å; A948-A960 HydrophobicContact CB-CB 4.14Å; A948-I961 HydrophobicContact CB-CG1 4.07Å; A948-W979 HydrophobicContact CB-CH2 3.85Å
949L87.3Confident91.9Very high75 Ų7548.1 Ų48.139%0.39325%0.251SS..SBendtrans-80.9172.7-179.4-64.4173.3000113.1Y945 Q946 N951 R957Y945-L949 WeakPolarHBondContact O-CG 3.48Å; Q946-L949 PolarHBondContact O-N 2.97Å; L949-N951 PolarHBondContact O-N 3.24Å; L949-R957 VanDerWaalsContact O-CD 3.3Å; L949-R957 WeakPolarHBondContact O-CD 3.48Å; L949-R957 PolarHBondContact O-NE 3.18Å; L949-R957 VanDerWaalsContact O-NE 3.12Å
950S78.6Confident92.3Very high60 Ų6044.4 Ų44.442%0.4223%0.232SC..THydrogen-bonded Turntrans-66.61-164.649.80000117.5D992S950-D992 WeakPolarHBondContact CB-OD2 3.44Å
951N82.5Confident92.5Very high145 Ų14540.9 Ų40.978%0.77521%0.213SC*.THydrogen-bonded Turntrans-96.3-5.5-175.9-63.9-6.9000113.8L949L949-N951 PolarHBondContact O-N 3.24Å
952F88.8Confident92.7Very high77 Ų7745 Ų4534%0.33823%0.231SC..SBendtrans-111.8152.1-176.1-64.1-77.8000111.5Q946 Y947 I956 R957Q946-F952 WeakPolarHBondContact O-CE2 3.18Å; Y947-F952 AromaticContact CD1-CD1 3.85Å; Y947-F952 HydrophobicContact CD1-CD1 3.85Å; Y947-F952 HydrophobicContact CD1-CD2 4.11Å; Y947-F952 AromaticContact CD1-CE1 3.62Å; Y947-F952 HydrophobicContact CD1-CE1 3.62Å; Y947-F952 AromaticContact CD1-CE2 3.89Å; Y947-F952 HydrophobicContact CD1-CE2 3.89Å; Y947-F952 HydrophobicContact CD1-CG 4.08Å; Y947-F952 AromaticContact CD1-CZ 3.63Å; Y947-F952 HydrophobicContact CD1-CZ 3.63Å; Y947-F952 HydrophobicContact CE1-CD1 4.09Å; Y947-F952 AromaticContact CE1-CE1 3.51Å; Y947-F952 HydrophobicContact CE1-CE1 3.51Å; Y947-F952 HydrophobicContact CE1-CE2 4.41Å; Y947-F952 AromaticContact CE1-CZ 3.69Å; Y947-F952 HydrophobicContact CE1-CZ 3.69Å; Y947-F952 HydrophobicContact CG-CE2 4.34Å; Y947-F952 HydrophobicContact CG-CZ 4.38Å; F952-I956 HydrophobicContact CB-CB 4.23Å; F952-I956 HydrophobicContact CB-CG2 4.13Å; F952-I956 HydrophobicContact CD1-CG2 4.4Å; F952-I956 HydrophobicContact CG-CG2 4.37Å; F952-R957 HydrophobicContact CB-CG 3.91Å; F952-R957 WeakPolarHBondContact O-CD 3.44Å
953Y88.6Confident92.7Very high67 Ų6742.8 Ų42.826%0.26322%0.216SC..  trans-57.8148.1173.1-179.8-113.2000111.5D357 K917 D955 I956 R957D357-Y953 VanDerWaalsContact CG-OH 3.23Å; D357-Y953 PolarHBondContact OD1-OH 2.89Å; K917-Y953 HydrophobicContact CB-CD1 4.11Å; K917-Y953 HydrophobicContact CB-CE1 3.62Å; K917-Y953 HydrophobicContact CD-CE1 4.12Å; K917-Y953 WeakPolarHBondContact CE-OH 3.49Å; K917-Y953 HydrophobicContact CG-CE1 3.77Å; K917-Y953 WeakPolarHBondContact O-CD1 3.39Å; Y953-D955 VanDerWaalsContact C-N 3.28Å; Y953-D955 HydrophobicContact CD1-CB 3.85Å; Y953-D955 HydrophobicContact CE1-CB 3.73Å; Y953-D955 PolarHBondContact O-N 3.25Å; Y953-D955 VanDerWaalsContact O-N 3.17Å; Y953-I956 WeakPolarHBondContact O-CB 3.27Å; Y953-I956 PolarHBondContact O-N 2.99Å; Y953-R957 PolarHBondContact O-N 2.82Å; Y953-R957 VanDerWaalsContact O-N 3.13Å
954C89Confident92.8Very high15 Ų1540 Ų4010%0.10120%0.202CC..Hα-helixtrans-54.5-40.8-170.5-170.80000113.1I956 R957 V958C954-I956 VanDerWaalsContact C-N 3.34Å; C954-I956 PolarHBondContact O-N 3.47Å; C954-R957 PolarHBondContact O-N 3.33Å; C954-V958 VanDerWaalsContact O-CG2 3.32Å; C954-V958 WeakPolarHBondContact O-CG2 3.43Å; C954-V958 PolarHBondContact O-N 2.98Å
955D91Very high92.9Very high52 Ų5240.1 Ų40.128%0.27820%0.202SC..Hα-helixtrans-66.2-36-179-70.4-6.7000112.3V922 Y953 V958 A959 R997V922-D955 HydrophobicContact CG2-CB 4.29Å; Y953-D955 VanDerWaalsContact C-N 3.28Å; Y953-D955 HydrophobicContact CD1-CB 3.85Å; Y953-D955 HydrophobicContact CE1-CB 3.73Å; Y953-D955 PolarHBondContact O-N 3.25Å; Y953-D955 VanDerWaalsContact O-N 3.17Å; D955-V958 PolarHBondContact O-N 2.91Å; D955-A959 WeakPolarHBondContact O-CB 3.45Å; D955-A959 PolarHBondContact O-N 2.98Å; D955-R997 IonicContact OD1-NH2 3.22Å
956I94.8Very high92.9Very high3 Ų339 Ų392%0.01520%0.199CC..Hα-helixtrans-65.3-43.7174.3-58.7172.9000109.8I914 T921 V922 L925 Y947 F952 Y953 C954 A959 A960I914-I956 HydrophobicContact CD1-CD1 4.21Å; T921-I956 HydrophobicContact CG2-CD1 4.17Å; T921-I956 HydrophobicContact CG2-CG1 4.31Å; T921-I956 HydrophobicContact CG2-CG2 3.96Å; V922-I956 HydrophobicContact CG2-CG1 4.13Å; L925-I956 HydrophobicContact CD1-CG2 3.94Å; Y947-I956 HydrophobicContact CD1-CG2 3.71Å; Y947-I956 HydrophobicContact CE1-CG2 4.47Å; Y947-I956 HydrophobicContact CG-CG2 4.48Å; F952-I956 HydrophobicContact CB-CB 4.23Å; F952-I956 HydrophobicContact CB-CG2 4.13Å; F952-I956 HydrophobicContact CD1-CG2 4.4Å; F952-I956 HydrophobicContact CG-CG2 4.37Å; Y953-I956 WeakPolarHBondContact O-CB 3.27Å; Y953-I956 PolarHBondContact O-N 2.99Å; C954-I956 VanDerWaalsContact C-N 3.34Å; C954-I956 PolarHBondContact O-N 3.47Å; I956-A959 PolarHBondContact O-N 2.86Å; I956-A960 WeakPolarHBondContact O-CB 3.33Å; I956-A960 PolarHBondContact O-N 3.36Å
957R94.8Very high93Very high3 Ų334.1 Ų34.11%0.01118%0.175CC..Hα-helixtrans-63.3-44.6178-64178.769177.55.9111.5Y947 A948 L949 F952 Y953 C954 A959 A960 I961 D992 S994 L998Y947-R957 WeakPolarHBondContact O-CG 3.32Å; A948-R957 PolarHBondContact O-NE 3.24Å; A948-R957 PolarHBondContact O-NH2 3.36Å; L949-R957 VanDerWaalsContact O-CD 3.3Å; L949-R957 WeakPolarHBondContact O-CD 3.48Å; L949-R957 PolarHBondContact O-NE 3.18Å; L949-R957 VanDerWaalsContact O-NE 3.12Å; F952-R957 HydrophobicContact CB-CG 3.91Å; F952-R957 WeakPolarHBondContact O-CD 3.44Å; Y953-R957 PolarHBondContact O-N 2.82Å; Y953-R957 VanDerWaalsContact O-N 3.13Å; C954-R957 PolarHBondContact O-N 3.33Å; R957-A959 VanDerWaalsContact C-N 3.34Å; R957-A959 PolarHBondContact O-N 2.95Å; R957-A960 PolarHBondContact O-N 3.18Å; R957-I961 VanDerWaalsContact O-CG1 3.26Å; R957-I961 WeakPolarHBondContact O-CG1 3.38Å; R957-I961 PolarHBondContact O-N 3.18Å; R957-D992 IonicContact CZ-OD2 3.09Å; R957-D992 IonicContact NH1-OD1 2.74Å; R957-D992 IonicContact NH1-OD2 2.81Å; R957-D992 PolarHBondContact NH1-OD2 3.41Å; R957-D992 IonicContact NH2-OD2 3.78Å; R957-D992 PolarHBondContact NH2-OD2 2.88Å; R957-D992 VanDerWaalsContact NH2-OD2 3.12Å; R957-S994 PolarHBondContact NH1-OG 3.44Å; R957-L998 HydrophobicContact CB-CD2 3.81Å; R957-L998 VanDerWaalsContact NE-CD1 3.32Å; R957-L998 VanDerWaalsContact NH1-CD1 3.32Å
958V94.4Very high93Very high28 Ų2832.1 Ų32.117%0.1717%0.167CC..Hα-helixtrans-61.7-42.7176.2172.20000110.7C954 D955 A960 I961 E962 L998 E1001 L1005C954-V958 VanDerWaalsContact O-CG2 3.32Å; C954-V958 WeakPolarHBondContact O-CG2 3.43Å; C954-V958 PolarHBondContact O-N 2.98Å; D955-V958 PolarHBondContact O-N 2.91Å; V958-A960 VanDerWaalsContact C-N 3.35Å; V958-A960 PolarHBondContact O-N 3.16Å; V958-I961 PolarHBondContact O-N 3.2Å; V958-E962 WeakPolarHBondContact O-CB 3.3Å; V958-E962 PolarHBondContact O-N 2.99Å; V958-L998 HydrophobicContact CG2-CD2 3.82Å; V958-E1001 HydrophobicContact CG2-CB 4.19Å; V958-E1001 HydrophobicContact CG2-CG 4.27Å; V958-L1005 HydrophobicContact CG1-CD1 4.28Å
959A96.6Very high93Very high10 Ų1036 Ų368%0.08318%0.182CC..Hα-helixtrans-63.5-38.817600000112.8V922 L925 D955 I956 R957 E962 A963V922-A959 HydrophobicContact CB-CB 4.23Å; V922-A959 HydrophobicContact CG1-CB 3.79Å; V922-A959 HydrophobicContact CG2-CB 4.1Å; L925-A959 HydrophobicContact CD1-CB 4.48Å; D955-A959 WeakPolarHBondContact O-CB 3.45Å; D955-A959 PolarHBondContact O-N 2.98Å; I956-A959 PolarHBondContact O-N 2.86Å; R957-A959 VanDerWaalsContact C-N 3.34Å; R957-A959 PolarHBondContact O-N 2.95Å; A959-E962 PolarHBondContact O-N 3.03Å; A959-A963 PolarHBondContact O-N 3.12Å
960A97.5Very high93.2Very high0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-65.3-42.6173.700000111.6L925 F944 A948 I956 R957 V958 E962 A963 V964L925-A960 HydrophobicContact CD1-CB 4.14Å; F944-A960 HydrophobicContact CB-CB 4.46Å; A948-A960 HydrophobicContact CB-CB 4.14Å; I956-A960 WeakPolarHBondContact O-CB 3.33Å; I956-A960 PolarHBondContact O-N 3.36Å; R957-A960 PolarHBondContact O-N 3.18Å; V958-A960 VanDerWaalsContact C-N 3.35Å; V958-A960 PolarHBondContact O-N 3.16Å; A960-E962 VanDerWaalsContact C-N 3.35Å; A960-A963 WeakPolarHBondContact O-CB 3.39Å; A960-A963 PolarHBondContact O-N 3.38Å; A960-V964 WeakPolarHBondContact O-CG2 3.46Å; A960-V964 PolarHBondContact O-N 2.72Å
961I97Very high93.9Very high0 Ų035.7 Ų35.70%019%0.185CC..Hα-helixtrans-63.7-41175-66.5161.7000110.8A948 R957 V958 A963 V964 V965 L980 I984 L998 A1002 L1005A948-I961 HydrophobicContact CB-CG1 4.07Å; R957-I961 VanDerWaalsContact O-CG1 3.26Å; R957-I961 WeakPolarHBondContact O-CG1 3.38Å; R957-I961 PolarHBondContact O-N 3.18Å; V958-I961 PolarHBondContact O-N 3.2Å; I961-A963 VanDerWaalsContact C-N 3.29Å; I961-A963 PolarHBondContact O-N 2.87Å; I961-V964 CarbonylContact O-C 3.5Å; I961-V964 WeakPolarHBondContact O-CB 3.31Å; I961-V964 PolarHBondContact O-N 2.53Å; I961-V964 VanDerWaalsContact O-N 3.11Å; I961-V965 HydrophobicContact CG2-CG2 4.24Å; I961-V965 WeakPolarHBondContact O-CG2 3.37Å; I961-V965 PolarHBondContact O-N 3.48Å; I961-L980 HydrophobicContact CG2-CD1 3.89Å; I961-I984 HydrophobicContact CD1-CG2 3.96Å; I961-L998 HydrophobicContact CD1-CD2 3.71Å; I961-A1002 HydrophobicContact CG2-CB 4.06Å; I961-L1005 HydrophobicContact CB-CD1 4.15Å; I961-L1005 HydrophobicContact CG2-CD1 3.7Å
962E97.7Very high94.4Very high97 Ų9732.2 Ų32.245%0.45316%0.161SC..Hα-helixtrans-58.1-43.9174.8-174.9-178.517700110.9V958 A959 A960 V964 V965 D966 L1005 M1009V958-E962 WeakPolarHBondContact O-CB 3.3Å; V958-E962 PolarHBondContact O-N 2.99Å; A959-E962 PolarHBondContact O-N 3.03Å; A960-E962 VanDerWaalsContact C-N 3.35Å; E962-V964 PolarHBondContact O-N 3.17Å; E962-V965 PolarHBondContact O-N 3.15Å; E962-D966 WeakPolarHBondContact O-CB 3.21Å; E962-D966 PolarHBondContact O-N 3.01Å; E962-L1005 HydrophobicContact CB-CD1 4.06Å; E962-L1005 HydrophobicContact CB-CD2 4.04Å; E962-L1005 HydrophobicContact CG-CD2 3.99Å; E962-M1009 HydrophobicContact CG-CE 3.62Å
963A97.2Very high94.6Very high6 Ų630.5 Ų30.55%0.0516%0.155CC..Hα-helixtrans-63.3-39174.500000112.7R929 F944 A959 A960 I961 Y967R929-A963 HydrophobicContact CB-CB 3.99Å; R929-A963 HydrophobicContact CG-CB 4.09Å; F944-A963 HydrophobicContact CD1-CB 3.67Å; F944-A963 HydrophobicContact CD2-CB 4.01Å; F944-A963 HydrophobicContact CE1-CB 3.73Å; F944-A963 HydrophobicContact CE2-CB 4.07Å; F944-A963 HydrophobicContact CG-CB 3.83Å; F944-A963 HydrophobicContact CZ-CB 3.94Å; A959-A963 PolarHBondContact O-N 3.12Å; A960-A963 WeakPolarHBondContact O-CB 3.39Å; A960-A963 PolarHBondContact O-N 3.38Å; I961-A963 VanDerWaalsContact C-N 3.29Å; I961-A963 PolarHBondContact O-N 2.87Å; A963-Y967 VanDerWaalsContact O-CB 3.31Å; A963-Y967 WeakPolarHBondContact O-CB 3.38Å; A963-Y967 PolarHBondContact O-N 2.7Å
964V97.7Very high94.9Very high0 Ų029.6 Ų29.60%015%0.153CC..Hα-helixtrans-65.7-42.9174.4172.50000111.4F944 Y945 A960 I961 E962 Y967 I968F944-V964 HydrophobicContact CB-CG2 3.62Å; Y945-V964 HydrophobicContact CD1-CG2 3.91Å; Y945-V964 HydrophobicContact CE1-CG1 4.04Å; Y945-V964 HydrophobicContact CE1-CG2 3.86Å; A960-V964 WeakPolarHBondContact O-CG2 3.46Å; A960-V964 PolarHBondContact O-N 2.72Å; I961-V964 CarbonylContact O-C 3.5Å; I961-V964 WeakPolarHBondContact O-CB 3.31Å; I961-V964 PolarHBondContact O-N 2.53Å; I961-V964 VanDerWaalsContact O-N 3.11Å; E962-V964 PolarHBondContact O-N 3.17Å; V964-Y967 WeakPolarHBondContact O-CB 3.36Å; V964-Y967 PolarHBondContact O-N 3.1Å; V964-I968 HydrophobicContact CG1-CD1 3.84Å; V964-I968 HydrophobicContact CG1-CG1 4.38Å; V964-I968 VanDerWaalsContact O-CG1 3.28Å; V964-I968 WeakPolarHBondContact O-CG1 3.22Å; V964-I968 PolarHBondContact O-N 2.74Å
965V97.5Very high95.2Very high1 Ų133 Ų331%0.00618%0.177CC..Hα-helixtrans-63.5-43.8177.7170.20000110.7I961 E962 Y967 I968 R969 L980 L1005 L1006 M1009I961-V965 HydrophobicContact CG2-CG2 4.24Å; I961-V965 WeakPolarHBondContact O-CG2 3.37Å; I961-V965 PolarHBondContact O-N 3.48Å; E962-V965 PolarHBondContact O-N 3.15Å; V965-Y967 VanDerWaalsContact C-N 3.31Å; V965-Y967 PolarHBondContact O-N 3.2Å; V965-I968 PolarHBondContact O-N 3.26Å; V965-R969 WeakPolarHBondContact O-CB 3.21Å; V965-R969 PolarHBondContact O-N 3.34Å; V965-L980 HydrophobicContact CG2-CD2 3.84Å; V965-L1005 HydrophobicContact CG2-CB 4.12Å; V965-L1006 HydrophobicContact CG1-CD2 4.1Å; V965-L1006 HydrophobicContact CG2-CD2 4.14Å; V965-L1006 HydrophobicContact CG2-CG 4.3Å; V965-M1009 HydrophobicContact CB-CE 4.48Å; V965-M1009 HydrophobicContact CG1-CB 3.77Å; V965-M1009 HydrophobicContact CG1-CE 4.15Å; V965-M1009 WeakPolarHBondContact CG1-O 3.29Å
966D96.7Very high95.4Very high17 Ų1730.5 Ų30.59%0.09116%0.164CC..Hα-helixtrans-65.3-34.4174.2-177.471.4000112.6R929 R933 E962 G970 M1009R929-D966 IonicContact CZ-OD2 3.23Å; R929-D966 IonicContact NE-OD2 3.37Å; R929-D966 PolarHBondContact NE-OD2 3.18Å; R929-D966 PolarHBondContact NH2-O 2.92Å; R929-D966 IonicContact NH2-OD2 3.79Å; R929-D966 PolarHBondContact NH2-OD2 3.35Å; R933-D966 VanDerWaalsContact CD-OD2 3.24Å; R933-D966 WeakPolarHBondContact CD-OD2 3.39Å; R933-D966 IonicContact CZ-OD1 2.9Å; R933-D966 IonicContact CZ-OD2 3.39Å; R933-D966 IonicContact NE-OD2 2.73Å; R933-D966 VanDerWaalsContact NH1-CG 3.31Å; R933-D966 IonicContact NH1-OD1 3.25Å; R933-D966 PolarHBondContact NH1-OD1 2.85Å; R933-D966 IonicContact NH1-OD2 3.57Å; R933-D966 PolarHBondContact NH1-OD2 3.25Å; E962-D966 WeakPolarHBondContact O-CB 3.21Å; E962-D966 PolarHBondContact O-N 3.01Å; D966-G970 PolarHBondContact O-N 3.05Å; D966-M1009 HydrophobicContact CB-CE 4.47Å; D966-M1009 HydrophobicContact CB-SD 4.29Å
