A0A087XI09_POEFO Loading...

Zinc transporter

Functions as a zinc transporter. Zinc ion transporter mediating zinc entry from the cytosol into the lumen of organelles along the secretory pathway. By contributing to zinc ion homeostasis within the early secretory pathway, regulates the activation and folding of enzymes like alkaline phosphatases.

AlphaFold DB , UniProt , Accession A0A087XI09, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M33Very low42.7Very low246 Ų246158.2 Ų158.2100%1.21281%0.811SS**  01040-73.3174.5170.400107.1
2L35.4Very low42.5Very low163 Ų163160.1 Ų160.185%0.85381%0.809SS**  trans-73136.9175.4-78.1149.4000108.2L4L2-L4 PolarHBondContact O-N 3.49Å
3P33.9Very low42.5Very low130 Ų130155.5 Ų155.584%0.84480%0.797SS**  trans-69.9104.3177.228.1-30000108.8
4L47.9Very low43.2Very low164 Ų164149.6 Ų149.686%0.85978%0.784SS**  trans-75.5146.7162.4-81.4157.4000108.8L2L2-L4 PolarHBondContact O-N 3.49Å
5S45.3Very low43.7Very low105 Ų105151.7 Ų151.773%0.73478%0.784SS**  trans79.890.2175.1-1620000114.9K7S5-K7 PolarHBondContact O-N 3.14Å
6I42.6Very low44.3Very low156 Ų156154 Ų15480%0.879%0.786SS**  trans-66118143.1-70.2166.6000105D8I6-D8 PolarHBondContact O-N 3.31Å
7K37.9Very low45.1Very low162 Ų162150.5 Ų150.570%0.70477%0.77SS**  trans-63120.9174.1-114.5176.5170.4-1770108.8S5 D9S5-K7 PolarHBondContact O-N 3.14Å; K7-D9 PolarHBondContact O-N 2.86Å
8D49.9Very low45.9Very low122 Ų122148.5 Ų148.565%0.65276%0.76SS**SBendtrans-709.4176.4-73.9-41.1000114.5I6 E10 Y11I6-D8 PolarHBondContact O-N 3.31Å; D8-E10 PolarHBondContact O-N 3.16Å; D8-Y11 PolarHBondContact O-N 3.32Å
9D50.6Low46.5Very low140 Ų140148.1 Ų148.175%0.74976%0.759SS**THydrogen-bonded Turntrans-71.23.9-176.8-73.4-31.6000114.2K7K7-D9 PolarHBondContact O-N 2.86Å
10E46.3Very low47.4Very low179 Ų179145.3 Ų145.384%0.83675%0.749SS**THydrogen-bonded Turntrans-126.223.3172.8-147.2168.5170.500113.9D8 K12D8-E10 PolarHBondContact O-N 3.16Å; E10-K12 PolarHBondContact O-N 2.94Å
11Y46.9Very low48.4Very low173 Ų173144.7 Ų144.768%0.67874%0.741SS**  trans-86.686.5163-168.4-100.8000110.1D8 P13D8-Y11 PolarHBondContact O-N 3.32Å; Y11-P13 WeakPolarHBondContact O-CD 3.49Å
12K40.4Very low50Low181 Ų181135.9 Ų135.979%0.78770%0.698SS**  trans-62120.7161.5-73.5177.8-178.7170.50106.9E10 A14E10-K12 PolarHBondContact O-N 2.94Å; K12-A14 PolarHBondContact O-N 2.96Å
13P41.8Very low51.4Low100 Ų100131.4 Ų131.465%0.64968%0.681SS**  trans-60.5110.8176.825.1-31.7000106.8Y11 K15Y11-P13 WeakPolarHBondContact O-CD 3.49Å; P13-K15 PolarHBondContact O-N 2.81Å
14A52.2Low53Low74 Ų74127 Ų12761%0.61266%0.659SS**  trans-52.3122.4167.300000105.4K12 F16K12-A14 PolarHBondContact O-N 2.96Å; A14-F16 PolarHBondContact O-N 2.77Å
15K51.8Low54.1Low180 Ų180122.9 Ų122.978%0.78363%0.632SS**  trans-37.2123.7170.5-68.1-178.5178.7-178.30106.6P13 N17P13-K15 PolarHBondContact O-N 2.81Å; K15-N17 PolarHBondContact O-N 2.89Å
16F53Low55.3Low189 Ų189122.4 Ų122.483%0.82962%0.617SS**  trans-58.476.1-177.2-96.6-97.3000109.6A14 L18A14-F16 PolarHBondContact O-N 2.77Å; F16-L18 PolarHBondContact O-N 3.08Å
17N57.7Low56.8Low95 Ų95124.7 Ų124.751%0.50862%0.615SS.*  trans-84.272.4177.2-76.5-2.2000105.5K15 L19 V20 K21K15-N17 PolarHBondContact O-N 2.89Å; N17-L19 PolarHBondContact O-N 2.99Å; N17-L19 VanDerWaalsContact O-N 3.16Å; N17-V20 HydrophobicContact CB-CB 3.88Å; N17-V20 HydrophobicContact CB-CG2 3.75Å; N17-V20 WeakPolarHBondContact O-CA 3.44Å; N17-V20 PolarHBondContact O-N 3.05Å; N17-K21 PolarHBondContact O-N 3.24Å
18L59.8Low58.1Low114 Ų114119.5 Ų119.560%0.59760%0.6SS**Hα-helixtrans-51.1-36.7177.4-148.8153.6000109.6F16 K21 L22F16-L18 PolarHBondContact O-N 3.08Å; L18-K21 PolarHBondContact O-N 3.3Å; L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.87Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.06Å
19L56.8Low59.2Low140 Ų140114.5 Ų114.573%0.73357%0.573SS**Hα-helixtrans-63.3-38.4172.9-66175.2000114.4N17 L22 S23N17-L19 PolarHBondContact O-N 2.99Å; N17-L19 VanDerWaalsContact O-N 3.16Å; L19-L22 HydrophobicContact CD2-CD1 4.49Å; L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.38Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.1Å
20V65.7Low60.3Low92 Ų92111.2 Ų111.256%0.55855%0.554SS**Hα-helixtrans-71.7-41.3177.2174.80000110N17 S23 G24N17-V20 HydrophobicContact CB-CB 3.88Å; N17-V20 HydrophobicContact CB-CG2 3.75Å; N17-V20 WeakPolarHBondContact O-CA 3.44Å; N17-V20 PolarHBondContact O-N 3.05Å; V20-S23 PolarHBondContact O-N 3.38Å; V20-S23 PolarHBondContact O-OG 3.07Å; V20-G24 PolarHBondContact O-N 2.97Å
21K66.8Low61.5Low134 Ų134106.5 Ų106.558%0.58355%0.546SS*.Hα-helixtrans-63.3-45.4172.9-76-167.3175.1-175.70111.9N17 L18 S23 G24 W25N17-K21 PolarHBondContact O-N 3.24Å; L18-K21 PolarHBondContact O-N 3.3Å; K21-S23 VanDerWaalsContact C-N 3.33Å; K21-S23 PolarHBondContact O-N 3.04Å; K21-G24 WeakPolarHBondContact O-CA 3.31Å; K21-G24 PolarHBondContact O-N 2.81Å; K21-G24 VanDerWaalsContact O-N 3.11Å; K21-W25 PolarHBondContact O-N 3.37Å
22L67.1Low62.7Low60 Ų60100.9 Ų100.931%0.31453%0.528SS..Hα-helixtrans-58.8-43174.6-78.5169.3000111.6L18 L19 G24 W25 F26L18-L22 HydrophobicContact CD2-CD1 3.45Å; L18-L22 VanDerWaalsContact CD2-CD1 3.45Å; L18-L22 HydrophobicContact CD2-CG 3.87Å; L18-L22 VanDerWaalsContact O-CB 3.28Å; L18-L22 WeakPolarHBondContact O-CB 3.43Å; L18-L22 WeakPolarHBondContact O-CG 3.3Å; L18-L22 PolarHBondContact O-N 3.06Å; L19-L22 HydrophobicContact CD2-CD1 4.49Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.91Å; L22-W25 HydrophobicContact CD2-CE3 4Å; L22-W25 HydrophobicContact CD2-CZ3 4.26Å; L22-W25 PolarHBondContact O-N 3.24Å; L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.28Å
23S65.7Low64.2Low70 Ų7097.4 Ų97.449%0.4951%0.513SS..Hα-helixtrans-63.3-35.6176.176.50000112.2L19 V20 K21 R27L19-S23 VanDerWaalsContact O-CB 3.31Å; L19-S23 WeakPolarHBondContact O-CB 3.38Å; L19-S23 PolarHBondContact O-N 2.87Å; L19-S23 PolarHBondContact O-OG 3.1Å; V20-S23 PolarHBondContact O-N 3.38Å; V20-S23 PolarHBondContact O-OG 3.07Å; K21-S23 VanDerWaalsContact C-N 3.33Å; K21-S23 PolarHBondContact O-N 3.04Å; S23-R27 WeakPolarHBondContact O-CB 3.33Å; S23-R27 PolarHBondContact O-N 3.01Å
24G67.6Low65.4Low37 Ų3795.6 Ų95.638%0.38150%0.5SS..Hα-helixtrans-67.5-40.8172.900000112.6V20 K21 L22 R27 S28V20-G24 PolarHBondContact O-N 2.97Å; K21-G24 WeakPolarHBondContact O-CA 3.31Å; K21-G24 PolarHBondContact O-N 2.81Å; K21-G24 VanDerWaalsContact O-N 3.11Å; L22-G24 VanDerWaalsContact C-N 3.28Å; L22-G24 PolarHBondContact O-N 2.91Å; G24-R27 PolarHBondContact O-N 3.46Å; G24-S28 PolarHBondContact O-N 2.97Å
25W70.6Confident66.4Low78 Ų7892.9 Ų92.930%0.29548%0.476SS..Hα-helixtrans-64.6-48175.3-64-1.3000111.4K21 L22 R27 S28 I29 V86 W90K21-W25 PolarHBondContact O-N 3.37Å; L22-W25 HydrophobicContact CD2-CE3 4Å; L22-W25 HydrophobicContact CD2-CZ3 4.26Å; L22-W25 PolarHBondContact O-N 3.24Å; W25-R27 VanDerWaalsContact C-N 3.29Å; W25-R27 PolarHBondContact O-N 3.4Å; W25-S28 WeakPolarHBondContact O-CB 3.31Å; W25-S28 PolarHBondContact O-N 2.71Å; W25-S28 VanDerWaalsContact O-N 3.07Å; W25-I29 WeakPolarHBondContact O-CG1 3.41Å; W25-I29 PolarHBondContact O-N 2.64Å; W25-V86 HydrophobicContact CB-CG1 4.24Å; W25-V86 HydrophobicContact CD2-CG1 4.34Å; W25-V86 HydrophobicContact CG-CG1 3.94Å; W25-W90 AromaticContact CE2-CZ2 3.63Å; W25-W90 HydrophobicContact CH2-CH2 4.13Å; W25-W90 HydrophobicContact CH2-CZ2 4.01Å; W25-W90 AromaticContact CZ2-CH2 3.6Å; W25-W90 HydrophobicContact CZ2-CH2 3.6Å; W25-W90 AromaticContact CZ2-CZ2 3.2Å; W25-W90 HydrophobicContact CZ2-CZ2 3.2Å; W25-W90 AromaticContact NE1-CZ2 3.77Å
26F71.2Confident67.6Low95 Ų9588.4 Ų88.442%0.41746%0.455SS..Hα-helixtrans-54.9-46174.6-102.7-92.1000111.7L22 S28 I29 L30 F39L22-F26 WeakPolarHBondContact O-CB 3.26Å; L22-F26 PolarHBondContact O-N 3.28Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.11Å; F26-I29 PolarHBondContact O-N 3.22Å; F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 WeakPolarHBondContact O-CD1 3.42Å; F26-L30 PolarHBondContact O-N 3.19Å; F26-F39 HydrophobicContact CD1-CZ 4.3Å; F26-F39 HydrophobicContact CE1-CE1 4.15Å; F26-F39 AromaticContact CE1-CE2 3.72Å; F26-F39 HydrophobicContact CE1-CE2 3.72Å; F26-F39 AromaticContact CE1-CZ 3.36Å; F26-F39 HydrophobicContact CE1-CZ 3.36Å; F26-F39 AromaticContact CZ-CE2 3.96Å; F26-F39 HydrophobicContact CZ-CE2 3.96Å; F26-F39 AromaticContact CZ-CZ 3.91Å; F26-F39 HydrophobicContact CZ-CZ 3.91Å
27R72.6Confident68.7Low204 Ų20480.5 Ų80.577%0.7742%0.421SS*.Hα-helixtrans-64.8-35.5178.3-164.3169.6-175.6167.30.7112.4S23 G24 W25 A31S23-R27 WeakPolarHBondContact O-CB 3.33Å; S23-R27 PolarHBondContact O-N 3.01Å; G24-R27 PolarHBondContact O-N 3.46Å; W25-R27 VanDerWaalsContact C-N 3.29Å; W25-R27 PolarHBondContact O-N 3.4Å; R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.99Å; R27-A31 VanDerWaalsContact O-N 3.12Å
28S66.3Low69.6Low53 Ų5376.5 Ų76.537%0.37140%0.399SS..Hα-helixtrans-68.2-40.6174.4-171.60000112.4G24 W25 F26 A31G24-S28 PolarHBondContact O-N 2.97Å; W25-S28 WeakPolarHBondContact O-CB 3.31Å; W25-S28 PolarHBondContact O-N 2.71Å; W25-S28 VanDerWaalsContact O-N 3.07Å; F26-S28 VanDerWaalsContact C-N 3.31Å; F26-S28 PolarHBondContact O-N 3.11Å; S28-A31 PolarHBondContact O-N 3.47Å
29I72.9Confident70.6Confident17 Ų1772.5 Ų72.59%0.08738%0.377CS..Hα-helixtrans-65.3-43.6177.3-68163.7000110.4W25 F26 A31 S35 R36 F39 L82 V86W25-I29 WeakPolarHBondContact O-CG1 3.41Å; W25-I29 PolarHBondContact O-N 2.64Å; F26-I29 PolarHBondContact O-N 3.22Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.49Å; I29-S35 WeakPolarHBondContact O-CB 3.29Å; I29-R36 PolarHBondContact O-N 3.02Å; I29-F39 HydrophobicContact CG2-CB 3.74Å; I29-F39 HydrophobicContact CG2-CD2 4.29Å; I29-F39 HydrophobicContact CG2-CG 4.1Å; I29-L82 HydrophobicContact CD1-CD1 4.39Å; I29-L82 HydrophobicContact CD1-CD2 4.08Å; I29-L82 HydrophobicContact CD1-CG 4.09Å; I29-L82 HydrophobicContact CG1-CD1 4.19Å; I29-L82 HydrophobicContact CG1-CG 4.44Å; I29-L82 HydrophobicContact CG2-CD1 4.2Å; I29-L82 HydrophobicContact CG2-CD2 4.2Å; I29-V86 HydrophobicContact CD1-CG2 4.01Å; I29-V86 HydrophobicContact CG1-CG2 3.68Å
