A0A087WU06_HUMAN Loading...

Tubulin gamma complex component 3

AlphaFold DB , UniProt , Accession A0A087WU06, Species HUMAN (Homo sapiens, Human), Gene TUBGCP3, Length 439 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
1M33.8Very low61Low241 Ų241116.2 Ų116.2100%1.18765%0.647SS**  0106.30-75.8-169.616100107.7T3M1-T3 PolarHBondContact O-N 3.34Å
2A36Very low63.3Low102 Ų102114.5 Ų114.584%0.84364%0.635SS**  trans-72.7116.8177.800000108.2P4A2-P4 VanDerWaalsContact O-CD 3.3Å; A2-P4 WeakPolarHBondContact O-CD 3.33Å
3T37.9Very low65.3Low132 Ų132107.3 Ų107.381%0.8160%0.595SS**  trans-61114168.946.60000107.2M1 D5M1-T3 PolarHBondContact O-N 3.34Å; T3-D5 PolarHBondContact O-N 3.29Å
4P48Very low66.9Low94 Ų94102.9 Ų102.961%0.6157%0.567SS**  trans-60.9128.217925.1-31.4000107.5A2 Q6 V11A2-P4 VanDerWaalsContact O-CD 3.3Å; A2-P4 WeakPolarHBondContact O-CD 3.33Å; P4-Q6 PolarHBondContact O-N 3.31Å; P4-V11 HydrophobicContact CB-CG2 4.35Å
5D49.3Very low68.4Low123 Ų123100.7 Ų100.766%0.65855%0.554SS**  trans-51.5108.5176.7-133.5-31.6000107.5T3 K7 S8T3-D5 PolarHBondContact O-N 3.29Å; D5-K7 PolarHBondContact O-N 3.29Å; D5-S8 PolarHBondContact O-N 2.99Å; D5-S8 PolarHBondContact O-OG 3.17Å
6Q57.1Low69.8Low171 Ų171100.3 Ų100.380%0.79955%0.55SS**THydrogen-bonded Turntrans-59.8-2.7-176.5-77.7-178.9-10.800112.8P4P4-Q6 PolarHBondContact O-N 3.31Å
7K66.1Low70.9Confident179 Ų17995.2 Ų95.278%0.77852%0.524SS*.THydrogen-bonded Turntrans-109.11-178.4-61.3174.5-177.4172.30113.4D5D5-K7 PolarHBondContact O-N 3.29Å
8S84.7Confident72Confident34 Ų3491.2 Ų91.224%0.23850%0.503CS..  trans-69.6139.6178.4750000110.8D5 N10 V11 L12D5-S8 PolarHBondContact O-N 2.99Å; D5-S8 PolarHBondContact O-OG 3.17Å; S8-N10 PolarHBondContact O-N 3.2Å; S8-V11 PolarHBondContact O-N 2.79Å; S8-V11 VanDerWaalsContact O-N 3.16Å; S8-V11 WeakPolarHBondContact OG-CB 3.42Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 2.95Å; S8-L12 PolarHBondContact O-N 2.88Å; S8-L12 VanDerWaalsContact O-N 3.12Å
9P84.5Confident73Confident78 Ų7897.8 Ų97.851%0.50652%0.52SS..Hα-helixtrans-60.6-29.2-177.723.1-33.1000112.4L13P9-L13 VanDerWaalsContact O-CB 3.32Å; P9-L13 WeakPolarHBondContact O-CB 3.21Å; P9-L13 PolarHBondContact O-N 3.45Å
10N85.1Confident73.8Confident91 Ų9199.2 Ų99.249%0.48753%0.526SS..Hα-helixtrans-70.4-41.4177.8-65.8-29000112.3S8 L13 Q14 F32S8-N10 PolarHBondContact O-N 3.2Å; N10-L13 WeakPolarHBondContact O-CB 3.37Å; N10-L13 PolarHBondContact O-N 3.21Å; N10-Q14 PolarHBondContact O-N 2.85Å; N10-F32 HydrophobicContact CB-CZ 4.47Å; N10-F32 VanDerWaalsContact O-CE2 3.29Å; N10-F32 WeakPolarHBondContact O-CE2 3.18Å
11V88.1Confident74.5Confident33 Ų3398.2 Ų98.220%0.252%0.521CS..Hα-helixtrans-66.8-39.7175.6172.20000110.6P4 S8 L13 Q14 N15P4-V11 HydrophobicContact CB-CG2 4.35Å; S8-V11 PolarHBondContact O-N 2.79Å; S8-V11 VanDerWaalsContact O-N 3.16Å; S8-V11 WeakPolarHBondContact OG-CB 3.42Å; S8-V11 WeakPolarHBondContact OG-CG2 3.3Å; S8-V11 PolarHBondContact OG-N 2.95Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.76Å; V11-Q14 PolarHBondContact O-N 2.94Å; V11-N15 PolarHBondContact O-N 2.86Å; V11-N15 PolarHBondContact O-ND2 2.69Å
12L89.5Confident77.2Confident96 Ų9690.1 Ų90.150%0.50350%0.499SS..Hα-helixtrans-63.9-36.5174.5-66.9175.6000112.5S8 N15 L16S8-L12 PolarHBondContact O-N 2.88Å; S8-L12 VanDerWaalsContact O-N 3.12Å; L12-N15 PolarHBondContact O-N 3.39Å; L12-L16 PolarHBondContact O-N 3.45Å
13L89.4Confident79.7Confident21 Ų2193 Ų9311%0.1149%0.488CS..Hα-helixtrans-67.7-41.1176.4-168.977.5000111.9P9 N10 V11 N15 L16 C17 F32 A35 V36 I39P9-L13 VanDerWaalsContact O-CB 3.32Å; P9-L13 WeakPolarHBondContact O-CB 3.21Å; P9-L13 PolarHBondContact O-N 3.45Å; N10-L13 WeakPolarHBondContact O-CB 3.37Å; N10-L13 PolarHBondContact O-N 3.21Å; V11-L13 VanDerWaalsContact C-N 3.31Å; V11-L13 PolarHBondContact O-N 2.76Å; L13-N15 VanDerWaalsContact C-N 3.35Å; L13-L16 WeakPolarHBondContact O-CB 3.41Å; L13-L16 PolarHBondContact O-N 3.26Å; L13-C17 PolarHBondContact O-N 3.23Å; L13-C17 PolarHBondContact O-SG 3.38Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; L13-F32 HydrophobicContact CB-CE2 4.12Å; L13-F32 HydrophobicContact CD2-CD2 4.15Å; L13-F32 HydrophobicContact CD2-CE2 3.98Å; L13-F32 HydrophobicContact CG-CD2 4.37Å; L13-F32 HydrophobicContact CG-CE2 4.32Å; L13-A35 HydrophobicContact CD1-CB 4.33Å; L13-A35 HydrophobicContact CD2-CB 3.73Å; L13-A35 HydrophobicContact CG-CB 4.16Å; L13-V36 HydrophobicContact CD2-CB 4.48Å; L13-V36 HydrophobicContact CD2-CG2 3.65Å; L13-I39 HydrophobicContact CD1-CD1 3.23Å; L13-I39 HydrophobicContact CD2-CD1 4.21Å; L13-I39 HydrophobicContact CG-CD1 4.35Å
14Q87.7Confident82Confident45 Ų4590.2 Ų90.221%0.2147%0.474CS..Hα-helixtrans-61.4-45.4174.6-168.5-1799.900110.9N10 V11 L16 C17 C18 E25 F32N10-Q14 PolarHBondContact O-N 2.85Å; V11-Q14 PolarHBondContact O-N 2.94Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.15Å; Q14-C17 WeakPolarHBondContact O-CB 3.35Å; Q14-C17 PolarHBondContact O-N 2.94Å; Q14-C17 VanDerWaalsContact O-N 3.15Å; Q14-C18 PolarHBondContact O-N 3.47Å; Q14-C18 PolarHBondContact O-SG 2.98Å; Q14-E25 HydrophobicContact CG-CG 4.4Å; Q14-E25 PolarHBondContact NE2-OE2 3.01Å; Q14-F32 HydrophobicContact CB-CD2 3.86Å; Q14-F32 HydrophobicContact CB-CE2 3.75Å; Q14-F32 HydrophobicContact CB-CZ 4.37Å; Q14-F32 HydrophobicContact CG-CD2 4.32Å
15N89.3Confident83.6Confident70 Ų7090.6 Ų90.637%0.37447%0.468SS..Hα-helixtrans-58.1-41.1173.8-73.6-29.5000112.1V11 L12 L13 C18 R19V11-N15 PolarHBondContact O-N 2.86Å; V11-N15 PolarHBondContact O-ND2 2.69Å; L12-N15 PolarHBondContact O-N 3.39Å; L13-N15 VanDerWaalsContact C-N 3.35Å; N15-C18 PolarHBondContact O-N 3.05Å; N15-R19 WeakPolarHBondContact O-CB 3.42Å; N15-R19 WeakPolarHBondContact O-CG 3.34Å; N15-R19 PolarHBondContact O-N 3.15Å
16L90.6Very high85.2Confident94 Ų9488.5 Ų88.549%0.49247%0.468SS..Hα-helixtrans-62-45175.9-176.365.8000111.5L12 L13 Q14 C18 R19 I20L12-L16 PolarHBondContact O-N 3.45Å; L13-L16 WeakPolarHBondContact O-CB 3.41Å; L13-L16 PolarHBondContact O-N 3.26Å; Q14-L16 VanDerWaalsContact C-N 3.29Å; Q14-L16 PolarHBondContact O-N 3.15Å; L16-C18 PolarHBondContact O-N 3.31Å; L16-R19 PolarHBondContact O-N 3.47Å; L16-I20 HydrophobicContact CD1-CD1 3.85Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.42Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.99Å
17C88.8Confident86.5Confident15 Ų1585.6 Ų85.610%0.10146%0.458CS..Hα-helixtrans-59.5-44.9176-67.30000111.9L13 Q14 R19 L21 V28L13-C17 PolarHBondContact O-N 3.23Å; L13-C17 PolarHBondContact O-SG 3.38Å; L13-C17 VanDerWaalsContact O-SG 3.37Å; Q14-C17 WeakPolarHBondContact O-CB 3.35Å; Q14-C17 PolarHBondContact O-N 2.94Å; Q14-C17 VanDerWaalsContact O-N 3.15Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.38Å; C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.46Å; C17-L21 PolarHBondContact O-N 2.8Å; C17-V28 HydrophobicContact CB-CB 4.2Å; C17-V28 HydrophobicContact CB-CG2 4.22Å
18C89.9Confident87.6Confident23 Ų2377.1 Ų77.116%0.15542%0.421CS..Hα-helixtrans-61.9-41.6176.2-630000111.9Q14 N15 L16 G22Q14-C18 PolarHBondContact O-N 3.47Å; Q14-C18 PolarHBondContact O-SG 2.98Å; N15-C18 PolarHBondContact O-N 3.05Å; L16-C18 PolarHBondContact O-N 3.31Å; C18-G22 WeakPolarHBondContact O-CA 3.42Å; C18-G22 PolarHBondContact O-N 3.2Å
19R91.2Very high87.7Confident216 Ų21677.6 Ų77.682%0.81543%0.427SS*.Hα-helixtrans-71.3-36.8-178.5-69.7-72.2-75.4157.3-4.6113.3N15 L16 C17N15-R19 WeakPolarHBondContact O-CB 3.42Å; N15-R19 WeakPolarHBondContact O-CG 3.34Å; N15-R19 PolarHBondContact O-N 3.15Å; L16-R19 PolarHBondContact O-N 3.47Å; C17-R19 VanDerWaalsContact C-N 3.35Å; C17-R19 PolarHBondContact O-N 3.38Å
20I89.9Confident87.8Confident125 Ų12581.1 Ų81.164%0.64144%0.437SS*.Hα-helixtrans-73.4-42.3177.7-67.2173.6000110.9L16L16-I20 HydrophobicContact CD1-CD1 3.85Å; L16-I20 HydrophobicContact CD1-CG1 4.18Å; L16-I20 HydrophobicContact CD2-CD1 4.44Å; L16-I20 HydrophobicContact CG-CD1 3.79Å; L16-I20 HydrophobicContact CG-CG1 4.42Å; L16-I20 WeakPolarHBondContact O-CG1 3.46Å; L16-I20 PolarHBondContact O-N 2.99Å
21L88.4Confident87.9Confident79 Ų7981.4 Ų81.441%0.41444%0.435SS..Hα-helixtrans-89.3-16.7-173.7-62.8169.5000113.4C17 R23 V28 Q31C17-L21 WeakPolarHBondContact O-CB 3.41Å; C17-L21 WeakPolarHBondContact O-CG 3.46Å; C17-L21 PolarHBondContact O-N 2.8Å; L21-R23 HydrophobicContact CB-CG 4.38Å; L21-R23 PolarHBondContact O-N 3.46Å; L21-V28 HydrophobicContact CB-CG1 4.16Å; L21-V28 HydrophobicContact CD1-CB 4.22Å; L21-V28 HydrophobicContact CD1-CG1 3.69Å; L21-Q31 HydrophobicContact CD1-CB 3.98Å; L21-Q31 HydrophobicContact CD1-CG 3.84Å
22G89.4Confident88Confident72 Ų7282 Ų8274%0.74244%0.435SS*.THydrogen-bonded Turntrans65.525.7-176.800000113.6C18C18-G22 WeakPolarHBondContact O-CA 3.42Å; C18-G22 PolarHBondContact O-N 3.2Å
23R88.8Confident88Confident161 Ų16183.6 Ų83.661%0.60844%0.44SS*.  trans-118162.7-175.6-61.8-175.8-174-148.2-0.7112L21 D27 V28L21-R23 HydrophobicContact CB-CG 4.38Å; L21-R23 PolarHBondContact O-N 3.46Å; R23-D27 HydrophobicContact CB-CB 4.05Å; R23-V28 HydrophobicContact CB-CG1 3.86Å
24S86.3Confident88Confident74 Ų7489.6 Ų89.652%0.51746%0.462SS..  trans-65.9155.6175.3179.90000111.6A26 D27 V28S24-A26 PolarHBondContact O-N 2.95Å; S24-D27 PolarHBondContact O-N 3.36Å; S24-V28 PolarHBondContact O-N 3.45Å
25E81.8Confident88Confident102 Ų10288.4 Ų88.448%0.47746%0.46SS..THydrogen-bonded Turntrans-53.7-35.7179-73.2-175.8-166.500113.3Q14 D27 V28Q14-E25 HydrophobicContact CG-CG 4.4Å; Q14-E25 PolarHBondContact NE2-OE2 3.01Å; E25-D27 VanDerWaalsContact C-N 3.32Å; E25-D27 PolarHBondContact O-N 3.33Å; E25-V28 WeakPolarHBondContact O-CG2 3.16Å
26A82.3Confident88Confident80 Ų8087.5 Ų87.566%0.66146%0.457SS*.THydrogen-bonded Turntrans-66.1-34.6178.500000112.5S24S24-A26 PolarHBondContact O-N 2.95Å
27D84.9Confident87.9Confident109 Ų10992 Ų9258%0.58347%0.468SS*.THydrogen-bonded Turntrans-84.8-19.7-175.2-60-36.6000112.8R23 S24 E25R23-D27 HydrophobicContact CB-CB 4.05Å; S24-D27 PolarHBondContact O-N 3.36Å; E25-D27 VanDerWaalsContact C-N 3.32Å; E25-D27 PolarHBondContact O-N 3.33Å
28V89.1Confident87.7Confident1 Ų194.1 Ų94.11%0.00648%0.48CS..THydrogen-bonded Turntrans-94.41.6179.6-58.50000113.4C17 L21 R23 S24 E25 Q30 Q31 F32C17-V28 HydrophobicContact CB-CB 4.2Å; C17-V28 HydrophobicContact CB-CG2 4.22Å; L21-V28 HydrophobicContact CB-CG1 4.16Å; L21-V28 HydrophobicContact CD1-CB 4.22Å; L21-V28 HydrophobicContact CD1-CG1 3.69Å; R23-V28 HydrophobicContact CB-CG1 3.86Å; S24-V28 PolarHBondContact O-N 3.45Å; E25-V28 WeakPolarHBondContact O-CG2 3.16Å; V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3Å; V28-Q30 VanDerWaalsContact O-N 3.17Å; V28-Q31 PolarHBondContact O-N 2.95Å; V28-F32 WeakPolarHBondContact O-CB 3.38Å; V28-F32 PolarHBondContact O-N 3.48Å
29A86Confident87.6Confident45 Ų4596.9 Ų96.937%0.37249%0.493SS..Hα-helixtrans-53.6-40.8-17400000113.3F32 Q33A29-F32 PolarHBondContact O-N 3.17Å; A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 VanDerWaalsContact O-CG 3.31Å; A29-Q33 WeakPolarHBondContact O-CG 3.29Å; A29-Q33 PolarHBondContact O-N 3.19Å
30Q87.3Confident87.2Confident151 Ų15189.3 Ų89.371%0.70648%0.482SS*.Hα-helixtrans-67.5-40.2178.9-168.5175.41400112.5V28 Y34V28-Q30 VanDerWaalsContact C-N 3.27Å; V28-Q30 PolarHBondContact O-N 3Å; V28-Q30 VanDerWaalsContact O-N 3.17Å; Q30-Y34 PolarHBondContact O-N 3.37Å; Q30-Y34 VanDerWaalsContact O-N 3.15Å
31Q88.3Confident86.7Confident98 Ų9887.4 Ų87.446%0.45848%0.48SS..Hα-helixtrans-72.9-36.4178.3-58.7-57.2-25.200111.3L21 V28 Y34 A35L21-Q31 HydrophobicContact CD1-CB 3.98Å; L21-Q31 HydrophobicContact CD1-CG 3.84Å; V28-Q31 PolarHBondContact O-N 2.95Å; Q31-Y34 PolarHBondContact O-N 3.44Å; Q31-A35 WeakPolarHBondContact O-CB 3.37Å; Q31-A35 PolarHBondContact O-N 3.29Å
32F89.4Confident86.1Confident44 Ų4488.9 Ų88.919%0.19349%0.488CS..Hα-helixtrans-62-47.3172.2174.1-109.8000111.6N10 L13 Q14 V28 A29 Y34 A35 V36N10-F32 HydrophobicContact CB-CZ 4.47Å; N10-F32 VanDerWaalsContact O-CE2 3.29Å; N10-F32 WeakPolarHBondContact O-CE2 3.18Å; L13-F32 HydrophobicContact CB-CE2 4.12Å; L13-F32 HydrophobicContact CD2-CD2 4.15Å; L13-F32 HydrophobicContact CD2-CE2 3.98Å; L13-F32 HydrophobicContact CG-CD2 4.37Å; L13-F32 HydrophobicContact CG-CE2 4.32Å; Q14-F32 HydrophobicContact CB-CD2 3.86Å; Q14-F32 HydrophobicContact CB-CE2 3.75Å; Q14-F32 HydrophobicContact CB-CZ 4.37Å; Q14-F32 HydrophobicContact CG-CD2 4.32Å; V28-F32 WeakPolarHBondContact O-CB 3.38Å; V28-F32 PolarHBondContact O-N 3.48Å; A29-F32 PolarHBondContact O-N 3.17Å; F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.12Å; F32-A35 PolarHBondContact O-N 3.16Å; F32-A35 VanDerWaalsContact O-N 3.15Å; F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CD2-CG2 4.09Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 3.63Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.57Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.4Å
33Q88.4Confident85.4Confident131 Ų13192.8 Ų92.861%0.61249%0.485SS*.Hα-helixtrans-58.6-40.5175.9-77.4179.3-1.600112.4A29 R37A29-Q33 WeakPolarHBondContact O-CB 3.45Å; A29-Q33 VanDerWaalsContact O-CG 3.31Å; A29-Q33 WeakPolarHBondContact O-CG 3.29Å; A29-Q33 PolarHBondContact O-N 3.19Å; Q33-R37 PolarHBondContact O-N 3.27Å; Q33-R37 VanDerWaalsContact O-N 3.13Å
34Y89.6Confident84.6Confident146 Ų14688.4 Ų88.457%0.57348%0.483SS*.Hα-helixtrans-62.9-48.8173.7175-103.8000111.7Q30 Q31 F32 V36 R37 V38Q30-Y34 PolarHBondContact O-N 3.37Å; Q30-Y34 VanDerWaalsContact O-N 3.15Å; Q31-Y34 PolarHBondContact O-N 3.44Å; F32-Y34 VanDerWaalsContact C-N 3.29Å; F32-Y34 PolarHBondContact O-N 3.12Å; Y34-V36 VanDerWaalsContact C-N 3.34Å; Y34-V36 PolarHBondContact O-N 3.37Å; Y34-R37 WeakPolarHBondContact O-CB 3.29Å; Y34-R37 PolarHBondContact O-N 2.69Å; Y34-R37 VanDerWaalsContact O-N 3.13Å; Y34-V38 HydrophobicContact CD1-CG2 4.47Å; Y34-V38 HydrophobicContact CD2-CG2 4.34Å; Y34-V38 HydrophobicContact CE1-CG2 4Å; Y34-V38 HydrophobicContact CE2-CG2 3.86Å; Y34-V38 WeakPolarHBondContact O-CG2 3.37Å; Y34-V38 PolarHBondContact O-N 2.68Å
35A87.8Confident83.9Confident20 Ų2086.9 Ų86.917%0.16547%0.471CS..Hα-helixtrans-60.8-41.5179.600000112.3L13 Q31 F32 R37 V38 I39L13-A35 HydrophobicContact CD1-CB 4.33Å; L13-A35 HydrophobicContact CD2-CB 3.73Å; L13-A35 HydrophobicContact CG-CB 4.16Å; Q31-A35 WeakPolarHBondContact O-CB 3.37Å; Q31-A35 PolarHBondContact O-N 3.29Å; F32-A35 PolarHBondContact O-N 3.16Å; F32-A35 VanDerWaalsContact O-N 3.15Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 2.97Å; A35-V38 PolarHBondContact O-N 3.44Å; A35-I39 WeakPolarHBondContact O-CB 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 3.38Å
36V89.5Confident83.3Confident52 Ų5286.6 Ų86.632%0.31548%0.476SS..Hα-helixtrans-61.3-41.5174.9172.20000111.1L13 F32 Y34 G40L13-V36 HydrophobicContact CD2-CB 4.48Å; L13-V36 HydrophobicContact CD2-CG2 3.65Å; F32-V36 HydrophobicContact CD1-CG2 4.38Å; F32-V36 HydrophobicContact CD2-CG2 4.09Å; F32-V36 HydrophobicContact CE1-CG2 3.96Å; F32-V36 HydrophobicContact CE2-CG2 3.63Å; F32-V36 HydrophobicContact CG-CG2 4.44Å; F32-V36 HydrophobicContact CZ-CG2 3.57Å; F32-V36 WeakPolarHBondContact O-CG2 3.27Å; F32-V36 PolarHBondContact O-N 3.4Å; Y34-V36 VanDerWaalsContact C-N 3.34Å; Y34-V36 PolarHBondContact O-N 3.37Å; V36-G40 WeakPolarHBondContact O-CA 3.33Å; V36-G40 PolarHBondContact O-N 3.28Å
37R87.8Confident83Confident187 Ų18784.2 Ų84.271%0.70645%0.454SS*.Hα-helixtrans-62.8-44.8177.6-174.1-175.4-64.3172.30.1111.9Q33 Y34 A35 S41Q33-R37 PolarHBondContact O-N 3.27Å; Q33-R37 VanDerWaalsContact O-N 3.13Å; Y34-R37 WeakPolarHBondContact O-CB 3.29Å; Y34-R37 PolarHBondContact O-N 2.69Å; Y34-R37 VanDerWaalsContact O-N 3.13Å; A35-R37 VanDerWaalsContact C-N 3.33Å; A35-R37 PolarHBondContact O-N 2.97Å; R37-S41 WeakPolarHBondContact O-CB 3.44Å; R37-S41 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-OG 3.41Å
38V86.6Confident82.5Confident61 Ų6182.1 Ų82.137%0.3744%0.441SS..Hα-helixtrans-69.8-47.3-178.4176.20000111.3Y34 A35 S41 N42Y34-V38 HydrophobicContact CD1-CG2 4.47Å; Y34-V38 HydrophobicContact CD2-CG2 4.34Å; Y34-V38 HydrophobicContact CE1-CG2 4Å; Y34-V38 HydrophobicContact CE2-CG2 3.86Å; Y34-V38 WeakPolarHBondContact O-CG2 3.37Å; Y34-V38 PolarHBondContact O-N 2.68Å; A35-V38 PolarHBondContact O-N 3.44Å; V38-S41 PolarHBondContact O-OG 3.14Å; V38-N42 PolarHBondContact O-N 3.43Å
39I86.1Confident82.1Confident80 Ų8088.9 Ų88.941%0.4147%0.466SS..Hα-helixtrans-73.4-37.2-178.3-68170.8000111.2L13 A35 S41 N42 F43L13-I39 HydrophobicContact CD1-CD1 3.23Å; L13-I39 HydrophobicContact CD2-CD1 4.21Å; L13-I39 HydrophobicContact CG-CD1 4.35Å; A35-I39 WeakPolarHBondContact O-CB 3.26Å; A35-I39 WeakPolarHBondContact O-CG1 3.46Å; A35-I39 PolarHBondContact O-N 3.38Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.81Å; I39-N42 CarbonylContact O-C 3.3Å; I39-N42 VanDerWaalsContact O-C 3.3Å; I39-N42 PolarHBondContact O-N 2.89Å; I39-F43 HydrophobicContact CG2-CD2 4.34Å; I39-F43 PolarHBondContact O-N 3.21Å; I39-F43 VanDerWaalsContact O-N 3.15Å
40G83.3Confident81.9Confident57 Ų5789.9 Ų89.959%0.58847%0.465SS*.Hα-helixtrans-66.1-30.4177.900000113.4V36V36-G40 WeakPolarHBondContact O-CA 3.33Å; V36-G40 PolarHBondContact O-N 3.28Å
41S79.3Confident81.9Confident86 Ų8684.7 Ų84.760%0.60144%0.441SS*.Hα-helixtrans-79.3-20.8174.750.60000113.6R37 V38 I39R37-S41 WeakPolarHBondContact O-CB 3.44Å; R37-S41 PolarHBondContact O-N 2.95Å; R37-S41 PolarHBondContact O-OG 3.41Å; V38-S41 PolarHBondContact O-OG 3.14Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-S41 PolarHBondContact O-N 2.81Å
42N75.8Confident81.9Confident109 Ų10986.6 Ų86.658%0.58345%0.448SS*.THydrogen-bonded Turntrans-12948.4-176.6-68.7-82.2000111.8V38 I39V38-N42 PolarHBondContact O-N 3.43Å; I39-N42 CarbonylContact O-C 3.3Å; I39-N42 VanDerWaalsContact O-C 3.3Å; I39-N42 PolarHBondContact O-N 2.89Å
43F74.3Confident81.8Confident155 Ų15586.8 Ų86.868%0.6845%0.451SS*.  trans-76.6-25.9-175.5-164.9-105.1000113.2I39I39-F43 HydrophobicContact CG2-CD2 4.34Å; I39-F43 PolarHBondContact O-N 3.21Å; I39-F43 VanDerWaalsContact O-N 3.15Å
44A72.9Confident81.8Confident69 Ų6980.8 Ų80.857%0.5742%0.423SS*.SBendtrans-88.4138.2177.900000111T46A44-T46 PolarHBondContact O-N 3.19Å
45P71.3Confident81.9Confident41 Ų4174 Ų7427%0.26640%0.397SS..  trans-64.6123.9172.331.2-37.5000109.6V47P45-V47 VanDerWaalsContact C-N 3.27Å
46T70.3Confident82Confident96 Ų9675.5 Ų75.559%0.58940%0.401SS*.  trans-82.7-7179.648.30000113.2A44 R124A44-T46 PolarHBondContact O-N 3.19Å; T46-R124 PolarHBondContact O-N 3.06Å
47V75Confident82Confident31 Ų3176 Ų7619%0.18840%0.399CS..BIsolated β-bridgetrans-131.8142.4-165.1175.80000109.7P45 W91 A121P45-V47 VanDerWaalsContact C-N 3.27Å; V47-W91 HydrophobicContact CB-CZ2 4.48Å; V47-W91 HydrophobicContact CG1-CZ2 4.25Å; V47-A121 HydrophobicContact CB-CB 4.48Å; V47-A121 HydrophobicContact CG1-CB 3Å
48E74.1Confident82.1Confident65 Ų6568.1 Ų68.130%0.30437%0.37SS..  trans-57.6138.7175.4-80.2-151.915700113.1D50 L122 H127E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.32Å; E48-L122 HydrophobicContact CB-CB 4.49Å; E48-L122 HydrophobicContact CG-CB 4.09Å; E48-L122 PolarHBondContact N-O 3.36Å; E48-L122 VanDerWaalsContact N-O 3.07Å; E48-H127 IonicContact OE1-CD2 3.29Å; E48-H127 IonicContact OE1-CE1 2.69Å; E48-H127 IonicContact OE1-NE2 2.68Å; E48-H127 PolarHBondContact OE1-NE2 2.79Å
49R81.4Confident82.2Confident142 Ų14267.6 Ų67.654%0.53636%0.363SS..  trans-8754.8-173.3-60.1-176.3-179.4167.4-2.2112.5E51 W91R49-E51 PolarHBondContact O-N 2.95Å; R49-W91 HydrophobicContact CB-CB 4.39Å; R49-W91 HydrophobicContact CB-CD2 3.94Å; R49-W91 HydrophobicContact CB-CE3 4.14Å; R49-W91 HydrophobicContact CB-CG 4.05Å; R49-W91 HydrophobicContact CG-CD2 4.07Å; R49-W91 HydrophobicContact CG-CE3 3.77Å; R49-W91 HydrophobicContact CG-CZ3 4.06Å
50D81.9Confident82.2Confident66 Ų6668.8 Ų68.835%0.35337%0.365SS..  trans-81.798.5178.1-172.8-14.4000111.4E48 F52 L53 V54E48-D50 VanDerWaalsContact C-N 3.26Å; E48-D50 PolarHBondContact O-N 3.32Å; D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 PolarHBondContact OD1-N 3.2Å; D50-L53 HydrophobicContact CB-CB 3.91Å; D50-L53 PolarHBondContact O-N 3.31Å; D50-L53 PolarHBondContact OD1-N 2.86Å; D50-V54 PolarHBondContact O-N 3.5Å
51E86.5Confident82.4Confident43 Ų4368.6 Ų68.620%0.20135%0.349CS..Hα-helixtrans-57.4-41.6176.6178.2179.5149.100112R49 V54 A55 H78 H82 K90 L94R49-E51 PolarHBondContact O-N 2.95Å; E51-V54 PolarHBondContact O-N 3.2Å; E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.15Å; E51-H78 IonicContact OE1-CE1 3.65Å; E51-H78 PolarHBondContact OE1-CE1 3.24Å; E51-H78 IonicContact OE1-NE2 2.76Å; E51-H78 PolarHBondContact OE1-NE2 3.47Å; E51-H82 IonicContact OE1-CE1 3.98Å; E51-H82 IonicContact OE1-ND1 3.08Å; E51-H82 PolarHBondContact OE1-ND1 2.99Å; E51-K90 HydrophobicContact CG-CB 4.4Å; E51-K90 WeakPolarHBondContact OE2-CB 3.36Å; E51-K90 WeakPolarHBondContact OE2-CD 3.29Å; E51-L94 HydrophobicContact CG-CD1 4.24Å