967Y96.3Very high95.5Very high18 Ų1830.4 Ų30.47%0.07116%0.164CC..Hα-helixtrans-63.2-49.2171.6172.5-85.6000111.9I939 P941 A963 V964 V965 R969 G970 E971 D973 A976I939-Y967 HydrophobicContact CG2-CD2 4.08Å; I939-Y967 HydrophobicContact CG2-CE2 3.44Å; I939-Y967 VanDerWaalsContact CG2-CE2 3.44Å; P941-Y967 HydrophobicContact CB-CD1 4.12Å; P941-Y967 HydrophobicContact CB-CD2 4.23Å; P941-Y967 HydrophobicContact CB-CE1 4.12Å; P941-Y967 HydrophobicContact CB-CE2 4.17Å; P941-Y967 HydrophobicContact CB-CG 4.21Å; P941-Y967 HydrophobicContact CG-CD1 4.38Å; P941-Y967 HydrophobicContact CG-CE1 3.87Å; P941-Y967 HydrophobicContact CG-CE2 4.08Å; A963-Y967 VanDerWaalsContact O-CB 3.31Å; A963-Y967 WeakPolarHBondContact O-CB 3.38Å; A963-Y967 PolarHBondContact O-N 2.7Å; V964-Y967 WeakPolarHBondContact O-CB 3.36Å; V964-Y967 PolarHBondContact O-N 3.1Å; V965-Y967 VanDerWaalsContact C-N 3.31Å; V965-Y967 PolarHBondContact O-N 3.2Å; Y967-R969 VanDerWaalsContact C-N 3.29Å; Y967-R969 PolarHBondContact O-N 3.45Å; Y967-G970 PolarHBondContact O-N 3.21Å; Y967-E971 HydrophobicContact CD2-CG 3.9Å; Y967-E971 HydrophobicContact CE2-CB 4.44Å; Y967-E971 HydrophobicContact CE2-CG 3.73Å; Y967-E971 HydrophobicContact CG-CG 4.43Å; Y967-E971 PolarHBondContact O-N 3.46Å; Y967-D973 HydrophobicContact CD1-CB 4.48Å; Y967-D973 HydrophobicContact CE1-CB 3.63Å; Y967-D973 VanDerWaalsContact CE1-OD2 3.29Å; Y967-D973 WeakPolarHBondContact CE1-OD2 3.26Å; Y967-D973 PolarHBondContact OH-OD2 3.2Å; Y967-A976 HydrophobicContact CD1-CB 3.84Å; Y967-A976 HydrophobicContact CE1-CB 3.63Å
968I96.1Very high95.5Very high0 Ų033 Ų330%018%0.178CC..Hα-helixtrans-56.8-46.5177-70.1160.8000110.2V964 V965 R972 A976 L977 L980 P1011 L1021V964-I968 HydrophobicContact CG1-CD1 3.84Å; V964-I968 HydrophobicContact CG1-CG1 4.38Å; V964-I968 VanDerWaalsContact O-CG1 3.28Å; V964-I968 WeakPolarHBondContact O-CG1 3.22Å; V964-I968 PolarHBondContact O-N 2.74Å; V965-I968 PolarHBondContact O-N 3.26Å; I968-R972 WeakPolarHBondContact O-CA 3.3Å; I968-R972 PolarHBondContact O-N 3.42Å; I968-A976 HydrophobicContact CD1-CB 4.47Å; I968-A976 HydrophobicContact CG1-CB 3.75Å; I968-L977 HydrophobicContact CD1-CB 4.33Å; I968-L977 HydrophobicContact CD1-CD1 4.3Å; I968-L977 HydrophobicContact CG1-CB 4.46Å; I968-L977 HydrophobicContact CG2-CB 4.11Å; I968-L977 HydrophobicContact CG2-CD1 4.15Å; I968-L980 HydrophobicContact CD1-CB 4.19Å; I968-L980 HydrophobicContact CD1-CD2 3.9Å; I968-P1011 HydrophobicContact CG2-CB 4.12Å; I968-L1021 HydrophobicContact CG2-CD1 3.8Å
969R93.5Very high95.6Very high83 Ų8333.9 Ų33.931%0.31318%0.178SC..Hα-helixtrans-64.1-45178.6-174.9174.9-179.9166.62.9111.5V965 Y967 R972 P1010V965-R969 WeakPolarHBondContact O-CB 3.21Å; V965-R969 PolarHBondContact O-N 3.34Å; Y967-R969 VanDerWaalsContact C-N 3.29Å; Y967-R969 PolarHBondContact O-N 3.45Å; R969-R972 PolarHBondContact O-NH1 3.35Å; R969-P1010 WeakPolarHBondContact CD-O 3.5Å
970G91.4Very high95.6Very high47 Ų4733.4 Ų33.449%0.48517%0.174SC..Hα-helixtrans-67.2-53.4-178.400000113.7D966 Y967D966-G970 PolarHBondContact O-N 3.05Å; Y967-G970 PolarHBondContact O-N 3.21Å
971E92.3Very high95.4Very high81 Ų8133.5 Ų33.538%0.37917%0.174SC..Hα-helixtrans-90.4-11.3-170.1-55.5-49.4135.600113.8I939 Y967 D973I939-E971 HydrophobicContact CG2-CG 3.71Å; Y967-E971 HydrophobicContact CD2-CG 3.9Å; Y967-E971 HydrophobicContact CE2-CB 4.44Å; Y967-E971 HydrophobicContact CE2-CG 3.73Å; Y967-E971 HydrophobicContact CG-CG 4.43Å; Y967-E971 PolarHBondContact O-N 3.46Å; E971-D973 HydrophobicContact CB-CB 4.39Å; E971-D973 PolarHBondContact O-N 2.75Å
972R92.6Very high95.3Very high71 Ų7136.6 Ų36.627%0.26820%0.196SC..  trans55.439.7-173.7-52.6-59.4-159.4-153.917.6112.3I968 R969 P1011 E1016 L1021I968-R972 WeakPolarHBondContact O-CA 3.3Å; I968-R972 PolarHBondContact O-N 3.42Å; R969-R972 PolarHBondContact O-NH1 3.35Å; R972-P1011 PolarHBondContact NH1-O 2.89Å; R972-E1016 IonicContact CZ-OE1 3.78Å; R972-E1016 IonicContact NE-OE1 3Å; R972-E1016 IonicContact NH2-OE1 3.85Å; R972-E1016 PolarHBondContact NH2-OE1 3.22Å; R972-E1016 IonicContact NH2-OE2 3.43Å; R972-E1016 PolarHBondContact NH2-OE2 3.02Å; R972-E1016 VanDerWaalsContact NH2-OE2 3.09Å; R972-L1021 HydrophobicContact CB-CG 4.45Å
973D93.8Very high95Very high41 Ų4134.8 Ų34.822%0.21919%0.19CC..  trans-83.8114.8-177.5-172.6-17.8000111.5Y967 E971 S975 A976 L977Y967-D973 HydrophobicContact CD1-CB 4.48Å; Y967-D973 HydrophobicContact CE1-CB 3.63Å; Y967-D973 VanDerWaalsContact CE1-OD2 3.29Å; Y967-D973 WeakPolarHBondContact CE1-OD2 3.26Å; Y967-D973 PolarHBondContact OH-OD2 3.2Å; E971-D973 HydrophobicContact CB-CB 4.39Å; E971-D973 PolarHBondContact O-N 2.75Å; D973-S975 WeakPolarHBondContact OD1-CB 3.44Å; D973-S975 PolarHBondContact OD1-N 3.02Å; D973-A976 HydrophobicContact CB-CB 4.04Å; D973-A976 PolarHBondContact OD1-N 3.24Å; D973-L977 PolarHBondContact O-N 3.07Å
974Q94Very high94.7Very high48 Ų4834.7 Ų34.722%0.22419%0.188CC..Hα-helixtrans-71.8-36.8179-177.563.143.800112A976 L977 D978 L1021Q974-A976 VanDerWaalsContact C-N 3.32Å; Q974-A976 PolarHBondContact O-N 3.05Å; Q974-L977 WeakPolarHBondContact O-CB 3.33Å; Q974-L977 PolarHBondContact O-N 3.25Å; Q974-D978 PolarHBondContact NE2-OD1 2.88Å; Q974-D978 PolarHBondContact NE2-OD2 2.69Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 VanDerWaalsContact O-CG 3.24Å; Q974-D978 PolarHBondContact O-N 3.18Å; Q974-L1021 HydrophobicContact CB-CD2 4.11Å
975S95.5Very high94.3Very high87 Ų8734.7 Ų34.761%0.60819%0.188SC*.Hα-helixtrans-67-36.9-178.9-630000111.4D973 D978 W979D973-S975 WeakPolarHBondContact OD1-CB 3.44Å; D973-S975 PolarHBondContact OD1-N 3.02Å; S975-D978 PolarHBondContact O-N 3.48Å; S975-W979 WeakPolarHBondContact O-CB 3.42Å; S975-W979 PolarHBondContact O-N 2.72Å
976A96.4Very high94Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-67.7-39.5173.700000112.7Y945 Y967 I968 D973 Q974 D978 W979 L980Y945-A976 WeakPolarHBondContact OH-CA 3.24Å; Y945-A976 WeakPolarHBondContact OH-CB 3.46Å; Y967-A976 HydrophobicContact CD1-CB 3.84Å; Y967-A976 HydrophobicContact CE1-CB 3.63Å; I968-A976 HydrophobicContact CD1-CB 4.47Å; I968-A976 HydrophobicContact CG1-CB 3.75Å; D973-A976 HydrophobicContact CB-CB 4.04Å; D973-A976 PolarHBondContact OD1-N 3.24Å; Q974-A976 VanDerWaalsContact C-N 3.32Å; Q974-A976 PolarHBondContact O-N 3.05Å; A976-D978 VanDerWaalsContact C-N 3.33Å; A976-W979 PolarHBondContact O-N 3.3Å; A976-L980 PolarHBondContact O-N 3.24Å
977L96.2Very high93.4Very high1 Ų139.7 Ų39.71%0.00521%0.208CC..Hα-helixtrans-62.2-44.1173-17864.3000110.7I968 D973 Q974 W979 L980 F981 L1021 L1026I968-L977 HydrophobicContact CD1-CB 4.33Å; I968-L977 HydrophobicContact CD1-CD1 4.3Å; I968-L977 HydrophobicContact CG1-CB 4.46Å; I968-L977 HydrophobicContact CG2-CB 4.11Å; I968-L977 HydrophobicContact CG2-CD1 4.15Å; D973-L977 PolarHBondContact O-N 3.07Å; Q974-L977 WeakPolarHBondContact O-CB 3.33Å; Q974-L977 PolarHBondContact O-N 3.25Å; L977-W979 VanDerWaalsContact C-N 3.34Å; L977-W979 PolarHBondContact O-N 2.91Å; L977-L980 PolarHBondContact O-N 3.42Å; L977-F981 HydrophobicContact CD1-CD2 3.88Å; L977-F981 HydrophobicContact CD1-CE2 3.6Å; L977-F981 HydrophobicContact CG-CD2 4.27Å; L977-F981 HydrophobicContact CG-CE2 4.28Å; L977-F981 WeakPolarHBondContact O-CD2 3.43Å; L977-F981 PolarHBondContact O-N 2.95Å; L977-F981 VanDerWaalsContact O-N 3.08Å; L977-L1021 HydrophobicContact CD2-CB 4.39Å; L977-L1021 HydrophobicContact CD2-CD2 4.17Å; L977-L1026 HydrophobicContact CD2-CD1 4.34Å; L977-L1026 HydrophobicContact CD2-CD2 4.23Å
978D96.1Very high92.3Very high57 Ų5746.2 Ų46.231%0.30524%0.239SC..Hα-helixtrans-64.4-41178.1-69.4-29.3000111.8Q974 S975 A976 F981 S982 R1029Q974-D978 PolarHBondContact NE2-OD1 2.88Å; Q974-D978 PolarHBondContact NE2-OD2 2.69Å; Q974-D978 WeakPolarHBondContact O-CB 3.44Å; Q974-D978 VanDerWaalsContact O-CG 3.24Å; Q974-D978 PolarHBondContact O-N 3.18Å; S975-D978 PolarHBondContact O-N 3.48Å; A976-D978 VanDerWaalsContact C-N 3.33Å; D978-F981 PolarHBondContact O-N 2.97Å; D978-S982 VanDerWaalsContact O-CB 3.31Å; D978-S982 WeakPolarHBondContact O-CB 3.29Å; D978-S982 PolarHBondContact O-N 3.47Å; D978-S982 PolarHBondContact O-OG 3.36Å; D978-R1029 IonicContact OD1-NH1 3.06Å; D978-R1029 PolarHBondContact OD1-NH1 3.08Å
979W96Very high90.9Very high46 Ų4649.9 Ų49.917%0.17426%0.259CS..Hα-helixtrans-58.9-47.3173.7-178.593.6000111.7Y945 A948 S975 A976 L977 F981 S982 N983 I984Y945-W979 AromaticContact CD1-CD2 3.57Å; Y945-W979 HydrophobicContact CD1-CD2 3.57Å; Y945-W979 AromaticContact CD1-CE2 3.67Å; Y945-W979 AromaticContact CD1-CE3 3.47Å; Y945-W979 HydrophobicContact CD1-CE3 3.47Å; Y945-W979 VanDerWaalsContact CD1-CE3 3.47Å; Y945-W979 HydrophobicContact CD1-CG 4.37Å; Y945-W979 AromaticContact CD1-CH2 3.69Å; Y945-W979 HydrophobicContact CD1-CH2 3.69Å; Y945-W979 AromaticContact CD1-CZ2 3.75Å; Y945-W979 HydrophobicContact CD1-CZ2 3.75Å; Y945-W979 AromaticContact CD1-CZ3 3.54Å; Y945-W979 HydrophobicContact CD1-CZ3 3.54Å; Y945-W979 AromaticContact CE1-CD2 3.64Å; Y945-W979 HydrophobicContact CE1-CD2 3.64Å; Y945-W979 AromaticContact CE1-CE3 3.47Å; Y945-W979 HydrophobicContact CE1-CE3 3.47Å; Y945-W979 VanDerWaalsContact CE1-CE3 3.47Å; Y945-W979 HydrophobicContact CE1-CG 4.14Å; Y945-W979 AromaticContact CE1-CZ3 3.96Å; Y945-W979 HydrophobicContact CE1-CZ3 3.96Å; Y945-W979 HydrophobicContact CG-CD2 4.1Å; Y945-W979 AromaticContact CG-CE2 3.8Å; Y945-W979 HydrophobicContact CG-CE3 4.41Å; Y945-W979 HydrophobicContact CG-CH2 4.27Å; Y945-W979 AromaticContact CG-CZ2 3.9Å; Y945-W979 HydrophobicContact CG-CZ2 3.9Å; Y945-W979 HydrophobicContact CG-CZ3 4.5Å; A948-W979 HydrophobicContact CB-CH2 3.85Å; S975-W979 WeakPolarHBondContact O-CB 3.42Å; S975-W979 PolarHBondContact O-N 2.72Å; A976-W979 PolarHBondContact O-N 3.3Å; L977-W979 VanDerWaalsContact C-N 3.34Å; L977-W979 PolarHBondContact O-N 2.91Å; W979-F981 PolarHBondContact O-N 3.35Å; W979-S982 PolarHBondContact O-N 3.34Å; W979-N983 HydrophobicContact CD2-CB 4.41Å; W979-N983 HydrophobicContact CZ2-CB 4.21Å; W979-N983 PolarHBondContact NE1-ND2 3.43Å; W979-N983 WeakPolarHBondContact O-CB 3.5Å; W979-N983 PolarHBondContact O-N 3.34Å; W979-N983 PolarHBondContact O-ND2 2.88Å; W979-I984 HydrophobicContact CH2-CD1 4.37Å; W979-I984 HydrophobicContact CH2-CG1 4.25Å; W979-I984 HydrophobicContact CZ3-CG1 4.11Å
980L95.7Very high89.4Confident0 Ų047.1 Ų47.10%025%0.254CS..Hα-helixtrans-59.8-48-179.4178.265.3000110.7I961 V965 I968 A976 L977 I984 I985 A1002 L1006I961-L980 HydrophobicContact CG2-CD1 3.89Å; V965-L980 HydrophobicContact CG2-CD2 3.84Å; I968-L980 HydrophobicContact CD1-CB 4.19Å; I968-L980 HydrophobicContact CD1-CD2 3.9Å; A976-L980 PolarHBondContact O-N 3.24Å; L977-L980 PolarHBondContact O-N 3.42Å; L980-I984 HydrophobicContact CD1-CB 4.04Å; L980-I984 HydrophobicContact CD1-CG1 4.08Å; L980-I984 HydrophobicContact CD1-CG2 4.45Å; L980-I984 WeakPolarHBondContact O-CA 3.42Å; L980-I984 VanDerWaalsContact O-CB 3.26Å; L980-I984 WeakPolarHBondContact O-CB 3.46Å; L980-I984 PolarHBondContact O-N 2.97Å; L980-I985 HydrophobicContact CD2-CD1 4.47Å; L980-I985 HydrophobicContact CG-CD1 4.22Å; L980-I985 PolarHBondContact O-N 2.64Å; L980-A1002 HydrophobicContact CD1-CB 4.45Å; L980-L1006 HydrophobicContact CD2-CD1 4.05Å; L980-L1006 HydrophobicContact CD2-CD2 4.16Å; L980-L1006 HydrophobicContact CD2-CG 4.23Å
981F94.7Very high88.3Confident2 Ų246.8 Ų46.81%0.00924%0.244CC..Iπ-helixtrans-66.8-47.9178.7-84.9-106000111.6L977 D978 W979 N983 I985 E986 L1006 L1026 R1029 L1030 L1033L977-F981 HydrophobicContact CD1-CD2 3.88Å; L977-F981 HydrophobicContact CD1-CE2 3.6Å; L977-F981 HydrophobicContact CG-CD2 4.27Å; L977-F981 HydrophobicContact CG-CE2 4.28Å; L977-F981 WeakPolarHBondContact O-CD2 3.43Å; L977-F981 PolarHBondContact O-N 2.95Å; L977-F981 VanDerWaalsContact O-N 3.08Å; D978-F981 PolarHBondContact O-N 2.97Å; W979-F981 PolarHBondContact O-N 3.35Å; F981-N983 PolarHBondContact O-N 3.5Å; F981-I985 HydrophobicContact CD1-CB 4.26Å; F981-I985 HydrophobicContact CD1-CD1 4.16Å; F981-I985 HydrophobicContact CD1-CG2 4.28Å; F981-I985 HydrophobicContact CD2-CD1 4.01Å; F981-I985 HydrophobicContact CE1-CD1 4.23Å; F981-I985 HydrophobicContact CE2-CD1 4.07Å; F981-I985 HydrophobicContact CG-CB 4.44Å; F981-I985 HydrophobicContact CG-CD1 4.04Å; F981-I985 HydrophobicContact CZ-CD1 4.18Å; F981-I985 CarbonylContact O-C 3.51Å; F981-I985 PolarHBondContact O-N 3.15Å; F981-E986 HydrophobicContact CD1-CG 4.39Å; F981-E986 WeakPolarHBondContact O-CB 3.18Å; F981-E986 PolarHBondContact O-N 3.23Å; F981-L1006 HydrophobicContact CE2-CD1 4.08Å; F981-L1006 HydrophobicContact CZ-CD1 4.37Å; F981-L1026 HydrophobicContact CE1-CD1 4.23Å; F981-L1026 HydrophobicContact CE2-CD1 3.82Å; F981-L1026 HydrophobicContact CZ-CD1 3.57Å; F981-R1029 HydrophobicContact CD1-CB 4.43Å; F981-R1029 HydrophobicContact CE1-CB 4.48Å; F981-L1030 HydrophobicContact CE1-CD2 3.92Å; F981-L1030 HydrophobicContact CE1-CG 4.44Å; F981-L1030 HydrophobicContact CZ-CD2 3.94Å; F981-L1030 HydrophobicContact CZ-CG 4.47Å; F981-L1033 HydrophobicContact CD1-CD1 4.32Å; F981-L1033 HydrophobicContact CE1-CD1 4.1Å
982S93.4Very high87.4Confident66 Ų6644 Ų4446%0.46223%0.232SC..Iπ-helixtrans-69.3-31.9-174.6-66.20000113.9D978 W979 R1029D978-S982 VanDerWaalsContact O-CB 3.31Å; D978-S982 WeakPolarHBondContact O-CB 3.29Å; D978-S982 PolarHBondContact O-N 3.47Å; D978-S982 PolarHBondContact O-OG 3.36Å; W979-S982 PolarHBondContact O-N 3.34Å; S982-R1029 PolarHBondContact OG-NH2 2.9Å