30L72.9Confident71.8Confident70 Ų7071.3 Ų71.337%0.36637%0.366SS..Hα-helixtrans-71.1-22.8179.5-84152.1000114F26 R36 F40F26-L30 HydrophobicContact CD1-CD1 4.41Å; F26-L30 WeakPolarHBondContact O-CB 3.33Å; F26-L30 WeakPolarHBondContact O-CD1 3.42Å; F26-L30 PolarHBondContact O-N 3.19Å; L30-R36 HydrophobicContact CD2-CG 4.17Å; L30-R36 PolarHBondContact O-NH1 3.37Å; L30-F40 HydrophobicContact CD2-CZ 4.44Å
31A72.4Confident72.5Confident80 Ų8067.2 Ų67.266%0.66134%0.341SS*.Hα-helixtrans-74-36.7-179.700000112.4R27 S28 I29R27-A31 WeakPolarHBondContact O-CB 3.3Å; R27-A31 PolarHBondContact O-N 2.99Å; R27-A31 VanDerWaalsContact O-N 3.12Å; S28-A31 PolarHBondContact O-N 3.47Å; I29-A31 VanDerWaalsContact C-N 3.31Å; I29-A31 PolarHBondContact O-N 3.49Å
32D71.3Confident73.2Confident55 Ų5561.2 Ų61.229%0.29432%0.316SS..SBendtrans-86.8129.4179178.161.4000111.1T34 S35 R36D32-T34 VanDerWaalsContact C-N 3.34Å; D32-T34 PolarHBondContact O-N 2.91Å; D32-T34 PolarHBondContact OD2-N 2.93Å; D32-S35 PolarHBondContact O-N 3.49Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-N 3.4Å; D32-S35 PolarHBondContact OD2-OG 3.47Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.27Å
33K71Confident74.2Confident108 Ų10860.6 Ų60.647%0.4732%0.316SS..Hα-helixtrans-62.5-41.9-174-168.6-176.7-177.4-164.30111.6N37 G162K33-N37 VanDerWaalsContact O-CG 3.28Å; K33-N37 PolarHBondContact O-N 3.47Å; K33-N37 PolarHBondContact O-OD1 3.41Å; K33-G162 WeakPolarHBondContact CE-O 2.92Å; K33-G162 PolarHBondContact NZ-O 3.44Å
34T68.8Low75.1Confident63 Ų6360.1 Ų60.139%0.38731%0.307SS..Hα-helixtrans-68.4-49-179.5-53.10000111D32 R36 N37 L38 L260D32-T34 VanDerWaalsContact C-N 3.34Å; D32-T34 PolarHBondContact O-N 2.91Å; D32-T34 PolarHBondContact OD2-N 2.93Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 3.49Å; T34-N37 PolarHBondContact O-N 3.3Å; T34-L38 PolarHBondContact O-N 3.28Å; T34-L260 HydrophobicContact CG2-CD1 4.17Å; T34-L260 HydrophobicContact CG2-CD2 3.9Å
35S72.2Confident75.9Confident16 Ų1658.8 Ų58.811%0.11229%0.291CS..Hα-helixtrans-62.8-37.2177.8-54.60000112.1I29 D32 L38 F39I29-S35 WeakPolarHBondContact O-CB 3.29Å; D32-S35 PolarHBondContact O-N 3.49Å; D32-S35 WeakPolarHBondContact OD2-CB 3.43Å; D32-S35 PolarHBondContact OD2-N 3.4Å; D32-S35 PolarHBondContact OD2-OG 3.47Å; S35-L38 PolarHBondContact O-N 3.4Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å
36R77.7Confident76.7Confident87 Ų8757.8 Ų57.833%0.32829%0.291SS..Hα-helixtrans-65.5-44.8175179.5173.567.8-150.45.8112.4I29 L30 D32 T34 L38 F39 F40I29-R36 PolarHBondContact O-N 3.02Å; L30-R36 HydrophobicContact CD2-CG 4.17Å; L30-R36 PolarHBondContact O-NH1 3.37Å; D32-R36 WeakPolarHBondContact O-CB 3.36Å; D32-R36 PolarHBondContact O-N 3.27Å; T34-R36 VanDerWaalsContact C-N 3.3Å; T34-R36 PolarHBondContact O-N 3.49Å; R36-L38 VanDerWaalsContact C-N 3.32Å; R36-F39 PolarHBondContact O-N 3.09Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 3.4Å; R36-F40 VanDerWaalsContact CG-CE2 3.4Å; R36-F40 HydrophobicContact CG-CZ 4.48Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.33Å; R36-F40 PolarHBondContact O-N 3.45Å
37N76.6Confident77.6Confident22 Ų2256.7 Ų56.712%0.11830%0.296CS..Hα-helixtrans-62.6-42.8177-74.911.3000110.9K33 T34 F39 F40 F41 V158K33-N37 VanDerWaalsContact O-CG 3.28Å; K33-N37 PolarHBondContact O-N 3.47Å; K33-N37 PolarHBondContact O-OD1 3.41Å; T34-N37 PolarHBondContact O-N 3.3Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 3.19Å; N37-F40 PolarHBondContact O-N 3.2Å; N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 3.12Å; N37-V158 HydrophobicContact CB-CG1 4.03Å; N37-V158 PolarHBondContact ND2-O 2.96Å
38L74.7Confident78.3Confident11 Ų1148.1 Ų48.16%0.05826%0.264CS..Hα-helixtrans-62.3-41175.1-167.7151.2000112T34 S35 R36 F41 L42 L82 F159 V263T34-L38 PolarHBondContact O-N 3.28Å; S35-L38 PolarHBondContact O-N 3.4Å; R36-L38 VanDerWaalsContact C-N 3.32Å; L38-F41 PolarHBondContact O-N 3.26Å; L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.19Å; L38-L82 HydrophobicContact CD2-CB 4.13Å; L38-L82 HydrophobicContact CD2-CD1 4.19Å; L38-L82 HydrophobicContact CD2-CD2 4.28Å; L38-L82 HydrophobicContact CD2-CG 4.43Å; L38-F159 HydrophobicContact CB-CE1 4.34Å; L38-F159 HydrophobicContact CB-CZ 4.17Å; L38-F159 HydrophobicContact CG-CZ 4.41Å; L38-V263 HydrophobicContact CD1-CG2 3.72Å; L38-V263 HydrophobicContact CG-CG2 4.45Å
39F81.3Confident79.3Confident31 Ų3145.7 Ų45.714%0.13625%0.248CC..Hα-helixtrans-64-45.9175.9179.2-97.6000112.8F26 I29 S35 R36 N37 F41 L42 C43 L82F26-F39 HydrophobicContact CD1-CZ 4.3Å; F26-F39 HydrophobicContact CE1-CE1 4.15Å; F26-F39 AromaticContact CE1-CE2 3.72Å; F26-F39 HydrophobicContact CE1-CE2 3.72Å; F26-F39 AromaticContact CE1-CZ 3.36Å; F26-F39 HydrophobicContact CE1-CZ 3.36Å; F26-F39 AromaticContact CZ-CE2 3.96Å; F26-F39 HydrophobicContact CZ-CE2 3.96Å; F26-F39 AromaticContact CZ-CZ 3.91Å; F26-F39 HydrophobicContact CZ-CZ 3.91Å; I29-F39 HydrophobicContact CG2-CB 3.74Å; I29-F39 HydrophobicContact CG2-CD2 4.29Å; I29-F39 HydrophobicContact CG2-CG 4.1Å; S35-F39 WeakPolarHBondContact O-CB 3.46Å; S35-F39 PolarHBondContact O-N 3.16Å; R36-F39 PolarHBondContact O-N 3.09Å; N37-F39 VanDerWaalsContact C-N 3.34Å; N37-F39 PolarHBondContact O-N 3.19Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.81Å; F39-L42 WeakPolarHBondContact O-CB 3.38Å; F39-L42 PolarHBondContact O-N 2.9Å; F39-C43 WeakPolarHBondContact CZ-SG 3.27Å; F39-C43 PolarHBondContact O-N 2.84Å; F39-C43 PolarHBondContact O-SG 3.22Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; F39-L82 HydrophobicContact CB-CD2 4.28Å; F39-L82 HydrophobicContact CD2-CD2 3.96Å
40F82.2Confident80.1Confident114 Ų11450.1 Ų50.150%0.527%0.266SS..Hα-helixtrans-64.8-39177.1-77.6-57.6000112.3L30 R36 N37 C43 L44L30-F40 HydrophobicContact CD2-CZ 4.44Å; R36-F40 HydrophobicContact CG-CD2 3.67Å; R36-F40 HydrophobicContact CG-CE2 3.4Å; R36-F40 VanDerWaalsContact CG-CE2 3.4Å; R36-F40 HydrophobicContact CG-CZ 4.48Å; R36-F40 VanDerWaalsContact O-CD2 3.23Å; R36-F40 WeakPolarHBondContact O-CD2 3.33Å; R36-F40 PolarHBondContact O-N 3.45Å; N37-F40 PolarHBondContact O-N 3.2Å; F40-C43 PolarHBondContact O-N 3.36Å; F40-L44 WeakPolarHBondContact O-CB 3.34Å; F40-L44 PolarHBondContact O-N 3.33Å
41F80Confident80.9Confident6 Ų651.1 Ų51.13%0.02628%0.275CS..Hα-helixtrans-61.2-47.3173.9177-106.7000111.7N37 L38 F39 C43 L44 N45 L78 G155 F159 V263 I267N37-F41 WeakPolarHBondContact O-CB 3.38Å; N37-F41 PolarHBondContact O-N 3.12Å; L38-F41 PolarHBondContact O-N 3.26Å; F39-F41 VanDerWaalsContact C-N 3.33Å; F39-F41 PolarHBondContact O-N 2.81Å; F41-C43 VanDerWaalsContact C-N 3.33Å; F41-C43 PolarHBondContact O-N 2.63Å; F41-L44 WeakPolarHBondContact O-CB 3.49Å; F41-L44 PolarHBondContact O-N 3Å; F41-L44 VanDerWaalsContact O-N 3.13Å; F41-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.27Å; F41-N45 PolarHBondContact O-N 3.35Å; F41-L78 HydrophobicContact CE1-CD1 4.34Å; F41-G155 VanDerWaalsContact CD2-CA 3.42Å; F41-F159 HydrophobicContact CB-CE2 3.85Å; F41-F159 HydrophobicContact CB-CZ 4.22Å; F41-F159 AromaticContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CZ 4.42Å; F41-F159 HydrophobicContact CD2-CE2 4.29Å; F41-F159 AromaticContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CZ 4.41Å; F41-V263 HydrophobicContact CD1-CG1 4.32Å; F41-V263 HydrophobicContact CE1-CG1 4.31Å; F41-I267 HydrophobicContact CD1-CD1 3.97Å; F41-I267 HydrophobicContact CD2-CD1 4.38Å; F41-I267 HydrophobicContact CE1-CD1 3.44Å; F41-I267 VanDerWaalsContact CE1-CD1 3.44Å; F41-I267 HydrophobicContact CE1-CG1 3.55Å; F41-I267 HydrophobicContact CE2-CD1 3.91Å; F41-I267 HydrophobicContact CE2-CG1 4.18Å; F41-I267 HydrophobicContact CG-CD1 4.41Å; F41-I267 HydrophobicContact CZ-CD1 3.41Å; F41-I267 VanDerWaalsContact CZ-CD1 3.41Å; F41-I267 HydrophobicContact CZ-CG1 3.34Å; F41-I267 HydrophobicContact CZ-CG2 4.48Å
42L83Confident81.5Confident9 Ų947.6 Ų47.65%0.04725%0.245CC..Hα-helixtrans-56.1-46.5174.6176.572000111.7L38 F39 L44 L46 C75 L78 L79L38-L42 WeakPolarHBondContact O-CB 3.28Å; L38-L42 PolarHBondContact O-N 3.19Å; F39-L42 WeakPolarHBondContact O-CB 3.38Å; F39-L42 PolarHBondContact O-N 2.9Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.05Å; L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.05Å; L42-C75 HydrophobicContact CD1-CB 4.02Å; L42-C75 VanDerWaalsContact CD1-O 3.23Å; L42-C75 WeakPolarHBondContact CD1-O 3.35Å; L42-L78 HydrophobicContact CD1-CB 3.84Å; L42-L79 HydrophobicContact CD1-CB 4.49Å; L42-L79 HydrophobicContact CD2-CB 4.01Å; L42-L79 HydrophobicContact CD2-CD1 3.87Å
43C86.1Confident82.4Confident47 Ų4746.9 Ų46.932%0.31824%0.241SC..Hα-helixtrans-62.5-38.7177.8-72.60000112.4F39 F40 F41 S47F39-C43 WeakPolarHBondContact CZ-SG 3.27Å; F39-C43 PolarHBondContact O-N 2.84Å; F39-C43 PolarHBondContact O-SG 3.22Å; F39-C43 VanDerWaalsContact O-SG 3.4Å; F40-C43 PolarHBondContact O-N 3.36Å; F41-C43 VanDerWaalsContact C-N 3.33Å; F41-C43 PolarHBondContact O-N 2.63Å; C43-S47 VanDerWaalsContact O-CB 3.29Å; C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 3.27Å; C43-S47 PolarHBondContact O-OG 3.37Å
44L86.3Confident83.2Confident59 Ų5946.1 Ų46.131%0.30925%0.246SC..Hα-helixtrans-66.8-51.2178.9-169.6167.6000110.6F40 F41 L42 L46 S47 F48 V151 V154F40-L44 WeakPolarHBondContact O-CB 3.34Å; F40-L44 PolarHBondContact O-N 3.33Å; F41-L44 WeakPolarHBondContact O-CB 3.49Å; F41-L44 PolarHBondContact O-N 3Å; F41-L44 VanDerWaalsContact O-N 3.13Å; L42-L44 VanDerWaalsContact C-N 3.3Å; L42-L44 PolarHBondContact O-N 3.05Å; L44-L46 PolarHBondContact O-N 3.32Å; L44-S47 PolarHBondContact O-N 3.46Å; L44-F48 PolarHBondContact O-N 2.81Å; L44-V151 HydrophobicContact CD2-CB 3.87Å; L44-V151 HydrophobicContact CD2-CG1 3.23Å; L44-V151 HydrophobicContact CD2-CG2 3.78Å; L44-V154 HydrophobicContact CD1-CG1 3.81Å
