A0A024R5Q7_HUMAN Loading...

Adenylosuccinate synthetase isozyme 2

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB (P30520), UniProt , Accession A0A024R5Q7, Species HUMAN (Homo sapiens, Human), Gene ADSS, Length 456 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
1M40.9Very low39.7Very low231 Ų231137.2 Ų137.2100%1.13882%0.816SS**  0114.20-73.4174.3-178.200106.8F3M1-F3 PolarHBondContact O-N 3.16Å
2A40.2Very low39.8Very low107 Ų107135.2 Ų135.288%0.88481%0.814SS**  trans-77.8117.9-17900000109.1A4A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.39Å
3F41.5Very low39.9Very low188 Ų188136.2 Ų136.283%0.82581%0.811SS**  trans-73.587.7171.8-75.3-89.4000108.7M1 E5M1-F3 PolarHBondContact O-N 3.16Å; F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.11Å
4A39.8Very low40.4Very low92 Ų92135.1 Ų135.176%0.7681%0.809SS**  trans-88.375.3164.600000108.1A2 T6A2-A4 VanDerWaalsContact C-N 3.32Å; A2-A4 PolarHBondContact O-N 3.39Å; A4-T6 PolarHBondContact O-N 3.39Å
5E39.5Very low40.9Very low142 Ų142137.2 Ų137.266%0.66481%0.814SS**  trans-74.7106.1167.5-78.8-174.3168.500108.6F3 Y7F3-E5 VanDerWaalsContact C-N 3.32Å; F3-E5 PolarHBondContact O-N 3.11Å; E5-Y7 PolarHBondContact O-N 3.21Å; E5-Y7 VanDerWaalsContact O-N 3.16Å
6T38.5Very low41.5Very low134 Ų134132.3 Ų132.382%0.82280%0.801SS**  trans-71.499.7170.635.90000107.8A4 P8A4-T6 PolarHBondContact O-N 3.39Å; T6-P8 WeakPolarHBondContact O-CD 3.41Å
7Y34Very low42.1Very low200 Ų200133.5 Ų133.578%0.78480%0.802SS**  trans-61.2123.8169.6-73.6-78.8000109E5 A9E5-Y7 PolarHBondContact O-N 3.21Å; E5-Y7 VanDerWaalsContact O-N 3.16Å; Y7-A9 PolarHBondContact O-N 3.41Å
8P38.8Very low42.7Very low117 Ų117130.1 Ų130.176%0.7679%0.785SS**  trans-60.7131.1174.324.7-32.2000108.6T6 A10T6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-A10 PolarHBondContact O-N 3.37Å
9A41.5Very low43.2Very low100 Ų100127 Ų12783%0.82678%0.782SS**  trans-48.6114.6175.400000108.8Y7 S11Y7-A9 PolarHBondContact O-N 3.41Å; A9-S11 PolarHBondContact O-N 3.47Å
10A41.4Very low43.4Very low98 Ų98131.6 Ų131.681%0.8178%0.784SS**  trans-52.7112.2178.700000108.1P8 S12P8-A10 PolarHBondContact O-N 3.37Å; A10-S12 PolarHBondContact O-N 3.12Å
11S40.1Very low43.6Very low100 Ų100131.3 Ų131.370%0.69979%0.786SS**  trans-49.6125.8174.255.90000108.1A9 L13A9-S11 PolarHBondContact O-N 3.47Å; S11-L13 PolarHBondContact O-N 3.41Å
12S41.4Very low44.3Very low113 Ų113130.4 Ų130.479%0.7977%0.77SS**  trans-45.5103.5172.851.80000109.3A10A10-S12 PolarHBondContact O-N 3.12Å
13L40.8Very low45Very low149 Ų149129.7 Ų129.778%0.7876%0.764SS**  trans-53.7132.8169.6-79.6164.5000106.7S11 N15S11-L13 PolarHBondContact O-N 3.41Å; L13-N15 PolarHBondContact O-N 2.98Å; L13-N15 VanDerWaalsContact O-N 3.09Å
14P46.7Very low45.6Very low120 Ų120131.7 Ų131.778%0.77977%0.766SS**  trans-53.9125.3177.2-19.229.4000107.5G16P14-G16 PolarHBondContact O-N 3.36Å
15N47.8Very low46.3Very low167 Ų167130.9 Ų130.989%0.89375%0.754SS**  trans-60.985.5167.5-80.4-22.8000106.8L13 D17L13-N15 PolarHBondContact O-N 2.98Å; L13-N15 VanDerWaalsContact O-N 3.09Å; N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 2.76Å
16G51.1Low47.6Very low59 Ų59127.2 Ų127.261%0.60875%0.754SS**  trans-61.4100.4166.300000105.8P14 C18P14-G16 PolarHBondContact O-N 3.36Å; G16-C18 PolarHBondContact O-N 3Å; G16-C18 PolarHBondContact O-SG 3.39Å; G16-C18 VanDerWaalsContact O-SG 3.38Å
17D51.8Low49.8Very low152 Ų152122.4 Ų122.481%0.81373%0.731SS**  trans-66.565172.2-174.620.7000109.2N15 G19N15-D17 VanDerWaalsContact C-N 3.28Å; N15-D17 PolarHBondContact O-N 2.76Å; D17-G19 VanDerWaalsContact C-N 3.27Å; D17-G19 PolarHBondContact O-N 2.75Å; D17-G19 VanDerWaalsContact O-N 3.1Å
18C53.7Low52.8Low72 Ų72113.9 Ų113.949%0.48670%0.699SS.*  trans-7888.7165.145.80000106.1G16 R20G16-C18 PolarHBondContact O-N 3Å; G16-C18 PolarHBondContact O-SG 3.39Å; G16-C18 VanDerWaalsContact O-SG 3.38Å; C18-R20 PolarHBondContact O-N 2.86Å
19G51.5Low55.6Low72 Ų72114.6 Ų114.674%0.74269%0.686SS**  trans-58.419.5177.500000116.4D17D17-G19 VanDerWaalsContact C-N 3.27Å; D17-G19 PolarHBondContact O-N 2.75Å; D17-G19 VanDerWaalsContact O-N 3.1Å
20R46.2Very low58.3Low218 Ų218109.8 Ų109.882%0.82365%0.647SS**SBendtrans-91.4119.7161.1-84.6-175.7173-179.3-1.8108C18 R22C18-R20 PolarHBondContact O-N 2.86Å; R20-R22 PolarHBondContact O-N 3.43Å
21P48Very low61Low126 Ų126107.1 Ų107.182%0.81862%0.62SS**  trans-52.9115.4165.122.6-31.6000107.1A23P21-A23 PolarHBondContact O-N 3.12Å
22R56.3Low63.8Low212 Ų212102.3 Ų102.380%0.859%0.587SS**  trans-61.3112.6172.8-70.4-175.4-178.8-174.81.1105.2R20 R24R20-R22 PolarHBondContact O-N 3.43Å; R22-R24 VanDerWaalsContact C-N 3.33Å; R22-R24 PolarHBondContact O-N 2.97Å
23A54.9Low66.5Low93 Ų9397 Ų9777%0.76955%0.549SS*.  trans-56105.4169.800000106.2P21P21-A23 PolarHBondContact O-N 3.12Å
24R53.3Low69.2Low229 Ų22989.9 Ų89.986%0.86451%0.512SS*.  trans-57.2131.4155.9-74.4-172.3178.1-168.4-0.2104.1R22 G26R22-R24 VanDerWaalsContact C-N 3.33Å; R22-R24 PolarHBondContact O-N 2.97Å; R24-G26 VanDerWaalsContact C-N 3.26Å; R24-G26 PolarHBondContact O-N 3.33Å
25P55.6Low71.6Confident76 Ų7684.1 Ų84.149%0.49448%0.475SS..  trans-58100178.515.5-21.9000107.5
26G66.5Low73.9Confident65 Ų6576.2 Ų76.267%0.6743%0.433SS*.  trans-64.6135.4162.500000105.6R24R24-G26 VanDerWaalsContact C-N 3.26Å; R24-G26 PolarHBondContact O-N 3.33Å
27G85.4Confident76.1Confident33 Ų3373.5 Ų73.534%0.3440%0.404SS..  trans174.1159.9-176.700000110L242G27-L242 CarbonylContact C-O 3.59Å; G27-L242 WeakPolarHBondContact CA-O 3.44Å
28N96.3Very high78Confident20 Ų2066.8 Ų66.811%0.10737%0.367CS..PPolyproline II helixtrans-65.9139174.2-63.2-46.2000109.7A241 L242 P245 P246 K247 I249 N289N28-A241 PolarHBondContact ND2-O 3.3Å; N28-L242 PolarHBondContact N-O 3.27Å; N28-L242 WeakPolarHBondContact O-CD2 3.47Å; N28-P245 PolarHBondContact ND2-O 3.42Å; N28-P246 VanDerWaalsContact OD1-CA 3.28Å; N28-P246 WeakPolarHBondContact OD1-CA 3.29Å; N28-K247 PolarHBondContact ND2-N 2.7Å; N28-K247 PolarHBondContact OD1-N 3.32Å; N28-K247 PolarHBondContact OD1-O 3.08Å; N28-I249 HydrophobicContact CB-CD1 4.23Å; N28-N289 PolarHBondContact O-ND2 3.05Å
29R96.6Very high79.7Confident132 Ų13264.1 Ų64.150%0.49835%0.352SS..PPolyproline II helixtrans-93.2151.7170.5-64-66.7-165.2-144.6-7.7109.2Q288 N289R29-Q288 PolarHBondContact NH1-O 2.65Å; R29-N289 CarbonylContact C-O 3.55Å; R29-N289 WeakPolarHBondContact CA-O 3.41Å
30V98.2Very high81.5Confident0 Ų061.6 Ų61.60%032%0.322CS..EExtended strand (participates in β ladder)trans-102.7122.6178.4-178.80000109.3V32 L242 I249 V251 M285 N289 G291V30-V32 HydrophobicContact CG1-CG2 4.28Å; V30-L242 HydrophobicContact CG2-CD2 3.57Å; V30-I249 WeakPolarHBondContact CA-O 3.45Å; V30-I249 HydrophobicContact CG1-CG2 4.1Å; V30-I249 HydrophobicContact CG2-CB 4.16Å; V30-I249 HydrophobicContact CG2-CG2 4Å; V30-V251 HydrophobicContact CG1-CB 4.29Å; V30-V251 HydrophobicContact CG1-CG2 3.27Å; V30-M285 HydrophobicContact CB-CE 4.13Å; V30-M285 HydrophobicContact CB-SD 4.4Å; V30-M285 HydrophobicContact CG2-CE 4.04Å; V30-M285 HydrophobicContact CG2-SD 3.89Å; V30-N289 PolarHBondContact N-O 2.81Å; V30-G291 WeakPolarHBondContact O-CA 3.31Å; V30-G291 PolarHBondContact O-N 2.88Å
31T98.6Very high83.7Confident41 Ų4151.2 Ų51.225%0.25228%0.283SS..EExtended strand (participates in β ladder)trans-81.6130.9169.9-61.80000108.8L50 I249 L250 V251 E292 Y294T31-L50 HydrophobicContact CG2-CD1 4.35Å; T31-I249 PolarHBondContact N-O 2.83Å; T31-L250 HydrophobicContact CG2-CD1 3.9Å; T31-L250 CarbonylContact O-C 3.57Å; T31-L250 WeakPolarHBondContact O-CA 3.4Å; T31-V251 PolarHBondContact O-N 3.08Å; T31-E292 CarbonylContact C-O 3.59Å; T31-E292 WeakPolarHBondContact CA-O 3.23Å; T31-Y294 HydrophobicContact CG2-CD2 3.68Å; T31-Y294 HydrophobicContact CG2-CE2 3.49Å; T31-Y294 VanDerWaalsContact CG2-CE2 3.49Å
32V98.7Very high85.7Confident0 Ų046.8 Ų46.80%026%0.26CS..EExtended strand (participates in β ladder)trans-117.2132-175.8-173.10000110V30 L34 V251 V279 V290 E292 V293 Y294V30-V32 HydrophobicContact CG1-CG2 4.28Å; V32-L34 HydrophobicContact CG1-CD1 4.12Å; V32-L34 HydrophobicContact CG1-CD2 4.05Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; V32-V251 HydrophobicContact CG1-CB 4.25Å; V32-V251 HydrophobicContact CG1-CG1 4.33Å; V32-V251 HydrophobicContact CG2-CB 4.33Å; V32-V279 HydrophobicContact CG1-CG2 3.71Å; V32-V279 HydrophobicContact CG2-CG1 4.27Å; V32-V290 HydrophobicContact CG2-CG1 4.19Å; V32-E292 PolarHBondContact N-O 3.04Å; V32-V293 HydrophobicContact CB-CG1 4.33Å; V32-V293 HydrophobicContact CB-CG2 4.41Å; V32-Y294 PolarHBondContact O-N 3.32Å
33V98.3Very high87.3Confident0 Ų036.9 Ų36.90%022%0.223CC..EExtended strand (participates in β ladder)trans-114115172.4-177.80000109.2V46 V47 L50 L250 V251 G253 V296V33-V46 HydrophobicContact CG1-CB 4.35Å; V33-V46 HydrophobicContact CG1-CG1 4.14Å; V33-V46 HydrophobicContact CG2-CG1 4.27Å; V33-V47 HydrophobicContact CB-CG2 4.04Å; V33-V47 HydrophobicContact CG1-CG2 3.97Å; V33-V47 HydrophobicContact CG2-CG2 4.29Å; V33-L50 HydrophobicContact CG2-CD1 3.69Å; V33-L250 HydrophobicContact CG2-CD1 3.83Å; V33-V251 PolarHBondContact N-O 3.36Å; V33-G253 PolarHBondContact O-N 3.13Å; V33-V296 HydrophobicContact CG1-CG2 3.47Å; V33-V296 VanDerWaalsContact CG1-CG2 3.47Å
34L98Very high88.9Confident0 Ų032.6 Ų32.60%019%0.187CC..EExtended strand (participates in β ladder)trans-122.5151.2178.8-62.3175.3000110.4V32 V276 V279 V293 Y294 V296 N353 F355V32-L34 HydrophobicContact CG1-CD1 4.12Å; V32-L34 HydrophobicContact CG1-CD2 4.05Å; V32-L34 HydrophobicContact CG1-CG 3.75Å; L34-V276 HydrophobicContact CD1-CB 4.45Å; L34-V279 HydrophobicContact CD2-CG2 4.45Å; L34-V293 HydrophobicContact CD1-CG1 4.33Å; L34-Y294 PolarHBondContact N-O 3.04Å; L34-V296 PolarHBondContact O-N 3.15Å; L34-N353 HydrophobicContact CD1-CB 4.41Å; L34-N353 VanDerWaalsContact CD1-OD1 3.25Å; L34-N353 WeakPolarHBondContact CD1-OD1 3.43Å; L34-F355 HydrophobicContact CB-CE1 4.32Å
35G96.8Very high90.6Very high0 Ų023.3 Ų23.30%015%0.153CC..EExtended strand (participates in β ladder)trans-80.9136.8169.600000109.5A256 A257G35-A256 WeakPolarHBondContact O-CA 3.05Å; G35-A256 VanDerWaalsContact O-CB 3.27Å; G35-A256 WeakPolarHBondContact O-CB 3.39Å; G35-A257 PolarHBondContact O-N 3.3Å; G35-A257 VanDerWaalsContact O-N 3.09Å
36A97Very high92.3Very high1 Ų119.7 Ų19.71%0.00813%0.13CC..SBendtrans-89.9-4.6179.600000113.3V296 V297 L346 A349 F355A36-V296 PolarHBondContact N-O 3.39Å; A36-V297 HydrophobicContact CB-CG2 3.81Å; A36-L346 HydrophobicContact CB-CD2 3.69Å; A36-A349 HydrophobicContact CB-CB 4.4Å; A36-A349 WeakPolarHBondContact O-CB 3.35Å; A36-F355 HydrophobicContact CB-CE2 3.89Å; A36-F355 HydrophobicContact CB-CZ 3.91Å
37Q95.6Very high93.6Very high1 Ų116.6 Ų16.61%0.00510%0.098CC..SBendtrans-124.1-122.2-177.9-58.1165.3-63.100109.6E41 A256 L258 Y300 T301 L346Q37-E41 WeakPolarHBondContact CA-OE1 3.42Å; Q37-E41 HydrophobicContact CB-CG 4.01Å; Q37-E41 VanDerWaalsContact CB-OE1 3.26Å; Q37-E41 WeakPolarHBondContact CB-OE1 3.39Å; Q37-E41 HydrophobicContact CG-CG 4.35Å; Q37-E41 PolarHBondContact N-OE1 3.02Å; Q37-E41 VanDerWaalsContact OE1-CG 3.23Å; Q37-A256 WeakPolarHBondContact O-CB 3.37Å; Q37-L258 WeakPolarHBondContact O-CB 3.34Å; Q37-L258 WeakPolarHBondContact O-CG 3.27Å; Q37-L258 PolarHBondContact O-N 3Å; Q37-Y300 PolarHBondContact NE2-O 3.21Å; Q37-T301 PolarHBondContact NE2-OG1 2.94Å; Q37-L346 HydrophobicContact CG-CD2 3.8Å
38W93Very high93.9Very high11 Ų1115.4 Ų15.44%0.0428%0.084CC..SBendtrans-108.217-175.8-73.3-74.5000115E41 L258 L259 T265 T301 R303 F309 L345W38-E41 PolarHBondContact N-OE1 3.45Å; W38-E41 VanDerWaalsContact N-OE1 3.1Å; W38-L258 VanDerWaalsContact CD1-CB 3.49Å; W38-L258 HydrophobicContact CD2-CB 4.07Å; W38-L258 HydrophobicContact CD2-CD1 3.84Å; W38-L258 HydrophobicContact CE3-CD1 4.09Å; W38-L258 HydrophobicContact CG-CB 3.98Å; W38-L258 HydrophobicContact CG-CD1 4.48Å; W38-L258 HydrophobicContact CH2-CD1 3.98Å; W38-L258 HydrophobicContact CZ2-CB 4.3Å; W38-L258 HydrophobicContact CZ2-CD1 3.69Å; W38-L258 HydrophobicContact CZ3-CD1 4.17Å; W38-L258 VanDerWaalsContact NE1-CB 3.25Å; W38-L258 PolarHBondContact NE1-O 3.09Å; W38-L259 HydrophobicContact CB-CG 4.35Å; W38-L259 WeakPolarHBondContact O-CD1 3.44Å; W38-T265 HydrophobicContact CZ2-CG2 3.98Å; W38-T301 HydrophobicContact CE3-CG2 3.96Å; W38-T301 HydrophobicContact CZ3-CG2 3.48Å; W38-T301 VanDerWaalsContact CZ3-CG2 3.48Å; W38-R303 HydrophobicContact CD2-CB 4.26Å; W38-R303 HydrophobicContact CD2-CG 4Å; W38-R303 HydrophobicContact CE3-CB 3.98Å; W38-R303 HydrophobicContact CE3-CG 4.23Å; W38-R303 HydrophobicContact CG-CG 4.12Å; W38-R303 VanDerWaalsContact CZ2-NH1 3.3Å; W38-R303 HydrophobicContact CZ3-CB 4.44Å; W38-F309 HydrophobicContact CH2-CD2 4.17Å; W38-F309 AromaticContact CZ3-CD2 3.98Å; W38-F309 HydrophobicContact CZ3-CD2 3.98Å; W38-F309 HydrophobicContact CZ3-CE2 4.14Å; W38-F309 HydrophobicContact CZ3-CG 4.49Å; W38-L345 HydrophobicContact CH2-CD1 3.36Å; W38-L345 HydrophobicContact CZ2-CD1 4.19Å; W38-L345 HydrophobicContact CZ3-CD1 3.74Å
39G89.2Confident93.7Very high16 Ų1616.3 Ų16.317%0.1659%0.088CC..SBendtrans101.5-2.5163.200000115.7E41 K43 A256G39-E41 WeakPolarHBondContact CA-OE2 3.34Å; G39-E41 VanDerWaalsContact N-CD 3.34Å; G39-E41 PolarHBondContact N-OE1 2.97Å; G39-E41 PolarHBondContact N-OE2 3.4Å; G39-K43 PolarHBondContact O-NZ 3.49Å; G39-A256 VanDerWaalsContact CA-CB 3.43Å
40D89.3Confident93.6Very high20 Ų2011.3 Ų11.311%0.1077%0.071CC..  trans-110.827.3179.766.7-60.5000113.6G42 K298 T302 R336D40-G42 PolarHBondContact O-N 3.19Å; D40-K298 WeakPolarHBondContact O-CE 3.43Å; D40-K298 PolarHBondContact O-NZ 3.14Å; D40-K298 IonicContact OD2-NZ 3.87Å; D40-K298 PolarHBondContact OD2-NZ 3.48Å; D40-T302 VanDerWaalsContact CG-OG1 3.29Å; D40-T302 PolarHBondContact OD1-OG1 2.99Å; D40-T302 VanDerWaalsContact OD2-CB 3.26Å; D40-T302 WeakPolarHBondContact OD2-CB 3.08Å; D40-T302 PolarHBondContact OD2-OG1 2.97Å; D40-R336 WeakPolarHBondContact OD2-CD 2.84Å; D40-R336 IonicContact OD2-CZ 2.64Å; D40-R336 IonicContact OD2-NE 3.59Å; D40-R336 PolarHBondContact OD2-NE 3.11Å; D40-R336 VanDerWaalsContact OD2-NE 3.15Å
41E92.8Very high93.4Very high0 Ų011.3 Ų11.30%07%0.072CC..SBendtrans-78.41.6-178.6-46.587166.200113.2Q37 W38 G39 A256 V296 K298 T361Q37-E41 WeakPolarHBondContact CA-OE1 3.42Å; Q37-E41 HydrophobicContact CB-CG 4.01Å; Q37-E41 VanDerWaalsContact CB-OE1 3.26Å; Q37-E41 WeakPolarHBondContact CB-OE1 3.39Å; Q37-E41 HydrophobicContact CG-CG 4.35Å; Q37-E41 PolarHBondContact N-OE1 3.02Å; Q37-E41 VanDerWaalsContact OE1-CG 3.23Å; W38-E41 PolarHBondContact N-OE1 3.45Å; W38-E41 VanDerWaalsContact N-OE1 3.1Å; G39-E41 WeakPolarHBondContact CA-OE2 3.34Å; G39-E41 VanDerWaalsContact N-CD 3.34Å; G39-E41 PolarHBondContact N-OE1 2.97Å; G39-E41 PolarHBondContact N-OE2 3.4Å; E41-A256 WeakPolarHBondContact OE1-CB 3.06Å; E41-V296 HydrophobicContact CB-CB 4.23Å; E41-V296 HydrophobicContact CB-CG1 3.82Å; E41-V296 WeakPolarHBondContact CB-O 3.39Å; E41-V296 WeakPolarHBondContact CG-O 3.38Å; E41-V296 WeakPolarHBondContact O-CG1 3.28Å; E41-K298 HydrophobicContact CB-CB 4.35Å; E41-T361 WeakPolarHBondContact O-CB 3.21Å; E41-T361 VanDerWaalsContact O-CG2 3.29Å; E41-T361 WeakPolarHBondContact O-CG2 3.5Å; E41-T361 PolarHBondContact O-OG1 3.25Å
42G89Confident93Very high33 Ų3314.7 Ų14.734%0.348%0.084SC..  trans84.132.9179.400000114.4D40 G44 K45D40-G42 PolarHBondContact O-N 3.19Å; G42-G44 PolarHBondContact O-N 3.36Å; G42-K45 PolarHBondContact O-N 2.93Å; G42-K45 VanDerWaalsContact O-N 3.12Å
43K91.4Very high92.8Very high3 Ų318.5 Ų18.51%0.01311%0.105CC..Hα-helixtrans-49.4-40.3177.9-61.1-171.8-58.2-71.50113.6G39 K45 V46 V47 H68 G253 N255 V296G39-K43 PolarHBondContact O-NZ 3.49Å; K43-K45 PolarHBondContact O-N 3Å; K43-K45 VanDerWaalsContact O-N 3.11Å; K43-V46 PolarHBondContact O-N 3.21Å; K43-V47 WeakPolarHBondContact O-CG2 3.4Å; K43-V47 PolarHBondContact O-N 3Å; K43-H68 WeakPolarHBondContact CE-NE2 3.47Å; K43-H68 PolarHBondContact NZ-NE2 2.88Å; K43-G253 WeakPolarHBondContact CE-O 3.32Å; K43-N255 WeakPolarHBondContact CE-O 3.2Å; K43-N255 PolarHBondContact NZ-O 2.92Å; K43-V296 HydrophobicContact CB-CG2 4.4Å; K43-V296 HydrophobicContact CG-CB 3.95Å; K43-V296 HydrophobicContact CG-CG1 4.34Å; K43-V296 HydrophobicContact CG-CG2 3.92Å
44G88.5Confident92.7Very high3 Ų318.9 Ų18.93%0.03111%0.108CC..Hα-helixtrans-51.8-35.8-179.700000113.6G42 D48G42-G44 PolarHBondContact O-N 3.36Å; G44-D48 VanDerWaalsContact O-CB 3.28Å; G44-D48 WeakPolarHBondContact O-CB 3.4Å; G44-D48 PolarHBondContact O-N 3.37Å
45K88.1Confident92.8Very high34 Ų3422.1 Ų22.115%0.14813%0.125CC..Hα-helixtrans-70-39.2177.5178.6169.4165.1170.30112.9G42 K43 L49 G446 S448 S451 M452G42-K45 PolarHBondContact O-N 2.93Å; G42-K45 VanDerWaalsContact O-N 3.12Å; K43-K45 PolarHBondContact O-N 3Å; K43-K45 VanDerWaalsContact O-N 3.11Å; K45-L49 PolarHBondContact O-N 2.98Å; K45-G446 PolarHBondContact NZ-O 3.13Å; K45-S448 VanDerWaalsContact CE-O 3.25Å; K45-S448 WeakPolarHBondContact CE-O 3.37Å; K45-S448 PolarHBondContact NZ-O 3.37Å; K45-S451 PolarHBondContact NZ-O 3.48Å; K45-M452 HydrophobicContact CG-CE 4.37Å
46V92.2Very high92.8Very high0 Ų022.3 Ų22.30%013%0.126CC..Hα-helixtrans-70.9-41.9176.5-179.40000110.1V33 K43 L49 L50 V296 A359 M452V33-V46 HydrophobicContact CG1-CB 4.35Å; V33-V46 HydrophobicContact CG1-CG1 4.14Å; V33-V46 HydrophobicContact CG2-CG1 4.27Å; K43-V46 PolarHBondContact O-N 3.21Å; V46-L49 PolarHBondContact O-N 3.48Å; V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 WeakPolarHBondContact O-CG 3.37Å; V46-L50 PolarHBondContact O-N 2.84Å; V46-V296 HydrophobicContact CB-CG2 4.26Å; V46-V296 HydrophobicContact CG2-CG1 4.21Å; V46-V296 HydrophobicContact CG2-CG2 4Å; V46-A359 HydrophobicContact CG1-CB 4.39Å; V46-A359 HydrophobicContact CG2-CB 3.56Å; V46-M452 HydrophobicContact CG2-CE 3.65Å
47V93.8Very high92.9Very high0 Ų022.2 Ų22.20%013%0.126CC..Hα-helixtrans-63.7-44.4176.5174.50000110.7V33 K43 L49 L50 A51 V57 S84 L250 E252V33-V47 HydrophobicContact CB-CG2 4.04Å; V33-V47 HydrophobicContact CG1-CG2 3.97Å; V33-V47 HydrophobicContact CG2-CG2 4.29Å; K43-V47 WeakPolarHBondContact O-CG2 3.4Å; K43-V47 PolarHBondContact O-N 3Å; V47-L49 VanDerWaalsContact C-N 3.33Å; V47-L49 PolarHBondContact O-N 3.35Å; V47-L50 CarbonylContact O-C 3.51Å; V47-L50 PolarHBondContact O-N 3.09Å; V47-A51 WeakPolarHBondContact O-CA 3.28Å; V47-A51 WeakPolarHBondContact O-CB 3.44Å; V47-A51 PolarHBondContact O-N 3.03Å; V47-V57 HydrophobicContact CG1-CG1 4.49Å; V47-S84 WeakPolarHBondContact CG1-OG 3.36Å; V47-L250 HydrophobicContact CG1-CD2 4.04Å; V47-E252 HydrophobicContact CG1-CB 4.24Å; V47-E252 HydrophobicContact CG1-CG 4.29Å; V47-E252 HydrophobicContact CG2-CB 4.2Å; V47-E252 HydrophobicContact CG2-CG 4.06Å
48D90.8Very high93.1Very high9 Ų922.2 Ų22.25%0.04813%0.126CC..Hα-helixtrans-59.3-43.5176.3-177.257.2000112G44 A51 V70 R449G44-D48 VanDerWaalsContact O-CB 3.28Å; G44-D48 WeakPolarHBondContact O-CB 3.4Å; G44-D48 PolarHBondContact O-N 3.37Å; D48-A51 PolarHBondContact O-N 3.47Å; D48-V70 HydrophobicContact CB-CG1 3.63Å; D48-V70 HydrophobicContact CB-CG2 4.35Å; D48-V70 VanDerWaalsContact CG-CG1 3.42Å; D48-V70 WeakPolarHBondContact OD1-CG1 3.12Å; D48-R449 IonicContact OD1-NH1 2.65Å; D48-R449 VanDerWaalsContact OD2-CD 3.31Å; D48-R449 WeakPolarHBondContact OD2-CD 3.46Å; D48-R449 IonicContact OD2-CZ 3.72Å; D48-R449 IonicContact OD2-NE 3.15Å; D48-R449 IonicContact OD2-NH1 3.96Å; D48-R449 PolarHBondContact OD2-NH1 3.13Å
49L91.6Very high93.3Very high38 Ų3821.7 Ų21.720%0.19912%0.124CC..Hα-helixtrans-61.1-46176.1-177.7126.1000112K45 V46 V47 W442K45-L49 PolarHBondContact O-N 2.98Å; V46-L49 PolarHBondContact O-N 3.48Å; V47-L49 VanDerWaalsContact C-N 3.33Å; V47-L49 PolarHBondContact O-N 3.35Å; L49-W442 HydrophobicContact CD2-CZ2 4.12Å
50L93.9Very high93.7Very high27 Ų2720.9 Ų20.914%0.14112%0.116CC..Hα-helixtrans-79.1-15.9179.9-66.5174.2000113.9T31 V33 V46 V47 Q52 L250 Y294 W442T31-L50 HydrophobicContact CG2-CD1 4.35Å; V33-L50 HydrophobicContact CG2-CD1 3.69Å; V46-L50 HydrophobicContact CG1-CD1 3.95Å; V46-L50 WeakPolarHBondContact O-CG 3.37Å; V46-L50 PolarHBondContact O-N 2.84Å; V47-L50 CarbonylContact O-C 3.51Å; V47-L50 PolarHBondContact O-N 3.09Å; L50-Q52 VanDerWaalsContact C-N 3.32Å; L50-L250 HydrophobicContact CB-CD1 4.08Å; L50-L250 HydrophobicContact CB-CD2 3.76Å; L50-L250 HydrophobicContact CD1-CD1 4.05Å; L50-Y294 HydrophobicContact CD1-CD2 3.94Å; L50-Y294 HydrophobicContact CD1-CE2 4.21Å; L50-W442 HydrophobicContact CD1-CH2 4.28Å; L50-W442 HydrophobicContact CD2-CH2 3.97Å; L50-W442 HydrophobicContact CD2-CZ2 3.92Å
51A94.2Very high94Very high1 Ų120.1 Ų20.11%0.00811%0.111CC..Hα-helixtrans-82.1-13.617900000112.1V47 D48 D53 A54 V57 N88 L250V47-A51 WeakPolarHBondContact O-CA 3.28Å; V47-A51 WeakPolarHBondContact O-CB 3.44Å; V47-A51 PolarHBondContact O-N 3.03Å; D48-A51 PolarHBondContact O-N 3.47Å; A51-D53 PolarHBondContact O-N 3.44Å; A51-A54 PolarHBondContact O-N 2.82Å; A51-V57 HydrophobicContact CB-CG2 4.12Å; A51-N88 PolarHBondContact O-ND2 2.91Å; A51-L250 HydrophobicContact CB-CD2 4.25Å
52Q92Very high94.1Very high111 Ų11120.1 Ų20.152%0.51911%0.111SC..SBendtrans-61.6-34.3179-66.2-166.8-13.700112.6L50 N88 R449L50-Q52 VanDerWaalsContact C-N 3.32Å; Q52-N88 PolarHBondContact O-ND2 2.87Å; Q52-N88 VanDerWaalsContact O-ND2 3.14Å; Q52-R449 VanDerWaalsContact NE2-NH1 3.12Å
53D92.7Very high94.4Very high81 Ų8118.6 Ų18.643%0.43310%0.095SC..SBendtrans-111.76.2-179.667.3-33.4000113.1A51 K248A51-D53 PolarHBondContact O-N 3.44Å; D53-K248 HydrophobicContact CB-CD 4.22Å; D53-K248 WeakPolarHBondContact O-CD 3.22Å; D53-K248 WeakPolarHBondContact OD2-CE 3.28Å; D53-K248 IonicContact OD2-NZ 2.7Å; D53-K248 PolarHBondContact OD2-NZ 2.96Å
54A97.6Very high94.5Very high7 Ų718.9 Ų18.96%0.05810%0.097CC..  trans-78.4144.717700000112.1A51 V57 V91 L250A51-A54 PolarHBondContact O-N 2.82Å; A54-V57 HydrophobicContact CB-CG2 3.83Å; A54-V91 HydrophobicContact CB-CG2 4.32Å; A54-V91 WeakPolarHBondContact O-CG2 3.38Å; A54-L250 HydrophobicContact CB-CB 4.26Å
55D98.5Very high94.6Very high69 Ų6919.7 Ų19.737%0.36910%0.101SC..SBendtrans-90.5-35.8169.5-60.9-74.6000111.1T92 K247 K248D55-T92 PolarHBondContact O-N 2.89Å; D55-K247 HydrophobicContact CB-CB 4.25Å; D55-K247 HydrophobicContact CB-CD 4.49Å; D55-K247 HydrophobicContact CB-CG 4.28Å; D55-K247 WeakPolarHBondContact OD2-CA 3.12Å; D55-K248 PolarHBondContact N-O 2.71Å; D55-K248 PolarHBondContact OD2-N 2.92Å
56I98.7Very high94.7Very high3 Ų318.3 Ų18.32%0.01510%0.095CC..EExtended strand (participates in β ladder)trans-134.7130.6-178.7-52.2177.6000109.4T92 F94 F237 A241 K247 K248 I249 L250I56-T92 VanDerWaalsContact CA-O 3.27Å; I56-T92 WeakPolarHBondContact CA-O 3.18Å; I56-F94 HydrophobicContact CG2-CB 4.16Å; I56-F237 HydrophobicContact CD1-CE1 4.45Å; I56-F237 HydrophobicContact CD1-CZ 3.96Å; I56-F237 HydrophobicContact CG2-CE1 4.49Å; I56-A241 HydrophobicContact CD1-CB 3.48Å; I56-A241 VanDerWaalsContact CD1-CB 3.48Å; I56-K247 HydrophobicContact CD1-CD 4.2Å; I56-K248 PolarHBondContact N-O 3.19Å; I56-I249 HydrophobicContact CB-CG1 4.41Å; I56-I249 HydrophobicContact CB-CG2 4.37Å; I56-I249 HydrophobicContact CD1-CG1 4.43Å; I56-I249 WeakPolarHBondContact O-CA 3.46Å; I56-L250 PolarHBondContact O-N 3.19Å
57V98.7Very high94.5Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-118.7120.9172.3-175.30000109.4V47 A51 A54 P83 V91 T92 A93 F94 L250V47-V57 HydrophobicContact CG1-CG1 4.49Å; A51-V57 HydrophobicContact CB-CG2 4.12Å; A54-V57 HydrophobicContact CB-CG2 3.83Å; V57-P83 HydrophobicContact CB-CB 4.34Å; V57-P83 HydrophobicContact CG1-CB 3.89Å; V57-V91 HydrophobicContact CB-CG1 3.86Å; V57-V91 HydrophobicContact CG2-CG1 3.57Å; V57-V91 HydrophobicContact CG2-CG2 4.09Å; V57-T92 PolarHBondContact N-O 3.45Å; V57-A93 WeakPolarHBondContact O-CA 3.19Å; V57-F94 PolarHBondContact O-N 3.46Å; V57-L250 CarbonylContact C-O 3.57Å; V57-L250 WeakPolarHBondContact CA-O 3.48Å; V57-L250 HydrophobicContact CG1-CD2 4.37Å; V57-L250 HydrophobicContact CG2-CB 4.21Å; V57-L250 HydrophobicContact CG2-CD2 4.26Å
58C98.7Very high94.3Very high0 Ų019.6 Ų19.60%011%0.107CC..EExtended strand (participates in β ladder)trans-109.9141.9-169.3-59.80000111.5F94 L250 V251 E252 L283C58-F94 CarbonylContact C-O 3.57Å; C58-F94 VanDerWaalsContact CA-O 3.24Å; C58-F94 WeakPolarHBondContact CA-O 3.43Å; C58-F94 HydrophobicContact CB-CD1 4.34Å; C58-L250 PolarHBondContact N-O 3.44Å; C58-V251 HydrophobicContact CB-CG2 3.99Å; C58-V251 WeakPolarHBondContact O-CA 3.31Å; C58-E252 PolarHBondContact O-N 3.29Å; C58-L283 HydrophobicContact CB-CD1 4.15Å; C58-L283 HydrophobicContact CB-CD2 4.05Å
59R97.9Very high94.1Very high0 Ų021.3 Ų21.30%012%0.118CC..EExtended strand (participates in β ladder)trans-113.8128.9164.9-160.3173.1-167.3139.73.3108.9H80 L81 L82 P83 F94 G96 V99R59-H80 PolarHBondContact NH1-O 3.01Å; R59-H80 PolarHBondContact NH2-O 2.8Å; R59-L81 WeakPolarHBondContact CD-O 3.42Å; R59-L82 PolarHBondContact NH1-O 3.01Å; R59-P83 HydrophobicContact CB-CG 4.1Å; R59-F94 PolarHBondContact N-O 3.06Å; R59-G96 PolarHBondContact O-N 3.33Å; R59-V99 HydrophobicContact CB-CG2 4.26Å; R59-V99 HydrophobicContact CG-CG2 4.15Å; R59-V99 WeakPolarHBondContact O-CG2 3.32Å
60C96.8Very high93.9Very high0 Ų019.7 Ų19.70%011%0.109CC..  trans-114.1-14.3-166.8660000115.4G98 V251 G282 L283C60-G98 CarbonylContact O-C 3.5Å; C60-G98 WeakPolarHBondContact O-CA 3.18Å; C60-V251 HydrophobicContact CB-CG1 4.34Å; C60-G282 VanDerWaalsContact O-CA 3.22Å; C60-G282 WeakPolarHBondContact O-CA 3.47Å; C60-L283 HydrophobicContact CB-CD1 4.13Å; C60-L283 HydrophobicContact CB-CD2 3.61Å; C60-L283 HydrophobicContact CB-CG 3.53Å
61Q95.3Very high93.5Very high4 Ų421.5 Ų21.52%0.01912%0.121CC..SBendtrans-154.9173.8-173.578.7-74.751.500112.1A254 N273Q61-A254 HydrophobicContact CG-CB 4.45Å; Q61-A254 VanDerWaalsContact O-CB 3.3Å; Q61-A254 WeakPolarHBondContact O-CB 3.41Å; Q61-N273 WeakPolarHBondContact CB-O 3.41Å; Q61-N273 WeakPolarHBondContact CG-O 3.36Å
62G94.9Very high92.9Very high0 Ų022.6 Ų22.60%013%0.128CC..  trans73.3-156.1177.100000112V99 V100 Y170G62-V99 WeakPolarHBondContact O-CA 3.45Å; G62-V100 PolarHBondContact O-N 3.26Å; G62-Y170 PolarHBondContact N-OH 3.31Å
63G95.8Very high92.5Very high0 Ų024.1 Ų24.10%014%0.139CC..  trans-159.7-148.8174.100000109.5N65 A66 V100G63-N65 PolarHBondContact N-OD1 3.25Å; G63-N65 PolarHBondContact O-N 3.4Å; G63-N65 PolarHBondContact O-OD1 3.05Å; G63-A66 PolarHBondContact O-N 3.09Å; G63-V100 WeakPolarHBondContact CA-O 3.29Å
64N93.1Very high92Very high9 Ų926 Ų265%0.04816%0.159CC..THydrogen-bonded Turntrans-73.615.217961.6-14.5000114.8H80 L81 K164N64-H80 HydrophobicContact CB-CB 4.01Å; N64-L81 HydrophobicContact CB-CD1 4.18Å; N64-L81 HydrophobicContact CB-CD2 4.29Å; N64-L81 HydrophobicContact CB-CG 3.92Å; N64-K164 WeakPolarHBondContact OD1-CB 3.4Å
65N92.2Very high91.6Very high21 Ų2127.7 Ų27.711%0.11217%0.169CC..THydrogen-bonded Turntrans-83.9-18.217063.1-54.8000113.3G63 T162 I166 T270G63-N65 PolarHBondContact N-OD1 3.25Å; G63-N65 PolarHBondContact O-N 3.4Å; G63-N65 PolarHBondContact O-OD1 3.05Å; N65-T162 HydrophobicContact CB-CG2 3.92Å; N65-T162 WeakPolarHBondContact CB-OG1 3.02Å; N65-I166 HydrophobicContact CB-CD1 4.25Å; N65-I166 HydrophobicContact CB-CG1 3.68Å; N65-T270 PolarHBondContact ND2-OG1 3.5Å
66A89Confident91.2Very high4 Ų429.6 Ų29.63%0.03318%0.175CC..  trans-92.1145.817000000110G63 H80 A254G63-A66 PolarHBondContact O-N 3.09Å; A66-H80 WeakPolarHBondContact O-CA 3.25Å; A66-H80 PolarHBondContact O-CD2 3.14Å; A66-A254 HydrophobicContact CB-CB 3.79Å; A66-A254 WeakPolarHBondContact CB-O 3.49Å
67G88.8Confident90.9Very high20 Ų2029.9 Ų29.921%0.20618%0.176CC..  trans-136.2125.7176.500000110.4F79G67-F79 CarbonylContact C-O 3.35Å; G67-F79 WeakPolarHBondContact CA-O 3.17Å
68H88.8Confident90.5Very high8 Ų831.7 Ų31.74%0.03719%0.186CC..EExtended strand (participates in β ladder)trans-121.6126176.6-63.6162.4000110.3K43 F79 E252 G253 A254K43-H68 WeakPolarHBondContact CE-NE2 3.47Å; K43-H68 PolarHBondContact NZ-NE2 2.88Å; H68-F79 PolarHBondContact N-O 2.91Å; H68-F79 PolarHBondContact O-N 3.49Å; H68-E252 IonicContact CE1-OE1 3.46Å; H68-E252 PolarHBondContact CE1-OE1 3.06Å; H68-E252 IonicContact CG-OE1 2.98Å; H68-E252 IonicContact ND1-OE1 3.68Å; H68-E252 PolarHBondContact ND1-OE1 2.98Å; H68-G253 PolarHBondContact CE1-O 3.39Å; H68-A254 PolarHBondContact NE2-O 3.47Å
69T87.4Confident90.3Very high44 Ų4431.7 Ų31.727%0.2719%0.186SC..EExtended strand (participates in β ladder)trans-101.9132.7178.7-560000109.6E76 Y77 D78T69-E76 HydrophobicContact CG2-CG 3.29Å; T69-E76 WeakPolarHBondContact CG2-OE1 3.44Å; T69-Y77 WeakPolarHBondContact CA-O 3.4Å; T69-D78 PolarHBondContact OG1-OD1 3.41Å
70V87.4Confident90.2Very high4 Ų433.6 Ų33.62%0.02420%0.195CC..EExtended strand (participates in β ladder)trans-128.2138.4176.4178.70000109D48 V72 Y77 F79D48-V70 HydrophobicContact CB-CG1 3.63Å; D48-V70 HydrophobicContact CB-CG2 4.35Å; D48-V70 VanDerWaalsContact CG-CG1 3.42Å; D48-V70 WeakPolarHBondContact OD1-CG1 3.12Å; V70-V72 HydrophobicContact CG1-CG2 3.98Å; V70-Y77 PolarHBondContact N-O 2.9Å; V70-Y77 PolarHBondContact O-N 3.25Å; V70-F79 HydrophobicContact CB-CE2 4.23Å; V70-F79 HydrophobicContact CG2-CD2 4.35Å; V70-F79 HydrophobicContact CG2-CE2 4.34Å
71V84.8Confident90.2Very high65 Ų6533.6 Ų33.639%0.39420%0.195SC..EExtended strand (participates in β ladder)trans-114.6116.6179.7-176.50000109.5V75 E76V71-V75 WeakPolarHBondContact CA-O 3.46Å; V71-E76 HydrophobicContact CG2-CB 4.36Å; V71-E76 HydrophobicContact CG2-CG 4.22Å
72V82.8Confident90.3Very high24 Ų2433.4 Ų33.415%0.14519%0.194CC..EExtended strand (participates in β ladder)trans-127.6129.2177.6-179.80000108.8V70 S74 V75 Y77 I87V70-V72 HydrophobicContact CG1-CG2 3.98Å; V72-S74 PolarHBondContact O-N 3.1Å; V72-S74 VanDerWaalsContact O-N 3.17Å; V72-V75 PolarHBondContact N-O 3.04Å; V72-V75 WeakPolarHBondContact O-CA 3.4Å; V72-V75 WeakPolarHBondContact O-CB 3.41Å; V72-V75 PolarHBondContact O-N 3.36Å; V72-Y77 HydrophobicContact CB-CE2 4.39Å; V72-I87 HydrophobicContact CB-CD1 3.84Å; V72-I87 HydrophobicContact CG2-CD1 3.42Å; V72-I87 VanDerWaalsContact CG2-CD1 3.42Å; V72-I87 HydrophobicContact CG2-CG1 4.14Å; V72-I87 HydrophobicContact CG2-CG2 4.47Å
73D82.1Confident90.4Very high143 Ų14333.4 Ų33.477%0.76519%0.194SC*.THydrogen-bonded Turntrans5040.7-179.5-55.7-31.3000113.5V75D73-V75 PolarHBondContact O-N 3.16Å
74S83.5Confident90.3Very high122 Ų12233.4 Ų33.485%0.85319%0.194SC*.THydrogen-bonded Turntrans66.68-175.4-45.80000115.8V72V72-S74 PolarHBondContact O-N 3.1Å; V72-S74 VanDerWaalsContact O-N 3.17Å
75V89.1Confident90.4Very high41 Ų4133 Ų3325%0.24819%0.192CC..EExtended strand (participates in β ladder)trans-99.3130.1173.7-1760000109.9V71 V72 D73 Y77 K116V71-V75 WeakPolarHBondContact CA-O 3.46Å; V72-V75 PolarHBondContact N-O 3.04Å; V72-V75 WeakPolarHBondContact O-CA 3.4Å; V72-V75 WeakPolarHBondContact O-CB 3.41Å; V72-V75 PolarHBondContact O-N 3.36Å; D73-V75 PolarHBondContact O-N 3.16Å; V75-Y77 HydrophobicContact CB-CD2 4.44Å; V75-Y77 HydrophobicContact CB-CE2 3.66Å; V75-Y77 HydrophobicContact CG1-CD2 4.11Å; V75-Y77 HydrophobicContact CG1-CE1 4.17Å; V75-Y77 HydrophobicContact CG1-CE2 3.48Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.48Å; V75-Y77 WeakPolarHBondContact O-CD2 3.29Å; V75-K116 HydrophobicContact CG1-CB 3.84Å; V75-K116 WeakPolarHBondContact CG1-O 3.42Å
76E89.4Confident90.5Very high110 Ų11032 Ų3251%0.51419%0.186SC..EExtended strand (participates in β ladder)trans-98.9112.8-177.8-174172.3137.300111.6T69 V71 K116T69-E76 HydrophobicContact CG2-CG 3.29Å; T69-E76 WeakPolarHBondContact CG2-OE1 3.44Å; V71-E76 HydrophobicContact CG2-CB 4.36Å; V71-E76 HydrophobicContact CG2-CG 4.22Å; E76-K116 WeakPolarHBondContact O-CD 3.47Å; E76-K116 PolarHBondContact O-NZ 2.93Å
77Y91.5Very high90.8Very high8 Ų832.5 Ų32.53%0.03119%0.188CC..EExtended strand (participates in β ladder)trans-103.7140.3179.5-60.2-94.4000110.7T69 V70 V72 V75 F79 I87 N113 K116 G117 G119 L120T69-Y77 WeakPolarHBondContact CA-O 3.4Å; V70-Y77 PolarHBondContact N-O 2.9Å; V70-Y77 PolarHBondContact O-N 3.25Å; V72-Y77 HydrophobicContact CB-CE2 4.39Å; V75-Y77 HydrophobicContact CB-CD2 4.44Å; V75-Y77 HydrophobicContact CB-CE2 3.66Å; V75-Y77 HydrophobicContact CG1-CD2 4.11Å; V75-Y77 HydrophobicContact CG1-CE1 4.17Å; V75-Y77 HydrophobicContact CG1-CE2 3.48Å; V75-Y77 VanDerWaalsContact CG1-CE2 3.48Å; V75-Y77 WeakPolarHBondContact O-CD2 3.29Å; Y77-F79 HydrophobicContact CG-CZ 4.46Å; Y77-I87 HydrophobicContact CD1-CD1 4.4Å; Y77-I87 HydrophobicContact CD2-CD1 3.27Å; Y77-I87 HydrophobicContact CE2-CD1 3.42Å; Y77-I87 VanDerWaalsContact CE2-CD1 3.42Å; Y77-I87 HydrophobicContact CG-CD1 3.79Å; Y77-N113 HydrophobicContact CD1-CB 4.06Å; Y77-N113 WeakPolarHBondContact CE1-O 3.48Å; Y77-K116 HydrophobicContact CE1-CB 4.4Å; Y77-G117 WeakPolarHBondContact OH-CA 3.5Å; Y77-G119 PolarHBondContact OH-N 3.36Å; Y77-L120 HydrophobicContact CD1-CD1 3.67Å; Y77-L120 HydrophobicContact CE1-CD1 3.85Å
78D91.5Very high90.9Very high38 Ų3832.7 Ų32.720%0.20319%0.185CC..EExtended strand (participates in β ladder)trans-120.5114.2-176.7-62.6-62.1000110.6T69 N113 K116T69-D78 PolarHBondContact OG1-OD1 3.41Å; D78-N113 PolarHBondContact N-OD1 3.42Å; D78-N113 PolarHBondContact O-ND2 2.91Å; D78-K116 IonicContact OD2-NZ 3.33Å; D78-K116 PolarHBondContact OD2-NZ 3.42Å
79F94.3Very high91.1Very high0 Ų036.5 Ų36.50%021%0.21CC..EExtended strand (participates in β ladder)trans-108.7134.8-174-61.9-77.6000111.6G67 H68 V70 Y77 L82 I86 I87 E109 L120G67-F79 CarbonylContact C-O 3.35Å; G67-F79 WeakPolarHBondContact CA-O 3.17Å; H68-F79 PolarHBondContact N-O 2.91Å; H68-F79 PolarHBondContact O-N 3.49Å; V70-F79 HydrophobicContact CB-CE2 4.23Å; V70-F79 HydrophobicContact CG2-CD2 4.35Å; V70-F79 HydrophobicContact CG2-CE2 4.34Å; Y77-F79 HydrophobicContact CG-CZ 4.46Å; F79-L82 HydrophobicContact CD1-CB 3.97Å; F79-I86 HydrophobicContact CD1-CG2 4.48Å; F79-I86 HydrophobicContact CE1-CG2 3.73Å; F79-I86 HydrophobicContact CZ-CG2 4.31Å; F79-I87 HydrophobicContact CZ-CB 4.4Å; F79-E109 WeakPolarHBondContact CA-OE1 3.3Å; F79-L120 HydrophobicContact CE1-CD1 4.22Å; F79-L120 HydrophobicContact CE1-CD2 4.38Å; F79-L120 HydrophobicContact CZ-CD1 4.25Å
80H95.2Very high91.5Very high40 Ų4040.8 Ų40.819%0.18523%0.232CC..SBendtrans-126.8-41.7-177.8-68.985.5000112.9R59 N64 A66 E109 T331R59-H80 PolarHBondContact NH1-O 3.01Å; R59-H80 PolarHBondContact NH2-O 2.8Å; N64-H80 HydrophobicContact CB-CB 4.01Å; A66-H80 WeakPolarHBondContact O-CA 3.25Å; A66-H80 PolarHBondContact O-CD2 3.14Å; H80-E109 WeakPolarHBondContact CB-OE2 3.2Å; H80-E109 PolarHBondContact N-OE1 3.34Å; H80-E109 PolarHBondContact N-OE2 3.48Å; H80-T331 PolarHBondContact NE2-OG1 2.8Å
81L97.4Very high91.9Very high0 Ų040.6 Ų40.60%023%0.23CC..SBendtrans-116.7-40.6174.2-71.8168000111R59 N64 I95 V99 I101 L106 E109R59-L81 WeakPolarHBondContact CD-O 3.42Å; N64-L81 HydrophobicContact CB-CD1 4.18Å; N64-L81 HydrophobicContact CB-CD2 4.29Å; N64-L81 HydrophobicContact CB-CG 3.92Å; L81-I95 WeakPolarHBondContact O-CD1 3.37Å; L81-V99 HydrophobicContact CD2-CG1 4.15Å; L81-I101 HydrophobicContact CD1-CG2 4.29Å; L81-L106 HydrophobicContact CB-CD1 3.8Å; L81-L106 HydrophobicContact CD1-CB 3.84Å; L81-L106 HydrophobicContact CD1-CD1 4.4Å; L81-E109 WeakPolarHBondContact CB-OE2 3.41Å; L81-E109 PolarHBondContact N-OE1 3.36Å; L81-E109 PolarHBondContact N-OE2 2.75Å