983N91.1Very high86.3Confident59 Ų5941.2 Ų41.232%0.31622%0.224SC..Iπ-helixtrans-98-26.6-176.7-64.6-89000113.5W979 F981 R987W979-N983 HydrophobicContact CD2-CB 4.41Å; W979-N983 HydrophobicContact CZ2-CB 4.21Å; W979-N983 PolarHBondContact NE1-ND2 3.43Å; W979-N983 WeakPolarHBondContact O-CB 3.5Å; W979-N983 PolarHBondContact O-N 3.34Å; W979-N983 PolarHBondContact O-ND2 2.88Å; F981-N983 PolarHBondContact O-N 3.5Å; N983-R987 WeakPolarHBondContact O-CD 3.09Å
984I90.9Very high85.3Confident3 Ų339.9 Ų39.92%0.01522%0.218CC..Iπ-helixtrans-120.6-35.1-171.7-50.8-63.8000113.9I961 W979 L980 Y995 A1002I961-I984 HydrophobicContact CD1-CG2 3.96Å; W979-I984 HydrophobicContact CH2-CD1 4.37Å; W979-I984 HydrophobicContact CH2-CG1 4.25Å; W979-I984 HydrophobicContact CZ3-CG1 4.11Å; L980-I984 HydrophobicContact CD1-CB 4.04Å; L980-I984 HydrophobicContact CD1-CG1 4.08Å; L980-I984 HydrophobicContact CD1-CG2 4.45Å; L980-I984 WeakPolarHBondContact O-CA 3.42Å; L980-I984 VanDerWaalsContact O-CB 3.26Å; L980-I984 WeakPolarHBondContact O-CB 3.46Å; L980-I984 PolarHBondContact O-N 2.97Å; I984-Y995 VanDerWaalsContact C-CE2 3.46Å; I984-Y995 WeakPolarHBondContact O-CE2 3.27Å; I984-Y995 PolarHBondContact O-OH 3.27Å; I984-A1002 HydrophobicContact CG2-CB 3.79Å
985I91.3Very high84.6Confident1 Ų137.9 Ų37.91%0.00521%0.208CC..Iπ-helixtrans-100.4-33.8-174.3-54.3175.2000112.8L980 F981 Y995 R999 A1002 V1003 L1006 L1033L980-I985 HydrophobicContact CD2-CD1 4.47Å; L980-I985 HydrophobicContact CG-CD1 4.22Å; L980-I985 PolarHBondContact O-N 2.64Å; F981-I985 HydrophobicContact CD1-CB 4.26Å; F981-I985 HydrophobicContact CD1-CD1 4.16Å; F981-I985 HydrophobicContact CD1-CG2 4.28Å; F981-I985 HydrophobicContact CD2-CD1 4.01Å; F981-I985 HydrophobicContact CE1-CD1 4.23Å; F981-I985 HydrophobicContact CE2-CD1 4.07Å; F981-I985 HydrophobicContact CG-CB 4.44Å; F981-I985 HydrophobicContact CG-CD1 4.04Å; F981-I985 HydrophobicContact CZ-CD1 4.18Å; F981-I985 CarbonylContact O-C 3.51Å; F981-I985 PolarHBondContact O-N 3.15Å; I985-Y995 PolarHBondContact N-OH 2.78Å; I985-Y995 PolarHBondContact O-OH 2.92Å; I985-R999 WeakPolarHBondContact O-CD 3.44Å; I985-R999 PolarHBondContact O-NE 3.33Å; I985-R999 PolarHBondContact O-NH2 3.18Å; I985-A1002 HydrophobicContact CD1-CB 4.47Å; I985-A1002 HydrophobicContact CG1-CB 4.12Å; I985-V1003 HydrophobicContact CD1-CG2 4.36Å; I985-V1003 HydrophobicContact CG2-CG2 4.1Å; I985-L1006 HydrophobicContact CD1-CD1 3.69Å; I985-L1033 HydrophobicContact CG2-CD1 3.81Å
986E90.2Very high83.8Confident57 Ų5735.3 Ų35.327%0.26619%0.186SC..SBendtrans-112.2-7.7-172.8-66.5174.7174.900113.6F981 E988 Y995 R1029 L1033F981-E986 HydrophobicContact CD1-CG 4.39Å; F981-E986 WeakPolarHBondContact O-CB 3.18Å; F981-E986 PolarHBondContact O-N 3.23Å; E986-E988 PolarHBondContact O-N 3.33Å; E986-Y995 PolarHBondContact N-OH 2.83Å; E986-R1029 VanDerWaalsContact CD-NE 3.33Å; E986-R1029 WeakPolarHBondContact OE1-CB 3.44Å; E986-R1029 WeakPolarHBondContact OE1-CG 3.45Å; E986-R1029 IonicContact OE1-CZ 3.93Å; E986-R1029 IonicContact OE1-NE 3.79Å; E986-R1029 PolarHBondContact OE1-NE 2.77Å; E986-R1029 IonicContact OE1-NH2 3.9Å; E986-R1029 IonicContact OE2-CZ 2.62Å; E986-R1029 IonicContact OE2-NE 3.29Å; E986-R1029 PolarHBondContact OE2-NE 3.46Å; E986-R1029 IonicContact OE2-NH2 3.2Å; E986-R1029 PolarHBondContact OE2-NH2 3.32Å; E986-L1033 HydrophobicContact CG-CD1 4.41Å; E986-L1033 HydrophobicContact CG-CD2 4.2Å
987R83.5Confident83.3Confident66 Ų6636.8 Ų36.825%0.24919%0.192CC..  trans-56.3128.6172.7173-178.8-172.6-170.1-3109.3N983 D989 Y995N983-R987 WeakPolarHBondContact O-CD 3.09Å; R987-D989 HydrophobicContact CG-CB 4.08Å; R987-D989 IonicContact CZ-OD2 3.81Å; R987-D989 IonicContact NE-OD2 2.69Å; R987-D989 IonicContact NH2-OD2 3.24Å; R987-D989 PolarHBondContact NH2-OD2 3.21Å; R987-Y995 VanDerWaalsContact CA-OH 3.3Å; R987-Y995 WeakPolarHBondContact CA-OH 3.3Å; R987-Y995 HydrophobicContact CB-CD2 4.45Å; R987-Y995 HydrophobicContact CB-CE1 4.37Å; R987-Y995 HydrophobicContact CB-CE2 3.56Å; R987-Y995 WeakPolarHBondContact CB-OH 3.33Å; R987-Y995 HydrophobicContact CG-CD2 4.46Å; R987-Y995 HydrophobicContact CG-CE2 4.02Å; R987-Y995 PolarHBondContact N-OH 2.92Å; R987-Y995 WeakPolarHBondContact O-CE1 3.31Å; R987-Y995 PolarHBondContact O-OH 3.29Å
988E72.7Confident82.9Confident154 Ų15436.8 Ų36.872%0.7219%0.192SC*.  trans-106.5-2.8-179-62.2-163.2133.700112.6K184 E986 A990K184-E988 IonicContact NZ-OE1 2.91Å; E986-E988 PolarHBondContact O-N 3.33Å; E988-A990 PolarHBondContact O-N 3.09Å
989D68.4Low82.6Confident78 Ų7835.7 Ų35.742%0.41718%0.183SC..  trans-65.6117.6-179.217915.6000110.1R987 S991R987-D989 HydrophobicContact CG-CB 4.08Å; R987-D989 IonicContact CZ-OD2 3.81Å; R987-D989 IonicContact NE-OD2 2.69Å; R987-D989 IonicContact NH2-OD2 3.24Å; R987-D989 PolarHBondContact NH2-OD2 3.21Å; D989-S991 PolarHBondContact O-N 3.41Å; D989-S991 WeakPolarHBondContact OD1-CB 3.43Å; D989-S991 PolarHBondContact OD1-N 2.92Å; D989-S991 PolarHBondContact OD1-OG 3.47Å; D989-S991 PolarHBondContact OD2-OG 3.4Å
990A61.7Low82.3Confident25 Ų2533.8 Ų33.821%0.20718%0.176CC..  trans-71.4-19.5-179.100000111.8R41 E988 D992R41-A990 PolarHBondContact NH1-O 2.94Å; R41-A990 PolarHBondContact NH2-O 3.23Å; R41-A990 VanDerWaalsContact NH2-O 3.11Å; E988-A990 PolarHBondContact O-N 3.09Å; A990-D992 VanDerWaalsContact C-N 3.3Å; A990-D992 PolarHBondContact O-N 2.89Å; A990-D992 VanDerWaalsContact O-N 3.08Å
991S68.5Low82.1Confident40 Ų4036.3 Ų36.328%0.2819%0.188SC..SBendtrans-42.2-52.2-171.361.10000113.7R41 D989 A993R41-S991 PolarHBondContact NH2-O 3.02Å; D989-S991 PolarHBondContact O-N 3.41Å; D989-S991 WeakPolarHBondContact OD1-CB 3.43Å; D989-S991 PolarHBondContact OD1-N 2.92Å; D989-S991 PolarHBondContact OD1-OG 3.47Å; D989-S991 PolarHBondContact OD2-OG 3.4Å; S991-A993 PolarHBondContact O-N 3.2Å
992D72.3Confident82.1Confident22 Ų2236.2 Ų36.212%0.11819%0.188CC..  trans-86.5105.1178.2-177.2-1.4000112.1S950 R957 A990 S994 Y995S950-D992 WeakPolarHBondContact CB-OD2 3.44Å; R957-D992 IonicContact CZ-OD2 3.09Å; R957-D992 IonicContact NH1-OD1 2.74Å; R957-D992 IonicContact NH1-OD2 2.81Å; R957-D992 PolarHBondContact NH1-OD2 3.41Å; R957-D992 IonicContact NH2-OD2 3.78Å; R957-D992 PolarHBondContact NH2-OD2 2.88Å; R957-D992 VanDerWaalsContact NH2-OD2 3.12Å; A990-D992 VanDerWaalsContact C-N 3.3Å; A990-D992 PolarHBondContact O-N 2.89Å; A990-D992 VanDerWaalsContact O-N 3.08Å; D992-S994 VanDerWaalsContact CG-OG 3.29Å; D992-S994 PolarHBondContact O-N 3.1Å; D992-S994 WeakPolarHBondContact OD1-CB 3.47Å; D992-S994 PolarHBondContact OD1-N 3.25Å; D992-S994 PolarHBondContact OD1-OG 3.31Å; D992-S994 PolarHBondContact OD2-OG 3.4Å; D992-Y995 WeakPolarHBondContact O-CB 3.39Å; D992-Y995 PolarHBondContact O-N 3.24Å; D992-Y995 VanDerWaalsContact O-N 3.16Å
993A69.8Low82.2Confident13 Ų1333.1 Ų33.111%0.10717%0.166CC..THydrogen-bonded Turntrans-63.7-26179.600000114F189 V190 S991 Y995 F996F189-A993 VanDerWaalsContact O-CB 3.28Å; F189-A993 WeakPolarHBondContact O-CB 3.46Å; V190-A993 HydrophobicContact CB-CB 4.25Å; V190-A993 HydrophobicContact CG1-CB 4.28Å; V190-A993 HydrophobicContact CG2-CB 3.96Å; S991-A993 PolarHBondContact O-N 3.2Å; A993-Y995 PolarHBondContact O-N 3.11Å; A993-F996 WeakPolarHBondContact O-CD2 3.31Å
994S74Confident82.3Confident13 Ų1331 Ų319%0.09115%0.154CC..THydrogen-bonded Turntrans-74.2-16.6179.472.50000112.7C340 R957 D992 F996 R997 L998C340-S994 WeakPolarHBondContact SG-CA 3.39Å; C340-S994 VanDerWaalsContact SG-CB 3.51Å; R957-S994 PolarHBondContact NH1-OG 3.44Å; D992-S994 VanDerWaalsContact CG-OG 3.29Å; D992-S994 PolarHBondContact O-N 3.1Å; D992-S994 WeakPolarHBondContact OD1-CB 3.47Å; D992-S994 PolarHBondContact OD1-N 3.25Å; D992-S994 PolarHBondContact OD1-OG 3.31Å; D992-S994 PolarHBondContact OD2-OG 3.4Å; S994-F996 VanDerWaalsContact C-N 3.26Å; S994-F996 PolarHBondContact O-N 2.95Å; S994-R997 PolarHBondContact O-N 3.48Å; S994-L998 PolarHBondContact O-N 3.32Å
995Y78.6Confident82.6Confident5 Ų531.9 Ų31.92%0.0216%0.159CC..Hα-helixtrans-57.6-38-177.3177.6-96.9000112.6I984 I985 E986 R987 D992 A993 R997 L998 R999I984-Y995 VanDerWaalsContact C-CE2 3.46Å; I984-Y995 WeakPolarHBondContact O-CE2 3.27Å; I984-Y995 PolarHBondContact O-OH 3.27Å; I985-Y995 PolarHBondContact N-OH 2.78Å; I985-Y995 PolarHBondContact O-OH 2.92Å; E986-Y995 PolarHBondContact N-OH 2.83Å; R987-Y995 VanDerWaalsContact CA-OH 3.3Å; R987-Y995 WeakPolarHBondContact CA-OH 3.3Å; R987-Y995 HydrophobicContact CB-CD2 4.45Å; R987-Y995 HydrophobicContact CB-CE1 4.37Å; R987-Y995 HydrophobicContact CB-CE2 3.56Å; R987-Y995 WeakPolarHBondContact CB-OH 3.33Å; R987-Y995 HydrophobicContact CG-CD2 4.46Å; R987-Y995 HydrophobicContact CG-CE2 4.02Å; R987-Y995 PolarHBondContact N-OH 2.92Å; R987-Y995 WeakPolarHBondContact O-CE1 3.31Å; R987-Y995 PolarHBondContact O-OH 3.29Å; D992-Y995 WeakPolarHBondContact O-CB 3.39Å; D992-Y995 PolarHBondContact O-N 3.24Å; D992-Y995 VanDerWaalsContact O-N 3.16Å; A993-Y995 PolarHBondContact O-N 3.11Å; Y995-R997 PolarHBondContact O-N 3.46Å; Y995-L998 PolarHBondContact O-N 2.93Å; Y995-R999 HydrophobicContact CE1-CB 4.23Å; Y995-R999 WeakPolarHBondContact O-CB 3.04Å; Y995-R999 PolarHBondContact O-N 3.44Å
996F79.3Confident82.8Confident34 Ų3432 Ų3215%0.14916%0.159CC..Hα-helixtrans-64.6-41.3-178.2-52.6-79.2000112.3Y188 F342 A993 S994 F1000Y188-F996 AromaticContact CD1-CD2 3.86Å; Y188-F996 HydrophobicContact CD1-CD2 3.86Å; Y188-F996 HydrophobicContact CD1-CE2 4.19Å; Y188-F996 HydrophobicContact CD1-CG 4.35Å; Y188-F996 HydrophobicContact CE1-CB 4.21Å; Y188-F996 HydrophobicContact CE1-CD2 4.05Å; Y188-F996 HydrophobicContact CE1-CG 4.08Å; F342-F996 VanDerWaalsContact CE1-C 3.43Å; F342-F996 HydrophobicContact CE1-CB 4.04Å; F342-F996 WeakPolarHBondContact CE1-O 3.46Å; F342-F996 HydrophobicContact CE2-CB 4.08Å; F342-F996 HydrophobicContact CZ-CB 3.3Å; F342-F996 HydrophobicContact CZ-CG 4.46Å; A993-F996 WeakPolarHBondContact O-CD2 3.31Å; S994-F996 VanDerWaalsContact C-N 3.26Å; S994-F996 PolarHBondContact O-N 2.95Å; F996-F1000 PolarHBondContact O-N 3.2Å
997R84.3Confident83Confident31 Ų3129.8 Ų29.812%0.11715%0.15CC..Hα-helixtrans-63.9-47172.7177.7176.4171.2-178.5-9.6110.6A341 F342 D357 D955 S994 Y995 R999 F1000 E1001A341-R997 PolarHBondContact O-NH1 3.08Å; F342-R997 HydrophobicContact CD1-CB 4.27Å; F342-R997 HydrophobicContact CE1-CB 4.4Å; D357-R997 IonicContact OD2-CZ 3.77Å; D357-R997 IonicContact OD2-NH1 3.15Å; D357-R997 PolarHBondContact OD2-NH1 2.91Å; D357-R997 IonicContact OD2-NH2 3.85Å; D357-R997 PolarHBondContact OD2-NH2 3.26Å; D955-R997 IonicContact OD1-NH2 3.22Å; S994-R997 PolarHBondContact O-N 3.48Å; Y995-R997 PolarHBondContact O-N 3.46Å; R997-R999 VanDerWaalsContact C-N 3.34Å; R997-R999 PolarHBondContact O-N 3.11Å; R997-F1000 WeakPolarHBondContact O-CB 3.43Å; R997-F1000 PolarHBondContact O-N 3.03Å; R997-E1001 HydrophobicContact CG-CG 4.3Å; R997-E1001 WeakPolarHBondContact O-CG 3.11Å; R997-E1001 PolarHBondContact O-N 3.49Å
998L88.5Confident83.4Confident0 Ų032.2 Ų32.20%016%0.164CC..Hα-helixtrans-62.1-38.4-179.3-76.1161000113.3R957 V958 I961 S994 Y995 F1000 E1001 A1002R957-L998 HydrophobicContact CB-CD2 3.81Å; R957-L998 VanDerWaalsContact NE-CD1 3.32Å; R957-L998 VanDerWaalsContact NH1-CD1 3.32Å; V958-L998 HydrophobicContact CG2-CD2 3.82Å; I961-L998 HydrophobicContact CD1-CD2 3.71Å; S994-L998 PolarHBondContact O-N 3.32Å; Y995-L998 PolarHBondContact O-N 2.93Å; L998-F1000 VanDerWaalsContact C-N 3.32Å; L998-F1000 PolarHBondContact O-N 3.1Å; L998-E1001 PolarHBondContact O-N 3.31Å; L998-A1002 VanDerWaalsContact O-CB 3.27Å; L998-A1002 WeakPolarHBondContact O-CB 3.46Å; L998-A1002 PolarHBondContact O-N 3.22Å
999R89Confident84.5Confident35 Ų3526.5 Ų26.513%0.13214%0.137CC..Hα-helixtrans-57.6-47.2174.2177.5177.2-164.7-159.75.9110.9I985 Y995 R997 V1003 G1037 L1044I985-R999 WeakPolarHBondContact O-CD 3.44Å; I985-R999 PolarHBondContact O-NE 3.33Å; I985-R999 PolarHBondContact O-NH2 3.18Å; Y995-R999 HydrophobicContact CE1-CB 4.23Å; Y995-R999 WeakPolarHBondContact O-CB 3.04Å; Y995-R999 PolarHBondContact O-N 3.44Å; R997-R999 VanDerWaalsContact C-N 3.34Å; R997-R999 PolarHBondContact O-N 3.11Å; R999-V1003 WeakPolarHBondContact O-CG2 3.31Å; R999-V1003 PolarHBondContact O-N 3.35Å; R999-G1037 PolarHBondContact NH1-O 2.8Å; R999-G1037 PolarHBondContact NH2-O 3.25Å; R999-L1044 VanDerWaalsContact CD-CD2 3.5Å; R999-L1044 HydrophobicContact CG-CD1 4.14Å; R999-L1044 HydrophobicContact CG-CD2 3.9Å; R999-L1044 VanDerWaalsContact CZ-CD2 3.41Å; R999-L1044 VanDerWaalsContact NE-CD2 3.35Å
1000F89.8Confident85.7Confident5 Ų523.7 Ų23.72%0.02212%0.123CC..Hα-helixtrans-63.5-49.2176.6179.3-91.6000111.4P465 F996 R997 L998 A1002 V1003 Q1004 R1043 L1044 A1047P465-F1000 HydrophobicContact CB-CE2 4.28Å; P465-F1000 HydrophobicContact CB-CZ 3.81Å; P465-F1000 HydrophobicContact CG-CE2 3.69Å; P465-F1000 HydrophobicContact CG-CZ 3.73Å; F996-F1000 PolarHBondContact O-N 3.2Å; R997-F1000 WeakPolarHBondContact O-CB 3.43Å; R997-F1000 PolarHBondContact O-N 3.03Å; L998-F1000 VanDerWaalsContact C-N 3.32Å; L998-F1000 PolarHBondContact O-N 3.1Å; F1000-A1002 VanDerWaalsContact C-N 3.34Å; F1000-A1002 PolarHBondContact O-N 2.92Å; F1000-V1003 PolarHBondContact O-N 3.12Å; F1000-Q1004 HydrophobicContact CD1-CG 3.94Å; F1000-Q1004 HydrophobicContact CE1-CG 3.31Å; F1000-Q1004 HydrophobicContact CE2-CG 4.31Å; F1000-Q1004 HydrophobicContact CZ-CG 3.54Å; F1000-Q1004 VanDerWaalsContact CZ-NE2 3.28Å; F1000-Q1004 WeakPolarHBondContact O-CG 3.4Å; F1000-Q1004 PolarHBondContact O-N 2.98Å; F1000-R1043 VanDerWaalsContact CD1-NH2 3.34Å; F1000-R1043 HydrophobicContact CD2-CG 4.12Å; F1000-R1043 HydrophobicContact CE2-CG 3.58Å; F1000-R1043 HydrophobicContact CZ-CG 4.2Å; F1000-L1044 HydrophobicContact CD2-CD1 4.38Å; F1000-A1047 HydrophobicContact CD2-CB 4.41Å; F1000-A1047 HydrophobicContact CE2-CB 3.89Å