45N83.9Confident84Confident9 Ų946.4 Ų46.45%0.04824%0.24CC..Hα-helixtrans-61.7-42.9177-88.214.4000112.4F41 S47 F48 A49 V151F41-N45 WeakPolarHBondContact CE1-ND2 3.4Å; F41-N45 WeakPolarHBondContact CZ-ND2 3.27Å; F41-N45 PolarHBondContact O-N 3.35Å; N45-S47 VanDerWaalsContact C-N 3.32Å; N45-S47 PolarHBondContact O-N 3.39Å; N45-F48 PolarHBondContact O-N 3.25Å; N45-A49 PolarHBondContact O-N 3.12Å; N45-V151 WeakPolarHBondContact OD1-CG1 3.46Å
46L87.8Confident84.6Confident57 Ų5745.6 Ų45.630%0.29824%0.235SC..Hα-helixtrans-62.8-41.7177.1-175.565.9000111.3L42 L44 F48 A49 F50 F72 C75L42-L46 WeakPolarHBondContact O-CB 3.47Å; L42-L46 PolarHBondContact O-N 3.05Å; L44-L46 PolarHBondContact O-N 3.32Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 2.7Å; L46-A49 PolarHBondContact O-N 3.45Å; L46-F50 HydrophobicContact CD1-CD2 4.42Å; L46-F50 HydrophobicContact CD1-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 4.26Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 VanDerWaalsContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-F50 VanDerWaalsContact O-N 3.1Å; L46-F72 HydrophobicContact CD1-CD2 3.89Å; L46-F72 HydrophobicContact CD1-CE2 4.06Å; L46-C75 HydrophobicContact CB-CB 4.44Å; L46-C75 HydrophobicContact CD1-CB 4.01Å
47S89Confident84.9Confident73 Ų7346.6 Ų46.651%0.5125%0.245SC..Hα-helixtrans-63.3-40.7176.5-59.40000111.3C43 L44 N45 F50 V51C43-S47 VanDerWaalsContact O-CB 3.29Å; C43-S47 WeakPolarHBondContact O-CB 3.41Å; C43-S47 PolarHBondContact O-N 3.27Å; C43-S47 PolarHBondContact O-OG 3.37Å; L44-S47 PolarHBondContact O-N 3.46Å; N45-S47 VanDerWaalsContact C-N 3.32Å; N45-S47 PolarHBondContact O-N 3.39Å; S47-F50 PolarHBondContact O-N 2.7Å; S47-V51 WeakPolarHBondContact O-CG2 3.36Å; S47-V51 PolarHBondContact O-N 2.81Å
48F87.9Confident85.4Confident23 Ų2355.5 Ų55.510%0.10128%0.277CS..Hα-helixtrans-64.9-43.9176.2-177.3-110.3000112L44 N45 L46 F50 V51 E52 M71 A147 G148 V151L44-F48 PolarHBondContact O-N 2.81Å; N45-F48 PolarHBondContact O-N 3.25Å; L46-F48 VanDerWaalsContact C-N 3.31Å; L46-F48 PolarHBondContact O-N 2.7Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 2.93Å; F48-V51 WeakPolarHBondContact O-CA 3.3Å; F48-V51 WeakPolarHBondContact O-CB 3.43Å; F48-V51 PolarHBondContact O-N 2.93Å; F48-E52 HydrophobicContact CD1-CG 4.34Å; F48-E52 VanDerWaalsContact CE1-CD 3.42Å; F48-E52 HydrophobicContact CE1-CG 3.84Å; F48-E52 WeakPolarHBondContact CE1-OE1 3.44Å; F48-E52 HydrophobicContact CE2-CG 4.11Å; F48-E52 HydrophobicContact CZ-CG 3.7Å; F48-E52 WeakPolarHBondContact CZ-OE1 3.43Å; F48-E52 PolarHBondContact O-N 3.17Å; F48-M71 HydrophobicContact CD1-CE 3.69Å; F48-M71 HydrophobicContact CD1-SD 4.06Å; F48-M71 HydrophobicContact CE1-CE 3.82Å; F48-M71 HydrophobicContact CE1-SD 4.13Å; F48-A147 HydrophobicContact CE2-CB 3.85Å; F48-A147 HydrophobicContact CZ-CB 4.26Å; F48-G148 VanDerWaalsContact CE1-CA 3.44Å; F48-G148 VanDerWaalsContact CZ-N 3.27Å; F48-V151 HydrophobicContact CB-CG1 4.28Å; F48-V151 HydrophobicContact CB-CG2 4.25Å; F48-V151 HydrophobicContact CD1-CG1 4.33Å; F48-V151 HydrophobicContact CD2-CG2 3.86Å; F48-V151 HydrophobicContact CE2-CG2 4.39Å; F48-V151 HydrophobicContact CG-CB 4.47Å; F48-V151 HydrophobicContact CG-CG1 4.28Å; F48-V151 HydrophobicContact CG-CG2 3.96Å
49A87Confident85.6Confident3 Ų355.7 Ų55.73%0.02528%0.28CS..Hα-helixtrans-57.2-38.1174.100000112.5N45 L46 L53 M71N45-A49 PolarHBondContact O-N 3.12Å; L46-A49 PolarHBondContact O-N 3.45Å; A49-L53 VanDerWaalsContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CB 3.36Å; A49-L53 PolarHBondContact O-N 3Å; A49-M71 HydrophobicContact CB-CB 4.07Å; A49-M71 HydrophobicContact CB-CE 4.08Å
50F89.4Confident85.5Confident109 Ų10961.1 Ų61.148%0.47831%0.31SS..Hα-helixtrans-67.1-42.4172.4-87.3-73.4000112.7L46 S47 F48 E52 L53 T54 F72L46-F50 HydrophobicContact CD1-CD2 4.42Å; L46-F50 HydrophobicContact CD1-CE2 4.08Å; L46-F50 HydrophobicContact CG-CD2 4.26Å; L46-F50 HydrophobicContact CG-CE2 4.12Å; L46-F50 VanDerWaalsContact O-CD2 3.29Å; L46-F50 WeakPolarHBondContact O-CD2 3.18Å; L46-F50 PolarHBondContact O-N 3.44Å; L46-F50 VanDerWaalsContact O-N 3.1Å; S47-F50 PolarHBondContact O-N 2.7Å; F48-F50 VanDerWaalsContact C-N 3.26Å; F48-F50 PolarHBondContact O-N 2.93Å; F50-E52 VanDerWaalsContact C-N 3.34Å; F50-L53 PolarHBondContact O-N 2.86Å; F50-T54 WeakPolarHBondContact O-CB 3.44Å; F50-T54 PolarHBondContact O-N 2.99Å; F50-T54 PolarHBondContact O-OG1 2.87Å; F50-F72 HydrophobicContact CZ-CE2 4.47Å
51V89.6Confident85.2Confident91 Ų9156.7 Ų56.755%0.55229%0.293SS*.Hα-helixtrans-59.7-47.7177.4169.60000110.4S47 F48 T54 Y55S47-V51 WeakPolarHBondContact O-CG2 3.36Å; S47-V51 PolarHBondContact O-N 2.81Å; F48-V51 WeakPolarHBondContact O-CA 3.3Å; F48-V51 WeakPolarHBondContact O-CB 3.43Å; F48-V51 PolarHBondContact O-N 2.93Å; V51-T54 PolarHBondContact O-N 2.98Å; V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.46Å
52E86.7Confident84.7Confident6 Ų663.1 Ų63.13%0.02833%0.327CS..Hα-helixtrans-62.2-43.5175.4-69.7-164.3163.400112F48 F50 T54 Y55 G56 L64 S68 M71 V144F48-E52 HydrophobicContact CD1-CG 4.34Å; F48-E52 VanDerWaalsContact CE1-CD 3.42Å; F48-E52 HydrophobicContact CE1-CG 3.84Å; F48-E52 WeakPolarHBondContact CE1-OE1 3.44Å; F48-E52 HydrophobicContact CE2-CG 4.11Å; F48-E52 HydrophobicContact CZ-CG 3.7Å; F48-E52 WeakPolarHBondContact CZ-OE1 3.43Å; F48-E52 PolarHBondContact O-N 3.17Å; F50-E52 VanDerWaalsContact C-N 3.34Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.85Å; E52-Y55 CarbonylContact O-C 3.53Å; E52-Y55 PolarHBondContact O-N 3.47Å; E52-Y55 VanDerWaalsContact O-N 3.12Å; E52-G56 PolarHBondContact O-N 3.38Å; E52-L64 HydrophobicContact CB-CD2 4.37Å; E52-L64 VanDerWaalsContact O-CD2 3.23Å; E52-L64 WeakPolarHBondContact O-CD2 3.32Å; E52-S68 WeakPolarHBondContact CB-OG 3.35Å; E52-M71 HydrophobicContact CG-CE 4.2Å; E52-M71 WeakPolarHBondContact OE2-CE 3.45Å; E52-V144 HydrophobicContact CG-CG1 3.84Å; E52-V144 WeakPolarHBondContact OE1-CG1 3.31Å
53L88.4Confident84.2Confident40 Ų4063.5 Ų63.521%0.20933%0.334CS..Hα-helixtrans-59.9-43.9179.9-179.562000110.6A49 F50 G56 I57 I65 S68 F69A49-L53 VanDerWaalsContact O-CB 3.28Å; A49-L53 WeakPolarHBondContact O-CB 3.36Å; A49-L53 PolarHBondContact O-N 3Å; F50-L53 PolarHBondContact O-N 2.86Å; L53-G56 PolarHBondContact O-N 2.93Å; L53-I57 HydrophobicContact CD1-CD1 4.13Å; L53-I57 HydrophobicContact CD1-CG1 4.49Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.04Å; L53-I65 HydrophobicContact CD1-CG2 4.34Å; L53-S68 VanDerWaalsContact CA-OG 3.27Å; L53-S68 WeakPolarHBondContact CA-OG 3.47Å; L53-S68 PolarHBondContact N-OG 3.36Å; L53-F69 HydrophobicContact CD1-CE2 4.15Å; L53-F69 HydrophobicContact CD1-CZ 4.32Å
54T88.1Confident83.7Confident93 Ų9361.5 Ų61.557%0.57132%0.32SS*.Hα-helixtrans-66.1-41.2178.9-35.70000110.9F50 V51 E52 W58F50-T54 WeakPolarHBondContact O-CB 3.44Å; F50-T54 PolarHBondContact O-N 2.99Å; F50-T54 PolarHBondContact O-OG1 2.87Å; V51-T54 PolarHBondContact O-N 2.98Å; E52-T54 VanDerWaalsContact C-N 3.27Å; E52-T54 PolarHBondContact O-N 2.85Å; T54-W58 VanDerWaalsContact O-CB 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.87Å
55Y86.4Confident83.4Confident68 Ų6860.3 Ų60.327%0.26731%0.313SS..Hα-helixtrans-68.5-35.8176.7-175.1-106000112.4V51 E52 W58 S59 L64 R140 V144V51-Y55 WeakPolarHBondContact O-CB 3.41Å; V51-Y55 PolarHBondContact O-N 3.46Å; E52-Y55 CarbonylContact O-C 3.53Å; E52-Y55 PolarHBondContact O-N 3.47Å; E52-Y55 VanDerWaalsContact O-N 3.12Å; Y55-W58 AromaticContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CZ3 4.21Å; Y55-W58 AromaticContact CE2-CE3 3.97Å; Y55-W58 HydrophobicContact CE2-CE3 3.97Å; Y55-W58 AromaticContact CE2-CZ3 3.91Å; Y55-W58 HydrophobicContact CE2-CZ3 3.91Å; Y55-W58 PolarHBondContact O-N 3.37Å; Y55-S59 WeakPolarHBondContact O-CB 3.46Å; Y55-S59 PolarHBondContact O-N 2.81Å; Y55-S59 PolarHBondContact O-OG 3.38Å; Y55-L64 HydrophobicContact CD1-CD1 4.24Å; Y55-L64 HydrophobicContact CD1-CD2 3.65Å; Y55-L64 HydrophobicContact CE1-CD1 4.37Å; Y55-L64 HydrophobicContact CG-CD2 4.46Å; Y55-R140 HydrophobicContact CE1-CB 4.36Å; Y55-V144 HydrophobicContact CD1-CG2 3.72Å; Y55-V144 HydrophobicContact CE1-CG2 3.59Å
56G83.4Confident83.1Confident0 Ų060.4 Ų60.40%032%0.315CS..Hα-helixtrans-67.3-45.5176.900000112E52 L53 S59 N60 S61 L64E52-G56 PolarHBondContact O-N 3.38Å; L53-G56 PolarHBondContact O-N 2.93Å; G56-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-OG 3.49Å; G56-N60 WeakPolarHBondContact O-CA 3.46Å; G56-N60 PolarHBondContact O-N 3.44Å; G56-S61 PolarHBondContact O-N 3.09Å; G56-L64 VanDerWaalsContact CA-CD2 3.42Å
57I85.6Confident82.6Confident108 Ų10860.7 Ų60.755%0.55432%0.317SS*.Hα-helixtrans-62.3-45.8172.8-66.2166000110.4L53 S59 N60 I65L53-I57 HydrophobicContact CD1-CD1 4.13Å; L53-I57 HydrophobicContact CD1-CG1 4.49Å; L53-I57 HydrophobicContact CG-CD1 4.06Å; L53-I57 VanDerWaalsContact O-CG1 3.26Å; L53-I57 WeakPolarHBondContact O-CG1 3.47Å; L53-I57 PolarHBondContact O-N 3.04Å; I57-S59 PolarHBondContact O-N 3.22Å; I57-N60 PolarHBondContact O-N 2.88Å; I57-I65 HydrophobicContact CG1-CD1 4.35Å; I57-I65 HydrophobicContact CG1-CG1 4.36Å
58W85.6Confident82.3Confident209 Ų20957.3 Ų57.379%0.79229%0.293SS*.Hα-helixtrans-65.9-37.7-179.6-178.756.9000113.1T54 Y55 N60T54-W58 VanDerWaalsContact O-CB 3.27Å; T54-W58 WeakPolarHBondContact O-CB 3.49Å; T54-W58 PolarHBondContact O-N 2.87Å; Y55-W58 AromaticContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CE3 3.88Å; Y55-W58 HydrophobicContact CD2-CZ3 4.21Å; Y55-W58 AromaticContact CE2-CE3 3.97Å; Y55-W58 HydrophobicContact CE2-CE3 3.97Å; Y55-W58 AromaticContact CE2-CZ3 3.91Å; Y55-W58 HydrophobicContact CE2-CZ3 3.91Å; Y55-W58 PolarHBondContact O-N 3.37Å; W58-N60 VanDerWaalsContact C-N 3.28Å
59S80.1Confident82.1Confident15 Ų1560.8 Ų60.811%0.10531%0.308CS..Hα-helixtrans-83.9-2.2177.464.50000113.8Y55 G56 I57 S61 R140Y55-S59 WeakPolarHBondContact O-CB 3.46Å; Y55-S59 PolarHBondContact O-N 2.81Å; Y55-S59 PolarHBondContact O-OG 3.38Å; G56-S59 PolarHBondContact O-N 3.26Å; G56-S59 PolarHBondContact O-OG 3.49Å; I57-S59 PolarHBondContact O-N 3.22Å; S59-S61 PolarHBondContact O-N 2.92Å; S59-R140 PolarHBondContact O-NH1 3.43Å