52F87.8Confident82.8Confident137 Ų13765.9 Ų65.960%0.60133%0.328SS*.Hα-helixtrans-65.9-44.4-176.5177-100.8000110.6D50 V54 A55 E56D50-F52 VanDerWaalsContact C-N 3.3Å; D50-F52 PolarHBondContact O-N 3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.14Å; D50-F52 PolarHBondContact OD1-N 3.2Å; F52-V54 VanDerWaalsContact C-N 3.33Å; F52-V54 PolarHBondContact O-N 3.43Å; F52-A55 PolarHBondContact O-N 2.87Å; F52-E56 HydrophobicContact CD1-CG 4.16Å; F52-E56 HydrophobicContact CD2-CG 4.49Å; F52-E56 HydrophobicContact CE1-CG 3.7Å; F52-E56 HydrophobicContact CE2-CG 4.06Å; F52-E56 HydrophobicContact CZ-CG 3.64Å; F52-E56 WeakPolarHBondContact O-CG 3.31Å; F52-E56 PolarHBondContact O-N 3.34Å
53L87.9Confident83.3Confident49 Ų4964.9 Ų64.926%0.25732%0.321SS..Hα-helixtrans-60-42.2178.4-173.769.5000112.3D50 K57 A121D50-L53 HydrophobicContact CB-CB 3.91Å; D50-L53 PolarHBondContact O-N 3.31Å; D50-L53 PolarHBondContact OD1-N 2.86Å; L53-K57 WeakPolarHBondContact O-CG 3.32Å; L53-K57 PolarHBondContact O-N 3.48Å; L53-A121 HydrophobicContact CD2-CB 3.97Å
54V89.8Confident84Confident5 Ų562.9 Ų62.93%0.0331%0.309CS..Hα-helixtrans-69-40.3178.2178.80000111.2D50 E51 F52 K57 I58 W91 L94 Y95 L98D50-V54 PolarHBondContact O-N 3.5Å; E51-V54 PolarHBondContact O-N 3.2Å; F52-V54 VanDerWaalsContact C-N 3.33Å; F52-V54 PolarHBondContact O-N 3.43Å; V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.84Å; V54-I58 HydrophobicContact CG1-CD1 4.11Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.37Å; V54-W91 VanDerWaalsContact CG2-NE1 3.33Å; V54-L94 HydrophobicContact CG1-CB 3.76Å; V54-Y95 HydrophobicContact CG2-CD2 4.12Å; V54-L98 HydrophobicContact CG1-CD2 4.38Å
55A90.6Very high84.6Confident4 Ų462.6 Ų62.63%0.03330%0.296CS..Hα-helixtrans-62.9-42.1175.600000112.1E51 F52 K57 I58 K59 F74E51-A55 WeakPolarHBondContact O-CB 3.41Å; E51-A55 PolarHBondContact O-N 3.15Å; F52-A55 PolarHBondContact O-N 2.87Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.9Å; A55-I58 PolarHBondContact O-N 2.91Å; A55-K59 WeakPolarHBondContact O-CG 3.44Å; A55-K59 PolarHBondContact O-N 3.03Å; A55-F74 HydrophobicContact CB-CE1 4.18Å; A55-F74 HydrophobicContact CB-CZ 4.38Å
56E90.2Very high85.1Confident50 Ų5071.6 Ų71.623%0.23433%0.325CS..Hα-helixtrans-61.5-41173.7-75.8-58.8127.300112.2F52 K59 K60F52-E56 HydrophobicContact CD1-CG 4.16Å; F52-E56 HydrophobicContact CD2-CG 4.49Å; F52-E56 HydrophobicContact CE1-CG 3.7Å; F52-E56 HydrophobicContact CE2-CG 4.06Å; F52-E56 HydrophobicContact CZ-CG 3.64Å; F52-E56 WeakPolarHBondContact O-CG 3.31Å; F52-E56 PolarHBondContact O-N 3.34Å; E56-K59 PolarHBondContact O-N 3.15Å; E56-K59 WeakPolarHBondContact OE1-CE 3.42Å; E56-K59 IonicContact OE1-NZ 3.46Å; E56-K59 PolarHBondContact OE1-NZ 3.43Å; E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.42Å; E56-K60 PolarHBondContact O-N 3.19Å
57K88.9Confident85.9Confident63 Ų6372.9 Ų72.927%0.27432%0.319SS..Hα-helixtrans-60-46.4174.8-80.8-178170.3-169.10112.2L53 V54 A55 K59 K60 E61 L98 A119L53-K57 WeakPolarHBondContact O-CG 3.32Å; L53-K57 PolarHBondContact O-N 3.48Å; V54-K57 WeakPolarHBondContact O-CB 3.49Å; V54-K57 PolarHBondContact O-N 2.84Å; A55-K57 VanDerWaalsContact C-N 3.34Å; A55-K57 PolarHBondContact O-N 2.9Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K57-K59 PolarHBondContact O-N 3.17Å; K57-K60 PolarHBondContact O-N 3.33Å; K57-E61 WeakPolarHBondContact O-CB 3.26Å; K57-E61 PolarHBondContact O-N 3.03Å; K57-L98 HydrophobicContact CB-CD2 3.93Å; K57-L98 HydrophobicContact CD-CD2 4.04Å; K57-A119 HydrophobicContact CD-CB 4.49Å; K57-A119 WeakPolarHBondContact CE-O 3.48Å; K57-A119 PolarHBondContact NZ-O 2.66Å
58I89.8Confident86.6Confident22 Ų2277.8 Ų77.811%0.11334%0.34CS..Hα-helixtrans-61.5-44.5179.2-66163.4000110.4V54 A55 E61 L62 F74 L94 L98V54-I58 HydrophobicContact CG1-CD1 4.11Å; V54-I58 WeakPolarHBondContact O-CG1 3.48Å; V54-I58 PolarHBondContact O-N 3.37Å; A55-I58 PolarHBondContact O-N 2.91Å; I58-E61 PolarHBondContact O-N 3.49Å; I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.96Å; I58-F74 HydrophobicContact CB-CE1 4.08Å; I58-F74 HydrophobicContact CB-CE2 4.3Å; I58-F74 HydrophobicContact CB-CZ 3.87Å; I58-F74 HydrophobicContact CD1-CE2 4.03Å; I58-F74 HydrophobicContact CD1-CZ 3.74Å; I58-F74 HydrophobicContact CG1-CZ 4.41Å; I58-F74 HydrophobicContact CG2-CD1 4.23Å; I58-F74 HydrophobicContact CG2-CD2 3.9Å; I58-F74 HydrophobicContact CG2-CE1 4.01Å; I58-F74 HydrophobicContact CG2-CE2 3.68Å; I58-F74 HydrophobicContact CG2-CG 4.17Å; I58-F74 HydrophobicContact CG2-CZ 3.73Å; I58-L94 HydrophobicContact CD1-CB 4.15Å; I58-L94 HydrophobicContact CD1-CD2 4.18Å; I58-L98 HydrophobicContact CD1-CB 4.42Å; I58-L98 HydrophobicContact CG1-CB 4.07Å; I58-L98 HydrophobicContact CG1-CD1 3.95Å; I58-L98 HydrophobicContact CG1-CD2 4.36Å; I58-L98 HydrophobicContact CG1-CG 4.34Å
59K88.7Confident87.4Confident49 Ų4978.5 Ų78.521%0.21336%0.357CS..Hα-helixtrans-60.9-47.3176.7-71.4-174-61.9174.90112.2A55 E56 K57 E61 L62 I63 F74 S75A55-K59 WeakPolarHBondContact O-CG 3.44Å; A55-K59 PolarHBondContact O-N 3.03Å; E56-K59 PolarHBondContact O-N 3.15Å; E56-K59 WeakPolarHBondContact OE1-CE 3.42Å; E56-K59 IonicContact OE1-NZ 3.46Å; E56-K59 PolarHBondContact OE1-NZ 3.43Å; K57-K59 VanDerWaalsContact C-N 3.34Å; K57-K59 PolarHBondContact O-N 3.17Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.13Å; K59-L62 PolarHBondContact O-N 3.17Å; K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.93Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CD-CE1 4.49Å; K59-F74 HydrophobicContact CG-CD1 3.53Å; K59-F74 HydrophobicContact CG-CE1 3.87Å; K59-S75 VanDerWaalsContact CD-OG 3.26Å; K59-S75 WeakPolarHBondContact CD-OG 3.49Å
60K87.4Confident87.8Confident105 Ų10574.2 Ų74.246%0.45734%0.344SS..Hα-helixtrans-59.7-40.8176.8-76179.6179.5-177.50111.7E56 K57 I63 R64E56-K60 WeakPolarHBondContact O-CB 3.32Å; E56-K60 WeakPolarHBondContact O-CG 3.42Å; E56-K60 PolarHBondContact O-N 3.19Å; K57-K60 PolarHBondContact O-N 3.33Å; K60-I63 PolarHBondContact O-N 3.4Å; K60-R64 VanDerWaalsContact O-CB 3.25Å; K60-R64 WeakPolarHBondContact O-CB 3.27Å; K60-R64 PolarHBondContact O-N 3.05Å
61E86.4Confident88.2Confident54 Ų5471.3 Ų71.325%0.25233%0.33SS..Hα-helixtrans-65.7-40.4178.7-17852.7-153.500112.1K57 I58 K59 R64 Q65K57-E61 WeakPolarHBondContact O-CB 3.26Å; K57-E61 PolarHBondContact O-N 3.03Å; I58-E61 PolarHBondContact O-N 3.49Å; K59-E61 VanDerWaalsContact C-N 3.28Å; K59-E61 PolarHBondContact O-N 3.13Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.35Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.11Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.41Å; E61-R64 IonicContact OE2-CZ 2.62Å; E61-R64 IonicContact OE2-NE 2.9Å; E61-R64 PolarHBondContact OE2-NE 3.12Å; E61-R64 IonicContact OE2-NH2 2.68Å; E61-R64 PolarHBondContact OE2-NH2 3.46Å; E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 VanDerWaalsContact O-N 3.11Å; E61-Q65 PolarHBondContact OE1-NE2 2.93Å
62L87.4Confident88.4Confident28 Ų2872.4 Ų72.415%0.14735%0.346CS..Hα-helixtrans-65.8-43.1174.7-71.4168.4000112.8I58 K59 R64 Q65 R66 R67 D70 A71 F74I58-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 WeakPolarHBondContact O-CG 3.42Å; I58-L62 PolarHBondContact O-N 2.96Å; K59-L62 PolarHBondContact O-N 3.17Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.15Å; L62-Q65 PolarHBondContact O-N 3.14Å; L62-Q65 VanDerWaalsContact O-N 3.12Å; L62-R66 PolarHBondContact O-N 2.84Å; L62-R67 PolarHBondContact O-N 3.45Å; L62-D70 HydrophobicContact CD2-CB 4.34Å; L62-A71 HydrophobicContact CB-CB 3.92Å; L62-A71 HydrophobicContact CD1-CB 4.41Å; L62-F74 HydrophobicContact CD1-CB 4.04Å; L62-F74 HydrophobicContact CD1-CG 4.43Å
63I87.6Confident88.8Confident88 Ų8870.5 Ų70.545%0.45134%0.342SS..Hα-helixtrans-61.8-43174.9-66.1165.3000110K59 K60 Q65 R66 A71K59-I63 VanDerWaalsContact O-CG1 3.29Å; K59-I63 WeakPolarHBondContact O-CG1 3.37Å; K59-I63 PolarHBondContact O-N 2.93Å; K60-I63 PolarHBondContact O-N 3.4Å; I63-Q65 PolarHBondContact O-N 2.67Å; I63-R66 WeakPolarHBondContact O-CA 3.36Å; I63-R66 PolarHBondContact O-N 3.04Å; I63-A71 HydrophobicContact CD1-CB 4.49Å; I63-A71 HydrophobicContact CG1-CB 3.88Å
64R87.5Confident89.1Confident113 Ų11369.7 Ų69.743%0.42634%0.336SS..Hα-helixtrans-62.2-24.8176.8-160.9-160.259.351.610.5112.8K60 E61 L62 R66 R106K60-R64 VanDerWaalsContact O-CB 3.25Å; K60-R64 WeakPolarHBondContact O-CB 3.27Å; K60-R64 PolarHBondContact O-N 3.05Å; E61-R64 WeakPolarHBondContact O-CB 3.39Å; E61-R64 PolarHBondContact O-N 3.35Å; E61-R64 IonicContact OE1-CZ 2.69Å; E61-R64 IonicContact OE1-NE 3.11Å; E61-R64 IonicContact OE1-NH2 2.68Å; E61-R64 PolarHBondContact OE1-NH2 3.41Å; E61-R64 IonicContact OE2-CZ 2.62Å; E61-R64 IonicContact OE2-NE 2.9Å; E61-R64 PolarHBondContact OE2-NE 3.12Å; E61-R64 IonicContact OE2-NH2 2.68Å; E61-R64 PolarHBondContact OE2-NH2 3.46Å; L62-R64 VanDerWaalsContact C-N 3.31Å; L62-R64 PolarHBondContact O-N 3.15Å; R64-R66 VanDerWaalsContact C-N 3.29Å; R64-R106 VanDerWaalsContact NH2-NH2 3.1Å
65Q86.1Confident89.2Confident63 Ų6371.9 Ų71.929%0.29435%0.351SS..THydrogen-bonded Turntrans-86.77173.9-67.21792200113.4E61 L62 I63 R67E61-Q65 WeakPolarHBondContact O-CG 3.46Å; E61-Q65 PolarHBondContact O-N 3.35Å; E61-Q65 VanDerWaalsContact O-N 3.11Å; E61-Q65 PolarHBondContact OE1-NE2 2.93Å; L62-Q65 PolarHBondContact O-N 3.14Å; L62-Q65 VanDerWaalsContact O-N 3.12Å; I63-Q65 PolarHBondContact O-N 2.67Å; Q65-R67 HydrophobicContact CB-CG 4.32Å; Q65-R67 PolarHBondContact O-N 3.23Å
66R82.2Confident89.4Confident230 Ų23074.8 Ų74.887%0.86836%0.364SS*.THydrogen-bonded Turntrans59.225.2-172.5-59.9-172.9177.2-1341.3113.7L62 I63 R64L62-R66 PolarHBondContact O-N 2.84Å; I63-R66 WeakPolarHBondContact O-CA 3.36Å; I63-R66 PolarHBondContact O-N 3.04Å; R64-R66 VanDerWaalsContact C-N 3.29Å
67R87.3Confident89.5Confident123 Ų12377 Ų7746%0.46438%0.377SS..  trans-104.358.7178.1-65.9179.364.3-174.40.5110.4L62 Q65 A69 D70 A71L62-R67 PolarHBondContact O-N 3.45Å; Q65-R67 HydrophobicContact CB-CG 4.32Å; Q65-R67 PolarHBondContact O-N 3.23Å; R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.48Å; R67-D70 HydrophobicContact CB-CB 4.21Å; R67-D70 IonicContact CZ-OD2 3.82Å; R67-D70 IonicContact NE-OD2 2.83Å; R67-D70 PolarHBondContact NE-OD2 3.23Å; R67-D70 IonicContact NH2-OD1 2.7Å; R67-D70 IonicContact NH2-OD2 3.86Å; R67-D70 PolarHBondContact NH2-OD2 3.49Å; R67-D70 PolarHBondContact O-N 2.92Å; R67-A71 PolarHBondContact O-N 2.95Å
68E88.3Confident89.6Confident135 Ų13575.6 Ų75.663%0.63137%0.372SS*.Hα-helixtrans-65-36.9-173.6-62.5178.8177.300112.6D70 A71 A72E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.23Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-A72 PolarHBondContact O-N 3.32Å; E68-A72 VanDerWaalsContact O-N 3.13Å
69A90.9Very high89.6Confident79 Ų7982.2 Ų82.265%0.65340%0.395SS*.Hα-helixtrans-59.9-38.7174.700000112.2R67 A72 L73R67-A69 VanDerWaalsContact C-N 3.34Å; R67-A69 PolarHBondContact O-N 3.48Å; A69-A72 PolarHBondContact O-N 2.95Å; A69-L73 PolarHBondContact O-N 3.4Å
70D90.2Very high89.8Confident52 Ų5284.9 Ų84.928%0.27841%0.407SS..Hα-helixtrans-73.3-29.6178.3-64-41.5000112.2L62 R67 E68 L73 F74L62-D70 HydrophobicContact CD2-CB 4.34Å; R67-D70 HydrophobicContact CB-CB 4.21Å; R67-D70 IonicContact CZ-OD2 3.82Å; R67-D70 IonicContact NE-OD2 2.83Å; R67-D70 PolarHBondContact NE-OD2 3.23Å; R67-D70 IonicContact NH2-OD1 2.7Å; R67-D70 IonicContact NH2-OD2 3.86Å; R67-D70 PolarHBondContact NH2-OD2 3.49Å; R67-D70 PolarHBondContact O-N 2.92Å; E68-D70 VanDerWaalsContact C-N 3.28Å; E68-D70 PolarHBondContact O-N 3.23Å; D70-L73 PolarHBondContact O-N 3.38Å; D70-F74 VanDerWaalsContact O-CB 3.27Å; D70-F74 WeakPolarHBondContact O-CB 3.32Å; D70-F74 PolarHBondContact O-N 2.94Å
71A90.8Very high89.8Confident6 Ų682.2 Ų82.25%0.0540%0.397CS..Hα-helixtrans-66.5-38.7172.900000111.8L62 I63 R67 E68 S75L62-A71 HydrophobicContact CB-CB 3.92Å; L62-A71 HydrophobicContact CD1-CB 4.41Å; I63-A71 HydrophobicContact CD1-CB 4.49Å; I63-A71 HydrophobicContact CG1-CB 3.88Å; R67-A71 PolarHBondContact O-N 2.95Å; E68-A71 WeakPolarHBondContact O-CB 3.31Å; E68-A71 PolarHBondContact O-N 3.41Å; A71-S75 PolarHBondContact O-N 2.86Å; A71-S75 VanDerWaalsContact O-N 3.15Å; A71-S75 PolarHBondContact O-OG 3.29Å
72A91.5Very high89.8Confident65 Ų6584.6 Ų84.654%0.53741%0.408SS..Hα-helixtrans-67.1-45.217300000111.4E68 A69 F74 S75 E76E68-A72 PolarHBondContact O-N 3.32Å; E68-A72 VanDerWaalsContact O-N 3.13Å; A69-A72 PolarHBondContact O-N 2.95Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.15Å; A72-S75 WeakPolarHBondContact O-CB 3.27Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.14Å; A72-E76 PolarHBondContact O-N 3.37Å
73L95.1Very high89.9Confident98 Ų9887.7 Ų87.751%0.51343%0.432SS..Hα-helixtrans-59.5-43.8175.3-178.763.1000111.8A69 D70 S75 E76 L77A69-L73 PolarHBondContact O-N 3.4Å; D70-L73 PolarHBondContact O-N 3.38Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.93Å; L73-E76 PolarHBondContact O-N 3.45Å; L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.44Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.21Å
74F94.6Very high89.7Confident32 Ų3289.5 Ų89.514%0.1444%0.439CS..Hα-helixtrans-58.1-40.2175.6173-95.4000111.8A55 I58 K59 L62 D70 A72 E76 L77 H78 L94A55-F74 HydrophobicContact CB-CE1 4.18Å; A55-F74 HydrophobicContact CB-CZ 4.38Å; I58-F74 HydrophobicContact CB-CE1 4.08Å; I58-F74 HydrophobicContact CB-CE2 4.3Å; I58-F74 HydrophobicContact CB-CZ 3.87Å; I58-F74 HydrophobicContact CD1-CE2 4.03Å; I58-F74 HydrophobicContact CD1-CZ 3.74Å; I58-F74 HydrophobicContact CG1-CZ 4.41Å; I58-F74 HydrophobicContact CG2-CD1 4.23Å; I58-F74 HydrophobicContact CG2-CD2 3.9Å; I58-F74 HydrophobicContact CG2-CE1 4.01Å; I58-F74 HydrophobicContact CG2-CE2 3.68Å; I58-F74 HydrophobicContact CG2-CG 4.17Å; I58-F74 HydrophobicContact CG2-CZ 3.73Å; K59-F74 HydrophobicContact CD-CD1 4.19Å; K59-F74 HydrophobicContact CD-CE1 4.49Å; K59-F74 HydrophobicContact CG-CD1 3.53Å; K59-F74 HydrophobicContact CG-CE1 3.87Å; L62-F74 HydrophobicContact CD1-CB 4.04Å; L62-F74 HydrophobicContact CD1-CG 4.43Å; D70-F74 VanDerWaalsContact O-CB 3.27Å; D70-F74 WeakPolarHBondContact O-CB 3.32Å; D70-F74 PolarHBondContact O-N 2.94Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.15Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 3.05Å; F74-L77 PolarHBondContact O-N 3.41Å; F74-H78 HydrophobicContact CE1-CB 4.41Å; F74-H78 HydrophobicContact CZ-CB 4.49Å; F74-H78 VanDerWaalsContact O-CB 3.29Å; F74-H78 WeakPolarHBondContact O-CB 3.41Å; F74-H78 PolarHBondContact O-N 3.06Å; F74-L94 HydrophobicContact CE2-CD2 4.25Å; F74-L94 HydrophobicContact CZ-CD2 4.34Å
75S92.4Very high89.3Confident50 Ų5087 Ų8735%0.3545%0.448SS..Hα-helixtrans-61.4-40.7178.3-58.30000111.9K59 A71 A72 L73 R79K59-S75 VanDerWaalsContact CD-OG 3.26Å; K59-S75 WeakPolarHBondContact CD-OG 3.49Å; A71-S75 PolarHBondContact O-N 2.86Å; A71-S75 VanDerWaalsContact O-N 3.15Å; A71-S75 PolarHBondContact O-OG 3.29Å; A72-S75 WeakPolarHBondContact O-CB 3.27Å; A72-S75 PolarHBondContact O-N 3.38Å; A72-S75 VanDerWaalsContact O-N 3.14Å; L73-S75 VanDerWaalsContact C-N 3.27Å; L73-S75 PolarHBondContact O-N 2.93Å; S75-R79 PolarHBondContact O-N 3.34Å
76E93.8Very high89.3Confident65 Ų6589.7 Ų89.730%0.30447%0.468SS..Hα-helixtrans-70.8-40.2176.2-179.456.1-160.700112.2A72 L73 F74 H78 R79 K80A72-E76 PolarHBondContact O-N 3.37Å; L73-E76 PolarHBondContact O-N 3.45Å; F74-E76 VanDerWaalsContact C-N 3.31Å; F74-E76 PolarHBondContact O-N 3.05Å; E76-H78 VanDerWaalsContact C-N 3.34Å; E76-H78 PolarHBondContact O-N 3.15Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 2.9Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.13Å; E76-R79 IonicContact OE2-CZ 3.48Å; E76-R79 IonicContact OE2-NE 3.38Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 2.95Å; E76-R79 PolarHBondContact OE2-NH2 2.82Å; E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.2Å; E76-K80 WeakPolarHBondContact OE1-CE 3.44Å
77L92.9Very high89.4Confident96 Ų9681.9 Ų81.950%0.50344%0.444SS..Hα-helixtrans-63.6-40.2174.7-68.7175.2000111.8L73 F74 K80 L81L73-L77 HydrophobicContact CG-CD1 4.12Å; L73-L77 HydrophobicContact CG-CG 4.44Å; L73-L77 WeakPolarHBondContact O-CG 3.41Å; L73-L77 PolarHBondContact O-N 3.21Å; F74-L77 PolarHBondContact O-N 3.41Å; L77-K80 PolarHBondContact O-N 3.11Å; L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 2.98Å
78H90.9Very high89.1Confident35 Ų3585.4 Ų85.416%0.16246%0.462CS..Hα-helixtrans-63.4-42.2175.8-171.3-103.5000111.1E51 F74 E76 L81 H82E51-H78 IonicContact OE1-CE1 3.65Å; E51-H78 PolarHBondContact OE1-CE1 3.24Å; E51-H78 IonicContact OE1-NE2 2.76Å; E51-H78 PolarHBondContact OE1-NE2 3.47Å; F74-H78 HydrophobicContact CE1-CB 4.41Å; F74-H78 HydrophobicContact CZ-CB 4.49Å; F74-H78 VanDerWaalsContact O-CB 3.29Å; F74-H78 WeakPolarHBondContact O-CB 3.41Å; F74-H78 PolarHBondContact O-N 3.06Å; E76-H78 VanDerWaalsContact C-N 3.34Å; E76-H78 PolarHBondContact O-N 3.15Å; H78-L81 PolarHBondContact O-N 3.27Å; H78-H82 WeakPolarHBondContact O-CB 3.37Å; H78-H82 PolarHBondContact O-N 3.13Å
79R90.6Very high89Confident160 Ų16083.4 Ų83.460%0.60446%0.456SS*.Hα-helixtrans-61.9-44.2174.3-168-178.472.7103.63.8112S75 E76 H82 S83S75-R79 PolarHBondContact O-N 3.34Å; E76-R79 PolarHBondContact O-N 2.91Å; E76-R79 IonicContact OE1-CZ 3.55Å; E76-R79 IonicContact OE1-NE 2.9Å; E76-R79 IonicContact OE1-NH2 3.15Å; E76-R79 PolarHBondContact OE1-NH2 3.13Å; E76-R79 IonicContact OE2-CZ 3.48Å; E76-R79 IonicContact OE2-NE 3.38Å; E76-R79 PolarHBondContact OE2-NE 3.4Å; E76-R79 IonicContact OE2-NH2 2.95Å; E76-R79 PolarHBondContact OE2-NH2 2.82Å; R79-H82 PolarHBondContact O-N 3.36Å; R79-S83 PolarHBondContact O-N 2.9Å
80K90.8Very high88.9Confident106 Ų10680.8 Ų80.846%0.46143%0.43SS..Hα-helixtrans-62.5-46.4175.5-73.9178.1180178.70111.7E76 L77 H82 S83 Q84E76-K80 WeakPolarHBondContact O-CG 3.47Å; E76-K80 PolarHBondContact O-N 3.2Å; E76-K80 WeakPolarHBondContact OE1-CE 3.44Å; L77-K80 PolarHBondContact O-N 3.11Å; K80-H82 PolarHBondContact O-N 3.12Å; K80-S83 PolarHBondContact O-N 3.45Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.9Å; K80-Q84 WeakPolarHBondContact O-CG 3.32Å; K80-Q84 PolarHBondContact O-N 3.27Å
81L88.7Confident88.9Confident48 Ų4879.6 Ų79.625%0.25142%0.421SS..Hα-helixtrans-59.8-36.1174.8-174.464.1000111.4L77 H78 L87L77-L81 WeakPolarHBondContact O-CB 3.46Å; L77-L81 PolarHBondContact O-N 2.98Å; H78-L81 PolarHBondContact O-N 3.27Å; L81-L87 HydrophobicContact CD1-CD2 4.22Å; L81-L87 HydrophobicContact CD2-CD2 4.46Å
82H86.1Confident88.7Confident105 Ų10581.6 Ų81.649%0.48644%0.435SS..Hα-helixtrans-68.1-38.8177.9-155.588.3000112.2E51 H78 R79 K80 K90E51-H82 IonicContact OE1-CE1 3.98Å; E51-H82 IonicContact OE1-ND1 3.08Å; E51-H82 PolarHBondContact OE1-ND1 2.99Å; H78-H82 WeakPolarHBondContact O-CB 3.37Å; H78-H82 PolarHBondContact O-N 3.13Å; R79-H82 PolarHBondContact O-N 3.36Å; K80-H82 PolarHBondContact O-N 3.12Å; H82-K90 PolarHBondContact ND1-NZ 2.83Å; H82-K90 PolarHBondContact O-NZ 3.39Å
83S89.1Confident88.6Confident93 Ų9381.7 Ų81.765%0.6543%0.426SS*.Hα-helixtrans-71.3-29-177.871.50000115.5R79 K80 G85R79-S83 PolarHBondContact O-N 2.9Å; K80-S83 PolarHBondContact O-N 3.45Å; K80-S83 VanDerWaalsContact O-N 3.15Å; K80-S83 PolarHBondContact O-OG 2.9Å; S83-G85 PolarHBondContact O-N 3.4Å
84Q84.9Confident88.4Confident126 Ų12677.5 Ų77.559%0.58940%0.404SS*.THydrogen-bonded Turntrans-78.4-15.6-171.5-73.2175.1-11.200114.4K80 V86K80-Q84 WeakPolarHBondContact O-CG 3.32Å; K80-Q84 PolarHBondContact O-N 3.27Å; Q84-V86 HydrophobicContact CB-CG2 4.29Å; Q84-V86 PolarHBondContact O-N 3.07Å
85G79.3Confident88.2Confident60 Ų6080.6 Ų80.662%0.61942%0.415SS*.  trans63.4-7.9172.900000117.4S83 L87S83-G85 PolarHBondContact O-N 3.4Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.62Å
86V85.9Confident88.1Confident119 Ų11982.5 Ų82.572%0.72142%0.421SS*.  trans-70.6-27.9-177.2-67.20000113.5Q84Q84-V86 HydrophobicContact CB-CG2 4.29Å; Q84-V86 PolarHBondContact O-N 3.07Å
87L83.3Confident87.9Confident67 Ų6784.1 Ų84.135%0.35143%0.431SS..  trans-97.9112.1-173.6-154.875.8000111.1L81 G85 K90 I93L81-L87 HydrophobicContact CD1-CD2 4.22Å; L81-L87 HydrophobicContact CD2-CD2 4.46Å; G85-L87 VanDerWaalsContact C-N 3.35Å; G85-L87 PolarHBondContact O-N 2.62Å; L87-K90 HydrophobicContact CB-CG 4.21Å; L87-K90 HydrophobicContact CD2-CG 4.1Å; L87-K90 HydrophobicContact CG-CG 4.48Å; L87-I93 HydrophobicContact CD2-CG2 3.6Å