1001E91.7Very high87.3Confident53 Ų5322.7 Ų22.725%0.24812%0.115CC..Hα-helixtrans-62-38.8179.9-66-58.5157.500112.4V958 R997 L998 V1003 Q1004 L1005V958-E1001 HydrophobicContact CG2-CB 4.19Å; V958-E1001 HydrophobicContact CG2-CG 4.27Å; R997-E1001 HydrophobicContact CG-CG 4.3Å; R997-E1001 WeakPolarHBondContact O-CG 3.11Å; R997-E1001 PolarHBondContact O-N 3.49Å; L998-E1001 PolarHBondContact O-N 3.31Å; E1001-V1003 VanDerWaalsContact C-N 3.34Å; E1001-V1003 PolarHBondContact O-N 2.99Å; E1001-Q1004 WeakPolarHBondContact O-CB 3.2Å; E1001-Q1004 PolarHBondContact O-N 2.83Å; E1001-Q1004 VanDerWaalsContact O-N 3.17Å; E1001-L1005 WeakPolarHBondContact O-CG 3.35Å; E1001-L1005 PolarHBondContact O-N 3.06Å
1002A94.8Very high88.5Confident0 Ų021.1 Ų21.10%010%0.103CC..Hα-helixtrans-61.7-41.1176.300000112.2I961 L980 I984 I985 L998 F1000 L1005 L1006I961-A1002 HydrophobicContact CG2-CB 4.06Å; L980-A1002 HydrophobicContact CD1-CB 4.45Å; I984-A1002 HydrophobicContact CG2-CB 3.79Å; I985-A1002 HydrophobicContact CD1-CB 4.47Å; I985-A1002 HydrophobicContact CG1-CB 4.12Å; L998-A1002 VanDerWaalsContact O-CB 3.27Å; L998-A1002 WeakPolarHBondContact O-CB 3.46Å; L998-A1002 PolarHBondContact O-N 3.22Å; F1000-A1002 VanDerWaalsContact C-N 3.34Å; F1000-A1002 PolarHBondContact O-N 2.92Å; A1002-L1005 PolarHBondContact O-N 2.89Å; A1002-L1006 WeakPolarHBondContact O-CG 3.33Å; A1002-L1006 PolarHBondContact O-N 3.26Å
1003V95.3Very high89.3Confident2 Ų226.1 Ų26.11%0.01213%0.125CC..Hα-helixtrans-66.8-39.7174.6175.90000110.9I985 R999 F1000 E1001 L1006 L1007 L1044 A1047 V1048 L1051I985-V1003 HydrophobicContact CD1-CG2 4.36Å; I985-V1003 HydrophobicContact CG2-CG2 4.1Å; R999-V1003 WeakPolarHBondContact O-CG2 3.31Å; R999-V1003 PolarHBondContact O-N 3.35Å; F1000-V1003 PolarHBondContact O-N 3.12Å; E1001-V1003 VanDerWaalsContact C-N 3.34Å; E1001-V1003 PolarHBondContact O-N 2.99Å; V1003-L1006 PolarHBondContact O-N 3.04Å; V1003-L1007 PolarHBondContact O-N 3.46Å; V1003-L1044 HydrophobicContact CG2-CD1 4.12Å; V1003-A1047 HydrophobicContact CG1-CB 3.85Å; V1003-V1048 HydrophobicContact CG1-CG2 4.22Å; V1003-V1048 HydrophobicContact CG2-CG2 4.2Å; V1003-L1051 HydrophobicContact CG1-CB 4.47Å; V1003-L1051 HydrophobicContact CG1-CD2 4.33Å
1004Q94.5Very high90.2Very high14 Ų1431.1 Ų31.17%0.06514%0.141CC..Hα-helixtrans-62.4-41.2174-68.2-57.6-48.800112.2F1000 E1001 L1006 L1007 H1008F1000-Q1004 HydrophobicContact CD1-CG 3.94Å; F1000-Q1004 HydrophobicContact CE1-CG 3.31Å; F1000-Q1004 HydrophobicContact CE2-CG 4.31Å; F1000-Q1004 HydrophobicContact CZ-CG 3.54Å; F1000-Q1004 VanDerWaalsContact CZ-NE2 3.28Å; F1000-Q1004 WeakPolarHBondContact O-CG 3.4Å; F1000-Q1004 PolarHBondContact O-N 2.98Å; E1001-Q1004 WeakPolarHBondContact O-CB 3.2Å; E1001-Q1004 PolarHBondContact O-N 2.83Å; E1001-Q1004 VanDerWaalsContact O-N 3.17Å; Q1004-L1006 VanDerWaalsContact C-N 3.34Å; Q1004-L1006 PolarHBondContact O-N 3.33Å; Q1004-L1007 WeakPolarHBondContact O-CB 3.48Å; Q1004-L1007 PolarHBondContact O-N 3.49Å; Q1004-L1007 VanDerWaalsContact O-N 3.13Å; Q1004-H1008 PolarHBondContact O-N 3.02Å; Q1004-H1008 PolarHBondContact O-ND1 3.46Å
1005L96.2Very high90.5Very high22 Ų2233.6 Ų33.612%0.11517%0.169CC..Hα-helixtrans-63.3-40.2175.6-72.1170.8000111.7V958 I961 E962 V965 E1001 A1002 L1007 H1008 M1009V958-L1005 HydrophobicContact CG1-CD1 4.28Å; I961-L1005 HydrophobicContact CB-CD1 4.15Å; I961-L1005 HydrophobicContact CG2-CD1 3.7Å; E962-L1005 HydrophobicContact CB-CD1 4.06Å; E962-L1005 HydrophobicContact CB-CD2 4.04Å; E962-L1005 HydrophobicContact CG-CD2 3.99Å; V965-L1005 HydrophobicContact CG2-CB 4.12Å; E1001-L1005 WeakPolarHBondContact O-CG 3.35Å; E1001-L1005 PolarHBondContact O-N 3.06Å; A1002-L1005 PolarHBondContact O-N 2.89Å; L1005-L1007 VanDerWaalsContact C-N 3.29Å; L1005-L1007 PolarHBondContact O-N 3.03Å; L1005-H1008 PolarHBondContact O-N 3.03Å; L1005-M1009 PolarHBondContact O-N 3.47Å
1006L96.4Very high90.7Very high2 Ų236.6 Ų36.61%0.0118%0.184CC..Hα-helixtrans-65.7-29.5173-73170000112.9V965 L980 F981 I985 A1002 V1003 Q1004 M1009 P1010 L1051V965-L1006 HydrophobicContact CG1-CD2 4.1Å; V965-L1006 HydrophobicContact CG2-CD2 4.14Å; V965-L1006 HydrophobicContact CG2-CG 4.3Å; L980-L1006 HydrophobicContact CD2-CD1 4.05Å; L980-L1006 HydrophobicContact CD2-CD2 4.16Å; L980-L1006 HydrophobicContact CD2-CG 4.23Å; F981-L1006 HydrophobicContact CE2-CD1 4.08Å; F981-L1006 HydrophobicContact CZ-CD1 4.37Å; I985-L1006 HydrophobicContact CD1-CD1 3.69Å; A1002-L1006 WeakPolarHBondContact O-CG 3.33Å; A1002-L1006 PolarHBondContact O-N 3.26Å; V1003-L1006 PolarHBondContact O-N 3.04Å; Q1004-L1006 VanDerWaalsContact C-N 3.34Å; Q1004-L1006 PolarHBondContact O-N 3.33Å; L1006-M1009 CarbonylContact O-C 3.45Å; L1006-M1009 VanDerWaalsContact O-C 3.31Å; L1006-P1010 WeakPolarHBondContact O-CA 3.38Å; L1006-P1010 VanDerWaalsContact O-N 3.13Å; L1006-L1051 HydrophobicContact CB-CD1 4Å; L1006-L1051 HydrophobicContact CB-CD2 3.98Å; L1006-L1051 HydrophobicContact CD1-CD2 4.07Å
1007L94.1Very high90.3Very high12 Ų1240.9 Ų40.96%0.06322%0.217CC..Hα-helixtrans-68.7-44.3172.7-81.7167.7000112.1V1003 Q1004 L1005 E1050 L1051V1003-L1007 PolarHBondContact O-N 3.46Å; Q1004-L1007 WeakPolarHBondContact O-CB 3.48Å; Q1004-L1007 PolarHBondContact O-N 3.49Å; Q1004-L1007 VanDerWaalsContact O-N 3.13Å; L1005-L1007 VanDerWaalsContact C-N 3.29Å; L1005-L1007 PolarHBondContact O-N 3.03Å; L1007-E1050 HydrophobicContact CD1-CB 4.34Å; L1007-E1050 HydrophobicContact CD1-CG 4.46Å; L1007-E1050 HydrophobicContact CD2-CB 4.1Å; L1007-E1050 HydrophobicContact CD2-CG 3.83Å; L1007-L1051 HydrophobicContact CD2-CB 4.02Å; L1007-L1051 HydrophobicContact CD2-CD1 4.33Å; L1007-L1051 HydrophobicContact CG-CB 4.23Å; L1007-L1051 HydrophobicContact CG-CD1 4.45Å
1008H92.6Very high89.7Confident117 Ų11743.1 Ų43.154%0.54225%0.25SS..Hα-helixtrans-71-37.1178.9-71.776.8000111.8Q1004 L1005Q1004-H1008 PolarHBondContact O-N 3.02Å; Q1004-H1008 PolarHBondContact O-ND1 3.46Å; L1005-H1008 PolarHBondContact O-N 3.03Å
1009M94.8Very high89.5Confident34 Ų3443.7 Ų43.717%0.16726%0.255CS..SBendtrans-125.775179.8-67.3-170.5-72.700111E962 V965 D966 L1005 L1006E962-M1009 HydrophobicContact CG-CE 3.62Å; V965-M1009 HydrophobicContact CB-CE 4.48Å; V965-M1009 HydrophobicContact CG1-CB 3.77Å; V965-M1009 HydrophobicContact CG1-CE 4.15Å; V965-M1009 WeakPolarHBondContact CG1-O 3.29Å; D966-M1009 HydrophobicContact CB-CE 4.47Å; D966-M1009 HydrophobicContact CB-SD 4.29Å; L1005-M1009 PolarHBondContact O-N 3.47Å; L1006-M1009 CarbonylContact O-C 3.45Å; L1006-M1009 VanDerWaalsContact O-C 3.31Å
1010P94.6Very high89.4Confident18 Ų1851.9 Ų51.912%0.11729%0.285CS..  trans-63141.4-176.226-35000111.4R969 L1006 F1012 T1054 L1055R969-P1010 WeakPolarHBondContact CD-O 3.5Å; L1006-P1010 WeakPolarHBondContact O-CA 3.38Å; L1006-P1010 VanDerWaalsContact O-N 3.13Å; P1010-F1012 PolarHBondContact O-N 3.1Å; P1010-F1012 VanDerWaalsContact O-N 3.14Å; P1010-T1054 HydrophobicContact CB-CG2 4.36Å; P1010-L1055 HydrophobicContact CB-CD2 4.01Å
1011P93.9Very high89.4Confident5 Ų551.7 Ų51.73%0.03228%0.284CS..SBendtrans-58.6-28.7-179.322.1-33.9000112.1I968 R972 L1021 L1055I968-P1011 HydrophobicContact CG2-CB 4.12Å; R972-P1011 PolarHBondContact NH1-O 2.89Å; P1011-L1021 HydrophobicContact CB-CD1 3.84Å; P1011-L1055 HydrophobicContact CG-CD1 4.47Å; P1011-L1055 HydrophobicContact CG-CD2 4.11Å
1012F93.5Very high89.4Confident6 Ų650.7 Ų50.73%0.02628%0.281CS..SBendtrans-153162.4173.653.1-89.9000110.2P1010 E1016 S1019 L1021 D1022 L1026 L1055 Y1056P1010-F1012 PolarHBondContact O-N 3.1Å; P1010-F1012 VanDerWaalsContact O-N 3.14Å; F1012-E1016 WeakPolarHBondContact CB-OE2 3.32Å; F1012-S1019 WeakPolarHBondContact CB-OG 3.46Å; F1012-L1021 HydrophobicContact CD1-CB 3.86Å; F1012-L1021 HydrophobicContact CE1-CB 4.23Å; F1012-D1022 HydrophobicContact CE1-CB 4.42Å; F1012-D1022 HydrophobicContact CE2-CB 4.22Å; F1012-D1022 HydrophobicContact CZ-CB 4.13Å; F1012-L1026 HydrophobicContact CE1-CD2 3.66Å; F1012-L1026 HydrophobicContact CZ-CD2 4.06Å; F1012-L1055 HydrophobicContact CD2-CD2 4.17Å; F1012-L1055 HydrophobicContact CE1-CD1 4.49Å; F1012-L1055 HydrophobicContact CE1-CD2 4.25Å; F1012-L1055 HydrophobicContact CE2-CB 4.08Å; F1012-L1055 HydrophobicContact CE2-CD2 3.88Å; F1012-L1055 HydrophobicContact CE2-CG 4.44Å; F1012-L1055 HydrophobicContact CG-CD2 4.48Å; F1012-L1055 HydrophobicContact CZ-CB 4.19Å; F1012-L1055 HydrophobicContact CZ-CD1 4.11Å; F1012-L1055 HydrophobicContact CZ-CD2 3.92Å; F1012-L1055 HydrophobicContact CZ-CG 4.29Å; F1012-Y1056 HydrophobicContact CE2-CE1 4.13Å; F1012-Y1056 HydrophobicContact CZ-CE1 4.1Å; F1012-Y1056 AromaticContact CZ-CZ 3.9Å
1013Q90.7Very high89.2Confident128 Ų12851.8 Ų51.860%0.59829%0.287SS*.  trans-85.4150.3177.4-69-174.1-11.800111.9G1015 E1016Q1013-G1015 PolarHBondContact O-N 3.3Å; Q1013-E1016 PolarHBondContact N-OE2 3.46Å; Q1013-E1016 WeakPolarHBondContact O-CB 3.36Å; Q1013-E1016 PolarHBondContact O-N 3.01Å; Q1013-E1016 VanDerWaalsContact O-N 3.08Å
1014R87.7Confident89Confident117 Ų11754 Ų5444%0.44230%0.302SS..THydrogen-bonded Turntrans-58.4125.1176.7-169.5-177.3-59.2171.35.4110.8E1016 Y1053 T1054 L1055R1014-E1016 VanDerWaalsContact C-N 3.33Å; R1014-Y1053 PolarHBondContact NE-O 2.86Å; R1014-Y1053 VanDerWaalsContact NH2-C 3.29Å; R1014-Y1053 VanDerWaalsContact NH2-CD1 3.33Å; R1014-Y1053 VanDerWaalsContact NH2-CE1 3.3Å; R1014-Y1053 PolarHBondContact NH2-O 3.42Å; R1014-T1054 WeakPolarHBondContact CB-O 3.39Å; R1014-T1054 PolarHBondContact NE-O 2.87Å; R1014-T1054 PolarHBondContact NH2-O 2.95Å; R1014-L1055 WeakPolarHBondContact CA-O 3.25Å; R1014-L1055 WeakPolarHBondContact CG-O 3.48Å
1015G80.5Confident88.8Confident66 Ų6658.6 Ų58.668%0.6832%0.324SS*.THydrogen-bonded Turntrans83.23.2179.300000115Q1013 S1017Q1013-G1015 PolarHBondContact O-N 3.3Å; G1015-S1017 PolarHBondContact O-N 3.45Å; G1015-S1017 PolarHBondContact O-OG 2.93Å
1016E83Confident88.7Confident68 Ų6857.8 Ų57.832%0.31832%0.319SS..  trans-63.294.5172.1-171.2178.6167.600110R972 F1012 Q1013 R1014 G1018R972-E1016 IonicContact CZ-OE1 3.78Å; R972-E1016 IonicContact NE-OE1 3Å; R972-E1016 IonicContact NH2-OE1 3.85Å; R972-E1016 PolarHBondContact NH2-OE1 3.22Å; R972-E1016 IonicContact NH2-OE2 3.43Å; R972-E1016 PolarHBondContact NH2-OE2 3.02Å; R972-E1016 VanDerWaalsContact NH2-OE2 3.09Å; F1012-E1016 WeakPolarHBondContact CB-OE2 3.32Å; Q1013-E1016 PolarHBondContact N-OE2 3.46Å; Q1013-E1016 WeakPolarHBondContact O-CB 3.36Å; Q1013-E1016 PolarHBondContact O-N 3.01Å; Q1013-E1016 VanDerWaalsContact O-N 3.08Å; R1014-E1016 VanDerWaalsContact C-N 3.33Å; E1016-G1018 PolarHBondContact O-N 2.72Å
1017S70.1Confident88.5Confident123 Ų12357.7 Ų57.786%0.8632%0.319SS*.THydrogen-bonded Turntrans-71.3120-174.2-61.70000110.9G1015G1015-S1017 PolarHBondContact O-N 3.45Å; G1015-S1017 PolarHBondContact O-OG 2.93Å
1018G72.7Confident88.4Confident78 Ų7861.8 Ų61.880%0.80434%0.338SS*.THydrogen-bonded Turntrans89.417.1177.100000115.2E1016 R1020E1016-G1018 PolarHBondContact O-N 2.72Å; G1018-R1020 PolarHBondContact O-N 3.1Å
1019S83.2Confident88.5Confident13 Ų1357.9 Ų57.99%0.09132%0.318CS..  trans-57.2130.8166.4176.90000110.1F1012 L1021 D1022F1012-S1019 WeakPolarHBondContact CB-OG 3.46Å; S1019-L1021 PolarHBondContact O-N 3.27Å; S1019-L1021 PolarHBondContact OG-N 3.06Å; S1019-D1022 PolarHBondContact O-N 3.03Å
1020R86.2Confident88.4Confident207 Ų20756.3 Ų56.378%0.78131%0.31SS*.THydrogen-bonded Turntrans-64.7-22.4177-68.3-176.9178.1-178.6-0.7113.1G1018 T1023G1018-R1020 PolarHBondContact O-N 3.1Å; R1020-T1023 WeakPolarHBondContact O-CG2 2.8Å
1021L91.4Very high88.3Confident0 Ų056 Ų560%031%0.307CS..THydrogen-bonded Turntrans-89.8-12.2-179.7-59-178000112.7I968 R972 Q974 L977 P1011 F1012 S1019 T1023 L1026I968-L1021 HydrophobicContact CG2-CD1 3.8Å; R972-L1021 HydrophobicContact CB-CG 4.45Å; Q974-L1021 HydrophobicContact CB-CD2 4.11Å; L977-L1021 HydrophobicContact CD2-CB 4.39Å; L977-L1021 HydrophobicContact CD2-CD2 4.17Å; P1011-L1021 HydrophobicContact CB-CD1 3.84Å; F1012-L1021 HydrophobicContact CD1-CB 3.86Å; F1012-L1021 HydrophobicContact CE1-CB 4.23Å; S1019-L1021 PolarHBondContact O-N 3.27Å; S1019-L1021 PolarHBondContact OG-N 3.06Å; L1021-T1023 VanDerWaalsContact C-N 3.29Å; L1021-T1023 PolarHBondContact O-N 3.05Å; L1021-L1026 WeakPolarHBondContact O-CD2 3.32Å
1022D91.2Very high88.2Confident32 Ų3258.8 Ų58.817%0.17132%0.324CS..  trans-8079.9174.3-176.924.1000110.2F1012 S1019 Y1056 C1063F1012-D1022 HydrophobicContact CE1-CB 4.42Å; F1012-D1022 HydrophobicContact CE2-CB 4.22Å; F1012-D1022 HydrophobicContact CZ-CB 4.13Å; S1019-D1022 PolarHBondContact O-N 3.03Å; D1022-Y1056 VanDerWaalsContact OD1-CE1 3.26Å; D1022-Y1056 WeakPolarHBondContact OD1-CE1 3.28Å; D1022-Y1056 PolarHBondContact OD1-OH 2.84Å; D1022-C1063 PolarHBondContact OD1-SG 3.2Å
1023T91Very high88.1Confident23 Ų2358.8 Ų58.814%0.14132%0.324CS..  trans-111.3148.1-174.462.30000111.8R1020 L1021 Q1025 L1026 V1027R1020-T1023 WeakPolarHBondContact O-CG2 2.8Å; L1021-T1023 VanDerWaalsContact C-N 3.29Å; L1021-T1023 PolarHBondContact O-N 3.05Å; T1023-Q1025 PolarHBondContact O-N 3.41Å; T1023-L1026 PolarHBondContact O-N 2.82Å; T1023-L1026 PolarHBondContact OG1-N 2.9Å; T1023-V1027 PolarHBondContact O-N 2.69Å
1024P89.9Confident88.2Confident48 Ų4852.7 Ų52.731%0.31230%0.296SS..Hα-helixtrans-54.6-33.7171.3-25.233.3000113V1027 E1028 L1064P1024-V1027 PolarHBondContact O-N 3.49Å; P1024-E1028 WeakPolarHBondContact O-CB 3.5Å; P1024-E1028 PolarHBondContact O-N 2.86Å; P1024-L1064 HydrophobicContact CB-CD2 4.29Å