60N78.6Confident81.7Confident144 Ų14461.8 Ų61.877%0.7731%0.312SS*.THydrogen-bonded Turntrans51.436.6-175.9-150.328.1000112.9G56 I57 W58G56-N60 WeakPolarHBondContact O-CA 3.46Å; G56-N60 PolarHBondContact O-N 3.44Å; I57-N60 PolarHBondContact O-N 2.88Å; W58-N60 VanDerWaalsContact C-N 3.28Å
61S75.4Confident81.5Confident22 Ų2257.7 Ų57.715%0.15430%0.295CS..  trans-100.2106.4-176.6-176.40000110.2G56 S59 G63 L64 I65G56-S61 PolarHBondContact O-N 3.09Å; S59-S61 PolarHBondContact O-N 2.92Å; S61-G63 PolarHBondContact O-N 3.29Å; S61-L64 PolarHBondContact O-N 3.44Å; S61-I65 WeakPolarHBondContact O-CD1 3.23Å; S61-I65 VanDerWaalsContact O-CG1 3.27Å; S61-I65 WeakPolarHBondContact O-CG1 3.37Å; S61-I65 PolarHBondContact O-N 3.11Å
62L70.9Confident81.3Confident140 Ų14057 Ų5773%0.73329%0.285SS*.Hα-helixtrans-57.3-39.4176.1-70.8171000111.8L64 I65 S66L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.13Å; L62-I65 PolarHBondContact O-N 2.96Å; L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.08Å
63G72.2Confident81.1Confident18 Ų1860 Ų6019%0.18630%0.297CS..Hα-helixtrans-65.8-36.2-179.500000113.5S61 S66 D67 R129S61-G63 PolarHBondContact O-N 3.29Å; G63-S66 WeakPolarHBondContact O-CB 3.41Å; G63-D67 PolarHBondContact O-N 2.98Å; G63-D67 VanDerWaalsContact O-N 3.07Å; G63-R129 PolarHBondContact O-NH2 2.96Å
64L74.9Confident80.7Confident4 Ų458.4 Ų58.42%0.02129%0.289CS..Hα-helixtrans-76.4-32.8177.4-150.4122.6000112.2E52 Y55 G56 S61 L62 D67 S68 L141 V144E52-L64 HydrophobicContact CB-CD2 4.37Å; E52-L64 VanDerWaalsContact O-CD2 3.23Å; E52-L64 WeakPolarHBondContact O-CD2 3.32Å; Y55-L64 HydrophobicContact CD1-CD1 4.24Å; Y55-L64 HydrophobicContact CD1-CD2 3.65Å; Y55-L64 HydrophobicContact CE1-CD1 4.37Å; Y55-L64 HydrophobicContact CG-CD2 4.46Å; G56-L64 VanDerWaalsContact CA-CD2 3.42Å; S61-L64 PolarHBondContact O-N 3.44Å; L62-L64 VanDerWaalsContact C-N 3.34Å; L62-L64 PolarHBondContact O-N 3.13Å; L64-D67 WeakPolarHBondContact O-CB 3.42Å; L64-D67 PolarHBondContact O-N 3.04Å; L64-S68 PolarHBondContact O-N 3.06Å; L64-S68 PolarHBondContact O-OG 3.02Å; L64-L141 HydrophobicContact CD1-CD2 4.32Å; L64-V144 HydrophobicContact CD1-CB 4.21Å; L64-V144 HydrophobicContact CD1-CG1 4.11Å; L64-V144 HydrophobicContact CD1-CG2 4Å
65I80.7Confident80.4Confident34 Ų3454.2 Ų54.217%0.17426%0.264CS..Hα-helixtrans-64.1-44.1172.4-67.7164.4000110.3L53 I57 S61 L62 D67 S68 F69L53-I65 HydrophobicContact CD1-CG2 4.34Å; I57-I65 HydrophobicContact CG1-CD1 4.35Å; I57-I65 HydrophobicContact CG1-CG1 4.36Å; S61-I65 WeakPolarHBondContact O-CD1 3.23Å; S61-I65 VanDerWaalsContact O-CG1 3.27Å; S61-I65 WeakPolarHBondContact O-CG1 3.37Å; S61-I65 PolarHBondContact O-N 3.11Å; L62-I65 PolarHBondContact O-N 2.96Å; I65-D67 VanDerWaalsContact C-N 3.29Å; I65-D67 PolarHBondContact O-N 3.3Å; I65-S68 PolarHBondContact O-N 3.4Å; I65-F69 HydrophobicContact CG2-CD2 3.72Å; I65-F69 HydrophobicContact CG2-CE2 3.55Å; I65-F69 VanDerWaalsContact O-CD2 3.24Å; I65-F69 WeakPolarHBondContact O-CD2 3.33Å; I65-F69 PolarHBondContact O-N 3.43Å; I65-F69 VanDerWaalsContact O-N 3.08Å
66S76.8Confident80.3Confident12 Ų1253.5 Ų53.58%0.08427%0.267CS..Hα-helixtrans-58.1-42.3174.4-168.10000110.9L62 G63 F69 H70 F121 E125L62-S66 WeakPolarHBondContact O-CB 3.41Å; L62-S66 PolarHBondContact O-N 3.08Å; G63-S66 WeakPolarHBondContact O-CB 3.41Å; S66-F69 PolarHBondContact O-N 3.44Å; S66-H70 PolarHBondContact O-N 3.19Å; S66-F121 WeakPolarHBondContact OG-CE1 3.14Å; S66-E125 WeakPolarHBondContact CB-OE2 3.15Å; S66-E125 PolarHBondContact OG-OE2 3.33Å
67D78.4Confident80.1Confident63 Ų6353.7 Ų53.734%0.33727%0.268SS..Hα-helixtrans-60.3-45.8174.7-147.248.6000112.2G63 L64 I65 F69 H70 M71G63-D67 PolarHBondContact O-N 2.98Å; G63-D67 VanDerWaalsContact O-N 3.07Å; L64-D67 WeakPolarHBondContact O-CB 3.42Å; L64-D67 PolarHBondContact O-N 3.04Å; I65-D67 VanDerWaalsContact C-N 3.29Å; I65-D67 PolarHBondContact O-N 3.3Å; D67-F69 PolarHBondContact O-N 2.88Å; D67-H70 VanDerWaalsContact C-ND1 3.31Å; D67-H70 VanDerWaalsContact CA-ND1 3.26Å; D67-H70 WeakPolarHBondContact CA-ND1 3.36Å; D67-H70 PolarHBondContact O-CE1 3.45Å; D67-H70 PolarHBondContact O-N 3.11Å; D67-H70 PolarHBondContact O-ND1 2.86Å; D67-H70 IonicContact OD1-CE1 3.69Å; D67-H70 PolarHBondContact OD1-CE1 3.4Å; D67-H70 IonicContact OD1-ND1 3.07Å; D67-H70 PolarHBondContact OD1-ND1 2.72Å; D67-M71 PolarHBondContact O-N 3.39Å
68S83.1Confident79.8Confident2 Ų249.2 Ų49.21%0.01425%0.245CC..Hα-helixtrans-67.9-35.2-179.7-48.40000113.5E52 L53 L64 I65 F72E52-S68 WeakPolarHBondContact CB-OG 3.35Å; L53-S68 VanDerWaalsContact CA-OG 3.27Å; L53-S68 WeakPolarHBondContact CA-OG 3.47Å; L53-S68 PolarHBondContact N-OG 3.36Å; L64-S68 PolarHBondContact O-N 3.06Å; L64-S68 PolarHBondContact O-OG 3.02Å; I65-S68 PolarHBondContact O-N 3.4Å; S68-F72 WeakPolarHBondContact O-CB 3.47Å; S68-F72 PolarHBondContact O-N 3.01Å
69F82.5Confident79.6Confident95 Ų9543.7 Ų43.742%0.41723%0.231SC..Hα-helixtrans-69.1-37.6178.7-85.4-63.4000112.7L53 I65 S66 D67 F72 F73L53-F69 HydrophobicContact CD1-CE2 4.15Å; L53-F69 HydrophobicContact CD1-CZ 4.32Å; I65-F69 HydrophobicContact CG2-CD2 3.72Å; I65-F69 HydrophobicContact CG2-CE2 3.55Å; I65-F69 VanDerWaalsContact O-CD2 3.24Å; I65-F69 WeakPolarHBondContact O-CD2 3.33Å; I65-F69 PolarHBondContact O-N 3.43Å; I65-F69 VanDerWaalsContact O-N 3.08Å; S66-F69 PolarHBondContact O-N 3.44Å; D67-F69 PolarHBondContact O-N 2.88Å; F69-F72 WeakPolarHBondContact O-CB 3.45Å; F69-F72 PolarHBondContact O-N 2.89Å; F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.97Å
70H79.7Confident79.7Confident24 Ų2445 Ų4511%0.11124%0.243CC..Hα-helixtrans-65.9-47.8177.788.9-97.1000111S66 D67 F72 F73 D74 T118 I122S66-H70 PolarHBondContact O-N 3.19Å; D67-H70 VanDerWaalsContact C-ND1 3.31Å; D67-H70 VanDerWaalsContact CA-ND1 3.26Å; D67-H70 WeakPolarHBondContact CA-ND1 3.36Å; D67-H70 PolarHBondContact O-CE1 3.45Å; D67-H70 PolarHBondContact O-N 3.11Å; D67-H70 PolarHBondContact O-ND1 2.86Å; D67-H70 IonicContact OD1-CE1 3.69Å; D67-H70 PolarHBondContact OD1-CE1 3.4Å; D67-H70 IonicContact OD1-ND1 3.07Å; D67-H70 PolarHBondContact OD1-ND1 2.72Å; H70-F72 PolarHBondContact O-N 3.42Å; H70-F73 PolarHBondContact O-N 3.34Å; H70-D74 IonicContact CD2-OD2 3.83Å; H70-D74 PolarHBondContact O-N 3.41Å; H70-T118 HydrophobicContact CB-CG2 3.73Å; H70-I122 HydrophobicContact CB-CD1 4.29Å; H70-I122 HydrophobicContact CB-CG1 4.47Å
71M83.5Confident79.8Confident24 Ų2438.6 Ų38.612%0.11821%0.211CC..Hα-helixtrans-61.3-32.9176.5-70-160.2-56.200112.5F48 A49 E52 D67 D74 C75F48-M71 HydrophobicContact CD1-CE 3.69Å; F48-M71 HydrophobicContact CD1-SD 4.06Å; F48-M71 HydrophobicContact CE1-CE 3.82Å; F48-M71 HydrophobicContact CE1-SD 4.13Å; A49-M71 HydrophobicContact CB-CB 4.07Å; A49-M71 HydrophobicContact CB-CE 4.08Å; E52-M71 HydrophobicContact CG-CE 4.2Å; E52-M71 WeakPolarHBondContact OE2-CE 3.45Å; D67-M71 PolarHBondContact O-N 3.39Å; M71-D74 PolarHBondContact O-N 3.27Å; M71-C75 WeakPolarHBondContact O-CB 3.41Å; M71-C75 PolarHBondContact O-N 2.94Å; M71-C75 PolarHBondContact O-SG 3.04Å
72F85.3Confident79.9Confident76 Ų7637.9 Ų37.933%0.33321%0.205SC..Hα-helixtrans-64.9-43.4174.3178-92.5000112.3L46 F50 S68 F69 H70 D74 C75 T76L46-F72 HydrophobicContact CD1-CD2 3.89Å; L46-F72 HydrophobicContact CD1-CE2 4.06Å; F50-F72 HydrophobicContact CZ-CE2 4.47Å; S68-F72 WeakPolarHBondContact O-CB 3.47Å; S68-F72 PolarHBondContact O-N 3.01Å; F69-F72 WeakPolarHBondContact O-CB 3.45Å; F69-F72 PolarHBondContact O-N 2.89Å; H70-F72 PolarHBondContact O-N 3.42Å; F72-D74 VanDerWaalsContact C-N 3.33Å; F72-C75 PolarHBondContact O-N 3.07Å; F72-T76 PolarHBondContact O-N 3.19Å; F72-T76 PolarHBondContact O-OG1 3.29Å
73F83.2Confident80.4Confident68 Ų6832.9 Ų32.930%0.29818%0.184SC..Hα-helixtrans-65.6-38.3175.6-75.8-55.9000111.8F69 H70 T76 A77F69-F73 WeakPolarHBondContact O-CD2 3.44Å; F69-F73 PolarHBondContact O-N 2.97Å; H70-F73 PolarHBondContact O-N 3.34Å; F73-T76 WeakPolarHBondContact O-CB 3.05Å; F73-T76 PolarHBondContact O-N 3.48Å; F73-A77 PolarHBondContact O-N 3.22Å
74D79.8Confident80.8Confident7 Ų732.3 Ų32.34%0.03718%0.178CC..Hα-helixtrans-63.2-44.1175.5-65.3-23.1000111.4H70 M71 F72 T76 A77 L78 H266H70-D74 IonicContact CD2-OD2 3.83Å; H70-D74 PolarHBondContact O-N 3.41Å; M71-D74 PolarHBondContact O-N 3.27Å; F72-D74 VanDerWaalsContact C-N 3.33Å; D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 PolarHBondContact O-N 2.95Å; D74-A77 PolarHBondContact O-N 3.4Å; D74-L78 WeakPolarHBondContact O-CG 3.05Å; D74-L78 PolarHBondContact O-N 2.86Å; D74-H266 IonicContact OD2-CE1 3.25Å; D74-H266 PolarHBondContact OD2-CE1 2.94Å
75C82.9Confident80.9Confident6 Ų632.7 Ų32.74%0.04118%0.181CC..Hα-helixtrans-60.4-40.7172.5-70.70000112.3L42 L46 M71 F72 A77 L78 L79L42-C75 HydrophobicContact CD1-CB 4.02Å; L42-C75 VanDerWaalsContact CD1-O 3.23Å; L42-C75 WeakPolarHBondContact CD1-O 3.35Å; L46-C75 HydrophobicContact CB-CB 4.44Å; L46-C75 HydrophobicContact CD1-CB 4.01Å; M71-C75 WeakPolarHBondContact O-CB 3.41Å; M71-C75 PolarHBondContact O-N 2.94Å; M71-C75 PolarHBondContact O-SG 3.04Å; F72-C75 PolarHBondContact O-N 3.07Å; C75-A77 VanDerWaalsContact C-N 3.27Å; C75-A77 PolarHBondContact O-N 3.4Å; C75-L78 PolarHBondContact O-N 3.46Å; C75-L79 WeakPolarHBondContact O-CB 3.31Å; C75-L79 PolarHBondContact O-N 3.47Å
76T82.8Confident80.7Confident53 Ų5331.8 Ų31.833%0.32518%0.176SC..Hα-helixtrans-63.2-37.9178-59.20000111.1F72 F73 D74 L79 A80F72-T76 PolarHBondContact O-N 3.19Å; F72-T76 PolarHBondContact O-OG1 3.29Å; F73-T76 WeakPolarHBondContact O-CB 3.05Å; F73-T76 PolarHBondContact O-N 3.48Å; D74-T76 VanDerWaalsContact C-N 3.32Å; D74-T76 PolarHBondContact O-N 2.95Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.4Å; T76-A80 PolarHBondContact O-N 3.02Å
77A80.1Confident80.9Confident3 Ų333.3 Ų33.33%0.02518%0.183CC..Hα-helixtrans-73.5-38179.500000112.3F73 D74 C75 A80 G81 N111 F114F73-A77 PolarHBondContact O-N 3.22Å; D74-A77 PolarHBondContact O-N 3.4Å; C75-A77 VanDerWaalsContact C-N 3.27Å; C75-A77 PolarHBondContact O-N 3.4Å; A77-A80 PolarHBondContact O-N 3.01Å; A77-G81 PolarHBondContact O-N 3.31Å; A77-N111 HydrophobicContact CB-CB 4.2Å; A77-N111 WeakPolarHBondContact CB-OD1 3.24Å; A77-F114 HydrophobicContact CB-CB 4.47Å