88K82Confident87.7Confident197 Ų19780.4 Ų80.486%0.85741%0.412SS*.SBendtrans-72.9-43-178.7-65.2-174178.1-177.10113.3
89N84.8Confident87.5Confident93 Ų9381.2 Ų81.250%0.49742%0.421SS..  trans-113.170.8-175.7-68.1-41.5000111.2W91 S92N89-W91 VanDerWaalsContact C-N 3.35Å; N89-S92 PolarHBondContact O-N 3.05Å
90K89.1Confident87.3Confident24 Ų2479.7 Ų79.710%0.10443%0.425CS..Hα-helixtrans-62.5-40.5179.3-65.4168-178.6165.90112.4E51 H82 L87 S92 I93 L94E51-K90 HydrophobicContact CG-CB 4.4Å; E51-K90 WeakPolarHBondContact OE2-CB 3.36Å; E51-K90 WeakPolarHBondContact OE2-CD 3.29Å; H82-K90 PolarHBondContact ND1-NZ 2.83Å; H82-K90 PolarHBondContact O-NZ 3.39Å; L87-K90 HydrophobicContact CB-CG 4.21Å; L87-K90 HydrophobicContact CD2-CG 4.1Å; L87-K90 HydrophobicContact CG-CG 4.48Å; K90-S92 PolarHBondContact O-N 2.6Å; K90-I93 WeakPolarHBondContact O-CG2 3.47Å; K90-I93 PolarHBondContact O-N 2.93Å; K90-L94 WeakPolarHBondContact O-CG 3Å; K90-L94 PolarHBondContact O-N 3.05Å; K90-L94 VanDerWaalsContact O-N 3.15Å
91W90.2Very high86.9Confident26 Ų2677.6 Ų77.610%0.09842%0.423CS..Hα-helixtrans-55.2-48176.7175.883.4000112.9V47 R49 V54 N89 I93 L94 Y95V47-W91 HydrophobicContact CB-CZ2 4.48Å; V47-W91 HydrophobicContact CG1-CZ2 4.25Å; R49-W91 HydrophobicContact CB-CB 4.39Å; R49-W91 HydrophobicContact CB-CD2 3.94Å; R49-W91 HydrophobicContact CB-CE3 4.14Å; R49-W91 HydrophobicContact CB-CG 4.05Å; R49-W91 HydrophobicContact CG-CD2 4.07Å; R49-W91 HydrophobicContact CG-CE3 3.77Å; R49-W91 HydrophobicContact CG-CZ3 4.06Å; V54-W91 VanDerWaalsContact CG2-NE1 3.33Å; N89-W91 VanDerWaalsContact C-N 3.35Å; W91-I93 VanDerWaalsContact C-N 3.35Å; W91-I93 PolarHBondContact O-N 3.33Å; W91-L94 PolarHBondContact O-N 3.47Å; W91-Y95 HydrophobicContact CZ2-CD2 4.16Å; W91-Y95 HydrophobicContact CZ2-CG 4.26Å; W91-Y95 VanDerWaalsContact O-CB 3.27Å; W91-Y95 WeakPolarHBondContact O-CB 3.25Å; W91-Y95 PolarHBondContact O-N 3.49Å
92S86.9Confident86.2Confident49 Ų4982 Ų8234%0.34344%0.443SS..Hα-helixtrans-63.2-39.5-175.2-59.90000112.6N89 K90 L96N89-S92 PolarHBondContact O-N 3.05Å; K90-S92 PolarHBondContact O-N 2.6Å; S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 2.89Å
93I89.7Confident84.9Confident67 Ų6780.2 Ų80.234%0.34444%0.437SS..Hα-helixtrans-71.3-41.8178.7-167.963.7000111.2L87 K90 W91 Y95 L96 L97L87-I93 HydrophobicContact CD2-CG2 3.6Å; K90-I93 WeakPolarHBondContact O-CG2 3.47Å; K90-I93 PolarHBondContact O-N 2.93Å; W91-I93 VanDerWaalsContact C-N 3.35Å; W91-I93 PolarHBondContact O-N 3.33Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.25Å; I93-L96 PolarHBondContact O-N 3.39Å; I93-L97 HydrophobicContact CG1-CD1 4.16Å; I93-L97 HydrophobicContact CG1-CG 4.49Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 2.99Å
94L90.8Very high83.1Confident10 Ų1082 Ų825%0.05245%0.446CS..Hα-helixtrans-65.7-40.2178.9-68.3173.8000111E51 V54 I58 F74 K90 W91 L97 L98E51-L94 HydrophobicContact CG-CD1 4.24Å; V54-L94 HydrophobicContact CG1-CB 3.76Å; I58-L94 HydrophobicContact CD1-CB 4.15Å; I58-L94 HydrophobicContact CD1-CD2 4.18Å; F74-L94 HydrophobicContact CE2-CD2 4.25Å; F74-L94 HydrophobicContact CZ-CD2 4.34Å; K90-L94 WeakPolarHBondContact O-CG 3Å; K90-L94 PolarHBondContact O-N 3.05Å; K90-L94 VanDerWaalsContact O-N 3.15Å; W91-L94 PolarHBondContact O-N 3.47Å; L94-L97 PolarHBondContact O-N 3.33Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.03Å
95Y89.8Confident81.3Confident97 Ų9786.2 Ų86.238%0.3846%0.456SS..Hα-helixtrans-64.1-45.7177.1-172.3-94.9000111.3V54 W91 I93 L98 S99V54-Y95 HydrophobicContact CG2-CD2 4.12Å; W91-Y95 HydrophobicContact CZ2-CD2 4.16Å; W91-Y95 HydrophobicContact CZ2-CG 4.26Å; W91-Y95 VanDerWaalsContact O-CB 3.27Å; W91-Y95 WeakPolarHBondContact O-CB 3.25Å; W91-Y95 PolarHBondContact O-N 3.49Å; I93-Y95 VanDerWaalsContact C-N 3.33Å; I93-Y95 PolarHBondContact O-N 3.25Å; Y95-L98 PolarHBondContact O-N 3.37Å; Y95-S99 PolarHBondContact O-N 3.07Å; Y95-S99 PolarHBondContact O-OG 3.03Å
96L89.5Confident79.9Confident90 Ų9089.3 Ų89.347%0.47145%0.449SS..Hα-helixtrans-60.3-47.7175.6179.266.3000111.8S92 I93 L98 S99 L100S92-L96 WeakPolarHBondContact O-CB 3.34Å; S92-L96 PolarHBondContact O-N 2.89Å; I93-L96 PolarHBondContact O-N 3.39Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.35Å; L96-S99 PolarHBondContact O-N 3.45Å; L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.26Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.24Å
97L90.1Very high77.8Confident98 Ų9891.5 Ų91.551%0.51345%0.452SS..Hα-helixtrans-61.9-38.7179.2-71.5172.6000111.9I93 L94 L100 S101I93-L97 HydrophobicContact CG1-CD1 4.16Å; I93-L97 HydrophobicContact CG1-CG 4.49Å; I93-L97 WeakPolarHBondContact O-CB 3.42Å; I93-L97 VanDerWaalsContact O-CG 3.26Å; I93-L97 WeakPolarHBondContact O-CG 3.43Å; I93-L97 PolarHBondContact O-N 2.99Å; L94-L97 PolarHBondContact O-N 3.33Å; L97-L100 PolarHBondContact O-N 3.38Å; L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 2.97Å
98L88.8Confident75.8Confident19 Ų1993.3 Ų93.310%0.09947%0.468CS..Hα-helixtrans-62.5-49.7173.7177.762.6000111V54 K57 I58 L94 Y95 L96 L100 S101 E102V54-L98 HydrophobicContact CG1-CD2 4.38Å; K57-L98 HydrophobicContact CB-CD2 3.93Å; K57-L98 HydrophobicContact CD-CD2 4.04Å; I58-L98 HydrophobicContact CD1-CB 4.42Å; I58-L98 HydrophobicContact CG1-CB 4.07Å; I58-L98 HydrophobicContact CG1-CD1 3.95Å; I58-L98 HydrophobicContact CG1-CD2 4.36Å; I58-L98 HydrophobicContact CG1-CG 4.34Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 3.03Å; Y95-L98 PolarHBondContact O-N 3.37Å; L96-L98 VanDerWaalsContact C-N 3.29Å; L96-L98 PolarHBondContact O-N 3.35Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.07Å; L98-S101 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-OG 3.33Å; L98-E102 PolarHBondContact O-N 3.26Å
99S86.8Confident73.6Confident51 Ų5187.5 Ų87.536%0.35745%0.452SS..Hα-helixtrans-61.3-35.8178.4-64.50000113.2Y95 L96 S101Y95-S99 PolarHBondContact O-N 3.07Å; Y95-S99 PolarHBondContact O-OG 3.03Å; L96-S99 PolarHBondContact O-N 3.45Å; S99-S101 VanDerWaalsContact C-N 3.31Å
100L86.3Confident71.5Confident129 Ų12993.4 Ų93.468%0.67547%0.473SS*.Hα-helixtrans-74.5-21.3175.6-67.1175.9000113.1L96 L97 L98 E102L96-L100 HydrophobicContact CD1-CD1 4.19Å; L96-L100 HydrophobicContact CD1-CG 4.26Å; L96-L100 HydrophobicContact CG-CD1 4.01Å; L96-L100 HydrophobicContact CG-CG 4.43Å; L96-L100 VanDerWaalsContact O-CG 3.31Å; L96-L100 WeakPolarHBondContact O-CG 3.44Å; L96-L100 PolarHBondContact O-N 3.24Å; L97-L100 PolarHBondContact O-N 3.38Å; L98-L100 VanDerWaalsContact C-N 3.3Å; L98-L100 PolarHBondContact O-N 3.07Å; L100-E102 VanDerWaalsContact C-N 3.35Å
101S82.5Confident69.1Low62 Ų6297.3 Ų97.343%0.43450%0.499SS..Hα-helixtrans-81.8-12.6177.975.80000113.7L97 L98 S99 D103L97-S101 WeakPolarHBondContact O-CB 3.44Å; L97-S101 PolarHBondContact O-N 2.97Å; L98-S101 PolarHBondContact O-N 3.45Å; L98-S101 PolarHBondContact O-OG 3.33Å; S99-S101 VanDerWaalsContact C-N 3.31Å; S101-D103 PolarHBondContact O-N 3.27Å; S101-D103 VanDerWaalsContact O-N 3.14Å
102E75.4Confident66.8Low140 Ų14099.6 Ų99.665%0.65452%0.519SS*.SBendtrans-65.4111.1174.8-69.6-174.7170.200109.7L98 L100 P104L98-E102 PolarHBondContact O-N 3.26Å; L100-E102 VanDerWaalsContact C-N 3.35Å; E102-P104 VanDerWaalsContact O-CD 3.27Å; E102-P104 WeakPolarHBondContact O-CD 3.4Å
103D56.8Low64.3Low68 Ų68101.5 Ų101.536%0.36453%0.532SS..  trans-70.7115.8179.9-173.5-10.9000110.1S101 R105 R106S101-D103 PolarHBondContact O-N 3.27Å; S101-D103 VanDerWaalsContact O-N 3.14Å; D103-R105 PolarHBondContact O-N 3.37Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 PolarHBondContact OD1-N 3.12Å; D103-R105 IonicContact OD1-NE 3.63Å; D103-R106 HydrophobicContact CB-CG 4.24Å; D103-R106 PolarHBondContact O-N 3.01Å
104P53.1Low62.1Low129 Ų129105.6 Ų105.684%0.83854%0.544SS*.THydrogen-bonded Turntrans-64.7-11.7179.225.4-33.1000113.4E102E102-P104 VanDerWaalsContact O-CD 3.27Å; E102-P104 WeakPolarHBondContact O-CD 3.4Å
105R46.5Very low59.8Low215 Ų215107.9 Ų107.981%0.81156%0.564SS**THydrogen-bonded Turntrans-89.7-6.8176.5-61.7-176-68.3-173.6-2.3113.8D103 Q107D103-R105 PolarHBondContact O-N 3.37Å; D103-R105 WeakPolarHBondContact OD1-CB 3.44Å; D103-R105 PolarHBondContact OD1-N 3.12Å; D103-R105 IonicContact OD1-NE 3.63Å; R105-Q107 PolarHBondContact O-N 3.31Å; R105-Q107 VanDerWaalsContact O-N 3.12Å
106R50Low57.7Low125 Ų125106.8 Ų106.847%0.47257%0.567SS.*SBendtrans-77.298.9168.8-80.4174.4169.7-104.54.6108.4R64 D103R64-R106 VanDerWaalsContact NH2-NH2 3.1Å; D103-R106 HydrophobicContact CB-CG 4.24Å; D103-R106 PolarHBondContact O-N 3.01Å
107Q40.4Very low55.7Low166 Ų166108.6 Ų108.678%0.77658%0.577SS**  trans-41.5132.1162.5-75.2-73.5-0.300108.7R105 S109R105-Q107 PolarHBondContact O-N 3.31Å; R105-Q107 VanDerWaalsContact O-N 3.12Å; Q107-S109 VanDerWaalsContact C-N 3.26Å; Q107-S109 PolarHBondContact O-N 3.04Å
108P42.7Very low53.4Low105 Ų105111.2 Ų111.268%0.68259%0.585SS**  trans-6099.917224.7-31000106.1K110P108-K110 PolarHBondContact O-N 2.94Å; P108-K110 VanDerWaalsContact O-N 3.14Å
109S34.8Very low51.3Low74 Ų74111.4 Ų111.452%0.51759%0.589SS.*  trans-51.5129.8170.966.30000105.3Q107 V111 S112Q107-S109 VanDerWaalsContact C-N 3.26Å; Q107-S109 PolarHBondContact O-N 3.04Å; S109-V111 PolarHBondContact O-N 3.36Å; S109-S112 PolarHBondContact O-N 2.78Å
110K41.2Very low49.7Very low217 Ų217115.3 Ų115.394%0.94360%0.601SS**THydrogen-bonded Turntrans-58.411.1-179.1-68.5177.8176.8177.10113.9P108P108-K110 PolarHBondContact O-N 2.94Å; P108-K110 VanDerWaalsContact O-N 3.14Å
111V39Very low47.9Very low107 Ų107110.1 Ų110.165%0.64858%0.577SS**THydrogen-bonded Turntrans-107.5-9.7179.8-159.80000111.7S109 S113S109-V111 PolarHBondContact O-N 3.36Å; V111-S113 VanDerWaalsContact C-N 3.26Å; V111-S113 PolarHBondContact O-N 3.22Å; V111-S113 VanDerWaalsContact O-N 3.15Å
112S40.8Very low46.2Very low74 Ų74112.3 Ų112.352%0.51758%0.583SS.*THydrogen-bonded Turntrans-89.139.1-178.6-164.90000114S109S109-S112 PolarHBondContact O-N 2.78Å
113S35.8Very low45Very low88 Ų88109.4 Ų109.462%0.61558%0.577SS**THydrogen-bonded Turntrans-91.2-9.9170.1-136.80000112.6V111V111-S113 VanDerWaalsContact C-N 3.26Å; V111-S113 PolarHBondContact O-N 3.22Å; V111-S113 VanDerWaalsContact O-N 3.15Å
114Y42.1Very low44.5Very low154 Ų154113.2 Ų113.260%0.60459%0.586SS**SBendtrans-88.3-17.6-179.8-63.4-79.4000113.7T116 L117 F118Y114-T116 VanDerWaalsContact C-N 3.28Å; Y114-T116 PolarHBondContact O-N 3.31Å; Y114-L117 HydrophobicContact CD1-CD1 4.43Å; Y114-L117 PolarHBondContact O-N 3.29Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; Y114-F118 HydrophobicContact CD1-CE2 4.37Å; Y114-F118 WeakPolarHBondContact O-CD2 2.98Å; Y114-F118 PolarHBondContact O-N 2.72Å
115A43Very low44.1Very low57 Ų57114.3 Ų114.347%0.47159%0.585SS.*Hα-helixtrans-67-30.9176.200000112.5L117 A119A115-L117 PolarHBondContact O-N 3.13Å; A115-A119 PolarHBondContact O-N 3.06Å
116T46.8Very low44Very low74 Ų74108 Ų10845%0.45458%0.579SS.*Hα-helixtrans-62.3-31.4171.2-46.50000111.8Y114 Q120Y114-T116 VanDerWaalsContact C-N 3.28Å; Y114-T116 PolarHBondContact O-N 3.31Å; T116-Q120 VanDerWaalsContact CG2-NE2 3.31Å; T116-Q120 VanDerWaalsContact O-CG 3.29Å; T116-Q120 WeakPolarHBondContact O-CG 3.36Å; T116-Q120 PolarHBondContact O-OE1 3.02Å; T116-Q120 VanDerWaalsContact O-OE1 3.14Å
117L46.3Very low43.6Very low128 Ų128107.5 Ų107.567%0.6758%0.582SS**Hα-helixtrans-90.8-28-174.1-69.9171.9000114.2Y114 A115Y114-L117 HydrophobicContact CD1-CD1 4.43Å; Y114-L117 PolarHBondContact O-N 3.29Å; Y114-L117 VanDerWaalsContact O-N 3.1Å; A115-L117 PolarHBondContact O-N 3.13Å
118F42.6Very low43.4Very low154 Ų154105.4 Ų105.468%0.67559%0.585SS**Hα-helixtrans-115.2-4.9-170.2-69.4-70.6000115.4Y114Y114-F118 HydrophobicContact CD1-CE2 4.37Å; Y114-F118 WeakPolarHBondContact O-CD2 2.98Å; Y114-F118 PolarHBondContact O-N 2.72Å
119A45.2Very low43Very low23 Ų23104.9 Ų104.919%0.1958%0.58CS.*SBendtrans-145.111.4-171.900000114.3K57 A115 A121K57-A119 HydrophobicContact CD-CB 4.49Å; K57-A119 WeakPolarHBondContact CE-O 3.48Å; K57-A119 PolarHBondContact NZ-O 2.66Å; A115-A119 PolarHBondContact O-N 3.06Å; A119-A121 PolarHBondContact O-N 3.32Å
120Q52Low43Very low132 Ų132107.1 Ų107.162%0.61759%0.593SS**PPolyproline II helixtrans-72.7120.1168.3-73.6-174.6-25.100108T116T116-Q120 VanDerWaalsContact CG2-NE2 3.31Å; T116-Q120 VanDerWaalsContact O-CG 3.29Å; T116-Q120 WeakPolarHBondContact O-CG 3.36Å; T116-Q120 PolarHBondContact O-OE1 3.02Å; T116-Q120 VanDerWaalsContact O-OE1 3.14Å
121A48.4Very low42.5Very low20 Ų20106.6 Ų106.617%0.16559%0.587CS.*PPolyproline II helixtrans-65.7143.317100000108.2V47 L53 A119V47-A121 HydrophobicContact CB-CB 4.48Å; V47-A121 HydrophobicContact CG1-CB 3Å; L53-A121 HydrophobicContact CD2-CB 3.97Å; A119-A121 PolarHBondContact O-N 3.32Å
122L46.3Very low42.1Very low108 Ų108112.1 Ų112.157%0.56560%0.598SS**PPolyproline II helixtrans-59.2134.3-164.8-69.2166000110.2E48 R124E48-L122 HydrophobicContact CB-CB 4.49Å; E48-L122 HydrophobicContact CG-CB 4.09Å; E48-L122 PolarHBondContact N-O 3.36Å; E48-L122 VanDerWaalsContact N-O 3.07Å; L122-R124 PolarHBondContact O-N 3.42Å
123P51.1Low41.6Very low80 Ų80119 Ų11952%0.51961%0.614SS.*BIsolated β-bridgetrans-54.5130.7168-23.733.7000109.3D125P123-D125 PolarHBondContact O-N 3.07Å
124R45.6Very low41.4Very low147 Ų147119 Ų11956%0.55562%0.618SS**G310 helixtrans-65.7-11.2-176.3-149.4-165.2-179.6-146.7-2.3113.3T46 L122 A126 H127T46-R124 PolarHBondContact O-N 3.06Å; L122-R124 PolarHBondContact O-N 3.42Å; R124-A126 PolarHBondContact O-N 3.28Å; R124-H127 PolarHBondContact O-N 3.12Å
125D46.4Very low40.7Very low152 Ų152122.6 Ų122.681%0.81363%0.631SS**G310 helixtrans-64.5-9.6-177.5-54-40.7000113.9P123 H127P123-D125 PolarHBondContact O-N 3.07Å; D125-H127 VanDerWaalsContact C-N 3.34Å
126A43.4Very low40.1Very low83 Ų83125.2 Ų125.269%0.68664%0.643SS**G310 helixtrans-78-11.6174.900000114.4R124R124-A126 PolarHBondContact O-N 3.28Å
127H41.8Very low39.4Very low114 Ų114130.9 Ų130.953%0.52867%0.665SS.*SBendtrans-102.7103.7178.6-67.5-70.7000111.1E48 R124 D125 T129E48-H127 IonicContact OE1-CD2 3.29Å; E48-H127 IonicContact OE1-CE1 2.69Å; E48-H127 IonicContact OE1-NE2 2.68Å; E48-H127 PolarHBondContact OE1-NE2 2.79Å; R124-H127 PolarHBondContact O-N 3.12Å; D125-H127 VanDerWaalsContact C-N 3.34Å; H127-T129 PolarHBondContact O-N 3.26Å
128S35.3Very low38.7Very low122 Ų122131.1 Ų131.185%0.85367%0.671SS**  trans-63.584.3174.7-55.30000112.3
129T36Very low38.1Very low94 Ų94131.6 Ų131.658%0.57768%0.68SS**  trans-147.9103.2160.130.80000110.5H127 Y131H127-T129 PolarHBondContact O-N 3.26Å; T129-Y131 PolarHBondContact O-N 2.76Å; T129-Y131 VanDerWaalsContact O-N 3.1Å
130P34.9Very low37.4Very low122 Ų122135.9 Ų135.979%0.79271%0.706SS**  trans-79.293.4171.530.6-28.4000109.1Y132P130-Y132 PolarHBondContact O-N 3.1Å
131Y29.7Very low36.2Very low206 Ų206138 Ų13881%0.80872%0.721SS**  trans-85.495.1164.3-99.6-86000109T129 Y133T129-Y131 PolarHBondContact O-N 2.76Å; T129-Y131 VanDerWaalsContact O-N 3.1Å; Y131-Y133 PolarHBondContact O-N 3.37Å
132Y29.7Very low35Very low223 Ų223141.6 Ų141.688%0.87574%0.744SS**  trans-69.7110.3166.4-105.9-94.4000109P130P130-Y132 PolarHBondContact O-N 3.1Å
133Y30.5Very low34.3Very low219 Ų219147.5 Ų147.586%0.85976%0.761SS**  trans-91113.1154.7-113.7-86.1000107.7Y131 R135Y131-Y133 PolarHBondContact O-N 3.37Å; Y133-R135 PolarHBondContact O-N 3.14Å
134A31.8Very low33.2Very low86 Ų86151.6 Ų151.671%0.71177%0.773SS**PPolyproline II helixtrans-58.8123.2172.500000109.8
135R27Very low32.2Very low231 Ų231151 Ų15187%0.87278%0.781SS**PPolyproline II helixtrans-66.4125.5171.6-177.2179.7-172.4165.52.1109.1Y133 Q137Y133-R135 PolarHBondContact O-N 3.14Å; R135-Q137 PolarHBondContact O-N 2.94Å
136P30.3Very low31.2Very low112 Ų112153.9 Ų153.973%0.72778%0.78SS**PPolyproline II helixtrans-65.4120.7169.7-16.429.7000109.4T138P136-T138 PolarHBondContact O-N 3.22Å
137Q33.4Very low30.4Very low193 Ų193155.1 Ų155.190%0.90278%0.784SS**PPolyproline II helixtrans-72.3119.2171.3-67.3-173.1-3.800109.2R135R135-Q137 PolarHBondContact O-N 2.94Å
138T30.4Very low29.7Very low132 Ų132154.8 Ų154.881%0.8180%0.801SS**  trans-105.4100.4161.853.50000109.3P136P136-T138 PolarHBondContact O-N 3.22Å
139L30.6Very low29.2Very low165 Ų165158 Ų15886%0.86480%0.803SS**  trans53.2144.6142.4-69.5165000122.4
140P29.9Very low28.7Very low113 Ų113159.3 Ų159.373%0.73482%0.815SS**  trans-91143.1-168.136.4-31.5000113
141L26.9Very low28.3Very low177 Ų177158.2 Ų158.293%0.92782%0.816SS**  trans-93.9109.4165-91.2159.6000109
142S25.1Very low28.2Very low94 Ų94157.5 Ų157.566%0.65782%0.82SS**  trans-68.9127.6168.9-179.50000110.1
143Y30.3Very low28Very low233 Ų233152.3 Ų152.391%0.91482%0.816SS**  trans-133.6120.7149.7-111-88000106.7
144Q29.3Very low28Very low166 Ų166147.8 Ų147.878%0.77682%0.817SS**  trans-105.2122-179.9178.3157.6-13.800107.6
145D23.1Very low27.8Very low134 Ų134147.7 Ų147.772%0.71783%0.825SS**  -161.9134.8120.2-138-9.2000115.1
146R25.9Very low27.8Very low213 Ų213142.2 Ų142.280%0.80482%0.822SS**  trans36.5115.7148.8-97.1169.5160.2172.8-6125.1
147S25.6Very low27.9Very low109 Ų109143.8 Ų143.876%0.76283%0.829SS**  67.2107.1124.759.20000121
148A28Very low27.6Very low106 Ų106138 Ų13888%0.87682%0.821SS**  -175.5132.2120.500000110.8
149Q25.4Very low27.6Very low191 Ų191137.6 Ų137.689%0.89382%0.824SS**  trans-81.7158.7175.8-71.9168-27.200112.2
150S25.8Very low27.6Very low121 Ų121135.6 Ų135.685%0.84682%0.823SS**  trans132.3141.9154.764.50000110.8
151A26.6Very low27.5Very low98 Ų98133.3 Ų133.381%0.8182%0.82SS**  cis-163.1156.5-12.800000106.8
152Q26.6Very low27.6Very low192 Ų192133.1 Ų133.190%0.89782%0.818SS**  trans-84.2151.8176.3-66.1170.8-23.700112.1
153S26.3Very low27.6Very low113 Ų113133.8 Ų133.879%0.7982%0.823SS**  trans-148.4109.4143.655.90000107
154S28.8Very low27.6Very low124 Ų124128 Ų12887%0.86782%0.817SS**  79.8116.974-750000113.7
155G27.6Very low27.7Very low85 Ų85128.3 Ų128.388%0.87682%0.822SS**  trans161.569.1169.500000113.2
156S28.2Very low27.9Very low116 Ų116124.9 Ų124.981%0.81182%0.818SS**  trans-96131.9170.9170.40000110.3
157V32.3Very low28Very low145 Ų145122.3 Ų122.388%0.87982%0.819SS**  trans-130.7108.1151.7-75.70000104.8
158G27.9Very low28Very low70 Ų70123 Ų12372%0.72282%0.822SS**  58.2113.39700000110.3
159S29.1Very low27.9Very low125 Ų125122 Ų12287%0.87482%0.815SS**  cis-165.215430.8179.60000108.3
160S31.7Very low28Very low123 Ų123120.7 Ų120.786%0.8681%0.813SS**  trans-114.4147.7168.6-69.70000109.9
161G26.9Very low28.1Very low65 Ų65120.1 Ų120.167%0.6781%0.809SS**  trans135.8145.8153.800000113.5
162I28.8Very low28.1Very low173 Ų173119 Ų11989%0.88781%0.807SS**  cis-173.8151.2-1.326168.9000105.6
163S25.5Very low28.9Very low108 Ų108115.8 Ų115.876%0.75580%0.803SS**  trans-76.3154.4165-52.90000111.6
164S30.3Very low28.9Very low112 Ų112115 Ų11578%0.78380%0.803SS**  trans81.2115.3141.1-50.70000120.9
165I30.6Very low29.5Very low172 Ų172115.1 Ų115.188%0.88280%0.801SS**  trans-23.1138.7132.8-63159.8000111.9
166G28.1Very low29.3Very low61 Ų61115.1 Ų115.163%0.62979%0.793SS**  cis176.3173.32.400000110.7
167L27.3Very low30Very low160 Ų160114.7 Ų114.784%0.83879%0.787SS**  trans76.7110162.5-81.488.2000121.7
168C26Very low29.8Very low122 Ų122116.4 Ų116.482%0.82479%0.786SS**  63.4133.4127.6-60.20000118.3
169A26.1Very low29.7Very low87 Ų87117 Ų11772%0.71978%0.779SS**  cis-169.2152.425.100000112.4
170L28.3Very low29.6Very low162 Ų162118.1 Ų118.185%0.84877%0.774SS**  trans68.6115.4141.7-89.691.1000124
171S26.5Very low29.7Very low110 Ų110119.1 Ų119.177%0.76977%0.769SS**  98116.6129.5-54.80000120.7
172G27.1Very low30.3Very low75 Ų75121.8 Ų121.877%0.77378%0.775SS**  trans-90.7-145.7173.400000114.3
173P42.8Very low30.2Very low124 Ų124116.7 Ų116.781%0.80577%0.765SS**  cis-137159.5-1639.1-21.4000116.6
174A26.9Very low30.3Very low95 Ų95121 Ų12179%0.78577%0.773SS**  trans55.7172.2144.900000121.8
175P41.5Very low30Very low127 Ų127120.1 Ų120.183%0.82577%0.767SS**  cis-131-177.6-10.228.4-4.1000115.6
176A24.2Very low29.7Very low86 Ų86119.1 Ų119.171%0.71176%0.763SS**  trans-68-152.1177.800000113.7
177P42.8Very low29.5Very low107 Ų107125.5 Ų125.570%0.69578%0.776SS**  cis-154.4-166.98.328.52.7000117.8
178Q27.8Very low29.3Very low181 Ų181122.2 Ų122.285%0.84677%0.772SS**  trans91.8141.6142.9-61.5-152.3-19.500119.9
179S25.3Very low29.9Very low82 Ų82122.6 Ų122.657%0.57377%0.774SS**  cis174.2142.75.2156.60000112.1
180L27.4Very low29.9Very low149 Ų149121.7 Ų121.778%0.7877%0.773SS**  trans53.8152133.2-53.3173.8000120.1
181L32.8Very low29.9Very low144 Ų144121.6 Ų121.675%0.75478%0.779SS**  cis-179.1-170.64.3-113.5176.9000108.7
182P40.5Very low30Very low121 Ų121119.3 Ų119.379%0.78677%0.772SS**  trans-131.2-166.6-135.145.9-25.7000116.5