1025Q92Very high88.2Confident112 Ų11247.2 Ų47.252%0.52328%0.275SS..Hα-helixtrans-62.6-45.8178-67.179.52.500111.4T1023 V1027 E1028 R1029T1023-Q1025 PolarHBondContact O-N 3.41Å; Q1025-V1027 VanDerWaalsContact C-N 3.33Å; Q1025-V1027 PolarHBondContact O-N 3.08Å; Q1025-E1028 WeakPolarHBondContact O-CB 3.4Å; Q1025-E1028 PolarHBondContact O-N 2.9Å; Q1025-R1029 VanDerWaalsContact O-CG 3.27Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.32Å; Q1025-R1029 PolarHBondContact O-N 3.21Å
1026L93.8Very high88.5Confident4 Ų446.9 Ų46.92%0.02125%0.254CS..Hα-helixtrans-61.6-42.4176.9178.762.4000111.6L977 F981 F1012 L1021 T1023 E1028 R1029 L1030 L1055L977-L1026 HydrophobicContact CD2-CD1 4.34Å; L977-L1026 HydrophobicContact CD2-CD2 4.23Å; F981-L1026 HydrophobicContact CE1-CD1 4.23Å; F981-L1026 HydrophobicContact CE2-CD1 3.82Å; F981-L1026 HydrophobicContact CZ-CD1 3.57Å; F1012-L1026 HydrophobicContact CE1-CD2 3.66Å; F1012-L1026 HydrophobicContact CZ-CD2 4.06Å; L1021-L1026 WeakPolarHBondContact O-CD2 3.32Å; T1023-L1026 PolarHBondContact O-N 2.82Å; T1023-L1026 PolarHBondContact OG1-N 2.9Å; L1026-E1028 VanDerWaalsContact C-N 3.32Å; L1026-E1028 PolarHBondContact O-N 2.71Å; L1026-R1029 PolarHBondContact O-N 3.12Å; L1026-L1030 HydrophobicContact CD1-CD1 4.22Å; L1026-L1030 HydrophobicContact CD1-CG 4.27Å; L1026-L1030 HydrophobicContact CG-CD1 4.16Å; L1026-L1030 WeakPolarHBondContact O-CG 3.36Å; L1026-L1030 PolarHBondContact O-N 3.22Å; L1026-L1055 HydrophobicContact CD2-CD1 4.48Å
1027V92.5Very high88.3Confident0 Ų044.3 Ų44.30%025%0.246CC..Hα-helixtrans-59.8-44.9175.4175.70000110.9T1023 P1024 Q1025 W1031 Y1052 Y1056 P1061 C1063 L1064T1023-V1027 PolarHBondContact O-N 2.69Å; P1024-V1027 PolarHBondContact O-N 3.49Å; Q1025-V1027 VanDerWaalsContact C-N 3.33Å; Q1025-V1027 PolarHBondContact O-N 3.08Å; V1027-W1031 WeakPolarHBondContact O-CB 3.08Å; V1027-W1031 PolarHBondContact O-N 3.36Å; V1027-Y1052 HydrophobicContact CG1-CE2 4.15Å; V1027-Y1056 HydrophobicContact CG2-CE1 4.09Å; V1027-Y1056 HydrophobicContact CG2-CE2 3.79Å; V1027-Y1056 VanDerWaalsContact CG2-CZ 3.49Å; V1027-Y1056 WeakPolarHBondContact CG2-OH 3.43Å; V1027-P1061 HydrophobicContact CG1-CB 4.37Å; V1027-P1061 HydrophobicContact CG1-CG 3.88Å; V1027-P1061 HydrophobicContact CG2-CB 3.84Å; V1027-P1061 HydrophobicContact CG2-CG 4.05Å; V1027-C1063 WeakPolarHBondContact CG2-SG 3.49Å; V1027-L1064 HydrophobicContact CB-CD2 4.13Å; V1027-L1064 HydrophobicContact CG1-CD1 3.89Å; V1027-L1064 HydrophobicContact CG1-CD2 3.88Å; V1027-L1064 HydrophobicContact CG1-CG 4.01Å
1028E91.5Very high89Confident99 Ų9938.6 Ų38.646%0.46321%0.206SC..Hα-helixtrans-62.4-43.9177.8-178.2170.3-157.600112.4P1024 Q1025 L1026 W1031 T1032P1024-E1028 WeakPolarHBondContact O-CB 3.5Å; P1024-E1028 PolarHBondContact O-N 2.86Å; Q1025-E1028 WeakPolarHBondContact O-CB 3.4Å; Q1025-E1028 PolarHBondContact O-N 2.9Å; L1026-E1028 VanDerWaalsContact C-N 3.32Å; L1026-E1028 PolarHBondContact O-N 2.71Å; E1028-W1031 PolarHBondContact O-N 2.87Å; E1028-T1032 VanDerWaalsContact O-CB 3.24Å; E1028-T1032 WeakPolarHBondContact O-CB 3.36Å; E1028-T1032 PolarHBondContact O-N 2.78Å; E1028-T1032 PolarHBondContact O-OG1 2.84Å
1029R93.8Very high88.7Confident34 Ų3435.8 Ų35.813%0.12817%0.172CC..Hα-helixtrans-60.1-52.2176.4-70.6174.686.2158.922111.7D978 F981 S982 E986 Q1025 L1026 W1031 T1032 L1033D978-R1029 IonicContact OD1-NH1 3.06Å; D978-R1029 PolarHBondContact OD1-NH1 3.08Å; F981-R1029 HydrophobicContact CD1-CB 4.43Å; F981-R1029 HydrophobicContact CE1-CB 4.48Å; S982-R1029 PolarHBondContact OG-NH2 2.9Å; E986-R1029 VanDerWaalsContact CD-NE 3.33Å; E986-R1029 WeakPolarHBondContact OE1-CB 3.44Å; E986-R1029 WeakPolarHBondContact OE1-CG 3.45Å; E986-R1029 IonicContact OE1-CZ 3.93Å; E986-R1029 IonicContact OE1-NE 3.79Å; E986-R1029 PolarHBondContact OE1-NE 2.77Å; E986-R1029 IonicContact OE1-NH2 3.9Å; E986-R1029 IonicContact OE2-CZ 2.62Å; E986-R1029 IonicContact OE2-NE 3.29Å; E986-R1029 PolarHBondContact OE2-NE 3.46Å; E986-R1029 IonicContact OE2-NH2 3.2Å; E986-R1029 PolarHBondContact OE2-NH2 3.32Å; Q1025-R1029 VanDerWaalsContact O-CG 3.27Å; Q1025-R1029 WeakPolarHBondContact O-CG 3.32Å; Q1025-R1029 PolarHBondContact O-N 3.21Å; L1026-R1029 PolarHBondContact O-N 3.12Å; R1029-W1031 PolarHBondContact O-N 2.95Å; R1029-T1032 PolarHBondContact O-N 3.04Å; R1029-L1033 WeakPolarHBondContact O-CB 3.48Å; R1029-L1033 VanDerWaalsContact O-CG 3.29Å; R1029-L1033 WeakPolarHBondContact O-CG 3.4Å; R1029-L1033 PolarHBondContact O-N 3.44Å
1030L94.3Very high88.1Confident2 Ų235.5 Ų35.51%0.0117%0.172CC..Hα-helixtrans-61.5-42.9178-68.9172.5000112.1F981 L1026 L1033 M1034 V1048 L1051 Y1052 L1055 Y1056F981-L1030 HydrophobicContact CE1-CD2 3.92Å; F981-L1030 HydrophobicContact CE1-CG 4.44Å; F981-L1030 HydrophobicContact CZ-CD2 3.94Å; F981-L1030 HydrophobicContact CZ-CG 4.47Å; L1026-L1030 HydrophobicContact CD1-CD1 4.22Å; L1026-L1030 HydrophobicContact CD1-CG 4.27Å; L1026-L1030 HydrophobicContact CG-CD1 4.16Å; L1026-L1030 WeakPolarHBondContact O-CG 3.36Å; L1026-L1030 PolarHBondContact O-N 3.22Å; L1030-L1033 PolarHBondContact O-N 2.86Å; L1030-M1034 WeakPolarHBondContact O-CG 3.48Å; L1030-M1034 PolarHBondContact O-N 3.09Å; L1030-V1048 HydrophobicContact CD2-CG1 3.98Å; L1030-L1051 HydrophobicContact CD2-CD2 3.84Å; L1030-L1051 HydrophobicContact CD2-CG 4.37Å; L1030-Y1052 HydrophobicContact CB-CD2 3.96Å; L1030-Y1052 HydrophobicContact CD1-CD2 4.35Å; L1030-L1055 HydrophobicContact CD1-CD1 3.93Å; L1030-Y1056 HydrophobicContact CD1-CE2 4.21Å
1031W92Very high88Confident11 Ų1126.5 Ų26.54%0.04214%0.139CC..Hα-helixtrans-63.9-42.5177.8-168-98.6000112C122 R129 F134 V1027 E1028 R1029 L1033 M1034 N1035 Y1052C122-W1031 HydrophobicContact CB-CZ2 4.49Å; R129-W1031 VanDerWaalsContact C-CH2 3.48Å; R129-W1031 VanDerWaalsContact CA-CH2 3.48Å; R129-W1031 HydrophobicContact CB-CD2 3.89Å; R129-W1031 HydrophobicContact CB-CE3 3.84Å; R129-W1031 HydrophobicContact CB-CH2 4.11Å; R129-W1031 HydrophobicContact CB-CZ2 4.12Å; R129-W1031 HydrophobicContact CB-CZ3 3.95Å; R129-W1031 HydrophobicContact CG-CD2 3.96Å; R129-W1031 HydrophobicContact CG-CE3 4.43Å; R129-W1031 HydrophobicContact CG-CG 4.28Å; R129-W1031 HydrophobicContact CG-CZ2 4.23Å; R129-W1031 WeakPolarHBondContact O-CZ3 3.35Å; F134-W1031 HydrophobicContact CB-CH2 3.81Å; F134-W1031 HydrophobicContact CB-CZ3 4.21Å; V1027-W1031 WeakPolarHBondContact O-CB 3.08Å; V1027-W1031 PolarHBondContact O-N 3.36Å; E1028-W1031 PolarHBondContact O-N 2.87Å; R1029-W1031 PolarHBondContact O-N 2.95Å; W1031-L1033 VanDerWaalsContact C-N 3.35Å; W1031-M1034 HydrophobicContact CB-CE 4.5Å; W1031-M1034 HydrophobicContact CD2-CE 4.31Å; W1031-M1034 HydrophobicContact CE3-CE 3.54Å; W1031-M1034 HydrophobicContact CZ3-CE 4.1Å; W1031-M1034 PolarHBondContact O-N 2.8Å; W1031-N1035 VanDerWaalsContact CD1-ND2 3.29Å; W1031-N1035 PolarHBondContact NE1-ND2 2.83Å; W1031-N1035 WeakPolarHBondContact O-CB 3.46Å; W1031-N1035 PolarHBondContact O-N 2.87Å; W1031-Y1052 HydrophobicContact CE3-CE2 4.13Å; W1031-Y1052 AromaticContact CE3-CZ 3.95Å; W1031-Y1052 HydrophobicContact CZ3-CE1 4.47Å
1032T91.9Very high87.8Confident63 Ų6327 Ų2739%0.38714%0.142SC..Hα-helixtrans-63.9-41.6176.7-580000111E1028 R1029 Y1036 G1037E1028-T1032 VanDerWaalsContact O-CB 3.24Å; E1028-T1032 WeakPolarHBondContact O-CB 3.36Å; E1028-T1032 PolarHBondContact O-N 2.78Å; E1028-T1032 PolarHBondContact O-OG1 2.84Å; R1029-T1032 PolarHBondContact O-N 3.04Å; T1032-Y1036 HydrophobicContact CG2-CD2 4.14Å; T1032-Y1036 WeakPolarHBondContact O-CA 3.42Å; T1032-Y1036 PolarHBondContact O-N 2.83Å; T1032-G1037 PolarHBondContact O-N 3.25Å
1033L91.8Very high87.6Confident7 Ų728.8 Ų28.84%0.03715%0.147CC..Iπ-helixtrans-60-49.4174.5-74.9171.7000111.8F981 I985 E986 R1029 L1030 W1031 N1035 G1037 C1038 V1048F981-L1033 HydrophobicContact CD1-CD1 4.32Å; F981-L1033 HydrophobicContact CE1-CD1 4.1Å; I985-L1033 HydrophobicContact CG2-CD1 3.81Å; E986-L1033 HydrophobicContact CG-CD1 4.41Å; E986-L1033 HydrophobicContact CG-CD2 4.2Å; R1029-L1033 WeakPolarHBondContact O-CB 3.48Å; R1029-L1033 VanDerWaalsContact O-CG 3.29Å; R1029-L1033 WeakPolarHBondContact O-CG 3.4Å; R1029-L1033 PolarHBondContact O-N 3.44Å; L1030-L1033 PolarHBondContact O-N 2.86Å; W1031-L1033 VanDerWaalsContact C-N 3.35Å; L1033-N1035 PolarHBondContact O-N 2.84Å; L1033-G1037 CarbonylContact O-C 3.59Å; L1033-G1037 PolarHBondContact O-N 2.96Å; L1033-G1037 VanDerWaalsContact O-N 3.13Å; L1033-C1038 PolarHBondContact O-N 2.84Å; L1033-C1038 PolarHBondContact O-SG 2.88Å; L1033-V1048 HydrophobicContact CB-CG1 3.93Å
1034M91.8Very high87.6Confident0 Ų027.8 Ų27.80%014%0.141CC..Iπ-helixtrans-59.9-47.8178.2-70.4-174-6500112.3L131 F134 L1030 W1031 R1045 V1048 A1049 Y1052L131-M1034 HydrophobicContact CD1-SD 4.11Å; F134-M1034 HydrophobicContact CE1-CB 4.38Å; F134-M1034 HydrophobicContact CE2-CB 3.92Å; F134-M1034 HydrophobicContact CZ-CB 3.79Å; L1030-M1034 WeakPolarHBondContact O-CG 3.48Å; L1030-M1034 PolarHBondContact O-N 3.09Å; W1031-M1034 HydrophobicContact CB-CE 4.5Å; W1031-M1034 HydrophobicContact CD2-CE 4.31Å; W1031-M1034 HydrophobicContact CE3-CE 3.54Å; W1031-M1034 HydrophobicContact CZ3-CE 4.1Å; W1031-M1034 PolarHBondContact O-N 2.8Å; M1034-R1045 PolarHBondContact O-NE 3.48Å; M1034-V1048 HydrophobicContact CG-CB 4.2Å; M1034-V1048 HydrophobicContact CG-CG1 3.65Å; M1034-A1049 HydrophobicContact CG-CB 4.46Å; M1034-A1049 WeakPolarHBondContact SD-CA 3.33Å; M1034-A1049 HydrophobicContact SD-CB 3.88Å; M1034-Y1052 HydrophobicContact CE-CD1 4.18Å; M1034-Y1052 HydrophobicContact CE-CD2 3.5Å; M1034-Y1052 VanDerWaalsContact CE-CD2 3.5Å; M1034-Y1052 HydrophobicContact CE-CE2 3.97Å; M1034-Y1052 HydrophobicContact CE-CG 3.6Å; M1034-Y1052 HydrophobicContact SD-CG 4.18Å
1035N88.8Confident87.7Confident1 Ų125.7 Ų25.71%0.00513%0.126CC..Iπ-helixtrans-73-50.2-175.9-72.2-6000112.7F134 W1031 L1033 R1045F134-N1035 WeakPolarHBondContact CD2-OD1 3.4Å; F134-N1035 WeakPolarHBondContact CE2-OD1 3.3Å; W1031-N1035 VanDerWaalsContact CD1-ND2 3.29Å; W1031-N1035 PolarHBondContact NE1-ND2 2.83Å; W1031-N1035 WeakPolarHBondContact O-CB 3.46Å; W1031-N1035 PolarHBondContact O-N 2.87Å; L1033-N1035 PolarHBondContact O-N 2.84Å; N1035-R1045 PolarHBondContact O-NH2 3.05Å
1036Y85Confident87.7Confident60 Ų6020.7 Ų20.724%0.23510%0.103CC..Iπ-helixtrans-124.2-37.8-166.5-48-79.4000113.6L119 E120 C122 R124 T1032 C1038 T1039L119-Y1036 WeakPolarHBondContact O-CD1 3.43Å; E120-Y1036 HydrophobicContact CB-CD1 4.16Å; E120-Y1036 HydrophobicContact CB-CE1 3.69Å; E120-Y1036 VanDerWaalsContact CD-CE1 3.43Å; E120-Y1036 HydrophobicContact CG-CD1 4.35Å; E120-Y1036 HydrophobicContact CG-CE1 3.43Å; E120-Y1036 VanDerWaalsContact CG-CE1 3.43Å; E120-Y1036 WeakPolarHBondContact OE1-CE1 3.31Å; E120-Y1036 PolarHBondContact OE1-OH 2.82Å; C122-Y1036 PolarHBondContact O-OH 2.81Å; R124-Y1036 VanDerWaalsContact CG-OH 3.26Å; R124-Y1036 WeakPolarHBondContact CG-OH 3.42Å; T1032-Y1036 HydrophobicContact CG2-CD2 4.14Å; T1032-Y1036 WeakPolarHBondContact O-CA 3.42Å; T1032-Y1036 PolarHBondContact O-N 2.83Å; Y1036-C1038 VanDerWaalsContact C-N 3.33Å; Y1036-C1038 PolarHBondContact O-N 3.06Å; Y1036-T1039 WeakPolarHBondContact O-CB 3.38Å; Y1036-T1039 WeakPolarHBondContact O-CG2 3.42Å; Y1036-T1039 PolarHBondContact O-N 2.91Å; Y1036-T1039 PolarHBondContact O-OG1 3.47Å
1037G80.1Confident87.7Confident14 Ų1420.5 Ų20.514%0.14410%0.102CC..Iπ-helixtrans-77.4-14-166.600000115.5R999 T1032 L1033R999-G1037 PolarHBondContact NH1-O 2.8Å; R999-G1037 PolarHBondContact NH2-O 3.25Å; T1032-G1037 PolarHBondContact O-N 3.25Å; L1033-G1037 CarbonylContact O-C 3.59Å; L1033-G1037 PolarHBondContact O-N 2.96Å; L1033-G1037 VanDerWaalsContact O-N 3.13Å
1038C83.6Confident87.8Confident3 Ų320.5 Ų20.52%0.0210%0.103CC..THydrogen-bonded Turntrans-105.720177-60.30000112.9L1033 Y1036 G1040 D1041 L1044 R1045L1033-C1038 PolarHBondContact O-N 2.84Å; L1033-C1038 PolarHBondContact O-SG 2.88Å; Y1036-C1038 VanDerWaalsContact C-N 3.33Å; Y1036-C1038 PolarHBondContact O-N 3.06Å; C1038-G1040 PolarHBondContact O-N 2.88Å; C1038-D1041 PolarHBondContact O-N 2.93Å; C1038-L1044 HydrophobicContact CB-CD2 4.47Å; C1038-R1045 HydrophobicContact CB-CB 3.78Å; C1038-R1045 HydrophobicContact CB-CG 4.47Å
1039T67.2Low88Confident18 Ų1815.9 Ų15.911%0.118%0.082CC..THydrogen-bonded Turntrans-60.896.4-176.739.10000112.2Q67 L119 Y1036Q67-T1039 PolarHBondContact NE2-O 3.02Å; L119-T1039 HydrophobicContact CD2-CG2 3.94Å; Y1036-T1039 WeakPolarHBondContact O-CB 3.38Å; Y1036-T1039 WeakPolarHBondContact O-CG2 3.42Å; Y1036-T1039 PolarHBondContact O-N 2.91Å; Y1036-T1039 PolarHBondContact O-OG1 3.47Å
1040G70.5Confident88Confident7 Ų714.4 Ų14.47%0.0728%0.076CC..THydrogen-bonded Turntrans128-25.3-179.100000114.1S185 L216 C1038 P1042S185-G1040 VanDerWaalsContact CB-C 3.46Å; S185-G1040 WeakPolarHBondContact CB-O 3.41Å; S185-G1040 PolarHBondContact OG-O 3.23Å; L216-G1040 WeakPolarHBondContact CD1-O 3.15Å; C1038-G1040 PolarHBondContact O-N 2.88Å; G1040-P1042 WeakPolarHBondContact O-CD 3.46Å
1041D83.5Confident88Confident19 Ų1914.5 Ų14.510%0.1028%0.077CC..  trans-113.995.2179.9-172.8-10.2000110.9C1038 R1043 L1044 R1045C1038-D1041 PolarHBondContact O-N 2.93Å; D1041-R1043 VanDerWaalsContact C-N 3.27Å; D1041-R1043 PolarHBondContact O-N 3.12Å; D1041-R1043 WeakPolarHBondContact OD1-CA 3.39Å; D1041-R1043 VanDerWaalsContact OD1-CB 3.27Å; D1041-R1043 WeakPolarHBondContact OD1-CB 3.41Å; D1041-R1043 PolarHBondContact OD1-N 2.86Å; D1041-L1044 HydrophobicContact CB-CB 3.96Å; D1041-L1044 PolarHBondContact O-N 3.09Å; D1041-L1044 PolarHBondContact OD1-N 3.06Å; D1041-L1044 WeakPolarHBondContact OD2-CB 3.35Å; D1041-R1045 PolarHBondContact O-N 2.68Å