82L97.2Very high92.6Very high0 Ų039.6 Ų39.60%022%0.224CC..SBendtrans-64.4135.5176.5-65.5173.9000109.2R59 F79 S84 I86 L106 E109 A110 L120 W123 L127R59-L82 PolarHBondContact NH1-O 3.01Å; F79-L82 HydrophobicContact CD1-CB 3.97Å; L82-S84 PolarHBondContact O-N 3.47Å; L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CD1 4.16Å; L82-L106 HydrophobicContact CD2-CD1 3.68Å; L82-L106 HydrophobicContact CG-CD1 3.91Å; L82-E109 WeakPolarHBondContact CB-OE1 3.45Å; L82-E109 PolarHBondContact N-OE1 3.4Å; L82-A110 HydrophobicContact CD1-CB 4.12Å; L82-L120 HydrophobicContact CD1-CD2 3.79Å; L82-W123 HydrophobicContact CD2-CE3 4.01Å; L82-W123 HydrophobicContact CD2-CZ3 4.01Å; L82-L127 HydrophobicContact CD2-CD1 4.09Å; L82-L127 HydrophobicContact CD2-CD2 3.74Å; L82-L127 HydrophobicContact CD2-CG 4.48Å
83P97Very high93.3Very high0 Ų038.5 Ų38.50%022%0.218CC..  trans-59.2129.2165.2-17.828.9000109.3V57 R59 G85 I86 A93 I95 E252V57-P83 HydrophobicContact CB-CB 4.34Å; V57-P83 HydrophobicContact CG1-CB 3.89Å; R59-P83 HydrophobicContact CB-CG 4.1Å; P83-G85 PolarHBondContact O-N 3.35Å; P83-G85 VanDerWaalsContact O-N 3.15Å; P83-I86 VanDerWaalsContact O-CB 3.3Å; P83-I86 WeakPolarHBondContact O-CB 3.47Å; P83-I86 WeakPolarHBondContact O-CG2 3.46Å; P83-I86 PolarHBondContact O-N 3.46Å; P83-A93 HydrophobicContact CB-CB 4.43Å; P83-A93 HydrophobicContact CG-CB 3.96Å; P83-I95 HydrophobicContact CG-CG1 4.4Å; P83-E252 VanDerWaalsContact CA-OE2 3.28Å; P83-E252 WeakPolarHBondContact CA-OE2 3.5Å
84S94.8Very high94.1Very high0 Ų031.7 Ų31.70%018%0.181CC..G310 helixtrans-63.5-25.9-173.5730000112.7V47 L82 I86 I87 E252V47-S84 WeakPolarHBondContact CG1-OG 3.36Å; L82-S84 PolarHBondContact O-N 3.47Å; S84-I86 PolarHBondContact O-N 3.16Å; S84-I86 VanDerWaalsContact O-N 3.11Å; S84-I87 WeakPolarHBondContact O-CG2 3.44Å; S84-I87 PolarHBondContact O-N 2.96Å; S84-E252 PolarHBondContact N-OE2 3.33Å; S84-E252 PolarHBondContact OG-OE2 3.26Å
85G94.2Very high94.8Very high0 Ų025.9 Ų25.90%014%0.141CC..G310 helixtrans-62.5-12.1174.400000114.8P83 I87 N88 V91P83-G85 PolarHBondContact O-N 3.35Å; P83-G85 VanDerWaalsContact O-N 3.15Å; G85-I87 PolarHBondContact O-N 2.96Å; G85-N88 PolarHBondContact O-N 2.87Å; G85-V91 WeakPolarHBondContact O-CB 3.48Å
86I95.4Very high95.3Very high0 Ų024 Ų240%013%0.129CC..G310 helixtrans-59.1-18.3173.9-157.8170000112.9F79 L82 P83 S84 N88 A93 W123 R126 L127F79-I86 HydrophobicContact CD1-CG2 4.48Å; F79-I86 HydrophobicContact CE1-CG2 3.73Å; F79-I86 HydrophobicContact CZ-CG2 4.31Å; L82-I86 HydrophobicContact CB-CG2 4.41Å; L82-I86 HydrophobicContact CD2-CD1 4.16Å; P83-I86 VanDerWaalsContact O-CB 3.3Å; P83-I86 WeakPolarHBondContact O-CB 3.47Å; P83-I86 WeakPolarHBondContact O-CG2 3.46Å; P83-I86 PolarHBondContact O-N 3.46Å; S84-I86 PolarHBondContact O-N 3.16Å; S84-I86 VanDerWaalsContact O-N 3.11Å; I86-N88 PolarHBondContact O-N 3.39Å; I86-A93 HydrophobicContact CB-CB 3.92Å; I86-A93 HydrophobicContact CD1-CB 3.62Å; I86-A93 HydrophobicContact CG1-CB 3.74Å; I86-W123 HydrophobicContact CD1-CB 3.83Å; I86-W123 HydrophobicContact CD1-CE3 4.35Å; I86-W123 HydrophobicContact CG1-CB 4.36Å; I86-R126 VanDerWaalsContact O-CZ 3.3Å; I86-R126 PolarHBondContact O-NH1 3.26Å; I86-R126 PolarHBondContact O-NH2 2.85Å; I86-L127 HydrophobicContact CD1-CB 4.49Å
87I93.3Very high95.7Very high15 Ų1520 Ų208%0.07711%0.112CC..G310 helixtrans-61.2-28174.2-162.7156.2000113V72 Y77 F79 S84 G85 P89 G119V72-I87 HydrophobicContact CB-CD1 3.84Å; V72-I87 HydrophobicContact CG2-CD1 3.42Å; V72-I87 VanDerWaalsContact CG2-CD1 3.42Å; V72-I87 HydrophobicContact CG2-CG1 4.14Å; V72-I87 HydrophobicContact CG2-CG2 4.47Å; Y77-I87 HydrophobicContact CD1-CD1 4.4Å; Y77-I87 HydrophobicContact CD2-CD1 3.27Å; Y77-I87 HydrophobicContact CE2-CD1 3.42Å; Y77-I87 VanDerWaalsContact CE2-CD1 3.42Å; Y77-I87 HydrophobicContact CG-CD1 3.79Å; F79-I87 HydrophobicContact CZ-CB 4.4Å; S84-I87 WeakPolarHBondContact O-CG2 3.44Å; S84-I87 PolarHBondContact O-N 2.96Å; G85-I87 PolarHBondContact O-N 2.96Å; I87-P89 WeakPolarHBondContact O-CD 3.43Å; I87-G119 WeakPolarHBondContact CA-O 3.49Å
88N92.8Very high96Very high25 Ų2519.9 Ų19.913%0.13411%0.113CC..SBendtrans-75118.6170.5-178.6-9.6000108.4A51 Q52 G85 I86 N90 V91 R126A51-N88 PolarHBondContact O-ND2 2.91Å; Q52-N88 PolarHBondContact O-ND2 2.87Å; Q52-N88 VanDerWaalsContact O-ND2 3.14Å; G85-N88 PolarHBondContact O-N 2.87Å; I86-N88 PolarHBondContact O-N 3.39Å; N88-N90 PolarHBondContact O-N 3.37Å; N88-N90 VanDerWaalsContact O-N 3.1Å; N88-N90 PolarHBondContact OD1-N 3.27Å; N88-N90 VanDerWaalsContact OD1-N 3.09Å; N88-V91 HydrophobicContact CB-CB 4.15Å; N88-V91 HydrophobicContact CB-CG2 3.71Å; N88-V91 PolarHBondContact O-N 3.32Å; N88-R126 PolarHBondContact O-NH1 3.5Å
89P92.8Very high96.3Very high88 Ų8818.1 Ų18.157%0.57110%0.103SC*.THydrogen-bonded Turntrans-63.5-19.2-176.526.1-35.5000113.6I87 R126I87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-R126 WeakPolarHBondContact O-CD 3.49Å
90N94.2Very high96.6Very high134 Ų13418.1 Ų18.172%0.71710%0.103SC*.THydrogen-bonded Turntrans-87.3-12.1178.8-60-43000113.3N88N88-N90 PolarHBondContact O-N 3.37Å; N88-N90 VanDerWaalsContact O-N 3.1Å; N88-N90 PolarHBondContact OD1-N 3.27Å; N88-N90 VanDerWaalsContact OD1-N 3.09Å
91V97Very high96.7Very high0 Ų016.2 Ų16.20%09%0.094CC..PPolyproline II helixtrans-81.3134.6-178.5162.90000110.8A54 V57 G85 N88 R126A54-V91 HydrophobicContact CB-CG2 4.32Å; A54-V91 WeakPolarHBondContact O-CG2 3.38Å; V57-V91 HydrophobicContact CB-CG1 3.86Å; V57-V91 HydrophobicContact CG2-CG1 3.57Å; V57-V91 HydrophobicContact CG2-CG2 4.09Å; G85-V91 WeakPolarHBondContact O-CB 3.48Å; N88-V91 HydrophobicContact CB-CB 4.15Å; N88-V91 HydrophobicContact CB-CG2 3.71Å; N88-V91 PolarHBondContact O-N 3.32Å; V91-R126 PolarHBondContact O-NH1 3.08Å
92T98.4Very high96.8Very high44 Ų4416.9 Ų16.927%0.2710%0.097SC..EExtended strand (participates in β ladder)trans-85.7120.6159.4-58.50000109.2D55 I56 V57 R126 I128 F237D55-T92 PolarHBondContact O-N 2.89Å; I56-T92 VanDerWaalsContact CA-O 3.27Å; I56-T92 WeakPolarHBondContact CA-O 3.18Å; V57-T92 PolarHBondContact N-O 3.45Å; T92-R126 CarbonylContact C-O 3.37Å; T92-R126 WeakPolarHBondContact CA-O 3.22Å; T92-R126 WeakPolarHBondContact CG2-O 3.26Å; T92-I128 HydrophobicContact CG2-CD1 3.67Å; T92-I128 HydrophobicContact CG2-CG1 4.15Å; T92-F237 HydrophobicContact CG2-CZ 4.08Å
93A98.5Very high96.8Very high0 Ų016.9 Ų16.90%010%0.097CC..EExtended strand (participates in β ladder)trans-86.9133.8175.700000110V57 P83 I86 R126 L127 I128V57-A93 WeakPolarHBondContact O-CA 3.19Å; P83-A93 HydrophobicContact CB-CB 4.43Å; P83-A93 HydrophobicContact CG-CB 3.96Å; I86-A93 HydrophobicContact CB-CB 3.92Å; I86-A93 HydrophobicContact CD1-CB 3.62Å; I86-A93 HydrophobicContact CG1-CB 3.74Å; A93-R126 PolarHBondContact N-O 2.96Å; A93-L127 HydrophobicContact CB-CD1 3.8Å; A93-L127 CarbonylContact O-C 3.59Å; A93-L127 WeakPolarHBondContact O-CA 3.45Å; A93-I128 PolarHBondContact O-N 3.32Å
94F98.8Very high96.9Very high1 Ų117.7 Ų17.70%0.00410%0.103CC..EExtended strand (participates in β ladder)trans-124.9125178.2179.2-127.4000112I56 V57 C58 R59 I128 F237 L238 L283I56-F94 HydrophobicContact CG2-CB 4.16Å; V57-F94 PolarHBondContact O-N 3.46Å; C58-F94 CarbonylContact C-O 3.57Å; C58-F94 VanDerWaalsContact CA-O 3.24Å; C58-F94 WeakPolarHBondContact CA-O 3.43Å; C58-F94 HydrophobicContact CB-CD1 4.34Å; R59-F94 PolarHBondContact N-O 3.06Å; F94-I128 CarbonylContact C-O 3.48Å; F94-I128 WeakPolarHBondContact CA-O 3.42Å; F94-I128 HydrophobicContact CD2-CB 4.05Å; F94-I128 HydrophobicContact CD2-CG2 3.77Å; F94-I128 WeakPolarHBondContact CD2-O 3.37Å; F94-I128 HydrophobicContact CE2-CG2 4.07Å; F94-F237 HydrophobicContact CB-CE1 4.02Å; F94-F237 HydrophobicContact CD1-CD1 4.4Å; F94-F237 HydrophobicContact CD1-CE1 4.31Å; F94-F237 AromaticContact CD2-CD1 3.86Å; F94-F237 HydrophobicContact CD2-CD1 3.86Å; F94-F237 AromaticContact CD2-CE1 3.93Å; F94-F237 HydrophobicContact CD2-CE1 3.93Å; F94-F237 HydrophobicContact CE1-CD1 4.5Å; F94-F237 AromaticContact CE2-CD1 3.98Å; F94-F237 HydrophobicContact CE2-CD1 3.98Å; F94-F237 HydrophobicContact CG-CD1 4.09Å; F94-F237 AromaticContact CG-CE1 3.83Å; F94-F237 HydrophobicContact CG-CE1 3.83Å; F94-F237 HydrophobicContact CZ-CD1 4.3Å; F94-L238 HydrophobicContact CE1-CB 4.42Å; F94-L283 HydrophobicContact CD1-CD2 4.13Å; F94-L283 HydrophobicContact CE1-CD2 3.94Å
95I98.8Very high97Very high0 Ų018.2 Ų18.20%011%0.108CC..EExtended strand (participates in β ladder)trans-102.2111.7171.4-63.9175.8000108.5L81 P83 V99 I101 L106 L127 I128 I129 S130L81-I95 WeakPolarHBondContact O-CD1 3.37Å; P83-I95 HydrophobicContact CG-CG1 4.4Å; I95-V99 HydrophobicContact CG2-CB 3.57Å; I95-V99 HydrophobicContact CG2-CG1 3.72Å; I95-V99 HydrophobicContact CG2-CG2 3.85Å; I95-I101 HydrophobicContact CG2-CD1 3.64Å; I95-I101 HydrophobicContact CG2-CG1 4.1Å; I95-L106 HydrophobicContact CD1-CD1 4.37Å; I95-L127 HydrophobicContact CD1-CD1 3.97Å; I95-L127 HydrophobicContact CD1-CD2 4.37Å; I95-L127 HydrophobicContact CG1-CD1 4.03Å; I95-I128 PolarHBondContact N-O 3.46Å; I95-I129 HydrophobicContact CB-CG1 4.36Å; I95-I129 HydrophobicContact CD1-CG1 4.42Å; I95-S130 PolarHBondContact O-N 3.37Å
96G98.6Very high97.1Very high0 Ų018.2 Ų18.20%011%0.108CC..  trans-75.8169.9-176.900000114.8R59 G98 V99 G282R59-G96 PolarHBondContact O-N 3.33Å; G96-G98 PolarHBondContact O-N 2.88Å; G96-V99 PolarHBondContact O-N 2.87Å; G96-V99 VanDerWaalsContact O-N 3.08Å; G96-G282 CarbonylContact C-O 3.53Å; G96-G282 WeakPolarHBondContact CA-O 3.15Å
97N98.2Very high97.2Very high28 Ų2819.8 Ų19.815%0.1512%0.115CC..THydrogen-bonded Turntrans-67.2-17.9-177.764.3-84.9000114.2V99 R132 T281 G282N97-V99 VanDerWaalsContact C-N 3.29Å; N97-R132 HydrophobicContact CB-CB 3.64Å; N97-T281 PolarHBondContact ND2-O 3.15Å; N97-G282 PolarHBondContact N-O 3.27Å; N97-G282 VanDerWaalsContact OD1-C 3.29Å; N97-G282 PolarHBondContact OD1-O 2.87Å
98G97.7Very high97.4Very high5 Ų523.5 Ų23.55%0.05213%0.132CC..THydrogen-bonded Turntrans-77.7-13.6173.900000113.2C60 G96 Y170 G282C60-G98 CarbonylContact O-C 3.5Å; C60-G98 WeakPolarHBondContact O-CA 3.18Å; G96-G98 PolarHBondContact O-N 2.88Å; G98-Y170 PolarHBondContact O-OH 2.87Å; G98-G282 PolarHBondContact N-O 2.8Å
99V98.7Very high97.5Very high0 Ų022.9 Ų22.90%013%0.128CC..  trans-81.7143.7176.7-175.60000110.7R59 G62 L81 I95 G96 N97 I101 H134R59-V99 HydrophobicContact CB-CG2 4.26Å; R59-V99 HydrophobicContact CG-CG2 4.15Å; R59-V99 WeakPolarHBondContact O-CG2 3.32Å; G62-V99 WeakPolarHBondContact O-CA 3.45Å; L81-V99 HydrophobicContact CD2-CG1 4.15Å; I95-V99 HydrophobicContact CG2-CB 3.57Å; I95-V99 HydrophobicContact CG2-CG1 3.72Å; I95-V99 HydrophobicContact CG2-CG2 3.85Å; G96-V99 PolarHBondContact O-N 2.87Å; G96-V99 VanDerWaalsContact O-N 3.08Å; N97-V99 VanDerWaalsContact C-N 3.29Å; V99-I101 HydrophobicContact CG1-CG1 4.05Å; V99-H134 PolarHBondContact O-N 2.83Å
100V98.7Very high97.7Very high1 Ų118.7 Ų18.71%0.00610%0.101CC..EExtended strand (participates in β ladder)trans-107.1127.3169.9-54.50000109.3G62 G63 H134 V136 I166 V169 Y170G62-V100 PolarHBondContact O-N 3.26Å; G63-V100 WeakPolarHBondContact CA-O 3.29Å; V100-H134 CarbonylContact C-O 3.25Å; V100-H134 WeakPolarHBondContact CA-O 3.39Å; V100-H134 HydrophobicContact CG1-CB 4.17Å; V100-V136 HydrophobicContact CB-CG2 3.81Å; V100-V136 HydrophobicContact CG2-CG2 3.79Å; V100-I166 HydrophobicContact CG2-CD1 3.75Å; V100-V169 HydrophobicContact CB-CG1 3.67Å; V100-V169 HydrophobicContact CB-CG2 4.29Å; V100-V169 HydrophobicContact CG1-CG1 3.81Å; V100-V169 HydrophobicContact CG1-CG2 4.32Å; V100-V169 HydrophobicContact CG2-CG1 3.57Å; V100-Y170 HydrophobicContact CB-CE2 4.14Å; V100-Y170 HydrophobicContact CG1-CD2 3.69Å; V100-Y170 HydrophobicContact CG1-CE1 4.43Å; V100-Y170 HydrophobicContact CG1-CE2 3.33Å; V100-Y170 HydrophobicContact CG1-CG 4.38Å; V100-Y170 HydrophobicContact CG2-CD2 4.1Å; V100-Y170 HydrophobicContact CG2-CE2 3.64Å
101I98.7Very high97.8Very high0 Ų018 Ų180%09%0.093CC..EExtended strand (participates in β ladder)trans-117.2116.9-163.6-56.4171.1000109.7L81 I95 V99 L103 L106 I129 A133 H134 I135 V136 M181L81-I101 HydrophobicContact CD1-CG2 4.29Å; I95-I101 HydrophobicContact CG2-CD1 3.64Å; I95-I101 HydrophobicContact CG2-CG1 4.1Å; V99-I101 HydrophobicContact CG1-CG1 4.05Å; I101-L103 HydrophobicContact CG2-CD2 4.27Å; I101-L106 HydrophobicContact CG2-CB 4.45Å; I101-L106 HydrophobicContact CG2-CD2 4.21Å; I101-I129 HydrophobicContact CD1-CG2 3.5Å; I101-A133 HydrophobicContact CD1-CB 3.68Å; I101-A133 HydrophobicContact CG1-CB 4.4Å; I101-H134 PolarHBondContact N-O 2.84Å; I101-I135 WeakPolarHBondContact O-CA 3.44Å; I101-V136 PolarHBondContact O-N 3.13Å; I101-M181 HydrophobicContact CB-CE 3.59Å; I101-M181 HydrophobicContact CD1-CE 3.71Å; I101-M181 HydrophobicContact CG1-CE 4.21Å; I101-M181 HydrophobicContact CG2-CE 3.71Å
102H98.5Very high97.7Very high13 Ų1323.8 Ų23.86%0.0612%0.119CC..EExtended strand (participates in β ladder)trans-85109165-176.5-125.1000108.2G105 L106 V136 D138 Q141H102-G105 WeakPolarHBondContact ND1-CA 3.2Å; H102-G105 PolarHBondContact ND1-N 3.02Å; H102-G105 PolarHBondContact O-N 3.23Å; H102-L106 PolarHBondContact O-N 3.47Å; H102-V136 HydrophobicContact CB-CB 3.93Å; H102-V136 HydrophobicContact CB-CG2 4.48Å; H102-V136 PolarHBondContact CD2-O 3.23Å; H102-D138 IonicContact CD2-OD1 2.73Å; H102-D138 IonicContact CE1-OD1 2.66Å; H102-D138 IonicContact NE2-OD1 3.85Å; H102-D138 PolarHBondContact NE2-OD1 2.93Å; H102-Q141 PolarHBondContact CD2-NE2 2.94Å; H102-Q141 PolarHBondContact CE1-NE2 2.96Å; H102-Q141 VanDerWaalsContact CG-NE2 3.29Å; H102-Q141 PolarHBondContact ND1-NE2 3.1Å; H102-Q141 PolarHBondContact NE2-NE2 2.98Å
103L98.5Very high97.5Very high0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-60.5-48.4-174.1-74.7173.4000113I101 G105 L106 F107 M181 L184 L220 Y223 I227I101-L103 HydrophobicContact CG2-CD2 4.27Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 3.23Å; L103-L106 PolarHBondContact O-N 3.37Å; L103-F107 VanDerWaalsContact O-CD2 3.28Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 2.78Å; L103-M181 HydrophobicContact CD2-CE 3.71Å; L103-M181 HydrophobicContact CD2-SD 4.31Å; L103-M181 HydrophobicContact CG-CE 4.11Å; L103-L184 HydrophobicContact CD1-CD2 3.56Å; L103-L220 HydrophobicContact CD1-CD2 3.97Å; L103-Y223 HydrophobicContact CB-CD2 4.38Å; L103-Y223 HydrophobicContact CB-CG 4.26Å; L103-I227 HydrophobicContact CD2-CB 4.46Å; L103-I227 HydrophobicContact CD2-CD1 4.16Å; L103-I227 HydrophobicContact CD2-CG1 3.98Å
104P97.7Very high97.3Very high18 Ų1825 Ų2512%0.11713%0.126CC..Hα-helixtrans-55.2-47.1173.8-22.530.8000112L106 F107 E108 Y223P104-L106 VanDerWaalsContact C-N 3.33Å; P104-L106 PolarHBondContact O-N 3.4Å; P104-F107 PolarHBondContact O-N 3.31Å; P104-E108 WeakPolarHBondContact O-CG 3.32Å; P104-E108 PolarHBondContact O-N 3.06Å; P104-Y223 HydrophobicContact CB-CE2 4.27Å; P104-Y223 HydrophobicContact CG-CE2 3.78Å
105G96.9Very high97.1Very high10 Ų1031.8 Ų31.810%0.10316%0.157CC..Hα-helixtrans-60.3-37.1179.100000114.3H102 L103 E109H102-G105 WeakPolarHBondContact ND1-CA 3.2Å; H102-G105 PolarHBondContact ND1-N 3.02Å; H102-G105 PolarHBondContact O-N 3.23Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 3.23Å; G105-E109 VanDerWaalsContact O-CB 3.24Å; G105-E109 WeakPolarHBondContact O-CB 3.41Å; G105-E109 PolarHBondContact O-N 3.48Å
106L98Very high96.8Very high0 Ų035.7 Ų35.70%017%0.174CC..Hα-helixtrans-62.1-46.7175.5177.565.8000111.6L81 L82 I95 I101 H102 L103 P104 A110 L127 I129 I227L81-L106 HydrophobicContact CB-CD1 3.8Å; L81-L106 HydrophobicContact CD1-CB 3.84Å; L81-L106 HydrophobicContact CD1-CD1 4.4Å; L82-L106 HydrophobicContact CD2-CD1 3.68Å; L82-L106 HydrophobicContact CG-CD1 3.91Å; I95-L106 HydrophobicContact CD1-CD1 4.37Å; I101-L106 HydrophobicContact CG2-CB 4.45Å; I101-L106 HydrophobicContact CG2-CD2 4.21Å; H102-L106 PolarHBondContact O-N 3.47Å; L103-L106 PolarHBondContact O-N 3.37Å; P104-L106 VanDerWaalsContact C-N 3.33Å; P104-L106 PolarHBondContact O-N 3.4Å; L106-A110 PolarHBondContact O-N 3.17Å; L106-A110 VanDerWaalsContact O-N 3.08Å; L106-L127 HydrophobicContact CD2-CD2 4.4Å; L106-I129 HydrophobicContact CD2-CD1 4.02Å; L106-I227 HydrophobicContact CD2-CD1 3.89Å
107F97.3Very high96.3Very high33 Ų3336.8 Ų36.815%0.14519%0.186CC..Hα-helixtrans-72.6-38-179.4-75.5-74.5000112.2L103 P104 A110 E111 W123 Y223 K226 I227L103-F107 VanDerWaalsContact O-CD2 3.28Å; L103-F107 WeakPolarHBondContact O-CD2 3.42Å; L103-F107 PolarHBondContact O-N 2.78Å; P104-F107 PolarHBondContact O-N 3.31Å; F107-A110 PolarHBondContact O-N 3.06Å; F107-E111 WeakPolarHBondContact O-CB 3.46Å; F107-E111 PolarHBondContact O-N 3.32Å; F107-W123 HydrophobicContact CD1-CH2 4.24Å; F107-W123 HydrophobicContact CD1-CZ2 4.31Å; F107-W123 HydrophobicContact CE1-CH2 4.14Å; F107-W123 HydrophobicContact CE1-CZ2 4.43Å; F107-Y223 HydrophobicContact CB-CE1 4.18Å; F107-Y223 AromaticContact CD2-CD1 3.27Å; F107-Y223 HydrophobicContact CD2-CD1 3.27Å; F107-Y223 AromaticContact CD2-CE1 3.39Å; F107-Y223 HydrophobicContact CD2-CE1 3.39Å; F107-Y223 HydrophobicContact CD2-CG 4.37Å; F107-Y223 AromaticContact CE2-CD1 3.41Å; F107-Y223 HydrophobicContact CE2-CD1 3.41Å; F107-Y223 VanDerWaalsContact CE2-CD1 3.41Å; F107-Y223 HydrophobicContact CE2-CE1 4.04Å; F107-Y223 HydrophobicContact CE2-CG 4.3Å; F107-Y223 HydrophobicContact CG-CD1 4.19Å; F107-Y223 AromaticContact CG-CE1 3.98Å; F107-Y223 HydrophobicContact CG-CE1 3.98Å; F107-Y223 HydrophobicContact CZ-CD1 4.4Å; F107-K226 HydrophobicContact CE1-CB 4.15Å; F107-K226 HydrophobicContact CE1-CD 4.32Å; F107-K226 HydrophobicContact CZ-CB 3.69Å; F107-K226 HydrophobicContact CZ-CD 4.37Å; F107-I227 HydrophobicContact CE2-CD1 4.1Å; F107-I227 HydrophobicContact CZ-CD1 3.91Å
108E96.5Very high95.8Very high93 Ų9344 Ų4444%0.43522%0.215SC..Hα-helixtrans-62.6-41.3173.5-74.3176.6-156.900112.2P104 K112P104-E108 WeakPolarHBondContact O-CG 3.32Å; P104-E108 PolarHBondContact O-N 3.06Å; E108-K112 WeakPolarHBondContact O-CB 3.35Å; E108-K112 WeakPolarHBondContact O-CD 3.38Å; E108-K112 VanDerWaalsContact O-CG 3.22Å; E108-K112 WeakPolarHBondContact O-CG 3.19Å; E108-K112 PolarHBondContact O-N 2.93Å; E108-K112 IonicContact OE2-NZ 2.96Å
109E96.2Very high95.1Very high12 Ų1244.4 Ų44.46%0.05622%0.22CC..Hα-helixtrans-60.4-47.9174.4175.4-172.3162.100111.1F79 H80 L81 L82 G105 N113F79-E109 WeakPolarHBondContact CA-OE1 3.3Å; H80-E109 WeakPolarHBondContact CB-OE2 3.2Å; H80-E109 PolarHBondContact N-OE1 3.34Å; H80-E109 PolarHBondContact N-OE2 3.48Å; L81-E109 WeakPolarHBondContact CB-OE2 3.41Å; L81-E109 PolarHBondContact N-OE1 3.36Å; L81-E109 PolarHBondContact N-OE2 2.75Å; L82-E109 WeakPolarHBondContact CB-OE1 3.45Å; L82-E109 PolarHBondContact N-OE1 3.4Å; G105-E109 VanDerWaalsContact O-CB 3.24Å; G105-E109 WeakPolarHBondContact O-CB 3.41Å; G105-E109 PolarHBondContact O-N 3.48Å; E109-N113 WeakPolarHBondContact O-CB 3.4Å; E109-N113 PolarHBondContact O-N 3.3Å; E109-N113 VanDerWaalsContact O-N 3.09Å; E109-N113 PolarHBondContact O-ND2 2.92Å
110A96.1Very high94.7Very high1 Ų144.5 Ų44.51%0.00822%0.221CC..Hα-helixtrans-61.4-49.2178.500000111.6L82 L106 F107 K112 N113 V114 W123L82-A110 HydrophobicContact CD1-CB 4.12Å; L106-A110 PolarHBondContact O-N 3.17Å; L106-A110 VanDerWaalsContact O-N 3.08Å; F107-A110 PolarHBondContact O-N 3.06Å; A110-K112 PolarHBondContact O-N 3.25Å; A110-N113 PolarHBondContact O-N 3.43Å; A110-V114 WeakPolarHBondContact O-CB 3.37Å; A110-V114 VanDerWaalsContact O-CG2 3.28Å; A110-V114 WeakPolarHBondContact O-CG2 3.36Å; A110-V114 PolarHBondContact O-N 2.88Å; A110-W123 HydrophobicContact CB-CD2 4.18Å; A110-W123 VanDerWaalsContact CB-CE2 3.47Å; A110-W123 HydrophobicContact CB-CH2 3.86Å; A110-W123 HydrophobicContact CB-CZ2 3.29Å
111E95.6Very high94.2Very high118 Ų11851.6 Ų51.655%0.55125%0.254SS*.Hα-helixtrans-59.6-47.4180-178175-170.100111.7F107 N113 V114 Q115F107-E111 WeakPolarHBondContact O-CB 3.46Å; F107-E111 PolarHBondContact O-N 3.32Å; E111-N113 VanDerWaalsContact C-N 3.29Å; E111-N113 PolarHBondContact O-N 3.28Å; E111-V114 PolarHBondContact O-N 2.96Å; E111-Q115 VanDerWaalsContact O-CG 3.32Å; E111-Q115 WeakPolarHBondContact O-CG 3.3Å; E111-Q115 PolarHBondContact O-N 3.46Å; E111-Q115 VanDerWaalsContact O-N 3.08Å
112K94.7Very high93.9Very high123 Ų12353.2 Ų53.254%0.53527%0.271SS..Hα-helixtrans-57.9-42.3176.9-76.5169.2-176.3161.70111.6E108 A110 K116E108-K112 WeakPolarHBondContact O-CB 3.35Å; E108-K112 WeakPolarHBondContact O-CD 3.38Å; E108-K112 VanDerWaalsContact O-CG 3.22Å; E108-K112 WeakPolarHBondContact O-CG 3.19Å; E108-K112 PolarHBondContact O-N 2.93Å; E108-K112 IonicContact OE2-NZ 2.96Å; A110-K112 PolarHBondContact O-N 3.25Å; K112-K116 WeakPolarHBondContact O-CG 3.37Å
113N95.2Very high93.8Very high2 Ų253 Ų531%0.01127%0.269CS..Hα-helixtrans-76-35.5-178.6-78.1-39.9000113Y77 D78 E109 A110 E111 Q115 K116 L120Y77-N113 HydrophobicContact CD1-CB 4.06Å; Y77-N113 WeakPolarHBondContact CE1-O 3.48Å; D78-N113 PolarHBondContact N-OD1 3.42Å; D78-N113 PolarHBondContact O-ND2 2.91Å; E109-N113 WeakPolarHBondContact O-CB 3.4Å; E109-N113 PolarHBondContact O-N 3.3Å; E109-N113 VanDerWaalsContact O-N 3.09Å; E109-N113 PolarHBondContact O-ND2 2.92Å; A110-N113 PolarHBondContact O-N 3.43Å; E111-N113 VanDerWaalsContact C-N 3.29Å; E111-N113 PolarHBondContact O-N 3.28Å; N113-Q115 VanDerWaalsContact C-N 3.27Å; N113-Q115 PolarHBondContact O-N 3.05Å; N113-K116 PolarHBondContact O-N 3.04Å; N113-L120 HydrophobicContact CB-CD1 3.66Å; N113-L120 HydrophobicContact CB-CD2 3.88Å; N113-L120 HydrophobicContact CB-CG 4.38Å
114V94.3Very high93.6Very high67 Ų6757.3 Ų57.341%0.40629%0.289SS..Hα-helixtrans-61-37.1173.1167.70000111.3A110 E111 K116 G117 L120A110-V114 WeakPolarHBondContact O-CB 3.37Å; A110-V114 VanDerWaalsContact O-CG2 3.28Å; A110-V114 WeakPolarHBondContact O-CG2 3.36Å; A110-V114 PolarHBondContact O-N 2.88Å; E111-V114 PolarHBondContact O-N 2.96Å; V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 2.86Å; V114-G117 VanDerWaalsContact O-O 3.06Å; V114-L120 HydrophobicContact CG2-CB 3.57Å
115Q93.9Very high93.6Very high143 Ų14365.8 Ų65.867%0.66832%0.324SS*.Hα-helixtrans-68.4-23.3178-71.2172.63.400113.5E111 N113E111-Q115 VanDerWaalsContact O-CG 3.32Å; E111-Q115 WeakPolarHBondContact O-CG 3.3Å; E111-Q115 PolarHBondContact O-N 3.46Å; E111-Q115 VanDerWaalsContact O-N 3.08Å; N113-Q115 VanDerWaalsContact C-N 3.27Å; N113-Q115 PolarHBondContact O-N 3.05Å
116K92.9Very high93.6Very high82 Ų8266.9 Ų66.936%0.35733%0.325SS..Hα-helixtrans-78.6-30.3-178.7-67.2175.3179.9-176.10113.2V75 E76 Y77 D78 K112 N113 V114V75-K116 HydrophobicContact CG1-CB 3.84Å; V75-K116 WeakPolarHBondContact CG1-O 3.42Å; E76-K116 WeakPolarHBondContact O-CD 3.47Å; E76-K116 PolarHBondContact O-NZ 2.93Å; Y77-K116 HydrophobicContact CE1-CB 4.4Å; D78-K116 IonicContact OD2-NZ 3.33Å; D78-K116 PolarHBondContact OD2-NZ 3.42Å; K112-K116 WeakPolarHBondContact O-CG 3.37Å; N113-K116 PolarHBondContact O-N 3.04Å; V114-K116 VanDerWaalsContact C-N 3.26Å; V114-K116 PolarHBondContact O-N 2.86Å
117G89Confident93.6Very high23 Ų2367.1 Ų67.124%0.23733%0.326CS..  trans176.9-175.4-177.800000113.4Y77 V114 G119Y77-G117 WeakPolarHBondContact OH-CA 3.5Å; V114-G117 VanDerWaalsContact O-O 3.06Å; G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 2.98Å
118K86.3Confident93.7Very high179 Ų17966 Ų6678%0.77832%0.322SS*.G310 helixtrans-78.6-2.7-172.4-60.6-174.7178.9-176.80114.8L120 E121K118-L120 PolarHBondContact O-N 3.38Å; K118-L120 VanDerWaalsContact O-N 3.12Å; K118-E121 PolarHBondContact O-N 3.1Å; K118-E121 VanDerWaalsContact O-N 3.15Å
119G83.3Confident93.8Very high15 Ų1561.6 Ų61.616%0.15530%0.302CS..G310 helixtrans-61.6-23.2-171.600000115.2Y77 I87 G117Y77-G119 PolarHBondContact OH-N 3.36Å; I87-G119 WeakPolarHBondContact CA-O 3.49Å; G117-G119 VanDerWaalsContact C-N 3.26Å; G117-G119 PolarHBondContact O-N 2.98Å
120L91.4Very high93.9Very high1 Ų161 Ų611%0.00530%0.299CS..G310 helixtrans-10916.8179.4-76.385.7000113.5Y77 F79 L82 N113 V114 K118 G122 W123Y77-L120 HydrophobicContact CD1-CD1 3.67Å; Y77-L120 HydrophobicContact CE1-CD1 3.85Å; F79-L120 HydrophobicContact CE1-CD1 4.22Å; F79-L120 HydrophobicContact CE1-CD2 4.38Å; F79-L120 HydrophobicContact CZ-CD1 4.25Å; L82-L120 HydrophobicContact CD1-CD2 3.79Å; N113-L120 HydrophobicContact CB-CD1 3.66Å; N113-L120 HydrophobicContact CB-CD2 3.88Å; N113-L120 HydrophobicContact CB-CG 4.38Å; V114-L120 HydrophobicContact CG2-CB 3.57Å; K118-L120 PolarHBondContact O-N 3.38Å; K118-L120 VanDerWaalsContact O-N 3.12Å; L120-G122 PolarHBondContact O-N 2.76Å; L120-W123 HydrophobicContact CB-CB 4.25Å; L120-W123 HydrophobicContact CB-CG 4.41Å; L120-W123 HydrophobicContact CD2-CG 4.46Å; L120-W123 WeakPolarHBondContact O-CB 3.27Å; L120-W123 PolarHBondContact O-N 2.9Å; L120-W123 VanDerWaalsContact O-N 3.15Å
121E87.4Confident94.1Very high151 Ų15162.4 Ų62.471%0.70631%0.306SS*.THydrogen-bonded Turntrans-58.6126.8176.3-167.9172.4179.600111.1K118 W123K118-E121 PolarHBondContact O-N 3.1Å; K118-E121 VanDerWaalsContact O-N 3.15Å; E121-W123 VanDerWaalsContact C-N 3.26Å; E121-W123 PolarHBondContact O-N 2.75Å
122G92.3Very high94.2Very high34 Ų3460.5 Ų60.535%0.35129%0.294SS..THydrogen-bonded Turntrans64.821.2-179.300000115.5L120 E124 K125L120-G122 PolarHBondContact O-N 2.76Å; G122-E124 PolarHBondContact O-N 3.26Å; G122-K125 PolarHBondContact O-N 3.47Å; G122-K125 VanDerWaalsContact O-N 3.16Å
123W95.8Very high94.4Very high7 Ų754.6 Ų54.63%0.02727%0.268CS..G310 helixtrans-54.9-33.4-179.273-84.5000113L82 I86 F107 A110 L120 E121 K125 R126 L127 M230L82-W123 HydrophobicContact CD2-CE3 4.01Å; L82-W123 HydrophobicContact CD2-CZ3 4.01Å; I86-W123 HydrophobicContact CD1-CB 3.83Å; I86-W123 HydrophobicContact CD1-CE3 4.35Å; I86-W123 HydrophobicContact CG1-CB 4.36Å; F107-W123 HydrophobicContact CD1-CH2 4.24Å; F107-W123 HydrophobicContact CD1-CZ2 4.31Å; F107-W123 HydrophobicContact CE1-CH2 4.14Å; F107-W123 HydrophobicContact CE1-CZ2 4.43Å; A110-W123 HydrophobicContact CB-CD2 4.18Å; A110-W123 VanDerWaalsContact CB-CE2 3.47Å; A110-W123 HydrophobicContact CB-CH2 3.86Å; A110-W123 HydrophobicContact CB-CZ2 3.29Å; L120-W123 HydrophobicContact CB-CB 4.25Å; L120-W123 HydrophobicContact CB-CG 4.41Å; L120-W123 HydrophobicContact CD2-CG 4.46Å; L120-W123 WeakPolarHBondContact O-CB 3.27Å; L120-W123 PolarHBondContact O-N 2.9Å; L120-W123 VanDerWaalsContact O-N 3.15Å; E121-W123 VanDerWaalsContact C-N 3.26Å; E121-W123 PolarHBondContact O-N 2.75Å; W123-K125 PolarHBondContact O-N 3.5Å; W123-R126 CarbonylContact O-C 3.51Å; W123-R126 PolarHBondContact O-N 2.89Å; W123-L127 HydrophobicContact CE3-CB 4.16Å; W123-L127 HydrophobicContact CE3-CD2 4.17Å; W123-L127 HydrophobicContact CZ3-CB 4.3Å; W123-L127 HydrophobicContact CZ3-CD2 3.6Å; W123-L127 PolarHBondContact O-N 2.88Å; W123-M230 HydrophobicContact CH2-CE 4.25Å; W123-M230 HydrophobicContact CZ3-CE 4.31Å; W123-M230 HydrophobicContact CZ3-SD 4.16Å
124E95.8Very high94.6Very high91 Ų9155.6 Ų55.643%0.42527%0.273SS..G310 helixtrans-58.2-32.5-179.2-64.891162.600112.6G122 R126 M230G122-E124 PolarHBondContact O-N 3.26Å; E124-R126 VanDerWaalsContact C-N 3.31Å; E124-M230 HydrophobicContact CB-CE 3.6Å; E124-M230 HydrophobicContact CG-CE 3.77Å
125K96.6Very high94.8Very high196 Ų19652.4 Ų52.485%0.85225%0.253SS*.G310 helixtrans-81.3-14.9179.7-63.7179.7-178.1174.60112.7G122 W123G122-K125 PolarHBondContact O-N 3.47Å; G122-K125 VanDerWaalsContact O-N 3.16Å; W123-K125 PolarHBondContact O-N 3.5Å
126R96.9Very high95Very high34 Ų3445.7 Ų45.713%0.12822%0.222CC..THydrogen-bonded Turntrans-109.4-11.5-174.8-61.2-175.3-64.8112.4-7.3112.8I86 N88 P89 V91 T92 A93 W123 E124I86-R126 VanDerWaalsContact O-CZ 3.3Å; I86-R126 PolarHBondContact O-NH1 3.26Å; I86-R126 PolarHBondContact O-NH2 2.85Å; N88-R126 PolarHBondContact O-NH1 3.5Å; P89-R126 WeakPolarHBondContact O-CD 3.49Å; V91-R126 PolarHBondContact O-NH1 3.08Å; T92-R126 CarbonylContact C-O 3.37Å; T92-R126 WeakPolarHBondContact CA-O 3.22Å; T92-R126 WeakPolarHBondContact CG2-O 3.26Å; A93-R126 PolarHBondContact N-O 2.96Å; W123-R126 CarbonylContact O-C 3.51Å; W123-R126 PolarHBondContact O-N 2.89Å; E124-R126 VanDerWaalsContact C-N 3.31Å
127L98.6Very high95.3Very high4 Ų442 Ų422%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-84.9130.8174.1-17665.7000111L82 I86 A93 I95 L106 W123 I129 M230L82-L127 HydrophobicContact CD2-CD1 4.09Å; L82-L127 HydrophobicContact CD2-CD2 3.74Å; L82-L127 HydrophobicContact CD2-CG 4.48Å; I86-L127 HydrophobicContact CD1-CB 4.49Å; A93-L127 HydrophobicContact CB-CD1 3.8Å; A93-L127 CarbonylContact O-C 3.59Å; A93-L127 WeakPolarHBondContact O-CA 3.45Å; I95-L127 HydrophobicContact CD1-CD1 3.97Å; I95-L127 HydrophobicContact CD1-CD2 4.37Å; I95-L127 HydrophobicContact CG1-CD1 4.03Å; L106-L127 HydrophobicContact CD2-CD2 4.4Å; W123-L127 HydrophobicContact CE3-CB 4.16Å; W123-L127 HydrophobicContact CE3-CD2 4.17Å; W123-L127 HydrophobicContact CZ3-CB 4.3Å; W123-L127 HydrophobicContact CZ3-CD2 3.6Å; W123-L127 PolarHBondContact O-N 2.88Å; L127-I129 HydrophobicContact CD2-CD1 3.9Å; L127-I129 HydrophobicContact CD2-CG1 3.98Å; L127-I129 HydrophobicContact CG-CD1 4.47Å; L127-I129 HydrophobicContact CG-CG1 4.04Å; L127-M230 HydrophobicContact CB-SD 4.24Å; L127-M230 HydrophobicContact CD2-SD 3.94Å; L127-M230 HydrophobicContact CG-SD 4.4Å
128I98.8Very high95.7Very high11 Ų1143.3 Ų43.36%0.05621%0.208CC..EExtended strand (participates in β ladder)trans-119135.7168-62.3173.6000108.4T92 A93 F94 I95 M230 R232 F237T92-I128 HydrophobicContact CG2-CD1 3.67Å; T92-I128 HydrophobicContact CG2-CG1 4.15Å; A93-I128 PolarHBondContact O-N 3.32Å; F94-I128 CarbonylContact C-O 3.48Å; F94-I128 WeakPolarHBondContact CA-O 3.42Å; F94-I128 HydrophobicContact CD2-CB 4.05Å; F94-I128 HydrophobicContact CD2-CG2 3.77Å; F94-I128 WeakPolarHBondContact CD2-O 3.37Å; F94-I128 HydrophobicContact CE2-CG2 4.07Å; I95-I128 PolarHBondContact N-O 3.46Å; I128-M230 CarbonylContact C-O 3.56Å; I128-M230 WeakPolarHBondContact CA-O 3.45Å; I128-R232 HydrophobicContact CG2-CB 4.05Å; I128-R232 HydrophobicContact CG2-CG 4.1Å; I128-F237 HydrophobicContact CD1-CD2 3.75Å; I128-F237 HydrophobicContact CD1-CE1 4.11Å; I128-F237 HydrophobicContact CD1-CE2 3.24Å; I128-F237 HydrophobicContact CD1-CG 4.36Å; I128-F237 HydrophobicContact CD1-CZ 3.46Å; I128-F237 VanDerWaalsContact CD1-CZ 3.46Å; I128-F237 HydrophobicContact CG2-CD1 4.26Å; I128-F237 HydrophobicContact CG2-CG 4.36Å
129I98.8Very high96.2Very high0 Ų034.9 Ų34.90%017%0.171CC..EExtended strand (participates in β ladder)trans-120.7132.2178.3-59.2174.8000108.2I95 I101 L106 L127 D131 A133 M181 I227 M230 V231 R232I95-I129 HydrophobicContact CB-CG1 4.36Å; I95-I129 HydrophobicContact CD1-CG1 4.42Å; I101-I129 HydrophobicContact CD1-CG2 3.5Å; L106-I129 HydrophobicContact CD2-CD1 4.02Å; L127-I129 HydrophobicContact CD2-CD1 3.9Å; L127-I129 HydrophobicContact CD2-CG1 3.98Å; L127-I129 HydrophobicContact CG-CD1 4.47Å; L127-I129 HydrophobicContact CG-CG1 4.04Å; I129-D131 PolarHBondContact O-N 3.27Å; I129-A133 HydrophobicContact CG2-CB 4.38Å; I129-M181 HydrophobicContact CG2-CG 3.98Å; I129-I227 HydrophobicContact CD1-CD1 3.48Å; I129-I227 VanDerWaalsContact CD1-CD1 3.48Å; I129-I227 HydrophobicContact CD1-CG1 3.81Å; I129-M230 HydrophobicContact CD1-CB 4.4Å; I129-M230 HydrophobicContact CG1-CB 4.47Å; I129-M230 PolarHBondContact N-O 3.39Å; I129-V231 HydrophobicContact CB-CG2 4.41Å; I129-V231 WeakPolarHBondContact O-CA 3.38Å; I129-R232 PolarHBondContact O-N 2.99Å
130S98.8Very high96.9Very high0 Ų034.1 Ų34.10%016%0.164CC..EExtended strand (participates in β ladder)trans-63.5127.7171.8177.90000110.5I95 R132 A133I95-S130 PolarHBondContact O-N 3.37Å; S130-R132 PolarHBondContact O-N 3.06Å; S130-R132 PolarHBondContact OG-N 2.99Å; S130-A133 VanDerWaalsContact O-CB 3.31Å; S130-A133 WeakPolarHBondContact O-CB 3.44Å; S130-A133 PolarHBondContact O-N 2.75Å
131D98.8Very high97.2Very high29 Ų2936 Ų3616%0.15517%0.172CC..THydrogen-bonded Turntrans-48.3-26165.865.9-21.8000114.2I129 M181 C182 V231 R232 G234I129-D131 PolarHBondContact O-N 3.27Å; D131-M181 PolarHBondContact O-N 3.23Å; D131-C182 HydrophobicContact CB-CB 4.06Å; D131-C182 VanDerWaalsContact O-CB 3.32Å; D131-C182 WeakPolarHBondContact O-CB 3.31Å; D131-C182 PolarHBondContact O-N 2.91Å; D131-V231 HydrophobicContact CB-CG1 3.87Å; D131-R232 VanDerWaalsContact CB-O 3.32Å; D131-R232 WeakPolarHBondContact CB-O 3.13Å; D131-R232 PolarHBondContact N-O 3.01Å; D131-G234 PolarHBondContact OD1-N 3.39Å
132R98.6Very high97.6Very high78 Ų7830.9 Ų30.929%0.29416%0.156SC..THydrogen-bonded Turntrans-92.2-1.8-179.5-66.1168.9-169.889.2-9.5114N97 S130 R180 D233N97-R132 HydrophobicContact CB-CB 3.64Å; S130-R132 PolarHBondContact O-N 3.06Å; S130-R132 PolarHBondContact OG-N 2.99Å; R132-R180 WeakPolarHBondContact O-CD 3.35Å; R132-D233 IonicContact CZ-OD1 3.56Å; R132-D233 IonicContact CZ-OD2 3.71Å; R132-D233 VanDerWaalsContact NH1-CG 3.26Å; R132-D233 IonicContact NH1-OD1 2.75Å; R132-D233 PolarHBondContact NH1-OD1 3.25Å; R132-D233 IonicContact NH1-OD2 3.48Å; R132-D233 PolarHBondContact NH1-OD2 3.36Å; R132-D233 IonicContact NH2-OD1 3.78Å; R132-D233 PolarHBondContact NH2-OD1 3Å; R132-D233 IonicContact NH2-OD2 2.71Å; R132-D233 PolarHBondContact NH2-OD2 2.8Å
133A98.8Very high97.8Very high0 Ų029.2 Ų29.20%014%0.139CC..PPolyproline II helixtrans-66.9139.417500000111I101 I129 S130 R180 M181I101-A133 HydrophobicContact CD1-CB 3.68Å; I101-A133 HydrophobicContact CG1-CB 4.4Å; I129-A133 HydrophobicContact CG2-CB 4.38Å; S130-A133 VanDerWaalsContact O-CB 3.31Å; S130-A133 WeakPolarHBondContact O-CB 3.44Å; S130-A133 PolarHBondContact O-N 2.75Å; A133-R180 CarbonylContact O-C 3.56Å; A133-R180 WeakPolarHBondContact O-CA 3.49Å; A133-R180 WeakPolarHBondContact O-CB 3.39Å; A133-M181 HydrophobicContact CB-CG 4.26Å; A133-M181 PolarHBondContact O-N 3.37Å
134H98.8Very high97.8Very high22 Ų2229.1 Ų29.110%0.10214%0.139CC..EExtended strand (participates in β ladder)trans-85.3149.2-178.9-72.962000111.4V99 V100 I101 V169 K173 L179V99-H134 PolarHBondContact O-N 2.83Å; V100-H134 CarbonylContact C-O 3.25Å; V100-H134 WeakPolarHBondContact CA-O 3.39Å; V100-H134 HydrophobicContact CG1-CB 4.17Å; I101-H134 PolarHBondContact N-O 2.84Å; H134-V169 HydrophobicContact CB-CG2 4.17Å; H134-K173 WeakPolarHBondContact NE2-CG 3.48Å; H134-L179 WeakPolarHBondContact CA-O 3.22Å
135I98.8Very high97.7Very high1 Ų125.7 Ų25.71%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-96131.4-179.6-56167.8000109.6I101 F137 V169 L179 M181 L184 F191I101-I135 WeakPolarHBondContact O-CA 3.44Å; I135-F137 HydrophobicContact CB-CE1 3.97Å; I135-F137 HydrophobicContact CB-CZ 3.97Å; I135-F137 HydrophobicContact CG2-CD1 3.85Å; I135-F137 HydrophobicContact CG2-CE1 3.42Å; I135-F137 VanDerWaalsContact CG2-CE1 3.42Å; I135-F137 HydrophobicContact CG2-CZ 3.97Å; I135-V169 VanDerWaalsContact O-CG2 3.27Å; I135-V169 WeakPolarHBondContact O-CG2 3.37Å; I135-L179 PolarHBondContact N-O 3.26Å; I135-M181 HydrophobicContact CD1-CE 4.44Å; I135-M181 HydrophobicContact CD1-SD 4.08Å; I135-M181 HydrophobicContact CG1-CE 3.67Å; I135-M181 HydrophobicContact CG1-SD 3.88Å; I135-L184 HydrophobicContact CD1-CB 3.82Å; I135-L184 HydrophobicContact CD1-CD2 3.96Å; I135-L184 HydrophobicContact CD1-CG 4.46Å; I135-F191 HydrophobicContact CD1-CE2 4.02Å; I135-F191 HydrophobicContact CD1-CZ 4.45Å
136V98.7Very high97.6Very high2 Ų217.6 Ų17.61%0.0129%0.093CC..EExtended strand (participates in β ladder)trans-88.8126.8167.5-167.30000108.2V100 I101 H102 H140 Q141 K164 V169V100-V136 HydrophobicContact CB-CG2 3.81Å; V100-V136 HydrophobicContact CG2-CG2 3.79Å; I101-V136 PolarHBondContact O-N 3.13Å; H102-V136 HydrophobicContact CB-CB 3.93Å; H102-V136 HydrophobicContact CB-CG2 4.48Å; H102-V136 PolarHBondContact CD2-O 3.23Å; V136-H140 HydrophobicContact CG1-CB 4Å; V136-Q141 HydrophobicContact CG1-CG 4.31Å; V136-K164 WeakPolarHBondContact CG1-O 3.37Å; V136-V169 HydrophobicContact CG2-CB 4.28Å; V136-V169 HydrophobicContact CG2-CG1 3.92Å; V136-V169 HydrophobicContact CG2-CG2 4.27Å