183G25.5Very low29.9Very low66 Ų66123.7 Ų123.768%0.6878%0.778SS**  trans142.9132.8138.300000121.4
184Q28.3Very low29.1Very low199 Ų199123.2 Ų123.293%0.9378%0.776SS**  trans64.8168143.7-64.9-172.4-19.700123.4
185S23.3Very low29.1Very low93 Ų93126.2 Ų126.265%0.6578%0.778SS**  -169.8149-70.552.80000111
186N25.2Very low28.5Very low151 Ų151131.1 Ų131.181%0.80778%0.78SS**  trans66.1128.5153.6-69.4-3.4000124.6
187Q23.6Very low28.8Very low194 Ų194135 Ų13591%0.90778%0.784SS**  169152.8103.8-88.6-167.829.700114
188A23.9Very low28.1Very low91 Ų91137.2 Ų137.275%0.75279%0.785SS**  trans-89.2-161.4-179.200000111.9
189P37.3Very low28.1Very low131 Ų131136.3 Ų136.385%0.85179%0.785SS**  cis-145.4176.66.741-19.3000118.8
190G27Very low28.2Very low68 Ų68135.2 Ų135.270%0.70179%0.787SS**  trans126.4122.3132.700000122.9
191V29.3Very low28.4Very low160 Ų160134 Ų13497%0.9779%0.791SS**  trans80132.7150.2-161.10000118.3
192G27Very low28.5Very low62 Ų62138.3 Ų138.364%0.63980%0.797SS**  cis156.5117.81.100000111.4
193D26.5Very low28.4Very low166 Ų166140.4 Ų140.489%0.88880%0.801SS**  trans34.5129.6154.4-58.7-33.5000125.1
194C24.5Very low28.5Very low114 Ų114141.3 Ų141.377%0.7780%0.801SS**  153.7142.790.6-146.10000115.2
195L27.3Very low28.6Very low158 Ų158143.8 Ų143.883%0.82780%0.803SS**  trans78.8110.6155.3-123.185.8000121.5
196R29.6Very low28.9Very low230 Ų230144.9 Ų144.987%0.86881%0.806SS**  160.5126.5104.9-162173-173.2165.41113.1
197Q30.3Very low29.3Very low169 Ų169145.2 Ų145.279%0.7981%0.806SS**  trans-29.4161.6155.7-78.7165.6-23.300115.2
198Q27.1Very low29.6Very low152 Ų152142.5 Ų142.571%0.7180%0.803SS**  cis168.3158.3-7.7-174.4175.2-96.800104
199L29.4Very low29.8Very low163 Ų163142.3 Ų142.385%0.85380%0.801SS**  trans82.5138168.9-50165.6000115
200G26.5Very low29.2Very low59 Ų59144.2 Ų144.261%0.60881%0.805SS**  cis-179.4140.3400000106
201S32Very low29.4Very low124 Ų124149 Ų14987%0.86781%0.809SS**  61.3120.992.7-52.70000115.8
202R34.2Very low29.6Very low234 Ų234146.4 Ų146.488%0.88380%0.795SS**  trans-13.3148.6149.4-60.2176.2175.3-96.1-0.6116.4
203L38Very low29.5Very low165 Ų165148 Ų14886%0.86480%0.797SS**  169.1134.8120.2-85.9173.3000109.7
204A29.2Very low29.5Very low84 Ų84145 Ų14569%0.69479%0.789SS**  76130.1106.700000115.5
205W28.7Very low29.7Very low252 Ų252149.1 Ų149.196%0.95580%0.797SS**  trans-109.2121.1170.2-80.4109.9000110.8
206T29.6Very low29.6Very low116 Ų116145.7 Ų145.771%0.71279%0.791SS**  trans-147.3157.9159.245.70000109.4
207L33.9Very low29.4Very low157 Ų157140.8 Ų140.882%0.82279%0.787SS**  trans98.9142.6166.9-49.6175.6000114.6
208T30.2Very low29.3Very low137 Ų137138.9 Ų138.984%0.8479%0.787SS**  cis-161.2166.733-320000113.3
209A28.2Very low29.5Very low87 Ų87136.5 Ų136.572%0.71979%0.787SS**  trans-85.2174.9-175.400000116.6
210N25Very low29.6Very low172 Ų172138.5 Ų138.592%0.9279%0.789SS**  trans-156147.8141.3-116.7-2.4000113.8
211Q30.3Very low29.6Very low168 Ų168139.2 Ų139.279%0.78580%0.796SS**  trans-86.7-174.4-170.2-125.6-148.917.600114
212P34.1Very low29.6Very low105 Ų105140 Ų14068%0.68280%0.795SS**  cis-148.3167.135.737.5-12.6000121.8
213S24.5Very low30Very low96 Ų96134 Ų13467%0.67179%0.787SS**  trans32.4151.415072.30000123.8
214S26.8Very low29.5Very low104 Ų104131.5 Ų131.573%0.72778%0.783SS**  cis-17216935.7-50.10000114.1
215Q29.6Very low29.6Very low200 Ų200132.4 Ų132.494%0.93579%0.79SS**  trans100.6148.7154.2-68-170.20.600122.5
216A23.6Very low29.8Very low85 Ų85125.7 Ų125.770%0.70278%0.777SS**  trans-121.5165.3-144.900000115.3
217T26Very low29.8Very low128 Ų128126.1 Ų126.179%0.78578%0.784SS**  155.6127.6126.544.70000115.1
218T29Very low30Very low129 Ų129128.5 Ų128.579%0.79178%0.783SS**  trans43.2143.2142.270.10000121.5
219S30.9Very low29.9Very low101 Ų101130.2 Ų130.271%0.70679%0.786SS**  cis-174.61643.751.30000110.7
220K31.4Very low30.1Very low206 Ų206134.5 Ų134.590%0.89679%0.794SS**  trans98.594.9159.7-57.6-164.8178.8-1770121.2
221G26.3Very low30.7Very low73 Ų73132.8 Ų132.875%0.75379%0.79SS**  76.282.9109.900000123.6
222V31.6Very low30.7Very low142 Ų142136.7 Ų136.786%0.86180%0.797SS**  38.3153.1117-169.70000121.5
223P43.4Very low30.7Very low108 Ų108136.8 Ų136.870%0.70180%0.8SS**  cis-132.5159.5-14.127.7-6.8000118.3
224S27.9Very low31.2Very low112 Ų112141 Ų14178%0.78380%0.801SS**  34.2125.4127.1-153.40000123.2
225A30.2Very low31.6Very low103 Ų103148 Ų14885%0.85181%0.812SS**  trans-157116.8134.400000112.2
226V33.6Very low31.7Very low111 Ų111145.9 Ų145.967%0.67380%0.802SS**  trans-66137.7167.4158.80000110.5R228V226-R228 HydrophobicContact CG1-CG 3.89Å
227S29.8Very low32Very low124 Ų124145.5 Ų145.587%0.86781%0.806SS**  trans-131.5114153.8-1540000111.5
228R37.2Very low32Very low208 Ų208146.7 Ų146.779%0.78581%0.808SS**  trans-77148.2174.5-66.3167.3-105.2167.6-5.5108.4V226V226-R228 HydrophobicContact CG1-CG 3.89Å
229N29Very low32.5Very low172 Ų172146.7 Ų146.792%0.9281%0.808SS**  trans-138.9102.6148.7-96.2-16.5000109.9
230M32.6Very low32.6Very low177 Ų177145 Ų14587%0.87281%0.807SS**  trans-99.3141.5165.5-162.487.2158.800107.5
231T37Very low32.8Very low136 Ų136139.1 Ų139.183%0.83480%0.804SS**  trans-46.6140.9176.6-24.20000114.3
232R30.8Very low33.6Very low250 Ų250140.6 Ų140.694%0.94380%0.799SS**  trans-143.9135.7154.2-151.6175.9-172.7176.22.7112.3
233S32.8Very low34.4Very low107 Ų107140.2 Ų140.275%0.74879%0.789SS**  trans-90.8152.1-176.3178.10000113.2
234R35Very low35Very low184 Ų184143.1 Ų143.169%0.69479%0.793SS**  trans78.4118.1147.8-162.5171.2-175.1-119.51.8121E236R234-E236 IonicContact CZ-OE1 2.76Å; R234-E236 IonicContact CZ-OE2 3.71Å; R234-E236 IonicContact NE-OE1 3.86Å; R234-E236 IonicContact NH2-OE1 2.76Å; R234-E236 PolarHBondContact NH2-OE1 2.66Å; R234-E236 IonicContact NH2-OE2 3.88Å; R234-E236 PolarHBondContact NH2-OE2 3.1Å
235R35.4Very low36.8Very low252 Ų252139 Ų13995%0.95176%0.762SS**  -147.4137.8121.4-79.8-161.9-171.3-177.52.7111
236E32.9Very low38.8Very low156 Ų156138.3 Ų138.373%0.72975%0.747SS**  trans-73.2152.3179.4-76.4158.3159.900113.1R234R234-E236 IonicContact CZ-OE1 2.76Å; R234-E236 IonicContact CZ-OE2 3.71Å; R234-E236 IonicContact NE-OE1 3.86Å; R234-E236 IonicContact NH2-OE1 2.76Å; R234-E236 PolarHBondContact NH2-OE1 2.66Å; R234-E236 IonicContact NH2-OE2 3.88Å; R234-E236 PolarHBondContact NH2-OE2 3.1Å
237G29.1Very low40.9Very low76 Ų76136.6 Ų136.678%0.78473%0.732SS**  trans152.380.5160.400000116.6
238D26.8Very low43.3Very low153 Ų153132.2 Ų132.282%0.81870%0.703SS**  trans93.6119.7145.1-136.76.8000122.8
239T39Very low45.4Very low130 Ų130123.1 Ų123.180%0.79867%0.672SS**  trans21.3109.6162.631.20000122.9
240G32.8Very low48Very low66 Ų66114.9 Ų114.968%0.6863%0.629SS**  trans162.374.1152.900000111.5T242G240-T242 PolarHBondContact O-N 3.23Å
241G35.9Very low50.5Low81 Ų81106.5 Ų106.584%0.83559%0.587SS**  trans-51.9100.9-177.600000112.3M243G241-M243 PolarHBondContact O-N 3.43Å
242T42Very low52.9Low105 Ų105104.5 Ų104.564%0.64456%0.564SS**  trans-67.785.7167.519.50000107.8G240 E244G240-T242 PolarHBondContact O-N 3.23Å; T242-E244 PolarHBondContact O-N 3.34Å
243M49.4Very low55.5Low133 Ų13392.9 Ų92.966%0.65552%0.521SS*.  trans-65.3110.8178.9-152.1175.6166.500107.8G241 I245G241-M243 PolarHBondContact O-N 3.43Å; M243-I245 PolarHBondContact O-N 3.42Å
244E56.7Low58.1Low169 Ų16987.8 Ų87.879%0.7949%0.485SS*.PPolyproline II helixtrans-61.5118166.4-69.3-172.1163.900107.8T242 T246T242-E244 PolarHBondContact O-N 3.34Å; E244-T246 PolarHBondContact O-N 3.41Å
245I64.3Low60.6Low27 Ų2779 Ų7914%0.13845%0.452CS..PPolyproline II helixtrans-84.1118.3-177.8-68.9149.7000108.3M243 A249 L250 N265 A281 L283M243-I245 PolarHBondContact O-N 3.42Å; I245-A249 HydrophobicContact CG2-CB 4.23Å; I245-L250 HydrophobicContact CG2-CD2 4.11Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; I245-N265 WeakPolarHBondContact CD1-OD1 3.43Å; I245-A281 HydrophobicContact CD1-CB 3.13Å; I245-L283 HydrophobicContact CB-CD2 3.81Å; I245-L283 HydrophobicContact CB-CG 4.29Å; I245-L283 HydrophobicContact CD1-CD1 4.19Å; I245-L283 HydrophobicContact CD1-CG 4.16Å; I245-L283 HydrophobicContact CG2-CD2 3.83Å
246T72.3Confident63.1Low87 Ų8772 Ų7253%0.53443%0.427SS..PPolyproline II helixtrans-74.2151.7175.455.50000111.2E244 A248 A249 L250E244-T246 PolarHBondContact O-N 3.41Å; T246-A248 PolarHBondContact O-N 3.33Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.07Å; T246-L250 PolarHBondContact O-N 3.2Å
247E78.8Confident65.7Low76 Ų7664.6 Ų64.636%0.35539%0.392SS..Hα-helixtrans-56-39.7177.7-176.5172.9-179.400111.8A249 L250 V251 T363 L364E247-A249 VanDerWaalsContact C-N 3.29Å; E247-A249 PolarHBondContact O-N 3.06Å; E247-L250 WeakPolarHBondContact O-CB 3.39Å; E247-L250 PolarHBondContact O-N 2.84Å; E247-L250 VanDerWaalsContact O-N 3.1Å; E247-V251 WeakPolarHBondContact O-CG2 3.16Å; E247-V251 PolarHBondContact O-N 3.29Å; E247-T363 WeakPolarHBondContact OE1-CB 3.43Å; E247-L364 HydrophobicContact CG-CD1 3.91Å; E247-L364 HydrophobicContact CG-CG 3.89Å; E247-L364 PolarHBondContact OE1-N 3.33Å
248A80.3Confident68.5Low32 Ų3261 Ų6126%0.26436%0.355SS..Hα-helixtrans-59.9-36.117600000113.1T246 V251 R252T246-A248 PolarHBondContact O-N 3.33Å; A248-V251 PolarHBondContact O-N 3.04Å; A248-R252 PolarHBondContact O-N 3.35Å; A248-R252 VanDerWaalsContact O-N 3.14Å
249A81.3Confident71.2Confident16 Ų1656.3 Ų56.313%0.13233%0.328CS..Hα-helixtrans-67.9-36.3175.800000112.1I245 T246 E247 D253I245-A249 HydrophobicContact CG2-CB 4.23Å; T246-A249 WeakPolarHBondContact O-CB 3.29Å; T246-A249 PolarHBondContact O-N 3.07Å; E247-A249 VanDerWaalsContact C-N 3.29Å; E247-A249 PolarHBondContact O-N 3.06Å; A249-D253 PolarHBondContact O-N 2.69Å; A249-D253 VanDerWaalsContact O-N 3.13Å
250L82.9Confident73.1Confident0 Ų051.1 Ų51.10%030%0.3CS..Hα-helixtrans-68.9-39.3173.3-75.9179.3000112.7I245 T246 E247 R252 D253 I254 N265 I266 L283 L287 L364I245-L250 HydrophobicContact CG2-CD2 4.11Å; I245-L250 HydrophobicContact CG2-CG 3.81Å; T246-L250 PolarHBondContact O-N 3.2Å; E247-L250 WeakPolarHBondContact O-CB 3.39Å; E247-L250 PolarHBondContact O-N 2.84Å; E247-L250 VanDerWaalsContact O-N 3.1Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.93Å; L250-D253 PolarHBondContact O-N 3.14Å; L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.45Å; L250-I254 PolarHBondContact O-N 3.16Å; L250-N265 HydrophobicContact CD2-CB 4.36Å; L250-I266 HydrophobicContact CD2-CD1 4.49Å; L250-L283 HydrophobicContact CD1-CD1 4.24Å; L250-L283 HydrophobicContact CD1-CD2 3.54Å; L250-L283 HydrophobicContact CD2-CD1 4Å; L250-L283 HydrophobicContact CD2-CD2 4.5Å; L250-L283 HydrophobicContact CG-CD2 4.2Å; L250-L287 HydrophobicContact CD1-CB 4.25Å; L250-L364 HydrophobicContact CB-CD1 4.25Å; L250-L364 HydrophobicContact CB-CD2 4.33Å; L250-L364 HydrophobicContact CD1-CD1 4.03Å
251V86.1Confident75.5Confident1 Ų152.3 Ų52.31%0.00629%0.29CS..Hα-helixtrans-59.7-45.2176.9171.40000110.4E247 A248 D253 I254 L255 L346 L362 L364E247-V251 WeakPolarHBondContact O-CG2 3.16Å; E247-V251 PolarHBondContact O-N 3.29Å; A248-V251 PolarHBondContact O-N 3.04Å; V251-D253 PolarHBondContact O-N 3.15Å; V251-I254 PolarHBondContact O-N 3.08Å; V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.86Å; V251-L346 HydrophobicContact CG1-CD1 4.24Å; V251-L362 HydrophobicContact CG1-CB 4.08Å; V251-L364 HydrophobicContact CG2-CD2 3.82Å; V251-L364 HydrophobicContact CG2-CG 3.94Å
252R86.3Confident77.6Confident93 Ų9352.6 Ų52.635%0.35127%0.273SS..Hα-helixtrans-57-48.6173.5-75.9-170.3-100.799.9-5.4112.3A248 L250 I254 L255 Y256 L346A248-R252 PolarHBondContact O-N 3.35Å; A248-R252 VanDerWaalsContact O-N 3.14Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 2.93Å; R252-I254 PolarHBondContact O-N 3.33Å; R252-L255 PolarHBondContact O-N 3.07Å; R252-Y256 WeakPolarHBondContact O-CD2 3.39Å; R252-Y256 PolarHBondContact O-N 3.16Å; R252-Y256 VanDerWaalsContact O-N 3.12Å; R252-L346 HydrophobicContact CG-CD1 3.95Å; R252-L346 HydrophobicContact CG-CD2 3.62Å; R252-L346 HydrophobicContact CG-CG 4.29Å
253D85.4Confident79.1Confident6 Ų648 Ų483%0.03225%0.245CC..Hα-helixtrans-63.5-39.1178.6-77.1-16000112.9A249 L250 V251 L255 Y256 V257 K264 N265 I266A249-D253 PolarHBondContact O-N 2.69Å; A249-D253 VanDerWaalsContact O-N 3.13Å; L250-D253 PolarHBondContact O-N 3.14Å; V251-D253 PolarHBondContact O-N 3.15Å; D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 2.99Å; D253-Y256 WeakPolarHBondContact O-CB 3.43Å; D253-Y256 PolarHBondContact O-N 2.94Å; D253-V257 WeakPolarHBondContact O-CG2 3.46Å; D253-V257 PolarHBondContact O-N 3.41Å; D253-K264 PolarHBondContact OD1-N 3.18Å; D253-K264 PolarHBondContact OD2-N 2.96Å; D253-N265 WeakPolarHBondContact OD2-CA 3.22Å; D253-N265 WeakPolarHBondContact OD2-CB 3.44Å; D253-N265 PolarHBondContact OD2-N 3.35Å; D253-N265 PolarHBondContact OD2-ND2 2.99Å; D253-I266 HydrophobicContact CB-CD1 4.3Å; D253-I266 HydrophobicContact CB-CG1 4.32Å
254I87.8Confident80.3Confident0 Ų048.3 Ų48.30%024%0.243CC..Hα-helixtrans-65.7-37.7176.7-67.9-70.3000111.2L250 V251 R252 Y256 V257 F258 I266 A291 L294 L364 L367L250-I254 VanDerWaalsContact O-CG1 3.27Å; L250-I254 WeakPolarHBondContact O-CG1 3.45Å; L250-I254 PolarHBondContact O-N 3.16Å; V251-I254 PolarHBondContact O-N 3.08Å; R252-I254 PolarHBondContact O-N 3.33Å; I254-Y256 VanDerWaalsContact C-N 3.28Å; I254-Y256 PolarHBondContact O-N 3.47Å; I254-V257 WeakPolarHBondContact O-CB 3.38Å; I254-V257 PolarHBondContact O-N 3.29Å; I254-F258 HydrophobicContact CG2-CD1 3.98Å; I254-F258 HydrophobicContact CG2-CE1 3.51Å; I254-F258 HydrophobicContact CG2-CE2 4.1Å; I254-F258 HydrophobicContact CG2-CG 4.47Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CB 3.47Å; I254-F258 WeakPolarHBondContact O-CD1 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.43Å; I254-F258 PolarHBondContact O-N 2.9Å; I254-I266 HydrophobicContact CD1-CD1 3.29Å; I254-I266 HydrophobicContact CG1-CD1 3.84Å; I254-A291 HydrophobicContact CD1-CB 4.18Å; I254-A291 WeakPolarHBondContact CD1-O 3Å; I254-L294 HydrophobicContact CD1-CB 3.96Å; I254-L294 HydrophobicContact CG2-CB 3.92Å; I254-L294 HydrophobicContact CG2-CD1 4.38Å; I254-L364 HydrophobicContact CG1-CD2 4.35Å; I254-L367 HydrophobicContact CB-CD2 4.09Å; I254-L367 HydrophobicContact CG2-CD2 3.41Å; I254-L367 VanDerWaalsContact CG2-CD2 3.41Å
255L87.4Confident80.7Confident0 Ų041.5 Ų41.50%021%0.212CC..Hα-helixtrans-67.7-27.7175.4-70.5175.4000112.6V251 R252 D253 F258 Q259 L339 L342 L346 L367V251-L255 HydrophobicContact CG1-CD1 4.37Å; V251-L255 WeakPolarHBondContact O-CG 3.48Å; V251-L255 PolarHBondContact O-N 2.86Å; R252-L255 PolarHBondContact O-N 3.07Å; D253-L255 VanDerWaalsContact C-N 3.33Å; D253-L255 PolarHBondContact O-N 2.99Å; L255-F258 HydrophobicContact CD2-CD2 3.98Å; L255-F258 HydrophobicContact CD2-CE2 4.47Å; L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 3.34Å; L255-Q259 PolarHBondContact O-NE2 3.07Å; L255-L339 HydrophobicContact CD2-CD1 3.82Å; L255-L342 HydrophobicContact CD2-CB 3.91Å; L255-L342 HydrophobicContact CD2-CD1 4.2Å; L255-L346 HydrophobicContact CD1-CB 4.26Å; L255-L346 HydrophobicContact CD1-CD2 3.66Å; L255-L346 HydrophobicContact CD1-CG 4.45Å; L255-L367 HydrophobicContact CD2-CD1 4.18Å
256Y87.8Confident81.2Confident106 Ų10640.2 Ų40.242%0.41621%0.205SC..Hα-helixtrans-68.9-44.9167.3-64.1-40.5000111.7R252 D253 I254 F258 Q259 G260 I261R252-Y256 WeakPolarHBondContact O-CD2 3.39Å; R252-Y256 PolarHBondContact O-N 3.16Å; R252-Y256 VanDerWaalsContact O-N 3.12Å; D253-Y256 WeakPolarHBondContact O-CB 3.43Å; D253-Y256 PolarHBondContact O-N 2.94Å; I254-Y256 VanDerWaalsContact C-N 3.28Å; I254-Y256 PolarHBondContact O-N 3.47Å; Y256-F258 PolarHBondContact O-N 2.7Å; Y256-Q259 WeakPolarHBondContact O-CB 3.47Å; Y256-Q259 PolarHBondContact O-N 2.87Å; Y256-G260 PolarHBondContact O-N 3.48Å; Y256-I261 CarbonylContact C-O 3.15Å; Y256-I261 PolarHBondContact O-N 2.86Å; Y256-I261 VanDerWaalsContact O-O 3.07Å
257V87.2Confident81.4Confident0 Ų040.9 Ų40.90%020%0.201CC..Hα-helixtrans-58.8-37176.1169.20000111.8D253 I254 Q259 G260 I261 I266 Y275 G298D253-V257 WeakPolarHBondContact O-CG2 3.46Å; D253-V257 PolarHBondContact O-N 3.41Å; I254-V257 WeakPolarHBondContact O-CB 3.38Å; I254-V257 PolarHBondContact O-N 3.29Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.18Å; V257-G260 WeakPolarHBondContact O-CA 3.43Å; V257-G260 PolarHBondContact O-N 3.39Å; V257-I261 WeakPolarHBondContact CA-O 3.29Å; V257-I261 PolarHBondContact N-O 2.9Å; V257-I266 HydrophobicContact CG2-CB 3.97Å; V257-I266 HydrophobicContact CG2-CG2 3.72Å; V257-Y275 HydrophobicContact CB-CD1 4.43Å; V257-Y275 HydrophobicContact CB-CE1 4.32Å; V257-Y275 HydrophobicContact CG1-CD1 3.85Å; V257-Y275 HydrophobicContact CG1-CD2 3.61Å; V257-Y275 HydrophobicContact CG1-CE1 3.91Å; V257-Y275 HydrophobicContact CG1-CE2 3.67Å; V257-Y275 HydrophobicContact CG1-CG 3.71Å; V257-Y275 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG2-CE1 3.94Å; V257-Y275 HydrophobicContact CG2-CG 4.4Å; V257-G298 VanDerWaalsContact O-CA 3.31Å; V257-G298 WeakPolarHBondContact O-CA 3.47Å
258F88Confident81.1Confident1 Ų139.5 Ų39.50%0.00420%0.195CC..Hα-helixtrans-62.6-32.7174.6-80.910.5000113.5I254 L255 Y256 G260 L294 L297 Y335 L339 L367 T371I254-F258 HydrophobicContact CG2-CD1 3.98Å; I254-F258 HydrophobicContact CG2-CE1 3.51Å; I254-F258 HydrophobicContact CG2-CE2 4.1Å; I254-F258 HydrophobicContact CG2-CG 4.47Å; I254-F258 HydrophobicContact CG2-CZ 3.58Å; I254-F258 WeakPolarHBondContact O-CB 3.47Å; I254-F258 WeakPolarHBondContact O-CD1 3.35Å; I254-F258 WeakPolarHBondContact O-CG 3.43Å; I254-F258 PolarHBondContact O-N 2.9Å; L255-F258 HydrophobicContact CD2-CD2 3.98Å; L255-F258 HydrophobicContact CD2-CE2 4.47Å; Y256-F258 PolarHBondContact O-N 2.7Å; F258-G260 PolarHBondContact O-N 3.31Å; F258-L294 HydrophobicContact CE1-CB 4.33Å; F258-L294 WeakPolarHBondContact CE1-O 3.38Å; F258-L294 HydrophobicContact CZ-CB 4.38Å; F258-L294 HydrophobicContact CZ-CD2 4.06Å; F258-L297 HydrophobicContact CD1-CD2 3.63Å; F258-L297 HydrophobicContact CD2-CD2 4.45Å; F258-L297 HydrophobicContact CE1-CB 4.02Å; F258-L297 HydrophobicContact CE1-CD2 3.74Å; F258-L297 HydrophobicContact CE1-CG 4.34Å; F258-L297 HydrophobicContact CG-CD2 4.01Å; F258-L297 HydrophobicContact CZ-CD2 4.22Å; F258-Y335 VanDerWaalsContact CA-OH 3.26Å; F258-Y335 WeakPolarHBondContact CA-OH 3.07Å; F258-Y335 WeakPolarHBondContact CB-OH 3.38Å; F258-Y335 WeakPolarHBondContact CG-OH 3.43Å; F258-Y335 PolarHBondContact O-OH 2.88Å; F258-L339 HydrophobicContact CB-CD1 3.78Å; F258-L339 HydrophobicContact CD2-CD1 3.96Å; F258-L339 HydrophobicContact CG-CD1 4.4Å; F258-L367 HydrophobicContact CE2-CD1 4.12Å; F258-L367 HydrophobicContact CE2-CD2 4.04Å; F258-L367 HydrophobicContact CE2-CG 4.1Å; F258-L367 HydrophobicContact CZ-CD2 4.11Å; F258-L367 HydrophobicContact CZ-CG 4.36Å; F258-T371 HydrophobicContact CE2-CG2 3.4Å; F258-T371 VanDerWaalsContact CE2-CG2 3.4Å; F258-T371 HydrophobicContact CZ-CG2 3.57Å
259Q84.6Confident80.6Confident54 Ų5439.9 Ų39.925%0.25219%0.193SC..Hα-helixtrans-77.2-10173.4-64.1167.862.600112.6L255 Y256 V257 I261 L339 H343L255-Q259 WeakPolarHBondContact O-CG 3.13Å; L255-Q259 PolarHBondContact O-N 3.34Å; L255-Q259 PolarHBondContact O-NE2 3.07Å; Y256-Q259 WeakPolarHBondContact O-CB 3.47Å; Y256-Q259 PolarHBondContact O-N 2.87Å; V257-Q259 VanDerWaalsContact C-N 3.29Å; V257-Q259 PolarHBondContact O-N 3.18Å; Q259-I261 HydrophobicContact CB-CD1 4.11Å; Q259-I261 HydrophobicContact CB-CG1 4.18Å; Q259-L339 HydrophobicContact CG-CD2 3.63Å; Q259-H343 PolarHBondContact NE2-CE1 2.9Å; Q259-H343 PolarHBondContact NE2-NE2 3.1Å
260G78.8Confident79.8Confident21 Ų2145.3 Ų45.322%0.21622%0.219CC..THydrogen-bonded Turntrans87.713-172.800000114.2Y256 V257 F258 Y275 N302Y256-G260 PolarHBondContact O-N 3.48Å; V257-G260 WeakPolarHBondContact O-CA 3.43Å; V257-G260 PolarHBondContact O-N 3.39Å; F258-G260 PolarHBondContact O-N 3.31Å; G260-Y275 WeakPolarHBondContact CA-OH 3.3Å; G260-Y275 PolarHBondContact O-OH 2.89Å; G260-N302 VanDerWaalsContact CA-ND2 3.32Å; G260-N302 WeakPolarHBondContact CA-ND2 3.34Å; G260-N302 WeakPolarHBondContact CA-OD1 2.87Å; G260-N302 PolarHBondContact O-ND2 3.11Å
261I81.9Confident78.6Confident91 Ų9150.9 Ų50.947%0.46725%0.254SS..  trans-102.5145.6-178.7-53.7171.1000108.8Y256 V257 Q259Y256-I261 CarbonylContact C-O 3.15Å; Y256-I261 PolarHBondContact O-N 2.86Å; Y256-I261 VanDerWaalsContact O-O 3.07Å; V257-I261 WeakPolarHBondContact CA-O 3.29Å; V257-I261 PolarHBondContact N-O 2.9Å; Q259-I261 HydrophobicContact CB-CD1 4.11Å; Q259-I261 HydrophobicContact CB-CG1 4.18Å
262D79.7Confident77.2Confident87 Ų8756.2 Ų56.247%0.46528%0.279SS..  trans-72.1134.7175.8-64-46.4000111.4M268D262-M268 WeakPolarHBondContact OD1-CB 3.32Å; D262-M268 PolarHBondContact OD1-N 3Å