1042P86.8Confident88.2Confident10 Ų1014 Ų147%0.0658%0.075CC..Hα-helixtrans-63.7-33.7177.325.7-32.4000112H461 G1040 L1044 R1045 C1046H461-P1042 HydrophobicContact CB-CB 3.92Å; G1040-P1042 WeakPolarHBondContact O-CD 3.46Å; P1042-L1044 PolarHBondContact O-N 3.29Å; P1042-R1045 PolarHBondContact O-N 3.36Å; P1042-C1046 WeakPolarHBondContact O-CB 3.3Å; P1042-C1046 PolarHBondContact O-N 3.25Å; P1042-C1046 PolarHBondContact O-SG 2.87Å
1043R88.2Confident88.3Confident69 Ų6913.2 Ų13.226%0.267%0.065SC..Hα-helixtrans-63.9-45.8-179.7179.4-166.8167.1172.6-3.4110.4P465 F1000 D1041 A1047P465-R1043 HydrophobicContact CB-CG 4.44Å; P465-R1043 HydrophobicContact CG-CG 3.83Å; F1000-R1043 VanDerWaalsContact CD1-NH2 3.34Å; F1000-R1043 HydrophobicContact CD2-CG 4.12Å; F1000-R1043 HydrophobicContact CE2-CG 3.58Å; F1000-R1043 HydrophobicContact CZ-CG 4.2Å; D1041-R1043 VanDerWaalsContact C-N 3.27Å; D1041-R1043 PolarHBondContact O-N 3.12Å; D1041-R1043 WeakPolarHBondContact OD1-CA 3.39Å; D1041-R1043 VanDerWaalsContact OD1-CB 3.27Å; D1041-R1043 WeakPolarHBondContact OD1-CB 3.41Å; D1041-R1043 PolarHBondContact OD1-N 2.86Å; R1043-A1047 PolarHBondContact O-N 3.34Å
1044L89.8Confident88.3Confident3 Ų314.8 Ų14.82%0.0168%0.075CC..Hα-helixtrans-66.1-43.1175.3179.866.5000111.7R999 F1000 V1003 C1038 D1041 P1042 C1046 A1047 V1048R999-L1044 VanDerWaalsContact CD-CD2 3.5Å; R999-L1044 HydrophobicContact CG-CD1 4.14Å; R999-L1044 HydrophobicContact CG-CD2 3.9Å; R999-L1044 VanDerWaalsContact CZ-CD2 3.41Å; R999-L1044 VanDerWaalsContact NE-CD2 3.35Å; F1000-L1044 HydrophobicContact CD2-CD1 4.38Å; V1003-L1044 HydrophobicContact CG2-CD1 4.12Å; C1038-L1044 HydrophobicContact CB-CD2 4.47Å; D1041-L1044 HydrophobicContact CB-CB 3.96Å; D1041-L1044 PolarHBondContact O-N 3.09Å; D1041-L1044 PolarHBondContact OD1-N 3.06Å; D1041-L1044 WeakPolarHBondContact OD2-CB 3.35Å; P1042-L1044 PolarHBondContact O-N 3.29Å; L1044-C1046 VanDerWaalsContact C-N 3.32Å; L1044-C1046 PolarHBondContact O-N 2.94Å; L1044-A1047 WeakPolarHBondContact O-CB 3.45Å; L1044-A1047 PolarHBondContact O-N 3.02Å; L1044-A1047 VanDerWaalsContact O-N 3.14Å; L1044-V1048 HydrophobicContact CD1-CG2 4.26Å; L1044-V1048 HydrophobicContact CG-CG2 4.39Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.16Å; L1044-V1048 PolarHBondContact O-N 3.19Å
1045R92.6Very high88.4Confident4 Ų415 Ų152%0.0158%0.076CC..Hα-helixtrans-56.5-46.5176.6-178.2177.3-83158.1-5.3111.4T118 I121 F134 Y138 M1034 N1035 C1038 D1041 P1042 A1047 V1048 A1049T118-R1045 PolarHBondContact O-NH2 3.45Å; I121-R1045 VanDerWaalsContact CD1-CZ 3.47Å; F134-R1045 HydrophobicContact CZ-CG 4.45Å; Y138-R1045 HydrophobicContact CE1-CG 4.19Å; Y138-R1045 WeakPolarHBondContact OH-CD 3.41Å; M1034-R1045 PolarHBondContact O-NE 3.48Å; N1035-R1045 PolarHBondContact O-NH2 3.05Å; C1038-R1045 HydrophobicContact CB-CB 3.78Å; C1038-R1045 HydrophobicContact CB-CG 4.47Å; D1041-R1045 PolarHBondContact O-N 2.68Å; P1042-R1045 PolarHBondContact O-N 3.36Å; R1045-A1047 PolarHBondContact O-N 3.2Å; R1045-V1048 PolarHBondContact O-N 2.81Å; R1045-A1049 WeakPolarHBondContact O-CB 3.33Å; R1045-A1049 PolarHBondContact O-N 2.84Å
1046C93Very high88.5Confident6 Ų616 Ų164%0.0418%0.08CC..Hα-helixtrans-62.9-39.6175.9-70.10000112.5H461 P1042 L1044 A1049 E1050H461-C1046 PolarHBondContact O-SG 2.88Å; P1042-C1046 WeakPolarHBondContact O-CB 3.3Å; P1042-C1046 PolarHBondContact O-N 3.25Å; P1042-C1046 PolarHBondContact O-SG 2.87Å; L1044-C1046 VanDerWaalsContact C-N 3.32Å; L1044-C1046 PolarHBondContact O-N 2.94Å; C1046-A1049 PolarHBondContact O-N 2.98Å; C1046-E1050 WeakPolarHBondContact O-CB 3.49Å; C1046-E1050 PolarHBondContact O-N 2.94Å
1047A93.6Very high88.8Confident0 Ų013.3 Ų13.30%07%0.07CC..Hα-helixtrans-63.8-42.2175.600000112.4P465 F1000 V1003 R1043 L1044 R1045 E1050 L1051P465-A1047 HydrophobicContact CG-CB 4.3Å; F1000-A1047 HydrophobicContact CD2-CB 4.41Å; F1000-A1047 HydrophobicContact CE2-CB 3.89Å; V1003-A1047 HydrophobicContact CG1-CB 3.85Å; R1043-A1047 PolarHBondContact O-N 3.34Å; L1044-A1047 WeakPolarHBondContact O-CB 3.45Å; L1044-A1047 PolarHBondContact O-N 3.02Å; L1044-A1047 VanDerWaalsContact O-N 3.14Å; R1045-A1047 PolarHBondContact O-N 3.2Å; A1047-E1050 PolarHBondContact O-N 3.21Å; A1047-L1051 PolarHBondContact O-N 2.74Å
1048V95Very high89.1Confident1 Ų115.6 Ų15.61%0.0068%0.079CC..Hα-helixtrans-67-39.6175.8179.40000110.7V1003 L1030 L1033 M1034 L1044 R1045 E1050 L1051 Y1052V1003-V1048 HydrophobicContact CG1-CG2 4.22Å; V1003-V1048 HydrophobicContact CG2-CG2 4.2Å; L1030-V1048 HydrophobicContact CD2-CG1 3.98Å; L1033-V1048 HydrophobicContact CB-CG1 3.93Å; M1034-V1048 HydrophobicContact CG-CB 4.2Å; M1034-V1048 HydrophobicContact CG-CG1 3.65Å; L1044-V1048 HydrophobicContact CD1-CG2 4.26Å; L1044-V1048 HydrophobicContact CG-CG2 4.39Å; L1044-V1048 WeakPolarHBondContact O-CG2 3.16Å; L1044-V1048 PolarHBondContact O-N 3.19Å; R1045-V1048 PolarHBondContact O-N 2.81Å; V1048-E1050 VanDerWaalsContact C-N 3.3Å; V1048-E1050 PolarHBondContact O-N 2.78Å; V1048-L1051 WeakPolarHBondContact O-CB 3.49Å; V1048-L1051 PolarHBondContact O-N 2.66Å; V1048-Y1052 PolarHBondContact O-N 2.94Å
1049A94.5Very high89Confident2 Ų225.3 Ų25.32%0.01712%0.115CC..Hα-helixtrans-62-38.2173.800000112.3L131 M1034 R1045 C1046 L1051 Y1052 Y1053L131-A1049 HydrophobicContact CD1-CB 4.37Å; M1034-A1049 HydrophobicContact CG-CB 4.46Å; M1034-A1049 WeakPolarHBondContact SD-CA 3.33Å; M1034-A1049 HydrophobicContact SD-CB 3.88Å; R1045-A1049 WeakPolarHBondContact O-CB 3.33Å; R1045-A1049 PolarHBondContact O-N 2.84Å; C1046-A1049 PolarHBondContact O-N 2.98Å; A1049-L1051 VanDerWaalsContact C-N 3.35Å; A1049-Y1052 PolarHBondContact O-N 3.24Å; A1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; A1049-Y1053 PolarHBondContact O-N 2.87Å
1050E94.3Very high89.9Confident3 Ų326.9 Ų26.91%0.01412%0.119CC..Hα-helixtrans-69.2-34.6174.6-168.2168.5-163.500111.8R438 Y454 S464 L1007 C1046 A1047 V1048 Y1053 T1054R438-E1050 IonicContact CZ-OE1 2.8Å; R438-E1050 IonicContact NH1-OE1 2.75Å; R438-E1050 PolarHBondContact NH1-OE1 2.91Å; R438-E1050 IonicContact NH1-OE2 2.82Å; Y454-E1050 WeakPolarHBondContact OH-CA 3.5Å; Y454-E1050 WeakPolarHBondContact OH-CB 3.42Å; Y454-E1050 PolarHBondContact OH-N 3.4Å; Y454-E1050 VanDerWaalsContact OH-N 3.14Å; S464-E1050 VanDerWaalsContact CB-OE2 3.26Å; S464-E1050 WeakPolarHBondContact CB-OE2 3.48Å; S464-E1050 PolarHBondContact OG-OE2 3.35Å; L1007-E1050 HydrophobicContact CD1-CB 4.34Å; L1007-E1050 HydrophobicContact CD1-CG 4.46Å; L1007-E1050 HydrophobicContact CD2-CB 4.1Å; L1007-E1050 HydrophobicContact CD2-CG 3.83Å; C1046-E1050 WeakPolarHBondContact O-CB 3.49Å; C1046-E1050 PolarHBondContact O-N 2.94Å; A1047-E1050 PolarHBondContact O-N 3.21Å; V1048-E1050 VanDerWaalsContact C-N 3.3Å; V1048-E1050 PolarHBondContact O-N 2.78Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.32Å; E1050-Y1053 PolarHBondContact O-N 2.81Å; E1050-T1054 WeakPolarHBondContact O-CB 3.29Å; E1050-T1054 PolarHBondContact O-N 2.95Å; E1050-T1054 PolarHBondContact O-OG1 2.75Å
1051L94.8Very high90.7Very high4 Ų426.7 Ų26.72%0.02112%0.117CC..Hα-helixtrans-66.4-44.5174.2179.459.6000110.4V1003 L1006 L1007 L1030 A1047 V1048 A1049 Y1053 T1054 L1055V1003-L1051 HydrophobicContact CG1-CB 4.47Å; V1003-L1051 HydrophobicContact CG1-CD2 4.33Å; L1006-L1051 HydrophobicContact CB-CD1 4Å; L1006-L1051 HydrophobicContact CB-CD2 3.98Å; L1006-L1051 HydrophobicContact CD1-CD2 4.07Å; L1007-L1051 HydrophobicContact CD2-CB 4.02Å; L1007-L1051 HydrophobicContact CD2-CD1 4.33Å; L1007-L1051 HydrophobicContact CG-CB 4.23Å; L1007-L1051 HydrophobicContact CG-CD1 4.45Å; L1030-L1051 HydrophobicContact CD2-CD2 3.84Å; L1030-L1051 HydrophobicContact CD2-CG 4.37Å; A1047-L1051 PolarHBondContact O-N 2.74Å; V1048-L1051 WeakPolarHBondContact O-CB 3.49Å; V1048-L1051 PolarHBondContact O-N 2.66Å; A1049-L1051 VanDerWaalsContact C-N 3.35Å; L1051-Y1053 VanDerWaalsContact C-N 3.33Å; L1051-Y1053 PolarHBondContact O-N 2.97Å; L1051-T1054 PolarHBondContact O-N 2.84Å; L1051-L1055 HydrophobicContact CD1-CD1 4.1Å; L1051-L1055 HydrophobicContact CD1-CG 4.2Å; L1051-L1055 HydrophobicContact CG-CD1 4.2Å; L1051-L1055 WeakPolarHBondContact O-CG 3.39Å; L1051-L1055 PolarHBondContact O-N 2.83Å
1052Y94.8Very high90.7Very high0 Ų031.8 Ų31.80%015%0.149CC..Hα-helixtrans-59.3-45.3173.7-167.6-87.4000111.5R129 L131 V1027 L1030 W1031 M1034 V1048 A1049 L1055 Y1056 P1061R129-Y1052 PolarHBondContact O-OH 2.86Å; L131-Y1052 HydrophobicContact CB-CD1 4.07Å; L131-Y1052 HydrophobicContact CB-CE1 4.19Å; L131-Y1052 HydrophobicContact CD1-CD1 4.05Å; L131-Y1052 HydrophobicContact CD2-CD1 4.48Å; L131-Y1052 HydrophobicContact CG-CD1 4.43Å; V1027-Y1052 HydrophobicContact CG1-CE2 4.15Å; L1030-Y1052 HydrophobicContact CB-CD2 3.96Å; L1030-Y1052 HydrophobicContact CD1-CD2 4.35Å; W1031-Y1052 HydrophobicContact CE3-CE2 4.13Å; W1031-Y1052 AromaticContact CE3-CZ 3.95Å; W1031-Y1052 HydrophobicContact CZ3-CE1 4.47Å; M1034-Y1052 HydrophobicContact CE-CD1 4.18Å; M1034-Y1052 HydrophobicContact CE-CD2 3.5Å; M1034-Y1052 VanDerWaalsContact CE-CD2 3.5Å; M1034-Y1052 HydrophobicContact CE-CE2 3.97Å; M1034-Y1052 HydrophobicContact CE-CG 3.6Å; M1034-Y1052 HydrophobicContact SD-CG 4.18Å; V1048-Y1052 PolarHBondContact O-N 2.94Å; A1049-Y1052 PolarHBondContact O-N 3.24Å; Y1052-L1055 PolarHBondContact O-N 2.91Å; Y1052-Y1056 HydrophobicContact CD1-CD2 4.45Å; Y1052-Y1056 AromaticContact CD2-CD2 3.92Å; Y1052-Y1056 HydrophobicContact CD2-CD2 3.92Å; Y1052-Y1056 HydrophobicContact CD2-CE2 4.38Å; Y1052-Y1056 HydrophobicContact CE1-CD2 4.43Å; Y1052-Y1056 AromaticContact CE2-CD2 3.89Å; Y1052-Y1056 HydrophobicContact CE2-CD2 3.89Å; Y1052-Y1056 HydrophobicContact CE2-CE2 4.35Å; Y1052-Y1056 HydrophobicContact CG-CD2 4.23Å; Y1052-Y1056 PolarHBondContact O-N 3.35Å; Y1052-P1061 HydrophobicContact CE2-CG 4.49Å; Y1052-P1061 WeakPolarHBondContact OH-CD 3.16Å; Y1052-P1061 WeakPolarHBondContact OH-CG 3.32Å
1053Y93.9Very high90.6Very high47 Ų4732.8 Ų32.818%0.18416%0.155CC..Hα-helixtrans-56.4-54.9172.4-178.3-104000109.5L131 Y439 Y454 R1014 A1049 E1050 L1051 L1055 Y1056 G1057 N1058L131-Y1053 HydrophobicContact CD2-CD2 3.79Å; L131-Y1053 HydrophobicContact CD2-CG 4.18Å; Y439-Y1053 WeakPolarHBondContact OH-CD1 3.09Å; Y439-Y1053 WeakPolarHBondContact OH-CE1 3.41Å; Y454-Y1053 HydrophobicContact CD1-CD1 4.14Å; Y454-Y1053 AromaticContact CD1-CD2 3.86Å; Y454-Y1053 HydrophobicContact CD1-CD2 3.86Å; Y454-Y1053 HydrophobicContact CD1-CE1 4.43Å; Y454-Y1053 HydrophobicContact CD1-CE2 4.14Å; Y454-Y1053 AromaticContact CD1-CG 3.84Å; Y454-Y1053 HydrophobicContact CD1-CG 3.84Å; Y454-Y1053 HydrophobicContact CE1-CD1 4.18Å; Y454-Y1053 HydrophobicContact CE1-CD2 4.38Å; Y454-Y1053 AromaticContact CE1-CG 3.93Å; Y454-Y1053 HydrophobicContact CE1-CG 3.93Å; Y454-Y1053 AromaticContact CG-CD2 3.95Å; Y454-Y1053 HydrophobicContact CG-CD2 3.95Å; Y454-Y1053 HydrophobicContact CG-CE2 4.26Å; Y454-Y1053 HydrophobicContact CG-CG 4.33Å; R1014-Y1053 PolarHBondContact NE-O 2.86Å; R1014-Y1053 VanDerWaalsContact NH2-C 3.29Å; R1014-Y1053 VanDerWaalsContact NH2-CD1 3.33Å; R1014-Y1053 VanDerWaalsContact NH2-CE1 3.3Å; R1014-Y1053 PolarHBondContact NH2-O 3.42Å; A1049-Y1053 WeakPolarHBondContact O-CB 3.23Å; A1049-Y1053 PolarHBondContact O-N 2.87Å; E1050-Y1053 WeakPolarHBondContact O-CB 3.32Å; E1050-Y1053 PolarHBondContact O-N 2.81Å; L1051-Y1053 VanDerWaalsContact C-N 3.33Å; L1051-Y1053 PolarHBondContact O-N 2.97Å; Y1053-L1055 VanDerWaalsContact C-N 3.28Å; Y1053-L1055 PolarHBondContact O-N 3.25Å; Y1053-Y1056 PolarHBondContact O-N 2.84Å; Y1053-G1057 WeakPolarHBondContact O-CA 3.48Å; Y1053-G1057 PolarHBondContact O-N 2.83Å; Y1053-N1058 VanDerWaalsContact CD2-OD1 3.23Å; Y1053-N1058 WeakPolarHBondContact CD2-OD1 3.34Å; Y1053-N1058 WeakPolarHBondContact CE2-OD1 3.25Å
1054T92.6Very high90.5Very high40 Ų4030.2 Ų30.225%0.24515%0.147CC..Hα-helixtrans-51.9-46.8-177.4-61.50000111.6P1010 R1014 E1050 L1051P1010-T1054 HydrophobicContact CB-CG2 4.36Å; R1014-T1054 WeakPolarHBondContact CB-O 3.39Å; R1014-T1054 PolarHBondContact NE-O 2.87Å; R1014-T1054 PolarHBondContact NH2-O 2.95Å; E1050-T1054 WeakPolarHBondContact O-CB 3.29Å; E1050-T1054 PolarHBondContact O-N 2.95Å; E1050-T1054 PolarHBondContact O-OG1 2.75Å; L1051-T1054 PolarHBondContact O-N 2.84Å
1055L92.8Very high90Very high4 Ų434.9 Ų34.92%0.02118%0.177CC..Hα-helixtrans-75.6-39.5-177.9-62.2176.6000114.3P1010 P1011 F1012 R1014 L1026 L1030 L1051 Y1052 Y1053P1010-L1055 HydrophobicContact CB-CD2 4.01Å; P1011-L1055 HydrophobicContact CG-CD1 4.47Å; P1011-L1055 HydrophobicContact CG-CD2 4.11Å; F1012-L1055 HydrophobicContact CD2-CD2 4.17Å; F1012-L1055 HydrophobicContact CE1-CD1 4.49Å; F1012-L1055 HydrophobicContact CE1-CD2 4.25Å; F1012-L1055 HydrophobicContact CE2-CB 4.08Å; F1012-L1055 HydrophobicContact CE2-CD2 3.88Å; F1012-L1055 HydrophobicContact CE2-CG 4.44Å; F1012-L1055 HydrophobicContact CG-CD2 4.48Å; F1012-L1055 HydrophobicContact CZ-CB 4.19Å; F1012-L1055 HydrophobicContact CZ-CD1 4.11Å; F1012-L1055 HydrophobicContact CZ-CD2 3.92Å; F1012-L1055 HydrophobicContact CZ-CG 4.29Å; R1014-L1055 WeakPolarHBondContact CA-O 3.25Å; R1014-L1055 WeakPolarHBondContact CG-O 3.48Å; L1026-L1055 HydrophobicContact CD2-CD1 4.48Å; L1030-L1055 HydrophobicContact CD1-CD1 3.93Å; L1051-L1055 HydrophobicContact CD1-CD1 4.1Å; L1051-L1055 HydrophobicContact CD1-CG 4.2Å; L1051-L1055 HydrophobicContact CG-CD1 4.2Å; L1051-L1055 WeakPolarHBondContact O-CG 3.39Å; L1051-L1055 PolarHBondContact O-N 2.83Å; Y1052-L1055 PolarHBondContact O-N 2.91Å; Y1053-L1055 VanDerWaalsContact C-N 3.28Å; Y1053-L1055 PolarHBondContact O-N 3.25Å