137F98.6Very high97.4Very high3 Ų318.3 Ų18.31%0.01310%0.098CC..PPolyproline II helixtrans-100.7163.4176.1-57.8-57.9000110.9I135 F139 H140 Q141 L179 F191 F195 L198 L220I135-F137 HydrophobicContact CB-CE1 3.97Å; I135-F137 HydrophobicContact CB-CZ 3.97Å; I135-F137 HydrophobicContact CG2-CD1 3.85Å; I135-F137 HydrophobicContact CG2-CE1 3.42Å; I135-F137 VanDerWaalsContact CG2-CE1 3.42Å; I135-F137 HydrophobicContact CG2-CZ 3.97Å; F137-F139 VanDerWaalsContact C-N 3.28Å; F137-F139 HydrophobicContact CB-CD1 3.65Å; F137-F139 HydrophobicContact CB-CD2 4.47Å; F137-F139 HydrophobicContact CB-CE1 3.41Å; F137-F139 VanDerWaalsContact CB-CE1 3.41Å; F137-F139 HydrophobicContact CB-CE2 4.25Å; F137-F139 HydrophobicContact CB-CG 4.2Å; F137-F139 HydrophobicContact CB-CZ 3.73Å; F137-F139 AromaticContact CD2-CE1 3.71Å; F137-F139 HydrophobicContact CD2-CE1 3.71Å; F137-F139 HydrophobicContact CD2-CE2 4.16Å; F137-F139 AromaticContact CD2-CZ 3.35Å; F137-F139 HydrophobicContact CD2-CZ 3.35Å; F137-F139 HydrophobicContact CE2-CZ 4.27Å; F137-F139 HydrophobicContact CG-CD1 4.44Å; F137-F139 AromaticContact CG-CE1 3.71Å; F137-F139 HydrophobicContact CG-CE1 3.71Å; F137-F139 AromaticContact CG-CZ 3.84Å; F137-F139 HydrophobicContact CG-CZ 3.84Å; F137-F139 PolarHBondContact O-N 3.08Å; F137-H140 AromaticContact CD2-CE1 3.5Å; F137-H140 VanDerWaalsContact CD2-CE1 3.5Å; F137-H140 WeakPolarHBondContact CD2-CE1 3.34Å; F137-H140 AromaticContact CD2-ND1 3.84Å; F137-H140 PolarHBondContact N-ND1 2.85Å; F137-H140 VanDerWaalsContact O-CB 3.3Å; F137-H140 WeakPolarHBondContact O-CB 3.46Å; F137-H140 PolarHBondContact O-N 3.5Å; F137-Q141 PolarHBondContact O-N 3.14Å; F137-L179 HydrophobicContact CE2-CB 4.15Å; F137-L179 HydrophobicContact CE2-CD1 4.05Å; F137-L179 HydrophobicContact CE2-CG 4.41Å; F137-L179 HydrophobicContact CZ-CB 3.94Å; F137-L179 HydrophobicContact CZ-CD1 3.89Å; F137-L179 HydrophobicContact CZ-CG 4.42Å; F137-F191 AromaticContact CE1-CZ 3.9Å; F137-F191 HydrophobicContact CE1-CZ 3.9Å; F137-F191 HydrophobicContact CZ-CE2 4.15Å; F137-F191 AromaticContact CZ-CZ 3.87Å; F137-F191 HydrophobicContact CZ-CZ 3.87Å; F137-F195 HydrophobicContact CB-CE2 4.35Å; F137-F195 HydrophobicContact CD1-CD2 4.05Å; F137-F195 AromaticContact CD1-CE2 3.59Å; F137-F195 HydrophobicContact CD1-CE2 3.59Å; F137-F195 HydrophobicContact CD2-CD2 4.29Å; F137-F195 HydrophobicContact CD2-CE2 4.16Å; F137-F195 AromaticContact CE1-CD2 3.8Å; F137-F195 HydrophobicContact CE1-CD2 3.8Å; F137-F195 AromaticContact CE1-CE2 3.81Å; F137-F195 HydrophobicContact CE1-CE2 3.81Å; F137-F195 HydrophobicContact CE2-CD2 4.06Å; F137-F195 HydrophobicContact CE2-CE2 4.36Å; F137-F195 HydrophobicContact CG-CD2 4.28Å; F137-F195 AromaticContact CG-CE2 3.77Å; F137-F195 HydrophobicContact CG-CE2 3.77Å; F137-F195 AromaticContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CE2 4.2Å; F137-L198 HydrophobicContact CD2-CD2 4.16Å; F137-L198 HydrophobicContact CE2-CD2 3.93Å; F137-L220 HydrophobicContact CD1-CD1 4Å; F137-L220 HydrophobicContact CD1-CD2 4.46Å; F137-L220 HydrophobicContact CE1-CD1 3.79Å; F137-L220 HydrophobicContact CE1-CD2 4.29Å
138D97.4Very high96.9Very high51 Ų5118.7 Ų18.727%0.27310%0.1SC..Hα-helixtrans-65-37.6-177.6-67.9-13.3000110.5H102 H140 Q141 A142H102-D138 IonicContact CD2-OD1 2.73Å; H102-D138 IonicContact CE1-OD1 2.66Å; H102-D138 IonicContact NE2-OD1 3.85Å; H102-D138 PolarHBondContact NE2-OD1 2.93Å; D138-H140 VanDerWaalsContact C-N 3.25Å; D138-H140 PolarHBondContact O-N 3Å; D138-Q141 WeakPolarHBondContact O-CA 3.36Å; D138-Q141 WeakPolarHBondContact O-CB 3.46Å; D138-Q141 PolarHBondContact O-N 2.93Å; D138-A142 PolarHBondContact O-N 2.85Å
139F97.3Very high96.4Very high2 Ų223.7 Ų23.71%0.00912%0.123CC..Hα-helixtrans-63.9-25.7173.268-105.9000114F137 Q141 A143 F195 L198 A199 Y202 L209 I211F137-F139 VanDerWaalsContact C-N 3.28Å; F137-F139 HydrophobicContact CB-CD1 3.65Å; F137-F139 HydrophobicContact CB-CD2 4.47Å; F137-F139 HydrophobicContact CB-CE1 3.41Å; F137-F139 VanDerWaalsContact CB-CE1 3.41Å; F137-F139 HydrophobicContact CB-CE2 4.25Å; F137-F139 HydrophobicContact CB-CG 4.2Å; F137-F139 HydrophobicContact CB-CZ 3.73Å; F137-F139 AromaticContact CD2-CE1 3.71Å; F137-F139 HydrophobicContact CD2-CE1 3.71Å; F137-F139 HydrophobicContact CD2-CE2 4.16Å; F137-F139 AromaticContact CD2-CZ 3.35Å; F137-F139 HydrophobicContact CD2-CZ 3.35Å; F137-F139 HydrophobicContact CE2-CZ 4.27Å; F137-F139 HydrophobicContact CG-CD1 4.44Å; F137-F139 AromaticContact CG-CE1 3.71Å; F137-F139 HydrophobicContact CG-CE1 3.71Å; F137-F139 AromaticContact CG-CZ 3.84Å; F137-F139 HydrophobicContact CG-CZ 3.84Å; F137-F139 PolarHBondContact O-N 3.08Å; F139-Q141 VanDerWaalsContact C-N 3.35Å; F139-A143 WeakPolarHBondContact O-CB 3.47Å; F139-A143 PolarHBondContact O-N 3.35Å; F139-F195 HydrophobicContact CD1-CE2 4.38Å; F139-F195 HydrophobicContact CD1-CZ 4.22Å; F139-F195 HydrophobicContact CE1-CD2 4.25Å; F139-F195 AromaticContact CE1-CE2 3.55Å; F139-F195 HydrophobicContact CE1-CE2 3.55Å; F139-F195 AromaticContact CE1-CZ 3.71Å; F139-F195 HydrophobicContact CE1-CZ 3.71Å; F139-F195 HydrophobicContact CZ-CE2 4.42Å; F139-L198 HydrophobicContact CE2-CD2 4.31Å; F139-L198 HydrophobicContact CE2-CG 4.12Å; F139-L198 HydrophobicContact CZ-CD2 3.95Å; F139-L198 HydrophobicContact CZ-CG 3.95Å; F139-A199 HydrophobicContact CD1-CB 4.45Å; F139-A199 HydrophobicContact CE1-CB 4.12Å; F139-A199 HydrophobicContact CZ-CB 4.5Å; F139-Y202 HydrophobicContact CD2-CD1 4.18Å; F139-Y202 HydrophobicContact CD2-CD2 4.04Å; F139-Y202 AromaticContact CD2-CG 3.84Å; F139-Y202 HydrophobicContact CD2-CG 3.84Å; F139-Y202 AromaticContact CE2-CD2 3.68Å; F139-Y202 HydrophobicContact CE2-CD2 3.68Å; F139-Y202 HydrophobicContact CE2-CE2 4.03Å; F139-Y202 AromaticContact CE2-CG 3.98Å; F139-Y202 HydrophobicContact CE2-CG 3.98Å; F139-L209 HydrophobicContact CB-CD2 4.28Å; F139-I211 HydrophobicContact CB-CD1 3.54Å; F139-I211 HydrophobicContact CB-CG1 3.75Å; F139-I211 HydrophobicContact CB-CG2 4.14Å; F139-I211 HydrophobicContact CD1-CD1 4.19Å; F139-I211 HydrophobicContact CD1-CG2 3.96Å; F139-I211 HydrophobicContact CD2-CD1 4.43Å; F139-I211 HydrophobicContact CG-CD1 3.84Å; F139-I211 HydrophobicContact CG-CG1 4.5Å; F139-I211 HydrophobicContact CG-CG2 4.44Å
140H98.3Very high95.9Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-66.6-40.1170.4-68.9152.8000110.5V136 F137 D138 A143 D144 G165 P168 S172 Y202V136-H140 HydrophobicContact CG1-CB 4Å; F137-H140 AromaticContact CD2-CE1 3.5Å; F137-H140 VanDerWaalsContact CD2-CE1 3.5Å; F137-H140 WeakPolarHBondContact CD2-CE1 3.34Å; F137-H140 AromaticContact CD2-ND1 3.84Å; F137-H140 PolarHBondContact N-ND1 2.85Å; F137-H140 VanDerWaalsContact O-CB 3.3Å; F137-H140 WeakPolarHBondContact O-CB 3.46Å; F137-H140 PolarHBondContact O-N 3.5Å; D138-H140 VanDerWaalsContact C-N 3.25Å; D138-H140 PolarHBondContact O-N 3Å; H140-A143 PolarHBondContact O-N 2.99Å; H140-D144 WeakPolarHBondContact O-CB 3.48Å; H140-D144 PolarHBondContact O-N 2.88Å; H140-G165 WeakPolarHBondContact O-CA 3.27Å; H140-P168 HydrophobicContact CB-CB 4.06Å; H140-S172 PolarHBondContact NE2-OG 3.43Å; H140-Y202 AromaticContact CD2-CE1 3.89Å; H140-Y202 AromaticContact CD2-CE2 3.71Å; H140-Y202 AromaticContact CD2-CZ 3.39Å; H140-Y202 PolarHBondContact CD2-OH 3.37Å; H140-Y202 AromaticContact NE2-CE2 3.65Å; H140-Y202 AromaticContact NE2-CZ 3.73Å
141Q97.5Very high95.3Very high39 Ų3932.2 Ų32.218%0.18216%0.158CC..Hα-helixtrans-66.8-43.3177.3-54.7-167.6-13.700111.4H102 V136 F137 D138 F139 D144 G145H102-Q141 PolarHBondContact CD2-NE2 2.94Å; H102-Q141 PolarHBondContact CE1-NE2 2.96Å; H102-Q141 VanDerWaalsContact CG-NE2 3.29Å; H102-Q141 PolarHBondContact ND1-NE2 3.1Å; H102-Q141 PolarHBondContact NE2-NE2 2.98Å; V136-Q141 HydrophobicContact CG1-CG 4.31Å; F137-Q141 PolarHBondContact O-N 3.14Å; D138-Q141 WeakPolarHBondContact O-CA 3.36Å; D138-Q141 WeakPolarHBondContact O-CB 3.46Å; D138-Q141 PolarHBondContact O-N 2.93Å; F139-Q141 VanDerWaalsContact C-N 3.35Å; Q141-D144 WeakPolarHBondContact O-CB 3.14Å; Q141-D144 PolarHBondContact O-N 3.47Å; Q141-G145 PolarHBondContact O-N 2.94Å; Q141-G145 VanDerWaalsContact O-N 3.1Å
142A96.5Very high94.6Very high44 Ų4435 Ų3536%0.36417%0.17SC..Hα-helixtrans-63.6-43.3175.500000111.9D138 D144 G145 I146 L209D138-A142 PolarHBondContact O-N 2.85Å; A142-D144 PolarHBondContact O-N 3.05Å; A142-G145 PolarHBondContact O-N 3.46Å; A142-G145 VanDerWaalsContact O-N 3.16Å; A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 2.83Å; A142-L209 HydrophobicContact CB-CD1 3.39Å
143A96.5Very high93.9Very high0 Ų037.5 Ų37.50%019%0.185CC..Hα-helixtrans-61.4-40.1175.200000112.8F139 H140 G145 I146 Q147 P168 Y202 Y206F139-A143 WeakPolarHBondContact O-CB 3.47Å; F139-A143 PolarHBondContact O-N 3.35Å; H140-A143 PolarHBondContact O-N 2.99Å; A143-G145 VanDerWaalsContact C-N 3.32Å; A143-G145 PolarHBondContact O-N 2.82Å; A143-I146 PolarHBondContact O-N 2.86Å; A143-Q147 WeakPolarHBondContact O-CB 3.43Å; A143-Q147 VanDerWaalsContact O-CG 3.3Å; A143-Q147 WeakPolarHBondContact O-CG 3.32Å; A143-Q147 PolarHBondContact O-N 3.11Å; A143-P168 HydrophobicContact CB-CG 4.36Å; A143-Y202 HydrophobicContact CB-CD1 3.7Å; A143-Y202 HydrophobicContact CB-CE1 3.72Å; A143-Y206 HydrophobicContact CB-CD2 3.98Å; A143-Y206 HydrophobicContact CB-CE2 3.83Å
144D95.5Very high93Very high5 Ų545.2 Ų45.23%0.02722%0.221CC..Hα-helixtrans-58.8-44.1173.3-172-0.3000110.8H140 Q141 A142 I146 Q147 E148 T161 K163 K164 G165 P168H140-D144 WeakPolarHBondContact O-CB 3.48Å; H140-D144 PolarHBondContact O-N 2.88Å; Q141-D144 WeakPolarHBondContact O-CB 3.14Å; Q141-D144 PolarHBondContact O-N 3.47Å; A142-D144 PolarHBondContact O-N 3.05Å; D144-I146 PolarHBondContact O-N 3.15Å; D144-Q147 PolarHBondContact O-N 3.19Å; D144-E148 WeakPolarHBondContact O-CB 3.5Å; D144-E148 PolarHBondContact O-N 2.85Å; D144-T161 VanDerWaalsContact OD1-CB 3.28Å; D144-T161 WeakPolarHBondContact OD1-CB 3.22Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.42Å; D144-T161 PolarHBondContact OD1-OG1 3.42Å; D144-K163 VanDerWaalsContact OD2-CA 3.25Å; D144-K163 WeakPolarHBondContact OD2-CA 3.48Å; D144-K164 PolarHBondContact OD2-N 3.41Å; D144-K164 VanDerWaalsContact OD2-N 3.14Å; D144-G165 PolarHBondContact OD2-N 3.49Å; D144-P168 HydrophobicContact CB-CG 3.93Å
145G93.9Very high91.9Very high18 Ų1847.6 Ų47.619%0.18625%0.245CC..Hα-helixtrans-60-44.2174.100000113.8Q141 A142 A143 E148 Q149Q141-G145 PolarHBondContact O-N 2.94Å; Q141-G145 VanDerWaalsContact O-N 3.1Å; A142-G145 PolarHBondContact O-N 3.46Å; A142-G145 VanDerWaalsContact O-N 3.16Å; A143-G145 VanDerWaalsContact C-N 3.32Å; A143-G145 PolarHBondContact O-N 2.82Å; G145-E148 PolarHBondContact O-N 3.18Å; G145-Q149 PolarHBondContact O-N 2.93Å; G145-Q149 VanDerWaalsContact O-N 3.12Å
146I94.1Very high90.8Very high26 Ų2649.9 Ų49.913%0.13327%0.269CS..Hα-helixtrans-66.2-47.4178.2-66.5166.6000110.8A142 A143 D144 E148 Q149 Q150 Y206 L209A142-I146 WeakPolarHBondContact O-CG1 3.45Å; A142-I146 PolarHBondContact O-N 2.83Å; A143-I146 PolarHBondContact O-N 2.86Å; D144-I146 PolarHBondContact O-N 3.15Å; I146-E148 PolarHBondContact O-N 3.39Å; I146-Q149 PolarHBondContact O-N 3.5Å; I146-Q149 VanDerWaalsContact O-N 3.16Å; I146-Q150 HydrophobicContact CG2-CG 4.28Å; I146-Q150 WeakPolarHBondContact O-CG 3.4Å; I146-Q150 PolarHBondContact O-N 3.09Å; I146-Y206 HydrophobicContact CB-CD1 4.38Å; I146-Y206 HydrophobicContact CG2-CD1 3.68Å; I146-Y206 HydrophobicContact CG2-CE1 4.33Å; I146-Y206 HydrophobicContact CG2-CG 4.39Å; I146-L209 HydrophobicContact CD1-CB 4.11Å; I146-L209 HydrophobicContact CD1-CD1 4.08Å
147Q91.6Very high89.6Confident50 Ų5056.7 Ų56.723%0.23430%0.299CS..Hα-helixtrans-55.6-40.2177-76.7179.7-17.300111.2A143 D144 Q150 R151 Y206A143-Q147 WeakPolarHBondContact O-CB 3.43Å; A143-Q147 VanDerWaalsContact O-CG 3.3Å; A143-Q147 WeakPolarHBondContact O-CG 3.32Å; A143-Q147 PolarHBondContact O-N 3.11Å; D144-Q147 PolarHBondContact O-N 3.19Å; Q147-Q150 PolarHBondContact O-N 2.97Å; Q147-R151 VanDerWaalsContact O-CG 3.28Å; Q147-R151 WeakPolarHBondContact O-CG 3.44Å; Q147-R151 PolarHBondContact O-N 2.91Å; Q147-Y206 HydrophobicContact CG-CE1 3.88Å; Q147-Y206 WeakPolarHBondContact CG-OH 3.1Å; Q147-Y206 PolarHBondContact NE2-OH 2.99Å
148E88.7Confident88.8Confident11 Ų1159.1 Ų59.15%0.05131%0.312CS..Hα-helixtrans-68.8-40.9180176.760.3145.300112.8D144 G145 I146 R151 Q152 N158 L159 G160D144-E148 WeakPolarHBondContact O-CB 3.5Å; D144-E148 PolarHBondContact O-N 2.85Å; G145-E148 PolarHBondContact O-N 3.18Å; I146-E148 PolarHBondContact O-N 3.39Å; E148-R151 PolarHBondContact O-N 2.73Å; E148-Q152 PolarHBondContact O-N 2.88Å; E148-Q152 VanDerWaalsContact O-N 3.12Å; E148-N158 HydrophobicContact CG-CB 4.3Å; E148-N158 WeakPolarHBondContact OE1-CB 3.25Å; E148-N158 PolarHBondContact OE1-ND2 3.47Å; E148-N158 WeakPolarHBondContact OE2-CA 3.28Å; E148-N158 WeakPolarHBondContact OE2-CB 3.45Å; E148-L159 PolarHBondContact OE1-N 2.9Å; E148-L159 VanDerWaalsContact OE1-N 3.12Å; E148-L159 PolarHBondContact OE2-N 3.16Å; E148-G160 WeakPolarHBondContact OE1-CA 3.27Å; E148-G160 PolarHBondContact OE1-N 3.12Å
149Q88.3Confident88Confident117 Ų11758.7 Ų58.755%0.54731%0.309SS..Hα-helixtrans-61.8-46.8173.3179.9178-12.800111.4G145 I146 R151 Q152 E153G145-Q149 PolarHBondContact O-N 2.93Å; G145-Q149 VanDerWaalsContact O-N 3.12Å; I146-Q149 PolarHBondContact O-N 3.5Å; I146-Q149 VanDerWaalsContact O-N 3.16Å; Q149-R151 VanDerWaalsContact C-N 3.33Å; Q149-R151 PolarHBondContact O-N 2.85Å; Q149-Q152 WeakPolarHBondContact O-CB 3.32Å; Q149-Q152 PolarHBondContact O-N 2.99Å; Q149-Q152 VanDerWaalsContact O-N 3.16Å; Q149-E153 HydrophobicContact CG-CG 4.47Å; Q149-E153 VanDerWaalsContact CG-OE1 3.29Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.28Å; Q149-E153 PolarHBondContact NE2-OE1 3.3Å; Q149-E153 WeakPolarHBondContact O-CG 3.29Å; Q149-E153 PolarHBondContact O-N 2.69Å
150Q88.8Confident87.3Confident70 Ų7059.2 Ų59.233%0.32732%0.315SS..Hα-helixtrans-60.8-40.6179.2-72.6177.6-9.500112.3I146 Q147 E153 Q154I146-Q150 HydrophobicContact CG2-CG 4.28Å; I146-Q150 WeakPolarHBondContact O-CG 3.4Å; I146-Q150 PolarHBondContact O-N 3.09Å; Q147-Q150 PolarHBondContact O-N 2.97Å; Q150-E153 PolarHBondContact O-N 2.83Å; Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 VanDerWaalsContact O-CG 3.27Å; Q150-Q154 WeakPolarHBondContact O-CG 3.45Å; Q150-Q154 PolarHBondContact O-N 2.95Å
151R85.4Confident86.7Confident108 Ų10861.3 Ų61.341%0.40833%0.328SS..Hα-helixtrans-61.7-44.3175.1-74.1174.9-172.1-106.43.8111.6Q147 E148 Q149 E153 Q154 A155 K157 L159Q147-R151 VanDerWaalsContact O-CG 3.28Å; Q147-R151 WeakPolarHBondContact O-CG 3.44Å; Q147-R151 PolarHBondContact O-N 2.91Å; E148-R151 PolarHBondContact O-N 2.73Å; Q149-R151 VanDerWaalsContact C-N 3.33Å; Q149-R151 PolarHBondContact O-N 2.85Å; R151-E153 VanDerWaalsContact C-N 3.32Å; R151-E153 PolarHBondContact O-N 3.45Å; R151-Q154 PolarHBondContact O-N 3.16Å; R151-A155 WeakPolarHBondContact O-CB 3.32Å; R151-A155 PolarHBondContact O-N 3.39Å; R151-K157 CarbonylContact C-O 3.33Å; R151-K157 VanDerWaalsContact O-O 3.04Å; R151-L159 VanDerWaalsContact NH1-CD1 3.32Å
152Q84.7Confident86.1Confident88 Ų8861.2 Ų61.241%0.41133%0.33SS..Hα-helixtrans-60.9-41.8176.1-176.859.15000111.9E148 Q149 G156 N158E148-Q152 PolarHBondContact O-N 2.88Å; E148-Q152 VanDerWaalsContact O-N 3.12Å; Q149-Q152 WeakPolarHBondContact O-CB 3.32Å; Q149-Q152 PolarHBondContact O-N 2.99Å; Q149-Q152 VanDerWaalsContact O-N 3.16Å; Q152-G156 VanDerWaalsContact NE2-C 3.35Å; Q152-G156 PolarHBondContact NE2-O 3.01Å; Q152-G156 WeakPolarHBondContact O-CA 3.47Å; Q152-G156 PolarHBondContact O-N 2.82Å; Q152-G156 VanDerWaalsContact O-N 3.1Å; Q152-N158 HydrophobicContact CB-CB 4.22Å
153E82.9Confident85.8Confident131 Ų13164.8 Ų64.861%0.61234%0.337SS*.Hα-helixtrans-69.5-41.5179.1-71.3169.8-177.700112.7Q149 Q150 R151Q149-E153 HydrophobicContact CG-CG 4.47Å; Q149-E153 VanDerWaalsContact CG-OE1 3.29Å; Q149-E153 WeakPolarHBondContact CG-OE1 3.28Å; Q149-E153 PolarHBondContact NE2-OE1 3.3Å; Q149-E153 WeakPolarHBondContact O-CG 3.29Å; Q149-E153 PolarHBondContact O-N 2.69Å; Q150-E153 PolarHBondContact O-N 2.83Å; R151-E153 VanDerWaalsContact C-N 3.32Å; R151-E153 PolarHBondContact O-N 3.45Å
154Q79.9Confident85.8Confident161 Ų16168 Ų6875%0.75235%0.352SS*.Hα-helixtrans-84.6-42.2-174.1-68.8175.2-1.100113.5Q150 R151Q150-Q154 WeakPolarHBondContact O-CB 3.42Å; Q150-Q154 VanDerWaalsContact O-CG 3.27Å; Q150-Q154 WeakPolarHBondContact O-CG 3.45Å; Q150-Q154 PolarHBondContact O-N 2.95Å; R151-Q154 PolarHBondContact O-N 3.16Å
155A76.1Confident85.8Confident72 Ų7267.8 Ų67.860%0.59535%0.35SS*.Hα-helixtrans-108.9-2.2-172.500000113R151 K157R151-A155 WeakPolarHBondContact O-CB 3.32Å; R151-A155 PolarHBondContact O-N 3.39Å; A155-K157 PolarHBondContact O-N 3.46Å
156G76.2Confident86Confident50 Ų5067.3 Ų67.352%0.51534%0.343SS..SBendtrans65.43.9-172.800000113.7Q152Q152-G156 VanDerWaalsContact NE2-C 3.35Å; Q152-G156 PolarHBondContact NE2-O 3.01Å; Q152-G156 WeakPolarHBondContact O-CA 3.47Å; Q152-G156 PolarHBondContact O-N 2.82Å; Q152-G156 VanDerWaalsContact O-N 3.1Å
157K73.6Confident86.1Confident145 Ų14567.1 Ų67.163%0.6335%0.348SS*.  trans-137.4135.8-175-63.9-178.1-176.1176.80109R151 A155R151-K157 CarbonylContact C-O 3.33Å; R151-K157 VanDerWaalsContact O-O 3.04Å; A155-K157 PolarHBondContact O-N 3.46Å
158N81.5Confident86.4Confident54 Ų5464.8 Ų64.829%0.28934%0.337SS..  trans-96.3175.2177.885.1-6.3000108.7E148 Q152 G160 I306E148-N158 HydrophobicContact CG-CB 4.3Å; E148-N158 WeakPolarHBondContact OE1-CB 3.25Å; E148-N158 PolarHBondContact OE1-ND2 3.47Å; E148-N158 WeakPolarHBondContact OE2-CA 3.28Å; E148-N158 WeakPolarHBondContact OE2-CB 3.45Å; Q152-N158 HydrophobicContact CB-CB 4.22Å; N158-G160 PolarHBondContact OD1-N 3.47Å; N158-I306 WeakPolarHBondContact O-CD1 3.43Å
159L81Confident86.9Confident41 Ų4164.3 Ų64.322%0.21534%0.335CS..  trans-92.9-19169.8-78.8-175.6000112.2E148 R151 T161 P267 F268E148-L159 PolarHBondContact OE1-N 2.9Å; E148-L159 VanDerWaalsContact OE1-N 3.12Å; E148-L159 PolarHBondContact OE2-N 3.16Å; R151-L159 VanDerWaalsContact NH1-CD1 3.32Å; L159-T161 HydrophobicContact CB-CG2 3.91Å; L159-P267 HydrophobicContact CD2-CB 4.08Å; L159-P267 HydrophobicContact CD2-CG 4.06Å; L159-F268 HydrophobicContact CD2-CD1 3.79Å; L159-F268 HydrophobicContact CD2-CE1 3.68Å
160G82.9Confident87.3Confident13 Ų1360 Ų6013%0.13431%0.314CS..  trans7632.2-175.200000113.4E148 N158 R334E148-G160 WeakPolarHBondContact OE1-CA 3.27Å; E148-G160 PolarHBondContact OE1-N 3.12Å; N158-G160 PolarHBondContact OD1-N 3.47Å; G160-R334 PolarHBondContact O-NH2 2.96Å
161T84.8Confident87.7Confident45 Ų4560.2 Ų60.228%0.27632%0.323SS..  trans-59.8160.8179.982.40000111.4D144 L159 K163D144-T161 VanDerWaalsContact OD1-CB 3.28Å; D144-T161 WeakPolarHBondContact OD1-CB 3.22Å; D144-T161 WeakPolarHBondContact OD1-CG2 3.42Å; D144-T161 PolarHBondContact OD1-OG1 3.42Å; L159-T161 HydrophobicContact CB-CG2 3.91Å; T161-K163 PolarHBondContact O-N 3.26Å; T161-K163 PolarHBondContact OG1-N 2.87Å
162T84.3Confident88.3Confident37 Ų3755.2 Ų55.223%0.22731%0.305CS..  trans-81.1-1175.755.90000112.8N65 K164 T332N65-T162 HydrophobicContact CB-CG2 3.92Å; N65-T162 WeakPolarHBondContact CB-OG1 3.02Å; T162-K164 PolarHBondContact O-N 3.04Å; T162-K164 WeakPolarHBondContact OG1-CB 3.31Å; T162-K164 WeakPolarHBondContact OG1-CG 3.36Å; T162-T332 HydrophobicContact CG2-CG2 4.07Å
163K92.1Very high88.9Confident118 Ų11854.4 Ų54.451%0.51330%0.3SS..SBendtrans54.733.3-174.1-54.1-177.2-179.4-173.40112.7D144 T161D144-K163 VanDerWaalsContact OD2-CA 3.25Å; D144-K163 WeakPolarHBondContact OD2-CA 3.48Å; T161-K163 PolarHBondContact O-N 3.26Å; T161-K163 PolarHBondContact OG1-N 2.87Å
164K95Very high89.6Confident69 Ų6952.1 Ų52.130%0.330%0.304SS..SBendtrans-99.86.8-179.3-66.2-56.4-175-179.20112.6N64 V136 D144 T162 I166N64-K164 WeakPolarHBondContact OD1-CB 3.4Å; V136-K164 WeakPolarHBondContact CG1-O 3.37Å; D144-K164 PolarHBondContact OD2-N 3.41Å; D144-K164 VanDerWaalsContact OD2-N 3.14Å; T162-K164 PolarHBondContact O-N 3.04Å; T162-K164 WeakPolarHBondContact OG1-CB 3.31Å; T162-K164 WeakPolarHBondContact OG1-CG 3.36Å; K164-I166 VanDerWaalsContact C-N 3.29Å; K164-I166 HydrophobicContact CB-CD1 4.32Å; K164-I166 HydrophobicContact CB-CG1 4.14Å; K164-I166 PolarHBondContact O-N 2.98Å
165G97Very high90.4Very high0 Ų047.4 Ų47.40%029%0.292CS..SBendtrans78.113.3175.400000114H140 D144 V169H140-G165 WeakPolarHBondContact O-CA 3.27Å; D144-G165 PolarHBondContact OD2-N 3.49Å; G165-V169 WeakPolarHBondContact O-CB 3.48Å; G165-V169 WeakPolarHBondContact O-CG1 3.17Å; G165-V169 PolarHBondContact O-N 3.14Å
166I97Very high91.4Very high7 Ų754.9 Ų54.94%0.03631%0.305CS..Hα-helixtrans-65.4-49.8-175.4-53.8-57.5000111.2N65 V100 K164 V169 Y170N65-I166 HydrophobicContact CB-CD1 4.25Å; N65-I166 HydrophobicContact CB-CG1 3.68Å; V100-I166 HydrophobicContact CG2-CD1 3.75Å; K164-I166 VanDerWaalsContact C-N 3.29Å; K164-I166 HydrophobicContact CB-CD1 4.32Å; K164-I166 HydrophobicContact CB-CG1 4.14Å; K164-I166 PolarHBondContact O-N 2.98Å; I166-V169 VanDerWaalsContact O-CG1 3.26Å; I166-V169 WeakPolarHBondContact O-CG1 3.41Å; I166-Y170 HydrophobicContact CG2-CD2 3.78Å; I166-Y170 HydrophobicContact CG2-CE2 3.91Å; I166-Y170 WeakPolarHBondContact O-CB 3.38Å; I166-Y170 VanDerWaalsContact O-CD2 3.31Å; I166-Y170 WeakPolarHBondContact O-CD2 3.28Å; I166-Y170 PolarHBondContact O-N 3.25Å
167G96.2Very high92.4Very high23 Ų2354.2 Ų54.224%0.23729%0.292CS..Hα-helixtrans-58-55.4176.500000112.3V169 Y170 S171 S271G167-V169 PolarHBondContact O-N 3.16Å; G167-Y170 PolarHBondContact O-N 3.1Å; G167-S171 WeakPolarHBondContact O-CB 3.35Å; G167-S171 PolarHBondContact O-N 3.45Å; G167-S271 VanDerWaalsContact CA-OG 3.32Å; G167-S271 WeakPolarHBondContact CA-OG 3.5Å
168P97.7Very high93.5Very high1 Ų148 Ų481%0.00627%0.27CS..Hα-helixtrans-53-48.4176.7-33.539.9000114.5H140 A143 D144 Y170 S171 S172 Y202H140-P168 HydrophobicContact CB-CB 4.06Å; A143-P168 HydrophobicContact CB-CG 4.36Å; D144-P168 HydrophobicContact CB-CG 3.93Å; P168-Y170 PolarHBondContact O-N 3.36Å; P168-S171 WeakPolarHBondContact O-CB 3.34Å; P168-S171 PolarHBondContact O-N 3.01Å; P168-S172 PolarHBondContact O-N 2.65Å; P168-S172 PolarHBondContact O-OG 2.92Å; P168-S172 VanDerWaalsContact O-OG 3.08Å; P168-Y202 HydrophobicContact CB-CE1 4.05Å; P168-Y202 WeakPolarHBondContact CB-OH 3.21Å; P168-Y202 PolarHBondContact O-OH 3.49Å
169V98.6Very high94.3Very high1 Ų145.8 Ų45.81%0.00626%0.257CS..Hα-helixtrans-68-38.4-17969.60000112.9V100 H134 I135 V136 G165 I166 G167 S171 S172 K173V100-V169 HydrophobicContact CB-CG1 3.67Å; V100-V169 HydrophobicContact CB-CG2 4.29Å; V100-V169 HydrophobicContact CG1-CG1 3.81Å; V100-V169 HydrophobicContact CG1-CG2 4.32Å; V100-V169 HydrophobicContact CG2-CG1 3.57Å; H134-V169 HydrophobicContact CB-CG2 4.17Å; I135-V169 VanDerWaalsContact O-CG2 3.27Å; I135-V169 WeakPolarHBondContact O-CG2 3.37Å; V136-V169 HydrophobicContact CG2-CB 4.28Å; V136-V169 HydrophobicContact CG2-CG1 3.92Å; V136-V169 HydrophobicContact CG2-CG2 4.27Å; G165-V169 WeakPolarHBondContact O-CB 3.48Å; G165-V169 WeakPolarHBondContact O-CG1 3.17Å; G165-V169 PolarHBondContact O-N 3.14Å; I166-V169 VanDerWaalsContact O-CG1 3.26Å; I166-V169 WeakPolarHBondContact O-CG1 3.41Å; G167-V169 PolarHBondContact O-N 3.16Å; V169-S171 VanDerWaalsContact C-N 3.31Å; V169-S172 PolarHBondContact O-N 3.44Å; V169-K173 WeakPolarHBondContact O-CB 3.25Å; V169-K173 PolarHBondContact O-N 3.26Å
170Y98.1Very high95.2Very high27 Ų2748 Ų4811%0.10626%0.263CS..Hα-helixtrans-68.9-33.2175.3-89.9-90.1000111.5G62 G98 V100 I166 G167 P168 K173 A174 S271 S272G62-Y170 PolarHBondContact N-OH 3.31Å; G98-Y170 PolarHBondContact O-OH 2.87Å; V100-Y170 HydrophobicContact CB-CE2 4.14Å; V100-Y170 HydrophobicContact CG1-CD2 3.69Å; V100-Y170 HydrophobicContact CG1-CE1 4.43Å; V100-Y170 HydrophobicContact CG1-CE2 3.33Å; V100-Y170 HydrophobicContact CG1-CG 4.38Å; V100-Y170 HydrophobicContact CG2-CD2 4.1Å; V100-Y170 HydrophobicContact CG2-CE2 3.64Å; I166-Y170 HydrophobicContact CG2-CD2 3.78Å; I166-Y170 HydrophobicContact CG2-CE2 3.91Å; I166-Y170 WeakPolarHBondContact O-CB 3.38Å; I166-Y170 VanDerWaalsContact O-CD2 3.31Å; I166-Y170 WeakPolarHBondContact O-CD2 3.28Å; I166-Y170 PolarHBondContact O-N 3.25Å; G167-Y170 PolarHBondContact O-N 3.1Å; P168-Y170 PolarHBondContact O-N 3.36Å; Y170-K173 HydrophobicContact CD1-CD 4.34Å; Y170-K173 WeakPolarHBondContact O-CB 3.28Å; Y170-K173 PolarHBondContact O-N 3.39Å; Y170-A174 PolarHBondContact O-N 3.35Å; Y170-S271 WeakPolarHBondContact CD1-O 3.41Å; Y170-S271 WeakPolarHBondContact CE1-O 3.37Å; Y170-S271 VanDerWaalsContact CG-O 3.24Å; Y170-S272 VanDerWaalsContact CZ-CB 3.47Å; Y170-S272 WeakPolarHBondContact OH-CB 3.21Å
171S97.1Very high95.9Very high74 Ų7447.4 Ų47.452%0.51726%0.257SS..Hα-helixtrans-64-47.1170.4-175.20000111.2G167 P168 V169 K173 A174 A175G167-S171 WeakPolarHBondContact O-CB 3.35Å; G167-S171 PolarHBondContact O-N 3.45Å; P168-S171 WeakPolarHBondContact O-CB 3.34Å; P168-S171 PolarHBondContact O-N 3.01Å; V169-S171 VanDerWaalsContact C-N 3.31Å; S171-K173 VanDerWaalsContact C-N 3.29Å; S171-K173 PolarHBondContact O-N 3.18Å; S171-A174 PolarHBondContact O-N 3.08Å; S171-A174 VanDerWaalsContact O-N 3.16Å; S171-A175 VanDerWaalsContact O-CB 3.29Å; S171-A175 WeakPolarHBondContact O-CB 3.35Å; S171-A175 PolarHBondContact O-N 2.73Å
172S97.8Very high96.6Very high3 Ų346.4 Ų46.42%0.02125%0.251CS..Hα-helixtrans-58.5-40.1174.1-58.90000111.8H140 P168 V169 A175 R176 S177 G178 Y202H140-S172 PolarHBondContact NE2-OG 3.43Å; P168-S172 PolarHBondContact O-N 2.65Å; P168-S172 PolarHBondContact O-OG 2.92Å; P168-S172 VanDerWaalsContact O-OG 3.08Å; V169-S172 PolarHBondContact O-N 3.44Å; S172-A175 PolarHBondContact O-N 3.49Å; S172-R176 PolarHBondContact O-N 2.69Å; S172-S177 PolarHBondContact O-N 2.92Å; S172-S177 PolarHBondContact O-OG 3.23Å; S172-G178 PolarHBondContact O-N 3.2Å; S172-Y202 PolarHBondContact OG-OH 2.89Å
173K97.6Very high97.2Very high70 Ų7045.5 Ų45.530%0.30425%0.245SC..Hα-helixtrans-58.4-52.4172.9170176.3177.4-178.30111.3H134 V169 Y170 S171 A175 R176H134-K173 WeakPolarHBondContact NE2-CG 3.48Å; V169-K173 WeakPolarHBondContact O-CB 3.25Å; V169-K173 PolarHBondContact O-N 3.26Å; Y170-K173 HydrophobicContact CD1-CD 4.34Å; Y170-K173 WeakPolarHBondContact O-CB 3.28Å; Y170-K173 PolarHBondContact O-N 3.39Å; S171-K173 VanDerWaalsContact C-N 3.29Å; S171-K173 PolarHBondContact O-N 3.18Å; K173-A175 VanDerWaalsContact C-N 3.33Å; K173-A175 PolarHBondContact O-N 3.43Å; K173-R176 PolarHBondContact O-N 2.89Å; K173-R176 VanDerWaalsContact O-N 3.09Å
174A97.5Very high97.5Very high84 Ų8439.9 Ų39.969%0.69422%0.221SC*.Hα-helixtrans-66-35.3-179.700000112.6Y170 S171 R176Y170-A174 PolarHBondContact O-N 3.35Å; S171-A174 PolarHBondContact O-N 3.08Å; S171-A174 VanDerWaalsContact O-N 3.16Å; A174-R176 PolarHBondContact O-N 3Å
175A96.9Very high97.7Very high61 Ų6137.4 Ų37.450%0.50421%0.211SC..Hα-helixtrans-73.1-10.6174.400000113.3S171 S172 K173 S177S171-A175 VanDerWaalsContact O-CB 3.29Å; S171-A175 WeakPolarHBondContact O-CB 3.35Å; S171-A175 PolarHBondContact O-N 2.73Å; S172-A175 PolarHBondContact O-N 3.49Å; K173-A175 VanDerWaalsContact C-N 3.33Å; K173-A175 PolarHBondContact O-N 3.43Å; A175-S177 VanDerWaalsContact C-N 3.26Å; A175-S177 PolarHBondContact O-N 3.06Å
176R97Very high97.6Very high229 Ų22942.3 Ų42.386%0.86425%0.245SC*.THydrogen-bonded Turntrans64.228.1-176.2-45.7167.6-62.6175.13.5113.3S172 K173 A174S172-R176 PolarHBondContact O-N 2.69Å; K173-R176 PolarHBondContact O-N 2.89Å; K173-R176 VanDerWaalsContact O-N 3.09Å; A174-R176 PolarHBondContact O-N 3Å
177S96Very high97.5Very high37 Ų3745.6 Ų45.626%0.25926%0.263SS..  trans-107-9.4173.761.50000112.9S172 A175S172-S177 PolarHBondContact O-N 2.92Å; S172-S177 PolarHBondContact O-OG 3.23Å; A175-S177 VanDerWaalsContact C-N 3.26Å; A175-S177 PolarHBondContact O-N 3.06Å
178G97.5Very high97.6Very high15 Ų1545.9 Ų45.916%0.15526%0.258CS..  trans-67.4153.5177.300000113.4S172S172-G178 PolarHBondContact O-N 3.2Å
179L98.7Very high97.6Very high6 Ų651.6 Ų51.63%0.03129%0.289CS..  trans-109.9144.3178.2-63.3175.6000111H134 I135 F137 F191 R194 F195H134-L179 WeakPolarHBondContact CA-O 3.22Å; I135-L179 PolarHBondContact N-O 3.26Å; F137-L179 HydrophobicContact CE2-CB 4.15Å; F137-L179 HydrophobicContact CE2-CD1 4.05Å; F137-L179 HydrophobicContact CE2-CG 4.41Å; F137-L179 HydrophobicContact CZ-CB 3.94Å; F137-L179 HydrophobicContact CZ-CD1 3.89Å; F137-L179 HydrophobicContact CZ-CG 4.42Å; L179-F191 HydrophobicContact CB-CD2 4.41Å; L179-F191 HydrophobicContact CB-CE2 3.92Å; L179-F191 HydrophobicContact CD1-CD2 4Å; L179-F191 HydrophobicContact CD1-CE2 3.69Å; L179-F191 HydrophobicContact CD1-CZ 4.18Å; L179-F191 HydrophobicContact CG-CE2 4.36Å; L179-R194 HydrophobicContact CD1-CB 4.38Å; L179-R194 HydrophobicContact CD2-CB 3.72Å; L179-F195 HydrophobicContact CD1-CB 3.91Å
180R98.7Very high97.5Very high88 Ų8852.5 Ų52.533%0.33230%0.298SS..BIsolated β-bridgetrans-116168.7-174.5-60.2175.8-61.3168.23.5112.2R132 A133 C182 D183 L184R132-R180 WeakPolarHBondContact O-CD 3.35Å; A133-R180 CarbonylContact O-C 3.56Å; A133-R180 WeakPolarHBondContact O-CA 3.49Å; A133-R180 WeakPolarHBondContact O-CB 3.39Å; R180-C182 VanDerWaalsContact C-N 3.27Å; R180-C182 PolarHBondContact O-N 2.87Å; R180-D183 WeakPolarHBondContact CB-OD2 3.34Å; R180-D183 PolarHBondContact N-OD2 3.34Å; R180-D183 IonicContact NE-OD2 3.85Å; R180-D183 WeakPolarHBondContact O-CB 3.48Å; R180-D183 PolarHBondContact O-N 3.48Å; R180-L184 PolarHBondContact O-N 3.33Å
181M98.7Very high97.5Very high0 Ų051.2 Ų51.20%029%0.293CS..Hα-helixtrans-56.6-39177.4-69.3-59.8168.200112.8I101 L103 I129 D131 A133 I135 D183 L184 V185 V231I101-M181 HydrophobicContact CB-CE 3.59Å; I101-M181 HydrophobicContact CD1-CE 3.71Å; I101-M181 HydrophobicContact CG1-CE 4.21Å; I101-M181 HydrophobicContact CG2-CE 3.71Å; L103-M181 HydrophobicContact CD2-CE 3.71Å; L103-M181 HydrophobicContact CD2-SD 4.31Å; L103-M181 HydrophobicContact CG-CE 4.11Å; I129-M181 HydrophobicContact CG2-CG 3.98Å; D131-M181 PolarHBondContact O-N 3.23Å; A133-M181 HydrophobicContact CB-CG 4.26Å; A133-M181 PolarHBondContact O-N 3.37Å; I135-M181 HydrophobicContact CD1-CE 4.44Å; I135-M181 HydrophobicContact CD1-SD 4.08Å; I135-M181 HydrophobicContact CG1-CE 3.67Å; I135-M181 HydrophobicContact CG1-SD 3.88Å; M181-D183 VanDerWaalsContact C-N 3.29Å; M181-D183 PolarHBondContact O-N 3.19Å; M181-L184 PolarHBondContact O-N 3.46Å; M181-V185 VanDerWaalsContact O-CG2 3.29Å; M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.08Å; M181-V231 HydrophobicContact CB-CG1 4.18Å; M181-V231 HydrophobicContact CB-CG2 4.25Å
182C98.3Very high97.6Very high24 Ų2448.2 Ų48.216%0.16227%0.272CS..Hα-helixtrans-59.9-39.6175.664.10000112.2D131 R180 L184 S186D131-C182 HydrophobicContact CB-CB 4.06Å; D131-C182 VanDerWaalsContact O-CB 3.32Å; D131-C182 WeakPolarHBondContact O-CB 3.31Å; D131-C182 PolarHBondContact O-N 2.91Å; R180-C182 VanDerWaalsContact C-N 3.27Å; R180-C182 PolarHBondContact O-N 2.87Å; C182-L184 VanDerWaalsContact C-N 3.34Å; C182-S186 WeakPolarHBondContact O-CB 3.24Å; C182-S186 PolarHBondContact O-N 3.49Å; C182-S186 VanDerWaalsContact O-N 3.14Å; C182-S186 PolarHBondContact O-OG 2.81Å; C182-S186 VanDerWaalsContact O-OG 3.09Å
183D98.2Very high97.6Very high18 Ų1853.2 Ų53.210%0.09630%0.295CS..Hα-helixtrans-64.3-45.1179.6-56.8-61.9000109.7R180 M181 F191 R194R180-D183 WeakPolarHBondContact CB-OD2 3.34Å; R180-D183 PolarHBondContact N-OD2 3.34Å; R180-D183 IonicContact NE-OD2 3.85Å; R180-D183 WeakPolarHBondContact O-CB 3.48Å; R180-D183 PolarHBondContact O-N 3.48Å; M181-D183 VanDerWaalsContact C-N 3.29Å; M181-D183 PolarHBondContact O-N 3.19Å; D183-F191 HydrophobicContact CB-CD2 3.98Å; D183-R194 IonicContact OD1-CZ 3.55Å; D183-R194 IonicContact OD1-NH1 2.75Å; D183-R194 PolarHBondContact OD1-NH1 2.93Å; D183-R194 IonicContact OD1-NH2 3.59Å
184L98.5Very high97.7Very high0 Ų055 Ų550%030%0.3CS..Hα-helixtrans-63.7-48.4179.4178.966.9000112.9L103 I135 R180 M181 C182 F188 F191 L220 M224 I227L103-L184 HydrophobicContact CD1-CD2 3.56Å; I135-L184 HydrophobicContact CD1-CB 3.82Å; I135-L184 HydrophobicContact CD1-CD2 3.96Å; I135-L184 HydrophobicContact CD1-CG 4.46Å; R180-L184 PolarHBondContact O-N 3.33Å; M181-L184 PolarHBondContact O-N 3.46Å; C182-L184 VanDerWaalsContact C-N 3.34Å; L184-F188 HydrophobicContact CD1-CD2 3.99Å; L184-F188 HydrophobicContact CD1-CE2 3.93Å; L184-F191 HydrophobicContact CB-CD2 4.02Å; L184-F191 HydrophobicContact CB-CE2 3.96Å; L184-F191 HydrophobicContact CB-CZ 4.45Å; L184-F191 HydrophobicContact CD1-CD1 3.93Å; L184-F191 HydrophobicContact CD1-CD2 4.37Å; L184-F191 HydrophobicContact CD1-CE1 3.69Å; L184-F191 HydrophobicContact CD1-CE2 4.14Å; L184-F191 HydrophobicContact CD1-CG 4.27Å; L184-F191 HydrophobicContact CD1-CZ 3.81Å; L184-L220 HydrophobicContact CD1-CB 4.43Å; L184-M224 HydrophobicContact CD1-CB 4.16Å; L184-M224 HydrophobicContact CD1-CG 4.43Å; L184-M224 HydrophobicContact CD2-CB 4.42Å; L184-M224 HydrophobicContact CG-CB 4.12Å; L184-M224 HydrophobicContact CG-CG 4.14Å; L184-I227 HydrophobicContact CD2-CG2 4.46Å
185V97.8Very high97.7Very high18 Ų1851 Ų5111%0.10927%0.267CS..Hα-helixtrans-87-17.3-168.5-57.20000114.5M181 I227 K228 V231M181-V185 VanDerWaalsContact O-CG2 3.29Å; M181-V185 WeakPolarHBondContact O-CG2 3.46Å; M181-V185 PolarHBondContact O-N 3.08Å; V185-I227 HydrophobicContact CG1-CG2 4.07Å; V185-K228 HydrophobicContact CB-CB 4.49Å; V185-K228 HydrophobicContact CB-CG 4.31Å; V185-K228 HydrophobicContact CG1-CB 4.29Å; V185-V231 HydrophobicContact CG1-CB 4.45Å; V185-V231 HydrophobicContact CG1-CG2 4.06Å; V185-V231 HydrophobicContact CG2-CB 4.43Å; V185-V231 HydrophobicContact CG2-CG1 4.09Å
186S95.1Very high97.8Very high102 Ų10251.3 Ų51.371%0.71326%0.256SS*.Hα-helixtrans-94.1-42-178-62.20000113.5C182C182-S186 WeakPolarHBondContact O-CB 3.24Å; C182-S186 PolarHBondContact O-N 3.49Å; C182-S186 VanDerWaalsContact O-N 3.14Å; C182-S186 PolarHBondContact O-OG 2.81Å; C182-S186 VanDerWaalsContact O-OG 3.09Å
187D96Very high97.8Very high76 Ų7644.3 Ų44.341%0.40624%0.239SC..  trans-147.691.6-174.5172.817.1000110.3D189 G190 F191D187-D189 VanDerWaalsContact C-N 3.31Å; D187-D189 PolarHBondContact O-N 2.83Å; D187-D189 PolarHBondContact OD1-N 2.87Å; D187-G190 PolarHBondContact OD1-N 3.31Å; D187-G190 WeakPolarHBondContact OD2-CA 3.45Å; D187-G190 PolarHBondContact OD2-N 3.15Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 3.24Å
188F97.2Very high97.9Very high30 Ų3042.7 Ų42.713%0.13223%0.228CC..Hα-helixtrans-67.6-31.3-175.9-169.4-97.2000112.9L184 F191 S192 L217 K221 M224L184-F188 HydrophobicContact CD1-CD2 3.99Å; L184-F188 HydrophobicContact CD1-CE2 3.93Å; F188-F191 HydrophobicContact CD2-CD1 4.32Å; F188-F191 HydrophobicContact CE2-CD1 4.18Å; F188-F191 HydrophobicContact CE2-CE1 4.47Å; F188-S192 VanDerWaalsContact CE1-OG 3.31Å; F188-S192 WeakPolarHBondContact CE1-OG 3.46Å; F188-S192 VanDerWaalsContact O-CB 3.31Å; F188-S192 WeakPolarHBondContact O-CB 3.43Å; F188-S192 PolarHBondContact O-N 3.34Å; F188-S192 PolarHBondContact O-OG 3.19Å; F188-L217 WeakPolarHBondContact CZ-O 3.24Å; F188-K221 HydrophobicContact CD1-CD 4.28Å; F188-K221 HydrophobicContact CD1-CG 4.44Å; F188-K221 HydrophobicContact CE1-CB 4.08Å; F188-K221 HydrophobicContact CE1-CD 3.88Å; F188-K221 HydrophobicContact CE1-CG 4.07Å; F188-K221 HydrophobicContact CE2-CB 3.85Å; F188-K221 HydrophobicContact CE2-CG 4.23Å; F188-K221 HydrophobicContact CZ-CB 3.53Å; F188-K221 HydrophobicContact CZ-CD 4.23Å; F188-K221 HydrophobicContact CZ-CG 3.97Å; F188-M224 HydrophobicContact CB-CE 4.43Å; F188-M224 HydrophobicContact CB-SD 3.89Å; F188-M224 HydrophobicContact CD2-CE 4.33Å; F188-M224 HydrophobicContact CD2-SD 3.54Å; F188-M224 VanDerWaalsContact CD2-SD 3.54Å; F188-M224 HydrophobicContact CE2-SD 4.49Å; F188-M224 HydrophobicContact CG-CE 4.49Å; F188-M224 HydrophobicContact CG-SD 4.03Å