263G74.8Confident76.1Confident7 Ų756 Ų567%0.07229%0.285CS..  trans-90176.3175.400000112.7I266G263-I266 WeakPolarHBondContact CA-O 3.49Å; G263-I266 PolarHBondContact N-O 3.35Å
264K73.3Confident75.1Confident141 Ų14157.7 Ų57.761%0.61330%0.296SS*.SBendtrans-66.4-40.5-179.7-173.5176.1179-179.20112.1D253D253-K264 PolarHBondContact OD1-N 3.18Å; D253-K264 PolarHBondContact OD2-N 2.96Å
265N66.1Low74.4Confident25 Ų2558.1 Ų58.113%0.13430%0.298CS..SBendtrans-106.2-11.4-178.4-56.8-75.8000113.5I245 L250 D253 V277 E278I245-N265 WeakPolarHBondContact CD1-OD1 3.43Å; L250-N265 HydrophobicContact CD2-CB 4.36Å; D253-N265 WeakPolarHBondContact OD2-CA 3.22Å; D253-N265 WeakPolarHBondContact OD2-CB 3.44Å; D253-N265 PolarHBondContact OD2-N 3.35Å; D253-N265 PolarHBondContact OD2-ND2 2.99Å; N265-V277 WeakPolarHBondContact O-CA 3.3Å; N265-E278 PolarHBondContact O-N 2.95Å
266I75.3Confident73.6Confident0 Ų062.1 Ų62.10%032%0.316CS..EExtended strand (participates in β ladder)trans-127.6114.1-175.4-50.9-179000109L250 D253 I254 V257 G263 Y275 V277 A291L250-I266 HydrophobicContact CD2-CD1 4.49Å; D253-I266 HydrophobicContact CB-CD1 4.3Å; D253-I266 HydrophobicContact CB-CG1 4.32Å; I254-I266 HydrophobicContact CD1-CD1 3.29Å; I254-I266 HydrophobicContact CG1-CD1 3.84Å; V257-I266 HydrophobicContact CG2-CB 3.97Å; V257-I266 HydrophobicContact CG2-CG2 3.72Å; G263-I266 WeakPolarHBondContact CA-O 3.49Å; G263-I266 PolarHBondContact N-O 3.35Å; I266-Y275 HydrophobicContact CG2-CD1 4.21Å; I266-Y275 HydrophobicContact CG2-CG 4.46Å; I266-V277 HydrophobicContact CD1-CG2 4.45Å; I266-V277 HydrophobicContact CG1-CG2 4.2Å; I266-A291 HydrophobicContact CD1-CB 4.27Å
267K76.4Confident72.8Confident101 Ų10158 Ų5844%0.43930%0.302SS..EExtended strand (participates in β ladder)trans-117.8142.6-178.3-68.4173.2179.3156.10110.4N269 Y275 K276 E278K267-N269 PolarHBondContact O-N 2.94Å; K267-Y275 WeakPolarHBondContact O-CA 3.35Å; K267-K276 PolarHBondContact N-O 2.96Å; K267-K276 VanDerWaalsContact N-O 3.12Å; K267-K276 PolarHBondContact O-N 3.48Å; K267-E278 IonicContact NZ-OE1 2.98Å; K267-E278 IonicContact NZ-OE2 3.74Å; K267-E278 PolarHBondContact NZ-OE2 3.11Å
268M72.3Confident71.8Confident47 Ų4761.9 Ų61.923%0.23232%0.319CS..EExtended strand (participates in β ladder)trans-67.1120.7172.9-17764.699.200109.4D262 Y275D262-M268 WeakPolarHBondContact OD1-CB 3.32Å; D262-M268 PolarHBondContact OD1-N 3Å; M268-Y275 HydrophobicContact CB-CD1 3.88Å; M268-Y275 HydrophobicContact CB-CE1 3.6Å; M268-Y275 HydrophobicContact CE-CD2 3.82Å; M268-Y275 HydrophobicContact CE-CE1 4.1Å; M268-Y275 HydrophobicContact CE-CE2 3.16Å; M268-Y275 WeakPolarHBondContact CE-OH 3.49Å; M268-Y275 HydrophobicContact CG-CE1 4.39Å; M268-Y275 HydrophobicContact SD-CD1 4.22Å; M268-Y275 HydrophobicContact SD-CD2 3.83Å; M268-Y275 HydrophobicContact SD-CE1 4.17Å; M268-Y275 HydrophobicContact SD-CE2 3.78Å; M268-Y275 HydrophobicContact SD-CG 4.05Å
269N69.6Low70.2Confident41 Ų4165 Ų6522%0.21935%0.351CS..EExtended strand (participates in β ladder)trans-88.9109.1168.2-172.97.9000109.6K267 T271 E272 N273 C274 K276K267-N269 PolarHBondContact O-N 2.94Å; N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact ND2-OG1 3.18Å; N269-T271 PolarHBondContact O-N 3.04Å; N269-T271 PolarHBondContact OD1-N 3.31Å; N269-T271 PolarHBondContact OD1-OG1 3.45Å; N269-E272 PolarHBondContact O-N 3.45Å; N269-N273 PolarHBondContact O-N 3.4Å; N269-C274 WeakPolarHBondContact CA-O 3.44Å; N269-C274 VanDerWaalsContact CB-O 3.29Å; N269-C274 WeakPolarHBondContact CB-O 3.46Å; N269-C274 PolarHBondContact N-O 3.09Å; N269-C274 PolarHBondContact O-N 3.24Å; N269-K276 HydrophobicContact CB-CD 4.34Å; N269-K276 HydrophobicContact CB-CG 4.34Å
270N63.5Low68.7Low129 Ų12970.8 Ų70.869%0.6938%0.376SS*.THydrogen-bonded Turntrans-66.2-24.8-178.6-165.535000113.1
271T58.5Low67.7Low118 Ų11870.2 Ų70.272%0.72437%0.369SS*.THydrogen-bonded Turntrans-77.2-33.3-178.658.20000113.1N269N269-T271 VanDerWaalsContact C-N 3.25Å; N269-T271 PolarHBondContact ND2-OG1 3.18Å; N269-T271 PolarHBondContact O-N 3.04Å; N269-T271 PolarHBondContact OD1-N 3.31Å; N269-T271 PolarHBondContact OD1-OG1 3.45Å
272E57.4Low66.6Low112 Ų11271.6 Ų71.652%0.52338%0.377SS..THydrogen-bonded Turntrans-106.61.5-178.7-72.5178.2-14600113.2N269 C274 K276N269-E272 PolarHBondContact O-N 3.45Å; E272-C274 VanDerWaalsContact CB-SG 3.55Å; E272-C274 PolarHBondContact O-N 2.83Å; E272-K276 IonicContact OE1-NZ 3.81Å; E272-K276 PolarHBondContact OE1-NZ 3.03Å; E272-K276 WeakPolarHBondContact OE2-CE 3.45Å; E272-K276 IonicContact OE2-NZ 2.77Å; E272-K276 PolarHBondContact OE2-NZ 3.29Å
273N63.2Low66.1Low90 Ų9068 Ų6848%0.48136%0.358SS..THydrogen-bonded Turntrans50.640.5-176.7-88.2-68.2000111.6N269 W299N269-N273 PolarHBondContact O-N 3.4Å; N273-W299 HydrophobicContact CB-CZ2 4.25Å; N273-W299 PolarHBondContact O-NE1 3.32Å; N273-W299 PolarHBondContact OD1-NE1 3.39Å
274C63.4Low66.1Low41 Ų4170.5 Ų70.528%0.27737%0.374SS..EExtended strand (participates in β ladder)trans-144145.5-17972.30000110.5N269 E272N269-C274 WeakPolarHBondContact CA-O 3.44Å; N269-C274 VanDerWaalsContact CB-O 3.29Å; N269-C274 WeakPolarHBondContact CB-O 3.46Å; N269-C274 PolarHBondContact N-O 3.09Å; N269-C274 PolarHBondContact O-N 3.24Å; E272-C274 VanDerWaalsContact CB-SG 3.55Å; E272-C274 PolarHBondContact O-N 2.83Å
275Y72.8Confident66.3Low8 Ų874.3 Ų74.33%0.03139%0.385CS..EExtended strand (participates in β ladder)trans-78.7124.9173.5-77.9-81.9000109.2V257 G260 I266 K267 M268 S295 W299 N302V257-Y275 HydrophobicContact CB-CD1 4.43Å; V257-Y275 HydrophobicContact CB-CE1 4.32Å; V257-Y275 HydrophobicContact CG1-CD1 3.85Å; V257-Y275 HydrophobicContact CG1-CD2 3.61Å; V257-Y275 HydrophobicContact CG1-CE1 3.91Å; V257-Y275 HydrophobicContact CG1-CE2 3.67Å; V257-Y275 HydrophobicContact CG1-CG 3.71Å; V257-Y275 HydrophobicContact CG2-CD1 3.83Å; V257-Y275 HydrophobicContact CG2-CE1 3.94Å; V257-Y275 HydrophobicContact CG2-CG 4.4Å; G260-Y275 WeakPolarHBondContact CA-OH 3.3Å; G260-Y275 PolarHBondContact O-OH 2.89Å; I266-Y275 HydrophobicContact CG2-CD1 4.21Å; I266-Y275 HydrophobicContact CG2-CG 4.46Å; K267-Y275 WeakPolarHBondContact O-CA 3.35Å; M268-Y275 HydrophobicContact CB-CD1 3.88Å; M268-Y275 HydrophobicContact CB-CE1 3.6Å; M268-Y275 HydrophobicContact CE-CD2 3.82Å; M268-Y275 HydrophobicContact CE-CE1 4.1Å; M268-Y275 HydrophobicContact CE-CE2 3.16Å; M268-Y275 WeakPolarHBondContact CE-OH 3.49Å; M268-Y275 HydrophobicContact CG-CE1 4.39Å; M268-Y275 HydrophobicContact SD-CD1 4.22Å; M268-Y275 HydrophobicContact SD-CD2 3.83Å; M268-Y275 HydrophobicContact SD-CE1 4.17Å; M268-Y275 HydrophobicContact SD-CE2 3.78Å; M268-Y275 HydrophobicContact SD-CG 4.05Å; Y275-S295 WeakPolarHBondContact CD2-O 3.07Å; Y275-W299 HydrophobicContact CD2-CB 4.3Å; Y275-W299 HydrophobicContact CE2-CB 4.37Å; Y275-N302 PolarHBondContact OH-ND2 3.12Å
276K70.6Confident66.9Low85 Ų8576.8 Ų76.837%0.3740%0.404SS..EExtended strand (participates in β ladder)trans-111.2136.1178-70.6-170.5176.2-178.60110.5K267 N269 E272K267-K276 PolarHBondContact N-O 2.96Å; K267-K276 VanDerWaalsContact N-O 3.12Å; K267-K276 PolarHBondContact O-N 3.48Å; N269-K276 HydrophobicContact CB-CD 4.34Å; N269-K276 HydrophobicContact CB-CG 4.34Å; E272-K276 IonicContact OE1-NZ 3.81Å; E272-K276 PolarHBondContact OE1-NZ 3.03Å; E272-K276 WeakPolarHBondContact OE2-CE 3.45Å; E272-K276 IonicContact OE2-NZ 2.77Å; E272-K276 PolarHBondContact OE2-NZ 3.29Å
277V72.1Confident67Low20 Ų2078.8 Ų78.812%0.12142%0.415CS..EExtended strand (participates in β ladder)trans-75.9123.3171-173.70000107.9N265 I266 G279 L283 R288 A291 V292N265-V277 WeakPolarHBondContact O-CA 3.3Å; I266-V277 HydrophobicContact CD1-CG2 4.45Å; I266-V277 HydrophobicContact CG1-CG2 4.2Å; V277-G279 PolarHBondContact O-N 3.29Å; V277-L283 HydrophobicContact CG1-CD1 3.6Å; V277-R288 HydrophobicContact CB-CG 4.36Å; V277-R288 HydrophobicContact CG2-CG 4.39Å; V277-A291 HydrophobicContact CG2-CB 4.02Å; V277-V292 HydrophobicContact CG2-CG2 4.22Å
278E64.6Low67.3Low80 Ų8078.9 Ų78.937%0.37441%0.412SS..  trans-63.7123.3-173.3-157.6172.8169.900110.6N265 K267 K280 A281N265-E278 PolarHBondContact O-N 2.95Å; K267-E278 IonicContact NZ-OE1 2.98Å; K267-E278 IonicContact NZ-OE2 3.74Å; K267-E278 PolarHBondContact NZ-OE2 3.11Å; E278-K280 PolarHBondContact O-N 3.27Å; E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-A281 VanDerWaalsContact O-N 3.17Å
279G55.5Low67.7Low66 Ų6680.4 Ų80.468%0.6842%0.421SS*.THydrogen-bonded Turntrans-66.31.2-168.300000116.6V277V277-G279 PolarHBondContact O-N 3.29Å
280K53.7Low68.3Low177 Ų17779.4 Ų79.477%0.7742%0.417SS*.THydrogen-bonded Turntrans-88.7-5.6175.8-63-178.1179.3178.40113.2E278E278-K280 PolarHBondContact O-N 3.27Å
281A57.3Low69.2Low9 Ų973.3 Ų73.37%0.07438%0.384CS..SBendtrans-80.6115.9174.300000110.7I245 E278 L283I245-A281 HydrophobicContact CD1-CB 3.13Å; E278-A281 WeakPolarHBondContact O-CB 3.34Å; E278-A281 PolarHBondContact O-N 2.9Å; E278-A281 VanDerWaalsContact O-N 3.17Å; A281-L283 HydrophobicContact CB-CD1 3.59Å; A281-L283 HydrophobicContact CB-CG 3.88Å; A281-L283 PolarHBondContact O-N 2.83Å
282N58.7Low70.4Confident119 Ų11971.1 Ų71.164%0.63637%0.371SS*.  trans-69.159.2170.2-74-22.6000111.2
283L69.1Low71.7Confident12 Ų1270 Ų706%0.06336%0.362CS..  trans-91137.3179.8-77.2165.1000110.7I245 L250 V277 A281 L287I245-L283 HydrophobicContact CB-CD2 3.81Å; I245-L283 HydrophobicContact CB-CG 4.29Å; I245-L283 HydrophobicContact CD1-CD1 4.19Å; I245-L283 HydrophobicContact CD1-CG 4.16Å; I245-L283 HydrophobicContact CG2-CD2 3.83Å; L250-L283 HydrophobicContact CD1-CD1 4.24Å; L250-L283 HydrophobicContact CD1-CD2 3.54Å; L250-L283 HydrophobicContact CD2-CD1 4Å; L250-L283 HydrophobicContact CD2-CD2 4.5Å; L250-L283 HydrophobicContact CG-CD2 4.2Å; V277-L283 HydrophobicContact CG1-CD1 3.6Å; A281-L283 HydrophobicContact CB-CD1 3.59Å; A281-L283 HydrophobicContact CB-CG 3.88Å; A281-L283 PolarHBondContact O-N 2.83Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å
284S75.1Confident72.7Confident59 Ų5965.8 Ų65.841%0.41334%0.339SS..  trans-58.7142.8172.969.30000110.6S286 L287 R288S284-S286 PolarHBondContact O-N 3.25Å; S284-S286 VanDerWaalsContact O-N 3.12Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S284-L287 PolarHBondContact O-N 3.03Å; S284-L287 VanDerWaalsContact O-N 3.09Å; S284-L287 VanDerWaalsContact OG-CD1 3.23Å; S284-L287 WeakPolarHBondContact OG-CD1 3.07Å; S284-L287 WeakPolarHBondContact OG-CG 3.28Å; S284-R288 PolarHBondContact O-N 3.45Å; S284-R288 VanDerWaalsContact O-N 3.08Å
285R77.2Confident73.8Confident222 Ų22264 Ų6484%0.83833%0.327SS*.Hα-helixtrans-55.2-34.4-175.4-175.1177.5-80.8-168.7-4.4112.3D289R285-D289 WeakPolarHBondContact O-CB 3.36Å; R285-D289 PolarHBondContact O-N 2.71Å; R285-D289 VanDerWaalsContact O-N 3.08Å
286S78.8Confident74.4Confident76 Ų7667.1 Ų67.153%0.53134%0.342SS..Hα-helixtrans-71.2-39.4178.149.80000114S284 T290S284-S286 PolarHBondContact O-N 3.25Å; S284-S286 VanDerWaalsContact O-N 3.12Å; S284-S286 PolarHBondContact OG-OG 3.17Å; S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 VanDerWaalsContact O-N 3.08Å; S286-T290 PolarHBondContact O-OG1 3.01Å
287L78.4Confident75.1Confident43 Ų4363.1 Ų63.123%0.22532%0.324CS..Hα-helixtrans-67-41.5175-68.9173000110.5L250 L283 S284 T290 A291 L364L250-L287 HydrophobicContact CD1-CB 4.25Å; L283-L287 HydrophobicContact CD2-CD1 4.48Å; S284-L287 PolarHBondContact O-N 3.03Å; S284-L287 VanDerWaalsContact O-N 3.09Å; S284-L287 VanDerWaalsContact OG-CD1 3.23Å; S284-L287 WeakPolarHBondContact OG-CD1 3.07Å; S284-L287 WeakPolarHBondContact OG-CG 3.28Å; L287-T290 PolarHBondContact O-N 3.37Å; L287-A291 WeakPolarHBondContact O-CB 3.23Å; L287-A291 PolarHBondContact O-N 2.88Å; L287-L364 HydrophobicContact CD2-CD1 3.6Å
288R81.1Confident75.7Confident102 Ų10262.1 Ų62.139%0.38532%0.318SS..Hα-helixtrans-59.7-48.2175.9-171.3-176.9-59.7-173.9-1.3112V277 S284 T290 A291 V292V277-R288 HydrophobicContact CB-CG 4.36Å; V277-R288 HydrophobicContact CG2-CG 4.39Å; S284-R288 PolarHBondContact O-N 3.45Å; S284-R288 VanDerWaalsContact O-N 3.08Å; R288-T290 VanDerWaalsContact C-N 3.32Å; R288-T290 PolarHBondContact O-N 3.21Å; R288-A291 PolarHBondContact O-N 3.35Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.32Å; R288-V292 PolarHBondContact O-N 3.46Å
289D81.2Confident76.8Confident79 Ų7961.3 Ų61.342%0.42231%0.312SS..Hα-helixtrans-62.1-39.4179175.947.4000112.2R285 R293R285-D289 WeakPolarHBondContact O-CB 3.36Å; R285-D289 PolarHBondContact O-N 2.71Å; R285-D289 VanDerWaalsContact O-N 3.08Å; D289-R293 PolarHBondContact O-N 3.35Å; D289-R293 IonicContact OD1-CZ 3.52Å; D289-R293 IonicContact OD1-NH1 2.6Å; D289-R293 PolarHBondContact OD1-NH1 2.98Å; D289-R293 IonicContact OD2-CZ 3.4Å; D289-R293 IonicContact OD2-NH1 3.62Å; D289-R293 PolarHBondContact OD2-NH1 3.31Å; D289-R293 IonicContact OD2-NH2 2.62Å; D289-R293 PolarHBondContact OD2-NH2 3.3Å
290T82.1Confident78.3Confident21 Ų2158.5 Ų58.513%0.12928%0.281CS..Hα-helixtrans-68.5-42.4174.8-54.50000112S286 L287 R288 V292 R293 L294 L364S286-T290 PolarHBondContact O-N 2.88Å; S286-T290 VanDerWaalsContact O-N 3.08Å; S286-T290 PolarHBondContact O-OG1 3.01Å; L287-T290 PolarHBondContact O-N 3.37Å; R288-T290 VanDerWaalsContact C-N 3.32Å; R288-T290 PolarHBondContact O-N 3.21Å; T290-V292 PolarHBondContact O-N 3.21Å; T290-R293 PolarHBondContact O-N 3.46Å; T290-R293 PolarHBondContact OG1-NH2 3.11Å; T290-R293 VanDerWaalsContact OG1-NH2 3.1Å; T290-L294 HydrophobicContact CG2-CD1 3.99Å; T290-L294 WeakPolarHBondContact O-CD1 3.2Å; T290-L294 WeakPolarHBondContact O-CG 3.38Å; T290-L294 PolarHBondContact O-N 3.17Å; T290-L364 HydrophobicContact CG2-CB 4.21Å
291A83.4Confident79.9Confident0 Ų050 Ų500%024%0.244CC..Hα-helixtrans-61.5-41.8175.900000111.9I254 I266 V277 L287 R288 L294 S295I254-A291 HydrophobicContact CD1-CB 4.18Å; I254-A291 WeakPolarHBondContact CD1-O 3Å; I266-A291 HydrophobicContact CD1-CB 4.27Å; V277-A291 HydrophobicContact CG2-CB 4.02Å; L287-A291 WeakPolarHBondContact O-CB 3.23Å; L287-A291 PolarHBondContact O-N 2.88Å; R288-A291 PolarHBondContact O-N 3.35Å; A291-L294 PolarHBondContact O-N 3Å; A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.33Å; A291-S295 PolarHBondContact O-OG 3.48Å
292V83.8Confident81.4Confident72 Ų7250.4 Ų50.444%0.43625%0.245SC..Hα-helixtrans-63.7-42.6175.5171.10000111.3V277 R288 T290 L294 S295 E296V277-V292 HydrophobicContact CG2-CG2 4.22Å; R288-V292 VanDerWaalsContact O-CG2 3.32Å; R288-V292 WeakPolarHBondContact O-CG2 3.32Å; R288-V292 PolarHBondContact O-N 3.46Å; T290-V292 PolarHBondContact O-N 3.21Å; V292-L294 VanDerWaalsContact C-N 3.32Å; V292-L294 PolarHBondContact O-N 3.22Å; V292-S295 WeakPolarHBondContact O-CB 3.32Å; V292-S295 PolarHBondContact O-N 2.99Å; V292-E296 PolarHBondContact O-N 2.87Å
293R83.3Confident82.8Confident90 Ų9046.5 Ų46.534%0.3422%0.223SC..Hα-helixtrans-61.1-39.5175.4-81.8-168.4-71.5-87.2-5113.4D289 T290 L368 K375D289-R293 PolarHBondContact O-N 3.35Å; D289-R293 IonicContact OD1-CZ 3.52Å; D289-R293 IonicContact OD1-NH1 2.6Å; D289-R293 PolarHBondContact OD1-NH1 2.98Å; D289-R293 IonicContact OD2-CZ 3.4Å; D289-R293 IonicContact OD2-NH1 3.62Å; D289-R293 PolarHBondContact OD2-NH1 3.31Å; D289-R293 IonicContact OD2-NH2 2.62Å; D289-R293 PolarHBondContact OD2-NH2 3.3Å; T290-R293 PolarHBondContact O-N 3.46Å; T290-R293 PolarHBondContact OG1-NH2 3.11Å; T290-R293 VanDerWaalsContact OG1-NH2 3.1Å; R293-L368 HydrophobicContact CB-CD1 4.46Å; R293-K375 PolarHBondContact O-NZ 3.01Å
294L85.3Confident83.7Confident1 Ų146 Ų461%0.00522%0.22CC..Hα-helixtrans-71.6-41.6177.8-71.6161.8000110.4I254 F258 T290 A291 V292 E296 L297 L364 L367 L368 T371I254-L294 HydrophobicContact CD1-CB 3.96Å; I254-L294 HydrophobicContact CG2-CB 3.92Å; I254-L294 HydrophobicContact CG2-CD1 4.38Å; F258-L294 HydrophobicContact CE1-CB 4.33Å; F258-L294 WeakPolarHBondContact CE1-O 3.38Å; F258-L294 HydrophobicContact CZ-CB 4.38Å; F258-L294 HydrophobicContact CZ-CD2 4.06Å; T290-L294 HydrophobicContact CG2-CD1 3.99Å; T290-L294 WeakPolarHBondContact O-CD1 3.2Å; T290-L294 WeakPolarHBondContact O-CG 3.38Å; T290-L294 PolarHBondContact O-N 3.17Å; A291-L294 PolarHBondContact O-N 3Å; V292-L294 VanDerWaalsContact C-N 3.32Å; V292-L294 PolarHBondContact O-N 3.22Å; L294-E296 PolarHBondContact O-N 3.39Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 3.12Å; L294-L364 HydrophobicContact CD1-CD2 3.98Å; L294-L367 HydrophobicContact CD1-CD2 4.06Å; L294-L367 HydrophobicContact CD2-CB 4.47Å; L294-L367 HydrophobicContact CD2-CD2 4.18Å; L294-L367 HydrophobicContact CD2-CG 4.19Å; L294-L368 HydrophobicContact CD2-CB 4.38Å; L294-L368 HydrophobicContact CD2-CD1 4.02Å; L294-L368 HydrophobicContact CG-CD1 4.21Å; L294-T371 WeakPolarHBondContact CD2-OG1 3.35Å
295S85Confident84.4Confident2 Ų248.2 Ų48.21%0.01422%0.219CC..Hα-helixtrans-55.9-31.3177.7-73.60000114.3Y275 A291 V292 L297 G298 W299Y275-S295 WeakPolarHBondContact CD2-O 3.07Å; A291-S295 WeakPolarHBondContact O-CB 3.39Å; A291-S295 PolarHBondContact O-N 3.33Å; A291-S295 PolarHBondContact O-OG 3.48Å; V292-S295 WeakPolarHBondContact O-CB 3.32Å; V292-S295 PolarHBondContact O-N 2.99Å; S295-L297 PolarHBondContact O-N 3.48Å; S295-G298 PolarHBondContact O-N 2.58Å; S295-W299 PolarHBondContact O-N 3.46Å
296E85.4Confident84.8Confident75 Ų7545.2 Ų45.235%0.3521%0.208SC..Hα-helixtrans-54.7-36.3171.5-171.9-174.2-174.900112.4V292 L294 W299 L300 K375 K379V292-E296 PolarHBondContact O-N 2.87Å; L294-E296 PolarHBondContact O-N 3.39Å; E296-W299 PolarHBondContact O-N 2.92Å; E296-L300 HydrophobicContact CG-CD1 4.45Å; E296-L300 WeakPolarHBondContact O-CG 3.48Å; E296-L300 PolarHBondContact O-N 3.23Å; E296-L300 VanDerWaalsContact O-N 3.12Å; E296-K375 WeakPolarHBondContact OE2-CE 3.32Å; E296-K375 IonicContact OE2-NZ 3.54Å; E296-K375 PolarHBondContact OE2-NZ 3.49Å; E296-K379 VanDerWaalsContact CD-CE 3.46Å; E296-K379 VanDerWaalsContact CD-NZ 3.25Å; E296-K379 WeakPolarHBondContact OE1-CE 3.34Å; E296-K379 IonicContact OE1-NZ 2.83Å; E296-K379 PolarHBondContact OE1-NZ 3.12Å; E296-K379 IonicContact OE2-NZ 2.94Å; E296-K379 PolarHBondContact OE2-NZ 3.48Å; E296-K379 VanDerWaalsContact OE2-NZ 3.11Å
297L85.9Confident85.2Confident0 Ų041.7 Ų41.70%018%0.183CC..Hα-helixtrans-65.9-42.4179.9-176.5152.9000111.8F258 L294 S295 W299 L300 H301 Y335 T371 K375 L378F258-L297 HydrophobicContact CD1-CD2 3.63Å; F258-L297 HydrophobicContact CD2-CD2 4.45Å; F258-L297 HydrophobicContact CE1-CB 4.02Å; F258-L297 HydrophobicContact CE1-CD2 3.74Å; F258-L297 HydrophobicContact CE1-CG 4.34Å; F258-L297 HydrophobicContact CG-CD2 4.01Å; F258-L297 HydrophobicContact CZ-CD2 4.22Å; L294-L297 WeakPolarHBondContact O-CB 3.48Å; L294-L297 PolarHBondContact O-N 3.12Å; S295-L297 PolarHBondContact O-N 3.48Å; L297-W299 PolarHBondContact O-N 3.09Å; L297-L300 PolarHBondContact O-N 3.27Å; L297-H301 PolarHBondContact O-N 3.2Å; L297-Y335 HydrophobicContact CD1-CE2 4.42Å; L297-Y335 HydrophobicContact CD2-CD2 4.49Å; L297-Y335 HydrophobicContact CD2-CE2 3.36Å; L297-Y335 WeakPolarHBondContact CD2-OH 3.39Å; L297-Y335 HydrophobicContact CG-CE2 4.36Å; L297-T371 HydrophobicContact CD1-CG2 4.19Å; L297-K375 HydrophobicContact CD1-CB 3.98Å; L297-L378 HydrophobicContact CD1-CD1 4.33Å; L297-L378 HydrophobicContact CD2-CD1 4.3Å; L297-L378 HydrophobicContact CG-CD1 4.02Å
298G85.5Confident85.6Confident0 Ų039.7 Ų39.70%017%0.172CC..Hα-helixtrans-61.9-35.2177.400000112V257 S295 N302V257-G298 VanDerWaalsContact O-CA 3.31Å; V257-G298 WeakPolarHBondContact O-CA 3.47Å; S295-G298 PolarHBondContact O-N 2.58Å; G298-N302 PolarHBondContact O-N 3.05Å; G298-N302 VanDerWaalsContact O-N 3.07Å
299W86.8Confident85.8Confident62 Ų6238.5 Ų38.524%0.23517%0.174CC..Hα-helixtrans-67.1-46.8174.8177.878.8000112.5N273 Y275 S295 E296 L297 H301 N302 K303N273-W299 HydrophobicContact CB-CZ2 4.25Å; N273-W299 PolarHBondContact O-NE1 3.32Å; N273-W299 PolarHBondContact OD1-NE1 3.39Å; Y275-W299 HydrophobicContact CD2-CB 4.3Å; Y275-W299 HydrophobicContact CE2-CB 4.37Å; S295-W299 PolarHBondContact O-N 3.46Å; E296-W299 PolarHBondContact O-N 2.92Å; L297-W299 PolarHBondContact O-N 3.09Å; W299-H301 VanDerWaalsContact C-N 3.3Å; W299-H301 PolarHBondContact O-N 3.21Å; W299-N302 PolarHBondContact O-N 3.36Å; W299-N302 VanDerWaalsContact O-N 3.13Å; W299-K303 HydrophobicContact CH2-CD 3.6Å; W299-K303 HydrophobicContact CZ2-CD 3.82Å; W299-K303 HydrophobicContact CZ3-CD 4.08Å; W299-K303 PolarHBondContact O-N 3.28Å