1056Y91.9Very high89.2Confident22 Ų2239.4 Ų39.49%0.08620%0.201CC..Hα-helixtrans-124.2-19.5-167.5-56.9-62.3000115F1012 D1022 V1027 L1030 Y1052 Y1053 P1061F1012-Y1056 HydrophobicContact CE2-CE1 4.13Å; F1012-Y1056 HydrophobicContact CZ-CE1 4.1Å; F1012-Y1056 AromaticContact CZ-CZ 3.9Å; D1022-Y1056 VanDerWaalsContact OD1-CE1 3.26Å; D1022-Y1056 WeakPolarHBondContact OD1-CE1 3.28Å; D1022-Y1056 PolarHBondContact OD1-OH 2.84Å; V1027-Y1056 HydrophobicContact CG2-CE1 4.09Å; V1027-Y1056 HydrophobicContact CG2-CE2 3.79Å; V1027-Y1056 VanDerWaalsContact CG2-CZ 3.49Å; V1027-Y1056 WeakPolarHBondContact CG2-OH 3.43Å; L1030-Y1056 HydrophobicContact CD1-CE2 4.21Å; Y1052-Y1056 HydrophobicContact CD1-CD2 4.45Å; Y1052-Y1056 AromaticContact CD2-CD2 3.92Å; Y1052-Y1056 HydrophobicContact CD2-CD2 3.92Å; Y1052-Y1056 HydrophobicContact CD2-CE2 4.38Å; Y1052-Y1056 HydrophobicContact CE1-CD2 4.43Å; Y1052-Y1056 AromaticContact CE2-CD2 3.89Å; Y1052-Y1056 HydrophobicContact CE2-CD2 3.89Å; Y1052-Y1056 HydrophobicContact CE2-CE2 4.35Å; Y1052-Y1056 HydrophobicContact CG-CD2 4.23Å; Y1052-Y1056 PolarHBondContact O-N 3.35Å; Y1053-Y1056 PolarHBondContact O-N 2.84Å; Y1056-P1061 HydrophobicContact CD1-CB 3.78Å; Y1056-P1061 HydrophobicContact CD1-CG 4.05Å; Y1056-P1061 HydrophobicContact CD2-CG 4.22Å; Y1056-P1061 HydrophobicContact CE1-CB 4.08Å; Y1056-P1061 HydrophobicContact CG-CB 4.11Å; Y1056-P1061 HydrophobicContact CG-CG 3.85Å
1057G90.7Very high88.1Confident3 Ų339.9 Ų39.93%0.03120%0.204CC..THydrogen-bonded Turntrans71.5-155.1-174.300000112.4Y1053 R1059Y1053-G1057 WeakPolarHBondContact O-CA 3.48Å; Y1053-G1057 PolarHBondContact O-N 2.83Å; G1057-R1059 VanDerWaalsContact C-N 3.28Å; G1057-R1059 PolarHBondContact O-N 2.79Å
1058N86.6Confident86.7Confident62 Ų6248.4 Ų48.433%0.33224%0.244SC..THydrogen-bonded Turntrans-82.7-6.1-179.6-68.9-6.3000113.7D132 Y1053D132-N1058 HydrophobicContact CB-CB 4.48Å; Y1053-N1058 VanDerWaalsContact CD2-OD1 3.23Å; Y1053-N1058 WeakPolarHBondContact CD2-OD1 3.34Å; Y1053-N1058 WeakPolarHBondContact CE2-OD1 3.25Å
1059R81.2Confident85.2Confident207 Ų20752.5 Ų52.578%0.78129%0.287SS*.SBendtrans-94.6164.9-174.3-63.2-174.5-177.4-174.22.3110.6G1057G1057-R1059 VanDerWaalsContact C-N 3.28Å; G1057-R1059 PolarHBondContact O-N 2.79Å
1060R85.6Confident83.6Confident51 Ų5155.8 Ų55.819%0.19231%0.307CS..PPolyproline II helixtrans-60.6130.5173.5179176.6-176-76.62.4110.1L128 T130 T1062 L1064 P1065L128-R1060 VanDerWaalsContact O-CG 3.31Å; L128-R1060 WeakPolarHBondContact O-CG 3.26Å; T130-R1060 HydrophobicContact CG2-CB 4.18Å; R1060-T1062 PolarHBondContact O-N 2.79Å; R1060-L1064 PolarHBondContact NH1-O 3.2Å; R1060-L1064 PolarHBondContact NH2-O 3.3Å; R1060-P1065 VanDerWaalsContact NH2-C 3.32Å; R1060-P1065 PolarHBondContact NH2-O 2.81Å
1061P88.1Confident81.6Confident3 Ų363.1 Ų63.12%0.01935%0.345CS..PPolyproline II helixtrans-56.4134.9172.5-25.734.2000111.7V1027 Y1052 Y1056 C1063 L1064V1027-P1061 HydrophobicContact CG1-CB 4.37Å; V1027-P1061 HydrophobicContact CG1-CG 3.88Å; V1027-P1061 HydrophobicContact CG2-CB 3.84Å; V1027-P1061 HydrophobicContact CG2-CG 4.05Å; Y1052-P1061 HydrophobicContact CE2-CG 4.49Å; Y1052-P1061 WeakPolarHBondContact OH-CD 3.16Å; Y1052-P1061 WeakPolarHBondContact OH-CG 3.32Å; Y1056-P1061 HydrophobicContact CD1-CB 3.78Å; Y1056-P1061 HydrophobicContact CD1-CG 4.05Å; Y1056-P1061 HydrophobicContact CD2-CG 4.22Å; Y1056-P1061 HydrophobicContact CE1-CB 4.08Å; Y1056-P1061 HydrophobicContact CG-CB 4.11Å; Y1056-P1061 HydrophobicContact CG-CG 3.85Å; P1061-C1063 VanDerWaalsContact C-N 3.31Å; P1061-C1063 PolarHBondContact O-N 3.24Å; P1061-L1064 HydrophobicContact CB-CD1 4.29Å; P1061-L1064 HydrophobicContact CB-CG 4.22Å; P1061-L1064 HydrophobicContact CG-CD1 4.23Å; P1061-L1064 PolarHBondContact O-N 3Å
1062T84.4Confident79.6Confident127 Ų12768.5 Ų68.578%0.77937%0.373SS*.THydrogen-bonded Turntrans-73.4-24-176.542.40000113.3R1060 L1064R1060-T1062 PolarHBondContact O-N 2.79Å; T1062-L1064 VanDerWaalsContact C-N 3.29Å; T1062-L1064 PolarHBondContact O-N 2.87Å
1063C85Confident77.2Confident30 Ų3073.2 Ų73.220%0.20340%0.402CS..THydrogen-bonded Turntrans-71.5-20.2178.458.10000113.3D1022 V1027 P1061D1022-C1063 PolarHBondContact OD1-SG 3.2Å; V1027-C1063 WeakPolarHBondContact CG2-SG 3.49Å; P1061-C1063 VanDerWaalsContact C-N 3.31Å; P1061-C1063 PolarHBondContact O-N 3.24Å
1064L84.8Confident74.4Confident16 Ų1682.6 Ų82.68%0.08444%0.437CS..SBendtrans-72.5135.3179.4-69.2177.1000111.7R129 P1024 V1027 R1060 P1061 T1062R129-L1064 HydrophobicContact CB-CD1 4.19Å; R129-L1064 HydrophobicContact CG-CD1 4.46Å; P1024-L1064 HydrophobicContact CB-CD2 4.29Å; V1027-L1064 HydrophobicContact CB-CD2 4.13Å; V1027-L1064 HydrophobicContact CG1-CD1 3.89Å; V1027-L1064 HydrophobicContact CG1-CD2 3.88Å; V1027-L1064 HydrophobicContact CG1-CG 4.01Å; R1060-L1064 PolarHBondContact NH1-O 3.2Å; R1060-L1064 PolarHBondContact NH2-O 3.3Å; P1061-L1064 HydrophobicContact CB-CD1 4.29Å; P1061-L1064 HydrophobicContact CB-CG 4.22Å; P1061-L1064 HydrophobicContact CG-CD1 4.23Å; P1061-L1064 PolarHBondContact O-N 3Å; T1062-L1064 VanDerWaalsContact C-N 3.29Å; T1062-L1064 PolarHBondContact O-N 2.87Å
1065P80.7Confident71.8Confident100 Ų10084.8 Ų84.865%0.64945%0.45SS*.PPolyproline II helixtrans-63140.2177.927.6-34.8000111.1R1060R1060-P1065 VanDerWaalsContact NH2-C 3.32Å; R1060-P1065 PolarHBondContact NH2-O 2.81Å
1066L74.5Confident68.8Low100 Ų10094.3 Ų94.352%0.52449%0.491SS..PPolyproline II helixtrans-54.1132.7-178.5-70.7170.7000110.5E1068 L1072L1066-E1068 PolarHBondContact O-N 3.14Å; L1066-L1072 HydrophobicContact CD2-CB 4.18Å; L1066-L1072 HydrophobicContact CD2-CD1 3.32Å; L1066-L1072 HydrophobicContact CD2-CG 4.26Å
1067P69.2Low65.8Low16 Ų16101.8 Ų101.810%0.10453%0.527CS..PPolyproline II helixtrans-61.2138.4177.4-14.526.4000110.3K127 L128 G1069 V1070K127-P1067 HydrophobicContact CB-CB 3.89Å; K127-P1067 HydrophobicContact CB-CG 4.04Å; K127-P1067 HydrophobicContact CD-CB 3.93Å; K127-P1067 HydrophobicContact CG-CB 4.2Å; L128-P1067 HydrophobicContact CD2-CG 4.35Å; P1067-G1069 PolarHBondContact O-N 3.16Å; P1067-V1070 HydrophobicContact CB-CB 4.47Å; P1067-V1070 HydrophobicContact CB-CG2 3.94Å; P1067-V1070 HydrophobicContact CG-CG2 4.18Å; P1067-V1070 PolarHBondContact O-N 3.03Å
1068E64.9Low62.9Low178 Ų178105.1 Ų105.183%0.83256%0.561SS**THydrogen-bonded Turntrans-53.5126.9174.7-70.2-176165.900110.3L1066L1066-E1068 PolarHBondContact O-N 3.14Å
1069G63.8Low60Low88 Ų88113.9 Ų113.991%0.90759%0.589SS**THydrogen-bonded Turntrans92.7-1.9-177.300000116.1P1067P1067-G1069 PolarHBondContact O-N 3.16Å
1070V61.8Low57.5Low71 Ų71108.2 Ų108.243%0.4358%0.582SS.*  trans-106.2106.6-178.4-176.40000111.6P1067P1067-V1070 HydrophobicContact CB-CB 4.47Å; P1067-V1070 HydrophobicContact CB-CG2 3.94Å; P1067-V1070 HydrophobicContact CG-CG2 4.18Å; P1067-V1070 PolarHBondContact O-N 3.03Å
1071L50.8Low54.9Low156 Ų156112.2 Ų112.282%0.81761%0.611SS**  trans-83.7113.3170.7-98.4155.5000110.3V1073L1071-V1073 PolarHBondContact O-N 2.7Å
1072L52.7Low52Low117 Ų117117.9 Ų117.961%0.61364%0.641SS**  trans-8498.7176.5-126.1160.2000109.6L1066 R1074L1066-L1072 HydrophobicContact CD2-CB 4.18Å; L1066-L1072 HydrophobicContact CD2-CD1 3.32Å; L1066-L1072 HydrophobicContact CD2-CG 4.26Å; L1072-R1074 PolarHBondContact O-N 3.44Å
1073V44.1Very low49.3Very low99 Ų99119.4 Ų119.460%0.664%0.644SS**  trans-70.7110.9170.9-178.90000108.3L1071 V1075L1071-V1073 PolarHBondContact O-N 2.7Å; V1073-V1075 HydrophobicContact CG1-CG2 4.1Å; V1073-V1075 PolarHBondContact O-N 2.98Å
1074R35.9Very low46.7Very low245 Ų245124.1 Ų124.193%0.92567%0.666SS**  trans-70.593.4171.1-107.5-176.6176.6163.4-0.3109.1L1072 K1076L1072-R1074 PolarHBondContact O-N 3.44Å; R1074-K1076 PolarHBondContact O-N 3.26Å
1075V37.6Very low44Very low86 Ų86127.9 Ų127.952%0.52169%0.693SS.*  trans-80.8106.5165-174.80000107.4V1073 E1077V1073-V1075 HydrophobicContact CG1-CG2 4.1Å; V1073-V1075 PolarHBondContact O-N 2.98Å; V1075-E1077 PolarHBondContact O-N 3.32Å
1076K29.9Very low41.6Very low203 Ų203130.9 Ų130.988%0.88370%0.699SS**  trans-65.3123.6165.7-110.7-177.7173.6-174.90106.6R1074R1074-K1076 PolarHBondContact O-N 3.26Å
1077E29.3Very low39.4Very low180 Ų180133.4 Ų133.484%0.84171%0.713SS**SBendtrans78.4114.8177.7-58.8179.3171.200116.5V1075V1075-E1077 PolarHBondContact O-N 3.32Å
1078G29.3Very low37.4Very low72 Ų72139.4 Ų139.474%0.74274%0.744SS**SBendtrans50.7103.6146.500000119.5
1079R26.7Very low35.7Very low247 Ų247134.7 Ų134.793%0.93273%0.731SS**  trans65.4101.1155.4-58.7179.1176.2-177.7-2.1116.3
1080S29.2Very low34Very low88 Ų88138.7 Ų138.762%0.61572%0.723SS**  175.5132.8126.242.40000109.7
1081V30.9Very low32.4Very low135 Ų135138.9 Ų138.982%0.81873%0.732SS**  trans-78.9112.6158.9176.40000104.9N1083V1081-N1083 PolarHBondContact O-N 3.4Å
1082L26.9Very low31.3Very low122 Ų122136.3 Ų136.364%0.63973%0.727SS**  trans-71.8113.7165.6-79.6163.4000107.1I1084L1082-I1084 VanDerWaalsContact C-N 3.32Å; L1082-I1084 PolarHBondContact O-N 2.95Å
1083N27Very low30.2Very low158 Ų158137.6 Ų137.685%0.84573%0.73SS**  trans-61.696.5163.5-93.2-5.5000108V1081 S1085V1081-N1083 PolarHBondContact O-N 3.4Å; N1083-S1085 PolarHBondContact O-N 3.43Å
1084I30.6Very low29.5Very low130 Ų130137.4 Ų137.467%0.66773%0.725SS**  trans-76.8109158-63.2174.9000104.7L1082 E1086L1082-I1084 VanDerWaalsContact C-N 3.32Å; L1082-I1084 PolarHBondContact O-N 2.95Å; I1084-E1086 PolarHBondContact O-N 3.18Å; I1084-E1086 VanDerWaalsContact O-N 3.1Å
1085S29.3Very low29.3Very low94 Ų94133.5 Ų133.566%0.65772%0.717SS**  trans-12.4101.4169.752.80000114.7N1083 N1087N1083-S1085 PolarHBondContact O-N 3.43Å; S1085-N1087 PolarHBondContact O-N 3.36Å
1086E30Very low29Very low163 Ų163139.1 Ų139.176%0.76273%0.73SS**  trans-68.382.3155.8-79.5-177.6158.400108.1I1084 N1088I1084-E1086 PolarHBondContact O-N 3.18Å; I1084-E1086 VanDerWaalsContact O-N 3.1Å; E1086-N1088 PolarHBondContact O-N 2.82Å
1087N27.8Very low29.3Very low153 Ų153132.7 Ų132.782%0.81871%0.708SS**THydrogen-bonded Turntrans-87.242.9158.6-105.93.1000109.7S1085S1085-N1087 PolarHBondContact O-N 3.36Å
1088N27.7Very low29.7Very low143 Ų143129 Ų12977%0.76569%0.694SS**THydrogen-bonded Turntrans-138.311.7175.7-100.5-2.5000114.1E1086 K1090E1086-N1088 PolarHBondContact O-N 2.82Å; N1088-K1090 PolarHBondContact O-N 2.81Å
1089S27.6Very low30Very low78 Ų78132.1 Ų132.155%0.54569%0.689SS.*THydrogen-bonded Turntrans-85.426.9168.850.90000113.7
1090K28.9Very low30.5Very low173 Ų173125.2 Ų125.275%0.75267%0.67SS**THydrogen-bonded Turntrans-109.812.1166.5-85.9-169.4173.9-173.90113.6N1088 I1094N1088-K1090 PolarHBondContact O-N 2.81Å; K1090-I1094 WeakPolarHBondContact O-CD1 3.49Å
1091A27.5Very low31.1Very low74 Ų74125.3 Ų125.361%0.61266%0.664SS**SBendtrans-105.9-3.1-178.600000114.4
1092S28.9Very low31.8Very low103 Ų103125.4 Ų125.472%0.7265%0.653SS**SBendtrans-114.26177.353.50000114.3
1093E29.3Very low32.5Very low143 Ų143126.8 Ų126.867%0.66865%0.651SS**SBendtrans-96.84.3168.5-80.2-177.9150.500113T1097E1093-T1097 PolarHBondContact O-OG1 3.24Å; E1093-T1097 VanDerWaalsContact O-OG1 3.05Å
1094I30.3Very low33.2Very low96 Ų96124.7 Ų124.749%0.49264%0.635SS.*SBendtrans-101.2-18.3-173.4-63.6176.4000112.8K1090 T1097 D1098K1090-I1094 WeakPolarHBondContact O-CD1 3.49Å; I1094-T1097 PolarHBondContact O-OG1 2.77Å; I1094-D1098 PolarHBondContact O-N 2.83Å
1095E30.4Very low34.2Very low162 Ų162122.4 Ų122.476%0.75763%0.63SS**Hα-helixtrans-86-22.1-178.7-77.6-176.9155.400114.7
1096Y31.8Very low35.1Very low204 Ų204123.2 Ų123.280%0.862%0.624SS**Hα-helixtrans-89.1-23175.5-126.5-92.2000113.2
1097T36.7Very low35.7Very low69 Ų69117 Ų11742%0.42360%0.598SS.*Hα-helixtrans-79.5-25.9174.744.80000112E1093 I1094 N1101E1093-T1097 PolarHBondContact O-OG1 3.24Å; E1093-T1097 VanDerWaalsContact O-OG1 3.05Å; I1094-T1097 PolarHBondContact O-OG1 2.77Å; T1097-N1101 WeakPolarHBondContact O-CB 3.3Å; T1097-N1101 VanDerWaalsContact O-CG 3.26Å; T1097-N1101 PolarHBondContact O-N 2.6Å; T1097-N1101 PolarHBondContact O-ND2 2.75Å; T1097-N1101 VanDerWaalsContact O-ND2 3.12Å
1098D36.1Very low36.5Very low101 Ų101115.7 Ų115.754%0.5459%0.59SS.*Hα-helixtrans-73.3-35.4175.7-95.5-10.2000113.6I1094 N1101 K1102I1094-D1098 PolarHBondContact O-N 2.83Å; D1098-N1101 PolarHBondContact O-N 3.31Å; D1098-K1102 VanDerWaalsContact O-CB 3.23Å; D1098-K1102 WeakPolarHBondContact O-CB 3.38Å; D1098-K1102 PolarHBondContact O-N 2.94Å
1099E37.3Very low37.4Very low139 Ų139112.2 Ų112.265%0.6559%0.588SS**Hα-helixtrans-69.4-37.1173.1-73.8-158.9152.300112.5K1102 Y1103E1099-K1102 PolarHBondContact O-N 2.96Å; E1099-Y1103 PolarHBondContact O-N 2.93Å
1100L36Very low38.5Very low101 Ų101118.5 Ų118.553%0.52960%0.6SS.*Hα-helixtrans-67.6-36.3176.2-165.371.4000111.8K1104L1100-K1104 WeakPolarHBondContact O-CB 3.47Å; L1100-K1104 WeakPolarHBondContact O-CG 3.19Å; L1100-K1104 PolarHBondContact O-N 2.78Å; L1100-K1104 VanDerWaalsContact O-N 3.11Å
1101N41.1Very low39Very low91 Ų91113.5 Ų113.549%0.48760%0.598SS.*Hα-helixtrans-74.4-33.4174-75.4-29.8000112.5T1097 D1098 K1104 S1105T1097-N1101 WeakPolarHBondContact O-CB 3.3Å; T1097-N1101 VanDerWaalsContact O-CG 3.26Å; T1097-N1101 PolarHBondContact O-N 2.6Å; T1097-N1101 PolarHBondContact O-ND2 2.75Å; T1097-N1101 VanDerWaalsContact O-ND2 3.12Å; D1098-N1101 PolarHBondContact O-N 3.31Å; N1101-K1104 PolarHBondContact O-N 3.4Å; N1101-S1105 VanDerWaalsContact O-CB 3.25Å; N1101-S1105 WeakPolarHBondContact O-CB 3.3Å; N1101-S1105 PolarHBondContact O-N 3.29Å