189D97.6Very high98Very high121 Ų12142 Ų4265%0.64722%0.22SC*.Hα-helixtrans-72.3-48.8179.9-65.9-26.1000109.8D187 F191 S192 E193D187-D189 VanDerWaalsContact C-N 3.31Å; D187-D189 PolarHBondContact O-N 2.83Å; D187-D189 PolarHBondContact OD1-N 2.87Å; D189-F191 VanDerWaalsContact C-N 3.29Å; D189-F191 PolarHBondContact O-N 3.09Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 2.84Å; D189-S192 VanDerWaalsContact O-N 3.12Å; D189-E193 PolarHBondContact O-N 2.8Å; D189-E193 VanDerWaalsContact O-N 3.12Å
190G98Very high97.9Very high19 Ų1945.6 Ų45.620%0.19624%0.24CC..Hα-helixtrans-65.8-29.7174.100000113.5D187 R194D187-G190 PolarHBondContact OD1-N 3.31Å; D187-G190 WeakPolarHBondContact OD2-CA 3.45Å; D187-G190 PolarHBondContact OD2-N 3.15Å; G190-R194 WeakPolarHBondContact O-CG 3.47Å; G190-R194 PolarHBondContact O-N 3.18Å; G190-R194 PolarHBondContact O-NE 3.19Å
191F98.4Very high97.7Very high0 Ų045.6 Ų45.60%024%0.243CC..Hα-helixtrans-64.3-46.7168.6171.6-91.5000111.3I135 F137 L179 D183 L184 D187 F188 D189 E193 R194 F195 L217 L220I135-F191 HydrophobicContact CD1-CE2 4.02Å; I135-F191 HydrophobicContact CD1-CZ 4.45Å; F137-F191 AromaticContact CE1-CZ 3.9Å; F137-F191 HydrophobicContact CE1-CZ 3.9Å; F137-F191 HydrophobicContact CZ-CE2 4.15Å; F137-F191 AromaticContact CZ-CZ 3.87Å; F137-F191 HydrophobicContact CZ-CZ 3.87Å; L179-F191 HydrophobicContact CB-CD2 4.41Å; L179-F191 HydrophobicContact CB-CE2 3.92Å; L179-F191 HydrophobicContact CD1-CD2 4Å; L179-F191 HydrophobicContact CD1-CE2 3.69Å; L179-F191 HydrophobicContact CD1-CZ 4.18Å; L179-F191 HydrophobicContact CG-CE2 4.36Å; D183-F191 HydrophobicContact CB-CD2 3.98Å; L184-F191 HydrophobicContact CB-CD2 4.02Å; L184-F191 HydrophobicContact CB-CE2 3.96Å; L184-F191 HydrophobicContact CB-CZ 4.45Å; L184-F191 HydrophobicContact CD1-CD1 3.93Å; L184-F191 HydrophobicContact CD1-CD2 4.37Å; L184-F191 HydrophobicContact CD1-CE1 3.69Å; L184-F191 HydrophobicContact CD1-CE2 4.14Å; L184-F191 HydrophobicContact CD1-CG 4.27Å; L184-F191 HydrophobicContact CD1-CZ 3.81Å; D187-F191 WeakPolarHBondContact O-CB 3.47Å; D187-F191 PolarHBondContact O-N 3.24Å; F188-F191 HydrophobicContact CD2-CD1 4.32Å; F188-F191 HydrophobicContact CE2-CD1 4.18Å; F188-F191 HydrophobicContact CE2-CE1 4.47Å; D189-F191 VanDerWaalsContact C-N 3.29Å; D189-F191 PolarHBondContact O-N 3.09Å; F191-E193 VanDerWaalsContact C-N 3.35Å; F191-E193 PolarHBondContact O-N 2.86Å; F191-R194 PolarHBondContact O-N 3.16Å; F191-F195 HydrophobicContact CE1-CB 4.34Å; F191-F195 HydrophobicContact CE1-CD2 4.49Å; F191-F195 HydrophobicContact CZ-CD2 4.41Å; F191-F195 WeakPolarHBondContact O-CB 3.46Å; F191-F195 PolarHBondContact O-N 2.99Å; F191-L217 HydrophobicContact CD1-CD2 4.37Å; F191-L217 HydrophobicContact CE1-CD2 4.09Å; F191-L220 HydrophobicContact CE1-CD1 3.99Å; F191-L220 HydrophobicContact CZ-CD1 4.07Å
192S98.6Very high97.7Very high11 Ų1146.3 Ų46.38%0.07725%0.246CC..Hα-helixtrans-61.3-41.6-177-64.70000112.2F188 D189 F195 K196F188-S192 VanDerWaalsContact CE1-OG 3.31Å; F188-S192 WeakPolarHBondContact CE1-OG 3.46Å; F188-S192 VanDerWaalsContact O-CB 3.31Å; F188-S192 WeakPolarHBondContact O-CB 3.43Å; F188-S192 PolarHBondContact O-N 3.34Å; F188-S192 PolarHBondContact O-OG 3.19Å; D189-S192 WeakPolarHBondContact O-CB 3.5Å; D189-S192 PolarHBondContact O-N 2.84Å; D189-S192 VanDerWaalsContact O-N 3.12Å; S192-F195 PolarHBondContact O-N 3.07Å; S192-K196 VanDerWaalsContact O-CG 3.29Å; S192-K196 WeakPolarHBondContact O-CG 3.09Å; S192-K196 PolarHBondContact O-N 2.86Å
193E98.4Very high97.6Very high108 Ų10848.5 Ų48.551%0.50525%0.253SS..Hα-helixtrans-64.4-43.7176.2-67.7-52.6116.700112.1D189 F191 F195 K196 V197D189-E193 PolarHBondContact O-N 2.8Å; D189-E193 VanDerWaalsContact O-N 3.12Å; F191-E193 VanDerWaalsContact C-N 3.35Å; F191-E193 PolarHBondContact O-N 2.86Å; E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 2.97Å; E193-K196 PolarHBondContact O-N 2.94Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 3.49Å; E193-V197 WeakPolarHBondContact O-CG2 3.16Å; E193-V197 PolarHBondContact O-N 2.61Å; E193-V197 VanDerWaalsContact O-N 3.11Å
194R98.3Very high97.4Very high109 Ų10952.3 Ų52.341%0.41128%0.281SS..Hα-helixtrans-68.1-34.3177-66.8179.9-92.5170.3-6.7112.2L179 D183 G190 F191 V197 L198L179-R194 HydrophobicContact CD1-CB 4.38Å; L179-R194 HydrophobicContact CD2-CB 3.72Å; D183-R194 IonicContact OD1-CZ 3.55Å; D183-R194 IonicContact OD1-NH1 2.75Å; D183-R194 PolarHBondContact OD1-NH1 2.93Å; D183-R194 IonicContact OD1-NH2 3.59Å; G190-R194 WeakPolarHBondContact O-CG 3.47Å; G190-R194 PolarHBondContact O-N 3.18Å; G190-R194 PolarHBondContact O-NE 3.19Å; F191-R194 PolarHBondContact O-N 3.16Å; R194-V197 PolarHBondContact O-N 3.06Å; R194-L198 PolarHBondContact O-N 3.22Å
195F98.6Very high97.2Very high0 Ų057.3 Ų57.30%031%0.306CS..Hα-helixtrans-62.3-47.3173.8175.9-87.3000111.3F137 F139 L179 F191 S192 E193 V197 L198 A199 I213 E216 L217 L220F137-F195 HydrophobicContact CB-CE2 4.35Å; F137-F195 HydrophobicContact CD1-CD2 4.05Å; F137-F195 AromaticContact CD1-CE2 3.59Å; F137-F195 HydrophobicContact CD1-CE2 3.59Å; F137-F195 HydrophobicContact CD2-CD2 4.29Å; F137-F195 HydrophobicContact CD2-CE2 4.16Å; F137-F195 AromaticContact CE1-CD2 3.8Å; F137-F195 HydrophobicContact CE1-CD2 3.8Å; F137-F195 AromaticContact CE1-CE2 3.81Å; F137-F195 HydrophobicContact CE1-CE2 3.81Å; F137-F195 HydrophobicContact CE2-CD2 4.06Å; F137-F195 HydrophobicContact CE2-CE2 4.36Å; F137-F195 HydrophobicContact CG-CD2 4.28Å; F137-F195 AromaticContact CG-CE2 3.77Å; F137-F195 HydrophobicContact CG-CE2 3.77Å; F137-F195 AromaticContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CD2 3.8Å; F137-F195 HydrophobicContact CZ-CE2 4.2Å; F139-F195 HydrophobicContact CD1-CE2 4.38Å; F139-F195 HydrophobicContact CD1-CZ 4.22Å; F139-F195 HydrophobicContact CE1-CD2 4.25Å; F139-F195 AromaticContact CE1-CE2 3.55Å; F139-F195 HydrophobicContact CE1-CE2 3.55Å; F139-F195 AromaticContact CE1-CZ 3.71Å; F139-F195 HydrophobicContact CE1-CZ 3.71Å; F139-F195 HydrophobicContact CZ-CE2 4.42Å; L179-F195 HydrophobicContact CD1-CB 3.91Å; F191-F195 HydrophobicContact CE1-CB 4.34Å; F191-F195 HydrophobicContact CE1-CD2 4.49Å; F191-F195 HydrophobicContact CZ-CD2 4.41Å; F191-F195 WeakPolarHBondContact O-CB 3.46Å; F191-F195 PolarHBondContact O-N 2.99Å; S192-F195 PolarHBondContact O-N 3.07Å; E193-F195 VanDerWaalsContact C-N 3.33Å; E193-F195 PolarHBondContact O-N 2.97Å; F195-V197 VanDerWaalsContact C-N 3.31Å; F195-V197 PolarHBondContact O-N 3.47Å; F195-L198 PolarHBondContact O-N 2.77Å; F195-A199 WeakPolarHBondContact O-CB 3.16Å; F195-A199 PolarHBondContact O-N 2.77Å; F195-I213 HydrophobicContact CD1-CG2 4.22Å; F195-I213 HydrophobicContact CE1-CB 4.47Å; F195-I213 HydrophobicContact CE1-CG2 4.03Å; F195-E216 HydrophobicContact CE1-CB 4.3Å; F195-E216 HydrophobicContact CZ-CB 3.72Å; F195-L217 HydrophobicContact CB-CD2 3.96Å; F195-L217 HydrophobicContact CD1-CD1 4.11Å; F195-L217 HydrophobicContact CD1-CD2 3.55Å; F195-L217 HydrophobicContact CD1-CG 3.67Å; F195-L217 HydrophobicContact CD2-CD2 4.42Å; F195-L217 HydrophobicContact CE1-CD2 4.13Å; F195-L217 HydrophobicContact CE1-CG 3.9Å; F195-L217 HydrophobicContact CG-CD2 3.73Å; F195-L217 HydrophobicContact CG-CG 4.36Å; F195-L220 HydrophobicContact CD2-CD1 4.07Å; F195-L220 HydrophobicContact CE2-CD1 3.73Å; F195-L220 HydrophobicContact CZ-CD1 4.33Å
196K98.5Very high97.1Very high66 Ų6657.5 Ų57.529%0.28731%0.305SS..Hα-helixtrans-56.8-44.7175.5-71.7166.5-173.6172.10111.6S192 E193 A199 N200 I213 L217S192-K196 VanDerWaalsContact O-CG 3.29Å; S192-K196 WeakPolarHBondContact O-CG 3.09Å; S192-K196 PolarHBondContact O-N 2.86Å; E193-K196 PolarHBondContact O-N 2.94Å; E193-K196 IonicContact OE1-NZ 2.76Å; E193-K196 PolarHBondContact OE1-NZ 3.49Å; K196-A199 PolarHBondContact O-N 3.25Å; K196-N200 WeakPolarHBondContact O-CB 3.16Å; K196-N200 VanDerWaalsContact O-CG 3.26Å; K196-N200 PolarHBondContact O-N 2.68Å; K196-N200 PolarHBondContact O-ND2 3.45Å; K196-N200 VanDerWaalsContact O-ND2 3.16Å; K196-I213 HydrophobicContact CG-CG2 3.71Å; K196-L217 HydrophobicContact CG-CD1 4.39Å
197V97.9Very high96.8Very high83 Ų8358.3 Ų58.350%0.50331%0.308SS..Hα-helixtrans-60.6-48.9176.9171.40000110.9E193 R194 F195 N200 Q201E193-V197 WeakPolarHBondContact O-CG2 3.16Å; E193-V197 PolarHBondContact O-N 2.61Å; E193-V197 VanDerWaalsContact O-N 3.11Å; R194-V197 PolarHBondContact O-N 3.06Å; F195-V197 VanDerWaalsContact C-N 3.31Å; F195-V197 PolarHBondContact O-N 3.47Å; V197-N200 PolarHBondContact O-N 3.04Å; V197-Q201 WeakPolarHBondContact O-CG 3.45Å; V197-Q201 PolarHBondContact O-N 3.12Å
198L98Very high96.6Very high3 Ų360 Ų602%0.01632%0.321CS..Hα-helixtrans-62-46.6178.9-175.961.7000111.8F137 F139 R194 F195 N200 Q201 Y202F137-L198 HydrophobicContact CD2-CD2 4.16Å; F137-L198 HydrophobicContact CE2-CD2 3.93Å; F139-L198 HydrophobicContact CE2-CD2 4.31Å; F139-L198 HydrophobicContact CE2-CG 4.12Å; F139-L198 HydrophobicContact CZ-CD2 3.95Å; F139-L198 HydrophobicContact CZ-CG 3.95Å; R194-L198 PolarHBondContact O-N 3.22Å; F195-L198 PolarHBondContact O-N 2.77Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.1Å; L198-Q201 WeakPolarHBondContact O-CB 2.96Å; L198-Q201 PolarHBondContact O-N 3.3Å; L198-Y202 HydrophobicContact CD1-CD2 3.98Å; L198-Y202 HydrophobicContact CD1-CE2 3.76Å; L198-Y202 HydrophobicContact CG-CD2 4.2Å; L198-Y202 HydrophobicContact CG-CE2 4.23Å; L198-Y202 WeakPolarHBondContact O-CD2 3.43Å; L198-Y202 PolarHBondContact O-N 3.12Å
199A97.8Very high96.5Very high0 Ų059 Ų590%032%0.317CS..Hα-helixtrans-58.9-44.1177.500000111.8F139 F195 K196 Q201 Y202 K203 I211 I213F139-A199 HydrophobicContact CD1-CB 4.45Å; F139-A199 HydrophobicContact CE1-CB 4.12Å; F139-A199 HydrophobicContact CZ-CB 4.5Å; F195-A199 WeakPolarHBondContact O-CB 3.16Å; F195-A199 PolarHBondContact O-N 2.77Å; K196-A199 PolarHBondContact O-N 3.25Å; A199-Q201 PolarHBondContact O-N 3.15Å; A199-Y202 PolarHBondContact O-N 2.76Å; A199-K203 PolarHBondContact O-N 2.82Å; A199-I211 HydrophobicContact CB-CD1 3.92Å; A199-I211 HydrophobicContact CB-CG2 4.34Å; A199-I211 WeakPolarHBondContact O-CD1 2.99Å; A199-I213 HydrophobicContact CB-CD1 3.96Å; A199-I213 HydrophobicContact CB-CG1 3.94Å
200N96.7Very high96.2Very high82 Ų8262.1 Ų62.144%0.43933%0.328SS..Hα-helixtrans-67.2-33.8177.4-72.9-29.5000113K196 V197 L198 K203 S204K196-N200 WeakPolarHBondContact O-CB 3.16Å; K196-N200 VanDerWaalsContact O-CG 3.26Å; K196-N200 PolarHBondContact O-N 2.68Å; K196-N200 PolarHBondContact O-ND2 3.45Å; K196-N200 VanDerWaalsContact O-ND2 3.16Å; V197-N200 PolarHBondContact O-N 3.04Å; L198-N200 VanDerWaalsContact C-N 3.34Å; L198-N200 PolarHBondContact O-N 3.1Å; N200-K203 PolarHBondContact O-N 2.86Å; N200-S204 PolarHBondContact O-N 3.08Å; N200-S204 PolarHBondContact O-OG 2.81Å
201Q96.3Very high96.1Very high87 Ų8761.8 Ų61.841%0.40732%0.322SS..Hα-helixtrans-61.4-45.9170.4-72.6172.6-2.200110.9V197 L198 A199 K203 S204 I205V197-Q201 WeakPolarHBondContact O-CG 3.45Å; V197-Q201 PolarHBondContact O-N 3.12Å; L198-Q201 WeakPolarHBondContact O-CB 2.96Å; L198-Q201 PolarHBondContact O-N 3.3Å; A199-Q201 PolarHBondContact O-N 3.15Å; Q201-K203 PolarHBondContact O-N 2.83Å; Q201-S204 WeakPolarHBondContact O-CB 3.28Å; Q201-S204 PolarHBondContact O-N 3.26Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Q201-I205 WeakPolarHBondContact O-CG1 3.39Å; Q201-I205 PolarHBondContact O-N 2.86Å; Q201-I205 VanDerWaalsContact O-N 3.1Å
202Y97.4Very high96Very high15 Ų1567 Ų676%0.05935%0.349CS..Hα-helixtrans-62.9-41.1176.8-91.1-94.1000112.8F139 H140 A143 P168 S172 L198 A199 S204 I205 Y206 L209F139-Y202 HydrophobicContact CD2-CD1 4.18Å; F139-Y202 HydrophobicContact CD2-CD2 4.04Å; F139-Y202 AromaticContact CD2-CG 3.84Å; F139-Y202 HydrophobicContact CD2-CG 3.84Å; F139-Y202 AromaticContact CE2-CD2 3.68Å; F139-Y202 HydrophobicContact CE2-CD2 3.68Å; F139-Y202 HydrophobicContact CE2-CE2 4.03Å; F139-Y202 AromaticContact CE2-CG 3.98Å; F139-Y202 HydrophobicContact CE2-CG 3.98Å; H140-Y202 AromaticContact CD2-CE1 3.89Å; H140-Y202 AromaticContact CD2-CE2 3.71Å; H140-Y202 AromaticContact CD2-CZ 3.39Å; H140-Y202 PolarHBondContact CD2-OH 3.37Å; H140-Y202 AromaticContact NE2-CE2 3.65Å; H140-Y202 AromaticContact NE2-CZ 3.73Å; A143-Y202 HydrophobicContact CB-CD1 3.7Å; A143-Y202 HydrophobicContact CB-CE1 3.72Å; P168-Y202 HydrophobicContact CB-CE1 4.05Å; P168-Y202 WeakPolarHBondContact CB-OH 3.21Å; P168-Y202 PolarHBondContact O-OH 3.49Å; S172-Y202 PolarHBondContact OG-OH 2.89Å; L198-Y202 HydrophobicContact CD1-CD2 3.98Å; L198-Y202 HydrophobicContact CD1-CE2 3.76Å; L198-Y202 HydrophobicContact CG-CD2 4.2Å; L198-Y202 HydrophobicContact CG-CE2 4.23Å; L198-Y202 WeakPolarHBondContact O-CD2 3.43Å; L198-Y202 PolarHBondContact O-N 3.12Å; A199-Y202 PolarHBondContact O-N 2.76Å; Y202-S204 VanDerWaalsContact C-N 3.26Å; Y202-S204 PolarHBondContact O-N 3.42Å; Y202-I205 PolarHBondContact O-N 3.2Å; Y202-Y206 HydrophobicContact CD1-CD2 4.08Å; Y202-Y206 AromaticContact CD1-CE2 3.93Å; Y202-Y206 HydrophobicContact CD1-CE2 3.93Å; Y202-Y206 HydrophobicContact CE1-CE2 4.21Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.43Å; Y202-Y206 PolarHBondContact O-N 2.89Å; Y202-L209 HydrophobicContact CD1-CD2 4.42Å
203K95.8Very high96Very high70 Ų7067.8 Ų67.830%0.30435%0.353SS..Hα-helixtrans-59.4-36.2172-71.9-174.9179.9179.90112.7A199 N200 Q201 Y206 I211A199-K203 PolarHBondContact O-N 2.82Å; N200-K203 PolarHBondContact O-N 2.86Å; Q201-K203 PolarHBondContact O-N 2.83Å; K203-Y206 CarbonylContact O-C 3.56Å; K203-Y206 VanDerWaalsContact O-C 3.25Å; K203-I211 HydrophobicContact CD-CD1 4.48Å; K203-I211 VanDerWaalsContact CE-CB 3.45Å; K203-I211 HydrophobicContact CG-CD1 3.78Å; K203-I211 HydrophobicContact CG-CG1 4.12Å; K203-I211 PolarHBondContact NZ-O 2.87Å
204S95.1Very high95.9Very high98 Ų9868.8 Ų68.869%0.68536%0.357SS*.Hα-helixtrans-70.6-34.4179.4-55.90000112.2N200 Q201 Y202N200-S204 PolarHBondContact O-N 3.08Å; N200-S204 PolarHBondContact O-OG 2.81Å; Q201-S204 WeakPolarHBondContact O-CB 3.28Å; Q201-S204 PolarHBondContact O-N 3.26Å; Q201-S204 VanDerWaalsContact O-N 3.13Å; Y202-S204 VanDerWaalsContact C-N 3.26Å; Y202-S204 PolarHBondContact O-N 3.42Å
205I94.3Very high95.9Very high105 Ų10564.2 Ų64.254%0.53834%0.344SS..Hα-helixtrans-77.8-38.9177.2-60.6166.1000111Q201 Y202 P207Q201-I205 WeakPolarHBondContact O-CG1 3.39Å; Q201-I205 PolarHBondContact O-N 2.86Å; Q201-I205 VanDerWaalsContact O-N 3.1Å; Y202-I205 PolarHBondContact O-N 3.2Å; I205-P207 WeakPolarHBondContact O-CD 3.24Å
206Y94.2Very high95.8Very high23 Ų2365.2 Ų65.29%0.0935%0.349CS..  trans-121.488.3-179-51.7-72.6000110.1A143 I146 Q147 Y202 K203 T208 L209A143-Y206 HydrophobicContact CB-CD2 3.98Å; A143-Y206 HydrophobicContact CB-CE2 3.83Å; I146-Y206 HydrophobicContact CB-CD1 4.38Å; I146-Y206 HydrophobicContact CG2-CD1 3.68Å; I146-Y206 HydrophobicContact CG2-CE1 4.33Å; I146-Y206 HydrophobicContact CG2-CG 4.39Å; Q147-Y206 HydrophobicContact CG-CE1 3.88Å; Q147-Y206 WeakPolarHBondContact CG-OH 3.1Å; Q147-Y206 PolarHBondContact NE2-OH 2.99Å; Y202-Y206 HydrophobicContact CD1-CD2 4.08Å; Y202-Y206 AromaticContact CD1-CE2 3.93Å; Y202-Y206 HydrophobicContact CD1-CE2 3.93Å; Y202-Y206 HydrophobicContact CE1-CE2 4.21Å; Y202-Y206 WeakPolarHBondContact O-CD2 3.43Å; Y202-Y206 PolarHBondContact O-N 2.89Å; K203-Y206 CarbonylContact O-C 3.56Å; K203-Y206 VanDerWaalsContact O-C 3.25Å; Y206-T208 PolarHBondContact O-N 3.31Å; Y206-L209 HydrophobicContact CD2-CD2 4.39Å; Y206-L209 WeakPolarHBondContact O-CB 3.15Å; Y206-L209 PolarHBondContact O-N 3.49Å
207P90.5Very high95.8Very high118 Ų11862.3 Ų62.377%0.76634%0.336SS*.THydrogen-bonded Turntrans-59.8-22.2-176.2-27.836.2000115.1I205 L209I205-P207 WeakPolarHBondContact O-CD 3.24Å; P207-L209 VanDerWaalsContact C-N 3.28Å
208T91.7Very high95.8Very high111 Ų11165.4 Ų65.468%0.68135%0.345SS*.THydrogen-bonded Turntrans-83.3-2.1176.559.20000113.3Y206 E210Y206-T208 PolarHBondContact O-N 3.31Å; T208-E210 PolarHBondContact O-N 3.26Å
209L93.5Very high95.7Very high10 Ų1071.1 Ų71.15%0.05237%0.37CS..  trans-82.8107.8-176.9-176.864.4000110.5F139 A142 I146 Y202 Y206 P207 I211F139-L209 HydrophobicContact CB-CD2 4.28Å; A142-L209 HydrophobicContact CB-CD1 3.39Å; I146-L209 HydrophobicContact CD1-CB 4.11Å; I146-L209 HydrophobicContact CD1-CD1 4.08Å; Y202-L209 HydrophobicContact CD1-CD2 4.42Å; Y206-L209 HydrophobicContact CD2-CD2 4.39Å; Y206-L209 WeakPolarHBondContact O-CB 3.15Å; Y206-L209 PolarHBondContact O-N 3.49Å; P207-L209 VanDerWaalsContact C-N 3.28Å; L209-I211 HydrophobicContact CD2-CD1 3.87Å; L209-I211 HydrophobicContact CD2-CG1 4.15Å; L209-I211 HydrophobicContact CG-CD1 4.12Å; L209-I211 HydrophobicContact CG-CG1 3.83Å
210E93Very high95.7Very high186 Ų18671.6 Ų71.687%0.86937%0.373SS*.  trans-83.7128170.3-63.3-173.3171.100109.8T208T208-E210 PolarHBondContact O-N 3.26Å
211I95.7Very high95.8Very high13 Ų1373 Ų737%0.06738%0.375CS..  trans-131.8116.3177.2-44.2176.6000107.5F139 A199 K203 L209 I213 E216F139-I211 HydrophobicContact CB-CD1 3.54Å; F139-I211 HydrophobicContact CB-CG1 3.75Å; F139-I211 HydrophobicContact CB-CG2 4.14Å; F139-I211 HydrophobicContact CD1-CD1 4.19Å; F139-I211 HydrophobicContact CD1-CG2 3.96Å; F139-I211 HydrophobicContact CD2-CD1 4.43Å; F139-I211 HydrophobicContact CG-CD1 3.84Å; F139-I211 HydrophobicContact CG-CG1 4.5Å; F139-I211 HydrophobicContact CG-CG2 4.44Å; A199-I211 HydrophobicContact CB-CD1 3.92Å; A199-I211 HydrophobicContact CB-CG2 4.34Å; A199-I211 WeakPolarHBondContact O-CD1 2.99Å; K203-I211 HydrophobicContact CD-CD1 4.48Å; K203-I211 VanDerWaalsContact CE-CB 3.45Å; K203-I211 HydrophobicContact CG-CD1 3.78Å; K203-I211 HydrophobicContact CG-CG1 4.12Å; K203-I211 PolarHBondContact NZ-O 2.87Å; L209-I211 HydrophobicContact CD2-CD1 3.87Å; L209-I211 HydrophobicContact CD2-CG1 4.15Å; L209-I211 HydrophobicContact CG-CD1 4.12Å; L209-I211 HydrophobicContact CG-CG1 3.83Å; I211-I213 VanDerWaalsContact C-N 3.31Å; I211-I213 HydrophobicContact CB-CG1 4.32Å; I211-I213 HydrophobicContact CG2-CG1 3.96Å; I211-I213 PolarHBondContact O-N 3.15Å; I211-I213 VanDerWaalsContact O-N 3.16Å; I211-E216 WeakPolarHBondContact CG2-OE1 3.12Å
212D96.4Very high95.7Very high109 Ų10970.8 Ų70.858%0.58338%0.376SS*.  trans-80.482.2166.8178.613.1000108.9E214 G215 E216D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.41Å; D212-G215 PolarHBondContact O-N 3.36Å; D212-G215 PolarHBondContact OD1-N 3.06Å; D212-G215 WeakPolarHBondContact OD2-CA 3.4Å; D212-E216 WeakPolarHBondContact O-CB 3.21Å; D212-E216 PolarHBondContact O-N 2.68Å
213I97.7Very high95.7Very high28 Ų2872.5 Ų72.514%0.14438%0.382CS..Hα-helixtrans-57.9-44.7-174.7-69.4174.5000111.1F195 K196 A199 I211 L217F195-I213 HydrophobicContact CD1-CG2 4.22Å; F195-I213 HydrophobicContact CE1-CB 4.47Å; F195-I213 HydrophobicContact CE1-CG2 4.03Å; K196-I213 HydrophobicContact CG-CG2 3.71Å; A199-I213 HydrophobicContact CB-CD1 3.96Å; A199-I213 HydrophobicContact CB-CG1 3.94Å; I211-I213 VanDerWaalsContact C-N 3.31Å; I211-I213 HydrophobicContact CB-CG1 4.32Å; I211-I213 HydrophobicContact CG2-CG1 3.96Å; I211-I213 PolarHBondContact O-N 3.15Å; I211-I213 VanDerWaalsContact O-N 3.16Å; I213-L217 HydrophobicContact CG2-CD1 4.1Å; I213-L217 WeakPolarHBondContact O-CB 3.37Å; I213-L217 VanDerWaalsContact O-CG 3.28Å; I213-L217 WeakPolarHBondContact O-CG 3.17Å; I213-L217 PolarHBondContact O-N 3.07Å
214E97.4Very high95.8Very high128 Ų12869.8 Ų69.860%0.59837%0.371SS*.Hα-helixtrans-72.5-42.4-176.1-168.360.2-153.100111D212 E216 L217 Q218D212-E214 VanDerWaalsContact C-N 3.3Å; D212-E214 PolarHBondContact O-N 3.41Å; E214-E216 PolarHBondContact O-N 3.38Å; E214-L217 PolarHBondContact O-N 3.19Å; E214-Q218 WeakPolarHBondContact O-CB 3.35Å; E214-Q218 PolarHBondContact O-N 2.82Å
215G97.6Very high95.7Very high13 Ų1370.7 Ų70.713%0.13436%0.364CS..Hα-helixtrans-63.5-39.6175.300000113.1D212 Q218 K219D212-G215 PolarHBondContact O-N 3.36Å; D212-G215 PolarHBondContact OD1-N 3.06Å; D212-G215 WeakPolarHBondContact OD2-CA 3.4Å; G215-Q218 PolarHBondContact O-N 3.36Å; G215-K219 WeakPolarHBondContact O-CG 3.49Å; G215-K219 PolarHBondContact O-N 3.16Å
216E97.3Very high95.8Very high21 Ų2171.8 Ų71.810%0.09837%0.365CS..Hα-helixtrans-65.2-44.3173.8-78-166.7-133.800111.9F195 I211 D212 E214 Q218 K219 L220F195-E216 HydrophobicContact CE1-CB 4.3Å; F195-E216 HydrophobicContact CZ-CB 3.72Å; I211-E216 WeakPolarHBondContact CG2-OE1 3.12Å; D212-E216 WeakPolarHBondContact O-CB 3.21Å; D212-E216 PolarHBondContact O-N 2.68Å; E214-E216 PolarHBondContact O-N 3.38Å; E216-Q218 VanDerWaalsContact C-N 3.34Å; E216-Q218 PolarHBondContact O-N 3.38Å; E216-K219 PolarHBondContact O-N 2.72Å; E216-L220 WeakPolarHBondContact O-CB 3.33Å; E216-L220 VanDerWaalsContact O-CG 3.25Å; E216-L220 WeakPolarHBondContact O-CG 3.24Å; E216-L220 PolarHBondContact O-N 2.95Å
217L98.2Very high96Very high6 Ų670.7 Ų70.73%0.03136%0.361CS..Hα-helixtrans-60.5-42.6175.2-75.6174000111.8F188 F191 F195 K196 I213 E214 K219 L220 K221F188-L217 WeakPolarHBondContact CZ-O 3.24Å; F191-L217 HydrophobicContact CD1-CD2 4.37Å; F191-L217 HydrophobicContact CE1-CD2 4.09Å; F195-L217 HydrophobicContact CB-CD2 3.96Å; F195-L217 HydrophobicContact CD1-CD1 4.11Å; F195-L217 HydrophobicContact CD1-CD2 3.55Å; F195-L217 HydrophobicContact CD1-CG 3.67Å; F195-L217 HydrophobicContact CD2-CD2 4.42Å; F195-L217 HydrophobicContact CE1-CD2 4.13Å; F195-L217 HydrophobicContact CE1-CG 3.9Å; F195-L217 HydrophobicContact CG-CD2 3.73Å; F195-L217 HydrophobicContact CG-CG 4.36Å; K196-L217 HydrophobicContact CG-CD1 4.39Å; I213-L217 HydrophobicContact CG2-CD1 4.1Å; I213-L217 WeakPolarHBondContact O-CB 3.37Å; I213-L217 VanDerWaalsContact O-CG 3.28Å; I213-L217 WeakPolarHBondContact O-CG 3.17Å; I213-L217 PolarHBondContact O-N 3.07Å; E214-L217 PolarHBondContact O-N 3.19Å; L217-K219 PolarHBondContact O-N 3.25Å; L217-L220 PolarHBondContact O-N 2.99Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 3.01Å
218Q97.3Very high96.3Very high148 Ų14870.2 Ų70.269%0.69235%0.347SS*.Hα-helixtrans-61.2-43.8176.7-171.3179.814.500111.9E214 G215 E216 K221 G222E214-Q218 WeakPolarHBondContact O-CB 3.35Å; E214-Q218 PolarHBondContact O-N 2.82Å; G215-Q218 PolarHBondContact O-N 3.36Å; E216-Q218 VanDerWaalsContact C-N 3.34Å; E216-Q218 PolarHBondContact O-N 3.38Å; Q218-K221 WeakPolarHBondContact O-CB 3.48Å; Q218-K221 PolarHBondContact O-N 2.78Å; Q218-G222 PolarHBondContact O-N 3.08Å
219K96.8Very high96.6Very high122 Ų12269.7 Ų69.753%0.5335%0.345SS..Hα-helixtrans-61.8-47174.5-71.8172.9-174.9173.60111.4G215 E216 L217 K221 G222 Y223G215-K219 WeakPolarHBondContact O-CG 3.49Å; G215-K219 PolarHBondContact O-N 3.16Å; E216-K219 PolarHBondContact O-N 2.72Å; L217-K219 PolarHBondContact O-N 3.25Å; K219-K221 VanDerWaalsContact C-N 3.28Å; K219-K221 PolarHBondContact O-N 3.39Å; K219-G222 WeakPolarHBondContact O-CA 3.22Å; K219-G222 PolarHBondContact O-N 3.34Å; K219-Y223 HydrophobicContact CB-CE2 4.43Å; K219-Y223 WeakPolarHBondContact O-CD2 3.49Å; K219-Y223 PolarHBondContact O-N 3.17Å
220L97.9Very high96.8Very high11 Ų1169.7 Ų69.76%0.05835%0.345CS..Hα-helixtrans-60.6-37.3179.1-73.2168.2000111.8L103 F137 L184 F191 F195 E216 L217 G222 Y223 M224L103-L220 HydrophobicContact CD1-CD2 3.97Å; F137-L220 HydrophobicContact CD1-CD1 4Å; F137-L220 HydrophobicContact CD1-CD2 4.46Å; F137-L220 HydrophobicContact CE1-CD1 3.79Å; F137-L220 HydrophobicContact CE1-CD2 4.29Å; L184-L220 HydrophobicContact CD1-CB 4.43Å; F191-L220 HydrophobicContact CE1-CD1 3.99Å; F191-L220 HydrophobicContact CZ-CD1 4.07Å; F195-L220 HydrophobicContact CD2-CD1 4.07Å; F195-L220 HydrophobicContact CE2-CD1 3.73Å; F195-L220 HydrophobicContact CZ-CD1 4.33Å; E216-L220 WeakPolarHBondContact O-CB 3.33Å; E216-L220 VanDerWaalsContact O-CG 3.25Å; E216-L220 WeakPolarHBondContact O-CG 3.24Å; E216-L220 PolarHBondContact O-N 2.95Å; L217-L220 PolarHBondContact O-N 2.99Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 2.95Å; L220-Y223 PolarHBondContact O-N 3.07Å; L220-M224 WeakPolarHBondContact O-CB 3.32Å; L220-M224 PolarHBondContact O-N 3.24Å
221K96.8Very high97.1Very high111 Ų11161.8 Ų61.848%0.48331%0.309SS..Hα-helixtrans-60.2-42.5172.8-163.6170.6-174.7167.20111.9F188 L217 Q218 K219 M224F188-K221 HydrophobicContact CD1-CD 4.28Å; F188-K221 HydrophobicContact CD1-CG 4.44Å; F188-K221 HydrophobicContact CE1-CB 4.08Å; F188-K221 HydrophobicContact CE1-CD 3.88Å; F188-K221 HydrophobicContact CE1-CG 4.07Å; F188-K221 HydrophobicContact CE2-CB 3.85Å; F188-K221 HydrophobicContact CE2-CG 4.23Å; F188-K221 HydrophobicContact CZ-CB 3.53Å; F188-K221 HydrophobicContact CZ-CD 4.23Å; F188-K221 HydrophobicContact CZ-CG 3.97Å; L217-K221 WeakPolarHBondContact O-CB 3.4Å; L217-K221 PolarHBondContact O-N 3.01Å; Q218-K221 WeakPolarHBondContact O-CB 3.48Å; Q218-K221 PolarHBondContact O-N 2.78Å; K219-K221 VanDerWaalsContact C-N 3.28Å; K219-K221 PolarHBondContact O-N 3.39Å; K221-M224 HydrophobicContact CG-CE 4.48Å; K221-M224 WeakPolarHBondContact O-CB 3.34Å; K221-M224 PolarHBondContact O-N 2.86Å
222G96.2Very high97.2Very high41 Ų4167.5 Ų67.542%0.42333%0.33SS..Hα-helixtrans-63.3-39.6174.600000113.2Q218 K219 L220Q218-G222 PolarHBondContact O-N 3.08Å; K219-G222 WeakPolarHBondContact O-CA 3.22Å; K219-G222 PolarHBondContact O-N 3.34Å; L220-G222 VanDerWaalsContact C-N 3.33Å; L220-G222 PolarHBondContact O-N 2.95Å
223Y97.2Very high97.3Very high50 Ų5065.4 Ų65.420%0.19632%0.319CS..Hα-helixtrans-72.5-32.8175.3-70.1-61.7000113.2L103 P104 F107 K219 L220 E225 K226 I227L103-Y223 HydrophobicContact CB-CD2 4.38Å; L103-Y223 HydrophobicContact CB-CG 4.26Å; P104-Y223 HydrophobicContact CB-CE2 4.27Å; P104-Y223 HydrophobicContact CG-CE2 3.78Å; F107-Y223 HydrophobicContact CB-CE1 4.18Å; F107-Y223 AromaticContact CD2-CD1 3.27Å; F107-Y223 HydrophobicContact CD2-CD1 3.27Å; F107-Y223 AromaticContact CD2-CE1 3.39Å; F107-Y223 HydrophobicContact CD2-CE1 3.39Å; F107-Y223 HydrophobicContact CD2-CG 4.37Å; F107-Y223 AromaticContact CE2-CD1 3.41Å; F107-Y223 HydrophobicContact CE2-CD1 3.41Å; F107-Y223 VanDerWaalsContact CE2-CD1 3.41Å; F107-Y223 HydrophobicContact CE2-CE1 4.04Å; F107-Y223 HydrophobicContact CE2-CG 4.3Å; F107-Y223 HydrophobicContact CG-CD1 4.19Å; F107-Y223 AromaticContact CG-CE1 3.98Å; F107-Y223 HydrophobicContact CG-CE1 3.98Å; F107-Y223 HydrophobicContact CZ-CD1 4.4Å; K219-Y223 HydrophobicContact CB-CE2 4.43Å; K219-Y223 WeakPolarHBondContact O-CD2 3.49Å; K219-Y223 PolarHBondContact O-N 3.17Å; L220-Y223 PolarHBondContact O-N 3.07Å; Y223-E225 VanDerWaalsContact C-N 3.33Å; Y223-E225 PolarHBondContact O-N 2.85Å; Y223-K226 PolarHBondContact O-N 3.09Å; Y223-K226 VanDerWaalsContact O-N 3.14Å; Y223-I227 WeakPolarHBondContact O-CB 3.14Å; Y223-I227 WeakPolarHBondContact O-CG2 3.17Å; Y223-I227 PolarHBondContact O-N 2.89Å
224M97.1Very high97.4Very high14 Ų1464 Ų647%0.06931%0.312CS..Hα-helixtrans-54.1-49.4177.7-179.9-171.873.800111.1L184 F188 L220 K221 K226 I227 K228L184-M224 HydrophobicContact CD1-CB 4.16Å; L184-M224 HydrophobicContact CD1-CG 4.43Å; L184-M224 HydrophobicContact CD2-CB 4.42Å; L184-M224 HydrophobicContact CG-CB 4.12Å; L184-M224 HydrophobicContact CG-CG 4.14Å; F188-M224 HydrophobicContact CB-CE 4.43Å; F188-M224 HydrophobicContact CB-SD 3.89Å; F188-M224 HydrophobicContact CD2-CE 4.33Å; F188-M224 HydrophobicContact CD2-SD 3.54Å; F188-M224 VanDerWaalsContact CD2-SD 3.54Å; F188-M224 HydrophobicContact CE2-SD 4.49Å; F188-M224 HydrophobicContact CG-CE 4.49Å; F188-M224 HydrophobicContact CG-SD 4.03Å; L220-M224 WeakPolarHBondContact O-CB 3.32Å; L220-M224 PolarHBondContact O-N 3.24Å; K221-M224 HydrophobicContact CG-CE 4.48Å; K221-M224 WeakPolarHBondContact O-CB 3.34Å; K221-M224 PolarHBondContact O-N 2.86Å; M224-K226 VanDerWaalsContact C-N 3.28Å; M224-K226 PolarHBondContact O-N 3.2Å; M224-I227 PolarHBondContact O-N 3.21Å; M224-K228 WeakPolarHBondContact O-CB 3.26Å; M224-K228 PolarHBondContact O-N 3.16Å
225E93.7Very high97.4Very high117 Ų11760.4 Ų60.455%0.54730%0.298SS..Hα-helixtrans-60.9-38.2179.6-64.7-55.7143.700112.3Y223Y223-E225 VanDerWaalsContact C-N 3.33Å; Y223-E225 PolarHBondContact O-N 2.85Å
226K96.2Very high97.4Very high127 Ų12765.8 Ų65.855%0.55232%0.315SS*.Hα-helixtrans-73.5-38.3179-64-177.2180-176.70112.7F107 Y223 M224 P229F107-K226 HydrophobicContact CE1-CB 4.15Å; F107-K226 HydrophobicContact CE1-CD 4.32Å; F107-K226 HydrophobicContact CZ-CB 3.69Å; F107-K226 HydrophobicContact CZ-CD 4.37Å; Y223-K226 PolarHBondContact O-N 3.09Å; Y223-K226 VanDerWaalsContact O-N 3.14Å; M224-K226 VanDerWaalsContact C-N 3.28Å; M224-K226 PolarHBondContact O-N 3.2Å; K226-P229 WeakPolarHBondContact O-CD 3.39Å
227I97.5Very high97.5Very high0 Ų065.9 Ų65.90%032%0.316CS..Hα-helixtrans-86.8-27.5-172.4-152.269.9000112.6L103 L106 F107 I129 L184 V185 Y223 M224 P229 M230 V231L103-I227 HydrophobicContact CD2-CB 4.46Å; L103-I227 HydrophobicContact CD2-CD1 4.16Å; L103-I227 HydrophobicContact CD2-CG1 3.98Å; L106-I227 HydrophobicContact CD2-CD1 3.89Å; F107-I227 HydrophobicContact CE2-CD1 4.1Å; F107-I227 HydrophobicContact CZ-CD1 3.91Å; I129-I227 HydrophobicContact CD1-CD1 3.48Å; I129-I227 VanDerWaalsContact CD1-CD1 3.48Å; I129-I227 HydrophobicContact CD1-CG1 3.81Å; L184-I227 HydrophobicContact CD2-CG2 4.46Å; V185-I227 HydrophobicContact CG1-CG2 4.07Å; Y223-I227 WeakPolarHBondContact O-CB 3.14Å; Y223-I227 WeakPolarHBondContact O-CG2 3.17Å; Y223-I227 PolarHBondContact O-N 2.89Å; M224-I227 PolarHBondContact O-N 3.21Å; I227-P229 VanDerWaalsContact C-CD 3.41Å; I227-P229 VanDerWaalsContact C-N 3.33Å; I227-M230 HydrophobicContact CD1-SD 3.86Å; I227-M230 WeakPolarHBondContact O-CA 3.3Å; I227-M230 WeakPolarHBondContact O-CB 3.32Å; I227-M230 PolarHBondContact O-N 3.15Å; I227-V231 HydrophobicContact CG1-CG2 4.37Å; I227-V231 HydrophobicContact CG2-CG2 4.44Å; I227-V231 PolarHBondContact O-N 2.77Å
228K97.8Very high97.5Very high109 Ų10965.7 Ų65.747%0.47432%0.315SS..G310 helixtrans-50.1-41.8-176.4-178.4173.4-172.9171.90114.1V185 M224 M230 V231V185-K228 HydrophobicContact CB-CB 4.49Å; V185-K228 HydrophobicContact CB-CG 4.31Å; V185-K228 HydrophobicContact CG1-CB 4.29Å; M224-K228 WeakPolarHBondContact O-CB 3.26Å; M224-K228 PolarHBondContact O-N 3.16Å; K228-M230 PolarHBondContact O-N 3.19Å; K228-V231 PolarHBondContact O-N 2.83Å
229P97.5Very high97.5Very high100 Ų10064.9 Ų64.965%0.64931%0.306SS*.G310 helixtrans-64.6-22.1176.6-22.535.2000114.7K226 I227K226-P229 WeakPolarHBondContact O-CD 3.39Å; I227-P229 VanDerWaalsContact C-CD 3.41Å; I227-P229 VanDerWaalsContact C-N 3.33Å
230M98.3Very high97.5Very high9 Ų963.8 Ų63.84%0.04430%0.303CS..G310 helixtrans-89.7-17.9-178.9-51.2179.6-16300112.2W123 E124 L127 I128 I129 I227 K228W123-M230 HydrophobicContact CH2-CE 4.25Å; W123-M230 HydrophobicContact CZ3-CE 4.31Å; W123-M230 HydrophobicContact CZ3-SD 4.16Å; E124-M230 HydrophobicContact CB-CE 3.6Å; E124-M230 HydrophobicContact CG-CE 3.77Å; L127-M230 HydrophobicContact CB-SD 4.24Å; L127-M230 HydrophobicContact CD2-SD 3.94Å; L127-M230 HydrophobicContact CG-SD 4.4Å; I128-M230 CarbonylContact C-O 3.56Å; I128-M230 WeakPolarHBondContact CA-O 3.45Å; I129-M230 HydrophobicContact CD1-CB 4.4Å; I129-M230 HydrophobicContact CG1-CB 4.47Å; I129-M230 PolarHBondContact N-O 3.39Å; I227-M230 HydrophobicContact CD1-SD 3.86Å; I227-M230 WeakPolarHBondContact O-CA 3.3Å; I227-M230 WeakPolarHBondContact O-CB 3.32Å; I227-M230 PolarHBondContact O-N 3.15Å; K228-M230 PolarHBondContact O-N 3.19Å
231V98.8Very high97.5Very high21 Ų2163.3 Ų63.313%0.12730%0.301CS..EExtended strand (participates in β ladder)trans-84.3129-175.5179.90000110.9I129 D131 M181 V185 I227 K228I129-V231 HydrophobicContact CB-CG2 4.41Å; I129-V231 WeakPolarHBondContact O-CA 3.38Å; D131-V231 HydrophobicContact CB-CG1 3.87Å; M181-V231 HydrophobicContact CB-CG1 4.18Å; M181-V231 HydrophobicContact CB-CG2 4.25Å; V185-V231 HydrophobicContact CG1-CB 4.45Å; V185-V231 HydrophobicContact CG1-CG2 4.06Å; V185-V231 HydrophobicContact CG2-CB 4.43Å; V185-V231 HydrophobicContact CG2-CG1 4.09Å; I227-V231 HydrophobicContact CG1-CG2 4.37Å; I227-V231 HydrophobicContact CG2-CG2 4.44Å; I227-V231 PolarHBondContact O-N 2.77Å; K228-V231 PolarHBondContact O-N 2.83Å
232R98.4Very high97.5Very high133 Ų13358.2 Ų58.250%0.50228%0.278SS..EExtended strand (participates in β ladder)trans-139165.3177.4-61.5-171.7-179.1-172.70.9111.1I128 I129 D131 G234I128-R232 HydrophobicContact CG2-CB 4.05Å; I128-R232 HydrophobicContact CG2-CG 4.1Å; I129-R232 PolarHBondContact O-N 2.99Å; D131-R232 VanDerWaalsContact CB-O 3.32Å; D131-R232 WeakPolarHBondContact CB-O 3.13Å; D131-R232 PolarHBondContact N-O 3.01Å; R232-G234 VanDerWaalsContact C-N 3.32Å; R232-G234 PolarHBondContact O-N 3.06Å
233D98.5Very high97.5Very high64 Ų6459.9 Ų59.934%0.34228%0.275SS..  trans-60.8100.6161.8-172.7-34.2000108.2R132 V235 Y236 F237R132-D233 IonicContact CZ-OD1 3.56Å; R132-D233 IonicContact CZ-OD2 3.71Å; R132-D233 VanDerWaalsContact NH1-CG 3.26Å; R132-D233 IonicContact NH1-OD1 2.75Å; R132-D233 PolarHBondContact NH1-OD1 3.25Å; R132-D233 IonicContact NH1-OD2 3.48Å; R132-D233 PolarHBondContact NH1-OD2 3.36Å; R132-D233 IonicContact NH2-OD1 3.78Å; R132-D233 PolarHBondContact NH2-OD1 3Å; R132-D233 IonicContact NH2-OD2 2.71Å; R132-D233 PolarHBondContact NH2-OD2 2.8Å; D233-V235 VanDerWaalsContact C-N 3.3Å; D233-V235 PolarHBondContact O-N 2.78Å; D233-V235 PolarHBondContact OD1-N 2.89Å; D233-Y236 PolarHBondContact O-N 2.87Å; D233-Y236 PolarHBondContact OD1-N 2.88Å; D233-F237 WeakPolarHBondContact O-CB 3.49Å; D233-F237 PolarHBondContact O-N 2.88Å
234G98.3Very high97.4Very high0 Ų059.1 Ų59.10%028%0.283CS..Hα-helixtrans-66.5-33.6-173.500000113D131 R232 L238D131-G234 PolarHBondContact OD1-N 3.39Å; R232-G234 VanDerWaalsContact C-N 3.32Å; R232-G234 PolarHBondContact O-N 3.06Å; G234-L238 WeakPolarHBondContact O-CB 3.46Å; G234-L238 PolarHBondContact O-N 3.04Å
235V98.1Very high97.2Very high51 Ų5163.1 Ų63.131%0.30931%0.31SS..Hα-helixtrans-68.8-46.8179.8178.80000109.3D233 L238 Y239D233-V235 VanDerWaalsContact C-N 3.3Å; D233-V235 PolarHBondContact O-N 2.78Å; D233-V235 PolarHBondContact OD1-N 2.89Å; V235-L238 PolarHBondContact O-N 3.27Å; V235-Y239 VanDerWaalsContact O-CB 3.27Å; V235-Y239 WeakPolarHBondContact O-CB 3.28Å; V235-Y239 PolarHBondContact O-N 3.26Å
236Y98.4Very high97.3Very high127 Ų12763.3 Ų63.350%0.49832%0.321SS..Hα-helixtrans-67.7-42.3178.8-171.9-104.2000111.9D233 L238 Y239 E240D233-Y236 PolarHBondContact O-N 2.87Å; D233-Y236 PolarHBondContact OD1-N 2.88Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 2.95Å; Y236-Y239 HydrophobicContact CE2-CD1 4.44Å; Y236-Y239 WeakPolarHBondContact O-CB 3.44Å; Y236-Y239 PolarHBondContact O-N 2.91Å; Y236-E240 HydrophobicContact CD1-CG 4.26Å; Y236-E240 HydrophobicContact CE1-CG 3.76Å; Y236-E240 WeakPolarHBondContact CE1-OE1 3.34Å; Y236-E240 HydrophobicContact CE2-CG 4.39Å; Y236-E240 PolarHBondContact O-N 3.03Å; Y236-E240 PolarHBondContact OH-OE1 2.86Å
237F98.5Very high97.4Very high23 Ų2361 Ų6110%0.10131%0.311CS..Hα-helixtrans-54.8-49.1174.4167.1-103.6000112.1I56 T92 F94 I128 D233 E240 A241I56-F237 HydrophobicContact CD1-CE1 4.45Å; I56-F237 HydrophobicContact CD1-CZ 3.96Å; I56-F237 HydrophobicContact CG2-CE1 4.49Å; T92-F237 HydrophobicContact CG2-CZ 4.08Å; F94-F237 HydrophobicContact CB-CE1 4.02Å; F94-F237 HydrophobicContact CD1-CD1 4.4Å; F94-F237 HydrophobicContact CD1-CE1 4.31Å; F94-F237 AromaticContact CD2-CD1 3.86Å; F94-F237 HydrophobicContact CD2-CD1 3.86Å; F94-F237 AromaticContact CD2-CE1 3.93Å; F94-F237 HydrophobicContact CD2-CE1 3.93Å; F94-F237 HydrophobicContact CE1-CD1 4.5Å; F94-F237 AromaticContact CE2-CD1 3.98Å; F94-F237 HydrophobicContact CE2-CD1 3.98Å; F94-F237 HydrophobicContact CG-CD1 4.09Å; F94-F237 AromaticContact CG-CE1 3.83Å; F94-F237 HydrophobicContact CG-CE1 3.83Å; F94-F237 HydrophobicContact CZ-CD1 4.3Å; I128-F237 HydrophobicContact CD1-CD2 3.75Å; I128-F237 HydrophobicContact CD1-CE1 4.11Å; I128-F237 HydrophobicContact CD1-CE2 3.24Å; I128-F237 HydrophobicContact CD1-CG 4.36Å; I128-F237 HydrophobicContact CD1-CZ 3.46Å; I128-F237 VanDerWaalsContact CD1-CZ 3.46Å; I128-F237 HydrophobicContact CG2-CD1 4.26Å; I128-F237 HydrophobicContact CG2-CG 4.36Å; D233-F237 WeakPolarHBondContact O-CB 3.49Å; D233-F237 PolarHBondContact O-N 2.88Å; F237-E240 PolarHBondContact O-N 3.26Å; F237-A241 PolarHBondContact O-N 3.24Å; F237-A241 VanDerWaalsContact O-N 3.11Å