300L86.8Confident85.9Confident7 Ų740.8 Ų40.84%0.03718%0.182CC..Hα-helixtrans-58.3-44.5177.9-68.6165.7000111.6E296 L297 N302 K303 I304 L378 K379 A382E296-L300 HydrophobicContact CG-CD1 4.45Å; E296-L300 WeakPolarHBondContact O-CG 3.48Å; E296-L300 PolarHBondContact O-N 3.23Å; E296-L300 VanDerWaalsContact O-N 3.12Å; L297-L300 PolarHBondContact O-N 3.27Å; L300-N302 PolarHBondContact O-N 3.12Å; L300-K303 PolarHBondContact O-N 3.46Å; L300-I304 WeakPolarHBondContact O-CG1 3.27Å; L300-I304 PolarHBondContact O-N 2.94Å; L300-I304 VanDerWaalsContact O-N 3.07Å; L300-L378 HydrophobicContact CB-CB 4.17Å; L300-L378 HydrophobicContact CD1-CB 4.38Å; L300-K379 HydrophobicContact CD1-CB 4.43Å; L300-K379 HydrophobicContact CD1-CD 4.43Å; L300-K379 HydrophobicContact CD1-CG 3.4Å; L300-K379 HydrophobicContact CD2-CG 4.26Å; L300-K379 HydrophobicContact CG-CG 4.49Å; L300-A382 HydrophobicContact CD2-CB 3.56Å
301H88.5Confident85.7Confident0 Ų043.4 Ų43.40%019%0.189CC..Hα-helixtrans-55.6-51.1173.5165.5-79.5000111.3L297 W299 K303 I304 R305 Y335 Y336L297-H301 PolarHBondContact O-N 3.2Å; W299-H301 VanDerWaalsContact C-N 3.3Å; W299-H301 PolarHBondContact O-N 3.21Å; H301-K303 VanDerWaalsContact C-N 3.29Å; H301-K303 PolarHBondContact O-N 3.16Å; H301-I304 PolarHBondContact O-N 3.47Å; H301-R305 VanDerWaalsContact O-CB 3.29Å; H301-R305 WeakPolarHBondContact O-CB 3.31Å; H301-R305 PolarHBondContact O-N 2.96Å; H301-Y335 HydrophobicContact CB-CE1 4.39Å; H301-Y335 AromaticContact CD2-CD1 3.48Å; H301-Y335 VanDerWaalsContact CD2-CD1 3.48Å; H301-Y335 WeakPolarHBondContact CD2-CD1 3.38Å; H301-Y335 AromaticContact CD2-CE1 3.24Å; H301-Y335 WeakPolarHBondContact CD2-CE1 3.41Å; H301-Y335 AromaticContact CG-CE1 3.98Å; H301-Y335 AromaticContact NE2-CE1 3.94Å; H301-Y336 PolarHBondContact CE1-OH 3.28Å; H301-Y336 AromaticContact NE2-CE1 3.21Å; H301-Y336 WeakPolarHBondContact NE2-CE1 3.35Å; H301-Y336 AromaticContact NE2-CZ 3.23Å; H301-Y336 PolarHBondContact NE2-OH 3.01Å
302N88.2Confident85.1Confident17 Ų1746.9 Ų46.99%0.09121%0.213CC..Hα-helixtrans-61.3-37.7-179.5-86.7-7.3000112.8G260 Y275 G298 W299 L300 R306G260-N302 VanDerWaalsContact CA-ND2 3.32Å; G260-N302 WeakPolarHBondContact CA-ND2 3.34Å; G260-N302 WeakPolarHBondContact CA-OD1 2.87Å; G260-N302 PolarHBondContact O-ND2 3.11Å; Y275-N302 PolarHBondContact OH-ND2 3.12Å; G298-N302 PolarHBondContact O-N 3.05Å; G298-N302 VanDerWaalsContact O-N 3.07Å; W299-N302 PolarHBondContact O-N 3.36Å; W299-N302 VanDerWaalsContact O-N 3.13Å; L300-N302 PolarHBondContact O-N 3.12Å; N302-R306 WeakPolarHBondContact O-CB 2.96Å; N302-R306 WeakPolarHBondContact O-CG 3.39Å; N302-R306 PolarHBondContact O-N 2.96Å
303K87.3Confident84.4Confident37 Ų3750.6 Ų50.616%0.16123%0.23CC..Hα-helixtrans-63.1-49176.6-175173.9-175.9176.40112.1W299 L300 H301 R306 Y307 A382 D386W299-K303 HydrophobicContact CH2-CD 3.6Å; W299-K303 HydrophobicContact CZ2-CD 3.82Å; W299-K303 HydrophobicContact CZ3-CD 4.08Å; W299-K303 PolarHBondContact O-N 3.28Å; L300-K303 PolarHBondContact O-N 3.46Å; H301-K303 VanDerWaalsContact C-N 3.29Å; H301-K303 PolarHBondContact O-N 3.16Å; K303-R306 PolarHBondContact O-N 3.25Å; K303-Y307 PolarHBondContact O-N 2.72Å; K303-Y307 VanDerWaalsContact O-N 3.11Å; K303-A382 HydrophobicContact CD-CB 4.39Å; K303-D386 WeakPolarHBondContact CE-OD1 3.47Å; K303-D386 IonicContact NZ-OD1 2.63Å; K303-D386 PolarHBondContact NZ-OD1 3.03Å; K303-D386 IonicContact NZ-OD2 3.04Å; K303-D386 PolarHBondContact NZ-OD2 3.28Å
304I88.6Confident83.8Confident0 Ų048.8 Ų48.80%023%0.227CC..Hα-helixtrans-66.9-42179.8-64162000110.6L300 H301 Y307 T308 L328 L332 L378 L381 A382L300-I304 WeakPolarHBondContact O-CG1 3.27Å; L300-I304 PolarHBondContact O-N 2.94Å; L300-I304 VanDerWaalsContact O-N 3.07Å; H301-I304 PolarHBondContact O-N 3.47Å; I304-Y307 PolarHBondContact O-N 3.43Å; I304-T308 WeakPolarHBondContact O-CB 3.2Å; I304-T308 PolarHBondContact O-N 3.46Å; I304-T308 PolarHBondContact O-OG1 3.31Å; I304-L328 HydrophobicContact CG2-CB 4.38Å; I304-L328 HydrophobicContact CG2-CD2 4.03Å; I304-L332 HydrophobicContact CB-CD2 4.42Å; I304-L332 HydrophobicContact CG2-CD1 4.06Å; I304-L332 HydrophobicContact CG2-CD2 4.11Å; I304-L332 HydrophobicContact CG2-CG 4.11Å; I304-L378 HydrophobicContact CD1-CB 4.39Å; I304-L378 HydrophobicContact CD1-CD2 3.53Å; I304-L378 WeakPolarHBondContact CD1-O 3.15Å; I304-L381 HydrophobicContact CD1-CB 3.74Å; I304-L381 HydrophobicContact CG1-CB 4.46Å; I304-A382 HydrophobicContact CD1-CB 4.34Å; I304-A382 HydrophobicContact CG1-CB 4.33Å
305R89.2Confident82.9Confident107 Ų10760.3 Ų60.340%0.40427%0.271SS..Hα-helixtrans-58.6-49.7175.5-178.8176.4171.7-174.82.6111.3H301 Y307 T308 D309H301-R305 VanDerWaalsContact O-CB 3.29Å; H301-R305 WeakPolarHBondContact O-CB 3.31Å; H301-R305 PolarHBondContact O-N 2.96Å; R305-Y307 PolarHBondContact O-N 3.31Å; R305-T308 PolarHBondContact O-N 2.92Å; R305-D309 WeakPolarHBondContact CG-OD2 3.28Å; R305-D309 IonicContact NE-OD2 2.67Å; R305-D309 WeakPolarHBondContact O-CB 2.97Å; R305-D309 VanDerWaalsContact O-CG 3.24Å; R305-D309 PolarHBondContact O-N 2.97Å
306R87.2Confident82.1Confident158 Ų15864.9 Ų64.960%0.59630%0.303SS*.Hα-helixtrans-57.5-45177.2-76.6175.2-172.3-107.43.4112.6N302 K303 T308 Q310N302-R306 WeakPolarHBondContact O-CB 2.96Å; N302-R306 WeakPolarHBondContact O-CG 3.39Å; N302-R306 PolarHBondContact O-N 2.96Å; K303-R306 PolarHBondContact O-N 3.25Å; R306-T308 VanDerWaalsContact C-N 3.34Å; R306-Q310 VanDerWaalsContact O-CB 3.31Å; R306-Q310 WeakPolarHBondContact O-CB 3.38Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.14Å
307Y85.6Confident81.4Confident3 Ų362.6 Ų62.61%0.01229%0.292CS..Hα-helixtrans-63-43.5177.7177.5-98.7000112K303 I304 R305 Q310 R311 F317 F324 L328 V385 C388 Q389K303-Y307 PolarHBondContact O-N 2.72Å; K303-Y307 VanDerWaalsContact O-N 3.11Å; I304-Y307 PolarHBondContact O-N 3.43Å; R305-Y307 PolarHBondContact O-N 3.31Å; Y307-Q310 PolarHBondContact O-N 3.31Å; Y307-R311 HydrophobicContact CD1-CG 4.49Å; Y307-R311 HydrophobicContact CD2-CG 4.22Å; Y307-R311 HydrophobicContact CE1-CG 4.14Å; Y307-R311 HydrophobicContact CE2-CG 3.9Å; Y307-R311 WeakPolarHBondContact O-CB 3.17Å; Y307-R311 WeakPolarHBondContact O-CG 3.31Å; Y307-R311 PolarHBondContact O-N 3.47Å; Y307-F317 WeakPolarHBondContact OH-CZ 3.24Å; Y307-F324 HydrophobicContact CE1-CD1 4.17Å; Y307-F324 AromaticContact CE1-CE1 3.77Å; Y307-F324 HydrophobicContact CE1-CE1 3.77Å; Y307-L328 HydrophobicContact CD1-CD1 3.68Å; Y307-L328 HydrophobicContact CE1-CD1 3.82Å; Y307-V385 HydrophobicContact CD1-CB 4.45Å; Y307-V385 HydrophobicContact CD1-CG1 3.98Å; Y307-V385 HydrophobicContact CD1-CG2 3.76Å; Y307-V385 HydrophobicContact CD2-CG1 3.66Å; Y307-V385 HydrophobicContact CE1-CG2 4.2Å; Y307-V385 HydrophobicContact CE2-CG1 4.29Å; Y307-V385 HydrophobicContact CG-CB 4.38Å; Y307-V385 HydrophobicContact CG-CG1 3.44Å; Y307-V385 VanDerWaalsContact CG-CG1 3.44Å; Y307-V385 HydrophobicContact CG-CG2 4.11Å; Y307-C388 HydrophobicContact CE2-CB 4.4Å; Y307-C388 VanDerWaalsContact OH-CB 3.22Å; Y307-C388 WeakPolarHBondContact OH-CB 3.48Å; Y307-Q389 HydrophobicContact CD2-CG 3.64Å; Y307-Q389 HydrophobicContact CE2-CG 3.7Å
308T86.8Confident81Confident0 Ų064.8 Ų64.80%031%0.314CS..Hα-helixtrans-65.7-44.5-178.9-55.60000111I304 R305 R306 R311 S312 H329I304-T308 WeakPolarHBondContact O-CB 3.2Å; I304-T308 PolarHBondContact O-N 3.46Å; I304-T308 PolarHBondContact O-OG1 3.31Å; R305-T308 PolarHBondContact O-N 2.92Å; R306-T308 VanDerWaalsContact C-N 3.34Å; T308-R311 PolarHBondContact O-N 3.03Å; T308-S312 VanDerWaalsContact O-CB 3.28Å; T308-S312 WeakPolarHBondContact O-CB 3.46Å; T308-S312 PolarHBondContact O-N 2.74Å; T308-H329 WeakPolarHBondContact CG2-CE1 3.5Å; T308-H329 VanDerWaalsContact CG2-ND1 3.32Å; T308-H329 WeakPolarHBondContact CG2-ND1 3.49Å; T308-H329 WeakPolarHBondContact CG2-NE2 3.39Å
309D85.4Confident80.9Confident77 Ų7771.7 Ų71.741%0.41235%0.351SS..Hα-helixtrans-63.3-45.8176.6-67.9-18.8000111R305 R311 S312R305-D309 WeakPolarHBondContact CG-OD2 3.28Å; R305-D309 IonicContact NE-OD2 2.67Å; R305-D309 WeakPolarHBondContact O-CB 2.97Å; R305-D309 VanDerWaalsContact O-CG 3.24Å; R305-D309 PolarHBondContact O-N 2.97Å; D309-R311 PolarHBondContact O-N 3.08Å; D309-S312 PolarHBondContact O-N 3.01Å; D309-S312 PolarHBondContact O-OG 2.87Å
310Q84Confident80.7Confident127 Ų12772.8 Ų72.859%0.59336%0.364SS*.Hα-helixtrans-61.9-40.5177.9-76.5169.20.500113.1R306 Y307R306-Q310 VanDerWaalsContact O-CB 3.31Å; R306-Q310 WeakPolarHBondContact O-CB 3.38Å; R306-Q310 WeakPolarHBondContact O-CG 3.41Å; R306-Q310 PolarHBondContact O-N 3.14Å; Y307-Q310 PolarHBondContact O-N 3.31Å
311R77.3Confident80.4Confident76 Ų7672.5 Ų72.529%0.28736%0.362SS..Hα-helixtrans-85.4-20.9-177.6-67.9-63.7-173.8178.91.4113.8Y307 T308 D309 L313 D314 F317Y307-R311 HydrophobicContact CD1-CG 4.49Å; Y307-R311 HydrophobicContact CD2-CG 4.22Å; Y307-R311 HydrophobicContact CE1-CG 4.14Å; Y307-R311 HydrophobicContact CE2-CG 3.9Å; Y307-R311 WeakPolarHBondContact O-CB 3.17Å; Y307-R311 WeakPolarHBondContact O-CG 3.31Å; Y307-R311 PolarHBondContact O-N 3.47Å; T308-R311 PolarHBondContact O-N 3.03Å; D309-R311 PolarHBondContact O-N 3.08Å; R311-L313 PolarHBondContact O-N 3.35Å; R311-D314 IonicContact NH1-OD2 2.74Å; R311-D314 PolarHBondContact NH1-OD2 3.14Å; R311-D314 PolarHBondContact O-N 3.37Å; R311-D314 VanDerWaalsContact O-N 3.16Å; R311-F317 HydrophobicContact CB-CD1 4.39Å; R311-F317 HydrophobicContact CB-CE1 4.32Å; R311-F317 HydrophobicContact CG-CE1 4.49Å; R311-F317 HydrophobicContact CG-CE2 4.48Å; R311-F317 HydrophobicContact CG-CZ 4.34Å
312S70.7Confident80.2Confident73 Ų7377.1 Ų77.151%0.5138%0.384SS..Hα-helixtrans-61.5-27.1176.571.70000113.6T308 D309T308-S312 VanDerWaalsContact O-CB 3.28Å; T308-S312 WeakPolarHBondContact O-CB 3.46Å; T308-S312 PolarHBondContact O-N 2.74Å; D309-S312 PolarHBondContact O-N 3.01Å; D309-S312 PolarHBondContact O-OG 2.87Å
313L68.8Low80.1Confident151 Ų15179.7 Ų79.779%0.79140%0.404SS*.THydrogen-bonded Turntrans-86.9-14.2-179.8-61.3173.3000113.1R311 R315R311-L313 PolarHBondContact O-N 3.35Å; L313-R315 PolarHBondContact O-N 3.43Å
314D71.9Confident80.1Confident52 Ų5279.8 Ų79.828%0.27840%0.404SS..  trans-9093.6-172.5-167.7-2.1000110.9R311 S316 F317R311-D314 IonicContact NH1-OD2 2.74Å; R311-D314 PolarHBondContact NH1-OD2 3.14Å; R311-D314 PolarHBondContact O-N 3.37Å; R311-D314 VanDerWaalsContact O-N 3.16Å; D314-S316 PolarHBondContact O-N 2.89Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 WeakPolarHBondContact OD1-CB 3.43Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 VanDerWaalsContact OD1-N 3.11Å; D314-S316 PolarHBondContact OD1-OG 3.34Å; D314-S316 PolarHBondContact OD2-OG 3.34Å; D314-F317 HydrophobicContact CB-CB 4.39Å; D314-F317 WeakPolarHBondContact O-CB 3.29Å; D314-F317 PolarHBondContact O-N 3.28Å
315R66.3Low80Confident242 Ų24280.2 Ų80.291%0.91341%0.407SS*.THydrogen-bonded Turntrans-61.6-15.6175-97-173.8168.2110.8-3.2113.6L313 F317L313-R315 PolarHBondContact O-N 3.43Å; R315-F317 VanDerWaalsContact C-N 3.29Å
316S68.8Low79.8Confident99 Ų9977.9 Ų77.969%0.69241%0.41SS*.THydrogen-bonded Turntrans-84-7.3176.779.10000113.2D314 G318D314-S316 PolarHBondContact O-N 2.89Å; D314-S316 VanDerWaalsContact O-N 3.12Å; D314-S316 WeakPolarHBondContact OD1-CB 3.43Å; D314-S316 PolarHBondContact OD1-N 2.89Å; D314-S316 VanDerWaalsContact OD1-N 3.11Å; D314-S316 PolarHBondContact OD1-OG 3.34Å; D314-S316 PolarHBondContact OD2-OG 3.34Å; S316-G318 PolarHBondContact O-N 2.96Å; S316-G318 VanDerWaalsContact O-N 3.07Å
317F69.8Low79.9Confident27 Ų2772.5 Ų72.512%0.11840%0.4CS..SBendtrans-71.6102.5172.5-150.3-125.7000107.8Y307 R311 D314 R315 G321 Q322 C325Y307-F317 WeakPolarHBondContact OH-CZ 3.24Å; R311-F317 HydrophobicContact CB-CD1 4.39Å; R311-F317 HydrophobicContact CB-CE1 4.32Å; R311-F317 HydrophobicContact CG-CE1 4.49Å; R311-F317 HydrophobicContact CG-CE2 4.48Å; R311-F317 HydrophobicContact CG-CZ 4.34Å; D314-F317 HydrophobicContact CB-CB 4.39Å; D314-F317 WeakPolarHBondContact O-CB 3.29Å; D314-F317 PolarHBondContact O-N 3.28Å; R315-F317 VanDerWaalsContact C-N 3.29Å; F317-G321 WeakPolarHBondContact CE1-O 3.04Å; F317-Q322 WeakPolarHBondContact O-CG 3.26Å; F317-Q322 PolarHBondContact O-NE2 3.17Å; F317-C325 VanDerWaalsContact CE1-SG 3.55Å
318G78.4Confident80.1Confident46 Ų4672.4 Ų72.447%0.47440%0.4SS..  trans-56171.2-17500000113.7S316 V320 G321 Q322S316-G318 PolarHBondContact O-N 2.96Å; S316-G318 VanDerWaalsContact O-N 3.07Å; G318-V320 PolarHBondContact O-N 3.36Å; G318-G321 WeakPolarHBondContact O-CA 3.48Å; G318-G321 PolarHBondContact O-N 2.88Å; G318-Q322 PolarHBondContact O-N 3.12Å
319L82.4Confident80.3Confident145 Ų14576.1 Ų76.176%0.75942%0.417SS*.Hα-helixtrans-51.5-38.2-173.6-67.7170.1000114Q322 S323L319-Q322 PolarHBondContact O-N 3.43Å; L319-S323 PolarHBondContact O-N 3.33Å
320V82.8Confident80.5Confident84 Ų8478.6 Ų78.651%0.50943%0.426SS..Hα-helixtrans-63.6-44.7176.4-179.10000111G318 S323 F324 F395G318-V320 PolarHBondContact O-N 3.36Å; V320-S323 PolarHBondContact O-N 3.23Å; V320-S323 PolarHBondContact O-OG 3.21Å; V320-F324 PolarHBondContact O-N 3.23Å; V320-F395 HydrophobicContact CB-CD2 4.44Å; V320-F395 HydrophobicContact CB-CE2 4.07Å; V320-F395 HydrophobicContact CB-CZ 4.34Å; V320-F395 HydrophobicContact CG1-CD1 4.18Å; V320-F395 HydrophobicContact CG1-CD2 4.13Å; V320-F395 HydrophobicContact CG1-CE1 3.93Å; V320-F395 HydrophobicContact CG1-CE2 3.87Å; V320-F395 HydrophobicContact CG1-CG 4.28Å; V320-F395 HydrophobicContact CG1-CZ 3.77Å
321G81.5Confident80.8Confident1 Ų175 Ų751%0.0141%0.409CS..Hα-helixtrans-62.1-43.817500000112.2F317 G318 S323 F324 C325F317-G321 WeakPolarHBondContact CE1-O 3.04Å; G318-G321 WeakPolarHBondContact O-CA 3.48Å; G318-G321 PolarHBondContact O-N 2.88Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.44Å; G321-F324 WeakPolarHBondContact O-CB 3.06Å; G321-F324 PolarHBondContact O-N 3.37Å; G321-F324 VanDerWaalsContact O-N 3.16Å; G321-C325 PolarHBondContact O-N 2.81Å
322Q83.9Confident81.4Confident97 Ų9771.8 Ų71.845%0.45340%0.398SS..Hα-helixtrans-60.4-42.7175.7-66.2179.7-1.600111.9F317 G318 L319 F324 C325 A326F317-Q322 WeakPolarHBondContact O-CG 3.26Å; F317-Q322 PolarHBondContact O-NE2 3.17Å; G318-Q322 PolarHBondContact O-N 3.12Å; L319-Q322 PolarHBondContact O-N 3.43Å; Q322-F324 VanDerWaalsContact C-N 3.33Å; Q322-F324 PolarHBondContact O-N 3.05Å; Q322-C325 PolarHBondContact O-N 3.11Å; Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 3.48Å
323S86.3Confident82.3Confident72 Ų7276.6 Ų76.650%0.50341%0.405SS..Hα-helixtrans-64.1-37175.773.10000112.4L319 V320 G321 A326 A327L319-S323 PolarHBondContact O-N 3.33Å; V320-S323 PolarHBondContact O-N 3.23Å; V320-S323 PolarHBondContact O-OG 3.21Å; G321-S323 VanDerWaalsContact C-N 3.32Å; G321-S323 PolarHBondContact O-N 3.44Å; S323-A326 PolarHBondContact O-N 2.77Å; S323-A327 PolarHBondContact O-N 3.45Å
324F86.4Confident83.3Confident38 Ų3873 Ų7317%0.16738%0.384CS..Hα-helixtrans-65.9-45.9174179.4-116000111.7Y307 V320 G321 Q322 A326 A327 L328 L384 V385 C388Y307-F324 HydrophobicContact CE1-CD1 4.17Å; Y307-F324 AromaticContact CE1-CE1 3.77Å; Y307-F324 HydrophobicContact CE1-CE1 3.77Å; V320-F324 PolarHBondContact O-N 3.23Å; G321-F324 WeakPolarHBondContact O-CB 3.06Å; G321-F324 PolarHBondContact O-N 3.37Å; G321-F324 VanDerWaalsContact O-N 3.16Å; Q322-F324 VanDerWaalsContact C-N 3.33Å; Q322-F324 PolarHBondContact O-N 3.05Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.62Å; F324-A327 WeakPolarHBondContact O-CB 3.17Å; F324-A327 PolarHBondContact O-N 3Å; F324-L328 HydrophobicContact CD1-CD1 4.06Å; F324-L328 HydrophobicContact CE1-CD1 3.64Å; F324-L328 HydrophobicContact CE1-CG 4.26Å; F324-L328 HydrophobicContact CE2-CD2 4.35Å; F324-L328 HydrophobicContact CE2-CG 4.34Å; F324-L328 HydrophobicContact CZ-CD1 3.92Å; F324-L328 HydrophobicContact CZ-CD2 4.13Å; F324-L328 HydrophobicContact CZ-CG 4.14Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.68Å; F324-L384 HydrophobicContact CE2-CB 4.29Å; F324-L384 HydrophobicContact CE2-CD1 4.4Å; F324-L384 HydrophobicContact CZ-CB 4Å; F324-V385 HydrophobicContact CE1-CG2 4.48Å; F324-V385 HydrophobicContact CZ-CG2 4.38Å; F324-C388 HydrophobicContact CE1-CB 4.38Å
325C85.9Confident84.1Confident9 Ų971 Ų716%0.06137%0.372CS..Hα-helixtrans-61.7-35.7173.6-75.70000112.5F317 G321 Q322 L328 H329F317-C325 VanDerWaalsContact CE1-SG 3.55Å; G321-C325 PolarHBondContact O-N 2.81Å; Q322-C325 PolarHBondContact O-N 3.11Å; C325-L328 PolarHBondContact O-N 3.29Å; C325-H329 PolarHBondContact O-N 2.68Å; C325-H329 PolarHBondContact O-ND1 2.69Å
326A86.4Confident85.3Confident58 Ų5863.3 Ų63.348%0.47934%0.344SS..Hα-helixtrans-65.7-41.6174.100000111.6Q322 S323 F324 H329 Q330Q322-A326 WeakPolarHBondContact O-CB 3.36Å; Q322-A326 PolarHBondContact O-N 3.48Å; S323-A326 PolarHBondContact O-N 2.77Å; F324-A326 VanDerWaalsContact C-N 3.29Å; F324-A326 PolarHBondContact O-N 2.62Å; A326-H329 PolarHBondContact O-N 3.29Å; A326-Q330 PolarHBondContact O-N 3.11Å
327A88.3Confident86.4Confident46 Ų4665.6 Ų65.638%0.3834%0.337SS..Hα-helixtrans-64-42.5174.500000112.1S323 F324 H329 Q330 E331S323-A327 PolarHBondContact O-N 3.45Å; F324-A327 WeakPolarHBondContact O-CB 3.17Å; F324-A327 PolarHBondContact O-N 3Å; A327-H329 VanDerWaalsContact C-N 3.35Å; A327-H329 PolarHBondContact O-N 3.07Å; A327-Q330 WeakPolarHBondContact O-CB 3.29Å; A327-Q330 PolarHBondContact O-N 3.49Å; A327-E331 WeakPolarHBondContact O-CG 3.43Å; A327-E331 PolarHBondContact O-N 2.65Å
328L89.7Confident87.3Confident1 Ų165.8 Ų65.81%0.00534%0.339CS..Hα-helixtrans-59.8-43.8174-69.9177.1000111.9I304 Y307 F324 C325 Q330 E331 L332 L381 V385I304-L328 HydrophobicContact CG2-CB 4.38Å; I304-L328 HydrophobicContact CG2-CD2 4.03Å; Y307-L328 HydrophobicContact CD1-CD1 3.68Å; Y307-L328 HydrophobicContact CE1-CD1 3.82Å; F324-L328 HydrophobicContact CD1-CD1 4.06Å; F324-L328 HydrophobicContact CE1-CD1 3.64Å; F324-L328 HydrophobicContact CE1-CG 4.26Å; F324-L328 HydrophobicContact CE2-CD2 4.35Å; F324-L328 HydrophobicContact CE2-CG 4.34Å; F324-L328 HydrophobicContact CZ-CD1 3.92Å; F324-L328 HydrophobicContact CZ-CD2 4.13Å; F324-L328 HydrophobicContact CZ-CG 4.14Å; F324-L328 WeakPolarHBondContact O-CG 3.36Å; F324-L328 PolarHBondContact O-N 2.68Å; C325-L328 PolarHBondContact O-N 3.29Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.26Å; L328-E331 PolarHBondContact O-N 2.9Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.45Å; L328-L381 HydrophobicContact CD2-CB 4.08Å; L328-L381 HydrophobicContact CD2-CD1 4.39Å; L328-L381 HydrophobicContact CD2-CD2 3.96Å; L328-L381 HydrophobicContact CD2-CG 4.35Å; L328-V385 HydrophobicContact CD1-CG2 3.84Å; L328-V385 HydrophobicContact CD2-CG2 4.2Å
329H90.2Very high87.8Confident77 Ų7764 Ų6436%0.35632%0.319SS..Hα-helixtrans-62.2-38.2174.8-82.4115.5000113.1T308 C325 A326 A327 E331 L332 R333T308-H329 WeakPolarHBondContact CG2-CE1 3.5Å; T308-H329 VanDerWaalsContact CG2-ND1 3.32Å; T308-H329 WeakPolarHBondContact CG2-ND1 3.49Å; T308-H329 WeakPolarHBondContact CG2-NE2 3.39Å; C325-H329 PolarHBondContact O-N 2.68Å; C325-H329 PolarHBondContact O-ND1 2.69Å; A326-H329 PolarHBondContact O-N 3.29Å; A327-H329 VanDerWaalsContact C-N 3.35Å; A327-H329 PolarHBondContact O-N 3.07Å; H329-E331 VanDerWaalsContact C-N 3.35Å; H329-L332 PolarHBondContact O-N 2.96Å; H329-R333 WeakPolarHBondContact O-CB 3.21Å; H329-R333 PolarHBondContact O-N 3.31Å
330Q89.8Confident88Confident129 Ų12960.9 Ų60.960%0.60331%0.309SS*.Hα-helixtrans-63.6-42.8176.8-179.6177-13.300111.3A326 A327 L328 R333 E334A326-Q330 PolarHBondContact O-N 3.11Å; A327-Q330 WeakPolarHBondContact O-CB 3.29Å; A327-Q330 PolarHBondContact O-N 3.49Å; L328-Q330 VanDerWaalsContact C-N 3.33Å; L328-Q330 PolarHBondContact O-N 3.26Å; Q330-R333 WeakPolarHBondContact O-CB 3.43Å; Q330-R333 PolarHBondContact O-N 3.36Å; Q330-E334 PolarHBondContact O-N 3.02Å; Q330-E334 VanDerWaalsContact O-N 3.09Å
331E90.3Very high88.3Confident52 Ų5259.6 Ų59.624%0.24330%0.302CS..Hα-helixtrans-66-42.7176.8-70.2-70.1119.200112.1A327 L328 H329 R333 E334 Y335 R377 L381A327-E331 WeakPolarHBondContact O-CG 3.43Å; A327-E331 PolarHBondContact O-N 2.65Å; L328-E331 PolarHBondContact O-N 2.9Å; H329-E331 VanDerWaalsContact C-N 3.35Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.48Å; E331-E334 PolarHBondContact O-N 3.43Å; E331-Y335 PolarHBondContact O-N 2.97Å; E331-R377 IonicContact OE1-CZ 3.21Å; E331-R377 IonicContact OE1-NH2 3.73Å; E331-R377 PolarHBondContact OE1-NH2 2.95Å; E331-R377 IonicContact OE2-CZ 3.84Å; E331-R377 IonicContact OE2-NE 2.89Å; E331-R377 PolarHBondContact OE2-NE 3.49Å; E331-R377 IonicContact OE2-NH2 3.17Å; E331-R377 PolarHBondContact OE2-NH2 3.44Å; E331-L381 HydrophobicContact CB-CD1 3.44Å; E331-L381 VanDerWaalsContact CB-CD1 3.44Å; E331-L381 HydrophobicContact CG-CD1 3.62Å; E331-L381 HydrophobicContact CG-CD2 4.48Å