78L78.4Confident80.9Confident14 Ų1430.8 Ų30.87%0.07317%0.171CC..Hα-helixtrans-61.6-41.2168.9-70.1-175.5000112.4F41 L42 D74 C75 G81 L82 V263F41-L78 HydrophobicContact CE1-CD1 4.34Å; L42-L78 HydrophobicContact CD1-CB 3.84Å; D74-L78 WeakPolarHBondContact O-CG 3.05Å; D74-L78 PolarHBondContact O-N 2.86Å; C75-L78 PolarHBondContact O-N 3.46Å; L78-G81 PolarHBondContact O-N 2.9Å; L78-L82 PolarHBondContact O-N 3.23Å; L78-V263 HydrophobicContact CD1-CG1 4.43Å; L78-V263 HydrophobicContact CD2-CB 4.17Å; L78-V263 HydrophobicContact CD2-CG1 4.21Å; L78-V263 HydrophobicContact CD2-CG2 3.43Å; L78-V263 VanDerWaalsContact CD2-CG2 3.43Å
79L82.8Confident80.6Confident93 Ų9337 Ų3749%0.48719%0.194SC..Hα-helixtrans-62.1-42.7174.9177.963.2000111.5L42 C75 T76 G81 L82 A83L42-L79 HydrophobicContact CD1-CB 4.49Å; L42-L79 HydrophobicContact CD2-CB 4.01Å; L42-L79 HydrophobicContact CD2-CD1 3.87Å; C75-L79 WeakPolarHBondContact O-CB 3.31Å; C75-L79 PolarHBondContact O-N 3.47Å; T76-L79 WeakPolarHBondContact O-CB 3.39Å; T76-L79 PolarHBondContact O-N 3.4Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.1Å; L79-L82 PolarHBondContact O-N 3.22Å; L79-A83 WeakPolarHBondContact O-CB 3.35Å; L79-A83 PolarHBondContact O-N 2.99Å
80A82.8Confident80.5Confident44 Ų4437.2 Ų37.236%0.36419%0.192SC..Hα-helixtrans-62.5-40.3175.400000111.7T76 A77 A83 A84T76-A80 PolarHBondContact O-N 3.02Å; A77-A80 PolarHBondContact O-N 3.01Å; A80-A83 PolarHBondContact O-N 3.49Å; A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 2.9Å
81G79.8Confident80.5Confident9 Ų946.8 Ų46.89%0.09323%0.227CC..Hα-helixtrans-61.6-43.717300000113.1A77 L78 L79 A84 S85A77-G81 PolarHBondContact O-N 3.31Å; L78-G81 PolarHBondContact O-N 2.9Å; L79-G81 VanDerWaalsContact C-N 3.33Å; L79-G81 PolarHBondContact O-N 3.1Å; G81-A84 PolarHBondContact O-N 2.95Å; G81-S85 PolarHBondContact O-N 2.62Å
82L77.8Confident80.5Confident6 Ų648.8 Ų48.83%0.03124%0.243CC..Hα-helixtrans-65.3-40.4175.2-179.662.6000112.1I29 L38 F39 L78 L79 A84 S85 V86I29-L82 HydrophobicContact CD1-CD1 4.39Å; I29-L82 HydrophobicContact CD1-CD2 4.08Å; I29-L82 HydrophobicContact CD1-CG 4.09Å; I29-L82 HydrophobicContact CG1-CD1 4.19Å; I29-L82 HydrophobicContact CG1-CG 4.44Å; I29-L82 HydrophobicContact CG2-CD1 4.2Å; I29-L82 HydrophobicContact CG2-CD2 4.2Å; L38-L82 HydrophobicContact CD2-CB 4.13Å; L38-L82 HydrophobicContact CD2-CD1 4.19Å; L38-L82 HydrophobicContact CD2-CD2 4.28Å; L38-L82 HydrophobicContact CD2-CG 4.43Å; F39-L82 HydrophobicContact CB-CD2 4.28Å; F39-L82 HydrophobicContact CD2-CD2 3.96Å; L78-L82 PolarHBondContact O-N 3.23Å; L79-L82 PolarHBondContact O-N 3.22Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.03Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-S85 PolarHBondContact O-OG 2.69Å; L82-V86 PolarHBondContact O-N 2.9Å
83A80.9Confident80.6Confident36 Ų3648.2 Ų48.230%0.29824%0.244SC..Hα-helixtrans-63.1-41.6174.500000111L79 A80 S85 V86 I87L79-A83 WeakPolarHBondContact O-CB 3.35Å; L79-A83 PolarHBondContact O-N 2.99Å; A80-A83 PolarHBondContact O-N 3.49Å; A83-S85 PolarHBondContact O-N 3.27Å; A83-V86 PolarHBondContact O-N 3.45Å; A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.39Å
84A81.9Confident80.6Confident6 Ų652 Ų525%0.0527%0.267CS..Hα-helixtrans-64.5-37.3178.300000113.2A80 G81 L82 V86 I87 S88 A107A80-A84 WeakPolarHBondContact O-CB 3.34Å; A80-A84 PolarHBondContact O-N 2.9Å; G81-A84 PolarHBondContact O-N 2.95Å; L82-A84 VanDerWaalsContact C-N 3.32Å; L82-A84 PolarHBondContact O-N 3.03Å; A84-V86 VanDerWaalsContact C-N 3.25Å; A84-V86 PolarHBondContact O-N 2.95Å; A84-I87 PolarHBondContact O-N 3.4Å; A84-S88 WeakPolarHBondContact O-CB 3.26Å; A84-S88 PolarHBondContact O-N 3.22Å; A84-A107 HydrophobicContact CB-CB 3.33Å
85S75.4Confident80.7Confident12 Ų1256.6 Ų56.68%0.08430%0.3CS..Hα-helixtrans-68.6-23.6175.775.70000113.5G81 L82 A83 S88 E104G81-S85 PolarHBondContact O-N 2.62Å; L82-S85 PolarHBondContact O-N 3.28Å; L82-S85 PolarHBondContact O-OG 2.69Å; A83-S85 PolarHBondContact O-N 3.27Å; S85-S88 PolarHBondContact O-OG 3.44Å; S85-E104 WeakPolarHBondContact CA-OE1 3.26Å
86V77Confident80.9Confident14 Ų1461.2 Ų61.29%0.08532%0.32CS..Hα-helixtrans-78.8-41.8169.9175.60000110.8W25 I29 L82 A83 A84 R89 W90W25-V86 HydrophobicContact CB-CG1 4.24Å; W25-V86 HydrophobicContact CD2-CG1 4.34Å; W25-V86 HydrophobicContact CG-CG1 3.94Å; I29-V86 HydrophobicContact CD1-CG2 4.01Å; I29-V86 HydrophobicContact CG1-CG2 3.68Å; L82-V86 PolarHBondContact O-N 2.9Å; A83-V86 PolarHBondContact O-N 3.45Å; A84-V86 VanDerWaalsContact C-N 3.25Å; A84-V86 PolarHBondContact O-N 2.95Å; V86-R89 PolarHBondContact O-N 3.45Å; V86-W90 PolarHBondContact O-NE1 2.88Å
87I80.7Confident81Confident44 Ų4463.4 Ų63.423%0.22634%0.337CS..Hα-helixtrans-65.9-37.9179.9-68.8164000111.3A83 A84 R89 W90 Y100 A103A83-I87 VanDerWaalsContact O-CG1 3.27Å; A83-I87 WeakPolarHBondContact O-CG1 3.45Å; A83-I87 PolarHBondContact O-N 3.39Å; A84-I87 PolarHBondContact O-N 3.4Å; I87-R89 PolarHBondContact O-N 3.16Å; I87-R89 VanDerWaalsContact O-N 3.1Å; I87-W90 HydrophobicContact CB-CZ2 4.49Å; I87-W90 HydrophobicContact CG1-CH2 3.87Å; I87-W90 HydrophobicContact CG1-CZ2 3.75Å; I87-W90 HydrophobicContact CG1-CZ3 4.42Å; I87-W90 HydrophobicContact CG2-CE3 4.27Å; I87-W90 HydrophobicContact CG2-CZ3 4.35Å; I87-W90 WeakPolarHBondContact O-CB 3.23Å; I87-W90 PolarHBondContact O-N 2.88Å; I87-Y100 HydrophobicContact CG2-CD1 4.01Å; I87-Y100 HydrophobicContact CG2-CG 4.24Å; I87-Y100 VanDerWaalsContact O-CB 3.24Å; I87-Y100 WeakPolarHBondContact O-CB 3.44Å; I87-A103 HydrophobicContact CB-CB 4.38Å; I87-A103 HydrophobicContact CG2-CB 3.85Å
88S79Confident81Confident11 Ų1167.9 Ų67.98%0.07735%0.354CS..THydrogen-bonded Turntrans-59.4-24.7179.967.40000113.5A84 S85 W90 E104A84-S88 WeakPolarHBondContact O-CB 3.26Å; A84-S88 PolarHBondContact O-N 3.22Å; S85-S88 PolarHBondContact O-OG 3.44Å; S88-W90 VanDerWaalsContact C-N 3.32Å; S88-E104 VanDerWaalsContact CB-CD 3.45Å; S88-E104 VanDerWaalsContact CB-OE1 3.29Å; S88-E104 WeakPolarHBondContact CB-OE1 3.47Å; S88-E104 VanDerWaalsContact OG-CD 3.27Å; S88-E104 PolarHBondContact OG-OE1 3.37Å
89R77.3Confident81.4Confident132 Ų13268 Ų6850%0.49836%0.358SS..THydrogen-bonded Turntrans-83.7-3.6179.4-61.3178.3-177.5-150.8-0.8113.7V86 I87V86-R89 PolarHBondContact O-N 3.45Å; I87-R89 PolarHBondContact O-N 3.16Å; I87-R89 VanDerWaalsContact O-N 3.1Å
90W80.6Confident81.5Confident100 Ų10065.9 Ų65.938%0.37934%0.344SS..SBendtrans-70.7145.9178.2-66.51.9000111.4W25 V86 I87 S88 Y100W25-W90 AromaticContact CE2-CZ2 3.63Å; W25-W90 HydrophobicContact CH2-CH2 4.13Å; W25-W90 HydrophobicContact CH2-CZ2 4.01Å; W25-W90 AromaticContact CZ2-CH2 3.6Å; W25-W90 HydrophobicContact CZ2-CH2 3.6Å; W25-W90 AromaticContact CZ2-CZ2 3.2Å; W25-W90 HydrophobicContact CZ2-CZ2 3.2Å; W25-W90 AromaticContact NE1-CZ2 3.77Å; V86-W90 PolarHBondContact O-NE1 2.88Å; I87-W90 HydrophobicContact CB-CZ2 4.49Å; I87-W90 HydrophobicContact CG1-CH2 3.87Å; I87-W90 HydrophobicContact CG1-CZ2 3.75Å; I87-W90 HydrophobicContact CG1-CZ3 4.42Å; I87-W90 HydrophobicContact CG2-CE3 4.27Å; I87-W90 HydrophobicContact CG2-CZ3 4.35Å; I87-W90 WeakPolarHBondContact O-CB 3.23Å; I87-W90 PolarHBondContact O-N 2.88Å; S88-W90 VanDerWaalsContact C-N 3.32Å; W90-Y100 HydrophobicContact CB-CD2 3.78Å; W90-Y100 HydrophobicContact CB-CE2 4.33Å; W90-Y100 HydrophobicContact CB-CG 4.38Å; W90-Y100 HydrophobicContact CE3-CD2 4.43Å; W90-Y100 HydrophobicContact CE3-CE2 4.34Å
91R79.2Confident81.5Confident225 Ų22564.9 Ų64.985%0.84933%0.334SS*.PPolyproline II helixtrans-64.9148.9177.2-165.6179.2179.4111.40.5110.4
92S83.2Confident81.8Confident66 Ų6668.5 Ų68.546%0.46234%0.344SS..PPolyproline II helixtrans-59.8152170.7520000112F96S92-F96 WeakPolarHBondContact CB-O 3.45Å
93N87Confident82.2Confident63 Ų6369.3 Ų69.334%0.33735%0.352SS..BIsolated β-bridgetrans-137.2176174.362.935.8000109.6S95 F96 S97 Y100N93-S95 PolarHBondContact O-N 2.92Å; N93-S95 WeakPolarHBondContact OD1-CB 3.21Å; N93-S95 PolarHBondContact OD1-N 2.84Å; N93-S95 VanDerWaalsContact OD1-N 3.08Å; N93-F96 PolarHBondContact N-O 3.43Å; N93-F96 CarbonylContact O-C 3.56Å; N93-F96 PolarHBondContact O-N 2.96Å; N93-F96 WeakPolarHBondContact OD1-CD2 3.3Å; N93-F96 PolarHBondContact OD1-N 2.89Å; N93-S97 PolarHBondContact O-N 2.8Å; N93-Y100 PolarHBondContact ND2-OH 2.91Å
94D84.2Confident82.1Confident149 Ų14967.9 Ų67.980%0.79734%0.339SS*.THydrogen-bonded Turntrans-64.5-23.2-175.2-62.8-23.7000113.8
95S82.3Confident82.3Confident103 Ų10368 Ų6872%0.7234%0.339SS*.THydrogen-bonded Turntrans-81.9-28.2173.9-55.70000113.1N93N93-S95 PolarHBondContact O-N 2.92Å; N93-S95 WeakPolarHBondContact OD1-CB 3.21Å; N93-S95 PolarHBondContact OD1-N 2.84Å; N93-S95 VanDerWaalsContact OD1-N 3.08Å
96F85.3Confident82.9Confident103 Ų10371.9 Ų71.945%0.45236%0.358SS..BIsolated β-bridgetrans-128.579.7-177.7-62.9-80.4000110.3S92 N93 Y98 G99 Y100S92-F96 WeakPolarHBondContact CB-O 3.45Å; N93-F96 PolarHBondContact N-O 3.43Å; N93-F96 CarbonylContact O-C 3.56Å; N93-F96 PolarHBondContact O-N 2.96Å; N93-F96 WeakPolarHBondContact OD1-CD2 3.3Å; N93-F96 PolarHBondContact OD1-N 2.89Å; F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.95Å; F96-G99 WeakPolarHBondContact O-CA 3.48Å; F96-G99 PolarHBondContact O-N 2.82Å; F96-Y100 AromaticContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE2 4.3Å; F96-Y100 AromaticContact CD2-CZ 3.51Å; F96-Y100 VanDerWaalsContact CD2-OH 3.26Å; F96-Y100 WeakPolarHBondContact CD2-OH 3.21Å; F96-Y100 AromaticContact CE2-CE1 3.83Å; F96-Y100 HydrophobicContact CE2-CE1 3.83Å; F96-Y100 AromaticContact CE2-CZ 3.95Å; F96-Y100 HydrophobicContact CG-CE1 4.18Å; F96-Y100 HydrophobicContact CZ-CE1 4.37Å
97S85Confident83.2Confident99 Ų9971.8 Ų71.869%0.69236%0.359SS*.THydrogen-bonded Turntrans-60.8-35.5-175.5-41.10000113.4N93 G99N93-S97 PolarHBondContact O-N 2.8Å; S97-G99 VanDerWaalsContact C-N 3.29Å