238L98Very high97.4Very high2 Ų266.4 Ų66.41%0.0133%0.334CS..Hα-helixtrans-70.3-36.5179.1-174.261.1000111.5F94 G234 V235 Y236 E240 A241 L242 I249 L283 M285F94-L238 HydrophobicContact CE1-CB 4.42Å; G234-L238 WeakPolarHBondContact O-CB 3.46Å; G234-L238 PolarHBondContact O-N 3.04Å; V235-L238 PolarHBondContact O-N 3.27Å; Y236-L238 VanDerWaalsContact C-N 3.34Å; Y236-L238 PolarHBondContact O-N 2.95Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 2.94Å; L238-A241 HydrophobicContact CD1-CB 4.43Å; L238-A241 CarbonylContact O-C 3.52Å; L238-A241 WeakPolarHBondContact O-CB 3.28Å; L238-A241 PolarHBondContact O-N 2.73Å; L238-A241 VanDerWaalsContact O-N 3.15Å; L238-L242 HydrophobicContact CD1-CG 4.27Å; L238-L242 HydrophobicContact CG-CD1 3.97Å; L238-L242 HydrophobicContact CG-CG 4.15Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.41Å; L238-I249 HydrophobicContact CD1-CD1 4.39Å; L238-I249 HydrophobicContact CD1-CG2 4.43Å; L238-L283 HydrophobicContact CD2-CB 3.55Å; L238-L283 HydrophobicContact CD2-CD1 4.22Å; L238-L283 HydrophobicContact CD2-CG 4.38Å; L238-M285 HydrophobicContact CD2-CB 3.96Å; L238-M285 HydrophobicContact CD2-CG 4.38Å; L238-M285 HydrophobicContact CD2-SD 4.28Å
239Y97.2Very high97.4Very high131 Ų13161.3 Ų61.351%0.51431%0.312SS..Hα-helixtrans-56.7-46.1174.3175.6-91.4000112V235 Y236 A241 L242 H243V235-Y239 VanDerWaalsContact O-CB 3.27Å; V235-Y239 WeakPolarHBondContact O-CB 3.28Å; V235-Y239 PolarHBondContact O-N 3.26Å; Y236-Y239 HydrophobicContact CE2-CD1 4.44Å; Y236-Y239 WeakPolarHBondContact O-CB 3.44Å; Y236-Y239 PolarHBondContact O-N 2.91Å; Y239-A241 VanDerWaalsContact C-N 3.34Å; Y239-A241 PolarHBondContact O-N 2.95Å; Y239-L242 PolarHBondContact O-N 3.37Å; Y239-H243 AromaticContact CD2-CE1 3.59Å; Y239-H243 AromaticContact CD2-ND1 3.47Å; Y239-H243 WeakPolarHBondContact CD2-ND1 3.38Å; Y239-H243 AromaticContact CE2-CE1 3.48Å; Y239-H243 VanDerWaalsContact CE2-CE1 3.48Å; Y239-H243 WeakPolarHBondContact CE2-CE1 3.48Å; Y239-H243 AromaticContact CE2-ND1 3.45Å; Y239-H243 WeakPolarHBondContact CE2-ND1 3.35Å; Y239-H243 AromaticContact CG-ND1 3.94Å; Y239-H243 AromaticContact CZ-ND1 3.9Å; Y239-H243 PolarHBondContact O-N 3.19Å; Y239-H243 PolarHBondContact O-ND1 2.85Å
240E97.6Very high97.5Very high98 Ų9856.8 Ų56.846%0.45828%0.283SS..Hα-helixtrans-63-40.2175.2-70.8-173.4133.400111.8Y236 F237 L238 L242 G244Y236-E240 HydrophobicContact CD1-CG 4.26Å; Y236-E240 HydrophobicContact CE1-CG 3.76Å; Y236-E240 WeakPolarHBondContact CE1-OE1 3.34Å; Y236-E240 HydrophobicContact CE2-CG 4.39Å; Y236-E240 PolarHBondContact O-N 3.03Å; Y236-E240 PolarHBondContact OH-OE1 2.86Å; F237-E240 PolarHBondContact O-N 3.26Å; L238-E240 VanDerWaalsContact C-N 3.33Å; L238-E240 PolarHBondContact O-N 2.94Å; E240-L242 VanDerWaalsContact C-N 3.32Å; E240-L242 PolarHBondContact O-N 2.93Å; E240-G244 WeakPolarHBondContact O-CA 3.27Å; E240-G244 PolarHBondContact O-N 3.16Å
241A97.7Very high97.5Very high2 Ų256.3 Ų56.32%0.01728%0.28CS..Hα-helixtrans-65.2-35.4174.900000112.6N28 I56 F237 L238 Y239 K247 I249N28-A241 PolarHBondContact ND2-O 3.3Å; I56-A241 HydrophobicContact CD1-CB 3.48Å; I56-A241 VanDerWaalsContact CD1-CB 3.48Å; F237-A241 PolarHBondContact O-N 3.24Å; F237-A241 VanDerWaalsContact O-N 3.11Å; L238-A241 HydrophobicContact CD1-CB 4.43Å; L238-A241 CarbonylContact O-C 3.52Å; L238-A241 WeakPolarHBondContact O-CB 3.28Å; L238-A241 PolarHBondContact O-N 2.73Å; L238-A241 VanDerWaalsContact O-N 3.15Å; Y239-A241 VanDerWaalsContact C-N 3.34Å; Y239-A241 PolarHBondContact O-N 2.95Å; A241-K247 HydrophobicContact CB-CD 4.47Å; A241-I249 HydrophobicContact CB-CD1 3.93Å
242L97.2Very high97.4Very high3 Ų355.4 Ų55.42%0.01628%0.275CS..Hα-helixtrans-75.1-31.5179.5-71.2173.1000113.1G27 N28 V30 L238 Y239 E240 I249 M285 N289G27-L242 CarbonylContact C-O 3.59Å; G27-L242 WeakPolarHBondContact CA-O 3.44Å; N28-L242 PolarHBondContact N-O 3.27Å; N28-L242 WeakPolarHBondContact O-CD2 3.47Å; V30-L242 HydrophobicContact CG2-CD2 3.57Å; L238-L242 HydrophobicContact CD1-CG 4.27Å; L238-L242 HydrophobicContact CG-CD1 3.97Å; L238-L242 HydrophobicContact CG-CG 4.15Å; L238-L242 WeakPolarHBondContact O-CB 3.3Å; L238-L242 VanDerWaalsContact O-CG 3.22Å; L238-L242 WeakPolarHBondContact O-CG 3.37Å; L238-L242 PolarHBondContact O-N 3.41Å; Y239-L242 PolarHBondContact O-N 3.37Å; E240-L242 VanDerWaalsContact C-N 3.32Å; E240-L242 PolarHBondContact O-N 2.93Å; L242-I249 HydrophobicContact CD2-CD1 3.91Å; L242-I249 HydrophobicContact CG-CD1 4.48Å; L242-M285 HydrophobicContact CD1-CB 3.87Å; L242-N289 HydrophobicContact CD1-CB 4.2Å; L242-N289 HydrophobicContact CD2-CB 3.9Å
243H95.5Very high97.3Very high77 Ų7749.1 Ų49.136%0.35625%0.251SS..Hα-helixtrans-113.20.9-173.8-59.785.2000114Y239Y239-H243 AromaticContact CD2-CE1 3.59Å; Y239-H243 AromaticContact CD2-ND1 3.47Å; Y239-H243 WeakPolarHBondContact CD2-ND1 3.38Å; Y239-H243 AromaticContact CE2-CE1 3.48Å; Y239-H243 VanDerWaalsContact CE2-CE1 3.48Å; Y239-H243 WeakPolarHBondContact CE2-CE1 3.48Å; Y239-H243 AromaticContact CE2-ND1 3.45Å; Y239-H243 WeakPolarHBondContact CE2-ND1 3.35Å; Y239-H243 AromaticContact CG-ND1 3.94Å; Y239-H243 AromaticContact CZ-ND1 3.9Å; Y239-H243 PolarHBondContact O-N 3.19Å; Y239-H243 PolarHBondContact O-ND1 2.85Å
244G94Very high96.9Very high34 Ų3446.1 Ų46.135%0.35124%0.235SC..SBendtrans-85.5-158.2177.100000113.6E240E240-G244 WeakPolarHBondContact O-CA 3.27Å; E240-G244 PolarHBondContact O-N 3.16Å
245P94.2Very high96.6Very high98 Ų9846.8 Ų46.864%0.63624%0.239SC*.SBendtrans-56160174.4-23.533.9000112.5N28 K247N28-P245 PolarHBondContact ND2-O 3.42Å; P245-K247 PolarHBondContact O-N 2.88Å
246P96.1Very high96.4Very high121 Ų12144.3 Ų44.379%0.78622%0.224SC*.  trans-50.2123.3177.7-28.236000112.3N28N28-P246 VanDerWaalsContact OD1-CA 3.28Å; N28-P246 WeakPolarHBondContact OD1-CA 3.29Å
247K96.7Very high96.1Very high79 Ų7938.3 Ų38.334%0.34320%0.201SC..  trans-139.7143176.9-73-174.5179.2-178.80111N28 D55 I56 A241 P245 I249N28-K247 PolarHBondContact ND2-N 2.7Å; N28-K247 PolarHBondContact OD1-N 3.32Å; N28-K247 PolarHBondContact OD1-O 3.08Å; D55-K247 HydrophobicContact CB-CB 4.25Å; D55-K247 HydrophobicContact CB-CD 4.49Å; D55-K247 HydrophobicContact CB-CG 4.28Å; D55-K247 WeakPolarHBondContact OD2-CA 3.12Å; I56-K247 HydrophobicContact CD1-CD 4.2Å; A241-K247 HydrophobicContact CB-CD 4.47Å; P245-K247 PolarHBondContact O-N 2.88Å; K247-I249 HydrophobicContact CB-CG1 4.34Å
248K98Very high95.9Very high112 Ų11237.4 Ų37.449%0.48720%0.197SC..  trans-91.3112.2168.8-73.7172173.7-175.50109.2D53 D55 I56D53-K248 HydrophobicContact CB-CD 4.22Å; D53-K248 WeakPolarHBondContact O-CD 3.22Å; D53-K248 WeakPolarHBondContact OD2-CE 3.28Å; D53-K248 IonicContact OD2-NZ 2.7Å; D53-K248 PolarHBondContact OD2-NZ 2.96Å; D55-K248 PolarHBondContact N-O 2.71Å; D55-K248 PolarHBondContact OD2-N 2.92Å; I56-K248 PolarHBondContact N-O 3.19Å
249I98.7Very high95.8Very high3 Ų338.9 Ų38.92%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-112122.4-179.5-54.4171.9000107.9N28 V30 T31 I56 L238 A241 L242 K247N28-I249 HydrophobicContact CB-CD1 4.23Å; V30-I249 WeakPolarHBondContact CA-O 3.45Å; V30-I249 HydrophobicContact CG1-CG2 4.1Å; V30-I249 HydrophobicContact CG2-CB 4.16Å; V30-I249 HydrophobicContact CG2-CG2 4Å; T31-I249 PolarHBondContact N-O 2.83Å; I56-I249 HydrophobicContact CB-CG1 4.41Å; I56-I249 HydrophobicContact CB-CG2 4.37Å; I56-I249 HydrophobicContact CD1-CG1 4.43Å; I56-I249 WeakPolarHBondContact O-CA 3.46Å; L238-I249 HydrophobicContact CD1-CD1 4.39Å; L238-I249 HydrophobicContact CD1-CG2 4.43Å; A241-I249 HydrophobicContact CB-CD1 3.93Å; L242-I249 HydrophobicContact CD2-CD1 3.91Å; L242-I249 HydrophobicContact CG-CD1 4.48Å; K247-I249 HydrophobicContact CB-CG1 4.34Å
250L98.7Very high95.7Very high4 Ų432.6 Ų32.62%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-112.1137.6-179.8179.964000109.9T31 V33 V47 L50 A51 A54 I56 V57 C58T31-L250 HydrophobicContact CG2-CD1 3.9Å; T31-L250 CarbonylContact O-C 3.57Å; T31-L250 WeakPolarHBondContact O-CA 3.4Å; V33-L250 HydrophobicContact CG2-CD1 3.83Å; V47-L250 HydrophobicContact CG1-CD2 4.04Å; L50-L250 HydrophobicContact CB-CD1 4.08Å; L50-L250 HydrophobicContact CB-CD2 3.76Å; L50-L250 HydrophobicContact CD1-CD1 4.05Å; A51-L250 HydrophobicContact CB-CD2 4.25Å; A54-L250 HydrophobicContact CB-CB 4.26Å; I56-L250 PolarHBondContact O-N 3.19Å; V57-L250 CarbonylContact C-O 3.57Å; V57-L250 WeakPolarHBondContact CA-O 3.48Å; V57-L250 HydrophobicContact CG1-CD2 4.37Å; V57-L250 HydrophobicContact CG2-CB 4.21Å; V57-L250 HydrophobicContact CG2-CD2 4.26Å; C58-L250 PolarHBondContact N-O 3.44Å
251V98.5Very high95.7Very high0 Ų030.5 Ų30.50%017%0.171CC..EExtended strand (participates in β ladder)trans-111.6124.9171.9177.30000109.8V30 T31 V32 V33 C58 C60 V279 L283V30-V251 HydrophobicContact CG1-CB 4.29Å; V30-V251 HydrophobicContact CG1-CG2 3.27Å; T31-V251 PolarHBondContact O-N 3.08Å; V32-V251 HydrophobicContact CG1-CB 4.25Å; V32-V251 HydrophobicContact CG1-CG1 4.33Å; V32-V251 HydrophobicContact CG2-CB 4.33Å; V33-V251 PolarHBondContact N-O 3.36Å; C58-V251 HydrophobicContact CB-CG2 3.99Å; C58-V251 WeakPolarHBondContact O-CA 3.31Å; C60-V251 HydrophobicContact CB-CG1 4.34Å; V251-V279 HydrophobicContact CB-CG1 4.36Å; V251-V279 HydrophobicContact CG1-CG1 3.98Å; V251-V279 HydrophobicContact CG1-CG2 4.09Å; V251-V279 HydrophobicContact CG2-CG1 3.97Å; V251-L283 HydrophobicContact CG2-CD1 3.57Å
252E97Very high95.6Very high1 Ų135.6 Ų35.61%0.00520%0.198CC..EExtended strand (participates in β ladder)trans-98.3107.8173.2174.2-177.7170.900109.1V47 C58 H68 P83 S84V47-E252 HydrophobicContact CG1-CB 4.24Å; V47-E252 HydrophobicContact CG1-CG 4.29Å; V47-E252 HydrophobicContact CG2-CB 4.2Å; V47-E252 HydrophobicContact CG2-CG 4.06Å; C58-E252 PolarHBondContact O-N 3.29Å; H68-E252 IonicContact CE1-OE1 3.46Å; H68-E252 PolarHBondContact CE1-OE1 3.06Å; H68-E252 IonicContact CG-OE1 2.98Å; H68-E252 IonicContact ND1-OE1 3.68Å; H68-E252 PolarHBondContact ND1-OE1 2.98Å; P83-E252 VanDerWaalsContact CA-OE2 3.28Å; P83-E252 WeakPolarHBondContact CA-OE2 3.5Å; S84-E252 PolarHBondContact N-OE2 3.33Å; S84-E252 PolarHBondContact OG-OE2 3.26Å
253G95.4Very high95.5Very high1 Ų139.4 Ų39.41%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-69.3130.5172.500000111.2V33 K43 H68V33-G253 PolarHBondContact O-N 3.13Å; K43-G253 WeakPolarHBondContact CE-O 3.32Å; H68-G253 PolarHBondContact CE1-O 3.39Å
254A90.1Very high95.4Very high1 Ų136.5 Ų36.51%0.00821%0.205CC..EExtended strand (participates in β ladder)trans-68.3-43.4-179.100000113.1Q61 A66 H68Q61-A254 HydrophobicContact CG-CB 4.45Å; Q61-A254 VanDerWaalsContact O-CB 3.3Å; Q61-A254 WeakPolarHBondContact O-CB 3.41Å; A66-A254 HydrophobicContact CB-CB 3.79Å; A66-A254 WeakPolarHBondContact CB-O 3.49Å; H68-A254 PolarHBondContact NE2-O 3.47Å
255N91.9Very high95.3Very high14 Ų1435.5 Ų35.58%0.07519%0.192CC..EExtended strand (participates in β ladder)trans-119.5-152.8178.7-6987.7000109.6K43 L259 T270 C274K43-N255 WeakPolarHBondContact CE-O 3.2Å; K43-N255 PolarHBondContact NZ-O 2.92Å; N255-L259 HydrophobicContact CB-CB 4.36Å; N255-L259 HydrophobicContact CB-CD1 4.23Å; N255-T270 HydrophobicContact CB-CG2 4.28Å; N255-C274 HydrophobicContact CB-CB 4.37Å
256A94Very high95.2Very high0 Ų038 Ų380%019%0.19CC..EExtended strand (participates in β ladder)trans-137.1168.1-177.300000111.5G35 Q37 G39 E41 L258 L259 D260 C274G35-A256 WeakPolarHBondContact O-CA 3.05Å; G35-A256 VanDerWaalsContact O-CB 3.27Å; G35-A256 WeakPolarHBondContact O-CB 3.39Å; Q37-A256 WeakPolarHBondContact O-CB 3.37Å; G39-A256 VanDerWaalsContact CA-CB 3.43Å; E41-A256 WeakPolarHBondContact OE1-CB 3.06Å; A256-L258 VanDerWaalsContact C-N 3.27Å; A256-L258 PolarHBondContact O-N 3.18Å; A256-L259 PolarHBondContact O-N 3.2Å; A256-D260 PolarHBondContact O-N 3.13Å; A256-C274 VanDerWaalsContact O-CB 3.24Å; A256-C274 WeakPolarHBondContact O-CB 3.49Å
257A93.6Very high95Very high1 Ų134.4 Ų34.41%0.00817%0.167CC..G310 helixtrans-52.6-40.1-173.700000113.5G35 L259 D260 T275 A349G35-A257 PolarHBondContact O-N 3.3Å; G35-A257 VanDerWaalsContact O-N 3.09Å; A257-L259 PolarHBondContact O-N 2.84Å; A257-D260 WeakPolarHBondContact O-CB 3.11Å; A257-D260 PolarHBondContact O-N 3.46Å; A257-T275 HydrophobicContact CB-CG2 4.36Å; A257-A349 HydrophobicContact CB-CB 4Å
258L94.7Very high94.7Very high3 Ų332.3 Ų32.32%0.01616%0.158CC..G310 helixtrans-80.7-2.7-176.8-52.8177.6000114Q37 W38 A256 G264 T265 L345 Y348Q37-L258 WeakPolarHBondContact O-CB 3.34Å; Q37-L258 WeakPolarHBondContact O-CG 3.27Å; Q37-L258 PolarHBondContact O-N 3Å; W38-L258 VanDerWaalsContact CD1-CB 3.49Å; W38-L258 HydrophobicContact CD2-CB 4.07Å; W38-L258 HydrophobicContact CD2-CD1 3.84Å; W38-L258 HydrophobicContact CE3-CD1 4.09Å; W38-L258 HydrophobicContact CG-CB 3.98Å; W38-L258 HydrophobicContact CG-CD1 4.48Å; W38-L258 HydrophobicContact CH2-CD1 3.98Å; W38-L258 HydrophobicContact CZ2-CB 4.3Å; W38-L258 HydrophobicContact CZ2-CD1 3.69Å; W38-L258 HydrophobicContact CZ3-CD1 4.17Å; W38-L258 VanDerWaalsContact NE1-CB 3.25Å; W38-L258 PolarHBondContact NE1-O 3.09Å; A256-L258 VanDerWaalsContact C-N 3.27Å; A256-L258 PolarHBondContact O-N 3.18Å; L258-G264 VanDerWaalsContact C-CA 3.46Å; L258-G264 WeakPolarHBondContact O-CA 3.25Å; L258-T265 PolarHBondContact O-N 3.29Å; L258-T265 VanDerWaalsContact O-N 3.08Å; L258-L345 HydrophobicContact CD1-CB 4.06Å; L258-L345 HydrophobicContact CD1-CD1 3.82Å; L258-L345 HydrophobicContact CD1-CD2 4.13Å; L258-L345 HydrophobicContact CD1-CG 4.21Å; L258-L345 HydrophobicContact CD2-CD2 4.42Å; L258-Y348 HydrophobicContact CD2-CD1 4.03Å; L258-Y348 HydrophobicContact CD2-CE1 4.25Å
259L94.6Very high94.5Very high33 Ų3328.4 Ų28.417%0.17314%0.143CC..G310 helixtrans-103.43166.5-68.6-178.3000112.6W38 N255 A256 A257 V269 T270W38-L259 HydrophobicContact CB-CG 4.35Å; W38-L259 WeakPolarHBondContact O-CD1 3.44Å; N255-L259 HydrophobicContact CB-CB 4.36Å; N255-L259 HydrophobicContact CB-CD1 4.23Å; A256-L259 PolarHBondContact O-N 3.2Å; A257-L259 PolarHBondContact O-N 2.84Å; L259-V269 WeakPolarHBondContact O-CB 3.19Å; L259-T270 HydrophobicContact CB-CG2 4.31Å; L259-T270 WeakPolarHBondContact O-CG2 3.37Å; L259-T270 PolarHBondContact O-N 3.17Å
260D96.5Very high94.3Very high0 Ų028.8 Ų28.80%015%0.146CC..  trans-60.3140.8175.1-171.4-67.1000110.5A256 A257 D262 F263 G264 V269 N273 C274 T275A256-D260 PolarHBondContact O-N 3.13Å; A257-D260 WeakPolarHBondContact O-CB 3.11Å; A257-D260 PolarHBondContact O-N 3.46Å; D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact O-N 3.12Å; D260-D262 PolarHBondContact OD1-N 3.14Å; D260-F263 HydrophobicContact CB-CB 4.18Å; D260-F263 PolarHBondContact OD1-N 2.95Å; D260-G264 VanDerWaalsContact O-CA 3.24Å; D260-G264 WeakPolarHBondContact O-CA 3.48Å; D260-G264 PolarHBondContact O-N 2.89Å; D260-V269 WeakPolarHBondContact O-CB 3.36Å; D260-V269 VanDerWaalsContact O-CG1 3.28Å; D260-V269 WeakPolarHBondContact O-CG1 3.44Å; D260-N273 PolarHBondContact OD1-ND2 2.8Å; D260-N273 VanDerWaalsContact OD2-C 3.31Å; D260-N273 VanDerWaalsContact OD2-CA 3.25Å; D260-N273 WeakPolarHBondContact OD2-CA 3.36Å; D260-C274 HydrophobicContact CB-CB 4.17Å; D260-C274 PolarHBondContact OD2-N 3.09Å; D260-T275 HydrophobicContact CB-CG2 4.24Å; D260-T275 WeakPolarHBondContact OD2-CG2 3.32Å; D260-T275 PolarHBondContact OD2-N 3.25Å; D260-T275 PolarHBondContact OD2-OG1 3.5Å
261I95.9Very high94.1Very high54 Ų5430.2 Ų30.228%0.27716%0.157SC..THydrogen-bonded Turntrans-59.6-35.1-178.5-167.5175.6000113.4T270 S272 N273I261-T270 WeakPolarHBondContact CB-O 3.44Å; I261-S272 PolarHBondContact N-O 3.37Å; I261-N273 WeakPolarHBondContact CG2-ND2 3.08Å
262D95.8Very high94Very high109 Ų10930.2 Ų30.258%0.58316%0.157SC*.THydrogen-bonded Turntrans-98.1-36.7-175.7-64-53.1000111.7D260 N273D260-D262 VanDerWaalsContact C-N 3.26Å; D260-D262 PolarHBondContact O-N 3.12Å; D260-D262 PolarHBondContact OD1-N 3.14Å; D262-N273 PolarHBondContact OD2-ND2 3.03Å
263F95.8Very high94Very high83 Ų8332.7 Ų32.736%0.36417%0.17SC..THydrogen-bonded Turntrans-110-6.9-170-53.1-60.3000114.4D260 T275 Y348 I352D260-F263 HydrophobicContact CB-CB 4.18Å; D260-F263 PolarHBondContact OD1-N 2.95Å; F263-T275 HydrophobicContact CD2-CG2 4.05Å; F263-Y348 WeakPolarHBondContact O-CE1 3.41Å; F263-Y348 PolarHBondContact O-OH 3.29Å; F263-I352 HydrophobicContact CB-CD1 3.69Å; F263-I352 HydrophobicContact CD1-CD1 4.3Å; F263-I352 HydrophobicContact CD2-CG2 4.14Å; F263-I352 HydrophobicContact CE2-CG2 4.36Å; F263-I352 HydrophobicContact CG-CD1 3.94Å
264G93.8Very high94.1Very high15 Ų1532.7 Ų32.716%0.15517%0.169CC..SBendtrans-82.5-172.7178.600000113.5L258 D260 Y266L258-G264 VanDerWaalsContact C-CA 3.46Å; L258-G264 WeakPolarHBondContact O-CA 3.25Å; D260-G264 VanDerWaalsContact O-CA 3.24Å; D260-G264 WeakPolarHBondContact O-CA 3.48Å; D260-G264 PolarHBondContact O-N 2.89Å; G264-Y266 PolarHBondContact O-N 2.84Å
265T91.5Very high94.5Very high13 Ų1332.9 Ų32.98%0.0817%0.17CC..SBendtrans-77.968.6176.355.80000111.4W38 L258 F268 R303 L395W38-T265 HydrophobicContact CZ2-CG2 3.98Å; L258-T265 PolarHBondContact O-N 3.29Å; L258-T265 VanDerWaalsContact O-N 3.08Å; T265-F268 CarbonylContact O-C 3.48Å; T265-F268 WeakPolarHBondContact O-CA 2.89Å; T265-F268 PolarHBondContact O-N 2.95Å; T265-R303 PolarHBondContact OG1-NH1 2.82Å; T265-R303 PolarHBondContact OG1-NH2 2.7Å; T265-L395 HydrophobicContact CG2-CD2 4.11Å
266Y92.5Very high94.7Very high150 Ų15033.6 Ų33.659%0.58818%0.175SC*.THydrogen-bonded Turntrans-58.4137.3-179.3-176.4-85.6000111G264 V269G264-Y266 PolarHBondContact O-N 2.84Å; Y266-V269 HydrophobicContact CD2-CG2 3.91Å
267P91.3Very high94.9Very high47 Ų4735.5 Ų35.531%0.30520%0.195SC..THydrogen-bonded Turncis-89.87.77.836.1-36.8000115.4L159 V269L159-P267 HydrophobicContact CD2-CB 4.08Å; L159-P267 HydrophobicContact CD2-CG 4.06Å; P267-V269 VanDerWaalsContact C-N 3.26Å; P267-V269 PolarHBondContact O-N 3.48Å; P267-V269 VanDerWaalsContact O-N 3.08Å
268F91.1Very high95.1Very high35 Ų3535.6 Ų35.615%0.15420%0.196CC..SBendtrans-89.457.9-176-54.8-64.1000112.3L159 T265 I306 Q392L159-F268 HydrophobicContact CD2-CD1 3.79Å; L159-F268 HydrophobicContact CD2-CE1 3.68Å; T265-F268 CarbonylContact O-C 3.48Å; T265-F268 WeakPolarHBondContact O-CA 2.89Å; T265-F268 PolarHBondContact O-N 2.95Å; F268-I306 HydrophobicContact CD1-CD1 3.71Å; F268-I306 HydrophobicContact CD1-CG1 3.61Å; F268-I306 HydrophobicContact CE1-CD1 3.15Å; F268-I306 HydrophobicContact CE1-CG1 3.58Å; F268-I306 HydrophobicContact CG-CG1 4.29Å; F268-I306 HydrophobicContact CZ-CD1 3.73Å; F268-I306 HydrophobicContact CZ-CG1 4.18Å; F268-Q392 VanDerWaalsContact CD2-CD 3.42Å
269V93.1Very high95.3Very high29 Ų2935.4 Ų35.418%0.17620%0.195CC..SBendtrans-131.4167.3-172.5-66.30000109.8L259 D260 Y266 P267L259-V269 WeakPolarHBondContact O-CB 3.19Å; D260-V269 WeakPolarHBondContact O-CB 3.36Å; D260-V269 VanDerWaalsContact O-CG1 3.28Å; D260-V269 WeakPolarHBondContact O-CG1 3.44Å; Y266-V269 HydrophobicContact CD2-CG2 3.91Å; P267-V269 VanDerWaalsContact C-N 3.26Å; P267-V269 PolarHBondContact O-N 3.48Å; P267-V269 VanDerWaalsContact O-N 3.08Å
270T93.9Very high95.5Very high11 Ų1134.8 Ų34.87%0.06719%0.193CC..  trans-78164.4166.5-177.80000109.7N65 N255 L259 I261 S272 C274N65-T270 PolarHBondContact ND2-OG1 3.5Å; N255-T270 HydrophobicContact CB-CG2 4.28Å; L259-T270 HydrophobicContact CB-CG2 4.31Å; L259-T270 WeakPolarHBondContact O-CG2 3.37Å; L259-T270 PolarHBondContact O-N 3.17Å; I261-T270 WeakPolarHBondContact CB-O 3.44Å; T270-S272 WeakPolarHBondContact CG2-OG 3.32Å; T270-S272 PolarHBondContact O-N 3.25Å; T270-S272 PolarHBondContact OG1-OG 2.65Å; T270-C274 WeakPolarHBondContact CG2-SG 3.47Å
271S95.8Very high95.5Very high35 Ų3539.3 Ų39.325%0.24522%0.221CC..SBendtrans-84.422.5179.4-51.90000113.4G167 Y170G167-S271 VanDerWaalsContact CA-OG 3.32Å; G167-S271 WeakPolarHBondContact CA-OG 3.5Å; Y170-S271 WeakPolarHBondContact CD1-O 3.41Å; Y170-S271 WeakPolarHBondContact CE1-O 3.37Å; Y170-S271 VanDerWaalsContact CG-O 3.24Å
272S96.2Very high95.6Very high0 Ų036.9 Ų36.90%021%0.209CC..SBendtrans-132.9156.1-173.6660000111.7Y170 I261 T270 C274Y170-S272 VanDerWaalsContact CZ-CB 3.47Å; Y170-S272 WeakPolarHBondContact OH-CB 3.21Å; I261-S272 PolarHBondContact N-O 3.37Å; T270-S272 WeakPolarHBondContact CG2-OG 3.32Å; T270-S272 PolarHBondContact O-N 3.25Å; T270-S272 PolarHBondContact OG1-OG 2.65Å; S272-C274 PolarHBondContact O-SG 2.82Å
273N97Very high95.8Very high53 Ų5331.7 Ų31.728%0.28318%0.182SC..  trans-82.8117.8174.2-59.995.2000111.1Q61 D260 I261 D262Q61-N273 WeakPolarHBondContact CB-O 3.41Å; Q61-N273 WeakPolarHBondContact CG-O 3.36Å; D260-N273 PolarHBondContact OD1-ND2 2.8Å; D260-N273 VanDerWaalsContact OD2-C 3.31Å; D260-N273 VanDerWaalsContact OD2-CA 3.25Å; D260-N273 WeakPolarHBondContact OD2-CA 3.36Å; I261-N273 WeakPolarHBondContact CG2-ND2 3.08Å; D262-N273 PolarHBondContact OD2-ND2 3.03Å
274C96.8Very high95.8Very high0 Ų029.5 Ų29.50%018%0.182CC..  trans-10721.1-172.4-56.80000113.4N255 A256 D260 T270 S272N255-C274 HydrophobicContact CB-CB 4.37Å; A256-C274 VanDerWaalsContact O-CB 3.24Å; A256-C274 WeakPolarHBondContact O-CB 3.49Å; D260-C274 HydrophobicContact CB-CB 4.17Å; D260-C274 PolarHBondContact OD2-N 3.09Å; T270-C274 WeakPolarHBondContact CG2-SG 3.47Å; S272-C274 PolarHBondContact O-SG 2.82Å
275T97.8Very high95.9Very high5 Ų529.3 Ų29.33%0.03118%0.177CC..SBendtrans-115.7174.5-178.654.60000111.4A257 D260 F263 G277 G278 V279 I352 N353A257-T275 HydrophobicContact CB-CG2 4.36Å; D260-T275 HydrophobicContact CB-CG2 4.24Å; D260-T275 WeakPolarHBondContact OD2-CG2 3.32Å; D260-T275 PolarHBondContact OD2-N 3.25Å; D260-T275 PolarHBondContact OD2-OG1 3.5Å; F263-T275 HydrophobicContact CD2-CG2 4.05Å; T275-G277 PolarHBondContact O-N 3.41Å; T275-G277 VanDerWaalsContact O-N 3.16Å; T275-G278 WeakPolarHBondContact O-CA 3.2Å; T275-G278 PolarHBondContact O-N 3.17Å; T275-V279 PolarHBondContact O-N 3.08Å; T275-I352 HydrophobicContact CG2-CG2 3.56Å; T275-N353 WeakPolarHBondContact CA-OD1 3.49Å; T275-N353 VanDerWaalsContact CB-OD1 3.26Å; T275-N353 WeakPolarHBondContact CB-OD1 3.43Å
276V97.8Very high96.1Very high29 Ų2931.4 Ų31.418%0.17619%0.191CC..Hα-helixtrans-56.6-30.2179.371.80000113.3L34 G278 V279 C280 V290 V293 N353L34-V276 HydrophobicContact CD1-CB 4.45Å; V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 2.8Å; V276-V279 WeakPolarHBondContact O-CB 3.44Å; V276-V279 PolarHBondContact O-N 2.99Å; V276-C280 PolarHBondContact O-N 2.87Å; V276-C280 PolarHBondContact O-SG 2.74Å; V276-V290 HydrophobicContact CG2-CG1 3.9Å; V276-V290 HydrophobicContact CG2-CG2 4.19Å; V276-V293 HydrophobicContact CG2-CG2 4.3Å; V276-N353 PolarHBondContact N-OD1 3.41Å
277G97.8Very high96.2Very high40 Ų4028.7 Ų28.741%0.41219%0.192SC..Hα-helixtrans-64.9-36.3172.100000113T275 V279 C280 T281T275-G277 PolarHBondContact O-N 3.41Å; T275-G277 VanDerWaalsContact O-N 3.16Å; G277-V279 VanDerWaalsContact C-N 3.29Å; G277-V279 PolarHBondContact O-N 3.33Å; G277-C280 PolarHBondContact O-N 3.18Å; G277-T281 PolarHBondContact O-N 3.34Å; G277-T281 PolarHBondContact O-OG1 3.29Å; G277-T281 VanDerWaalsContact O-OG1 3.13Å
278G98Very high96.4Very high3 Ų332.6 Ų32.63%0.03121%0.206CC..Hα-helixtrans-64.8-30.9172.400000113T275 V276 G282T275-G278 WeakPolarHBondContact O-CA 3.2Å; T275-G278 PolarHBondContact O-N 3.17Å; V276-G278 VanDerWaalsContact C-N 3.33Å; V276-G278 PolarHBondContact O-N 2.8Å; G278-G282 VanDerWaalsContact O-CA 3.28Å; G278-G282 WeakPolarHBondContact O-CA 3.49Å; G278-G282 PolarHBondContact O-N 3.01Å
279V98.4Very high96.6Very high0 Ų031.4 Ų31.40%020%0.202CC..Hα-helixtrans-63.5-47.9173.2179.50000111V32 L34 V251 T275 V276 G277 L283 M285V32-V279 HydrophobicContact CG1-CG2 3.71Å; V32-V279 HydrophobicContact CG2-CG1 4.27Å; L34-V279 HydrophobicContact CD2-CG2 4.45Å; V251-V279 HydrophobicContact CB-CG1 4.36Å; V251-V279 HydrophobicContact CG1-CG1 3.98Å; V251-V279 HydrophobicContact CG1-CG2 4.09Å; V251-V279 HydrophobicContact CG2-CG1 3.97Å; T275-V279 PolarHBondContact O-N 3.08Å; V276-V279 WeakPolarHBondContact O-CB 3.44Å; V276-V279 PolarHBondContact O-N 2.99Å; G277-V279 VanDerWaalsContact C-N 3.29Å; G277-V279 PolarHBondContact O-N 3.33Å; V279-L283 HydrophobicContact CG1-CD1 3.85Å; V279-L283 WeakPolarHBondContact O-CB 3Å; V279-L283 WeakPolarHBondContact O-CG 3.36Å; V279-L283 PolarHBondContact O-N 3.11Å; V279-L283 VanDerWaalsContact O-N 3.08Å; V279-M285 HydrophobicContact CG1-CE 4.47Å; V279-M285 HydrophobicContact CG1-SD 4.38Å
280C98.2Very high96.8Very high19 Ų1931.4 Ų31.413%0.12820%0.202CC..Hα-helixtrans-62-51.3-178.1-59.70000111.4V276 G277 G284 M285V276-C280 PolarHBondContact O-N 2.87Å; V276-C280 PolarHBondContact O-SG 2.74Å; G277-C280 PolarHBondContact O-N 3.18Å; C280-G284 WeakPolarHBondContact O-CA 3.47Å; C280-G284 PolarHBondContact O-N 3.02Å; C280-M285 PolarHBondContact O-N 3.44Å; C280-M285 VanDerWaalsContact O-N 3.1Å
281T97.6Very high97Very high96 Ų9632.1 Ų32.159%0.58921%0.211SC*.Hα-helixtrans-74.3-30.6-178.155.80000113.1N97 G277N97-T281 PolarHBondContact ND2-O 3.15Å; G277-T281 PolarHBondContact O-N 3.34Å; G277-T281 PolarHBondContact O-OG1 3.29Å; G277-T281 VanDerWaalsContact O-OG1 3.13Å
282G98.3Very high97.1Very high3 Ų334.5 Ų34.53%0.03122%0.218CC..Hα-helixtrans-78-19-179.900000114.7C60 G96 N97 G98 G278C60-G282 VanDerWaalsContact O-CA 3.22Å; C60-G282 WeakPolarHBondContact O-CA 3.47Å; G96-G282 CarbonylContact C-O 3.53Å; G96-G282 WeakPolarHBondContact CA-O 3.15Å; N97-G282 PolarHBondContact N-O 3.27Å; N97-G282 VanDerWaalsContact OD1-C 3.29Å; N97-G282 PolarHBondContact OD1-O 2.87Å; G98-G282 PolarHBondContact N-O 2.8Å; G278-G282 VanDerWaalsContact O-CA 3.28Å; G278-G282 WeakPolarHBondContact O-CA 3.49Å; G278-G282 PolarHBondContact O-N 3.01Å
283L98.4Very high97.2Very high0 Ų034.8 Ų34.80%022%0.22CC..Hα-helixtrans-111.8-13.3175.4-61.6179.9000113.9C58 C60 F94 L238 V251 V279 M285C58-L283 HydrophobicContact CB-CD1 4.15Å; C58-L283 HydrophobicContact CB-CD2 4.05Å; C60-L283 HydrophobicContact CB-CD1 4.13Å; C60-L283 HydrophobicContact CB-CD2 3.61Å; C60-L283 HydrophobicContact CB-CG 3.53Å; F94-L283 HydrophobicContact CD1-CD2 4.13Å; F94-L283 HydrophobicContact CE1-CD2 3.94Å; L238-L283 HydrophobicContact CD2-CB 3.55Å; L238-L283 HydrophobicContact CD2-CD1 4.22Å; L238-L283 HydrophobicContact CD2-CG 4.38Å; V251-L283 HydrophobicContact CG2-CD1 3.57Å; V279-L283 HydrophobicContact CG1-CD1 3.85Å; V279-L283 WeakPolarHBondContact O-CB 3Å; V279-L283 WeakPolarHBondContact O-CG 3.36Å; V279-L283 PolarHBondContact O-N 3.11Å; V279-L283 VanDerWaalsContact O-N 3.08Å; L283-M285 HydrophobicContact CB-CG 4.17Å; L283-M285 HydrophobicContact CB-SD 4.46Å; L283-M285 HydrophobicContact CD1-SD 4.05Å
284G97.1Very high97.3Very high36 Ų3633.1 Ų33.137%0.37121%0.21SC..THydrogen-bonded Turntrans71.134.9-175.600000113.4C280C280-G284 WeakPolarHBondContact O-CA 3.47Å; C280-G284 PolarHBondContact O-N 3.02Å
285M95.7Very high97.3Very high11 Ų1133.1 Ų33.15%0.05421%0.21CC..  trans-111149.7179.663.8176.1-111.700111.9V30 L238 L242 V279 C280 L283 N289 V290V30-M285 HydrophobicContact CB-CE 4.13Å; V30-M285 HydrophobicContact CB-SD 4.4Å; V30-M285 HydrophobicContact CG2-CE 4.04Å; V30-M285 HydrophobicContact CG2-SD 3.89Å; L238-M285 HydrophobicContact CD2-CB 3.96Å; L238-M285 HydrophobicContact CD2-CG 4.38Å; L238-M285 HydrophobicContact CD2-SD 4.28Å; L242-M285 HydrophobicContact CD1-CB 3.87Å; V279-M285 HydrophobicContact CG1-CE 4.47Å; V279-M285 HydrophobicContact CG1-SD 4.38Å; C280-M285 PolarHBondContact O-N 3.44Å; C280-M285 VanDerWaalsContact O-N 3.1Å; L283-M285 HydrophobicContact CB-CG 4.17Å; L283-M285 HydrophobicContact CB-SD 4.46Å; L283-M285 HydrophobicContact CD1-SD 4.05Å; M285-N289 HydrophobicContact CE-CB 4.26Å; M285-V290 HydrophobicContact CE-CB 4.4Å; M285-V290 HydrophobicContact CE-CG2 3.44Å; M285-V290 VanDerWaalsContact CE-CG2 3.44Å
286P95.1Very high97.4Very high57 Ų5732.9 Ų32.937%0.3721%0.208SC..  trans-72.3148.817632.5-36.2000110.6Q288 N289P286-Q288 PolarHBondContact O-N 3.12Å; P286-N289 WeakPolarHBondContact CG-OD1 3.18Å; P286-N289 PolarHBondContact O-N 3.29Å; P286-N289 VanDerWaalsContact O-N 3.09Å
287P95.7Very high97.4Very high94 Ų9431.5 Ų31.561%0.6120%0.2SC*.G310 helixtrans-61.3-23.7-178.224.4-34.7000113N289 V290P287-N289 PolarHBondContact O-N 3.28Å; P287-V290 WeakPolarHBondContact O-CB 3.27Å; P287-V290 WeakPolarHBondContact O-CG2 3.48Å; P287-V290 PolarHBondContact O-N 3.16Å; P287-V290 VanDerWaalsContact O-N 3.15Å
288Q94.1Very high97.4Very high129 Ų12929.6 Ų29.660%0.60318%0.18SC*.G310 helixtrans-61-29.9178.3-52.6179.621.500112.2R29 P286 V290R29-Q288 PolarHBondContact NH1-O 2.65Å; P286-Q288 PolarHBondContact O-N 3.12Å; Q288-V290 VanDerWaalsContact C-N 3.3Å; Q288-V290 PolarHBondContact O-N 2.78Å
289N95.7Very high97.4Very high10 Ų1029.4 Ų29.45%0.05318%0.179CC..G310 helixtrans-80.3-8.2-179.6-7694.5000113.8N28 R29 V30 L242 M285 P286 P287 G291N28-N289 PolarHBondContact O-ND2 3.05Å; R29-N289 CarbonylContact C-O 3.55Å; R29-N289 WeakPolarHBondContact CA-O 3.41Å; V30-N289 PolarHBondContact N-O 2.81Å; L242-N289 HydrophobicContact CD1-CB 4.2Å; L242-N289 HydrophobicContact CD2-CB 3.9Å; M285-N289 HydrophobicContact CE-CB 4.26Å; P286-N289 WeakPolarHBondContact CG-OD1 3.18Å; P286-N289 PolarHBondContact O-N 3.29Å; P286-N289 VanDerWaalsContact O-N 3.09Å; P287-N289 PolarHBondContact O-N 3.28Å; N289-G291 PolarHBondContact O-N 3.1Å
290V97.6Very high97.4Very high29 Ų2929.4 Ų29.418%0.17618%0.179CC..EExtended strand (participates in β ladder)trans-63.5123.9171.4-178.80000108.3V32 V276 M285 P287 Q288 V293V32-V290 HydrophobicContact CG2-CG1 4.19Å; V276-V290 HydrophobicContact CG2-CG1 3.9Å; V276-V290 HydrophobicContact CG2-CG2 4.19Å; M285-V290 HydrophobicContact CE-CB 4.4Å; M285-V290 HydrophobicContact CE-CG2 3.44Å; M285-V290 VanDerWaalsContact CE-CG2 3.44Å; P287-V290 WeakPolarHBondContact O-CB 3.27Å; P287-V290 WeakPolarHBondContact O-CG2 3.48Å; P287-V290 PolarHBondContact O-N 3.16Å; P287-V290 VanDerWaalsContact O-N 3.15Å; Q288-V290 VanDerWaalsContact C-N 3.3Å; Q288-V290 PolarHBondContact O-N 2.78Å; V290-V293 HydrophobicContact CG1-CG2 3.65Å
291G97Very high97.3Very high26 Ų2628.5 Ų28.527%0.26817%0.173SC..EExtended strand (participates in β ladder)trans-98.4-121.7173.800000110.2V30 N289V30-G291 WeakPolarHBondContact O-CA 3.31Å; V30-G291 PolarHBondContact O-N 2.88Å; N289-G291 PolarHBondContact O-N 3.1Å
292E98.3Very high97.2Very high84 Ų8424 Ų2439%0.39315%0.145SC..EExtended strand (participates in β ladder)trans-72.3134.5179.8-54.8-56.5167.100112.1T31 V32 Y294 T356T31-E292 CarbonylContact C-O 3.59Å; T31-E292 WeakPolarHBondContact CA-O 3.23Å; V32-E292 PolarHBondContact N-O 3.04Å; E292-Y294 HydrophobicContact CB-CE1 4.22Å; E292-Y294 HydrophobicContact CB-CE2 3.95Å; E292-T356 WeakPolarHBondContact OE2-CB 2.89Å; E292-T356 WeakPolarHBondContact OE2-CG2 3.2Å; E292-T356 PolarHBondContact OE2-OG1 3.47Å
293V98.7Very high97Very high7 Ų724 Ų244%0.04214%0.144CC..EExtended strand (participates in β ladder)trans-114.5109.8175.5-171.30000108.8V32 L34 V276 V290 F355 T356V32-V293 HydrophobicContact CB-CG1 4.33Å; V32-V293 HydrophobicContact CB-CG2 4.41Å; L34-V293 HydrophobicContact CD1-CG1 4.33Å; V276-V293 HydrophobicContact CG2-CG2 4.3Å; V290-V293 HydrophobicContact CG1-CG2 3.65Å; V293-F355 HydrophobicContact CG1-CD1 3.96Å; V293-F355 HydrophobicContact CG1-CE1 4.37Å; V293-F355 CarbonylContact O-C 3.47Å; V293-F355 WeakPolarHBondContact O-CA 3.48Å; V293-T356 PolarHBondContact N-OG1 3.46Å; V293-T356 VanDerWaalsContact N-OG1 3.16Å; V293-T356 PolarHBondContact O-N 2.76Å
294Y98.7Very high96.4Very high17 Ų1726.2 Ų26.27%0.06716%0.157CC..EExtended strand (participates in β ladder)trans-97.8123.1179.3-60.4-55.8000111.3T31 V32 L34 L50 E292 A357 K441 W442T31-Y294 HydrophobicContact CG2-CD2 3.68Å; T31-Y294 HydrophobicContact CG2-CE2 3.49Å; T31-Y294 VanDerWaalsContact CG2-CE2 3.49Å; V32-Y294 PolarHBondContact O-N 3.32Å; L34-Y294 PolarHBondContact N-O 3.04Å; L50-Y294 HydrophobicContact CD1-CD2 3.94Å; L50-Y294 HydrophobicContact CD1-CE2 4.21Å; E292-Y294 HydrophobicContact CB-CE1 4.22Å; E292-Y294 HydrophobicContact CB-CE2 3.95Å; Y294-A357 WeakPolarHBondContact CA-O 3.36Å; Y294-A357 HydrophobicContact CD1-CB 3.96Å; Y294-A357 HydrophobicContact CE1-CB 4.02Å; Y294-K441 HydrophobicContact CE1-CD 3.85Å; Y294-K441 PolarHBondContact OH-NZ 2.73Å; Y294-W442 HydrophobicContact CD1-CH2 4.19Å; Y294-W442 AromaticContact CD1-CZ3 3.65Å; Y294-W442 HydrophobicContact CD1-CZ3 3.65Å; Y294-W442 AromaticContact CD2-CH2 3.9Å; Y294-W442 HydrophobicContact CD2-CH2 3.9Å; Y294-W442 AromaticContact CD2-CZ3 3.87Å; Y294-W442 HydrophobicContact CD2-CZ3 3.87Å; Y294-W442 AromaticContact CE1-CH2 3.94Å; Y294-W442 HydrophobicContact CE1-CH2 3.94Å; Y294-W442 AromaticContact CE1-CZ3 3.81Å; Y294-W442 HydrophobicContact CE1-CZ3 3.81Å; Y294-W442 AromaticContact CE2-CH2 3.64Å; Y294-W442 HydrophobicContact CE2-CH2 3.64Å; Y294-W442 HydrophobicContact CE2-CZ3 4.03Å; Y294-W442 HydrophobicContact CG-CH2 4.16Å; Y294-W442 AromaticContact CG-CZ3 3.67Å; Y294-W442 HydrophobicContact CG-CZ3 3.67Å; Y294-W442 AromaticContact CZ-CH2 3.66Å
295G98.5Very high95.7Very high0 Ų025.5 Ų25.50%015%0.15CC..EExtended strand (participates in β ladder)trans-91116.6174.600000110.9A357 L358 A359G295-A357 PolarHBondContact N-O 2.8Å; G295-L358 CarbonylContact O-C 3.57Å; G295-L358 VanDerWaalsContact O-CA 3.25Å; G295-L358 WeakPolarHBondContact O-CA 3.4Å; G295-A359 PolarHBondContact O-N 3.06Å
296V98.3Very high95.1Very high0 Ų028 Ų280%016%0.163CC..EExtended strand (participates in β ladder)trans-86.2123.6173.7-167.90000108.7V33 L34 A36 E41 K43 V46 A359 T361V33-V296 HydrophobicContact CG1-CG2 3.47Å; V33-V296 VanDerWaalsContact CG1-CG2 3.47Å; L34-V296 PolarHBondContact O-N 3.15Å; A36-V296 PolarHBondContact N-O 3.39Å; E41-V296 HydrophobicContact CB-CB 4.23Å; E41-V296 HydrophobicContact CB-CG1 3.82Å; E41-V296 WeakPolarHBondContact CB-O 3.39Å; E41-V296 WeakPolarHBondContact CG-O 3.38Å; E41-V296 WeakPolarHBondContact O-CG1 3.28Å; K43-V296 HydrophobicContact CB-CG2 4.4Å; K43-V296 HydrophobicContact CG-CB 3.95Å; K43-V296 HydrophobicContact CG-CG1 4.34Å; K43-V296 HydrophobicContact CG-CG2 3.92Å; V46-V296 HydrophobicContact CB-CG2 4.26Å; V46-V296 HydrophobicContact CG2-CG1 4.21Å; V46-V296 HydrophobicContact CG2-CG2 4Å; V296-A359 HydrophobicContact CG2-CB 4.44Å; V296-T361 HydrophobicContact CG1-CG2 3.7Å
297V98.3Very high94.7Very high0 Ų025.9 Ų25.90%015%0.152CC..EExtended strand (participates in β ladder)trans-126.3129.9-174.3-173.90000107.6A36 L341 L346 L358 A359 L360 T361A36-V297 HydrophobicContact CB-CG2 3.81Å; V297-L341 HydrophobicContact CG1-CD1 4.1Å; V297-L346 HydrophobicContact CG1-CD1 3.56Å; V297-L346 HydrophobicContact CG1-CD2 3.85Å; V297-L346 HydrophobicContact CG1-CG 4.37Å; V297-L346 HydrophobicContact CG2-CD1 4.49Å; V297-L346 HydrophobicContact CG2-CD2 4.19Å; V297-L358 HydrophobicContact CG2-CB 4.29Å; V297-L358 HydrophobicContact CG2-CD1 4.21Å; V297-L358 HydrophobicContact CG2-CD2 3.88Å; V297-L358 HydrophobicContact CG2-CG 4.34Å; V297-A359 PolarHBondContact N-O 3.34Å; V297-L360 HydrophobicContact CB-CD1 4.24Å; V297-L360 HydrophobicContact CG1-CD1 4.12Å; V297-L360 CarbonylContact O-C 3.58Å; V297-L360 WeakPolarHBondContact O-CA 3.4Å; V297-T361 PolarHBondContact O-N 2.85Å; V297-T361 PolarHBondContact O-OG1 2.84Å