332L90.8Very high88.5Confident9 Ų959.7 Ų59.75%0.04730%0.302CS..Hα-helixtrans-61.7-35.8172.5-71.7176.3000112I304 L328 H329 Y335 Y336 L378I304-L332 HydrophobicContact CB-CD2 4.42Å; I304-L332 HydrophobicContact CG2-CD1 4.06Å; I304-L332 HydrophobicContact CG2-CD2 4.11Å; I304-L332 HydrophobicContact CG2-CG 4.11Å; L328-L332 WeakPolarHBondContact O-CG 3.49Å; L328-L332 PolarHBondContact O-N 3.45Å; H329-L332 PolarHBondContact O-N 2.96Å; L332-Y335 WeakPolarHBondContact O-CB 3.48Å; L332-Y335 PolarHBondContact O-N 2.93Å; L332-Y336 HydrophobicContact CB-CE2 4.26Å; L332-Y336 WeakPolarHBondContact O-CD2 3.34Å; L332-Y336 PolarHBondContact O-N 2.91Å; L332-L378 HydrophobicContact CD2-CD2 4.41Å
333R90Very high88.5Confident173 Ų17358 Ų5865%0.65329%0.294SS*.Hα-helixtrans-65.1-41.9176.6-171.6177.4-68.9130.8-0.4111.9H329 Q330 E331 Y335 Y336 R337H329-R333 WeakPolarHBondContact O-CB 3.21Å; H329-R333 PolarHBondContact O-N 3.31Å; Q330-R333 WeakPolarHBondContact O-CB 3.43Å; Q330-R333 PolarHBondContact O-N 3.36Å; E331-R333 VanDerWaalsContact C-N 3.27Å; E331-R333 PolarHBondContact O-N 3.48Å; R333-Y335 VanDerWaalsContact C-N 3.31Å; R333-Y336 PolarHBondContact O-N 2.85Å; R333-R337 PolarHBondContact O-N 3.17Å
334E88.6Confident88.3Confident75 Ų7558 Ų5835%0.3529%0.293SS..Hα-helixtrans-66.3-37.3175.4-168.557.4-151.500111.4Q330 E331 R337 L338Q330-E334 PolarHBondContact O-N 3.02Å; Q330-E334 VanDerWaalsContact O-N 3.09Å; E331-E334 PolarHBondContact O-N 3.43Å; E334-R337 WeakPolarHBondContact O-CB 3.47Å; E334-R337 PolarHBondContact O-N 2.94Å; E334-R337 IonicContact OE1-CZ 3.41Å; E334-R337 IonicContact OE1-NE 3.63Å; E334-R337 PolarHBondContact OE1-NE 3.21Å; E334-R337 IonicContact OE1-NH2 3.35Å; E334-R337 PolarHBondContact OE1-NH2 3.19Å; E334-R337 IonicContact OE2-NE 2.9Å; E334-R337 PolarHBondContact OE2-NE 3.36Å; E334-L338 PolarHBondContact O-N 3.37Å; E334-L338 VanDerWaalsContact O-N 3.11Å
335Y90.3Very high88Confident11 Ų1158.3 Ų58.34%0.04330%0.296CS..Hα-helixtrans-59-46171.5172.5-101.3000112.4F258 L297 H301 E331 L332 R333 R337 L338 L339 P374 L378F258-Y335 VanDerWaalsContact CA-OH 3.26Å; F258-Y335 WeakPolarHBondContact CA-OH 3.07Å; F258-Y335 WeakPolarHBondContact CB-OH 3.38Å; F258-Y335 WeakPolarHBondContact CG-OH 3.43Å; F258-Y335 PolarHBondContact O-OH 2.88Å; L297-Y335 HydrophobicContact CD1-CE2 4.42Å; L297-Y335 HydrophobicContact CD2-CD2 4.49Å; L297-Y335 HydrophobicContact CD2-CE2 3.36Å; L297-Y335 WeakPolarHBondContact CD2-OH 3.39Å; L297-Y335 HydrophobicContact CG-CE2 4.36Å; H301-Y335 HydrophobicContact CB-CE1 4.39Å; H301-Y335 AromaticContact CD2-CD1 3.48Å; H301-Y335 VanDerWaalsContact CD2-CD1 3.48Å; H301-Y335 WeakPolarHBondContact CD2-CD1 3.38Å; H301-Y335 AromaticContact CD2-CE1 3.24Å; H301-Y335 WeakPolarHBondContact CD2-CE1 3.41Å; H301-Y335 AromaticContact CG-CE1 3.98Å; H301-Y335 AromaticContact NE2-CE1 3.94Å; E331-Y335 PolarHBondContact O-N 2.97Å; L332-Y335 WeakPolarHBondContact O-CB 3.48Å; L332-Y335 PolarHBondContact O-N 2.93Å; R333-Y335 VanDerWaalsContact C-N 3.31Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.92Å; Y335-L338 WeakPolarHBondContact O-CB 3.22Å; Y335-L338 PolarHBondContact O-N 2.78Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 PolarHBondContact O-N 3.39Å; Y335-P374 HydrophobicContact CD2-CB 4.39Å; Y335-L378 HydrophobicContact CD2-CD1 3.79Å; Y335-L378 HydrophobicContact CE2-CD1 4.07Å; Y335-L378 HydrophobicContact CG-CD1 4.39Å
336Y91.3Very high87.5Confident80 Ų8059 Ų5931%0.31430%0.299SS..Hα-helixtrans-66.2-34176.5-66.4-48.2000112.9H301 L332 R333 L338 L339 S340H301-Y336 PolarHBondContact CE1-OH 3.28Å; H301-Y336 AromaticContact NE2-CE1 3.21Å; H301-Y336 WeakPolarHBondContact NE2-CE1 3.35Å; H301-Y336 AromaticContact NE2-CZ 3.23Å; H301-Y336 PolarHBondContact NE2-OH 3.01Å; L332-Y336 HydrophobicContact CB-CE2 4.26Å; L332-Y336 WeakPolarHBondContact O-CD2 3.34Å; L332-Y336 PolarHBondContact O-N 2.91Å; R333-Y336 PolarHBondContact O-N 2.85Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 2.69Å; Y336-L339 HydrophobicContact CD1-CD2 4.21Å; Y336-L339 WeakPolarHBondContact O-CB 3.14Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; Y336-S340 PolarHBondContact O-N 3.14Å; Y336-S340 PolarHBondContact O-OG 3.3Å
337R90.6Very high86.7Confident147 Ų14762 Ų6256%0.55530%0.303SS*.Hα-helixtrans-60.9-43.9175.1-159.5-17171.379.33.3111.2R333 E334 Y335 S340 V341R333-R337 PolarHBondContact O-N 3.17Å; E334-R337 WeakPolarHBondContact O-CB 3.47Å; E334-R337 PolarHBondContact O-N 2.94Å; E334-R337 IonicContact OE1-CZ 3.41Å; E334-R337 IonicContact OE1-NE 3.63Å; E334-R337 PolarHBondContact OE1-NE 3.21Å; E334-R337 IonicContact OE1-NH2 3.35Å; E334-R337 PolarHBondContact OE1-NH2 3.19Å; E334-R337 IonicContact OE2-NE 2.9Å; E334-R337 PolarHBondContact OE2-NE 3.36Å; Y335-R337 VanDerWaalsContact C-N 3.32Å; Y335-R337 PolarHBondContact O-N 2.92Å; R337-S340 PolarHBondContact O-N 2.94Å; R337-V341 PolarHBondContact O-N 3.11Å
338L89.5Confident85.5Confident31 Ų3164.8 Ų64.816%0.16231%0.311CS..Hα-helixtrans-61.7-44.4171.9174.566.4000111.5E334 Y335 Y336 S340 V341 L342 W370 P374E334-L338 PolarHBondContact O-N 3.37Å; E334-L338 VanDerWaalsContact O-N 3.11Å; Y335-L338 WeakPolarHBondContact O-CB 3.22Å; Y335-L338 PolarHBondContact O-N 2.78Å; Y336-L338 VanDerWaalsContact C-N 3.33Å; Y336-L338 PolarHBondContact O-N 2.69Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 3.35Å; L338-V341 WeakPolarHBondContact O-CB 3.37Å; L338-V341 PolarHBondContact O-N 3.39Å; L338-V341 VanDerWaalsContact O-N 3.08Å; L338-L342 HydrophobicContact CD1-CG 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.17Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.27Å; L338-W370 HydrophobicContact CD1-CE3 3.87Å; L338-W370 HydrophobicContact CD1-CZ3 4.38Å; L338-P374 HydrophobicContact CD2-CB 4.22Å; L338-P374 HydrophobicContact CD2-CG 3.28Å
339L88Confident84.1Confident10 Ų1068.6 Ų68.65%0.05233%0.328CS..Hα-helixtrans-60.6-37.3-179.8-168.860.5000112.3L255 F258 Q259 Y335 Y336 L342 H343L255-L339 HydrophobicContact CD2-CD1 3.82Å; F258-L339 HydrophobicContact CB-CD1 3.78Å; F258-L339 HydrophobicContact CD2-CD1 3.96Å; F258-L339 HydrophobicContact CG-CD1 4.4Å; Q259-L339 HydrophobicContact CG-CD2 3.63Å; Y335-L339 HydrophobicContact CE1-CD2 4.28Å; Y335-L339 PolarHBondContact O-N 3.39Å; Y336-L339 HydrophobicContact CD1-CD2 4.21Å; Y336-L339 WeakPolarHBondContact O-CB 3.14Å; Y336-L339 PolarHBondContact O-N 2.89Å; Y336-L339 VanDerWaalsContact O-N 3.14Å; L339-L342 PolarHBondContact O-N 3.47Å; L339-H343 PolarHBondContact O-N 3.17Å
340S88.2Confident82.4Confident78 Ų7870.8 Ų70.855%0.54534%0.343SS..Hα-helixtrans-62.9-38.7173.4-60.50000112.7Y336 R337 L338 H343 S344Y336-S340 PolarHBondContact O-N 3.14Å; Y336-S340 PolarHBondContact O-OG 3.3Å; R337-S340 PolarHBondContact O-N 2.94Å; L338-S340 VanDerWaalsContact C-N 3.28Å; L338-S340 PolarHBondContact O-N 3.35Å; S340-H343 PolarHBondContact O-N 3.41Å; S340-S344 PolarHBondContact O-N 2.63Å
341V87.3Confident80.6Confident58 Ų5870.8 Ų70.835%0.35235%0.347SS..Hα-helixtrans-65.7-43.3175.6178.50000110.7R337 L338 S344 Q345 W370R337-V341 PolarHBondContact O-N 3.11Å; L338-V341 WeakPolarHBondContact O-CB 3.37Å; L338-V341 PolarHBondContact O-N 3.39Å; L338-V341 VanDerWaalsContact O-N 3.08Å; V341-S344 PolarHBondContact O-N 3.04Å; V341-Q345 PolarHBondContact O-N 3.3Å; V341-Q345 VanDerWaalsContact O-N 3.12Å; V341-W370 HydrophobicContact CG1-CH2 4.28Å; V341-W370 HydrophobicContact CG1-CZ3 3.78Å
342L86.1Confident78.5Confident2 Ų274.2 Ų74.21%0.0136%0.363CS..Hα-helixtrans-63-41.5176.4-65.7172.1000111.5L255 L338 L339 Q345 L346 L362 L367 W370L255-L342 HydrophobicContact CD2-CB 3.91Å; L255-L342 HydrophobicContact CD2-CD1 4.2Å; L338-L342 HydrophobicContact CD1-CG 4.46Å; L338-L342 HydrophobicContact CG-CD1 4.17Å; L338-L342 HydrophobicContact CG-CG 4.5Å; L338-L342 WeakPolarHBondContact O-CG 3.31Å; L338-L342 PolarHBondContact O-N 3.27Å; L339-L342 PolarHBondContact O-N 3.47Å; L342-Q345 PolarHBondContact O-N 2.93Å; L342-L346 PolarHBondContact O-N 3.11Å; L342-L346 VanDerWaalsContact O-N 3.17Å; L342-L362 HydrophobicContact CD2-CD2 3.88Å; L342-L362 WeakPolarHBondContact O-CD1 3.32Å; L342-L367 HydrophobicContact CD1-CD1 3.8Å; L342-L367 HydrophobicContact CD2-CD1 3.89Å; L342-L367 HydrophobicContact CG-CD1 4.37Å; L342-W370 HydrophobicContact CD2-CB 4.35Å; L342-W370 HydrophobicContact CD2-CD2 4.15Å; L342-W370 HydrophobicContact CD2-CE3 3.69Å; L342-W370 HydrophobicContact CD2-CG 4.45Å; L342-W370 HydrophobicContact CD2-CZ3 4.37Å; L342-W370 HydrophobicContact CG-CE3 4.5Å
343H84.3Confident76.6Confident62 Ų6277.9 Ų77.929%0.28740%0.403SS..Hα-helixtrans-63.3-41.1174.1-93.2-59.9000112.9Q259 L339 S340 Q345 L346 Q347Q259-H343 PolarHBondContact NE2-CE1 2.9Å; Q259-H343 PolarHBondContact NE2-NE2 3.1Å; L339-H343 PolarHBondContact O-N 3.17Å; S340-H343 PolarHBondContact O-N 3.41Å; H343-Q345 VanDerWaalsContact C-N 3.27Å; H343-Q345 PolarHBondContact O-N 3.12Å; H343-L346 PolarHBondContact O-N 3.4Å; H343-L346 VanDerWaalsContact O-N 3.14Å; H343-Q347 PolarHBondContact O-N 2.75Å
344S82.1Confident74.2Confident71 Ų7174.7 Ų74.750%0.49740%0.403SS..Hα-helixtrans-61.9-35.8176.9-175.30000112.5S340 V341 L346 L348S340-S344 PolarHBondContact O-N 2.63Å; V341-S344 PolarHBondContact O-N 3.04Å; S344-L346 VanDerWaalsContact C-N 3.35Å; S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.34Å
345Q79.3Confident72.3Confident45 Ų4579.3 Ų79.321%0.2143%0.43CS..Hα-helixtrans-70.3-33176.3-73.8-175.2-18.600112.2V341 L342 H343 L362V341-Q345 PolarHBondContact O-N 3.3Å; V341-Q345 VanDerWaalsContact O-N 3.12Å; L342-Q345 PolarHBondContact O-N 2.93Å; H343-Q345 VanDerWaalsContact C-N 3.27Å; H343-Q345 PolarHBondContact O-N 3.12Å; Q345-L362 HydrophobicContact CB-CD1 3.45Å; Q345-L362 VanDerWaalsContact CB-CD1 3.45Å; Q345-L362 HydrophobicContact CB-CG 3.9Å
346L76.6Confident69.8Low25 Ų2586.1 Ų86.113%0.13147%0.466CS..Hα-helixtrans-73.7-38.6176.9-175.771.7000112V251 R252 L255 L342 H343 S344 L348 E349 L362V251-L346 HydrophobicContact CG1-CD1 4.24Å; R252-L346 HydrophobicContact CG-CD1 3.95Å; R252-L346 HydrophobicContact CG-CD2 3.62Å; R252-L346 HydrophobicContact CG-CG 4.29Å; L255-L346 HydrophobicContact CD1-CB 4.26Å; L255-L346 HydrophobicContact CD1-CD2 3.66Å; L255-L346 HydrophobicContact CD1-CG 4.45Å; L342-L346 PolarHBondContact O-N 3.11Å; L342-L346 VanDerWaalsContact O-N 3.17Å; H343-L346 PolarHBondContact O-N 3.4Å; H343-L346 VanDerWaalsContact O-N 3.14Å; S344-L346 VanDerWaalsContact C-N 3.35Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.25Å; L346-E349 WeakPolarHBondContact O-CB 3.45Å; L346-E349 PolarHBondContact O-N 3.13Å; L346-E349 VanDerWaalsContact O-N 3.11Å; L346-L362 HydrophobicContact CB-CD1 4.1Å
347Q69.4Low67.4Low120 Ų12084.7 Ų84.756%0.56148%0.476SS*.Hα-helixtrans-62.4-36.8178.7-167.875.622.700112.1H343 E349 D350H343-Q347 PolarHBondContact O-N 2.75Å; Q347-E349 PolarHBondContact O-N 3.33Å; Q347-D350 PolarHBondContact O-N 3.33Å
348L64Low65.3Low105 Ų10584.3 Ų84.355%0.5548%0.484SS..Hα-helixtrans-65.6-22.3176.4-69.8172.8000113.1S344 L346S344-L348 WeakPolarHBondContact O-CG 3.35Å; S344-L348 PolarHBondContact O-N 3.34Å; L346-L348 VanDerWaalsContact C-N 3.3Å; L346-L348 PolarHBondContact O-N 3.25Å
349E58.6Low63.1Low80 Ų8090.3 Ų90.337%0.37451%0.511SS..Hα-helixtrans-82.6-25.9179.2-152176.315500112.3L346 Q347 L362L346-E349 WeakPolarHBondContact O-CB 3.45Å; L346-E349 PolarHBondContact O-N 3.13Å; L346-E349 VanDerWaalsContact O-N 3.11Å; Q347-E349 PolarHBondContact O-N 3.33Å; E349-L362 PolarHBondContact OE2-N 2.84Å
350D56.3Low61.5Low123 Ų12392.8 Ų92.866%0.65853%0.53SS*.Hα-helixtrans-84-31.6-176.4-135.937.1000112.7Q347Q347-D350 PolarHBondContact O-N 3.33Å
351D51.1Low60.3Low130 Ų13090.7 Ų90.770%0.69552%0.515SS*.SBendtrans-85.7-14.6-177.1-84-20000114.4
352Q46.8Very low59.6Low123 Ų12388.2 Ų88.258%0.57550%0.5SS*.  trans-130.988.2-179-68.5-179.84200110.7V354Q352-V354 PolarHBondContact O-N 2.91Å
353G49.4Very low59.5Low87 Ų8789.9 Ų89.990%0.89751%0.51SS*.  trans-64.426.2168.600000114.9
354V40.7Very low59.3Low105 Ų10587 Ų8764%0.63650%0.497SS*.SBendtrans-117.1116.8-179.7-153.70000107.4Q352 L356Q352-V354 PolarHBondContact O-N 2.91Å; V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.17Å
355N47.5Very low59.3Low172 Ų17293.3 Ų93.392%0.9251%0.51SS*.  trans-57.984.4174-84.6-84.9000110.9
356L39.3Very low59.4Low154 Ų15494.8 Ų94.881%0.80651%0.514SS*.  trans-121.898.6167.9-127.180.5000109.1V354V354-L356 VanDerWaalsContact C-N 3.27Å; V354-L356 PolarHBondContact O-N 3.17Å
357G39.7Very low59.9Low51 Ų5193.6 Ų93.653%0.52651%0.507SS..  trans99.989.3167.200000115E359 S360G357-E359 PolarHBondContact O-N 3.22Å; G357-S360 PolarHBondContact O-N 3.2Å
358L46.4Very low60.6Low139 Ų13990.7 Ų90.773%0.72850%0.495SS*.THydrogen-bonded Turntrans-50.7-13.3165-174.860.8000113.7R366L358-R366 PolarHBondContact O-NH1 2.92Å; L358-R366 PolarHBondContact O-NH2 3.43Å
359E44.8Very low61.7Low156 Ų15690.8 Ų90.873%0.72950%0.5SS*.THydrogen-bonded Turntrans-80.2-20.7-177.7-60.6-55132.800114.7G357 R366G357-E359 PolarHBondContact O-N 3.22Å; E359-R366 PolarHBondContact O-NH1 3.07Å
360S52.9Low63Low62 Ų6291.9 Ų91.943%0.43450%0.501SS..THydrogen-bonded Turntrans-116.5-4.7-174.4-1630000116.5G357G357-S360 PolarHBondContact O-N 3.2Å
361S63.5Low64.5Low34 Ų3486.1 Ų86.124%0.23847%0.47CS..  trans-70.1134.4178.157.20000112T363 R366S361-T363 PolarHBondContact O-N 3.3Å; S361-R366 WeakPolarHBondContact O-CD 3.4Å; S361-R366 PolarHBondContact O-NH1 3Å
362L72.4Confident66.3Low6 Ų687.6 Ų87.63%0.03147%0.467CS..  trans-80.3108.9178.8-94.4165.4000109.7V251 L342 Q345 L346 E349 L367V251-L362 HydrophobicContact CG1-CB 4.08Å; L342-L362 HydrophobicContact CD2-CD2 3.88Å; L342-L362 WeakPolarHBondContact O-CD1 3.32Å; Q345-L362 HydrophobicContact CB-CD1 3.45Å; Q345-L362 VanDerWaalsContact CB-CD1 3.45Å; Q345-L362 HydrophobicContact CB-CG 3.9Å; L346-L362 HydrophobicContact CB-CD1 4.1Å; E349-L362 PolarHBondContact OE2-N 2.84Å; L362-L367 HydrophobicContact CD2-CD1 4.36Å
363T83.9Confident68.1Low38 Ų3886 Ų8623%0.23346%0.463CS..  trans-98.7158.617262.40000110.8E247 S361 R365 R366 L367E247-T363 WeakPolarHBondContact OE1-CB 3.43Å; S361-T363 PolarHBondContact O-N 3.3Å; T363-R365 PolarHBondContact O-N 3.41Å; T363-R366 PolarHBondContact O-N 3.02Å; T363-R366 VanDerWaalsContact O-N 3.11Å; T363-R366 WeakPolarHBondContact OG1-CG 3.27Å; T363-R366 PolarHBondContact OG1-N 3.28Å; T363-L367 PolarHBondContact O-N 2.97Å
364L81.2Confident69.9Low2 Ų282.6 Ų82.61%0.0143%0.425CS..Hα-helixtrans-60.4-31.5175.7-71.9171.7000111.8E247 L250 V251 I254 L287 T290 L294 L368E247-L364 HydrophobicContact CG-CD1 3.91Å; E247-L364 HydrophobicContact CG-CG 3.89Å; E247-L364 PolarHBondContact OE1-N 3.33Å; L250-L364 HydrophobicContact CB-CD1 4.25Å; L250-L364 HydrophobicContact CB-CD2 4.33Å; L250-L364 HydrophobicContact CD1-CD1 4.03Å; V251-L364 HydrophobicContact CG2-CD2 3.82Å; V251-L364 HydrophobicContact CG2-CG 3.94Å; I254-L364 HydrophobicContact CG1-CD2 4.35Å; L287-L364 HydrophobicContact CD2-CD1 3.6Å; T290-L364 HydrophobicContact CG2-CB 4.21Å; L294-L364 HydrophobicContact CD1-CD2 3.98Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.41Å
365R81.3Confident72Confident203 Ų20379.1 Ų79.177%0.76640%0.401SS*.Hα-helixtrans-68-45175.4-65.3-175.4-178.4-154.61.6111.6T363 L367 L368 V369T363-R365 PolarHBondContact O-N 3.41Å; R365-L367 VanDerWaalsContact C-N 3.33Å; R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.86Å; R365-V369 PolarHBondContact O-N 2.99Å
366R82.6Confident74Confident76 Ų7674.6 Ų74.629%0.28738%0.376SS..Hα-helixtrans-61.1-44.8174.6-77.4178174.5161-0.6110.4L358 E359 S361 T363 L368 V369 W370L358-R366 PolarHBondContact O-NH1 2.92Å; L358-R366 PolarHBondContact O-NH2 3.43Å; E359-R366 PolarHBondContact O-NH1 3.07Å; S361-R366 WeakPolarHBondContact O-CD 3.4Å; S361-R366 PolarHBondContact O-NH1 3Å; T363-R366 PolarHBondContact O-N 3.02Å; T363-R366 VanDerWaalsContact O-N 3.11Å; T363-R366 WeakPolarHBondContact OG1-CG 3.27Å; T363-R366 PolarHBondContact OG1-N 3.28Å; R366-L368 VanDerWaalsContact C-N 3.29Å; R366-L368 PolarHBondContact O-N 3.48Å; R366-V369 PolarHBondContact O-N 3.46Å; R366-V369 VanDerWaalsContact O-N 3.12Å; R366-W370 PolarHBondContact O-N 3.17Å
367L85.2Confident76.2Confident0 Ų071 Ų710%035%0.352CS..Hα-helixtrans-59.1-39.4177-161.173.6000112.4I254 L255 F258 L294 L342 L362 T363 R365 V369 W370 T371I254-L367 HydrophobicContact CB-CD2 4.09Å; I254-L367 HydrophobicContact CG2-CD2 3.41Å; I254-L367 VanDerWaalsContact CG2-CD2 3.41Å; L255-L367 HydrophobicContact CD2-CD1 4.18Å; F258-L367 HydrophobicContact CE2-CD1 4.12Å; F258-L367 HydrophobicContact CE2-CD2 4.04Å; F258-L367 HydrophobicContact CE2-CG 4.1Å; F258-L367 HydrophobicContact CZ-CD2 4.11Å; F258-L367 HydrophobicContact CZ-CG 4.36Å; L294-L367 HydrophobicContact CD1-CD2 4.06Å; L294-L367 HydrophobicContact CD2-CB 4.47Å; L294-L367 HydrophobicContact CD2-CD2 4.18Å; L294-L367 HydrophobicContact CD2-CG 4.19Å; L342-L367 HydrophobicContact CD1-CD1 3.8Å; L342-L367 HydrophobicContact CD2-CD1 3.89Å; L342-L367 HydrophobicContact CG-CD1 4.37Å; L362-L367 HydrophobicContact CD2-CD1 4.36Å; T363-L367 PolarHBondContact O-N 2.97Å; R365-L367 VanDerWaalsContact C-N 3.33Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.28Å; L367-W370 PolarHBondContact O-N 2.97Å; L367-T371 HydrophobicContact CG-CG2 4.3Å; L367-T371 VanDerWaalsContact O-CB 3.29Å; L367-T371 WeakPolarHBondContact O-CB 3.45Å; L367-T371 WeakPolarHBondContact O-CG2 3.43Å; L367-T371 PolarHBondContact O-N 3.26Å; L367-T371 PolarHBondContact O-OG1 3Å
368L84.6Confident78.6Confident58 Ų5868.9 Ų68.930%0.30433%0.328SS..Hα-helixtrans-62.9-39176.7-169.571.1000112.7R293 L294 L364 R365 R366 T371 Y372R293-L368 HydrophobicContact CB-CD1 4.46Å; L294-L368 HydrophobicContact CD2-CB 4.38Å; L294-L368 HydrophobicContact CD2-CD1 4.02Å; L294-L368 HydrophobicContact CG-CD1 4.21Å; L364-L368 WeakPolarHBondContact O-CB 3.33Å; L364-L368 PolarHBondContact O-N 3.41Å; R365-L368 WeakPolarHBondContact O-CB 3.44Å; R365-L368 PolarHBondContact O-N 2.86Å; R366-L368 VanDerWaalsContact C-N 3.29Å; R366-L368 PolarHBondContact O-N 3.48Å; L368-T371 PolarHBondContact O-OG1 3.3Å; L368-Y372 PolarHBondContact O-N 3.43Å
369V86.7Confident80.7Confident107 Ų10766.2 Ų66.265%0.64831%0.311SS*.Hα-helixtrans-70.5-46.7177.2176.50000110.6R365 R366 L367 T371 Y372R365-V369 PolarHBondContact O-N 2.99Å; R366-V369 PolarHBondContact O-N 3.46Å; R366-V369 VanDerWaalsContact O-N 3.12Å; L367-V369 VanDerWaalsContact C-N 3.34Å; L367-V369 PolarHBondContact O-N 3.28Å; V369-T371 VanDerWaalsContact C-N 3.25Å; V369-T371 PolarHBondContact O-N 2.85Å; V369-Y372 VanDerWaalsContact O-CB 3.28Å; V369-Y372 WeakPolarHBondContact O-CB 3.12Å; V369-Y372 PolarHBondContact O-N 3.21Å
370W87.2Confident82.8Confident103 Ų10362.8 Ų62.839%0.3930%0.3SS..Hα-helixtrans-64.9-30.9-178.5-78.854.7000112.8L338 V341 L342 R366 L367L338-W370 HydrophobicContact CD1-CE3 3.87Å; L338-W370 HydrophobicContact CD1-CZ3 4.38Å; V341-W370 HydrophobicContact CG1-CH2 4.28Å; V341-W370 HydrophobicContact CG1-CZ3 3.78Å; L342-W370 HydrophobicContact CD2-CB 4.35Å; L342-W370 HydrophobicContact CD2-CD2 4.15Å; L342-W370 HydrophobicContact CD2-CE3 3.69Å; L342-W370 HydrophobicContact CD2-CG 4.45Å; L342-W370 HydrophobicContact CD2-CZ3 4.37Å; L342-W370 HydrophobicContact CG-CE3 4.5Å; R366-W370 PolarHBondContact O-N 3.17Å; L367-W370 PolarHBondContact O-N 2.97Å
371T87Confident84.5Confident3 Ų361 Ų612%0.01829%0.286CS..THydrogen-bonded Turntrans-89.7-2.7-179.756.90000113.6F258 L294 L297 L367 L368 V369 K375F258-T371 HydrophobicContact CE2-CG2 3.4Å; F258-T371 VanDerWaalsContact CE2-CG2 3.4Å; F258-T371 HydrophobicContact CZ-CG2 3.57Å; L294-T371 WeakPolarHBondContact CD2-OG1 3.35Å; L297-T371 HydrophobicContact CD1-CG2 4.19Å; L367-T371 HydrophobicContact CG-CG2 4.3Å; L367-T371 VanDerWaalsContact O-CB 3.29Å; L367-T371 WeakPolarHBondContact O-CB 3.45Å; L367-T371 WeakPolarHBondContact O-CG2 3.43Å; L367-T371 PolarHBondContact O-N 3.26Å; L367-T371 PolarHBondContact O-OG1 3Å; L368-T371 PolarHBondContact O-OG1 3.3Å; V369-T371 VanDerWaalsContact C-N 3.25Å; V369-T371 PolarHBondContact O-N 2.85Å; T371-K375 WeakPolarHBondContact O-CB 3.42Å; T371-K375 PolarHBondContact O-N 3.12Å
372Y88.4Confident85.6Confident160 Ų16059.6 Ų59.663%0.62728%0.276SS*.Hα-helixtrans-60.5-53.3-174.5-175.6-96.9000112.9L368 V369 K375 I376L368-Y372 PolarHBondContact O-N 3.43Å; V369-Y372 VanDerWaalsContact O-CB 3.28Å; V369-Y372 WeakPolarHBondContact O-CB 3.12Å; V369-Y372 PolarHBondContact O-N 3.21Å; Y372-K375 PolarHBondContact O-N 2.95Å; Y372-I376 HydrophobicContact CD1-CD1 3.96Å; Y372-I376 HydrophobicContact CE1-CD1 3.46Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.46Å; Y372-I376 HydrophobicContact CE2-CD1 4.41Å; Y372-I376 WeakPolarHBondContact O-CG1 3.48Å; Y372-I376 PolarHBondContact O-N 3.45Å