1102K47.2Very low39.8Very low137 Ų137114.8 Ų114.860%0.59659%0.593SS**Hα-helixtrans-65.5-41.9174-161.2175.4-175.3-177.80111.4D1098 E1099 S1105 E1106D1098-K1102 VanDerWaalsContact O-CB 3.23Å; D1098-K1102 WeakPolarHBondContact O-CB 3.38Å; D1098-K1102 PolarHBondContact O-N 2.94Å; E1099-K1102 PolarHBondContact O-N 2.96Å; K1102-S1105 PolarHBondContact O-N 2.96Å; K1102-E1106 WeakPolarHBondContact O-CB 3.31Å; K1102-E1106 WeakPolarHBondContact O-CG 3.42Å; K1102-E1106 PolarHBondContact O-N 3.27Å
1103Y41.7Very low40.6Very low150 Ų150113.9 Ų113.959%0.58859%0.585SS**Hα-helixtrans-67.8-39.1174.8-166.4-101.8000113E1099 E1106 C1107E1099-Y1103 PolarHBondContact O-N 2.93Å; Y1103-E1106 PolarHBondContact O-N 3.3Å; Y1103-C1107 WeakPolarHBondContact O-CB 3.29Å; Y1103-C1107 PolarHBondContact O-N 3.49Å; Y1103-C1107 PolarHBondContact O-SG 3.04Å
1104K40.4Very low41Very low115 Ų115113.9 Ų113.950%0.559%0.589SS.*Hα-helixtrans-65-38.1172.3-78.8178.1178.7175.80112.1L1100 N1101 L1108L1100-K1104 WeakPolarHBondContact O-CB 3.47Å; L1100-K1104 WeakPolarHBondContact O-CG 3.19Å; L1100-K1104 PolarHBondContact O-N 2.78Å; L1100-K1104 VanDerWaalsContact O-N 3.11Å; N1101-K1104 PolarHBondContact O-N 3.4Å; K1104-L1108 WeakPolarHBondContact O-CB 3.44Å; K1104-L1108 WeakPolarHBondContact O-CD1 3.43Å; K1104-L1108 WeakPolarHBondContact O-CG 3.42Å; K1104-L1108 PolarHBondContact O-N 3.32Å; K1104-L1108 VanDerWaalsContact O-N 3.07Å
1105S52.7Low41.6Very low82 Ų82114.5 Ų114.557%0.57360%0.602SS**Hα-helixtrans-69.4-39.3176.4-168.20000112.3N1101 K1102 L1108 G1109N1101-S1105 VanDerWaalsContact O-CB 3.25Å; N1101-S1105 WeakPolarHBondContact O-CB 3.3Å; N1101-S1105 PolarHBondContact O-N 3.29Å; K1102-S1105 PolarHBondContact O-N 2.96Å; S1105-L1108 PolarHBondContact O-N 2.85Å; S1105-G1109 PolarHBondContact O-N 3.36Å
1106E46.9Very low42Very low111 Ų111115.3 Ų115.352%0.51960%0.602SS.*Hα-helixtrans-68-35.2175.3-76.9179-176.900112.8K1102 Y1103 G1109 R1110K1102-E1106 WeakPolarHBondContact O-CB 3.31Å; K1102-E1106 WeakPolarHBondContact O-CG 3.42Å; K1102-E1106 PolarHBondContact O-N 3.27Å; Y1103-E1106 PolarHBondContact O-N 3.3Å; E1106-G1109 PolarHBondContact O-N 2.99Å; E1106-R1110 PolarHBondContact O-N 3.12Å
1107C42.4Very low42.3Very low33 Ų33112 Ų11222%0.22360%0.596CS.*Hα-helixtrans-70.6-36.2174.1-70.20000112.5Y1103Y1103-C1107 WeakPolarHBondContact O-CB 3.29Å; Y1103-C1107 PolarHBondContact O-N 3.49Å; Y1103-C1107 PolarHBondContact O-SG 3.04Å
1108L44.8Very low42.3Very low124 Ų124115.1 Ų115.165%0.64961%0.606SS**Hα-helixtrans-72.2-31.3173.6-74.8162.7000112.1K1104 S1105 R1110K1104-L1108 WeakPolarHBondContact O-CB 3.44Å; K1104-L1108 WeakPolarHBondContact O-CD1 3.43Å; K1104-L1108 WeakPolarHBondContact O-CG 3.42Å; K1104-L1108 PolarHBondContact O-N 3.32Å; K1104-L1108 VanDerWaalsContact O-N 3.07Å; S1105-L1108 PolarHBondContact O-N 2.85Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.77Å
1109G48.3Very low42Very low70 Ų70115.9 Ų115.972%0.72262%0.616SS**Hα-helixtrans-70.5-16.8175.100000114.9S1105 E1106S1105-G1109 PolarHBondContact O-N 3.36Å; E1106-G1109 PolarHBondContact O-N 2.99Å
1110R50.4Low41.7Very low210 Ų210116.2 Ų116.279%0.79262%0.618SS**THydrogen-bonded Turntrans-99.87.2178.2-70.6-170.8-174.2-143.84.2114.8E1106 L1108 I1112E1106-R1110 PolarHBondContact O-N 3.12Å; L1108-R1110 VanDerWaalsContact C-N 3.28Å; L1108-R1110 PolarHBondContact O-N 2.77Å; R1110-I1112 VanDerWaalsContact C-N 3.3Å; R1110-I1112 HydrophobicContact CB-CD1 4.37Å; R1110-I1112 HydrophobicContact CB-CG1 4.3Å; R1110-I1112 PolarHBondContact O-N 2.64Å
1111G38.7Very low41.6Very low69 Ų69120.8 Ų120.871%0.71163%0.629SS**THydrogen-bonded Turntrans65.627.6174.600000114.6
1112I44.5Very low41.1Very low101 Ų101124.7 Ų124.752%0.51864%0.644SS.*  trans-85.7124.4178.6-56.8176.2000109R1110R1110-I1112 VanDerWaalsContact C-N 3.3Å; R1110-I1112 HydrophobicContact CB-CD1 4.37Å; R1110-I1112 HydrophobicContact CB-CG1 4.3Å; R1110-I1112 PolarHBondContact O-N 2.64Å
1113P45.7Very low40.3Very low83 Ų83126.4 Ų126.454%0.53965%0.654SS.*  trans-65.9137.6178.7-1729.4000112.2S1115 K1116P1113-S1115 PolarHBondContact O-N 2.78Å; P1113-K1116 PolarHBondContact O-N 3.25Å
1114L37.7Very low39.7Very low144 Ų144125.3 Ų125.375%0.75466%0.658SS**G310 helixtrans-57.1-10.1177.3-85.8136.7000115K1116L1114-K1116 VanDerWaalsContact C-N 3.32Å; L1114-K1116 PolarHBondContact O-N 2.73Å
1115S42.4Very low39.1Very low109 Ų109127.8 Ų127.876%0.76267%0.671SS**G310 helixtrans-84.47.4-179.456.90000115.3P1113P1113-S1115 PolarHBondContact O-N 2.78Å
1116K39.2Very low38Very low178 Ų178130.3 Ų130.377%0.77468%0.679SS**G310 helixtrans-120.216.2177.9-77.9-169.4175.7-176.20115P1113 L1114P1113-K1116 PolarHBondContact O-N 3.25Å; L1114-K1116 VanDerWaalsContact C-N 3.32Å; L1114-K1116 PolarHBondContact O-N 2.73Å
1117M37.1Very low37.1Very low135 Ų135131 Ų13167%0.66569%0.686SS**  trans-75.6130169.1-77-165160.300110.6
1118H37Very low36.4Very low135 Ų135139 Ų13963%0.62571%0.713SS**  trans-69.9142.8-174-146-103.3000111.3E1120H1118-E1120 IonicContact CE1-OE2 3.57Å; H1118-E1120 IonicContact ND1-OE2 2.71Å; H1118-E1120 PolarHBondContact ND1-OE2 3.35Å; H1118-E1120 PolarHBondContact O-N 2.68Å
1119P30.8Very low35.7Very low117 Ų117137.5 Ų137.576%0.7671%0.713SS**SBendtrans-80.334.8-172.534.2-35.9000114.6
1120E31.5Very low34.7Very low146 Ų146141.8 Ų141.868%0.68271%0.714SS**  trans-108.122.6-176.8-90.8178.5152.500113.9H1118H1118-E1120 IonicContact CE1-OE2 3.57Å; H1118-E1120 IonicContact ND1-OE2 2.71Å; H1118-E1120 PolarHBondContact ND1-OE2 3.35Å; H1118-E1120 PolarHBondContact O-N 2.68Å
1121Y33.8Very low33.6Very low196 Ų196137.1 Ų137.177%0.76971%0.712SS**SBendtrans-121.98.9-178.9-83.2-86.3000115
1122E30.4Very low33.1Very low174 Ų174142.2 Ų142.281%0.81372%0.718SS**SBendtrans-94.9-1.1174.6-81.4-178.4162.500114.4
1123E29.3Very low32.3Very low172 Ų172145.2 Ų145.280%0.80473%0.731SS**SBendtrans-100.19.6178.4-77.3-172.5162.900114.8
1124L29.9Very low31.4Very low127 Ų127148.4 Ų148.467%0.66574%0.743SS**SBendtrans-111.4-0.9-179.4-84157.4000114.6
1125E28.1Very low30.9Very low167 Ų167150.5 Ų150.578%0.7875%0.748SS**SBendtrans-93.9-18.3171.7-80.7-175.5156.400113.5
1126D28.6Very low30.1Very low136 Ų136149.2 Ų149.273%0.72774%0.744SS**THydrogen-bonded Turntrans-86-13.2-178.9-82.3-23.8000114.7
1127N28.4Very low29.5Very low125 Ų125148.5 Ų148.567%0.66875%0.749SS**THydrogen-bonded Turntrans-95.72.1-180-84.7-41.6000114.9
1128Y28.7Very low28.9Very low200 Ų200148.9 Ų148.978%0.78476%0.759SS**SBendtrans-103.5-2.5177-105.1-93.1000114.2
1129S28.8Very low28.4Very low93 Ų93151.7 Ų151.765%0.6578%0.775SS**SBendtrans-98.60.5179.6-162.90000115.1
1130E27.8Very low28.1Very low161 Ų161155.4 Ų155.475%0.75278%0.779SS**SBendtrans-103.5-6.9175.9-87-169.4153.600114.7
1131C28.2Very low27.8Very low111 Ų111156.9 Ų156.975%0.7579%0.791SS**SBendtrans-91.8-10.8177-92.90000115.1
1132E26.6Very low27.4Very low177 Ų177157 Ų15783%0.82780%0.799SS**SBendtrans-95.53.3179.7-77.8-167.3144.400114.9
1133M27.9Very low27.1Very low164 Ų164160.1 Ų160.181%0.80880%0.803SS**SBendtrans-106.57.7-177.7-79-81.4-70.900114.9
1134L27.8Very low26.9Very low150 Ų150159.1 Ų159.179%0.78580%0.803SS**SBendtrans-113.48.1-177-78168.1000116
1135H27.2Very low26.7Very low187 Ų187158.2 Ų158.287%0.86681%0.807SS**SBendtrans-123.818.5-179.9-95.582.8000116.1
1136A26.1Very low26.7Very low82 Ų82157.6 Ų157.668%0.67881%0.808SS**SBendtrans-125.855178.900000112.3
1137N25Very low26.5Very low163 Ų163160.4 Ų160.487%0.87282%0.817SS**SBendtrans-169.961.8163.8-93.2-30.9000112.6
1138T26.3Very low26.4Very low144 Ų144165.4 Ų165.488%0.88383%0.826SS**  trans-155.356163.5-19.80000112.4
1139M25.3Very low26.3Very low193 Ų193161.8 Ų161.895%0.95183%0.827SS**  trans-142.777.4162.6-80-150.6-179.300109.9
1140K24.4Very low26Very low196 Ų196162 Ų16285%0.85284%0.835SS**  trans-165.191.4163.6-104.5176.8-171.9176.60107.4
1141L24.8Very low26Very low177 Ų177161.2 Ų161.293%0.92784%0.84SS**  trans157.196.2151.9-90.4146000108.2
1142E26.5Very low26Very low198 Ų198160.8 Ų160.893%0.92584%0.838SS**  trans-178.679.7140.5-100.4177.8-16700106.8
1143R23.1Very low25.9Very low239 Ų239160.7 Ų160.790%0.90284%0.838SS**  trans-103.2110.5153.5-79.3-179.8176.3159.6-1.3104.4
1144D26.1Very low25.7Very low152 Ų152163.2 Ų163.281%0.81385%0.845SS**  -176.5139.7129.7-90.9-21.7000112.2
1145S24.7Very low25.5Very low107 Ų107163.1 Ų163.175%0.74885%0.845SS**  trans65.2108.8155.9600000119.2
1146I28.3Very low25.9Very low155 Ų155158.7 Ų158.780%0.79583%0.833SS**  -161.2108.7110.6-86.4147000107.3R1148I1146-R1148 HydrophobicContact CG2-CG 4.23Å
1147Q24.1Very low25.7Very low195 Ų195162 Ų16291%0.91183%0.834SS**  trans-66.2132.9160.3-74.2170.2-36.200108.7
1148R26.1Very low25.8Very low230 Ų230164 Ų16487%0.86884%0.836SS**  trans-121.5133.2155.9-80.7-172.4179.2-1740.4108.5I1146I1146-R1148 HydrophobicContact CG2-CG 4.23Å
1149P26.8Very low25.8Very low123 Ų123162.8 Ų162.880%0.79982%0.824SS**  trans-80.7144.3-178.732.9-31.6000110.9
1150A22.8Very low25.6Very low99 Ų99160.6 Ų160.682%0.81882%0.816SS**  trans-66.4140.3168.100000111.1
1151V27.7Very low25.7Very low144 Ų144161.5 Ų161.587%0.87382%0.819SS**  trans-135.2131.1150.9-1790000108.3
1152S27.9Very low25.5Very low101 Ų101164.8 Ų164.871%0.70682%0.819SS**  trans-76.6145.4-171.149.60000114.9
1153E24.1Very low25.5Very low176 Ų176161.3 Ų161.382%0.82282%0.817SS**  trans15.3124139.1-61.9-178.6152.800119.6
1154F25.5Very low25.5Very low217 Ų217160.9 Ų160.995%0.95282%0.815SS**  -153.2125.4126.3-105-79.8000109.8
1155N23.5Very low25.4Very low147 Ų147160.6 Ų160.679%0.78682%0.819SS**  trans-119.6170.5161.4-137.87.1000104.4
1156P33.8Very low25.4Very low95 Ų95159.1 Ų159.162%0.61782%0.821SS**  cis-150.4-167.414.739.7-15.8000116.3
1157Q23.2Very low25.2Very low150 Ų150159.4 Ų159.470%0.70182%0.824SS**  trans84115.3153-76.5175.8-18.200119.7
1158F26Very low25.2Very low205 Ų205160.1 Ų160.190%0.89983%0.825SS**  -155.9152.7105.3-108.1-75.9000112.5
1159D26.1Very low25Very low120 Ų120153.7 Ų153.764%0.64282%0.815SS**  trans-83.4155.7-152.7-80.3-57.9000118.7
1160L22.4Very low24.8Very low147 Ų147155.9 Ų155.977%0.7782%0.815SS**  trans-17139.2143.2-76.9131.2000117.4
1161K25.8Very low24.9Very low215 Ų215158 Ų15894%0.93581%0.812SS**  trans-153.598.5131.2-103.6175.1-164.9-178.20111.3
1162R21.7Very low24.8Very low245 Ų245157.9 Ų157.993%0.92581%0.806SS**  trans-86.3133149.8-92.5179.6172.6174.1-1.5107
1163S26.8Very low24.6Very low125 Ų125160.7 Ų160.787%0.87481%0.813SS**  trans-122.2139.9160.466.40000109.5
1164R22.4Very low24.6Very low231 Ų231157.7 Ų157.787%0.87281%0.812SS**  trans-93.8169.3-175.6-78.2174.5157.3171.6-6.1110.3
1165T24.2Very low24.7Very low145 Ų145152.2 Ų152.289%0.8980%0.8SS**  trans104.3129.2145.370.60000117.2
1166G25.1Very low24.6Very low77 Ų77153.1 Ų153.179%0.79481%0.805SS**  trans161.367.7174.100000111.3
1167N22.6Very low24.2Very low160 Ų160154.3 Ų154.386%0.85681%0.811SS**  trans-64134.5164.1-82.5-10.7000109.3
1168F24.6Very low24.1Very low211 Ų211157.6 Ų157.693%0.92582%0.823SS**  trans-146.8119.7143.4-104-81.2000108.8
1169S21.6Very low23.9Very low95 Ų95157.5 Ų157.566%0.66482%0.822SS**  trans-86.4165.3166.548.70000110.3
1170E23.1Very low23.8Very low168 Ų168163.3 Ų163.379%0.78584%0.835SS**  trans87.1105.4156.3-74.7-178.4-173.500119.2
1171L24Very low23.9Very low145 Ų145168.2 Ų168.276%0.75984%0.843SS**  149.1139105.2-88.8148.9000114.6
1172N27.1Very low23.8Very low141 Ų141163.9 Ų163.975%0.75484%0.835SS**  trans79.5107.4161.1-63.3-7.7000118
1173D22.2Very low23.8Very low160 Ų160160 Ų16086%0.85683%0.827SS**  48.9101.367.2-90.7-13.6000114.5
1174S24.1Very low23.7Very low113 Ų113164.8 Ų164.879%0.7983%0.826SS**  171.3137.3126.740.30000113.6
1175S27.7Very low23.9Very low102 Ų102161.9 Ų161.971%0.71383%0.827SS**  trans64.1114.6159.561.90000118
1176N22.7Very low23.9Very low165 Ų165159.2 Ų159.288%0.88281%0.814SS**  cis63.871.221.3-12811.4000114.5
1177T23.9Very low24Very low120 Ų120161.8 Ų161.874%0.73681%0.81SS**  trans-175.5107.5151.226.20000109.5
1178F22.3Very low24.7Very low219 Ų219162.2 Ų162.296%0.96181%0.812SS**  trans-16981137.4-105.3-75000107.8
1179K22.2Very low25Very low203 Ų203160.4 Ų160.488%0.88381%0.807SS**  trans-120.2139.5162-95.7-176.1174.91800106.6
1180R23.9Very low25.6Very low242 Ų242162.6 Ų162.691%0.91381%0.811SS**  trans85.1109.8175.1-64-179.7167.9173.5-4.2116.7
1181R24.2Very low26.1Very low251 Ų251166.1 Ų166.195%0.94784%0.835SS**  -163114.396.2-120.2176.1175.9169.1-2.8110.5
1182T22.8Very low26.2Very low123 Ų123167.2 Ų167.276%0.75584%0.839SS**  trans-88.9160.8153.537.90000108.8
1183E23Very low26.2Very low163 Ų163168.6 Ų168.676%0.76284%0.844SS**  trans93.3132.8162.5-62.5173.6-16400119.5
1184R23.5Very low26.4Very low226 Ų226169.1 Ų169.185%0.85384%0.843SS**  trans85.8117.2171.5-51.3179-172.9-160.4-3.2112.1
1185L27.1Very low26.5Very low170 Ų170172.4 Ų172.489%0.8985%0.846SS**  -151.3133.159.4-74.2150.6000111.9
1186S23.5Very low26.4Very low89 Ų89176.8 Ų176.862%0.62285%0.854SS**  trans-83.2158.5147.157.70000108.7
1187D28.4Very low26.7Very low132 Ų132177.5 Ų177.571%0.70685%0.852SS**  trans74.7107.9161.7-44.3-39.1000116.7
1188D35.9Very low26.9Very low169 Ų169181.6 Ų181.690%0.90486%0.861SS**  -172.8142.7100.1-88.8-28.2000111.9
1189E31.9Very low27.2Very low173 Ų173178.8 Ų178.881%0.80885%0.853SS**  trans-75.4170.1178.8-64.9-177.4134.600113.8
1190D34.7Very low27.7Very low141 Ų141176.8 Ų176.875%0.75485%0.851SS**  trans73.3101.8151.7-65.7-17.4000120.9
1191D33Very low28Very low242 Ų242170.8 Ų170.8100%1.29485%0.845SS**  -169.30113.3-101.7-21.7000112.4

Retrieved 1,191 of 1,191 residues in 1027.5 ms (Link to these results)

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