298K97.2Very high94.4Very high0 Ų021.4 Ų21.40%012%0.122CC..EExtended strand (participates in β ladder)trans-80.7141.7167.7-172.3-179.9-61.3-176.60108.8D40 E41 Y300 T302 E327 L341 K362D40-K298 WeakPolarHBondContact O-CE 3.43Å; D40-K298 PolarHBondContact O-NZ 3.14Å; D40-K298 IonicContact OD2-NZ 3.87Å; D40-K298 PolarHBondContact OD2-NZ 3.48Å; E41-K298 HydrophobicContact CB-CB 4.35Å; K298-Y300 CarbonylContact C-O 3.19Å; K298-Y300 WeakPolarHBondContact CB-O 3.38Å; K298-Y300 HydrophobicContact CD-CD1 4.18Å; K298-Y300 HydrophobicContact CD-CD2 4.07Å; K298-Y300 HydrophobicContact CD-CE1 3.78Å; K298-Y300 HydrophobicContact CD-CE2 3.7Å; K298-Y300 HydrophobicContact CD-CG 4.31Å; K298-Y300 HydrophobicContact CG-CD1 3.94Å; K298-Y300 HydrophobicContact CG-CE1 3.8Å; K298-Y300 HydrophobicContact CG-CE2 4.5Å; K298-Y300 HydrophobicContact CG-CG 4.33Å; K298-Y300 WeakPolarHBondContact CG-O 3.26Å; K298-Y300 PolarHBondContact O-N 3.09Å; K298-T302 HydrophobicContact CD-CG2 3.91Å; K298-T302 WeakPolarHBondContact CE-OG1 3.41Å; K298-T302 PolarHBondContact NZ-OG1 2.64Å; K298-E327 IonicContact NZ-OE1 2.86Å; K298-E327 PolarHBondContact NZ-OE1 3.04Å; K298-E327 IonicContact NZ-OE2 2.89Å; K298-E327 PolarHBondContact NZ-OE2 2.97Å; K298-L341 WeakPolarHBondContact O-CD1 3.4Å; K298-K362 HydrophobicContact CD-CD 4.15Å; K298-K362 HydrophobicContact CG-CB 4.09Å; K298-K362 HydrophobicContact CG-CD 4.33Å; K298-K362 HydrophobicContact CG-CG 4.45Å
299A98.2Very high94.5Very high0 Ų015.7 Ų15.70%010%0.096CC..SBendtrans-60.2-12.6-178.300000114.4L360 T361 L363 L366 Y428A299-L360 HydrophobicContact CB-CD1 4.2Å; A299-L360 HydrophobicContact CB-CG 4.29Å; A299-T361 WeakPolarHBondContact CB-O 3.07Å; A299-T361 PolarHBondContact N-O 3.44Å; A299-L363 HydrophobicContact CB-CB 4.44Å; A299-L363 HydrophobicContact CB-CD1 3.97Å; A299-L366 HydrophobicContact CB-CD1 3.94Å; A299-Y428 HydrophobicContact CB-CE1 4.39Å; A299-Y428 PolarHBondContact O-OH 2.87Å
300Y98.2Very high94.5Very high0 Ų016.4 Ų16.40%010%0.101CC..SBendtrans-137.4174.4170.258.8-79.9000107.9Q37 K298 T302 L321 G325 E327 K362 I365 L366Q37-Y300 PolarHBondContact NE2-O 3.21Å; K298-Y300 CarbonylContact C-O 3.19Å; K298-Y300 WeakPolarHBondContact CB-O 3.38Å; K298-Y300 HydrophobicContact CD-CD1 4.18Å; K298-Y300 HydrophobicContact CD-CD2 4.07Å; K298-Y300 HydrophobicContact CD-CE1 3.78Å; K298-Y300 HydrophobicContact CD-CE2 3.7Å; K298-Y300 HydrophobicContact CD-CG 4.31Å; K298-Y300 HydrophobicContact CG-CD1 3.94Å; K298-Y300 HydrophobicContact CG-CE1 3.8Å; K298-Y300 HydrophobicContact CG-CE2 4.5Å; K298-Y300 HydrophobicContact CG-CG 4.33Å; K298-Y300 WeakPolarHBondContact CG-O 3.26Å; K298-Y300 PolarHBondContact O-N 3.09Å; Y300-T302 HydrophobicContact CD2-CG2 3.76Å; Y300-T302 HydrophobicContact CE2-CG2 3.37Å; Y300-L321 HydrophobicContact CD1-CD2 4.28Å; Y300-L321 HydrophobicContact CD2-CB 4.31Å; Y300-L321 HydrophobicContact CD2-CD1 4.24Å; Y300-L321 HydrophobicContact CD2-CD2 4.06Å; Y300-L321 HydrophobicContact CD2-CG 4.45Å; Y300-L321 HydrophobicContact CE2-CB 4.25Å; Y300-L321 HydrophobicContact CE2-CD2 4.43Å; Y300-L321 HydrophobicContact CG-CD2 3.96Å; Y300-G325 WeakPolarHBondContact OH-CA 3.46Å; Y300-E327 HydrophobicContact CE2-CG 4.3Å; Y300-E327 PolarHBondContact OH-OE1 2.86Å; Y300-K362 HydrophobicContact CE1-CB 3.98Å; Y300-K362 HydrophobicContact CE1-CD 4.44Å; Y300-I365 HydrophobicContact CD1-CB 4.41Å; Y300-I365 HydrophobicContact CD1-CG2 4.42Å; Y300-I365 HydrophobicContact CE1-CB 3.64Å; Y300-I365 HydrophobicContact CE1-CG1 3.94Å; Y300-I365 HydrophobicContact CE1-CG2 3.66Å; Y300-L366 HydrophobicContact CD1-CD2 4.26Å
301T97.6Very high94.5Very high0 Ų015 Ų150%09%0.092CC..EExtended strand (participates in β ladder)trans-102.7143.4-175.6-49.30000110.8Q37 W38 F309 G339 W340 L341 D342Q37-T301 PolarHBondContact NE2-OG1 2.94Å; W38-T301 HydrophobicContact CE3-CG2 3.96Å; W38-T301 HydrophobicContact CZ3-CG2 3.48Å; W38-T301 VanDerWaalsContact CZ3-CG2 3.48Å; T301-F309 HydrophobicContact CG2-CD2 4.31Å; T301-F309 HydrophobicContact CG2-CE2 3.34Å; T301-F309 HydrophobicContact CG2-CZ 3.65Å; T301-F309 WeakPolarHBondContact O-CZ 3.49Å; T301-G339 PolarHBondContact N-O 3.48Å; T301-G339 PolarHBondContact O-N 3.08Å; T301-W340 VanDerWaalsContact CB-O 3.25Å; T301-W340 WeakPolarHBondContact CB-O 3.14Å; T301-W340 PolarHBondContact OG1-O 3.34Å; T301-L341 WeakPolarHBondContact OG1-CA 3.34Å; T301-D342 PolarHBondContact OG1-N 3.25Å
302T95.7Very high94.6Very high0 Ų016.5 Ų16.50%09%0.092CC..EExtended strand (participates in β ladder)trans-140.9152.417647.80000110.5D40 K298 Y300 E327 R337D40-T302 VanDerWaalsContact CG-OG1 3.29Å; D40-T302 PolarHBondContact OD1-OG1 2.99Å; D40-T302 VanDerWaalsContact OD2-CB 3.26Å; D40-T302 WeakPolarHBondContact OD2-CB 3.08Å; D40-T302 PolarHBondContact OD2-OG1 2.97Å; K298-T302 HydrophobicContact CD-CG2 3.91Å; K298-T302 WeakPolarHBondContact CE-OG1 3.41Å; K298-T302 PolarHBondContact NZ-OG1 2.64Å; Y300-T302 HydrophobicContact CD2-CG2 3.76Å; Y300-T302 HydrophobicContact CE2-CG2 3.37Å; T302-E327 HydrophobicContact CG2-CG 4.02Å; T302-R337 CarbonylContact C-O 3.39Å; T302-R337 WeakPolarHBondContact CA-O 3.39Å
303R92.1Very high94.5Very high3 Ų313.9 Ų13.91%0.0118%0.08CC..EExtended strand (participates in β ladder)trans-147.9134.2179.3-173.4176.7170133.916.7110.8W38 T265 I306 A308 F309 R337W38-R303 HydrophobicContact CD2-CB 4.26Å; W38-R303 HydrophobicContact CD2-CG 4Å; W38-R303 HydrophobicContact CE3-CB 3.98Å; W38-R303 HydrophobicContact CE3-CG 4.23Å; W38-R303 HydrophobicContact CG-CG 4.12Å; W38-R303 VanDerWaalsContact CZ2-NH1 3.3Å; W38-R303 HydrophobicContact CZ3-CB 4.44Å; T265-R303 PolarHBondContact OG1-NH1 2.82Å; T265-R303 PolarHBondContact OG1-NH2 2.7Å; R303-I306 PolarHBondContact NE-O 3.01Å; R303-I306 PolarHBondContact NH2-O 3.26Å; R303-I306 VanDerWaalsContact NH2-O 3.08Å; R303-A308 PolarHBondContact NH1-O 2.97Å; R303-F309 HydrophobicContact CB-CD1 3.86Å; R303-F309 HydrophobicContact CB-CE1 4.04Å; R303-F309 HydrophobicContact CB-CG 4.49Å; R303-R337 PolarHBondContact N-O 3.19Å; R303-R337 PolarHBondContact O-N 3.44Å
304V85.9Confident94.4Very high47 Ų4720.9 Ų20.929%0.28512%0.117SC..  trans-87.7138.8168.81750000109.3R336V304-R336 HydrophobicContact CG2-CB 4.46Å; V304-R336 HydrophobicContact CG2-CG 3.66Å
305G82.6Confident94.3Very high21 Ų2123.6 Ų23.622%0.21613%0.133CC..SBendtrans75.5-167.4172.700000113.4R337G305-R337 VanDerWaalsContact O-CD 3.27Å; G305-R337 WeakPolarHBondContact O-CD 3.26Å; G305-R337 PolarHBondContact O-NH1 2.89Å
306I83.1Confident94.2Very high65 Ų6531.4 Ų31.433%0.33317%0.169SC..SBendtrans-79.3168.9-176.660.6176.8000111.5N158 F268 R303N158-I306 WeakPolarHBondContact O-CD1 3.43Å; F268-I306 HydrophobicContact CD1-CD1 3.71Å; F268-I306 HydrophobicContact CD1-CG1 3.61Å; F268-I306 HydrophobicContact CE1-CD1 3.15Å; F268-I306 HydrophobicContact CE1-CG1 3.58Å; F268-I306 HydrophobicContact CG-CG1 4.29Å; F268-I306 HydrophobicContact CZ-CD1 3.73Å; F268-I306 HydrophobicContact CZ-CG1 4.18Å; R303-I306 PolarHBondContact NE-O 3.01Å; R303-I306 PolarHBondContact NH2-O 3.26Å; R303-I306 VanDerWaalsContact NH2-O 3.08Å
307G86.5Confident94.2Very high12 Ų1234 Ų3412%0.12418%0.183CC..SBendtrans121.8172.6171.900000112.7F309 R337G307-F309 PolarHBondContact O-N 2.86Å; G307-R337 PolarHBondContact O-NH1 2.86Å; G307-R337 PolarHBondContact O-NH2 3.11Å
308A90.8Very high94.2Very high0 Ų034.3 Ų34.30%019%0.185CC..  trans-65133.6-172.300000111.5R303 Q392 L395 N396R303-A308 PolarHBondContact NH1-O 2.97Å; A308-Q392 HydrophobicContact CB-CG 3.71Å; A308-L395 HydrophobicContact CB-CB 4.15Å; A308-L395 HydrophobicContact CB-CD2 3.66Å; A308-L395 HydrophobicContact CB-CG 3.76Å; A308-N396 WeakPolarHBondContact CA-OD1 3.22Å; A308-N396 WeakPolarHBondContact CB-OD1 3.27Å
309F95Very high94.2Very high9 Ų939.7 Ų39.74%0.03921%0.211CC..  trans-144.282.4178.5-170.2180000108.6W38 T301 R303 G307 T311 E312 R337W38-F309 HydrophobicContact CH2-CD2 4.17Å; W38-F309 AromaticContact CZ3-CD2 3.98Å; W38-F309 HydrophobicContact CZ3-CD2 3.98Å; W38-F309 HydrophobicContact CZ3-CE2 4.14Å; W38-F309 HydrophobicContact CZ3-CG 4.49Å; T301-F309 HydrophobicContact CG2-CD2 4.31Å; T301-F309 HydrophobicContact CG2-CE2 3.34Å; T301-F309 HydrophobicContact CG2-CZ 3.65Å; T301-F309 WeakPolarHBondContact O-CZ 3.49Å; R303-F309 HydrophobicContact CB-CD1 3.86Å; R303-F309 HydrophobicContact CB-CE1 4.04Å; R303-F309 HydrophobicContact CB-CG 4.49Å; G307-F309 PolarHBondContact O-N 2.86Å; F309-T311 VanDerWaalsContact C-N 3.27Å; F309-T311 WeakPolarHBondContact CE2-OG1 3.47Å; F309-T311 PolarHBondContact O-N 2.89Å; F309-E312 HydrophobicContact CB-CB 3.94Å; F309-E312 HydrophobicContact CD1-CB 3.7Å; F309-E312 HydrophobicContact CD1-CG 4.01Å; F309-E312 HydrophobicContact CD2-CB 4.18Å; F309-E312 HydrophobicContact CE1-CB 4.2Å; F309-E312 HydrophobicContact CE1-CG 4.39Å; F309-E312 HydrophobicContact CG-CB 3.68Å; F309-E312 HydrophobicContact CG-CG 4.47Å; F309-E312 WeakPolarHBondContact O-CB 3.32Å; F309-E312 PolarHBondContact O-N 2.78Å; F309-R337 HydrophobicContact CD1-CB 3.93Å; F309-R337 HydrophobicContact CE1-CB 3.98Å
310P96.5Very high94.1Very high25 Ų2543.1 Ų43.116%0.16223%0.228CC..THydrogen-bonded Turntrans-58-35.7-169.2-29.538.2000114.5Y378 L395 V398 V400P310-Y378 HydrophobicContact CB-CE1 3.86Å; P310-Y378 HydrophobicContact CG-CE1 4.33Å; P310-Y378 HydrophobicContact CG-CE2 4.41Å; P310-L395 HydrophobicContact CG-CD1 3.72Å; P310-L395 HydrophobicContact CG-CG 4.05Å; P310-V398 HydrophobicContact CB-CG2 3.91Å; P310-V398 HydrophobicContact CG-CG2 4.09Å; P310-V400 HydrophobicContact CB-CG2 3.58Å; P310-V400 VanDerWaalsContact O-CG2 3.31Å; P310-V400 WeakPolarHBondContact O-CG2 3.37Å
311T97.9Very high94.1Very high0 Ų043.1 Ų43.10%023%0.228CC..THydrogen-bonded Turntrans-92.79.4178.655.90000114.8F309 Q313 G339 W340 D342 V400 Y402F309-T311 VanDerWaalsContact C-N 3.27Å; F309-T311 WeakPolarHBondContact CE2-OG1 3.47Å; F309-T311 PolarHBondContact O-N 2.89Å; T311-Q313 PolarHBondContact O-N 3.36Å; T311-Q313 PolarHBondContact O-NE2 3.2Å; T311-G339 CarbonylContact O-C 3.56Å; T311-G339 WeakPolarHBondContact O-CA 3.31Å; T311-W340 WeakPolarHBondContact CB-O 3.35Å; T311-W340 PolarHBondContact O-N 3.45Å; T311-W340 PolarHBondContact OG1-O 3.07Å; T311-D342 HydrophobicContact CG2-CB 3.75Å; T311-D342 VanDerWaalsContact CG2-OD2 3.29Å; T311-D342 WeakPolarHBondContact CG2-OD2 3.44Å; T311-V400 HydrophobicContact CG2-CG1 3.93Å; T311-V400 HydrophobicContact CG2-CG2 4.31Å; T311-Y402 WeakPolarHBondContact CA-OH 3.41Å; T311-Y402 HydrophobicContact CG2-CE1 3.98Å
312E97.8Very high94Very high56 Ų5643.7 Ų43.726%0.26223%0.231SC..BIsolated β-bridgetrans-53.9137.1177.5-176.6168.6-148.400111.5F309 R337F309-E312 HydrophobicContact CB-CB 3.94Å; F309-E312 HydrophobicContact CD1-CB 3.7Å; F309-E312 HydrophobicContact CD1-CG 4.01Å; F309-E312 HydrophobicContact CD2-CB 4.18Å; F309-E312 HydrophobicContact CE1-CB 4.2Å; F309-E312 HydrophobicContact CE1-CG 4.39Å; F309-E312 HydrophobicContact CG-CB 3.68Å; F309-E312 HydrophobicContact CG-CG 4.47Å; F309-E312 WeakPolarHBondContact O-CB 3.32Å; F309-E312 PolarHBondContact O-N 2.78Å; E312-R337 VanDerWaalsContact CD-NE 3.3Å; E312-R337 VanDerWaalsContact OE1-CB 3.26Å; E312-R337 WeakPolarHBondContact OE1-CB 3.13Å; E312-R337 WeakPolarHBondContact OE1-CD 2.85Å; E312-R337 WeakPolarHBondContact OE1-CG 3.2Å; E312-R337 IonicContact OE1-CZ 3.74Å; E312-R337 IonicContact OE1-NE 3.5Å; E312-R337 PolarHBondContact OE1-NE 3Å; E312-R337 IonicContact OE1-NH2 2.75Å; E312-R337 IonicContact OE2-CZ 3.85Å; E312-R337 IonicContact OE2-NE 2.65Å; E312-R337 PolarHBondContact OE2-NE 2.96Å; E312-R337 IonicContact OE2-NH2 3.68Å; E312-R337 PolarHBondContact OE2-NH2 3Å
313Q97.6Very high94Very high29 Ų2948.2 Ų48.214%0.13626%0.259CS..  trans-11085.5174.2-61.8-52-68.400108.5T311 N315 I317 G318 C338 W340T311-Q313 PolarHBondContact O-N 3.36Å; T311-Q313 PolarHBondContact O-NE2 3.2Å; Q313-N315 PolarHBondContact O-N 3.45Å; Q313-N315 PolarHBondContact OE1-ND2 3.4Å; Q313-I317 HydrophobicContact CB-CB 4.26Å; Q313-I317 HydrophobicContact CB-CG2 4.26Å; Q313-I317 HydrophobicContact CG-CB 4.45Å; Q313-I317 HydrophobicContact CG-CG2 4.05Å; Q313-G318 WeakPolarHBondContact O-CA 3.34Å; Q313-G318 PolarHBondContact O-N 2.52Å; Q313-C338 PolarHBondContact N-O 2.94Å; Q313-W340 HydrophobicContact CG-CG 4.2Å; Q313-W340 VanDerWaalsContact NE2-CD1 3.33Å
314D95.4Very high94.1Very high155 Ų15552.3 Ų52.383%0.82927%0.274SS*.  trans-78.959.1174.2-165.224.4000110.8
315N97.2Very high94.5Very high73 Ų7350.2 Ų50.239%0.3926%0.263SS..SBendtrans-158.7-174.5-17661.643.6000110.1Q313 I317 G318 E319Q313-N315 PolarHBondContact O-N 3.45Å; Q313-N315 PolarHBondContact OE1-ND2 3.4Å; N315-I317 PolarHBondContact O-N 3.15Å; N315-I317 VanDerWaalsContact O-N 3.09Å; N315-I317 VanDerWaalsContact OD1-CB 3.22Å; N315-I317 WeakPolarHBondContact OD1-CB 3.24Å; N315-I317 PolarHBondContact OD1-N 3.1Å; N315-G318 PolarHBondContact O-N 2.99Å; N315-E319 PolarHBondContact O-N 3.47Å; N315-E319 VanDerWaalsContact O-N 3.11Å
316E97.2Very high95Very high165 Ų16557.3 Ų57.377%0.77128%0.283SS*.Hα-helixtrans-54-30.9-178.3-62.2179.4-17500113.9E319 L320E316-E319 PolarHBondContact O-N 2.81Å; E316-L320 VanDerWaalsContact O-CB 3.29Å; E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 PolarHBondContact O-N 3.45Å
317I97.6Very high95.4Very high55 Ų5554.2 Ų54.228%0.28227%0.267SS..Hα-helixtrans-66.5-47.3177.3-64.7163000110.2Q313 N315 E319 L320 L321 W340 F369Q313-I317 HydrophobicContact CB-CB 4.26Å; Q313-I317 HydrophobicContact CB-CG2 4.26Å; Q313-I317 HydrophobicContact CG-CB 4.45Å; Q313-I317 HydrophobicContact CG-CG2 4.05Å; N315-I317 PolarHBondContact O-N 3.15Å; N315-I317 VanDerWaalsContact O-N 3.09Å; N315-I317 VanDerWaalsContact OD1-CB 3.22Å; N315-I317 WeakPolarHBondContact OD1-CB 3.24Å; N315-I317 PolarHBondContact OD1-N 3.1Å; I317-E319 VanDerWaalsContact C-N 3.33Å; I317-L320 PolarHBondContact O-N 3.4Å; I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 WeakPolarHBondContact O-CG 3.36Å; I317-L321 PolarHBondContact O-N 3.27Å; I317-W340 HydrophobicContact CB-CZ2 4.46Å; I317-W340 HydrophobicContact CD1-CZ2 4.02Å; I317-W340 HydrophobicContact CG1-CZ2 4.44Å; I317-W340 HydrophobicContact CG2-CH2 3.72Å; I317-W340 HydrophobicContact CG2-CZ2 3.31Å; I317-W340 HydrophobicContact CG2-CZ3 4.46Å; I317-F369 HydrophobicContact CG2-CE1 4.02Å; I317-F369 HydrophobicContact CG2-CZ 4.26Å
318G97.7Very high95.6Very high5 Ų558.8 Ų58.85%0.05228%0.283CS..Hα-helixtrans-66.4-36.9178.400000112.2Q313 N315 L321 Q322 C338Q313-G318 WeakPolarHBondContact O-CA 3.34Å; Q313-G318 PolarHBondContact O-N 2.52Å; N315-G318 PolarHBondContact O-N 2.99Å; G318-L321 PolarHBondContact O-N 3.47Å; G318-Q322 WeakPolarHBondContact O-CB 3.34Å; G318-Q322 PolarHBondContact O-N 3.48Å; G318-C338 WeakPolarHBondContact O-CB 3.22Å
319E97.3Very high95.3Very high113 Ų11359.1 Ų59.153%0.52829%0.287SS..Hα-helixtrans-63.4-40.8173-66.2-170.4154.800112.3N315 E316 I317 Q322 T323N315-E319 PolarHBondContact O-N 3.47Å; N315-E319 VanDerWaalsContact O-N 3.11Å; E316-E319 PolarHBondContact O-N 2.81Å; I317-E319 VanDerWaalsContact C-N 3.33Å; E319-Q322 PolarHBondContact O-N 2.89Å; E319-T323 VanDerWaalsContact O-CB 3.32Å; E319-T323 WeakPolarHBondContact O-CB 3.25Å; E319-T323 PolarHBondContact O-N 2.71Å; E319-T323 PolarHBondContact O-OG1 3.25Å
320L96.7Very high94.6Very high72 Ų7261.8 Ų61.838%0.37730%0.304SS..Hα-helixtrans-64.6-47.7176.3-177.461.1000111.5E316 I317 Q322 T323 R324 F369E316-L320 VanDerWaalsContact O-CB 3.29Å; E316-L320 WeakPolarHBondContact O-CB 3.49Å; E316-L320 PolarHBondContact O-N 3.45Å; I317-L320 PolarHBondContact O-N 3.4Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.1Å; L320-T323 PolarHBondContact O-N 2.89Å; L320-R324 HydrophobicContact CD1-CG 4.03Å; L320-R324 WeakPolarHBondContact O-CB 3.42Å; L320-R324 PolarHBondContact O-N 2.95Å; L320-F369 HydrophobicContact CD2-CE1 3.98Å; L320-F369 HydrophobicContact CD2-CE2 4.41Å; L320-F369 HydrophobicContact CD2-CZ 3.76Å; L320-F369 HydrophobicContact CG-CZ 4.27Å
321L97.5Very high93.9Very high0 Ų062.5 Ų62.50%031%0.308CS..Hα-helixtrans-57.3-46174.2-73.1172.6000111Y300 I317 G318 G325 C338 I365 L366 F369Y300-L321 HydrophobicContact CD1-CD2 4.28Å; Y300-L321 HydrophobicContact CD2-CB 4.31Å; Y300-L321 HydrophobicContact CD2-CD1 4.24Å; Y300-L321 HydrophobicContact CD2-CD2 4.06Å; Y300-L321 HydrophobicContact CD2-CG 4.45Å; Y300-L321 HydrophobicContact CE2-CB 4.25Å; Y300-L321 HydrophobicContact CE2-CD2 4.43Å; Y300-L321 HydrophobicContact CG-CD2 3.96Å; I317-L321 HydrophobicContact CG2-CD1 4.21Å; I317-L321 WeakPolarHBondContact O-CG 3.36Å; I317-L321 PolarHBondContact O-N 3.27Å; G318-L321 PolarHBondContact O-N 3.47Å; L321-G325 WeakPolarHBondContact O-CA 3.4Å; L321-G325 PolarHBondContact O-N 3.12Å; L321-C338 HydrophobicContact CB-CB 3.8Å; L321-C338 HydrophobicContact CD1-CB 4.35Å; L321-I365 HydrophobicContact CD2-CG2 4.21Å; L321-L366 HydrophobicContact CD2-CD2 3.73Å; L321-F369 HydrophobicContact CD2-CE2 3.83Å; L321-F369 HydrophobicContact CD2-CZ 4.01Å; L321-F369 HydrophobicContact CG-CE2 4.47Å; L321-F369 HydrophobicContact CG-CZ 4.16Å
322Q96.1Very high93.1Very high13 Ų1365 Ų656%0.06132%0.323CS..Hα-helixtrans-62.3-46.7179.5-169.6-76.2-39.700111.8G318 E319 L320 R326 E327 K335 C338G318-Q322 WeakPolarHBondContact O-CB 3.34Å; G318-Q322 PolarHBondContact O-N 3.48Å; E319-Q322 PolarHBondContact O-N 2.89Å; L320-Q322 VanDerWaalsContact C-N 3.32Å; L320-Q322 PolarHBondContact O-N 3.1Å; Q322-R326 WeakPolarHBondContact O-CA 3.28Å; Q322-R326 PolarHBondContact O-N 2.85Å; Q322-E327 HydrophobicContact CG-CB 4.08Å; Q322-E327 PolarHBondContact NE2-O 3.37Å; Q322-E327 VanDerWaalsContact NE2-O 3.11Å; Q322-E327 PolarHBondContact O-N 2.81Å; Q322-K335 HydrophobicContact CG-CD 4.12Å; Q322-K335 HydrophobicContact CG-CG 3.67Å; Q322-K335 VanDerWaalsContact OE1-CE 3.24Å; Q322-C338 VanDerWaalsContact CA-SG 3.5Å; Q322-C338 HydrophobicContact CB-CB 4.46Å; Q322-C338 VanDerWaalsContact CB-SG 3.57Å
323T95.7Very high92.5Very high94 Ų9464.9 Ų64.958%0.57734%0.337SS*.Hα-helixtrans-68.7-51-176.3-56.90000111.1E319 L320 R326E319-T323 VanDerWaalsContact O-CB 3.32Å; E319-T323 WeakPolarHBondContact O-CB 3.25Å; E319-T323 PolarHBondContact O-N 2.71Å; E319-T323 PolarHBondContact O-OG1 3.25Å; L320-T323 PolarHBondContact O-N 2.89Å; T323-R326 PolarHBondContact O-N 2.94Å
324R94.1Very high92Very high89 Ų8967.6 Ų67.634%0.33635%0.346SS..Hα-helixtrans-63.3-44.3177.8-73.7-175.960.777.11.9111.6L320 R326 D364 I365 M368L320-R324 HydrophobicContact CD1-CG 4.03Å; L320-R324 WeakPolarHBondContact O-CB 3.42Å; L320-R324 PolarHBondContact O-N 2.95Å; R324-R326 PolarHBondContact O-N 2.83Å; R324-D364 PolarHBondContact NH2-O 2.89Å; R324-D364 VanDerWaalsContact NH2-O 3.09Å; R324-I365 HydrophobicContact CB-CD1 4.44Å; R324-I365 HydrophobicContact CB-CG2 3.89Å; R324-I365 PolarHBondContact NE-O 2.81Å; R324-I365 VanDerWaalsContact NE-O 3.09Å; R324-I365 WeakPolarHBondContact O-CD1 3.38Å; R324-M368 VanDerWaalsContact CZ-CG 3.43Å; R324-M368 VanDerWaalsContact NH1-CG 3.33Å
325G93.8Very high91.9Very high4 Ų465.6 Ų65.64%0.04133%0.33CS..Hα-helixtrans-70.2-11.5179.600000114.7Y300 L321 E327 K362Y300-G325 WeakPolarHBondContact OH-CA 3.46Å; L321-G325 WeakPolarHBondContact O-CA 3.4Å; L321-G325 PolarHBondContact O-N 3.12Å; G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.36Å; G325-K362 PolarHBondContact O-NZ 3.17Å
326R93Very high91.7Very high170 Ų17063.4 Ų63.464%0.64232%0.316SS*.THydrogen-bonded Turntrans47.352.2-168.7-56.2-166.6-168.4174.4-3.8111.2Q322 T323 R324 F328Q322-R326 WeakPolarHBondContact O-CA 3.28Å; Q322-R326 PolarHBondContact O-N 2.85Å; T323-R326 PolarHBondContact O-N 2.94Å; R324-R326 PolarHBondContact O-N 2.83Å; R326-F328 PolarHBondContact O-N 3.11Å
327E93.2Very high91.6Very high0 Ų058.4 Ų58.40%029%0.29CS..  trans-81.987.5-167.5-66.8-64.6169.800111.5K298 Y300 T302 Q322 G325 R336 K362K298-E327 IonicContact NZ-OE1 2.86Å; K298-E327 PolarHBondContact NZ-OE1 3.04Å; K298-E327 IonicContact NZ-OE2 2.89Å; K298-E327 PolarHBondContact NZ-OE2 2.97Å; Y300-E327 HydrophobicContact CE2-CG 4.3Å; Y300-E327 PolarHBondContact OH-OE1 2.86Å; T302-E327 HydrophobicContact CG2-CG 4.02Å; Q322-E327 HydrophobicContact CG-CB 4.08Å; Q322-E327 PolarHBondContact NE2-O 3.37Å; Q322-E327 VanDerWaalsContact NE2-O 3.11Å; Q322-E327 PolarHBondContact O-N 2.81Å; G325-E327 VanDerWaalsContact C-N 3.27Å; G325-E327 PolarHBondContact O-N 3.36Å; E327-R336 HydrophobicContact CB-CB 3.98Å; E327-R336 HydrophobicContact CB-CG 4.15Å; E327-R336 PolarHBondContact O-N 2.66Å; E327-R336 WeakPolarHBondContact OE2-CD 3.18Å; E327-R336 IonicContact OE2-CZ 3.69Å; E327-R336 IonicContact OE2-NE 3.68Å; E327-R336 IonicContact OE2-NH1 3.26Å; E327-R336 PolarHBondContact OE2-NH1 3.47Å; E327-K362 WeakPolarHBondContact OE1-CD 3.36Å; E327-K362 IonicContact OE1-NZ 3.73Å; E327-K362 PolarHBondContact OE1-NZ 2.88Å; E327-K362 IonicContact OE2-NZ 2.92Å
328F90.1Very high91.7Very high107 Ų10756 Ų5647%0.46928%0.279SS..BIsolated β-bridgetrans-127.2139.2174.1-62.2-84.4000110.7R326 V330 R334 K335 R336R326-F328 PolarHBondContact O-N 3.11Å; F328-V330 PolarHBondContact O-N 2.84Å; F328-R334 WeakPolarHBondContact CA-O 3.17Å; F328-K335 HydrophobicContact CD1-CB 4.48Å; F328-K335 HydrophobicContact CE1-CB 4.31Å; F328-R336 PolarHBondContact O-NH1 2.81Å; F328-R336 PolarHBondContact O-NH2 2.82Å
329G84.6Confident91.7Very high8 Ų855.8 Ų55.88%0.08228%0.276CS..  trans-67.3126.9177.600000112.3T331 T332 G333 R334G329-T331 PolarHBondContact O-N 3.19Å; G329-T332 PolarHBondContact O-N 3.01Å; G329-G333 VanDerWaalsContact O-CA 3.28Å; G329-G333 WeakPolarHBondContact O-CA 3.37Å; G329-G333 PolarHBondContact O-N 3.37Å; G329-R334 PolarHBondContact N-O 2.75Å
330V80.6Confident91.8Very high64 Ų6450.7 Ų50.739%0.38825%0.252SS..THydrogen-bonded Turntrans-58.2-46.6-178.4179.40000111.9F328F328-V330 PolarHBondContact O-N 2.84Å
331T80.9Confident91.9Very high41 Ų4147.3 Ų47.325%0.25223%0.234SC..THydrogen-bonded Turntrans-81-28-176.1-48.40000114H80 G329H80-T331 PolarHBondContact NE2-OG1 2.8Å; G329-T331 PolarHBondContact O-N 3.19Å
332T81.3Confident91.9Very high52 Ų5247.3 Ų47.332%0.31924%0.235SC..THydrogen-bonded Turntrans-115.2-13.3-171.664.50000114.8T162 G329 R334T162-T332 HydrophobicContact CG2-CG2 4.07Å; G329-T332 PolarHBondContact O-N 3.01Å; T332-R334 PolarHBondContact O-N 3.36Å; T332-R334 PolarHBondContact OG1-NE 3.43Å
333G84.9Confident92Very high53 Ų5346.7 Ų46.755%0.54623%0.232SC..  trans68.2-4.6-173.800000115.4G329G329-G333 VanDerWaalsContact O-CA 3.28Å; G329-G333 WeakPolarHBondContact O-CA 3.37Å; G329-G333 PolarHBondContact O-N 3.37Å
334R88.1Confident92.1Very high87 Ų8742.9 Ų42.933%0.32821%0.208SC..PPolyproline II helixtrans-65.8141-177-65.5-176.6-69.6178.4-5.5111.9G160 F328 G329 T332 R336G160-R334 PolarHBondContact O-NH2 2.96Å; F328-R334 WeakPolarHBondContact CA-O 3.17Å; G329-R334 PolarHBondContact N-O 2.75Å; T332-R334 PolarHBondContact O-N 3.36Å; T332-R334 PolarHBondContact OG1-NE 3.43Å; R334-R336 PolarHBondContact O-N 3.27Å
335K91.6Very high92.2Very high113 Ų11338.8 Ų38.849%0.49119%0.193SC..BIsolated β-bridgetrans-57.1130.4169.1-171.6177.9-178.5-176.90109Q322 F328Q322-K335 HydrophobicContact CG-CD 4.12Å; Q322-K335 HydrophobicContact CG-CG 3.67Å; Q322-K335 VanDerWaalsContact OE1-CE 3.24Å; F328-K335 HydrophobicContact CD1-CB 4.48Å; F328-K335 HydrophobicContact CE1-CB 4.31Å
336R94.3Very high92.4Very high26 Ų2638.8 Ų38.810%0.09819%0.192CC..PPolyproline II helixtrans-82.1143.8171.4-46.8-165.3171.298-0.7109.5D40 V304 E327 F328 R334D40-R336 WeakPolarHBondContact OD2-CD 2.84Å; D40-R336 IonicContact OD2-CZ 2.64Å; D40-R336 IonicContact OD2-NE 3.59Å; D40-R336 PolarHBondContact OD2-NE 3.11Å; D40-R336 VanDerWaalsContact OD2-NE 3.15Å; V304-R336 HydrophobicContact CG2-CB 4.46Å; V304-R336 HydrophobicContact CG2-CG 3.66Å; E327-R336 HydrophobicContact CB-CB 3.98Å; E327-R336 HydrophobicContact CB-CG 4.15Å; E327-R336 PolarHBondContact O-N 2.66Å; E327-R336 WeakPolarHBondContact OE2-CD 3.18Å; E327-R336 IonicContact OE2-CZ 3.69Å; E327-R336 IonicContact OE2-NE 3.68Å; E327-R336 IonicContact OE2-NH1 3.26Å; E327-R336 PolarHBondContact OE2-NH1 3.47Å; F328-R336 PolarHBondContact O-NH1 2.81Å; F328-R336 PolarHBondContact O-NH2 2.82Å; R334-R336 PolarHBondContact O-N 3.27Å
337R95.6Very high92.6Very high60 Ų6033.7 Ų33.723%0.22617%0.174CC..EExtended strand (participates in β ladder)trans-70.3144.7165.2-66.6157.665.9-159.61.7108T302 R303 G305 G307 F309 E312T302-R337 CarbonylContact C-O 3.39Å; T302-R337 WeakPolarHBondContact CA-O 3.39Å; R303-R337 PolarHBondContact N-O 3.19Å; R303-R337 PolarHBondContact O-N 3.44Å; G305-R337 VanDerWaalsContact O-CD 3.27Å; G305-R337 WeakPolarHBondContact O-CD 3.26Å; G305-R337 PolarHBondContact O-NH1 2.89Å; G307-R337 PolarHBondContact O-NH1 2.86Å; G307-R337 PolarHBondContact O-NH2 3.11Å; F309-R337 HydrophobicContact CD1-CB 3.93Å; F309-R337 HydrophobicContact CE1-CB 3.98Å; E312-R337 VanDerWaalsContact CD-NE 3.3Å; E312-R337 VanDerWaalsContact OE1-CB 3.26Å; E312-R337 WeakPolarHBondContact OE1-CB 3.13Å; E312-R337 WeakPolarHBondContact OE1-CD 2.85Å; E312-R337 WeakPolarHBondContact OE1-CG 3.2Å; E312-R337 IonicContact OE1-CZ 3.74Å; E312-R337 IonicContact OE1-NE 3.5Å; E312-R337 PolarHBondContact OE1-NE 3Å; E312-R337 IonicContact OE1-NH2 2.75Å; E312-R337 IonicContact OE2-CZ 3.85Å; E312-R337 IonicContact OE2-NE 2.65Å; E312-R337 PolarHBondContact OE2-NE 2.96Å; E312-R337 IonicContact OE2-NH2 3.68Å; E312-R337 PolarHBondContact OE2-NH2 3Å
338C98.1Very high92.8Very high6 Ų636.5 Ų36.54%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-127.3146.3-176.4-68.40000110.6Q313 G318 L321 Q322Q313-C338 PolarHBondContact N-O 2.94Å; G318-C338 WeakPolarHBondContact O-CB 3.22Å; L321-C338 HydrophobicContact CB-CB 3.8Å; L321-C338 HydrophobicContact CD1-CB 4.35Å; Q322-C338 VanDerWaalsContact CA-SG 3.5Å; Q322-C338 HydrophobicContact CB-CB 4.46Å; Q322-C338 VanDerWaalsContact CB-SG 3.57Å
339G98.3Very high93.2Very high0 Ų031.4 Ų31.40%016%0.163CC..EExtended strand (participates in β ladder)trans-155.2171-176.800000111.6T301 T311T301-G339 PolarHBondContact N-O 3.48Å; T301-G339 PolarHBondContact O-N 3.08Å; T311-G339 CarbonylContact O-C 3.56Å; T311-G339 WeakPolarHBondContact O-CA 3.31Å
340W98.6Very high93.8Very high6 Ų633.8 Ų33.82%0.02317%0.172CC..  trans-66.4159.5174.4-70.3123.9000111.9T301 T311 Q313 I317 D342 F369 I372 K373 Y402T301-W340 VanDerWaalsContact CB-O 3.25Å; T301-W340 WeakPolarHBondContact CB-O 3.14Å; T301-W340 PolarHBondContact OG1-O 3.34Å; T311-W340 WeakPolarHBondContact CB-O 3.35Å; T311-W340 PolarHBondContact O-N 3.45Å; T311-W340 PolarHBondContact OG1-O 3.07Å; Q313-W340 HydrophobicContact CG-CG 4.2Å; Q313-W340 VanDerWaalsContact NE2-CD1 3.33Å; I317-W340 HydrophobicContact CB-CZ2 4.46Å; I317-W340 HydrophobicContact CD1-CZ2 4.02Å; I317-W340 HydrophobicContact CG1-CZ2 4.44Å; I317-W340 HydrophobicContact CG2-CH2 3.72Å; I317-W340 HydrophobicContact CG2-CZ2 3.31Å; I317-W340 HydrophobicContact CG2-CZ3 4.46Å; W340-D342 PolarHBondContact O-N 2.84Å; W340-F369 AromaticContact CH2-CD1 3.74Å; W340-F369 HydrophobicContact CH2-CD1 3.74Å; W340-F369 AromaticContact CH2-CE1 3.66Å; W340-F369 HydrophobicContact CH2-CE1 3.66Å; W340-F369 HydrophobicContact CH2-CG 4.24Å; W340-F369 HydrophobicContact CH2-CZ 4.09Å; W340-F369 HydrophobicContact CZ2-CE1 4.42Å; W340-F369 HydrophobicContact CZ3-CE1 4.46Å; W340-F369 HydrophobicContact CZ3-CZ 4.5Å; W340-I372 HydrophobicContact CE3-CG2 4.14Å; W340-I372 HydrophobicContact CZ3-CB 4.48Å; W340-I372 HydrophobicContact CZ3-CG2 3.88Å; W340-K373 VanDerWaalsContact CB-O 3.3Å; W340-K373 WeakPolarHBondContact CB-O 3.46Å; W340-K373 HydrophobicContact CD2-CB 4.1Å; W340-K373 HydrophobicContact CG-CB 3.99Å; W340-Y402 HydrophobicContact CB-CE1 4Å; W340-Y402 AromaticContact CD1-CE1 3.93Å; W340-Y402 HydrophobicContact CG-CE1 4.31Å
341L98.7Very high94.6Very high0 Ų037.2 Ų37.20%019%0.185CC..EExtended strand (participates in β ladder)trans-58.4135.5173.8-173.865.3000109.8V297 K298 T301 L343 L346 V374 G375 Y428 I432V297-L341 HydrophobicContact CG1-CD1 4.1Å; K298-L341 WeakPolarHBondContact O-CD1 3.4Å; T301-L341 WeakPolarHBondContact OG1-CA 3.34Å; L341-L343 HydrophobicContact CD2-CD2 3.76Å; L341-L343 HydrophobicContact CG-CD2 4.05Å; L341-L346 HydrophobicContact CD1-CD1 3.93Å; L341-L346 HydrophobicContact CG-CD1 4.43Å; L341-V374 HydrophobicContact CB-CG1 4.23Å; L341-V374 HydrophobicContact CD2-CG1 4.36Å; L341-V374 HydrophobicContact CG-CG1 4.43Å; L341-G375 PolarHBondContact O-N 3.39Å; L341-Y428 WeakPolarHBondContact CB-OH 3.31Å; L341-Y428 HydrophobicContact CD2-CE1 4.45Å; L341-Y428 WeakPolarHBondContact CD2-OH 3.29Å; L341-I432 HydrophobicContact CD2-CD1 3.45Å; L341-I432 VanDerWaalsContact CD2-CD1 3.45Å; L341-I432 HydrophobicContact CD2-CG1 3.69Å
342D98.1Very high95.4Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-117.6101.9-177.9-166.8-39.9000110.6T301 T311 W340 V344 L345 L346 Y378T301-D342 PolarHBondContact OG1-N 3.25Å; T311-D342 HydrophobicContact CG2-CB 3.75Å; T311-D342 VanDerWaalsContact CG2-OD2 3.29Å; T311-D342 WeakPolarHBondContact CG2-OD2 3.44Å; W340-D342 PolarHBondContact O-N 2.84Å; D342-V344 VanDerWaalsContact C-N 3.3Å; D342-V344 PolarHBondContact O-N 2.92Å; D342-V344 WeakPolarHBondContact OD1-CB 3.41Å; D342-V344 PolarHBondContact OD1-N 2.74Å; D342-L345 HydrophobicContact CB-CB 4.16Å; D342-L345 HydrophobicContact CB-CD1 3.8Å; D342-L345 HydrophobicContact CB-CG 3.93Å; D342-L345 VanDerWaalsContact CG-CG 3.49Å; D342-L345 PolarHBondContact O-N 2.51Å; D342-L345 PolarHBondContact OD1-N 3.34Å; D342-L345 VanDerWaalsContact OD1-N 3.08Å; D342-L346 WeakPolarHBondContact O-CG 3.18Å; D342-L346 PolarHBondContact O-N 2.73Å; D342-Y378 PolarHBondContact OD1-OH 3.38Å; D342-Y378 WeakPolarHBondContact OD2-CE1 3.42Å; D342-Y378 PolarHBondContact OD2-OH 2.82Å
343L98.2Very high96.2Very high0 Ų035.2 Ų35.20%017%0.171CC..Hα-helixtrans-75.1-20.5-178.5-57.6-174.7000112.6L341 L346 K347 V374 G375 V376 F431 I432 E435 L436L341-L343 HydrophobicContact CD2-CD2 3.76Å; L341-L343 HydrophobicContact CG-CD2 4.05Å; L343-L346 HydrophobicContact CD2-CD1 4Å; L343-L346 PolarHBondContact O-N 2.98Å; L343-K347 WeakPolarHBondContact O-CB 3.21Å; L343-K347 WeakPolarHBondContact O-CG 3.4Å; L343-K347 PolarHBondContact O-N 3.34Å; L343-V374 HydrophobicContact CD1-CG1 3.67Å; L343-V374 HydrophobicContact CD2-CG1 4.1Å; L343-V374 HydrophobicContact CG-CG1 3.51Å; L343-G375 WeakPolarHBondContact CB-O 3.34Å; L343-G375 PolarHBondContact N-O 3.45Å; L343-V376 HydrophobicContact CD1-CG1 4.2Å; L343-F431 HydrophobicContact CD1-CD1 4.48Å; L343-F431 HydrophobicContact CD1-CE1 3.84Å; L343-F431 HydrophobicContact CD1-CZ 4.46Å; L343-I432 HydrophobicContact CD2-CG1 4.42Å; L343-I432 HydrophobicContact CD2-CG2 4.49Å; L343-E435 HydrophobicContact CD1-CB 3.47Å; L343-E435 VanDerWaalsContact CD1-CB 3.47Å; L343-E435 HydrophobicContact CD1-CG 3.63Å; L343-L436 HydrophobicContact CB-CD2 4.32Å; L343-L436 HydrophobicContact CD2-CD1 4.49Å; L343-L436 HydrophobicContact CD2-CD2 4.35Å; L343-L436 HydrophobicContact CD2-CG 4.44Å
344V97.6Very high96.8Very high14 Ų1434.9 Ų34.99%0.08517%0.168CC..Hα-helixtrans-67.7-43.2175.1-172.30000109.3D342 K347 Y348 Y378 I388D342-V344 VanDerWaalsContact C-N 3.3Å; D342-V344 PolarHBondContact O-N 2.92Å; D342-V344 WeakPolarHBondContact OD1-CB 3.41Å; D342-V344 PolarHBondContact OD1-N 2.74Å; V344-K347 PolarHBondContact O-N 2.78Å; V344-Y348 PolarHBondContact O-N 2.75Å; V344-Y348 VanDerWaalsContact O-N 3.1Å; V344-Y378 HydrophobicContact CB-CD1 4.28Å; V344-Y378 HydrophobicContact CB-CD2 4.2Å; V344-Y378 HydrophobicContact CB-CE1 3.97Å; V344-Y378 HydrophobicContact CB-CE2 3.9Å; V344-Y378 HydrophobicContact CB-CG 4.39Å; V344-Y378 HydrophobicContact CG1-CD2 3.67Å; V344-Y378 HydrophobicContact CG1-CE1 4.49Å; V344-Y378 HydrophobicContact CG1-CE2 3.63Å; V344-Y378 HydrophobicContact CG1-CG 4.14Å; V344-Y378 HydrophobicContact CG2-CD1 3.92Å; V344-Y378 HydrophobicContact CG2-CD2 4.49Å; V344-Y378 HydrophobicContact CG2-CE1 3.95Å; V344-Y378 HydrophobicContact CG2-CG 4.19Å; V344-I388 HydrophobicContact CG1-CG1 4.13Å
345L96.1Very high97.3Very high2 Ų231.2 Ų31.21%0.0115%0.154CC..Hα-helixtrans-60.5-43.8172.9-64.6-178.2000112.5W38 L258 D342 Y348 A349 Y378 I388W38-L345 HydrophobicContact CH2-CD1 3.36Å; W38-L345 HydrophobicContact CZ2-CD1 4.19Å; W38-L345 HydrophobicContact CZ3-CD1 3.74Å; L258-L345 HydrophobicContact CD1-CB 4.06Å; L258-L345 HydrophobicContact CD1-CD1 3.82Å; L258-L345 HydrophobicContact CD1-CD2 4.13Å; L258-L345 HydrophobicContact CD1-CG 4.21Å; L258-L345 HydrophobicContact CD2-CD2 4.42Å; D342-L345 HydrophobicContact CB-CB 4.16Å; D342-L345 HydrophobicContact CB-CD1 3.8Å; D342-L345 HydrophobicContact CB-CG 3.93Å; D342-L345 VanDerWaalsContact CG-CG 3.49Å; D342-L345 PolarHBondContact O-N 2.51Å; D342-L345 PolarHBondContact OD1-N 3.34Å; D342-L345 VanDerWaalsContact OD1-N 3.08Å; L345-Y348 PolarHBondContact O-N 2.65Å; L345-A349 PolarHBondContact O-N 2.92Å; L345-Y378 WeakPolarHBondContact CD2-OH 3.27Å; L345-Y378 WeakPolarHBondContact CG-OH 3.42Å; L345-I388 HydrophobicContact CD2-CD1 3.46Å; L345-I388 VanDerWaalsContact CD2-CD1 3.46Å; L345-I388 HydrophobicContact CD2-CG1 4.24Å
346L98Very high97.7Very high4 Ų428.6 Ų28.62%0.02115%0.148CC..Hα-helixtrans-69.5-39.7-179.7-62.6-177.8000112.7A36 Q37 V297 L341 D342 L343 Y348 A349 H350 L436A36-L346 HydrophobicContact CB-CD2 3.69Å; Q37-L346 HydrophobicContact CG-CD2 3.8Å; V297-L346 HydrophobicContact CG1-CD1 3.56Å; V297-L346 HydrophobicContact CG1-CD2 3.85Å; V297-L346 HydrophobicContact CG1-CG 4.37Å; V297-L346 HydrophobicContact CG2-CD1 4.49Å; V297-L346 HydrophobicContact CG2-CD2 4.19Å; L341-L346 HydrophobicContact CD1-CD1 3.93Å; L341-L346 HydrophobicContact CG-CD1 4.43Å; D342-L346 WeakPolarHBondContact O-CG 3.18Å; D342-L346 PolarHBondContact O-N 2.73Å; L343-L346 HydrophobicContact CD2-CD1 4Å; L343-L346 PolarHBondContact O-N 2.98Å; L346-Y348 VanDerWaalsContact C-N 3.31Å; L346-Y348 PolarHBondContact O-N 2.81Å; L346-A349 PolarHBondContact O-N 2.96Å; L346-H350 WeakPolarHBondContact O-CB 3.41Å; L346-H350 PolarHBondContact O-N 3.49Å; L346-L436 HydrophobicContact CB-CD1 3.97Å; L346-L436 HydrophobicContact CB-CD2 3.89Å; L346-L436 HydrophobicContact CD1-CD1 3.93Å
347K97.7Very high97.9Very high63 Ų6327.4 Ų27.427%0.27414%0.143SC..Hα-helixtrans-57.1-46.7173-75.9171.3-175.8175.70110.2L343 V344 H350 M351 E435 L436L343-K347 WeakPolarHBondContact O-CB 3.21Å; L343-K347 WeakPolarHBondContact O-CG 3.4Å; L343-K347 PolarHBondContact O-N 3.34Å; V344-K347 PolarHBondContact O-N 2.78Å; K347-H350 WeakPolarHBondContact O-CB 3.29Å; K347-H350 PolarHBondContact O-N 2.87Å; K347-M351 VanDerWaalsContact O-CG 3.32Å; K347-M351 WeakPolarHBondContact O-CG 3.25Å; K347-M351 PolarHBondContact O-N 2.98Å; K347-E435 WeakPolarHBondContact CE-O 3.45Å; K347-E435 PolarHBondContact NZ-O 2.85Å; K347-E435 IonicContact NZ-OE2 3.69Å; K347-E435 PolarHBondContact NZ-OE2 2.98Å; K347-L436 HydrophobicContact CD-CD2 4.5Å; K347-L436 HydrophobicContact CG-CD2 3.56Å
348Y97.4Very high98Very high59 Ų5924.7 Ų24.723%0.23113%0.133CC..Hα-helixtrans-63.3-46176.3174.6-102.5000113.2L258 F263 V344 L345 L346 H350 M351 I352 I388L258-Y348 HydrophobicContact CD2-CD1 4.03Å; L258-Y348 HydrophobicContact CD2-CE1 4.25Å; F263-Y348 WeakPolarHBondContact O-CE1 3.41Å; F263-Y348 PolarHBondContact O-OH 3.29Å; V344-Y348 PolarHBondContact O-N 2.75Å; V344-Y348 VanDerWaalsContact O-N 3.1Å; L345-Y348 PolarHBondContact O-N 2.65Å; L346-Y348 VanDerWaalsContact C-N 3.31Å; L346-Y348 PolarHBondContact O-N 2.81Å; Y348-H350 PolarHBondContact O-N 3.4Å; Y348-M351 WeakPolarHBondContact O-CB 3.45Å; Y348-M351 PolarHBondContact O-N 3.28Å; Y348-M351 VanDerWaalsContact O-N 3.14Å; Y348-I352 HydrophobicContact CD1-CD1 4.01Å; Y348-I352 HydrophobicContact CD2-CD1 4.42Å; Y348-I352 HydrophobicContact CE1-CD1 3.53Å; Y348-I352 HydrophobicContact CE2-CD1 3.97Å; Y348-I352 HydrophobicContact CG-CD1 4.45Å; Y348-I352 PolarHBondContact O-N 3.48Å; Y348-I388 HydrophobicContact CD1-CD1 3.43Å; Y348-I388 VanDerWaalsContact CD1-CD1 3.43Å; Y348-I388 HydrophobicContact CD2-CD1 4.04Å; Y348-I388 HydrophobicContact CD2-CG1 4.45Å; Y348-I388 HydrophobicContact CE1-CD1 4.18Å; Y348-I388 HydrophobicContact CG-CD1 3.32Å; Y348-I388 HydrophobicContact CG-CG1 4.11Å