98Y81.5Confident83.3Confident97 Ų9771.1 Ų71.138%0.3836%0.363SS..THydrogen-bonded Turntrans-83.8-0.3174.8-70.6-69000113.6F96 V101 L355 I361 Y394F96-Y98 VanDerWaalsContact C-N 3.3Å; F96-Y98 PolarHBondContact O-N 2.95Å; Y98-V101 WeakPolarHBondContact O-CG2 3.28Å; Y98-L355 HydrophobicContact CD1-CD2 4.22Å; Y98-L355 HydrophobicContact CG-CD1 4.26Å; Y98-L355 HydrophobicContact CG-CD2 4.42Å; Y98-I361 HydrophobicContact CD1-CD1 3.84Å; Y98-I361 HydrophobicContact CE1-CD1 3.67Å; Y98-Y394 HydrophobicContact CE1-CE2 4.41Å
99G86.4Confident83.6Confident16 Ų1672.9 Ų72.917%0.16537%0.369CS..  trans77.5-164.5-174.400000113.8F96 S97F96-G99 WeakPolarHBondContact O-CA 3.48Å; F96-G99 PolarHBondContact O-N 2.82Å; S97-G99 VanDerWaalsContact C-N 3.29Å
100Y85.1Confident84.1Confident49 Ų4969.2 Ų69.219%0.19236%0.361CS..SBendtrans-99.412.1-171.1-71.7-86.9000114.2I87 W90 N93 F96 R102 A103I87-Y100 HydrophobicContact CG2-CD1 4.01Å; I87-Y100 HydrophobicContact CG2-CG 4.24Å; I87-Y100 VanDerWaalsContact O-CB 3.24Å; I87-Y100 WeakPolarHBondContact O-CB 3.44Å; W90-Y100 HydrophobicContact CB-CD2 3.78Å; W90-Y100 HydrophobicContact CB-CE2 4.33Å; W90-Y100 HydrophobicContact CB-CG 4.38Å; W90-Y100 HydrophobicContact CE3-CD2 4.43Å; W90-Y100 HydrophobicContact CE3-CE2 4.34Å; N93-Y100 PolarHBondContact ND2-OH 2.91Å; F96-Y100 AromaticContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE1 3.73Å; F96-Y100 HydrophobicContact CD2-CE2 4.3Å; F96-Y100 AromaticContact CD2-CZ 3.51Å; F96-Y100 VanDerWaalsContact CD2-OH 3.26Å; F96-Y100 WeakPolarHBondContact CD2-OH 3.21Å; F96-Y100 AromaticContact CE2-CE1 3.83Å; F96-Y100 HydrophobicContact CE2-CE1 3.83Å; F96-Y100 AromaticContact CE2-CZ 3.95Å; F96-Y100 HydrophobicContact CG-CE1 4.18Å; F96-Y100 HydrophobicContact CZ-CE1 4.37Å; Y100-R102 PolarHBondContact O-N 2.82Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; Y100-A103 WeakPolarHBondContact O-CB 3.27Å; Y100-A103 PolarHBondContact O-N 3.28Å
101V82.1Confident84.2Confident23 Ų2366.1 Ų66.114%0.13935%0.352CS..THydrogen-bonded Turntrans-59.4-24.7-175.9-87.60000114.6Y98 A103 L355 C356Y98-V101 WeakPolarHBondContact O-CG2 3.28Å; V101-A103 PolarHBondContact O-N 3.11Å; V101-L355 HydrophobicContact CG2-CD2 3.61Å; V101-L355 HydrophobicContact CG2-CG 3.94Å; V101-C356 HydrophobicContact CB-CB 4.24Å
102R86.6Confident84.4Confident84 Ų8455.5 Ų55.532%0.31731%0.313SS..Hα-helixtrans-72.2-13.5174.1-75.8-177176.1174.65114Y100 E104 V105 L106 L355Y100-R102 PolarHBondContact O-N 2.82Å; Y100-R102 VanDerWaalsContact O-N 3.12Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 PolarHBondContact O-N 3.33Å; R102-V105 PolarHBondContact O-N 3.05Å; R102-L106 PolarHBondContact O-N 2.86Å; R102-L355 HydrophobicContact CG-CD1 4.17Å; R102-L355 VanDerWaalsContact CG-O 3.26Å; R102-L355 WeakPolarHBondContact CG-O 3.47Å
103A84.9Confident84.6Confident23 Ų2356.3 Ų56.319%0.1931%0.312CS..Hα-helixtrans-60.8-35.7-179.600000112.2I87 Y100 V101 L106 A107I87-A103 HydrophobicContact CB-CB 4.38Å; I87-A103 HydrophobicContact CG2-CB 3.85Å; Y100-A103 WeakPolarHBondContact O-CB 3.27Å; Y100-A103 PolarHBondContact O-N 3.28Å; V101-A103 PolarHBondContact O-N 3.11Å; A103-L106 PolarHBondContact O-N 3.16Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 2.85Å
104E80.6Confident84.5Confident7 Ų756.8 Ų56.83%0.03331%0.311CS..Hα-helixtrans-63.8-46.5176.5-75.1167.7168.500111.8S85 S88 R102 L106 A107 G108 S255 I259S85-E104 WeakPolarHBondContact CA-OE1 3.26Å; S88-E104 VanDerWaalsContact CB-CD 3.45Å; S88-E104 VanDerWaalsContact CB-OE1 3.29Å; S88-E104 WeakPolarHBondContact CB-OE1 3.47Å; S88-E104 VanDerWaalsContact OG-CD 3.27Å; S88-E104 PolarHBondContact OG-OE1 3.37Å; R102-E104 VanDerWaalsContact C-N 3.26Å; R102-E104 PolarHBondContact O-N 3.33Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.6Å; E104-A107 PolarHBondContact O-N 2.84Å; E104-G108 PolarHBondContact O-N 3.08Å; E104-S255 WeakPolarHBondContact OE2-CB 3.5Å; E104-S255 PolarHBondContact OE2-OG 2.89Å; E104-I259 HydrophobicContact CB-CD1 4.35Å; E104-I259 HydrophobicContact CG-CD1 4.05Å
105V85.8Confident84.4Confident8 Ų850.6 Ų50.65%0.04828%0.278CS..Hα-helixtrans-62.8-41.7177.8-177.40000110.6R102 G108 F109 I318 L319 C356R102-V105 PolarHBondContact O-N 3.05Å; V105-G108 PolarHBondContact O-N 2.98Å; V105-F109 WeakPolarHBondContact O-CB 3.39Å; V105-F109 PolarHBondContact O-N 2.86Å; V105-I318 HydrophobicContact CB-CG2 4.47Å; V105-I318 HydrophobicContact CG1-CB 3.89Å; V105-I318 HydrophobicContact CG1-CD1 4.25Å; V105-I318 HydrophobicContact CG1-CG2 3.88Å; V105-I318 HydrophobicContact CG2-CD1 4.31Å; V105-I318 HydrophobicContact CG2-CG2 3.97Å; V105-L319 HydrophobicContact CG1-CD2 4.21Å; V105-L319 HydrophobicContact CG1-CG 4.07Å; V105-C356 HydrophobicContact CG2-CB 4.35Å
106L87.3Confident84.7Confident93 Ų9349.2 Ų49.249%0.48726%0.261SS..Hα-helixtrans-64.4-42.4177.2-17665.6000111.7R102 A103 E104 F109 V110R102-L106 PolarHBondContact O-N 2.86Å; A103-L106 PolarHBondContact O-N 3.16Å; E104-L106 VanDerWaalsContact C-N 3.32Å; E104-L106 PolarHBondContact O-N 2.6Å; L106-F109 PolarHBondContact O-N 2.79Å; L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.39Å
107A84.3Confident84.8Confident13 Ų1349.7 Ų49.711%0.10726%0.263CS..Hα-helixtrans-65.7-40.3176.400000112A84 A103 E104 F109 V110 N111A84-A107 HydrophobicContact CB-CB 3.33Å; A103-A107 WeakPolarHBondContact O-CB 3.46Å; A103-A107 PolarHBondContact O-N 2.85Å; E104-A107 PolarHBondContact O-N 2.84Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 2.83Å; A107-V110 PolarHBondContact O-N 2.95Å; A107-N111 VanDerWaalsContact O-CB 3.24Å; A107-N111 WeakPolarHBondContact O-CB 3.16Å; A107-N111 PolarHBondContact O-N 3.48Å
108G80.9Confident84.8Confident29 Ų2945.1 Ų45.130%0.29923%0.231SC..Hα-helixtrans-60.2-42.5172.400000112.6E104 V105 N111 G112E104-G108 PolarHBondContact O-N 3.08Å; V105-G108 PolarHBondContact O-N 2.98Å; G108-N111 PolarHBondContact O-N 2.92Å; G108-G112 PolarHBondContact O-N 3.43Å
109F86.9Confident85Confident48 Ų4840.9 Ų40.921%0.21122%0.216CC..Hα-helixtrans-62.3-49.5174.9176.5-106.2000112.4V105 L106 A107 N111 G112 L113 L312 I316 L319V105-F109 WeakPolarHBondContact O-CB 3.39Å; V105-F109 PolarHBondContact O-N 2.86Å; L106-F109 PolarHBondContact O-N 2.79Å; A107-F109 VanDerWaalsContact C-N 3.35Å; A107-F109 PolarHBondContact O-N 2.83Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.5Å; F109-G112 PolarHBondContact O-N 2.85Å; F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 4.35Å; F109-L113 HydrophobicContact CZ-CG 4.24Å; F109-L113 PolarHBondContact O-N 3.35Å; F109-L312 HydrophobicContact CD2-CD2 3.66Å; F109-L312 HydrophobicContact CE2-CD2 3.91Å; F109-I316 HydrophobicContact CD2-CG1 3.94Å; F109-I316 HydrophobicContact CE2-CD1 4.02Å; F109-I316 HydrophobicContact CE2-CG1 3.57Å; F109-L319 HydrophobicContact CB-CD1 4.13Å; F109-L319 HydrophobicContact CD1-CD1 4.31Å; F109-L319 HydrophobicContact CD2-CD1 4.47Å; F109-L319 HydrophobicContact CG-CD1 4.04Å
110V86.2Confident85.2Confident55 Ų5547 Ų4733%0.33324%0.239SC..Hα-helixtrans-62.3-41.2178.1171.20000111L106 A107 G112 L113 F114L106-V110 WeakPolarHBondContact O-CG2 3.47Å; L106-V110 PolarHBondContact O-N 3.39Å; A107-V110 PolarHBondContact O-N 2.95Å; V110-G112 PolarHBondContact O-N 3.33Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.48Å; V110-L113 VanDerWaalsContact O-N 3.16Å; V110-F114 HydrophobicContact CG1-CD2 3.82Å; V110-F114 HydrophobicContact CG1-CE2 3.57Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.05Å; V110-F114 PolarHBondContact O-N 2.96Å
111N83.4Confident85.2Confident35 Ų3548.7 Ų48.719%0.18725%0.247CC..Hα-helixtrans-58.1-46.1172.8177.550.1000111.5A77 A107 G108 F109 L113 F114 L115A77-N111 HydrophobicContact CB-CB 4.2Å; A77-N111 WeakPolarHBondContact CB-OD1 3.24Å; A107-N111 VanDerWaalsContact O-CB 3.24Å; A107-N111 WeakPolarHBondContact O-CB 3.16Å; A107-N111 PolarHBondContact O-N 3.48Å; G108-N111 PolarHBondContact O-N 2.92Å; F109-N111 VanDerWaalsContact C-N 3.33Å; F109-N111 PolarHBondContact O-N 3.5Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.32Å; N111-F114 PolarHBondContact O-N 3.38Å; N111-F114 VanDerWaalsContact O-N 3.13Å; N111-L115 WeakPolarHBondContact O-CG 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å
112G83.8Confident85.3Confident2 Ų248.8 Ų48.82%0.02125%0.247CC..Hα-helixtrans-58.2-37.1174.900000113.3G108 F109 V110 L115 I116 V308G108-G112 PolarHBondContact O-N 3.43Å; F109-G112 PolarHBondContact O-N 2.85Å; V110-G112 PolarHBondContact O-N 3.33Å; G112-L115 PolarHBondContact O-N 3.48Å; G112-I116 PolarHBondContact O-N 3.2Å; G112-I116 VanDerWaalsContact O-N 3.08Å; G112-V308 VanDerWaalsContact O-CG1 3.31Å; G112-V308 WeakPolarHBondContact O-CG1 3.24Å
113L87.4Confident85.5Confident84 Ų8449.1 Ų49.144%0.4425%0.251SS..Hα-helixtrans-67.1-41.2174.8-66.1178.7000112.4F109 V110 N111 L115 I116 F117 L312F109-L113 HydrophobicContact CD1-CD1 4.26Å; F109-L113 HydrophobicContact CE1-CD1 3.64Å; F109-L113 HydrophobicContact CE1-CG 4.32Å; F109-L113 HydrophobicContact CZ-CD1 3.88Å; F109-L113 HydrophobicContact CZ-CD2 4.35Å; F109-L113 HydrophobicContact CZ-CG 4.24Å; F109-L113 PolarHBondContact O-N 3.35Å; V110-L113 WeakPolarHBondContact O-CB 3.39Å; V110-L113 PolarHBondContact O-N 3.48Å; V110-L113 VanDerWaalsContact O-N 3.16Å; N111-L113 VanDerWaalsContact C-N 3.27Å; N111-L113 PolarHBondContact O-N 3.32Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L113-I116 PolarHBondContact O-N 3Å; L113-F117 PolarHBondContact O-N 3.46Å; L113-L312 HydrophobicContact CD2-CD2 4.47Å
114F84.6Confident85.6Confident73 Ų7350.7 Ų50.732%0.3226%0.26SS..Hα-helixtrans-61.9-42.7173.9-80.9-67.1000111.6A77 V110 N111 I116 F117 T118A77-F114 HydrophobicContact CB-CB 4.47Å; V110-F114 HydrophobicContact CG1-CD2 3.82Å; V110-F114 HydrophobicContact CG1-CE2 3.57Å; V110-F114 VanDerWaalsContact O-CD2 3.29Å; V110-F114 WeakPolarHBondContact O-CD2 3.05Å; V110-F114 PolarHBondContact O-N 2.96Å; N111-F114 PolarHBondContact O-N 3.38Å; N111-F114 VanDerWaalsContact O-N 3.13Å; F114-I116 PolarHBondContact O-N 2.94Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 2.97Å; F114-F117 VanDerWaalsContact O-N 3.14Å; F114-T118 WeakPolarHBondContact O-CB 3.48Å; F114-T118 PolarHBondContact O-N 3.34Å; F114-T118 PolarHBondContact O-OG1 3.31Å