373D84.4Confident86.4Confident91 Ų9161.3 Ų61.349%0.48729%0.292SS..Hα-helixtrans-67.2-50.2179.9178.2-87.6000112.8K375 I376 R377D373-K375 PolarHBondContact O-N 3.25Å; D373-I376 PolarHBondContact O-N 3.3Å; D373-I376 VanDerWaalsContact O-N 3.09Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.12Å; D373-R377 VanDerWaalsContact OD1-CD 3.29Å; D373-R377 WeakPolarHBondContact OD1-CD 3.34Å; D373-R377 IonicContact OD1-NH1 3.83Å
374P88.3Confident86.5Confident15 Ų1562.7 Ų62.710%0.09730%0.297CS..Hα-helixtrans-55.2-38.3174.5-22.126.3000113Y335 L338 I376 R377 L378Y335-P374 HydrophobicContact CD2-CB 4.39Å; L338-P374 HydrophobicContact CD2-CB 4.22Å; L338-P374 HydrophobicContact CD2-CG 3.28Å; P374-I376 PolarHBondContact O-N 2.85Å; P374-R377 PolarHBondContact O-N 3.14Å; P374-L378 VanDerWaalsContact O-CB 3.3Å; P374-L378 WeakPolarHBondContact O-CB 3.23Å; P374-L378 WeakPolarHBondContact O-CD1 3.5Å; P374-L378 VanDerWaalsContact O-CG 3.3Å; P374-L378 WeakPolarHBondContact O-CG 3.47Å; P374-L378 PolarHBondContact O-N 3.4Å
375K85.6Confident86.8Confident31 Ų3162.6 Ų62.614%0.13530%0.297CS..Hα-helixtrans-60.9-44.9178.3-174.8170.3177.9169.90111.8R293 E296 L297 T371 Y372 D373 K379R293-K375 PolarHBondContact O-NZ 3.01Å; E296-K375 WeakPolarHBondContact OE2-CE 3.32Å; E296-K375 IonicContact OE2-NZ 3.54Å; E296-K375 PolarHBondContact OE2-NZ 3.49Å; L297-K375 HydrophobicContact CD1-CB 3.98Å; T371-K375 WeakPolarHBondContact O-CB 3.42Å; T371-K375 PolarHBondContact O-N 3.12Å; Y372-K375 PolarHBondContact O-N 2.95Å; D373-K375 PolarHBondContact O-N 3.25Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.14Å; K375-K379 PolarHBondContact O-N 2.77Å
376I87.7Confident87.1Confident78 Ų7856.2 Ų56.240%0.428%0.278SS..Hα-helixtrans-64.8-46.3-180-66.2169000109.8Y372 D373 P374 K379 T380Y372-I376 HydrophobicContact CD1-CD1 3.96Å; Y372-I376 HydrophobicContact CE1-CD1 3.46Å; Y372-I376 VanDerWaalsContact CE1-CD1 3.46Å; Y372-I376 HydrophobicContact CE2-CD1 4.41Å; Y372-I376 WeakPolarHBondContact O-CG1 3.48Å; Y372-I376 PolarHBondContact O-N 3.45Å; D373-I376 PolarHBondContact O-N 3.3Å; D373-I376 VanDerWaalsContact O-N 3.09Å; P374-I376 PolarHBondContact O-N 2.85Å; I376-K379 WeakPolarHBondContact O-CB 3.48Å; I376-K379 PolarHBondContact O-N 3.17Å; I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 VanDerWaalsContact O-N 3.11Å; I376-T380 PolarHBondContact O-OG1 2.91Å
377R87.3Confident87Confident78 Ų7859.9 Ų59.929%0.29430%0.298SS..Hα-helixtrans-59.2-50.2177.5-69.3168.959.5-168.25.4111.9E331 D373 P374 K379 T380 L381E331-R377 IonicContact OE1-CZ 3.21Å; E331-R377 IonicContact OE1-NH2 3.73Å; E331-R377 PolarHBondContact OE1-NH2 2.95Å; E331-R377 IonicContact OE2-CZ 3.84Å; E331-R377 IonicContact OE2-NE 2.89Å; E331-R377 PolarHBondContact OE2-NE 3.49Å; E331-R377 IonicContact OE2-NH2 3.17Å; E331-R377 PolarHBondContact OE2-NH2 3.44Å; D373-R377 PolarHBondContact O-N 3.46Å; D373-R377 VanDerWaalsContact O-N 3.12Å; D373-R377 VanDerWaalsContact OD1-CD 3.29Å; D373-R377 WeakPolarHBondContact OD1-CD 3.34Å; D373-R377 IonicContact OD1-NH1 3.83Å; P374-R377 PolarHBondContact O-N 3.14Å; R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.07Å; R377-T380 PolarHBondContact O-N 3.39Å; R377-T380 VanDerWaalsContact O-N 3.17Å; R377-L381 WeakPolarHBondContact O-CG 3.43Å; R377-L381 PolarHBondContact O-N 3.28Å
378L88.6Confident86.5Confident7 Ų761.7 Ų61.74%0.03731%0.31CS..Hα-helixtrans-59.1-37176.9-77.4157.6000112.2L297 L300 I304 L332 Y335 P374 L381 A382L297-L378 HydrophobicContact CD1-CD1 4.33Å; L297-L378 HydrophobicContact CD2-CD1 4.3Å; L297-L378 HydrophobicContact CG-CD1 4.02Å; L300-L378 HydrophobicContact CB-CB 4.17Å; L300-L378 HydrophobicContact CD1-CB 4.38Å; I304-L378 HydrophobicContact CD1-CB 4.39Å; I304-L378 HydrophobicContact CD1-CD2 3.53Å; I304-L378 WeakPolarHBondContact CD1-O 3.15Å; L332-L378 HydrophobicContact CD2-CD2 4.41Å; Y335-L378 HydrophobicContact CD2-CD1 3.79Å; Y335-L378 HydrophobicContact CE2-CD1 4.07Å; Y335-L378 HydrophobicContact CG-CD1 4.39Å; P374-L378 VanDerWaalsContact O-CB 3.3Å; P374-L378 WeakPolarHBondContact O-CB 3.23Å; P374-L378 WeakPolarHBondContact O-CD1 3.5Å; P374-L378 VanDerWaalsContact O-CG 3.3Å; P374-L378 WeakPolarHBondContact O-CG 3.47Å; P374-L378 PolarHBondContact O-N 3.4Å; L378-L381 PolarHBondContact O-N 2.86Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 2.86Å; L378-A382 PolarHBondContact O-N 3.33Å
379K90.5Very high85.7Confident82 Ų8263.3 Ų63.336%0.35732%0.316SS..Hα-helixtrans-62.4-46.7174.6-78.6-176.4177.8-159.40112.3E296 L300 K375 I376 R377 A382 A383E296-K379 VanDerWaalsContact CD-CE 3.46Å; E296-K379 VanDerWaalsContact CD-NZ 3.25Å; E296-K379 WeakPolarHBondContact OE1-CE 3.34Å; E296-K379 IonicContact OE1-NZ 2.83Å; E296-K379 PolarHBondContact OE1-NZ 3.12Å; E296-K379 IonicContact OE2-NZ 2.94Å; E296-K379 PolarHBondContact OE2-NZ 3.48Å; E296-K379 VanDerWaalsContact OE2-NZ 3.11Å; L300-K379 HydrophobicContact CD1-CB 4.43Å; L300-K379 HydrophobicContact CD1-CD 4.43Å; L300-K379 HydrophobicContact CD1-CG 3.4Å; L300-K379 HydrophobicContact CD2-CG 4.26Å; L300-K379 HydrophobicContact CG-CG 4.49Å; K375-K379 VanDerWaalsContact O-CG 3.31Å; K375-K379 WeakPolarHBondContact O-CG 3.14Å; K375-K379 PolarHBondContact O-N 2.77Å; I376-K379 WeakPolarHBondContact O-CB 3.48Å; I376-K379 PolarHBondContact O-N 3.17Å; R377-K379 VanDerWaalsContact C-N 3.29Å; R377-K379 PolarHBondContact O-N 3.07Å; K379-A382 PolarHBondContact O-N 3.08Å; K379-A383 PolarHBondContact O-N 3.08Å
380T88.9Confident83.9Confident84 Ų8459.9 Ų59.952%0.51530%0.302SS..Hα-helixtrans-62.8-43.6178.1-56.80000111.2I376 R377 A383 L384I376-T380 PolarHBondContact O-N 3.02Å; I376-T380 VanDerWaalsContact O-N 3.11Å; I376-T380 PolarHBondContact O-OG1 2.91Å; R377-T380 PolarHBondContact O-N 3.39Å; R377-T380 VanDerWaalsContact O-N 3.17Å; T380-A383 PolarHBondContact O-N 2.69Å; T380-L384 WeakPolarHBondContact O-CG 3.48Å; T380-L384 PolarHBondContact O-N 3.09Å
381L88.3Confident81.5Confident26 Ų2661.6 Ų61.614%0.13633%0.326CS..Hα-helixtrans-64.8-40.8176.9-64.5175.2000112.4I304 L328 E331 R377 L378 A383 L384 V385I304-L381 HydrophobicContact CD1-CB 3.74Å; I304-L381 HydrophobicContact CG1-CB 4.46Å; L328-L381 HydrophobicContact CD2-CB 4.08Å; L328-L381 HydrophobicContact CD2-CD1 4.39Å; L328-L381 HydrophobicContact CD2-CD2 3.96Å; L328-L381 HydrophobicContact CD2-CG 4.35Å; E331-L381 HydrophobicContact CB-CD1 3.44Å; E331-L381 VanDerWaalsContact CB-CD1 3.44Å; E331-L381 HydrophobicContact CG-CD1 3.62Å; E331-L381 HydrophobicContact CG-CD2 4.48Å; R377-L381 WeakPolarHBondContact O-CG 3.43Å; R377-L381 PolarHBondContact O-N 3.28Å; L378-L381 PolarHBondContact O-N 2.86Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.44Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 3.41Å; L381-V385 WeakPolarHBondContact O-CB 3.45Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 2.87Å
382A87.6Confident79Confident3 Ų366.4 Ų66.43%0.02536%0.356CS..Hα-helixtrans-62.5-39.717600000111.7L300 K303 I304 L378 K379 V385 D386L300-A382 HydrophobicContact CD2-CB 3.56Å; K303-A382 HydrophobicContact CD-CB 4.39Å; I304-A382 HydrophobicContact CD1-CB 4.34Å; I304-A382 HydrophobicContact CG1-CB 4.33Å; L378-A382 VanDerWaalsContact O-CB 3.27Å; L378-A382 WeakPolarHBondContact O-CB 2.86Å; L378-A382 PolarHBondContact O-N 3.33Å; K379-A382 PolarHBondContact O-N 3.08Å; A382-V385 PolarHBondContact O-N 3.25Å; A382-D386 PolarHBondContact O-N 3.1Å
383A88.4Confident76.6Confident43 Ų4370.6 Ų70.636%0.35537%0.371SS..Hα-helixtrans-62.8-44.1173.300000111.3K379 T380 L381 V385 D386 H387K379-A383 PolarHBondContact O-N 3.08Å; T380-A383 PolarHBondContact O-N 2.69Å; L381-A383 VanDerWaalsContact C-N 3.31Å; L381-A383 PolarHBondContact O-N 3.44Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 3.13Å; A383-D386 WeakPolarHBondContact O-CB 3.29Å; A383-D386 PolarHBondContact O-N 3.08Å; A383-H387 PolarHBondContact O-N 3.04Å; A383-H387 PolarHBondContact O-ND1 2.67Å
384L87.1Confident74.2Confident67 Ų6771.2 Ų71.235%0.35138%0.378SS..Hα-helixtrans-60.7-43.5175.5-69172.3000111.8F324 T380 L381 D386 H387 C388F324-L384 HydrophobicContact CE2-CB 4.29Å; F324-L384 HydrophobicContact CE2-CD1 4.4Å; F324-L384 HydrophobicContact CZ-CB 4Å; T380-L384 WeakPolarHBondContact O-CG 3.48Å; T380-L384 PolarHBondContact O-N 3.09Å; L381-L384 HydrophobicContact CD2-CD1 4.36Å; L381-L384 PolarHBondContact O-N 3.41Å; L384-D386 VanDerWaalsContact C-N 3.28Å; L384-D386 PolarHBondContact O-N 3.41Å; L384-H387 PolarHBondContact O-N 3.48Å; L384-H387 VanDerWaalsContact O-N 3.17Å; L384-C388 PolarHBondContact O-N 3.27Å; L384-C388 PolarHBondContact O-SG 2.85Å
385V87.6Confident71.6Confident0 Ų075.7 Ų75.70%040%0.396CS..Hα-helixtrans-58.2-40.5175.91650000111.5Y307 F324 L328 L381 A382 A383 H387 C388 Q389Y307-V385 HydrophobicContact CD1-CB 4.45Å; Y307-V385 HydrophobicContact CD1-CG1 3.98Å; Y307-V385 HydrophobicContact CD1-CG2 3.76Å; Y307-V385 HydrophobicContact CD2-CG1 3.66Å; Y307-V385 HydrophobicContact CE1-CG2 4.2Å; Y307-V385 HydrophobicContact CE2-CG1 4.29Å; Y307-V385 HydrophobicContact CG-CB 4.38Å; Y307-V385 HydrophobicContact CG-CG1 3.44Å; Y307-V385 VanDerWaalsContact CG-CG1 3.44Å; Y307-V385 HydrophobicContact CG-CG2 4.11Å; F324-V385 HydrophobicContact CE1-CG2 4.48Å; F324-V385 HydrophobicContact CZ-CG2 4.38Å; L328-V385 HydrophobicContact CD1-CG2 3.84Å; L328-V385 HydrophobicContact CD2-CG2 4.2Å; L381-V385 WeakPolarHBondContact O-CB 3.45Å; L381-V385 VanDerWaalsContact O-CG2 3.32Å; L381-V385 WeakPolarHBondContact O-CG2 3.46Å; L381-V385 PolarHBondContact O-N 2.87Å; A382-V385 PolarHBondContact O-N 3.25Å; A383-V385 VanDerWaalsContact C-N 3.33Å; A383-V385 PolarHBondContact O-N 3.13Å; V385-H387 PolarHBondContact O-N 2.74Å; V385-C388 CarbonylContact O-C 3.55Å; V385-C388 PolarHBondContact O-N 3.33Å; V385-C388 VanDerWaalsContact O-N 3.17Å; V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CG 3.16Å; V385-Q389 PolarHBondContact O-N 3.35Å
386D86.1Confident69.1Low69 Ų6979 Ų7937%0.36942%0.42SS..Hα-helixtrans-61.3-43176-72.9-33.1000112.6K303 A382 A383 L384 C388 Q389K303-D386 WeakPolarHBondContact CE-OD1 3.47Å; K303-D386 IonicContact NZ-OD1 2.63Å; K303-D386 PolarHBondContact NZ-OD1 3.03Å; K303-D386 IonicContact NZ-OD2 3.04Å; K303-D386 PolarHBondContact NZ-OD2 3.28Å; A382-D386 PolarHBondContact O-N 3.1Å; A383-D386 WeakPolarHBondContact O-CB 3.29Å; A383-D386 PolarHBondContact O-N 3.08Å; L384-D386 VanDerWaalsContact C-N 3.28Å; L384-D386 PolarHBondContact O-N 3.41Å; D386-C388 PolarHBondContact O-N 3.31Å; D386-Q389 PolarHBondContact O-N 3.34Å
387H82.1Confident66.6Low152 Ų15281.4 Ų81.470%0.70444%0.439SS*.Hα-helixtrans-66.6-30.2177-67.879.1000111.8A383 L384 V385A383-H387 PolarHBondContact O-N 3.04Å; A383-H387 PolarHBondContact O-ND1 2.67Å; L384-H387 PolarHBondContact O-N 3.48Å; L384-H387 VanDerWaalsContact O-N 3.17Å; V385-H387 PolarHBondContact O-N 2.74Å
388C74.3Confident64.2Low39 Ų3985.3 Ų85.326%0.26446%0.46SS..Hα-helixtrans-85.1-6.3177.5-600000114.4Y307 F324 L384 V385 D386Y307-C388 HydrophobicContact CE2-CB 4.4Å; Y307-C388 VanDerWaalsContact OH-CB 3.22Å; Y307-C388 WeakPolarHBondContact OH-CB 3.48Å; F324-C388 HydrophobicContact CE1-CB 4.38Å; L384-C388 PolarHBondContact O-N 3.27Å; L384-C388 PolarHBondContact O-SG 2.85Å; V385-C388 CarbonylContact O-C 3.55Å; V385-C388 PolarHBondContact O-N 3.33Å; V385-C388 VanDerWaalsContact O-N 3.17Å; D386-C388 PolarHBondContact O-N 3.31Å
389Q67.8Low61.6Low92 Ų9290.7 Ų90.743%0.4349%0.493SS..Hα-helixtrans-91.5-17.8174.9-76.5-178.223.700113.1Y307 V385 D386Y307-Q389 HydrophobicContact CD2-CG 3.64Å; Y307-Q389 HydrophobicContact CE2-CG 3.7Å; V385-Q389 HydrophobicContact CG1-CG 4.41Å; V385-Q389 WeakPolarHBondContact O-CG 3.16Å; V385-Q389 PolarHBondContact O-N 3.35Å; D386-Q389 PolarHBondContact O-N 3.34Å
390G49.1Very low58.7Low34 Ų3495.2 Ų95.235%0.35151%0.513SS..SBendtrans-63.3152.5175.900000113.1T392G390-T392 PolarHBondContact O-N 2.93Å
391P37.3Very low55.9Low139 Ų13996.7 Ų96.790%0.90352%0.524SS*.SBendtrans-76.469.7179.433.9-34.3000110.1
392T33.1Very low53.3Low104 Ų104102.3 Ų102.364%0.63856%0.56SS**  trans-138.3100.1169.59.50000108.9G390 V394G390-T392 PolarHBondContact O-N 2.93Å; T392-V394 HydrophobicContact CG2-CG2 4.41Å; T392-V394 PolarHBondContact O-N 3.29Å
393R37.4Very low50.6Low248 Ų248112.2 Ų112.294%0.93660%0.597SS**  trans-65.163.3161.3-71.7-175.4171.3-158.9-1.5110
394V35.8Very low47.8Very low105 Ų105116.8 Ų116.864%0.63662%0.615SS**  trans-162.3113.3163.6-123.40000106.4T392 P396T392-V394 HydrophobicContact CG2-CG2 4.41Å; T392-V394 PolarHBondContact O-N 3.29Å; V394-P396 WeakPolarHBondContact O-CD 3.18Å
395F33.8Very low44.9Very low108 Ų108122.6 Ų122.647%0.47464%0.638SS.*  trans-60.1115.9156.1-78.6-85.5000106.2V320 T397V320-F395 HydrophobicContact CB-CD2 4.44Å; V320-F395 HydrophobicContact CB-CE2 4.07Å; V320-F395 HydrophobicContact CB-CZ 4.34Å; V320-F395 HydrophobicContact CG1-CD1 4.18Å; V320-F395 HydrophobicContact CG1-CD2 4.13Å; V320-F395 HydrophobicContact CG1-CE1 3.93Å; V320-F395 HydrophobicContact CG1-CE2 3.87Å; V320-F395 HydrophobicContact CG1-CG 4.28Å; V320-F395 HydrophobicContact CG1-CZ 3.77Å; F395-T397 PolarHBondContact O-N 2.75Å
396P32Very low42Very low100 Ų100128.7 Ų128.765%0.64968%0.677SS**  trans-74.3101.5173.3-523.1000106.4V394 H398V394-P396 WeakPolarHBondContact O-CD 3.18Å; P396-H398 PolarHBondContact O-N 3.12Å
397T36.3Very low39.5Very low129 Ų129131 Ų13179%0.79169%0.694SS**SBendtrans-71.3-3.1169.88.70000112.6F395F395-T397 PolarHBondContact O-N 2.75Å
398H36.4Very low37Very low160 Ų160134.5 Ų134.574%0.74170%0.701SS**SBendtrans-141.3131.8175.9-78.2-88.2000111P396P396-H398 PolarHBondContact O-N 3.12Å
399V34Very low34.8Very low121 Ų121139.3 Ų139.373%0.73372%0.724SS**  trans83.184.6169.2-159.60000115.5P401V399-P401 WeakPolarHBondContact O-CD 3.5Å
400F28.9Very low32.8Very low176 Ų176143.9 Ų143.977%0.77274%0.743SS**  trans-73119147.6-71.3-82.9000108.2T402F400-T402 PolarHBondContact O-N 2.84Å
401P29.5Very low31.8Very low116 Ų116147.7 Ų147.775%0.75376%0.762SS**  trans-71.3111.6172.2-13.829.7000109.1V399 R403V399-P401 WeakPolarHBondContact O-CD 3.5Å; P401-R403 PolarHBondContact O-N 2.94Å; P401-R403 VanDerWaalsContact O-N 3.16Å
402T35.3Very low31.7Very low144 Ų144147.4 Ų147.488%0.88376%0.757SS**  trans-68.7103.2166.3-30.70000107.3F400F400-T402 PolarHBondContact O-N 2.84Å
403R30.5Very low31.6Very low211 Ų211151.6 Ų151.680%0.79676%0.761SS**  trans-148.1110.3162.3-114.6178.2149.7158.8-2.7112.5P401P401-R403 PolarHBondContact O-N 2.94Å; P401-R403 VanDerWaalsContact O-N 3.16Å
404D29.1Very low31.1Very low138 Ų138146.8 Ų146.874%0.73876%0.755SS**  trans70.961.7152.7-47.7-28.5000118.3
405F26.4Very low30.7Very low189 Ų189151 Ų15183%0.82977%0.765SS**  trans-89.5131.4146.8-75.2-83.3000109.1T407F405-T407 PolarHBondContact O-N 2.74Å; F405-T407 VanDerWaalsContact O-N 3.08Å
406P26.7Very low30.4Very low129 Ų129151 Ų15184%0.83878%0.775SS**  trans-62.5114.3174-16.729.1000110.1R408P406-R408 PolarHBondContact O-N 2.71Å
407T34.6Very low30.1Very low118 Ų118154.3 Ų154.372%0.72478%0.784SS**  trans-65.3115.6-179.5-31.50000110.7F405F405-T407 PolarHBondContact O-N 2.74Å; F405-T407 VanDerWaalsContact O-N 3.08Å
408R28.3Very low29.8Very low225 Ų225155.9 Ų155.985%0.84978%0.782SS**  trans-135.293.5143.4-72.2-170.395.3160.73.9108.9P406P406-R408 PolarHBondContact O-N 2.71Å
409D27.8Very low29.4Very low140 Ų140154.3 Ų154.375%0.74978%0.784SS**  trans51.281.5151.2-50.7-31000117.8
410F25.9Very low29.1Very low188 Ų188157.1 Ų157.183%0.82579%0.786SS**PPolyproline II helixtrans-82.5130.3158.3-68.7-88.6000110.4
411P28.6Very low29Very low114 Ų114154.4 Ų154.474%0.7479%0.786SS**PPolyproline II helixtrans-88.4120.1153.63.715.1000108.9R413P411-R413 PolarHBondContact O-N 2.79Å
412T34.5Very low28.9Very low132 Ų132155.1 Ų155.181%0.8179%0.789SS**PPolyproline II helixtrans-48.1118.4165.4-39.30000109.5
413R30.6Very low28.5Very low192 Ų192158.8 Ų158.873%0.72579%0.786SS**  trans-108.6121.3164.2-78.4-175.587.61671.9108.2P411P411-R413 PolarHBondContact O-N 2.79Å
414D28.1Very low28.5Very low148 Ų148155 Ų15579%0.79179%0.787SS**  trans-51.8136.1171.8-60.6-64.3000112.1P416D414-P416 WeakPolarHBondContact O-CD 3.35Å
415F27.1Very low28.3Very low194 Ų194156.9 Ų156.985%0.85179%0.788SS**  trans-64.1126.8165-77.4-95.9000109.7M417F415-M417 PolarHBondContact O-N 3.47Å; F415-M417 VanDerWaalsContact O-N 3.13Å
416P27.6Very low28.3Very low106 Ų106153.3 Ų153.369%0.68878%0.784SS**  trans-72.1103.1159.6-7.924.6000108.2D414 H418D414-P416 WeakPolarHBondContact O-CD 3.35Å; P416-H418 VanDerWaalsContact C-N 3.35Å; P416-H418 PolarHBondContact O-N 3.2Å
417M26.6Very low28.3Very low170 Ų170153.5 Ų153.584%0.83778%0.783SS**  trans-60.499.6155.7-85.5-91.9-77.300107.7F415 V419F415-M417 PolarHBondContact O-N 3.47Å; F415-M417 VanDerWaalsContact O-N 3.13Å; M417-V419 PolarHBondContact O-N 3.46Å
418H28.1Very low27.9Very low162 Ų162158.7 Ų158.775%0.7579%0.789SS**  trans-66.7105.1162.6-87.4-80.3000108.1P416 F420P416-H418 VanDerWaalsContact C-N 3.35Å; P416-H418 PolarHBondContact O-N 3.2Å; H418-F420 PolarHBondContact O-N 2.88Å; H418-F420 VanDerWaalsContact O-N 3.12Å
419V28.4Very low28Very low128 Ų128153.5 Ų153.578%0.77678%0.782SS**  trans-62108.6163176.90000107.1M417M417-V419 PolarHBondContact O-N 3.46Å
420F27.4Very low27.9Very low180 Ų180158 Ų15879%0.78979%0.789SS**  trans-63.6129.5167.1-75.4-92000108.8H418 T422H418-F420 PolarHBondContact O-N 2.88Å; H418-F420 VanDerWaalsContact O-N 3.12Å; F420-T422 PolarHBondContact O-N 3.22Å; F420-T422 VanDerWaalsContact O-N 3.07Å
421P27.5Very low27.9Very low119 Ų119157 Ų15777%0.77379%0.786SS**  trans-67.7108.9164.621.1-20.6000108.3R423P421-R423 PolarHBondContact O-N 2.77Å
422T27Very low27.9Very low130 Ų130157.1 Ų157.180%0.79879%0.79SS**  trans-53.6104.5167.333.20000109.7F420 V424F420-T422 PolarHBondContact O-N 3.22Å; F420-T422 VanDerWaalsContact O-N 3.07Å; T422-V424 PolarHBondContact O-N 2.9Å
423R27.7Very low27.6Very low222 Ų222158.1 Ų158.184%0.83879%0.789SS**  trans-72.1111.7155.7-75.6-166.9177.1-156.80.6107.2P421 F425P421-R423 PolarHBondContact O-N 2.77Å; R423-F425 HydrophobicContact CB-CE2 4.44Å; R423-F425 PolarHBondContact O-N 3.17Å; R423-F425 VanDerWaalsContact O-N 3.12Å
424V29.3Very low27.6Very low132 Ų132154.5 Ų154.580%0.879%0.792SS**  trans-59.9108.5171.6-178.70000108T422T422-V424 PolarHBondContact O-N 2.9Å
425F25.1Very low27.5Very low177 Ų177156.8 Ų156.878%0.77680%0.795SS**  trans-94.5125.6161.6-81.4-84.1000107.9R423 T427R423-F425 HydrophobicContact CB-CE2 4.44Å; R423-F425 PolarHBondContact O-N 3.17Å; R423-F425 VanDerWaalsContact O-N 3.12Å; F425-T427 PolarHBondContact O-N 3.19Å
426P27.8Very low27.6Very low113 Ų113157.3 Ų157.373%0.73479%0.792SS**  trans-67.7127-179.425.8-31.1000110.5R428P426-R428 PolarHBondContact O-N 2.83Å
427T26Very low27.9Very low134 Ų134158.5 Ų158.582%0.82280%0.797SS**  trans-55.6114.7170.439.70000110.8F425F425-T427 PolarHBondContact O-N 3.19Å
428R26.9Very low28.1Very low227 Ų227160.8 Ų160.886%0.85780%0.797SS**  trans-88.8114.4153.5-74.4-167.9-174.6-139.12.6108P426 W430P426-R428 PolarHBondContact O-N 2.83Å; R428-W430 PolarHBondContact O-N 2.83Å
429V29.2Very low28.4Very low115 Ų115164.3 Ų164.370%0.69782%0.82SS**  trans-58.5117.9169.9178.60000108.3
430W26.3Very low28.4Very low235 Ų235166.1 Ų166.189%0.8982%0.822SS**  trans-108.9114.7159.1-80.395.8000107.8R428R428-W430 PolarHBondContact O-N 2.83Å
431H26.8Very low28.5Very low167 Ų167165.4 Ų165.477%0.77382%0.824SS**  trans-58.6139.1174.6-93.6-104.7000111L433H431-L433 PolarHBondContact O-N 2.98Å
432S27.6Very low28.5Very low116 Ų116167.9 Ų167.981%0.81183%0.826SS**  trans-47.3124.4169.9-50.60000112.6
433L28.9Very low28.6Very low153 Ų153170.2 Ų170.280%0.80183%0.828SS**  trans-112.4103.9150.1-101.1117.1000108.8H431 F435H431-L433 PolarHBondContact O-N 2.98Å; L433-F435 PolarHBondContact O-N 2.76Å
434C29.4Very low28.7Very low116 Ų116166.9 Ų166.978%0.78483%0.827SS**  trans-68.5111169.3-1580000107.9
435F26.9Very low28.6Very low196 Ų196169.3 Ų169.386%0.8683%0.829SS**  trans-97.399.1161.4-107.1-84.2000108.8L433L433-F435 PolarHBondContact O-N 2.76Å
436R29.3Very low28.9Very low205 Ų205168.7 Ų168.777%0.77483%0.833SS**  trans-78.1130.7170.5-161.5178.3-167.3-167.44.2107.8
437T34.6Very low29Very low131 Ų131173 Ų17380%0.80484%0.841SS**  trans-65.9141.9168.734.20000112
438R29.9Very low29.2Very low219 Ų219176.3 Ų176.383%0.82684%0.842SS**  trans163.8130.4156-92.5170.8-153.7-143.54105.3
439L34.8Very low29.4Very low235 Ų235171.6 Ų171.6100%1.2384%0.841SS**  cis-148.7016.7-115.8154.6000107.3

Retrieved 439 of 439 residues in 268 ms (Link to these results)