349A97.7Very high98.1Very high0 Ų024.4 Ų24.40%013%0.131CC..Hα-helixtrans-59.9-36.3176.300000111.6A36 A257 L345 L346 I352 N353 F355A36-A349 HydrophobicContact CB-CB 4.4Å; A36-A349 WeakPolarHBondContact O-CB 3.35Å; A257-A349 HydrophobicContact CB-CB 4Å; L345-A349 PolarHBondContact O-N 2.92Å; L346-A349 PolarHBondContact O-N 2.96Å; A349-I352 PolarHBondContact O-N 2.98Å; A349-N353 WeakPolarHBondContact O-CB 3.34Å; A349-N353 PolarHBondContact O-N 2.89Å; A349-N353 VanDerWaalsContact O-N 3.09Å; A349-N353 PolarHBondContact O-ND2 2.83Å; A349-F355 HydrophobicContact CB-CE2 4.05Å; A349-F355 HydrophobicContact CB-CZ 4.41Å
350H98.1Very high98.1Very high58 Ų5824.5 Ų24.527%0.26913%0.132SC..Hα-helixtrans-67.8-41.5174.4178.768.7000112.8L346 K347 Y348 I352 N353 G354 F355 I438L346-H350 WeakPolarHBondContact O-CB 3.41Å; L346-H350 PolarHBondContact O-N 3.49Å; K347-H350 WeakPolarHBondContact O-CB 3.29Å; K347-H350 PolarHBondContact O-N 2.87Å; Y348-H350 PolarHBondContact O-N 3.4Å; H350-I352 PolarHBondContact O-N 3.43Å; H350-I352 VanDerWaalsContact O-N 3.12Å; H350-N353 PolarHBondContact O-N 2.76Å; H350-G354 WeakPolarHBondContact O-CA 3.26Å; H350-G354 PolarHBondContact O-N 2.89Å; H350-F355 HydrophobicContact CB-CD2 3.91Å; H350-F355 HydrophobicContact CB-CE2 4.38Å; H350-F355 PolarHBondContact CE1-O 2.94Å; H350-F355 AromaticContact ND1-CD2 3.92Å; H350-F355 PolarHBondContact ND1-N 2.72Å; H350-F355 VanDerWaalsContact ND1-N 3.17Å; H350-I438 HydrophobicContact CB-CD1 3.69Å; H350-I438 WeakPolarHBondContact ND1-CD1 3.32Å
351M97.6Very high98Very high137 Ų13724.5 Ų24.568%0.67513%0.133SC*.Hα-helixtrans-53.8-34.7176.6-70168.6-170.700112.4K347 Y348K347-M351 VanDerWaalsContact O-CG 3.32Å; K347-M351 WeakPolarHBondContact O-CG 3.25Å; K347-M351 PolarHBondContact O-N 2.98Å; Y348-M351 WeakPolarHBondContact O-CB 3.45Å; Y348-M351 PolarHBondContact O-N 3.28Å; Y348-M351 VanDerWaalsContact O-N 3.14Å
352I97.6Very high97.8Very high44 Ų4427.2 Ų27.223%0.22614%0.144CC..Hα-helixtrans-86.6-39.6-178.3-60.8157000112.2F263 T275 Y348 A349 H350F263-I352 HydrophobicContact CB-CD1 3.69Å; F263-I352 HydrophobicContact CD1-CD1 4.3Å; F263-I352 HydrophobicContact CD2-CG2 4.14Å; F263-I352 HydrophobicContact CE2-CG2 4.36Å; F263-I352 HydrophobicContact CG-CD1 3.94Å; T275-I352 HydrophobicContact CG2-CG2 3.56Å; Y348-I352 HydrophobicContact CD1-CD1 4.01Å; Y348-I352 HydrophobicContact CD2-CD1 4.42Å; Y348-I352 HydrophobicContact CE1-CD1 3.53Å; Y348-I352 HydrophobicContact CE2-CD1 3.97Å; Y348-I352 HydrophobicContact CG-CD1 4.45Å; Y348-I352 PolarHBondContact O-N 3.48Å; A349-I352 PolarHBondContact O-N 2.98Å; H350-I352 PolarHBondContact O-N 3.43Å; H350-I352 VanDerWaalsContact O-N 3.12Å
353N98.3Very high97.8Very high6 Ų627.1 Ų27.13%0.03214%0.144CC..Hα-helixtrans-99.3-19.6-169.4-66.3-68.8000114.4L34 T275 V276 A349 H350 F355L34-N353 HydrophobicContact CD1-CB 4.41Å; L34-N353 VanDerWaalsContact CD1-OD1 3.25Å; L34-N353 WeakPolarHBondContact CD1-OD1 3.43Å; T275-N353 WeakPolarHBondContact CA-OD1 3.49Å; T275-N353 VanDerWaalsContact CB-OD1 3.26Å; T275-N353 WeakPolarHBondContact CB-OD1 3.43Å; V276-N353 PolarHBondContact N-OD1 3.41Å; A349-N353 WeakPolarHBondContact O-CB 3.34Å; A349-N353 PolarHBondContact O-N 2.89Å; A349-N353 VanDerWaalsContact O-N 3.09Å; A349-N353 PolarHBondContact O-ND2 2.83Å; H350-N353 PolarHBondContact O-N 2.76Å; N353-F355 HydrophobicContact CB-CD1 4.02Å; N353-F355 HydrophobicContact CB-CE1 3.59Å; N353-F355 HydrophobicContact CB-CE2 4.37Å; N353-F355 HydrophobicContact CB-CZ 3.78Å
354G97.9Very high97.7Very high47 Ų4728.4 Ų28.449%0.48515%0.151SC..  trans5850-178.200000112.8H350 T356H350-G354 WeakPolarHBondContact O-CA 3.26Å; H350-G354 PolarHBondContact O-N 2.89Å; G354-T356 PolarHBondContact O-N 2.59Å
355F98.7Very high97.7Very high9 Ų928.2 Ų28.24%0.03915%0.149CC..  trans-53.4126.6-178.2-60-54.5000112L34 A36 V293 A349 H350 N353 L358 I438L34-F355 HydrophobicContact CB-CE1 4.32Å; A36-F355 HydrophobicContact CB-CE2 3.89Å; A36-F355 HydrophobicContact CB-CZ 3.91Å; V293-F355 HydrophobicContact CG1-CD1 3.96Å; V293-F355 HydrophobicContact CG1-CE1 4.37Å; V293-F355 CarbonylContact O-C 3.47Å; V293-F355 WeakPolarHBondContact O-CA 3.48Å; A349-F355 HydrophobicContact CB-CE2 4.05Å; A349-F355 HydrophobicContact CB-CZ 4.41Å; H350-F355 HydrophobicContact CB-CD2 3.91Å; H350-F355 HydrophobicContact CB-CE2 4.38Å; H350-F355 PolarHBondContact CE1-O 2.94Å; H350-F355 AromaticContact ND1-CD2 3.92Å; H350-F355 PolarHBondContact ND1-N 2.72Å; H350-F355 VanDerWaalsContact ND1-N 3.17Å; N353-F355 HydrophobicContact CB-CD1 4.02Å; N353-F355 HydrophobicContact CB-CE1 3.59Å; N353-F355 HydrophobicContact CB-CE2 4.37Å; N353-F355 HydrophobicContact CB-CZ 3.78Å; F355-L358 HydrophobicContact CB-CD2 4.2Å; F355-L358 HydrophobicContact CD2-CD2 3.98Å; F355-L358 HydrophobicContact CG-CD2 4.18Å; F355-I438 HydrophobicContact CB-CD1 4.48Å; F355-I438 HydrophobicContact CB-CG2 4.3Å; F355-I438 HydrophobicContact CD2-CD1 4.43Å
356T98.7Very high97.8Very high59 Ų5928.1 Ų28.136%0.36215%0.149SC..SBendtrans-67.1-47.1168.9-48.90000110.3E292 V293 G354 P439E292-T356 WeakPolarHBondContact OE2-CB 2.89Å; E292-T356 WeakPolarHBondContact OE2-CG2 3.2Å; E292-T356 PolarHBondContact OE2-OG1 3.47Å; V293-T356 PolarHBondContact N-OG1 3.46Å; V293-T356 VanDerWaalsContact N-OG1 3.16Å; V293-T356 PolarHBondContact O-N 2.76Å; G354-T356 PolarHBondContact O-N 2.59Å; T356-P439 WeakPolarHBondContact O-CD 3.47Å; T356-P439 WeakPolarHBondContact O-CG 3.49Å
357A98.8Very high97.7Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-153.4162.1-178.300000111.2Y294 G295 P439 K441 F456Y294-A357 WeakPolarHBondContact CA-O 3.36Å; Y294-A357 HydrophobicContact CD1-CB 3.96Å; Y294-A357 HydrophobicContact CE1-CB 4.02Å; G295-A357 PolarHBondContact N-O 2.8Å; A357-P439 CarbonylContact C-O 3.54Å; A357-P439 WeakPolarHBondContact CA-O 3.36Å; A357-P439 HydrophobicContact CB-CG 4.15Å; A357-P439 WeakPolarHBondContact CB-O 3.41Å; A357-K441 HydrophobicContact CB-CB 3.81Å; A357-F456 HydrophobicContact CB-CZ 4.11Å
358L98.8Very high97.5Very high4 Ų430 Ų302%0.02116%0.16CC..EExtended strand (participates in β ladder)trans-104.7147179.2-55.9177.3000112G295 V297 F355 I432 L436 I438 P439 V440 K441 W442G295-L358 CarbonylContact O-C 3.57Å; G295-L358 VanDerWaalsContact O-CA 3.25Å; G295-L358 WeakPolarHBondContact O-CA 3.4Å; V297-L358 HydrophobicContact CG2-CB 4.29Å; V297-L358 HydrophobicContact CG2-CD1 4.21Å; V297-L358 HydrophobicContact CG2-CD2 3.88Å; V297-L358 HydrophobicContact CG2-CG 4.34Å; F355-L358 HydrophobicContact CB-CD2 4.2Å; F355-L358 HydrophobicContact CD2-CD2 3.98Å; F355-L358 HydrophobicContact CG-CD2 4.18Å; L358-I432 HydrophobicContact CD1-CG2 4.4Å; L358-L436 HydrophobicContact CD1-CD1 3.59Å; L358-I438 HydrophobicContact CD1-CB 4.25Å; L358-I438 HydrophobicContact CD1-CD1 4.42Å; L358-I438 HydrophobicContact CD1-CG2 4.33Å; L358-I438 HydrophobicContact CD2-CD1 4.33Å; L358-I438 HydrophobicContact CD2-CG2 4.14Å; L358-I438 HydrophobicContact CG-CB 4.22Å; L358-I438 HydrophobicContact CG-CG2 3.75Å; L358-P439 PolarHBondContact N-O 3.41Å; L358-V440 HydrophobicContact CB-CG2 4.21Å; L358-K441 PolarHBondContact O-N 2.84Å; L358-W442 PolarHBondContact O-N 2.8Å
359A98.4Very high97.5Very high0 Ų028.1 Ų28.10%015%0.153CC..EExtended strand (participates in β ladder)trans-107.6105162.300000108.2V46 G295 V296 V297 W442V46-A359 HydrophobicContact CG1-CB 4.39Å; V46-A359 HydrophobicContact CG2-CB 3.56Å; G295-A359 PolarHBondContact O-N 3.06Å; V296-A359 HydrophobicContact CG2-CB 4.44Å; V297-A359 PolarHBondContact N-O 3.34Å; A359-W442 CarbonylContact C-O 3.47Å; A359-W442 WeakPolarHBondContact CA-O 3.37Å; A359-W442 HydrophobicContact CB-CB 4.17Å; A359-W442 HydrophobicContact CB-CE3 4.03Å
360L98.5Very high97.4Very high1 Ų133.4 Ų33.41%0.00519%0.185CC..EExtended strand (participates in β ladder)trans-86.1109.1-179.8-171.769000109.9V297 A299 L363 V429 I432 V440 W442 I443 G444V297-L360 HydrophobicContact CB-CD1 4.24Å; V297-L360 HydrophobicContact CG1-CD1 4.12Å; V297-L360 CarbonylContact O-C 3.58Å; V297-L360 WeakPolarHBondContact O-CA 3.4Å; A299-L360 HydrophobicContact CB-CD1 4.2Å; A299-L360 HydrophobicContact CB-CG 4.29Å; L360-L363 HydrophobicContact CD2-CD1 4.22Å; L360-V429 HydrophobicContact CD2-CG2 3.93Å; L360-I432 HydrophobicContact CD1-CD1 4.05Å; L360-I432 HydrophobicContact CD2-CD1 3.97Å; L360-V440 HydrophobicContact CB-CG1 4.05Å; L360-W442 PolarHBondContact N-O 3.19Å; L360-I443 CarbonylContact O-C 3.53Å; L360-I443 VanDerWaalsContact O-CA 3.27Å; L360-I443 WeakPolarHBondContact O-CA 3.39Å; L360-G444 PolarHBondContact O-N 2.95Å
361T96.4Very high97.4Very high7 Ų736.3 Ų36.34%0.04320%0.199CC..EExtended strand (participates in β ladder)trans-102.9161.3-175.771.80000112.3E41 V296 V297 A299 L363E41-T361 WeakPolarHBondContact O-CB 3.21Å; E41-T361 VanDerWaalsContact O-CG2 3.29Å; E41-T361 WeakPolarHBondContact O-CG2 3.5Å; E41-T361 PolarHBondContact O-OG1 3.25Å; V296-T361 HydrophobicContact CG1-CG2 3.7Å; V297-T361 PolarHBondContact O-N 2.85Å; V297-T361 PolarHBondContact O-OG1 2.84Å; A299-T361 WeakPolarHBondContact CB-O 3.07Å; A299-T361 PolarHBondContact N-O 3.44Å; T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 2.86Å
362K95.3Very high97.5Very high56 Ų5629.8 Ų29.824%0.24317%0.166CC..  trans57.535.7174.7-61.9-159.6175.9-169.70114K298 Y300 G325 E327 D364 I365 G444K298-K362 HydrophobicContact CD-CD 4.15Å; K298-K362 HydrophobicContact CG-CB 4.09Å; K298-K362 HydrophobicContact CG-CD 4.33Å; K298-K362 HydrophobicContact CG-CG 4.45Å; Y300-K362 HydrophobicContact CE1-CB 3.98Å; Y300-K362 HydrophobicContact CE1-CD 4.44Å; G325-K362 PolarHBondContact O-NZ 3.17Å; E327-K362 WeakPolarHBondContact OE1-CD 3.36Å; E327-K362 IonicContact OE1-NZ 3.73Å; E327-K362 PolarHBondContact OE1-NZ 2.88Å; E327-K362 IonicContact OE2-NZ 2.92Å; K362-D364 WeakPolarHBondContact CA-OD1 2.95Å; K362-D364 PolarHBondContact O-N 3.17Å; K362-I365 HydrophobicContact CB-CG1 3.84Å; K362-I365 HydrophobicContact CD-CG1 4.3Å; K362-I365 HydrophobicContact CG-CG1 4.49Å; K362-I365 WeakPolarHBondContact O-CB 3.29Å; K362-I365 PolarHBondContact O-N 2.75Å; K362-G444 PolarHBondContact N-O 2.95Å
363L98.1Very high97.5Very high0 Ų031.9 Ų31.90%017%0.174CC..G310 helixtrans-62.5-34.4175.9-171.365000111A299 L360 T361 I365 L366 W408 I412 L421 Y428 V429 I443 G444A299-L363 HydrophobicContact CB-CB 4.44Å; A299-L363 HydrophobicContact CB-CD1 3.97Å; L360-L363 HydrophobicContact CD2-CD1 4.22Å; T361-L363 VanDerWaalsContact C-N 3.27Å; T361-L363 PolarHBondContact O-N 2.86Å; L363-I365 PolarHBondContact O-N 2.86Å; L363-I365 VanDerWaalsContact O-N 3.09Å; L363-L366 HydrophobicContact CD1-CD1 4.47Å; L363-L366 WeakPolarHBondContact O-CB 3.29Å; L363-L366 PolarHBondContact O-N 3.43Å; L363-W408 HydrophobicContact CD1-CH2 3.59Å; L363-W408 HydrophobicContact CD1-CZ2 3.91Å; L363-W408 HydrophobicContact CG-CH2 4.14Å; L363-W408 HydrophobicContact CG-CZ2 3.94Å; L363-I412 HydrophobicContact CB-CD1 3.98Å; L363-I412 HydrophobicContact CD2-CD1 3.8Å; L363-I412 HydrophobicContact CG-CD1 3.68Å; L363-L421 HydrophobicContact CD2-CD1 4.41Å; L363-Y428 HydrophobicContact CD1-CD1 3.82Å; L363-Y428 HydrophobicContact CD1-CE1 4.15Å; L363-V429 HydrophobicContact CD2-CG2 4.22Å; L363-I443 HydrophobicContact CB-CG2 4.1Å; L363-I443 HydrophobicContact CD2-CG2 3.51Å; L363-I443 HydrophobicContact CG-CG2 4.44Å; L363-G444 WeakPolarHBondContact CB-O 3.46Å; L363-G444 PolarHBondContact N-O 2.84Å
364D96.6Very high97.5Very high27 Ų2731.6 Ų31.614%0.14417%0.173CC..G310 helixtrans-58.1-21177.758.5-64.3000114.5R324 K362 L366 D367 I412 V445 G446R324-D364 PolarHBondContact NH2-O 2.89Å; R324-D364 VanDerWaalsContact NH2-O 3.09Å; K362-D364 WeakPolarHBondContact CA-OD1 2.95Å; K362-D364 PolarHBondContact O-N 3.17Å; D364-L366 PolarHBondContact O-N 2.91Å; D364-D367 WeakPolarHBondContact CA-OD1 3.32Å; D364-D367 WeakPolarHBondContact O-CB 3.32Å; D364-D367 PolarHBondContact O-N 3.49Å; D364-I412 HydrophobicContact CB-CG1 4.18Å; D364-V445 WeakPolarHBondContact CB-O 3.24Å; D364-G446 PolarHBondContact OD1-N 2.72Å
365I96.7Very high97.6Very high10 Ų1029.4 Ų29.45%0.05115%0.149CC..G310 helixtrans-69.6-27.1177.4-56.2-50.6000111Y300 L321 R324 K362 L363 D367Y300-I365 HydrophobicContact CD1-CB 4.41Å; Y300-I365 HydrophobicContact CD1-CG2 4.42Å; Y300-I365 HydrophobicContact CE1-CB 3.64Å; Y300-I365 HydrophobicContact CE1-CG1 3.94Å; Y300-I365 HydrophobicContact CE1-CG2 3.66Å; L321-I365 HydrophobicContact CD2-CG2 4.21Å; R324-I365 HydrophobicContact CB-CD1 4.44Å; R324-I365 HydrophobicContact CB-CG2 3.89Å; R324-I365 PolarHBondContact NE-O 2.81Å; R324-I365 VanDerWaalsContact NE-O 3.09Å; R324-I365 WeakPolarHBondContact O-CD1 3.38Å; K362-I365 HydrophobicContact CB-CG1 3.84Å; K362-I365 HydrophobicContact CD-CG1 4.3Å; K362-I365 HydrophobicContact CG-CG1 4.49Å; K362-I365 WeakPolarHBondContact O-CB 3.29Å; K362-I365 PolarHBondContact O-N 2.75Å; L363-I365 PolarHBondContact O-N 2.86Å; L363-I365 VanDerWaalsContact O-N 3.09Å; I365-D367 VanDerWaalsContact C-N 3.3Å; I365-D367 PolarHBondContact O-N 3Å
366L98.3Very high97.5Very high0 Ų030.5 Ų30.50%016%0.157CC..G310 helixtrans-83.8-2.2-179.3-56.3-176.1000113.7A299 Y300 L321 L363 D364 M368 F369 I372 W408 Y428A299-L366 HydrophobicContact CB-CD1 3.94Å; Y300-L366 HydrophobicContact CD1-CD2 4.26Å; L321-L366 HydrophobicContact CD2-CD2 3.73Å; L363-L366 HydrophobicContact CD1-CD1 4.47Å; L363-L366 WeakPolarHBondContact O-CB 3.29Å; L363-L366 PolarHBondContact O-N 3.43Å; D364-L366 PolarHBondContact O-N 2.91Å; L366-M368 PolarHBondContact O-N 3.5Å; L366-F369 HydrophobicContact CB-CD2 4.43Å; L366-F369 HydrophobicContact CD2-CD2 4.2Å; L366-F369 HydrophobicContact CD2-CE2 4.14Å; L366-F369 PolarHBondContact O-N 3.47Å; L366-F369 VanDerWaalsContact O-N 3.16Å; L366-I372 HydrophobicContact CB-CD1 3.98Å; L366-I372 HydrophobicContact CD1-CD1 4.21Å; L366-I372 HydrophobicContact CD1-CG2 4.41Å; L366-W408 HydrophobicContact CB-CH2 3.68Å; L366-W408 HydrophobicContact CB-CZ2 3.62Å; L366-W408 HydrophobicContact CD1-CH2 4.11Å; L366-Y428 HydrophobicContact CD1-CE1 3.97Å
367D97.3Very high97.5Very high3 Ų328.5 Ų28.52%0.01615%0.146CC..G310 helixtrans-56.7-22.5-173.9-72.2-1.4000115.6D364 I365 W408 N409 T410 D411 I412D364-D367 WeakPolarHBondContact CA-OD1 3.32Å; D364-D367 WeakPolarHBondContact O-CB 3.32Å; D364-D367 PolarHBondContact O-N 3.49Å; I365-D367 VanDerWaalsContact C-N 3.3Å; I365-D367 PolarHBondContact O-N 3Å; D367-W408 PolarHBondContact OD1-NE1 2.79Å; D367-N409 CarbonylContact O-C 3.59Å; D367-N409 WeakPolarHBondContact O-CA 3.48Å; D367-N409 PolarHBondContact O-N 3.01Å; D367-T410 WeakPolarHBondContact CB-O 3.39Å; D367-T410 PolarHBondContact O-N 2.85Å; D367-D411 WeakPolarHBondContact OD2-CA 3.43Å; D367-I412 WeakPolarHBondContact OD1-CD1 3.49Å; D367-I412 VanDerWaalsContact OD1-CG1 3.32Å; D367-I412 WeakPolarHBondContact OD1-CG1 3.42Å; D367-I412 PolarHBondContact OD2-N 2.73Å
368M92.4Very high97.5Very high103 Ų10328.5 Ų28.551%0.50715%0.146SC..G310 helixtrans-95.7-6.3-175-61.9-60.9-54.900114.1R324 L366R324-M368 VanDerWaalsContact CZ-CG 3.43Å; R324-M368 VanDerWaalsContact NH1-CG 3.33Å; L366-M368 PolarHBondContact O-N 3.5Å
369F97Very high97.5Very high20 Ų2031.2 Ų31.29%0.08816%0.158CC..  trans-83.4137.1-174.8-70.3-82.7000110.9I317 L320 L321 W340 L366 I372 G407 W408I317-F369 HydrophobicContact CG2-CE1 4.02Å; I317-F369 HydrophobicContact CG2-CZ 4.26Å; L320-F369 HydrophobicContact CD2-CE1 3.98Å; L320-F369 HydrophobicContact CD2-CE2 4.41Å; L320-F369 HydrophobicContact CD2-CZ 3.76Å; L320-F369 HydrophobicContact CG-CZ 4.27Å; L321-F369 HydrophobicContact CD2-CE2 3.83Å; L321-F369 HydrophobicContact CD2-CZ 4.01Å; L321-F369 HydrophobicContact CG-CE2 4.47Å; L321-F369 HydrophobicContact CG-CZ 4.16Å; W340-F369 AromaticContact CH2-CD1 3.74Å; W340-F369 HydrophobicContact CH2-CD1 3.74Å; W340-F369 AromaticContact CH2-CE1 3.66Å; W340-F369 HydrophobicContact CH2-CE1 3.66Å; W340-F369 HydrophobicContact CH2-CG 4.24Å; W340-F369 HydrophobicContact CH2-CZ 4.09Å; W340-F369 HydrophobicContact CZ2-CE1 4.42Å; W340-F369 HydrophobicContact CZ3-CE1 4.46Å; W340-F369 HydrophobicContact CZ3-CZ 4.5Å; L366-F369 HydrophobicContact CB-CD2 4.43Å; L366-F369 HydrophobicContact CD2-CD2 4.2Å; L366-F369 HydrophobicContact CD2-CE2 4.14Å; L366-F369 PolarHBondContact O-N 3.47Å; L366-F369 VanDerWaalsContact O-N 3.16Å; F369-I372 HydrophobicContact CB-CD1 4.44Å; F369-I372 HydrophobicContact CB-CG1 3.73Å; F369-I372 HydrophobicContact CG-CG1 4.41Å; F369-G407 CarbonylContact O-C 3.21Å; F369-G407 VanDerWaalsContact O-CA 3.24Å; F369-G407 WeakPolarHBondContact O-CA 3.31Å; F369-W408 PolarHBondContact O-N 3.05Å
370T96.7Very high97.4Very high110 Ų11032.8 Ų32.868%0.67517%0.166SC*.SBendtrans-81.1-32.9168.450.30000111.4G407T370-G407 PolarHBondContact O-N 2.86Å
371E98Very high97.2Very high119 Ų11940.3 Ų40.356%0.55621%0.206SC*.EExtended strand (participates in β ladder)trans-135.8139.3174.8-65.8-172.5161.600109.7T404 L405E371-T404 HydrophobicContact CB-CG2 3.92Å; E371-T404 HydrophobicContact CG-CG2 4.18Å; E371-L405 WeakPolarHBondContact CA-O 3.21Å
372I98.5Very high97Very high0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-121.5127.2178.3-61.3166.2000107.5W340 L366 F369 L405 W408 Y428W340-I372 HydrophobicContact CE3-CG2 4.14Å; W340-I372 HydrophobicContact CZ3-CB 4.48Å; W340-I372 HydrophobicContact CZ3-CG2 3.88Å; L366-I372 HydrophobicContact CB-CD1 3.98Å; L366-I372 HydrophobicContact CD1-CD1 4.21Å; L366-I372 HydrophobicContact CD1-CG2 4.41Å; F369-I372 HydrophobicContact CB-CD1 4.44Å; F369-I372 HydrophobicContact CB-CG1 3.73Å; F369-I372 HydrophobicContact CG-CG1 4.41Å; I372-L405 PolarHBondContact N-O 2.87Å; I372-L405 PolarHBondContact O-N 3.04Å; I372-W408 HydrophobicContact CD1-CE3 3.9Å; I372-W408 HydrophobicContact CD1-CH2 3.74Å; I372-W408 HydrophobicContact CD1-CZ3 3.33Å; I372-Y428 HydrophobicContact CB-CE2 4.47Å; I372-Y428 HydrophobicContact CG2-CD2 4.25Å; I372-Y428 HydrophobicContact CG2-CE2 3.57Å
373K98.7Very high97.1Very high89 Ų8946 Ų4639%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-96.1143.6174.5-66.5-177.5-179.5179.10110W340 Y402 K403W340-K373 VanDerWaalsContact CB-O 3.3Å; W340-K373 WeakPolarHBondContact CB-O 3.46Å; W340-K373 HydrophobicContact CD2-CB 4.1Å; W340-K373 HydrophobicContact CG-CB 3.99Å; K373-Y402 HydrophobicContact CB-CD1 3.77Å; K373-Y402 HydrophobicContact CB-CG 4.21Å; K373-Y402 HydrophobicContact CD-CG 4.42Å; K373-K403 WeakPolarHBondContact CA-O 3.48Å
374V98.8Very high97Very high0 Ų050.7 Ų50.70%027%0.268CS..EExtended strand (participates in β ladder)trans-129.4125175.8-179.50000108.4L341 L343 V376 Y402 K403 L405 Y428 F431L341-V374 HydrophobicContact CB-CG1 4.23Å; L341-V374 HydrophobicContact CD2-CG1 4.36Å; L341-V374 HydrophobicContact CG-CG1 4.43Å; L343-V374 HydrophobicContact CD1-CG1 3.67Å; L343-V374 HydrophobicContact CD2-CG1 4.1Å; L343-V374 HydrophobicContact CG-CG1 3.51Å; V374-V376 HydrophobicContact CG1-CG1 4.42Å; V374-V376 PolarHBondContact O-N 2.89Å; V374-Y402 CarbonylContact O-C 3.48Å; V374-Y402 VanDerWaalsContact O-CA 3.27Å; V374-Y402 WeakPolarHBondContact O-CA 3.36Å; V374-K403 PolarHBondContact N-O 2.87Å; V374-K403 PolarHBondContact O-N 3.35Å; V374-L405 HydrophobicContact CG2-CD1 4.14Å; V374-Y428 HydrophobicContact CG2-CD2 4.48Å; V374-Y428 HydrophobicContact CG2-CE2 3.54Å; V374-F431 HydrophobicContact CB-CE1 4.11Å; V374-F431 HydrophobicContact CG1-CE1 4.01Å; V374-F431 HydrophobicContact CG2-CE1 4.39Å
375G98.6Very high97Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-71117.9174.700000109.8L341 L343L341-G375 PolarHBondContact O-N 3.39Å; L343-G375 WeakPolarHBondContact CB-O 3.34Å; L343-G375 PolarHBondContact N-O 3.45Å
376V98.1Very high96.6Very high33 Ų3355.5 Ų55.520%0.230%0.3CS..EExtended strand (participates in β ladder)trans-112.4-23.3-173-65.10000113.5L343 V374 Q401 K403 F431L343-V376 HydrophobicContact CD1-CG1 4.2Å; V374-V376 HydrophobicContact CG1-CG1 4.42Å; V374-V376 PolarHBondContact O-N 2.89Å; V376-Q401 WeakPolarHBondContact CG2-O 3.48Å; V376-Q401 PolarHBondContact N-O 3.15Å; V376-K403 HydrophobicContact CG1-CB 3.8Å; V376-F431 HydrophobicContact CG1-CE1 4.28Å; V376-F431 HydrophobicContact CG1-CZ 3.9Å
377A98.1Very high96.2Very high16 Ų1660.6 Ų60.613%0.13232%0.324CS..EExtended strand (participates in β ladder)trans-152.1154.1179.600000110.9I384 Q401A377-I384 HydrophobicContact CB-CG2 4.1Å; A377-Q401 HydrophobicContact CB-CB 4.2Å; A377-Q401 PolarHBondContact O-N 2.81Å
378Y98.2Very high96Very high0 Ų061.5 Ų61.50%033%0.328CS..EExtended strand (participates in β ladder)trans-106.4140.5169.8-65.9-17.9000109.8P310 D342 V344 L345 I384 I385 I388 L395 V398 V400P310-Y378 HydrophobicContact CB-CE1 3.86Å; P310-Y378 HydrophobicContact CG-CE1 4.33Å; P310-Y378 HydrophobicContact CG-CE2 4.41Å; D342-Y378 PolarHBondContact OD1-OH 3.38Å; D342-Y378 WeakPolarHBondContact OD2-CE1 3.42Å; D342-Y378 PolarHBondContact OD2-OH 2.82Å; V344-Y378 HydrophobicContact CB-CD1 4.28Å; V344-Y378 HydrophobicContact CB-CD2 4.2Å; V344-Y378 HydrophobicContact CB-CE1 3.97Å; V344-Y378 HydrophobicContact CB-CE2 3.9Å; V344-Y378 HydrophobicContact CB-CG 4.39Å; V344-Y378 HydrophobicContact CG1-CD2 3.67Å; V344-Y378 HydrophobicContact CG1-CE1 4.49Å; V344-Y378 HydrophobicContact CG1-CE2 3.63Å; V344-Y378 HydrophobicContact CG1-CG 4.14Å; V344-Y378 HydrophobicContact CG2-CD1 3.92Å; V344-Y378 HydrophobicContact CG2-CD2 4.49Å; V344-Y378 HydrophobicContact CG2-CE1 3.95Å; V344-Y378 HydrophobicContact CG2-CG 4.19Å; L345-Y378 WeakPolarHBondContact CD2-OH 3.27Å; L345-Y378 WeakPolarHBondContact CG-OH 3.42Å; Y378-I384 WeakPolarHBondContact O-CA 3.39Å; Y378-I385 PolarHBondContact O-N 3.45Å; Y378-I388 HydrophobicContact CE2-CG1 4.28Å; Y378-L395 HydrophobicContact CD2-CD1 4.42Å; Y378-L395 HydrophobicContact CE2-CD1 3.93Å; Y378-V398 HydrophobicContact CD1-CG2 4.09Å; Y378-V398 HydrophobicContact CD2-CG2 4.19Å; Y378-V398 HydrophobicContact CE1-CG2 4.47Å; Y378-V398 HydrophobicContact CG-CB 4.3Å; Y378-V398 HydrophobicContact CG-CG2 3.95Å; Y378-V400 HydrophobicContact CD1-CG2 4.02Å; Y378-V400 HydrophobicContact CE1-CG2 3.92Å
379K98Very high96.1Very high61 Ų6157.2 Ų57.227%0.26531%0.308SS..EExtended strand (participates in β ladder)trans-118.1131.7174.1-173.4-173.5-179.7-157.50108.9G382 E383 V398 E399K379-G382 WeakPolarHBondContact CE-O 3.31Å; K379-E383 CarbonylContact C-O 3.56Å; K379-E383 VanDerWaalsContact CA-O 3.22Å; K379-E383 WeakPolarHBondContact CA-O 3.19Å; K379-V398 CarbonylContact O-C 3.56Å; K379-V398 WeakPolarHBondContact O-CA 3.41Å; K379-E399 HydrophobicContact CB-CB 4.2Å; K379-E399 PolarHBondContact N-O 2.87Å; K379-E399 IonicContact NZ-OE2 2.81Å; K379-E399 PolarHBondContact O-N 2.9Å
380L96.7Very high95.9Very high34 Ų3461.1 Ų61.118%0.17834%0.344CS..EExtended strand (participates in β ladder)trans-129126.5177.3-177.567000108G382 E383 I385 V394 K397 V398L380-G382 PolarHBondContact O-N 2.97Å; L380-G382 VanDerWaalsContact O-N 3.11Å; L380-E383 PolarHBondContact N-O 3.41Å; L380-E383 PolarHBondContact O-N 2.89Å; L380-I385 HydrophobicContact CB-CD1 4.2Å; L380-I385 HydrophobicContact CB-CG2 4.21Å; L380-V394 HydrophobicContact CD1-CG1 4.05Å; L380-V394 HydrophobicContact CD2-CG1 3.48Å; L380-V394 VanDerWaalsContact CD2-CG1 3.48Å; L380-V394 HydrophobicContact CG-CG1 4.44Å; L380-K397 HydrophobicContact CD1-CB 4.27Å; L380-V398 HydrophobicContact CD1-CG1 4.47Å
381D94.2Very high95.7Very high158 Ų15859.7 Ų59.785%0.84533%0.333SS*.THydrogen-bonded Turntrans50.936.3178.9-57.8-37.2000114.5
382G93.7Very high95.2Very high41 Ų4154.6 Ų54.642%0.42331%0.309SS..THydrogen-bonded Turntrans100.2-18.6179.800000115K379 L380K379-G382 WeakPolarHBondContact CE-O 3.31Å; L380-G382 PolarHBondContact O-N 2.97Å; L380-G382 VanDerWaalsContact O-N 3.11Å
383E96.2Very high94.9Very high142 Ų14259.8 Ų59.866%0.66433%0.333SS*.EExtended strand (participates in β ladder)trans-115.2141.1-169-66.3-60.6149.500112.5K379 L380 I385K379-E383 CarbonylContact C-O 3.56Å; K379-E383 VanDerWaalsContact CA-O 3.22Å; K379-E383 WeakPolarHBondContact CA-O 3.19Å; L380-E383 PolarHBondContact N-O 3.41Å; L380-E383 PolarHBondContact O-N 2.89Å; E383-I385 PolarHBondContact O-N 3.05Å
384I96.6Very high94.7Very high98 Ų9857.8 Ų57.850%0.50333%0.328SS..EExtended strand (participates in β ladder)trans-73.6126.9174.5-64.4175.5000108.8A377 Y378A377-I384 HydrophobicContact CB-CG2 4.1Å; Y378-I384 WeakPolarHBondContact O-CA 3.39Å
385I95.4Very high94.5Very high25 Ų2558 Ų5813%0.12833%0.329CS..EExtended strand (participates in β ladder)trans-102.7137177.158.4174.1000110.7Y378 L380 E383 H387 P389 V398Y378-I385 PolarHBondContact O-N 3.45Å; L380-I385 HydrophobicContact CB-CD1 4.2Å; L380-I385 HydrophobicContact CB-CG2 4.21Å; E383-I385 PolarHBondContact O-N 3.05Å; I385-H387 WeakPolarHBondContact CD1-O 3.22Å; I385-H387 PolarHBondContact O-N 3.25Å; I385-P389 HydrophobicContact CD1-CG 3.56Å; I385-V398 HydrophobicContact CD1-CG1 4.32Å
386P88.4Confident94.2Very high113 Ų11362.4 Ų62.473%0.73435%0.353SS*.SBendtrans-844.8-177.634.5-37.4000113.6
387H90.9Very high94.1Very high108 Ų10868 Ų6850%0.537%0.374SS..SBendtrans-141.5163.4-171.561.4-85.7000111.1I385 P389I385-H387 WeakPolarHBondContact CD1-O 3.22Å; I385-H387 PolarHBondContact O-N 3.25Å; H387-P389 WeakPolarHBondContact O-CD 3.49Å
388I92.9Very high94Very high22 Ų2267.9 Ų67.911%0.11337%0.372CS..  trans-82.7126.6170-52.8173.4000108.1V344 L345 Y348 Y378 A390 L395V344-I388 HydrophobicContact CG1-CG1 4.13Å; L345-I388 HydrophobicContact CD2-CD1 3.46Å; L345-I388 VanDerWaalsContact CD2-CD1 3.46Å; L345-I388 HydrophobicContact CD2-CG1 4.24Å; Y348-I388 HydrophobicContact CD1-CD1 3.43Å; Y348-I388 VanDerWaalsContact CD1-CD1 3.43Å; Y348-I388 HydrophobicContact CD2-CD1 4.04Å; Y348-I388 HydrophobicContact CD2-CG1 4.45Å; Y348-I388 HydrophobicContact CE1-CD1 4.18Å; Y348-I388 HydrophobicContact CG-CD1 3.32Å; Y348-I388 HydrophobicContact CG-CG1 4.11Å; Y378-I388 HydrophobicContact CE2-CG1 4.28Å; I388-A390 PolarHBondContact O-N 3.26Å; I388-L395 HydrophobicContact CG2-CD1 3.7Å; I388-L395 HydrophobicContact CG2-CD2 3.95Å; I388-L395 HydrophobicContact CG2-CG 4.45Å
389P95Very high94Very high12 Ų1273.7 Ų73.78%0.07840%0.399CS..  trans-56.7127.7170-26.934.5000111.9I385 H387 N391 V394 L395 V398I385-P389 HydrophobicContact CD1-CG 3.56Å; H387-P389 WeakPolarHBondContact O-CD 3.49Å; P389-N391 VanDerWaalsContact C-N 3.31Å; P389-N391 PolarHBondContact O-N 2.88Å; P389-V394 HydrophobicContact CB-CB 4.01Å; P389-V394 HydrophobicContact CB-CG1 3.69Å; P389-V394 HydrophobicContact CG-CG1 3.92Å; P389-L395 HydrophobicContact CB-CB 4.41Å; P389-V398 HydrophobicContact CG-CG1 4Å
390A92Very high94Very high103 Ų10372 Ų7285%0.85139%0.394SS*.SBendtrans-70.2-28.6177.700000112.6I388I388-A390 PolarHBondContact O-N 3.26Å
391N92.1Very high94Very high80 Ų8074.1 Ų74.143%0.42840%0.403SS..SBendtrans-82.2129.3172.9177.5-78.6000109.9P389 E393 V394 L395P389-N391 VanDerWaalsContact C-N 3.31Å; P389-N391 PolarHBondContact O-N 2.88Å; N391-E393 PolarHBondContact ND2-OE2 2.65Å; N391-E393 WeakPolarHBondContact OD1-CA 3.37Å; N391-E393 WeakPolarHBondContact OD1-CB 3.06Å; N391-E393 PolarHBondContact OD1-N 3.29Å; N391-E393 PolarHBondContact OD1-OE2 2.84Å; N391-V394 HydrophobicContact CB-CB 4.3Å; N391-V394 HydrophobicContact CB-CG2 4.02Å; N391-V394 WeakPolarHBondContact O-CB 3.44Å; N391-V394 PolarHBondContact O-N 3.44Å; N391-V394 PolarHBondContact OD1-N 2.97Å; N391-L395 PolarHBondContact O-N 3.11Å
392Q88.8Confident94.2Very high12 Ų1270.2 Ų70.26%0.05638%0.377CS..Hα-helixtrans-74.2-35.1-173.3-170.1-174.9-11.400114F268 A308 V394 L395 N396F268-Q392 VanDerWaalsContact CD2-CD 3.42Å; A308-Q392 HydrophobicContact CB-CG 3.71Å; Q392-V394 PolarHBondContact O-N 3.18Å; Q392-L395 PolarHBondContact O-N 3.29Å; Q392-L395 VanDerWaalsContact O-N 3.16Å; Q392-N396 PolarHBondContact O-N 3.39Å; Q392-N396 PolarHBondContact O-ND2 2.95Å
393E91Very high94.5Very high108 Ų10873.4 Ų73.451%0.50538%0.379SS..Hα-helixtrans-63.1-30.7174.6-67.665.7-154.400110.9N391 K397N391-E393 PolarHBondContact ND2-OE2 2.65Å; N391-E393 WeakPolarHBondContact OD1-CA 3.37Å; N391-E393 WeakPolarHBondContact OD1-CB 3.06Å; N391-E393 PolarHBondContact OD1-N 3.29Å; N391-E393 PolarHBondContact OD1-OE2 2.84Å; E393-K397 WeakPolarHBondContact O-CG 3.3Å
394V94.8Very high94.6Very high48 Ų4869.6 Ų69.629%0.29137%0.365SS..Hα-helixtrans-74.5-45.1169.8-178.60000110.7L380 P389 N391 Q392 N396 K397L380-V394 HydrophobicContact CD1-CG1 4.05Å; L380-V394 HydrophobicContact CD2-CG1 3.48Å; L380-V394 VanDerWaalsContact CD2-CG1 3.48Å; L380-V394 HydrophobicContact CG-CG1 4.44Å; P389-V394 HydrophobicContact CB-CB 4.01Å; P389-V394 HydrophobicContact CB-CG1 3.69Å; P389-V394 HydrophobicContact CG-CG1 3.92Å; N391-V394 HydrophobicContact CB-CB 4.3Å; N391-V394 HydrophobicContact CB-CG2 4.02Å; N391-V394 WeakPolarHBondContact O-CB 3.44Å; N391-V394 PolarHBondContact O-N 3.44Å; N391-V394 PolarHBondContact OD1-N 2.97Å; Q392-V394 PolarHBondContact O-N 3.18Å; V394-N396 PolarHBondContact O-N 3.36Å; V394-K397 WeakPolarHBondContact O-CB 3.4Å; V394-K397 PolarHBondContact O-N 3.32Å
395L94.9Very high94.7Very high5 Ų566.1 Ų66.13%0.02635%0.348CS..Hα-helixtrans-58.8-34.3177.4-17758.5000112.5T265 A308 P310 Y378 I388 P389 N391 Q392 K397 V398T265-L395 HydrophobicContact CG2-CD2 4.11Å; A308-L395 HydrophobicContact CB-CB 4.15Å; A308-L395 HydrophobicContact CB-CD2 3.66Å; A308-L395 HydrophobicContact CB-CG 3.76Å; P310-L395 HydrophobicContact CG-CD1 3.72Å; P310-L395 HydrophobicContact CG-CG 4.05Å; Y378-L395 HydrophobicContact CD2-CD1 4.42Å; Y378-L395 HydrophobicContact CE2-CD1 3.93Å; I388-L395 HydrophobicContact CG2-CD1 3.7Å; I388-L395 HydrophobicContact CG2-CD2 3.95Å; I388-L395 HydrophobicContact CG2-CG 4.45Å; P389-L395 HydrophobicContact CB-CB 4.41Å; N391-L395 PolarHBondContact O-N 3.11Å; Q392-L395 PolarHBondContact O-N 3.29Å; Q392-L395 VanDerWaalsContact O-N 3.16Å; L395-K397 PolarHBondContact O-N 3.32Å; L395-V398 HydrophobicContact CD1-CG1 4.47Å; L395-V398 HydrophobicContact CD1-CG2 4.31Å; L395-V398 VanDerWaalsContact O-CG2 3.23Å; L395-V398 WeakPolarHBondContact O-CG2 3.38Å; L395-V398 PolarHBondContact O-N 3.49Å
396N92.5Very high94.9Very high92 Ų9268.8 Ų68.849%0.49237%0.367SS..THydrogen-bonded Turntrans-69.1-17.2175.1-77.7-37.2000114A308 Q392 V394A308-N396 WeakPolarHBondContact CA-OD1 3.22Å; A308-N396 WeakPolarHBondContact CB-OD1 3.27Å; Q392-N396 PolarHBondContact O-N 3.39Å; Q392-N396 PolarHBondContact O-ND2 2.95Å; V394-N396 PolarHBondContact O-N 3.36Å
397K95.1Very high95.3Very high149 Ų14963.7 Ų63.765%0.64834%0.335SS*.THydrogen-bonded Turntrans-95-6.3-179.5-66.9173.4-175.4-178.80113L380 E393 V394 L395 E399L380-K397 HydrophobicContact CD1-CB 4.27Å; E393-K397 WeakPolarHBondContact O-CG 3.3Å; V394-K397 WeakPolarHBondContact O-CB 3.4Å; V394-K397 PolarHBondContact O-N 3.32Å; L395-K397 PolarHBondContact O-N 3.32Å; K397-E399 PolarHBondContact O-N 2.74Å
398V97.2Very high95.7Very high14 Ų1459.2 Ų59.29%0.08531%0.314CS..PPolyproline II helixtrans-68.2135.9-178.1-53.70000110.2P310 Y378 K379 L380 I385 P389 L395P310-V398 HydrophobicContact CB-CG2 3.91Å; P310-V398 HydrophobicContact CG-CG2 4.09Å; Y378-V398 HydrophobicContact CD1-CG2 4.09Å; Y378-V398 HydrophobicContact CD2-CG2 4.19Å; Y378-V398 HydrophobicContact CE1-CG2 4.47Å; Y378-V398 HydrophobicContact CG-CB 4.3Å; Y378-V398 HydrophobicContact CG-CG2 3.95Å; K379-V398 CarbonylContact O-C 3.56Å; K379-V398 WeakPolarHBondContact O-CA 3.41Å; L380-V398 HydrophobicContact CD1-CG1 4.47Å; I385-V398 HydrophobicContact CD1-CG1 4.32Å; P389-V398 HydrophobicContact CG-CG1 4Å; L395-V398 HydrophobicContact CD1-CG1 4.47Å; L395-V398 HydrophobicContact CD1-CG2 4.31Å; L395-V398 VanDerWaalsContact O-CG2 3.23Å; L395-V398 WeakPolarHBondContact O-CG2 3.38Å; L395-V398 PolarHBondContact O-N 3.49Å
399E97.4Very high95.7Very high123 Ų12362.7 Ų62.758%0.57533%0.333SS*.EExtended strand (participates in β ladder)trans-86123167.6-66.1174.4-175.800108.2K379 K397K379-E399 HydrophobicContact CB-CB 4.2Å; K379-E399 PolarHBondContact N-O 2.87Å; K379-E399 IonicContact NZ-OE2 2.81Å; K379-E399 PolarHBondContact O-N 2.9Å; K397-E399 PolarHBondContact O-N 2.74Å
400V98.1Very high95.8Very high25 Ų2565.5 Ų65.515%0.15235%0.349CS..EExtended strand (participates in β ladder)trans-83.6125.8177.2-176.60000110.1P310 T311 Y378 Y402P310-V400 HydrophobicContact CB-CG2 3.58Å; P310-V400 VanDerWaalsContact O-CG2 3.31Å; P310-V400 WeakPolarHBondContact O-CG2 3.37Å; T311-V400 HydrophobicContact CG2-CG1 3.93Å; T311-V400 HydrophobicContact CG2-CG2 4.31Å; Y378-V400 HydrophobicContact CD1-CG2 4.02Å; Y378-V400 HydrophobicContact CE1-CG2 3.92Å; V400-Y402 HydrophobicContact CB-CD2 4.35Å; V400-Y402 HydrophobicContact CB-CE2 3.65Å; V400-Y402 HydrophobicContact CG1-CD1 4.25Å; V400-Y402 HydrophobicContact CG1-CD2 4.13Å; V400-Y402 HydrophobicContact CG1-CE1 3.84Å; V400-Y402 HydrophobicContact CG1-CE2 3.71Å; V400-Y402 HydrophobicContact CG1-CG 4.39Å; V400-Y402 WeakPolarHBondContact O-CD2 3.46Å; V400-Y402 WeakPolarHBondContact O-CE2 3.39Å
401Q97.9Very high96.1Very high78 Ų7865.7 Ų65.736%0.36434%0.336SS..EExtended strand (participates in β ladder)trans-85.1127.7165.9-66.8-170.2-4.200109.8V376 A377V376-Q401 WeakPolarHBondContact CG2-O 3.48Å; V376-Q401 PolarHBondContact N-O 3.15Å; A377-Q401 HydrophobicContact CB-CB 4.2Å; A377-Q401 PolarHBondContact O-N 2.81Å
402Y98.5Very high96.3Very high76 Ų7662.1 Ų62.130%0.29832%0.317SS..EExtended strand (participates in β ladder)trans-107.5138.2-178.8-67.3-84.9000111.6T311 W340 K373 V374 V400T311-Y402 WeakPolarHBondContact CA-OH 3.41Å; T311-Y402 HydrophobicContact CG2-CE1 3.98Å; W340-Y402 HydrophobicContact CB-CE1 4Å; W340-Y402 AromaticContact CD1-CE1 3.93Å; W340-Y402 HydrophobicContact CG-CE1 4.31Å; K373-Y402 HydrophobicContact CB-CD1 3.77Å; K373-Y402 HydrophobicContact CB-CG 4.21Å; K373-Y402 HydrophobicContact CD-CG 4.42Å; V374-Y402 CarbonylContact O-C 3.48Å; V374-Y402 VanDerWaalsContact O-CA 3.27Å; V374-Y402 WeakPolarHBondContact O-CA 3.36Å; V400-Y402 HydrophobicContact CB-CD2 4.35Å; V400-Y402 HydrophobicContact CB-CE2 3.65Å; V400-Y402 HydrophobicContact CG1-CD1 4.25Å; V400-Y402 HydrophobicContact CG1-CD2 4.13Å; V400-Y402 HydrophobicContact CG1-CE1 3.84Å; V400-Y402 HydrophobicContact CG1-CE2 3.71Å; V400-Y402 HydrophobicContact CG1-CG 4.39Å; V400-Y402 WeakPolarHBondContact O-CD2 3.46Å; V400-Y402 WeakPolarHBondContact O-CE2 3.39Å
403K98.5Very high96.6Very high109 Ų10963.2 Ų63.247%0.47433%0.326SS..EExtended strand (participates in β ladder)trans-91.4126.9157.2-174.272.7175.9-1720108.3K373 V374 V376 L405 F431K373-K403 WeakPolarHBondContact CA-O 3.48Å; V374-K403 PolarHBondContact N-O 2.87Å; V374-K403 PolarHBondContact O-N 3.35Å; V376-K403 HydrophobicContact CG1-CB 3.8Å; K403-L405 HydrophobicContact CG-CD2 4.1Å; K403-L405 HydrophobicContact CG-CG 4.5Å; K403-F431 HydrophobicContact CB-CZ 3.89Å; K403-F431 HydrophobicContact CG-CE2 4.04Å; K403-F431 HydrophobicContact CG-CZ 3.76Å
404T98.8Very high96.8Very high61 Ų6164 Ų6437%0.37433%0.334SS..EExtended strand (participates in β ladder)trans-90129.2170.5-540000109.4E371E371-T404 HydrophobicContact CB-CG2 3.92Å; E371-T404 HydrophobicContact CG-CG2 4.18Å