115L82.9Confident85.8Confident18 Ų1852 Ų529%0.09427%0.266CS..Hα-helixtrans-64.2-37.1178-68.1171.2000112.8N111 G112 L113 A119 I304 V308N111-L115 WeakPolarHBondContact O-CG 3.48Å; N111-L115 PolarHBondContact O-N 3.2Å; G112-L115 PolarHBondContact O-N 3.48Å; L113-L115 VanDerWaalsContact C-N 3.35Å; L115-A119 VanDerWaalsContact O-CB 3.24Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.07Å; L115-I304 HydrophobicContact CB-CG2 4.46Å; L115-V308 HydrophobicContact CB-CG1 4.41Å; L115-V308 HydrophobicContact CB-CG2 3.51Å; L115-V308 HydrophobicContact CD1-CG2 3.75Å; L115-V308 HydrophobicContact CG-CG2 4.27Å
116I87.8Confident85.8Confident74 Ų7451.6 Ų51.638%0.37926%0.264SS..Hα-helixtrans-64-44.6172-72.7-175.6000111G112 L113 F114 A119 F120 V308 L312G112-I116 PolarHBondContact O-N 3.2Å; G112-I116 VanDerWaalsContact O-N 3.08Å; L113-I116 PolarHBondContact O-N 3Å; F114-I116 PolarHBondContact O-N 2.94Å; I116-A119 PolarHBondContact O-N 3.23Å; I116-F120 WeakPolarHBondContact O-CB 3.26Å; I116-F120 PolarHBondContact O-N 3.12Å; I116-V308 HydrophobicContact CD1-CG1 4.32Å; I116-V308 HydrophobicContact CG1-CB 4.45Å; I116-V308 HydrophobicContact CG1-CG1 3.87Å; I116-L312 HydrophobicContact CD1-CD1 3.26Å; I116-L312 HydrophobicContact CG1-CD1 4.17Å
117F87.3Confident85.9Confident113 Ų11349.6 Ų49.650%0.49626%0.256SS..Hα-helixtrans-60.7-47.4178.3174.6-98.3000111.3L113 F114 F120 F121L113-F117 PolarHBondContact O-N 3.46Å; F114-F117 WeakPolarHBondContact O-CB 3.42Å; F114-F117 PolarHBondContact O-N 2.97Å; F114-F117 VanDerWaalsContact O-N 3.14Å; F117-F120 PolarHBondContact O-N 2.91Å; F117-F121 PolarHBondContact O-N 3.16Å
118T84.1Confident85.9Confident3 Ų354.8 Ų54.82%0.01828%0.278CS..Hα-helixtrans-59.3-48.1174.8-66.70000111.7H70 F114 F120 F121 I122H70-T118 HydrophobicContact CB-CG2 3.73Å; F114-T118 WeakPolarHBondContact O-CB 3.48Å; F114-T118 PolarHBondContact O-N 3.34Å; F114-T118 PolarHBondContact O-OG1 3.31Å; T118-F120 VanDerWaalsContact C-N 3.33Å; T118-F120 PolarHBondContact O-N 3.37Å; T118-F121 WeakPolarHBondContact O-CB 3.2Å; T118-F121 PolarHBondContact O-N 3.44Å; T118-F121 VanDerWaalsContact O-N 3.15Å; T118-I122 HydrophobicContact CG2-CD1 3.69Å; T118-I122 HydrophobicContact CG2-CG1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.18Å; T118-I122 PolarHBondContact O-N 2.93Å
119A86.9Confident85.9Confident8 Ų855.5 Ų55.57%0.06627%0.271CS..Hα-helixtrans-60.1-42.7178.500000112L115 I116 F121 F123 A301 I304L115-A119 VanDerWaalsContact O-CB 3.24Å; L115-A119 WeakPolarHBondContact O-CB 3.29Å; L115-A119 PolarHBondContact O-N 3.07Å; I116-A119 PolarHBondContact O-N 3.23Å; A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 3.46Å; A119-F123 VanDerWaalsContact O-CB 3.28Å; A119-F123 WeakPolarHBondContact O-CB 3.2Å; A119-F123 PolarHBondContact O-N 2.86Å; A119-A301 WeakPolarHBondContact O-CB 3.31Å; A119-I304 HydrophobicContact CB-CB 4.22Å; A119-I304 HydrophobicContact CB-CG2 3.97Å
120F89.9Confident85.9Confident145 Ų14555 Ų5564%0.63628%0.277SS*.Hα-helixtrans-61.8-42.3175.2174.8-98.4000112I116 F117 T118 F123 S124I116-F120 WeakPolarHBondContact O-CB 3.26Å; I116-F120 PolarHBondContact O-N 3.12Å; F117-F120 PolarHBondContact O-N 2.91Å; T118-F120 VanDerWaalsContact C-N 3.33Å; T118-F120 PolarHBondContact O-N 3.37Å; F120-F123 PolarHBondContact O-N 3.21Å; F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 2.97Å
121F85.8Confident85.9Confident84 Ų8459 Ų5937%0.36830%0.295SS..Hα-helixtrans-63.9-49.2178.4-174.5-105.5000112.1S66 F117 T118 A119 F123 S124 E125S66-F121 WeakPolarHBondContact OG-CE1 3.14Å; F117-F121 PolarHBondContact O-N 3.16Å; T118-F121 WeakPolarHBondContact O-CB 3.2Å; T118-F121 PolarHBondContact O-N 3.44Å; T118-F121 VanDerWaalsContact O-N 3.15Å; A119-F121 VanDerWaalsContact C-N 3.34Å; A119-F121 PolarHBondContact O-N 3.46Å; F121-F123 VanDerWaalsContact C-N 3.29Å; F121-F123 PolarHBondContact O-N 2.96Å; F121-S124 PolarHBondContact O-N 3.33Å; F121-E125 WeakPolarHBondContact O-CB 3.24Å; F121-E125 PolarHBondContact O-N 3.36Å
122I84.3Confident85.7Confident25 Ų2564.7 Ų64.713%0.12832%0.321CS..Hα-helixtrans-60-40.9176.1-63.9169.3000110.9H70 T118 G126 A301 I304H70-I122 HydrophobicContact CB-CD1 4.29Å; H70-I122 HydrophobicContact CB-CG1 4.47Å; T118-I122 HydrophobicContact CG2-CD1 3.69Å; T118-I122 HydrophobicContact CG2-CG1 4.31Å; T118-I122 WeakPolarHBondContact O-CG1 3.18Å; T118-I122 PolarHBondContact O-N 2.93Å; I122-G126 PolarHBondContact O-N 3.38Å; I122-A301 HydrophobicContact CB-CB 4.12Å; I122-A301 HydrophobicContact CG2-CB 3.96Å; I122-I304 HydrophobicContact CD1-CD1 4.46Å
123F89.9Confident85Confident91 Ų9168.4 Ų68.440%0.39935%0.345SS..Hα-helixtrans-63.4-46.2177-174.3-91.5000111.8A119 F120 F121 E125 G126 V127 M298 A301A119-F123 VanDerWaalsContact O-CB 3.28Å; A119-F123 WeakPolarHBondContact O-CB 3.2Å; A119-F123 PolarHBondContact O-N 2.86Å; F120-F123 PolarHBondContact O-N 3.21Å; F121-F123 VanDerWaalsContact C-N 3.29Å; F121-F123 PolarHBondContact O-N 2.96Å; F123-E125 PolarHBondContact O-N 3.47Å; F123-G126 PolarHBondContact O-N 3.36Å; F123-V127 HydrophobicContact CD1-CG2 4.1Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CZ-CG2 4.13Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 2.58Å; F123-M298 HydrophobicContact CD2-CB 4.1Å; F123-M298 HydrophobicContact CD2-CG 4.04Å; F123-M298 HydrophobicContact CE2-CB 4.08Å; F123-M298 HydrophobicContact CE2-CG 4.04Å; F123-M298 HydrophobicContact CE2-SD 4.27Å; F123-M298 HydrophobicContact CZ-SD 4.49Å; F123-A301 HydrophobicContact CB-CB 3.81Å; F123-A301 HydrophobicContact CD2-CB 4.41Å
124S88.3Confident83.9Confident57 Ų5767.7 Ų67.740%0.39935%0.345SS..Hα-helixtrans-60.4-45.4178.3-172.30000111.7F120 F121 G126 V127 E128F120-S124 WeakPolarHBondContact O-CB 3.39Å; F120-S124 PolarHBondContact O-N 2.97Å; F121-S124 PolarHBondContact O-N 3.33Å; S124-G126 VanDerWaalsContact C-N 3.35Å; S124-V127 PolarHBondContact O-N 3.47Å; S124-E128 PolarHBondContact O-N 3.1Å
125E84Confident82.5Confident33 Ų3372.2 Ų72.215%0.15437%0.372CS..Hα-helixtrans-61.5-42.4175.9178.488.9-157.600111.4S66 F121 F123 V127 E128 R129S66-E125 WeakPolarHBondContact CB-OE2 3.15Å; S66-E125 PolarHBondContact OG-OE2 3.33Å; F121-E125 WeakPolarHBondContact O-CB 3.24Å; F121-E125 PolarHBondContact O-N 3.36Å; F123-E125 PolarHBondContact O-N 3.47Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.99Å; E125-E128 PolarHBondContact O-N 2.84Å; E125-R129 WeakPolarHBondContact O-CG 3.18Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.46Å; E125-R129 VanDerWaalsContact OE1-CZ 3.3Å; E125-R129 IonicContact OE1-NE 3.58Å; E125-R129 PolarHBondContact OE1-NE 3.18Å; E125-R129 IonicContact OE1-NH2 3.38Å; E125-R129 PolarHBondContact OE1-NH2 2.97Å
126G85.6Confident81.2Confident0 Ų073.5 Ų73.50%038%0.381CS..Hα-helixtrans-61.2-39.5174.400000112.8I122 F123 S124 A130 P294I122-G126 PolarHBondContact O-N 3.38Å; F123-G126 PolarHBondContact O-N 3.36Å; S124-G126 VanDerWaalsContact C-N 3.35Å; G126-A130 WeakPolarHBondContact O-CB 3.5Å; G126-A130 PolarHBondContact O-N 2.98Å; G126-A130 VanDerWaalsContact O-N 3.1Å; G126-P294 WeakPolarHBondContact O-CB 3.5Å
127V89.1Confident79.7Confident52 Ų5275.6 Ų75.632%0.31539%0.389SS..Hα-helixtrans-66.3-43.4175.11720000111.3F123 S124 E125 A130 L131 M298F123-V127 HydrophobicContact CD1-CG2 4.1Å; F123-V127 HydrophobicContact CE1-CG2 3.71Å; F123-V127 HydrophobicContact CZ-CG2 4.13Å; F123-V127 WeakPolarHBondContact O-CG2 3.29Å; F123-V127 PolarHBondContact O-N 2.58Å; S124-V127 PolarHBondContact O-N 3.47Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.99Å; V127-A130 WeakPolarHBondContact O-CB 3.43Å; V127-A130 PolarHBondContact O-N 2.68Å; V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.77Å; V127-L131 VanDerWaalsContact O-N 3.13Å; V127-M298 HydrophobicContact CG2-SD 3.78Å
128E85.5Confident78.4Confident121 Ų12172.6 Ų72.657%0.56538%0.376SS*.Hα-helixtrans-60.2-47.9177.9-172.2171.8174.900111.3S124 E125 A130 L131 E132S124-E128 PolarHBondContact O-N 3.1Å; E125-E128 PolarHBondContact O-N 2.84Å; E128-A130 PolarHBondContact O-N 3.06Å; E128-L131 PolarHBondContact O-N 2.8Å; E128-L131 VanDerWaalsContact O-N 3.12Å; E128-E132 PolarHBondContact O-N 3.25Å
129R80.8Confident77.4Confident44 Ų4480.1 Ų80.117%0.16641%0.411CS..Hα-helixtrans-64.4-25.5176.3-64.9176.5-165.4159.85.1113.6G63 E125 P134 D293 P294G63-R129 PolarHBondContact O-NH2 2.96Å; E125-R129 WeakPolarHBondContact O-CG 3.18Å; E125-R129 PolarHBondContact O-N 3.37Å; E125-R129 IonicContact OE1-CZ 3.46Å; E125-R129 VanDerWaalsContact OE1-CZ 3.3Å; E125-R129 IonicContact OE1-NE 3.58Å; E125-R129 PolarHBondContact OE1-NE 3.18Å; E125-R129 IonicContact OE1-NH2 3.38Å; E125-R129 PolarHBondContact OE1-NH2 2.97Å; R129-P134 HydrophobicContact CG-CG 4.42Å; R129-D293 IonicContact NH1-OD2 3.5Å; R129-P294 HydrophobicContact CB-CB 4.44Å; R129-P294 HydrophobicContact CB-CG 3.84Å
130A85.6Confident76.5Confident39 Ų3984.2 Ų84.232%0.32243%0.425SS..Hα-helixtrans-75.4-32.4174.800000112.7G126 V127 E128 P294G126-A130 WeakPolarHBondContact O-CB 3.5Å; G126-A130 PolarHBondContact O-N 2.98Å; G126-A130 VanDerWaalsContact O-N 3.1Å; V127-A130 WeakPolarHBondContact O-CB 3.43Å; V127-A130 PolarHBondContact O-N 2.68Å; E128-A130 PolarHBondContact O-N 3.06Å; A130-P294 HydrophobicContact CB-CB 3.8Å; A130-P294 HydrophobicContact CB-CG 4.39Å
131L86.1Confident75.6Confident139 Ų13978.8 Ų78.873%0.72840%0.402SS*.Hα-helixtrans-87.1-42.8-178-68.3174.1000112.3V127 E128V127-L131 HydrophobicContact CG1-CD1 4.03Å; V127-L131 WeakPolarHBondContact O-CG 3.34Å; V127-L131 PolarHBondContact O-N 2.77Å; V127-L131 VanDerWaalsContact O-N 3.13Å; E128-L131 PolarHBondContact O-N 2.8Å; E128-L131 VanDerWaalsContact O-N 3.12Å
132E79.8Confident75.3Confident153 Ų15377 Ų7772%0.71540%0.396SS*.SBendtrans-124.486.4179.3-66.3-173.6-177.300108.7E128 P134E128-E132 PolarHBondContact O-N 3.25Å; E132-P134 WeakPolarHBondContact O-CD 3.37Å