405L98.6Very high96.9Very high26 Ų2662.1 Ų62.114%0.13632%0.324CS..EExtended strand (participates in β ladder)trans-116.9147175.1-60.6175.2000109.5E371 I372 V374 K403 G407 Y428 F431E371-L405 WeakPolarHBondContact CA-O 3.21Å; I372-L405 PolarHBondContact N-O 2.87Å; I372-L405 PolarHBondContact O-N 3.04Å; V374-L405 HydrophobicContact CG2-CD1 4.14Å; K403-L405 HydrophobicContact CG-CD2 4.1Å; K403-L405 HydrophobicContact CG-CG 4.5Å; L405-G407 PolarHBondContact O-N 3.38Å; L405-Y428 HydrophobicContact CD1-CD2 3.65Å; L405-Y428 HydrophobicContact CD1-CE2 4.15Å; L405-F431 HydrophobicContact CD1-CB 4.16Å; L405-F431 HydrophobicContact CD1-CD1 3.58Å; L405-F431 HydrophobicContact CD1-CE1 4.1Å; L405-F431 HydrophobicContact CD1-CG 3.85Å; L405-F431 HydrophobicContact CD2-CD2 4.36Å; L405-F431 HydrophobicContact CD2-CG 4.36Å
406P98.6Very high96.9Very high80 Ų8067 Ų6752%0.51934%0.341SS..EExtended strand (participates in β ladder)trans-61.1130170.4-20.632.9000110.4
407G98.1Very high97.1Very high7 Ų764 Ų647%0.07233%0.329CS..  trans-77.2175.5166.200000111.1F369 T370 L405 N424F369-G407 CarbonylContact O-C 3.21Å; F369-G407 VanDerWaalsContact O-CA 3.24Å; F369-G407 WeakPolarHBondContact O-CA 3.31Å; T370-G407 PolarHBondContact O-N 2.86Å; L405-G407 PolarHBondContact O-N 3.38Å; G407-N424 PolarHBondContact O-ND2 2.75Å
408W98.1Very high97.3Very high13 Ų1358.5 Ų58.55%0.04931%0.306CS..  trans-112.2-10.8-174.148.594.6000115.1L363 L366 D367 F369 I372 T410 I412 P422 N424 A425 Y428L363-W408 HydrophobicContact CD1-CH2 3.59Å; L363-W408 HydrophobicContact CD1-CZ2 3.91Å; L363-W408 HydrophobicContact CG-CH2 4.14Å; L363-W408 HydrophobicContact CG-CZ2 3.94Å; L366-W408 HydrophobicContact CB-CH2 3.68Å; L366-W408 HydrophobicContact CB-CZ2 3.62Å; L366-W408 HydrophobicContact CD1-CH2 4.11Å; D367-W408 PolarHBondContact OD1-NE1 2.79Å; F369-W408 PolarHBondContact O-N 3.05Å; I372-W408 HydrophobicContact CD1-CE3 3.9Å; I372-W408 HydrophobicContact CD1-CH2 3.74Å; I372-W408 HydrophobicContact CD1-CZ3 3.33Å; W408-T410 VanDerWaalsContact CD1-O 3.23Å; W408-T410 WeakPolarHBondContact O-CB 3.37Å; W408-T410 PolarHBondContact O-N 2.84Å; W408-T410 PolarHBondContact O-OG1 2.99Å; W408-I412 HydrophobicContact CZ2-CD1 4.48Å; W408-P422 HydrophobicContact CB-CB 3.72Å; W408-P422 HydrophobicContact CB-CG 4.07Å; W408-P422 HydrophobicContact CG-CB 4.34Å; W408-P422 HydrophobicContact CG-CG 4.31Å; W408-N424 HydrophobicContact CB-CB 4.07Å; W408-N424 HydrophobicContact CE3-CB 4.47Å; W408-A425 HydrophobicContact CD2-CB 3.6Å; W408-A425 VanDerWaalsContact CE3-CA 3.46Å; W408-A425 HydrophobicContact CE3-CB 3.71Å; W408-A425 HydrophobicContact CG-CB 4.04Å; W408-A425 HydrophobicContact CH2-CB 4.29Å; W408-A425 HydrophobicContact CZ2-CB 4.19Å; W408-A425 HydrophobicContact CZ3-CB 4.06Å; W408-Y428 HydrophobicContact CH2-CD1 4.47Å; W408-Y428 HydrophobicContact CH2-CG 4.42Å; W408-Y428 HydrophobicContact CZ3-CG 4.13Å
409N94.8Very high97.3Very high96 Ų9665.9 Ų65.951%0.51334%0.337SS..  trans41.537.1177.2-157.732.8000114.7D367D367-N409 CarbonylContact O-C 3.59Å; D367-N409 WeakPolarHBondContact O-CA 3.48Å; D367-N409 PolarHBondContact O-N 3.01Å
410T96.9Very high97.3Very high70 Ų7065.1 Ų65.143%0.42933%0.333SS..SBendtrans-143.2133.4-169.4-58.90000108.7D367 W408 I412 P422D367-T410 WeakPolarHBondContact CB-O 3.39Å; D367-T410 PolarHBondContact O-N 2.85Å; W408-T410 VanDerWaalsContact CD1-O 3.23Å; W408-T410 WeakPolarHBondContact O-CB 3.37Å; W408-T410 PolarHBondContact O-N 2.84Å; W408-T410 PolarHBondContact O-OG1 2.99Å; T410-I412 PolarHBondContact O-N 3.26Å; T410-P422 HydrophobicContact CG2-CG 3.99Å
411D96.8Very high97.3Very high107 Ų10764.1 Ų64.157%0.57233%0.327SS*.  trans-67.8120.5174.8177.815.2000110.9D367 S413D367-D411 WeakPolarHBondContact OD2-CA 3.43Å; D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 WeakPolarHBondContact OD1-CB 3.33Å; D411-S413 PolarHBondContact OD1-N 2.88Å; D411-S413 PolarHBondContact OD1-OG 3.29Å; D411-S413 PolarHBondContact OD2-OG 3.08Å; D411-S413 VanDerWaalsContact OD2-OG 3.13Å
412I97.4Very high97.3Very high5 Ų561.9 Ų61.93%0.02632%0.319CS..  trans-102.73.7179.572.1-179.1000113L363 D364 D367 W408 T410 N414 A415 L421 P422 V445L363-I412 HydrophobicContact CB-CD1 3.98Å; L363-I412 HydrophobicContact CD2-CD1 3.8Å; L363-I412 HydrophobicContact CG-CD1 3.68Å; D364-I412 HydrophobicContact CB-CG1 4.18Å; D367-I412 WeakPolarHBondContact OD1-CD1 3.49Å; D367-I412 VanDerWaalsContact OD1-CG1 3.32Å; D367-I412 WeakPolarHBondContact OD1-CG1 3.42Å; D367-I412 PolarHBondContact OD2-N 2.73Å; W408-I412 HydrophobicContact CZ2-CD1 4.48Å; T410-I412 PolarHBondContact O-N 3.26Å; I412-N414 PolarHBondContact O-N 3.2Å; I412-A415 VanDerWaalsContact O-CB 3.3Å; I412-A415 WeakPolarHBondContact O-CB 3.39Å; I412-A415 PolarHBondContact O-N 3.48Å; I412-L421 HydrophobicContact CB-CD2 3.98Å; I412-L421 HydrophobicContact CD1-CD2 4.11Å; I412-L421 HydrophobicContact CG1-CD2 4.48Å; I412-L421 HydrophobicContact CG2-CD2 4.29Å; I412-P422 VanDerWaalsContact CG2-CD 3.49Å; I412-P422 HydrophobicContact CG2-CG 3.94Å; I412-V445 HydrophobicContact CD1-CB 4.36Å; I412-V445 HydrophobicContact CD1-CG1 3.94Å; I412-V445 HydrophobicContact CG1-CB 4.1Å; I412-V445 HydrophobicContact CG1-CG1 4.13Å
413S94.7Very high97.3Very high36 Ų3662.6 Ų62.625%0.25233%0.331SS..THydrogen-bonded Turntrans-60.5-24.4-168.763.20000115.3D411 R416 V445D411-S413 VanDerWaalsContact CG-OG 3.29Å; D411-S413 WeakPolarHBondContact OD1-CB 3.33Å; D411-S413 PolarHBondContact OD1-N 2.88Å; D411-S413 PolarHBondContact OD1-OG 3.29Å; D411-S413 PolarHBondContact OD2-OG 3.08Å; D411-S413 VanDerWaalsContact OD2-OG 3.13Å; S413-R416 PolarHBondContact O-NH1 3.45Å; S413-V445 VanDerWaalsContact CA-O 3.26Å; S413-V445 WeakPolarHBondContact CA-O 2.96Å
414N95.3Very high97.3Very high124 Ų12460.1 Ų60.166%0.66332%0.323SS*.THydrogen-bonded Turntrans-94-5.2178.1-66.3-48.1000114.3I412 R416I412-N414 PolarHBondContact O-N 3.2Å; N414-R416 VanDerWaalsContact C-NH1 3.29Å; N414-R416 PolarHBondContact O-N 3.1Å; N414-R416 PolarHBondContact O-NH1 3.02Å
415A96.6Very high97.3Very high9 Ų957.2 Ų57.27%0.07431%0.305CS..  trans-65.3135.6176.800000110.9I412 E420 L421 V445 I453I412-A415 VanDerWaalsContact O-CB 3.3Å; I412-A415 WeakPolarHBondContact O-CB 3.39Å; I412-A415 PolarHBondContact O-N 3.48Å; A415-E420 HydrophobicContact CB-CB 4.1Å; A415-L421 HydrophobicContact CB-CD2 3.71Å; A415-L421 HydrophobicContact CB-CG 4.49Å; A415-V445 WeakPolarHBondContact O-CG2 3.32Å; A415-I453 HydrophobicContact CB-CD1 4.04Å
416R95.5Very high97.3Very high106 Ų10657.3 Ų57.340%0.431%0.305SS..  trans-126-9.3178-63-62.5177.8-87.9-3.1113.1S413 N414 E420 E450S413-R416 PolarHBondContact O-NH1 3.45Å; N414-R416 VanDerWaalsContact C-NH1 3.29Å; N414-R416 PolarHBondContact O-N 3.1Å; N414-R416 PolarHBondContact O-NH1 3.02Å; R416-E420 PolarHBondContact N-OE2 2.94Å; R416-E450 VanDerWaalsContact CD-O 3.29Å; R416-E450 WeakPolarHBondContact CD-O 3.38Å; R416-E450 PolarHBondContact NE-O 2.8Å; R416-E450 VanDerWaalsContact NE-O 3.1Å
417A96.6Very high97.3Very high29 Ų2957 Ų5724%0.2430%0.299CS..SBendtrans-129.4150.5170.800000111.5K419 E420A417-K419 HydrophobicContact CB-CG 4.11Å; A417-K419 PolarHBondContact O-N 3.11Å; A417-E420 HydrophobicContact CB-CG 4.18Å; A417-E420 PolarHBondContact N-OE2 3.09Å; A417-E420 WeakPolarHBondContact O-CB 3.45Å; A417-E420 PolarHBondContact O-N 2.93Å
418F98.1Very high97.4Very high35 Ų3556.8 Ų56.815%0.15430%0.296CS..G310 helixtrans-56.8-37.1-178.4-175.2-110.1000113.4E420 L421 Q426 V429 R430 I443 I453 L455F418-E420 PolarHBondContact O-N 3.28Å; F418-L421 HydrophobicContact CD2-CD1 3.78Å; F418-L421 HydrophobicContact CE2-CD1 4.16Å; F418-L421 WeakPolarHBondContact O-CB 3.27Å; F418-L421 PolarHBondContact O-N 2.9Å; F418-L421 VanDerWaalsContact O-N 3.16Å; F418-Q426 HydrophobicContact CD1-CG 4.32Å; F418-Q426 HydrophobicContact CE1-CB 3.97Å; F418-Q426 HydrophobicContact CE1-CG 3.88Å; F418-Q426 HydrophobicContact CE2-CB 4.22Å; F418-Q426 HydrophobicContact CE2-CG 4.14Å; F418-Q426 HydrophobicContact CZ-CB 3.61Å; F418-Q426 HydrophobicContact CZ-CG 3.79Å; F418-Q426 PolarHBondContact O-NE2 3.09Å; F418-V429 HydrophobicContact CE2-CB 4.02Å; F418-V429 HydrophobicContact CE2-CG1 4.08Å; F418-V429 HydrophobicContact CE2-CG2 4.27Å; F418-V429 HydrophobicContact CZ-CB 4.47Å; F418-R430 HydrophobicContact CZ-CG 4.49Å; F418-I443 HydrophobicContact CD2-CD1 3.6Å; F418-I443 HydrophobicContact CE2-CD1 3.88Å; F418-I453 HydrophobicContact CB-CG2 4.49Å; F418-L455 HydrophobicContact CB-CD2 3.54Å; F418-L455 HydrophobicContact CD1-CD2 4.22Å; F418-L455 HydrophobicContact CD2-CD2 3.77Å; F418-L455 HydrophobicContact CG-CD2 3.59Å
419K97.7Very high97.4Very high169 Ų16956.2 Ų56.274%0.73529%0.294SS*.G310 helixtrans-65.5-18.8176.766.1178.3-178.7179.40114.4A417 L421A417-K419 HydrophobicContact CB-CG 4.11Å; A417-K419 PolarHBondContact O-N 3.11Å; K419-L421 VanDerWaalsContact C-N 3.33Å
420E97.8Very high97.6Very high106 Ų10656.6 Ų56.650%0.49529%0.288SS..G310 helixtrans-83.2-15.1177.6-63.3168.3-169.400111.8A415 R416 A417 F418A415-E420 HydrophobicContact CB-CB 4.1Å; R416-E420 PolarHBondContact N-OE2 2.94Å; A417-E420 HydrophobicContact CB-CG 4.18Å; A417-E420 PolarHBondContact N-OE2 3.09Å; A417-E420 WeakPolarHBondContact O-CB 3.45Å; A417-E420 PolarHBondContact O-N 2.93Å; F418-E420 PolarHBondContact O-N 3.28Å
421L98.4Very high97.7Very high4 Ų454.7 Ų54.72%0.02127%0.274CS..SBendtrans-69.2143.8173.5-61.9176.8000110.3L363 I412 A415 F418 K419 A425 Q426 I443 V445 I453L363-L421 HydrophobicContact CD2-CD1 4.41Å; I412-L421 HydrophobicContact CB-CD2 3.98Å; I412-L421 HydrophobicContact CD1-CD2 4.11Å; I412-L421 HydrophobicContact CG1-CD2 4.48Å; I412-L421 HydrophobicContact CG2-CD2 4.29Å; A415-L421 HydrophobicContact CB-CD2 3.71Å; A415-L421 HydrophobicContact CB-CG 4.49Å; F418-L421 HydrophobicContact CD2-CD1 3.78Å; F418-L421 HydrophobicContact CE2-CD1 4.16Å; F418-L421 WeakPolarHBondContact O-CB 3.27Å; F418-L421 PolarHBondContact O-N 2.9Å; F418-L421 VanDerWaalsContact O-N 3.16Å; K419-L421 VanDerWaalsContact C-N 3.33Å; L421-A425 HydrophobicContact CB-CB 4.23Å; L421-Q426 HydrophobicContact CB-CG 3.88Å; L421-Q426 PolarHBondContact O-NE2 2.77Å; L421-I443 HydrophobicContact CD1-CD1 4.1Å; L421-V445 HydrophobicContact CD2-CG1 4.06Å; L421-I453 HydrophobicContact CD1-CD1 4.12Å; L421-I453 HydrophobicContact CD2-CD1 3.88Å; L421-I453 HydrophobicContact CG-CD1 3.98Å
422P98.2Very high97.8Very high31 Ų3149.6 Ų49.620%0.20125%0.247CC..  trans-53.1146.8169.2-24.833.5000111.6W408 T410 I412 N424 A425 Q426W408-P422 HydrophobicContact CB-CB 3.72Å; W408-P422 HydrophobicContact CB-CG 4.07Å; W408-P422 HydrophobicContact CG-CB 4.34Å; W408-P422 HydrophobicContact CG-CG 4.31Å; T410-P422 HydrophobicContact CG2-CG 3.99Å; I412-P422 VanDerWaalsContact CG2-CD 3.49Å; I412-P422 HydrophobicContact CG2-CG 3.94Å; P422-N424 PolarHBondContact O-N 3.09Å; P422-N424 VanDerWaalsContact O-N 3.13Å; P422-A425 HydrophobicContact CB-CB 4.44Å; P422-A425 WeakPolarHBondContact O-CA 3.46Å; P422-A425 WeakPolarHBondContact O-CB 3.41Å; P422-A425 PolarHBondContact O-N 2.81Å; P422-Q426 PolarHBondContact O-N 3.37Å
423V98.5Very high97.8Very high92 Ų9251.7 Ų51.756%0.55826%0.257SS*.Hα-helixtrans-54.5-38.6-177.3173.70000112A425 Q426 N427V423-A425 PolarHBondContact O-N 2.99Å; V423-Q426 WeakPolarHBondContact O-CB 3.25Å; V423-Q426 PolarHBondContact O-N 3.48Å; V423-N427 WeakPolarHBondContact O-CB 2.98Å; V423-N427 PolarHBondContact O-N 3.09Å; V423-N427 PolarHBondContact O-ND2 2.93Å
424N98.7Very high98Very high57 Ų5755.2 Ų55.231%0.30527%0.273SS..Hα-helixtrans-67.2-35.5177.7-68.4-10.2000112.6G407 W408 P422 N427 Y428G407-N424 PolarHBondContact O-ND2 2.75Å; W408-N424 HydrophobicContact CB-CB 4.07Å; W408-N424 HydrophobicContact CE3-CB 4.47Å; P422-N424 PolarHBondContact O-N 3.09Å; P422-N424 VanDerWaalsContact O-N 3.13Å; N424-N427 PolarHBondContact O-N 2.93Å; N424-Y428 PolarHBondContact O-N 3.49Å
425A98.7Very high98.2Very high0 Ų052.6 Ų52.60%026%0.256CS..Hα-helixtrans-67.8-41.5172.900000111.4W408 L421 P422 V423 N427 Y428 V429W408-A425 HydrophobicContact CD2-CB 3.6Å; W408-A425 VanDerWaalsContact CE3-CA 3.46Å; W408-A425 HydrophobicContact CE3-CB 3.71Å; W408-A425 HydrophobicContact CG-CB 4.04Å; W408-A425 HydrophobicContact CH2-CB 4.29Å; W408-A425 HydrophobicContact CZ2-CB 4.19Å; W408-A425 HydrophobicContact CZ3-CB 4.06Å; L421-A425 HydrophobicContact CB-CB 4.23Å; P422-A425 HydrophobicContact CB-CB 4.44Å; P422-A425 WeakPolarHBondContact O-CA 3.46Å; P422-A425 WeakPolarHBondContact O-CB 3.41Å; P422-A425 PolarHBondContact O-N 2.81Å; V423-A425 PolarHBondContact O-N 2.99Å; A425-N427 VanDerWaalsContact C-N 3.32Å; A425-N427 PolarHBondContact O-N 3.36Å; A425-Y428 WeakPolarHBondContact O-CB 3.36Å; A425-Y428 PolarHBondContact O-N 3.26Å; A425-V429 WeakPolarHBondContact O-CG2 3.22Å; A425-V429 PolarHBondContact O-N 3.46Å; A425-V429 VanDerWaalsContact O-N 3.15Å
426Q98.7Very high98.2Very high27 Ų2752.8 Ų52.813%0.12626%0.256CS..Hα-helixtrans-60.4-43.1173.2-63.9-17936.900111.6F418 L421 P422 V423 Y428 V429 R430F418-Q426 HydrophobicContact CD1-CG 4.32Å; F418-Q426 HydrophobicContact CE1-CB 3.97Å; F418-Q426 HydrophobicContact CE1-CG 3.88Å; F418-Q426 HydrophobicContact CE2-CB 4.22Å; F418-Q426 HydrophobicContact CE2-CG 4.14Å; F418-Q426 HydrophobicContact CZ-CB 3.61Å; F418-Q426 HydrophobicContact CZ-CG 3.79Å; F418-Q426 PolarHBondContact O-NE2 3.09Å; L421-Q426 HydrophobicContact CB-CG 3.88Å; L421-Q426 PolarHBondContact O-NE2 2.77Å; P422-Q426 PolarHBondContact O-N 3.37Å; V423-Q426 WeakPolarHBondContact O-CB 3.25Å; V423-Q426 PolarHBondContact O-N 3.48Å; Q426-Y428 VanDerWaalsContact C-N 3.32Å; Q426-Y428 PolarHBondContact O-N 2.84Å; Q426-V429 PolarHBondContact O-N 3.28Å; Q426-R430 WeakPolarHBondContact O-CG 3.36Å; Q426-R430 PolarHBondContact O-N 2.84Å
427N98.7Very high98.3Very high74 Ų7455.2 Ų55.240%0.39627%0.272SS..Hα-helixtrans-66.7-33.7178.2-69.5-16.9000112V423 N424 A425 F431V423-N427 WeakPolarHBondContact O-CB 2.98Å; V423-N427 PolarHBondContact O-N 3.09Å; V423-N427 PolarHBondContact O-ND2 2.93Å; N424-N427 PolarHBondContact O-N 2.93Å; A425-N427 VanDerWaalsContact C-N 3.32Å; A425-N427 PolarHBondContact O-N 3.36Å; N427-F431 WeakPolarHBondContact O-CB 3.29Å; N427-F431 PolarHBondContact O-N 3.44Å
428Y98.9Very high98.4Very high3 Ų354 Ų541%0.01226%0.261CS..Hα-helixtrans-61-46.2172.3-172.8-98.8000111.7A299 L341 L363 L366 I372 V374 L405 W408 N424 A425 Q426 F431 I432A299-Y428 HydrophobicContact CB-CE1 4.39Å; A299-Y428 PolarHBondContact O-OH 2.87Å; L341-Y428 WeakPolarHBondContact CB-OH 3.31Å; L341-Y428 HydrophobicContact CD2-CE1 4.45Å; L341-Y428 WeakPolarHBondContact CD2-OH 3.29Å; L363-Y428 HydrophobicContact CD1-CD1 3.82Å; L363-Y428 HydrophobicContact CD1-CE1 4.15Å; L366-Y428 HydrophobicContact CD1-CE1 3.97Å; I372-Y428 HydrophobicContact CB-CE2 4.47Å; I372-Y428 HydrophobicContact CG2-CD2 4.25Å; I372-Y428 HydrophobicContact CG2-CE2 3.57Å; V374-Y428 HydrophobicContact CG2-CD2 4.48Å; V374-Y428 HydrophobicContact CG2-CE2 3.54Å; L405-Y428 HydrophobicContact CD1-CD2 3.65Å; L405-Y428 HydrophobicContact CD1-CE2 4.15Å; W408-Y428 HydrophobicContact CH2-CD1 4.47Å; W408-Y428 HydrophobicContact CH2-CG 4.42Å; W408-Y428 HydrophobicContact CZ3-CG 4.13Å; N424-Y428 PolarHBondContact O-N 3.49Å; A425-Y428 WeakPolarHBondContact O-CB 3.36Å; A425-Y428 PolarHBondContact O-N 3.26Å; Q426-Y428 VanDerWaalsContact C-N 3.32Å; Q426-Y428 PolarHBondContact O-N 2.84Å; Y428-F431 PolarHBondContact O-N 2.96Å; Y428-I432 HydrophobicContact CD1-CD1 3.8Å; Y428-I432 HydrophobicContact CE1-CD1 3.48Å; Y428-I432 VanDerWaalsContact CE1-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.44Å; Y428-I432 PolarHBondContact O-N 3.38Å
429V98.8Very high98.4Very high0 Ų054.9 Ų54.90%027%0.27CS..Hα-helixtrans-62.8-50176.8177.30000111.1L360 L363 F418 A425 Q426 F431 I432 E433 V440 I443L360-V429 HydrophobicContact CD2-CG2 3.93Å; L363-V429 HydrophobicContact CD2-CG2 4.22Å; F418-V429 HydrophobicContact CE2-CB 4.02Å; F418-V429 HydrophobicContact CE2-CG1 4.08Å; F418-V429 HydrophobicContact CE2-CG2 4.27Å; F418-V429 HydrophobicContact CZ-CB 4.47Å; A425-V429 WeakPolarHBondContact O-CG2 3.22Å; A425-V429 PolarHBondContact O-N 3.46Å; A425-V429 VanDerWaalsContact O-N 3.15Å; Q426-V429 PolarHBondContact O-N 3.28Å; V429-F431 VanDerWaalsContact C-N 3.3Å; V429-F431 PolarHBondContact O-N 3.15Å; V429-I432 WeakPolarHBondContact O-CB 3.32Å; V429-I432 PolarHBondContact O-N 2.93Å; V429-I432 VanDerWaalsContact O-N 3.11Å; V429-E433 PolarHBondContact O-N 3.25Å; V429-V440 HydrophobicContact CG1-CB 4Å; V429-V440 HydrophobicContact CG1-CG1 4.12Å; V429-V440 HydrophobicContact CG1-CG2 4.07Å; V429-I443 HydrophobicContact CG1-CD1 4.11Å; V429-I443 HydrophobicContact CG2-CD1 3.93Å; V429-I443 HydrophobicContact CG2-CG1 4.46Å
430R98.7Very high98.5Very high104 Ų10446.8 Ų46.839%0.39224%0.235SC..Hα-helixtrans-60.6-39.8178.6-71.5175.7-179.11390.9112.2F418 Q426 I432 E433 D434F418-R430 HydrophobicContact CZ-CG 4.49Å; Q426-R430 WeakPolarHBondContact O-CG 3.36Å; Q426-R430 PolarHBondContact O-N 2.84Å; R430-I432 VanDerWaalsContact C-N 3.27Å; R430-I432 PolarHBondContact O-N 3.18Å; R430-E433 PolarHBondContact O-N 2.74Å; R430-E433 VanDerWaalsContact O-N 3.15Å; R430-D434 WeakPolarHBondContact O-CB 3.39Å; R430-D434 VanDerWaalsContact O-CG 3.22Å; R430-D434 PolarHBondContact O-N 2.85Å
431F98.8Very high98.5Very high30 Ų3043.2 Ų43.213%0.13222%0.218CC..Hα-helixtrans-59.3-39.7175.9177.1-100.9000111.9L343 V374 V376 K403 L405 N427 Y428 V429 E435L343-F431 HydrophobicContact CD1-CD1 4.48Å; L343-F431 HydrophobicContact CD1-CE1 3.84Å; L343-F431 HydrophobicContact CD1-CZ 4.46Å; V374-F431 HydrophobicContact CB-CE1 4.11Å; V374-F431 HydrophobicContact CG1-CE1 4.01Å; V374-F431 HydrophobicContact CG2-CE1 4.39Å; V376-F431 HydrophobicContact CG1-CE1 4.28Å; V376-F431 HydrophobicContact CG1-CZ 3.9Å; K403-F431 HydrophobicContact CB-CZ 3.89Å; K403-F431 HydrophobicContact CG-CE2 4.04Å; K403-F431 HydrophobicContact CG-CZ 3.76Å; L405-F431 HydrophobicContact CD1-CB 4.16Å; L405-F431 HydrophobicContact CD1-CD1 3.58Å; L405-F431 HydrophobicContact CD1-CE1 4.1Å; L405-F431 HydrophobicContact CD1-CG 3.85Å; L405-F431 HydrophobicContact CD2-CD2 4.36Å; L405-F431 HydrophobicContact CD2-CG 4.36Å; N427-F431 WeakPolarHBondContact O-CB 3.29Å; N427-F431 PolarHBondContact O-N 3.44Å; Y428-F431 PolarHBondContact O-N 2.96Å; V429-F431 VanDerWaalsContact C-N 3.3Å; V429-F431 PolarHBondContact O-N 3.15Å; F431-E435 HydrophobicContact CD1-CG 4.44Å; F431-E435 HydrophobicContact CD2-CG 4.28Å; F431-E435 HydrophobicContact CE1-CG 4.01Å; F431-E435 HydrophobicContact CE2-CG 3.8Å; F431-E435 HydrophobicContact CZ-CG 3.66Å; F431-E435 VanDerWaalsContact O-CB 3.31Å; F431-E435 WeakPolarHBondContact O-CB 3.49Å; F431-E435 WeakPolarHBondContact O-CG 3.35Å; F431-E435 PolarHBondContact O-N 3.36Å
432I98.8Very high98.5Very high1 Ų143.2 Ų43.21%0.00522%0.218CC..Hα-helixtrans-65.9-45.7174.4-65164.8000110.7L341 L343 L358 L360 Y428 V429 R430 D434 E435 L436L341-I432 HydrophobicContact CD2-CD1 3.45Å; L341-I432 VanDerWaalsContact CD2-CD1 3.45Å; L341-I432 HydrophobicContact CD2-CG1 3.69Å; L343-I432 HydrophobicContact CD2-CG1 4.42Å; L343-I432 HydrophobicContact CD2-CG2 4.49Å; L358-I432 HydrophobicContact CD1-CG2 4.4Å; L360-I432 HydrophobicContact CD1-CD1 4.05Å; L360-I432 HydrophobicContact CD2-CD1 3.97Å; Y428-I432 HydrophobicContact CD1-CD1 3.8Å; Y428-I432 HydrophobicContact CE1-CD1 3.48Å; Y428-I432 VanDerWaalsContact CE1-CD1 3.48Å; Y428-I432 WeakPolarHBondContact O-CG1 3.44Å; Y428-I432 PolarHBondContact O-N 3.38Å; V429-I432 WeakPolarHBondContact O-CB 3.32Å; V429-I432 PolarHBondContact O-N 2.93Å; V429-I432 VanDerWaalsContact O-N 3.11Å; R430-I432 VanDerWaalsContact C-N 3.27Å; R430-I432 PolarHBondContact O-N 3.18Å; I432-D434 PolarHBondContact O-N 3.16Å; I432-E435 PolarHBondContact O-N 3.46Å; I432-L436 HydrophobicContact CG2-CD1 3.64Å; I432-L436 HydrophobicContact CG2-CG 4.28Å; I432-L436 VanDerWaalsContact O-CB 3.32Å; I432-L436 WeakPolarHBondContact O-CB 3.16Å; I432-L436 VanDerWaalsContact O-CG 3.29Å; I432-L436 WeakPolarHBondContact O-CG 3.41Å; I432-L436 PolarHBondContact O-N 2.83Å
433E98.7Very high98.5Very high49 Ų4941.7 Ų41.723%0.22921%0.208CC..Hα-helixtrans-59-46.2177.1-67.5-177.1124.700111.6V429 R430 L436 Q437 I438 P439 V440V429-E433 PolarHBondContact O-N 3.25Å; R430-E433 PolarHBondContact O-N 2.74Å; R430-E433 VanDerWaalsContact O-N 3.15Å; E433-L436 PolarHBondContact O-N 2.99Å; E433-Q437 WeakPolarHBondContact O-CA 3.45Å; E433-Q437 PolarHBondContact O-N 3.01Å; E433-I438 WeakPolarHBondContact CA-O 3.48Å; E433-I438 PolarHBondContact O-N 3.5Å; E433-P439 WeakPolarHBondContact OE1-CA 3.43Å; E433-V440 HydrophobicContact CG-CB 4.08Å; E433-V440 HydrophobicContact CG-CG2 3.66Å; E433-V440 PolarHBondContact OE1-N 2.92Å
434D98.5Very high98.4Very high110 Ų11037.4 Ų37.459%0.58818%0.182SC*.Hα-helixtrans-66-42.3-179.5-70-24.2000111.6R430 I432 Q437R430-D434 WeakPolarHBondContact O-CB 3.39Å; R430-D434 VanDerWaalsContact O-CG 3.22Å; R430-D434 PolarHBondContact O-N 2.85Å; I432-D434 PolarHBondContact O-N 3.16Å; D434-Q437 PolarHBondContact O-NE2 3.49Å
435E98.1Very high98.3Very high69 Ų6934.7 Ų34.732%0.32217%0.168SC..Hα-helixtrans-71.4-35.1179.3-80.7-68.2147.500112.9L343 K347 F431 I432L343-E435 HydrophobicContact CD1-CB 3.47Å; L343-E435 VanDerWaalsContact CD1-CB 3.47Å; L343-E435 HydrophobicContact CD1-CG 3.63Å; K347-E435 WeakPolarHBondContact CE-O 3.45Å; K347-E435 PolarHBondContact NZ-O 2.85Å; K347-E435 IonicContact NZ-OE2 3.69Å; K347-E435 PolarHBondContact NZ-OE2 2.98Å; F431-E435 HydrophobicContact CD1-CG 4.44Å; F431-E435 HydrophobicContact CD2-CG 4.28Å; F431-E435 HydrophobicContact CE1-CG 4.01Å; F431-E435 HydrophobicContact CE2-CG 3.8Å; F431-E435 HydrophobicContact CZ-CG 3.66Å; F431-E435 VanDerWaalsContact O-CB 3.31Å; F431-E435 WeakPolarHBondContact O-CB 3.49Å; F431-E435 WeakPolarHBondContact O-CG 3.35Å; F431-E435 PolarHBondContact O-N 3.36Å; I432-E435 PolarHBondContact O-N 3.46Å
436L97.8Very high97.9Very high12 Ų1235.4 Ų35.46%0.06318%0.175CC..Hα-helixtrans-91.4-21.4-177.4-61.3-177.9000113.2L343 L346 K347 L358 I432 E433 I438L343-L436 HydrophobicContact CB-CD2 4.32Å; L343-L436 HydrophobicContact CD2-CD1 4.49Å; L343-L436 HydrophobicContact CD2-CD2 4.35Å; L343-L436 HydrophobicContact CD2-CG 4.44Å; L346-L436 HydrophobicContact CB-CD1 3.97Å; L346-L436 HydrophobicContact CB-CD2 3.89Å; L346-L436 HydrophobicContact CD1-CD1 3.93Å; K347-L436 HydrophobicContact CD-CD2 4.5Å; K347-L436 HydrophobicContact CG-CD2 3.56Å; L358-L436 HydrophobicContact CD1-CD1 3.59Å; I432-L436 HydrophobicContact CG2-CD1 3.64Å; I432-L436 HydrophobicContact CG2-CG 4.28Å; I432-L436 VanDerWaalsContact O-CB 3.32Å; I432-L436 WeakPolarHBondContact O-CB 3.16Å; I432-L436 VanDerWaalsContact O-CG 3.29Å; I432-L436 WeakPolarHBondContact O-CG 3.41Å; I432-L436 PolarHBondContact O-N 2.83Å; E433-L436 PolarHBondContact O-N 2.99Å; L436-I438 HydrophobicContact CB-CB 4.32Å; L436-I438 HydrophobicContact CB-CD1 3.89Å; L436-I438 HydrophobicContact CB-CG1 4.02Å; L436-I438 HydrophobicContact CD1-CD1 4.48Å; L436-I438 WeakPolarHBondContact O-CG1 3.26Å; L436-I438 PolarHBondContact O-N 3.26Å
437Q98.2Very high97.1Very high157 Ų15741 Ų4173%0.73420%0.199SC*.THydrogen-bonded Turntrans56.936.5-167.7-59.9-68.7-62.400112.3E433 D434E433-Q437 WeakPolarHBondContact O-CA 3.45Å; E433-Q437 PolarHBondContact O-N 3.01Å; D434-Q437 PolarHBondContact O-NE2 3.49Å
438I98.4Very high96.2Very high4 Ų440 Ų402%0.02120%0.197CC..  trans-129.8127.8179.2-49.6163.3000108H350 F355 L358 E433 L436H350-I438 HydrophobicContact CB-CD1 3.69Å; H350-I438 WeakPolarHBondContact ND1-CD1 3.32Å; F355-I438 HydrophobicContact CB-CD1 4.48Å; F355-I438 HydrophobicContact CB-CG2 4.3Å; F355-I438 HydrophobicContact CD2-CD1 4.43Å; L358-I438 HydrophobicContact CD1-CB 4.25Å; L358-I438 HydrophobicContact CD1-CD1 4.42Å; L358-I438 HydrophobicContact CD1-CG2 4.33Å; L358-I438 HydrophobicContact CD2-CD1 4.33Å; L358-I438 HydrophobicContact CD2-CG2 4.14Å; L358-I438 HydrophobicContact CG-CB 4.22Å; L358-I438 HydrophobicContact CG-CG2 3.75Å; E433-I438 WeakPolarHBondContact CA-O 3.48Å; E433-I438 PolarHBondContact O-N 3.5Å; L436-I438 HydrophobicContact CB-CB 4.32Å; L436-I438 HydrophobicContact CB-CD1 3.89Å; L436-I438 HydrophobicContact CB-CG1 4.02Å; L436-I438 HydrophobicContact CD1-CD1 4.48Å; L436-I438 WeakPolarHBondContact O-CG1 3.26Å; L436-I438 PolarHBondContact O-N 3.26Å
439P98.6Very high95.2Very high53 Ų5343.3 Ų43.334%0.34421%0.21SC..  trans-68.6142.8177.929.2-35.3000111.4T356 A357 L358 E433 F456T356-P439 WeakPolarHBondContact O-CD 3.47Å; T356-P439 WeakPolarHBondContact O-CG 3.49Å; A357-P439 CarbonylContact C-O 3.54Å; A357-P439 WeakPolarHBondContact CA-O 3.36Å; A357-P439 HydrophobicContact CB-CG 4.15Å; A357-P439 WeakPolarHBondContact CB-O 3.41Å; L358-P439 PolarHBondContact N-O 3.41Å; E433-P439 WeakPolarHBondContact OE1-CA 3.43Å; P439-F456 HydrophobicContact CB-CE1 3.97Å; P439-F456 HydrophobicContact CB-CZ 3.88Å; P439-F456 HydrophobicContact CG-CZ 4.1Å
440V98.8Very high94.4Very high0 Ų050 Ų500%024%0.241CC..EExtended strand (participates in β ladder)trans-88122.6168.2174.60000107.3L358 L360 V429 E433 W442 I443 L455 F456L358-V440 HydrophobicContact CB-CG2 4.21Å; L360-V440 HydrophobicContact CB-CG1 4.05Å; V429-V440 HydrophobicContact CG1-CB 4Å; V429-V440 HydrophobicContact CG1-CG1 4.12Å; V429-V440 HydrophobicContact CG1-CG2 4.07Å; E433-V440 HydrophobicContact CG-CB 4.08Å; E433-V440 HydrophobicContact CG-CG2 3.66Å; E433-V440 PolarHBondContact OE1-N 2.92Å; V440-W442 WeakPolarHBondContact CG1-O 3.44Å; V440-I443 HydrophobicContact CG1-CG1 3.82Å; V440-L455 HydrophobicContact CB-CD1 4.3Å; V440-L455 HydrophobicContact CG1-CD1 4.06Å; V440-L455 WeakPolarHBondContact O-CD1 3.33Å; V440-F456 WeakPolarHBondContact O-CE1 3.12Å
441K98.3Very high94Very high30 Ų3045.7 Ų45.713%0.1323%0.227CC..EExtended strand (participates in β ladder)trans-97-36179.9-175.7166.9177.4168.50112.7Y294 A357 L358 L455 F456Y294-K441 HydrophobicContact CE1-CD 3.85Å; Y294-K441 PolarHBondContact OH-NZ 2.73Å; A357-K441 HydrophobicContact CB-CB 3.81Å; L358-K441 PolarHBondContact O-N 2.84Å; K441-L455 PolarHBondContact O-N 3.4Å; K441-F456 HydrophobicContact CB-CE1 3.95Å; K441-F456 HydrophobicContact CB-CE2 4.13Å; K441-F456 HydrophobicContact CB-CZ 3.66Å; K441-F456 HydrophobicContact CD-CD2 4.16Å; K441-F456 HydrophobicContact CD-CE2 3.74Å; K441-F456 HydrophobicContact CD-CZ 4.16Å; K441-F456 WeakPolarHBondContact CE-O 3.3Å; K441-F456 HydrophobicContact CG-CD2 4.21Å; K441-F456 HydrophobicContact CG-CE1 4.27Å; K441-F456 HydrophobicContact CG-CE2 3.92Å; K441-F456 HydrophobicContact CG-CZ 3.95Å
442W98.1Very high93.7Very high4 Ų445.3 Ų45.32%0.01523%0.226CC..EExtended strand (participates in β ladder)trans-129.5142.6179.7-61.1-80.3000112L49 L50 Y294 L358 A359 L360 V440 M452 I453L49-W442 HydrophobicContact CD2-CZ2 4.12Å; L50-W442 HydrophobicContact CD1-CH2 4.28Å; L50-W442 HydrophobicContact CD2-CH2 3.97Å; L50-W442 HydrophobicContact CD2-CZ2 3.92Å; Y294-W442 HydrophobicContact CD1-CH2 4.19Å; Y294-W442 AromaticContact CD1-CZ3 3.65Å; Y294-W442 HydrophobicContact CD1-CZ3 3.65Å; Y294-W442 AromaticContact CD2-CH2 3.9Å; Y294-W442 HydrophobicContact CD2-CH2 3.9Å; Y294-W442 AromaticContact CD2-CZ3 3.87Å; Y294-W442 HydrophobicContact CD2-CZ3 3.87Å; Y294-W442 AromaticContact CE1-CH2 3.94Å; Y294-W442 HydrophobicContact CE1-CH2 3.94Å; Y294-W442 AromaticContact CE1-CZ3 3.81Å; Y294-W442 HydrophobicContact CE1-CZ3 3.81Å; Y294-W442 AromaticContact CE2-CH2 3.64Å; Y294-W442 HydrophobicContact CE2-CH2 3.64Å; Y294-W442 HydrophobicContact CE2-CZ3 4.03Å; Y294-W442 HydrophobicContact CG-CH2 4.16Å; Y294-W442 AromaticContact CG-CZ3 3.67Å; Y294-W442 HydrophobicContact CG-CZ3 3.67Å; Y294-W442 AromaticContact CZ-CH2 3.66Å; L358-W442 PolarHBondContact O-N 2.8Å; A359-W442 CarbonylContact C-O 3.47Å; A359-W442 WeakPolarHBondContact CA-O 3.37Å; A359-W442 HydrophobicContact CB-CB 4.17Å; A359-W442 HydrophobicContact CB-CE3 4.03Å; L360-W442 PolarHBondContact N-O 3.19Å; V440-W442 WeakPolarHBondContact CG1-O 3.44Å; W442-M452 HydrophobicContact CB-CE 3.77Å; W442-M452 HydrophobicContact CB-CG 4.11Å; W442-M452 HydrophobicContact CB-SD 4.06Å; W442-M452 HydrophobicContact CG-CE 4.35Å; W442-M452 HydrophobicContact CG-CG 4.42Å; W442-I453 CarbonylContact C-O 3.47Å; W442-I453 VanDerWaalsContact CA-O 3.27Å; W442-I453 WeakPolarHBondContact CA-O 3.49Å
443I98.4Very high93.6Very high0 Ų045.3 Ų45.30%023%0.226CC..EExtended strand (participates in β ladder)trans-125.4116.8175-55.9163.7000109.3L360 L363 F418 L421 V429 V440 V445 M452 I453 L455L360-I443 CarbonylContact O-C 3.53Å; L360-I443 VanDerWaalsContact O-CA 3.27Å; L360-I443 WeakPolarHBondContact O-CA 3.39Å; L363-I443 HydrophobicContact CB-CG2 4.1Å; L363-I443 HydrophobicContact CD2-CG2 3.51Å; L363-I443 HydrophobicContact CG-CG2 4.44Å; F418-I443 HydrophobicContact CD2-CD1 3.6Å; F418-I443 HydrophobicContact CE2-CD1 3.88Å; L421-I443 HydrophobicContact CD1-CD1 4.1Å; V429-I443 HydrophobicContact CG1-CD1 4.11Å; V429-I443 HydrophobicContact CG2-CD1 3.93Å; V429-I443 HydrophobicContact CG2-CG1 4.46Å; V440-I443 HydrophobicContact CG1-CG1 3.82Å; I443-V445 HydrophobicContact CG2-CG1 4.1Å; I443-M452 WeakPolarHBondContact O-CA 3.32Å; I443-I453 HydrophobicContact CB-CB 4.28Å; I443-I453 PolarHBondContact N-O 2.88Å; I443-I453 PolarHBondContact O-N 3.37Å; I443-L455 HydrophobicContact CD1-CD1 3.82Å; I443-L455 HydrophobicContact CD1-CG 4.48Å; I443-L455 HydrophobicContact CG1-CD1 4.16Å
444G96.4Very high93.4Very high1 Ų148.1 Ų48.11%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-83.4115.5173.400000111.1L360 K362 L363 M452L360-G444 PolarHBondContact O-N 2.95Å; K362-G444 PolarHBondContact N-O 2.95Å; L363-G444 WeakPolarHBondContact CB-O 3.46Å; L363-G444 PolarHBondContact N-O 2.84Å; G444-M452 VanDerWaalsContact CA-SD 3.58Å
445V96.4Very high93.3Very high0 Ų045.9 Ų45.90%023%0.227CC..  trans-108.718.5177.8-59.60000112.1D364 I412 S413 A415 L421 I443 S451 I453D364-V445 WeakPolarHBondContact CB-O 3.24Å; I412-V445 HydrophobicContact CD1-CB 4.36Å; I412-V445 HydrophobicContact CD1-CG1 3.94Å; I412-V445 HydrophobicContact CG1-CB 4.1Å; I412-V445 HydrophobicContact CG1-CG1 4.13Å; S413-V445 VanDerWaalsContact CA-O 3.26Å; S413-V445 WeakPolarHBondContact CA-O 2.96Å; A415-V445 WeakPolarHBondContact O-CG2 3.32Å; L421-V445 HydrophobicContact CD2-CG1 4.06Å; I443-V445 HydrophobicContact CG2-CG1 4.1Å; V445-S451 PolarHBondContact N-O 3.16Å; V445-I453 HydrophobicContact CG1-CD1 3.82Å; V445-I453 HydrophobicContact CG1-CG1 4.34Å
446G90.8Very high93.1Very high15 Ų1549 Ų4916%0.15524%0.24CC..SBendtrans166.5-175.7179.900000112.4K45 D364K45-G446 PolarHBondContact NZ-O 3.13Å; D364-G446 PolarHBondContact OD1-N 2.72Å
447K80.6Confident92.8Very high145 Ų14550.9 Ų50.963%0.6325%0.248SC*.SBendtrans-78.3-41.5-173.4-66.8-171.5178.3-171.10114.4
448S80.1Confident92.6Very high52 Ų5245.3 Ų45.336%0.36422%0.223SC..SBendtrans-62.1149.5-177.2176.80000111K45 E450 S451K45-S448 VanDerWaalsContact CE-O 3.25Å; K45-S448 WeakPolarHBondContact CE-O 3.37Å; K45-S448 PolarHBondContact NZ-O 3.37Å; S448-E450 PolarHBondContact O-N 3.3Å; S448-E450 PolarHBondContact OG-N 2.98Å; S448-S451 WeakPolarHBondContact O-CB 3.43Å; S448-S451 PolarHBondContact O-N 2.93Å
449R77.8Confident92.2Very high73 Ų7347.6 Ų47.628%0.27523%0.234SC..THydrogen-bonded Turntrans-52.4-38.1168.5175.1177.256.2-147.56.1111.4D48 Q52 S451 M452D48-R449 IonicContact OD1-NH1 2.65Å; D48-R449 VanDerWaalsContact OD2-CD 3.31Å; D48-R449 WeakPolarHBondContact OD2-CD 3.46Å; D48-R449 IonicContact OD2-CZ 3.72Å; D48-R449 IonicContact OD2-NE 3.15Å; D48-R449 IonicContact OD2-NH1 3.96Å; D48-R449 PolarHBondContact OD2-NH1 3.13Å; Q52-R449 VanDerWaalsContact NE2-NH1 3.12Å; R449-S451 PolarHBondContact O-N 3.04Å; R449-M452 VanDerWaalsContact O-CB 3.31Å; R449-M452 WeakPolarHBondContact O-CB 3.49Å; R449-M452 PolarHBondContact O-N 3.26Å
450E83.5Confident91.9Very high141 Ų14147.2 Ų47.266%0.65923%0.228SC*.THydrogen-bonded Turntrans-68.1-19.1179.3-61.3179.7173.300113.2R416 S448 M452R416-E450 VanDerWaalsContact CD-O 3.29Å; R416-E450 WeakPolarHBondContact CD-O 3.38Å; R416-E450 PolarHBondContact NE-O 2.8Å; R416-E450 VanDerWaalsContact NE-O 3.1Å; S448-E450 PolarHBondContact O-N 3.3Å; S448-E450 PolarHBondContact OG-N 2.98Å; E450-M452 PolarHBondContact O-N 2.71Å; E450-M452 VanDerWaalsContact O-N 3.08Å
451S89Confident91.4Very high14 Ų1450.2 Ų50.210%0.09824%0.242CC..SBendtrans-84.545.7173.5-510000111K45 V445 S448 R449K45-S451 PolarHBondContact NZ-O 3.48Å; V445-S451 PolarHBondContact N-O 3.16Å; S448-S451 WeakPolarHBondContact O-CB 3.43Å; S448-S451 PolarHBondContact O-N 2.93Å; R449-S451 PolarHBondContact O-N 3.04Å
452M92.5Very high91Very high21 Ų2151.5 Ų51.510%0.10325%0.249CC..EExtended strand (participates in β ladder)trans-129.3113.2178.3-163.271.6133.100108.9K45 V46 W442 I443 G444 R449 E450K45-M452 HydrophobicContact CG-CE 4.37Å; V46-M452 HydrophobicContact CG2-CE 3.65Å; W442-M452 HydrophobicContact CB-CE 3.77Å; W442-M452 HydrophobicContact CB-CG 4.11Å; W442-M452 HydrophobicContact CB-SD 4.06Å; W442-M452 HydrophobicContact CG-CE 4.35Å; W442-M452 HydrophobicContact CG-CG 4.42Å; I443-M452 WeakPolarHBondContact O-CA 3.32Å; G444-M452 VanDerWaalsContact CA-SD 3.58Å; R449-M452 VanDerWaalsContact O-CB 3.31Å; R449-M452 WeakPolarHBondContact O-CB 3.49Å; R449-M452 PolarHBondContact O-N 3.26Å; E450-M452 PolarHBondContact O-N 2.71Å; E450-M452 VanDerWaalsContact O-N 3.08Å
453I96.1Very high90.5Very high1 Ų154.9 Ų54.91%0.00527%0.266CS..EExtended strand (participates in β ladder)trans-83.2126.5174.1-58.1174.8000107.4A415 F418 L421 W442 I443 V445A415-I453 HydrophobicContact CB-CD1 4.04Å; F418-I453 HydrophobicContact CB-CG2 4.49Å; L421-I453 HydrophobicContact CD1-CD1 4.12Å; L421-I453 HydrophobicContact CD2-CD1 3.88Å; L421-I453 HydrophobicContact CG-CD1 3.98Å; W442-I453 CarbonylContact C-O 3.47Å; W442-I453 VanDerWaalsContact CA-O 3.27Å; W442-I453 WeakPolarHBondContact CA-O 3.49Å; I443-I453 HydrophobicContact CB-CB 4.28Å; I443-I453 PolarHBondContact N-O 2.88Å; I443-I453 PolarHBondContact O-N 3.37Å; V445-I453 HydrophobicContact CG1-CD1 3.82Å; V445-I453 HydrophobicContact CG1-CG1 4.34Å
454Q95.5Very high89.9Confident109 Ų10959.2 Ų59.251%0.50929%0.287SS..EExtended strand (participates in β ladder)trans-101.6130.7171-177.2174.1-12.300109.8F456Q454-F456 WeakPolarHBondContact CG-O 3.36Å; Q454-F456 PolarHBondContact NE2-O 2.93Å
455L95.5Very high89.3Confident62 Ų6264 Ų6433%0.32531%0.31SS..  trans-91.4-36.7-176.4-77.6157000113.1F418 V440 K441 I443F418-L455 HydrophobicContact CB-CD2 3.54Å; F418-L455 HydrophobicContact CD1-CD2 4.22Å; F418-L455 HydrophobicContact CD2-CD2 3.77Å; F418-L455 HydrophobicContact CG-CD2 3.59Å; V440-L455 HydrophobicContact CB-CD1 4.3Å; V440-L455 HydrophobicContact CG1-CD1 4.06Å; V440-L455 WeakPolarHBondContact O-CD1 3.33Å; K441-L455 PolarHBondContact O-N 3.4Å; I443-L455 HydrophobicContact CD1-CD1 3.82Å; I443-L455 HydrophobicContact CD1-CG 4.48Å; I443-L455 HydrophobicContact CG1-CD1 4.16Å
456F94.3Very high88.7Confident135 Ų13569.8 Ų69.859%0.59234%0.338SS*.  trans-1550179.658.1-90.9000112.8A357 P439 V440 K441 Q454A357-F456 HydrophobicContact CB-CZ 4.11Å; P439-F456 HydrophobicContact CB-CE1 3.97Å; P439-F456 HydrophobicContact CB-CZ 3.88Å; P439-F456 HydrophobicContact CG-CZ 4.1Å; V440-F456 WeakPolarHBondContact O-CE1 3.12Å; K441-F456 HydrophobicContact CB-CE1 3.95Å; K441-F456 HydrophobicContact CB-CE2 4.13Å; K441-F456 HydrophobicContact CB-CZ 3.66Å; K441-F456 HydrophobicContact CD-CD2 4.16Å; K441-F456 HydrophobicContact CD-CE2 3.74Å; K441-F456 HydrophobicContact CD-CZ 4.16Å; K441-F456 WeakPolarHBondContact CE-O 3.3Å; K441-F456 HydrophobicContact CG-CD2 4.21Å; K441-F456 HydrophobicContact CG-CE1 4.27Å; K441-F456 HydrophobicContact CG-CE2 3.92Å; K441-F456 HydrophobicContact CG-CZ 3.95Å; Q454-F456 WeakPolarHBondContact CG-O 3.36Å; Q454-F456 PolarHBondContact NE2-O 2.93Å

Retrieved 456 of 456 residues in 362.6 ms (Link to these results)

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