133P70Confident75.3Confident81 Ų8179.1 Ų79.153%0.52641%0.412SS..  trans-60.8113.7180-17.229.3000108.8
134P63.6Low74.9Confident69 Ų6975.6 Ų75.645%0.44840%0.398SS..  trans-71.1148.3174.915.8-7.8000108.9R129 E132 V136R129-P134 HydrophobicContact CG-CG 4.42Å; E132-P134 WeakPolarHBondContact O-CD 3.37Å; P134-V136 HydrophobicContact CB-CG2 3.81Å; P134-V136 HydrophobicContact CG-CG2 3.64Å; P134-V136 WeakPolarHBondContact O-CG2 3.5Å; P134-V136 PolarHBondContact O-N 3.03Å
135D54.8Low74.6Confident168 Ų16873.5 Ų73.590%0.89838%0.383SS*.  trans-69.272.6170.1-77.1-46.4000109.6
136V57.2Low74.8Confident45 Ų4574.6 Ų74.627%0.27339%0.392SS..  trans-84.8125.1-179.6-160.20000108.9P134 H138 L141P134-V136 HydrophobicContact CB-CG2 3.81Å; P134-V136 HydrophobicContact CG-CG2 3.64Å; P134-V136 WeakPolarHBondContact O-CG2 3.5Å; P134-V136 PolarHBondContact O-N 3.03Å; V136-H138 PolarHBondContact O-CE1 3.28Å; V136-H138 PolarHBondContact O-N 3.46Å; V136-H138 PolarHBondContact O-ND1 3.17Å; V136-L141 HydrophobicContact CG1-CD1 3.99Å; V136-L141 HydrophobicContact CG1-CG 4.4Å
137H55.7Low74.9Confident117 Ų11776.4 Ų76.454%0.54241%0.407SS..  trans-66.895.1170-62.2-61.5000109.8E139 R140H137-E139 PolarHBondContact O-N 3.4Å; H137-R140 PolarHBondContact O-N 2.67Å
138H60.2Low74.8Confident50 Ų5074.1 Ų74.123%0.23139%0.394CS..THydrogen-bonded Turntrans-46.5-25.8179.4-57.684000114.8V136 R140 M290V136-H138 PolarHBondContact O-CE1 3.28Å; V136-H138 PolarHBondContact O-N 3.46Å; V136-H138 PolarHBondContact O-ND1 3.17Å; H138-R140 PolarHBondContact O-N 3.13Å; H138-M290 WeakPolarHBondContact CE1-CE 3.49Å; H138-M290 WeakPolarHBondContact NE2-CE 3.43Å
139E62.4Low74.8Confident161 Ų16170 Ų7075%0.75238%0.376SS*.THydrogen-bonded Turntrans-63.4-23.2178.2-59.2-179-178.400113.7H137 P143H137-E139 PolarHBondContact O-N 3.4Å; E139-P143 WeakPolarHBondContact O-CD 3.23Å; E139-P143 WeakPolarHBondContact O-CG 3.34Å
140R68.9Low75.2Confident95 Ų9572.9 Ų72.936%0.35839%0.394SS..THydrogen-bonded Turntrans-91.3-25.1-175.7-59.9-177.4-172.2168.12.6113.6Y55 S59 H137 H138 V144Y55-R140 HydrophobicContact CE1-CB 4.36Å; S59-R140 PolarHBondContact O-NH1 3.43Å; H137-R140 PolarHBondContact O-N 2.67Å; H138-R140 PolarHBondContact O-N 3.13Å; R140-V144 WeakPolarHBondContact O-CG2 3.5Å
141L70.5Confident75.3Confident31 Ų3172.2 Ų72.216%0.16239%0.385CS..Hα-helixtrans-75.9-43.8-178-69168.5000111.6L64 V136 V144 S145L64-L141 HydrophobicContact CD1-CD2 4.32Å; V136-L141 HydrophobicContact CG1-CD1 3.99Å; V136-L141 HydrophobicContact CG1-CG 4.4Å; L141-V144 PolarHBondContact O-N 2.88Å; L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 2.97Å; L141-S145 VanDerWaalsContact O-OG 3.08Å
142L80.3Confident75.3Confident45 Ų4566 Ų6624%0.23635%0.353CS..Hα-helixtrans-60.1-48.6-175.5-166.2165.1000113.2V144 S145 V146 A281 L282L142-V144 VanDerWaalsContact C-N 3.27Å; L142-V144 PolarHBondContact O-N 3.39Å; L142-S145 PolarHBondContact O-N 2.89Å; L142-V146 HydrophobicContact CD2-CG2 3.84Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 3.37Å; L142-A281 HydrophobicContact CB-CB 4.44Å; L142-L282 HydrophobicContact CD1-CD2 4.26Å
143P83.7Confident75.7Confident71 Ų7162.6 Ų62.646%0.46134%0.339SS..Hα-helixtrans-61.9-35.9178.8-22.133.8000113E139 A147E139-P143 WeakPolarHBondContact O-CD 3.23Å; E139-P143 WeakPolarHBondContact O-CG 3.34Å; P143-A147 WeakPolarHBondContact O-CB 3.4Å; P143-A147 PolarHBondContact O-N 2.9Å
144V82.1Confident76.4Confident16 Ų1662.2 Ų62.210%0.09734%0.335CS..Hα-helixtrans-70.5-47.4-179.4176.40000110.3E52 Y55 L64 R140 L141 L142 V146 A147 G148E52-V144 HydrophobicContact CG-CG1 3.84Å; E52-V144 WeakPolarHBondContact OE1-CG1 3.31Å; Y55-V144 HydrophobicContact CD1-CG2 3.72Å; Y55-V144 HydrophobicContact CE1-CG2 3.59Å; L64-V144 HydrophobicContact CD1-CB 4.21Å; L64-V144 HydrophobicContact CD1-CG1 4.11Å; L64-V144 HydrophobicContact CD1-CG2 4Å; R140-V144 WeakPolarHBondContact O-CG2 3.5Å; L141-V144 PolarHBondContact O-N 2.88Å; L142-V144 VanDerWaalsContact C-N 3.27Å; L142-V144 PolarHBondContact O-N 3.39Å; V144-V146 VanDerWaalsContact C-N 3.31Å; V144-V146 PolarHBondContact O-N 2.87Å; V144-A147 WeakPolarHBondContact O-CB 3.32Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-A147 VanDerWaalsContact O-N 3.12Å; V144-G148 PolarHBondContact O-N 3.29Å
145S81.8Confident77.1Confident13 Ų1359 Ų599%0.09132%0.315CS..Hα-helixtrans-63.8-34.3176-49.90000113L141 L142 L149 V277L141-S145 PolarHBondContact O-N 3.41Å; L141-S145 PolarHBondContact O-OG 2.97Å; L141-S145 VanDerWaalsContact O-OG 3.08Å; L142-S145 PolarHBondContact O-N 2.89Å; S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 2.91Å; S145-V277 WeakPolarHBondContact OG-CG1 3.43Å
146V88.1Confident78.3Confident57 Ų5752.5 Ų52.535%0.34528%0.28SS..Hα-helixtrans-67.5-42.1173.1170.70000111.2L142 V144 L149 L150 I278L142-V146 HydrophobicContact CD2-CG2 3.84Å; L142-V146 VanDerWaalsContact O-CG2 3.3Å; L142-V146 WeakPolarHBondContact O-CG2 3.46Å; L142-V146 PolarHBondContact O-N 3.37Å; V144-V146 VanDerWaalsContact C-N 3.31Å; V144-V146 PolarHBondContact O-N 2.87Å; V146-L149 PolarHBondContact O-N 3.3Å; V146-L150 WeakPolarHBondContact O-CG 3.07Å; V146-L150 PolarHBondContact O-N 2.92Å; V146-I278 HydrophobicContact CG2-CD1 4.02Å; V146-I278 HydrophobicContact CG2-CG1 4.27Å
147A87.6Confident79.5Confident38 Ų3856 Ų5631%0.31429%0.291SS..Hα-helixtrans-63.5-43.4175.600000111.7F48 P143 V144 L149 L150 V151F48-A147 HydrophobicContact CE2-CB 3.85Å; F48-A147 HydrophobicContact CZ-CB 4.26Å; P143-A147 WeakPolarHBondContact O-CB 3.4Å; P143-A147 PolarHBondContact O-N 2.9Å; V144-A147 WeakPolarHBondContact O-CB 3.32Å; V144-A147 PolarHBondContact O-N 2.97Å; V144-A147 VanDerWaalsContact O-N 3.12Å; A147-L149 PolarHBondContact O-N 3.27Å; A147-L150 PolarHBondContact O-N 2.88Å; A147-V151 WeakPolarHBondContact O-CG2 3.29Å; A147-V151 PolarHBondContact O-N 3.27Å
148G85.5Confident80.3Confident4 Ų452.7 Ų52.74%0.04128%0.279CS..Hα-helixtrans-61.9-41.2175.200000112.5F48 V144 L150 V151 N152F48-G148 VanDerWaalsContact CE1-CA 3.44Å; F48-G148 VanDerWaalsContact CZ-N 3.27Å; V144-G148 PolarHBondContact O-N 3.29Å; G148-L150 PolarHBondContact O-N 3.39Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; G148-N152 WeakPolarHBondContact O-CB 3.41Å; G148-N152 PolarHBondContact O-N 3.5Å; G148-N152 PolarHBondContact O-ND2 3.29Å
149L86.9Confident80.7Confident34 Ų3451.8 Ų51.818%0.17828%0.275CS..Hα-helixtrans-60-44173.5-178.363.8000112S145 V146 A147 N152 L153 T271 I275 I278S145-L149 WeakPolarHBondContact O-CB 3.43Å; S145-L149 PolarHBondContact O-N 2.91Å; V146-L149 PolarHBondContact O-N 3.3Å; A147-L149 PolarHBondContact O-N 3.27Å; L149-N152 PolarHBondContact O-N 2.99Å; L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.45Å; L149-T271 HydrophobicContact CD1-CG2 3.71Å; L149-I275 HydrophobicContact CD1-CD1 4.39Å; L149-I275 HydrophobicContact CD1-CG1 3.9Å; L149-I275 HydrophobicContact CD2-CG1 4.42Å; L149-I278 HydrophobicContact CB-CD1 4.27Å; L149-I278 HydrophobicContact CD2-CD1 3.78Å
150L89.1Confident80.9Confident105 Ų10550 Ų5055%0.5527%0.267SS..Hα-helixtrans-63.6-42.7177.7-71173.8000111.7V146 A147 G148 L153 V154V146-L150 WeakPolarHBondContact O-CG 3.07Å; V146-L150 PolarHBondContact O-N 2.92Å; A147-L150 PolarHBondContact O-N 2.88Å; G148-L150 PolarHBondContact O-N 3.39Å; L150-L153 PolarHBondContact O-N 3.42Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.36Å
151V87.7Confident80.4Confident24 Ų2451.5 Ų51.515%0.14528%0.277CS..Hα-helixtrans-56.8-49.8174.5156.30000110.9L44 N45 F48 A147 G148 L153 V154 G155L44-V151 HydrophobicContact CD2-CB 3.87Å; L44-V151 HydrophobicContact CD2-CG1 3.23Å; L44-V151 HydrophobicContact CD2-CG2 3.78Å; N45-V151 WeakPolarHBondContact OD1-CG1 3.46Å; F48-V151 HydrophobicContact CB-CG1 4.28Å; F48-V151 HydrophobicContact CB-CG2 4.25Å; F48-V151 HydrophobicContact CD1-CG1 4.33Å; F48-V151 HydrophobicContact CD2-CG2 3.86Å; F48-V151 HydrophobicContact CE2-CG2 4.39Å; F48-V151 HydrophobicContact CG-CB 4.47Å; F48-V151 HydrophobicContact CG-CG1 4.28Å; F48-V151 HydrophobicContact CG-CG2 3.96Å; A147-V151 WeakPolarHBondContact O-CG2 3.29Å; A147-V151 PolarHBondContact O-N 3.27Å; G148-V151 WeakPolarHBondContact O-CB 3.44Å; G148-V151 PolarHBondContact O-N 2.92Å; V151-L153 PolarHBondContact O-N 3.02Å; V151-V154 PolarHBondContact O-N 2.9Å; V151-G155 PolarHBondContact O-N 3.14Å
152N86.6Confident79.3Confident8 Ų850.9 Ų50.94%0.04328%0.279CS..Hα-helixtrans-65-39.2178.9-74.9-29.3000112.6G148 L149 G155 I156 T271G148-N152 WeakPolarHBondContact O-CB 3.41Å; G148-N152 PolarHBondContact O-N 3.5Å; G148-N152 PolarHBondContact O-ND2 3.29Å; L149-N152 PolarHBondContact O-N 2.99Å; N152-G155 WeakPolarHBondContact O-CA 3.49Å; N152-G155 PolarHBondContact O-N 3.04Å; N152-G155 VanDerWaalsContact O-N 3.14Å; N152-I156 WeakPolarHBondContact O-CG1 3.45Å; N152-I156 PolarHBondContact O-N 3.46Å; N152-T271 WeakPolarHBondContact CB-OG1 3.34Å
153L87Confident77.7Confident83 Ų8351.2 Ų51.244%0.43529%0.293SS..Hα-helixtrans-63.8-41174.8-76172.7000112.7L149 L150 V151 G155 I156 F157L149-L153 HydrophobicContact CD1-CG 4.44Å; L149-L153 HydrophobicContact CG-CD1 4.13Å; L149-L153 HydrophobicContact CG-CG 4.49Å; L149-L153 WeakPolarHBondContact O-CB 3.49Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 3.42Å; V151-L153 PolarHBondContact O-N 3.02Å; L153-G155 VanDerWaalsContact C-N 3.25Å; L153-G155 PolarHBondContact O-N 3.27Å; L153-I156 PolarHBondContact O-N 2.94Å; L153-F157 WeakPolarHBondContact O-CB 3.42Å; L153-F157 PolarHBondContact O-N 3.31Å
154V85.1Confident75.6Confident72 Ų7254.9 Ų54.944%0.43630%0.304SS..Hα-helixtrans-59.9-41.4172.4170.30000109.9L44 L150 V151 F157 V158L44-V154 HydrophobicContact CD1-CG1 3.81Å; L150-V154 WeakPolarHBondContact O-CG2 3.47Å; L150-V154 PolarHBondContact O-N 3.36Å; V151-V154 PolarHBondContact O-N 2.9Å; V154-F157 PolarHBondContact O-N 3.48Å; V154-V158 HydrophobicContact CG1-CG2 4.32Å; V154-V158 WeakPolarHBondContact O-CB 3.47Å; V154-V158 VanDerWaalsContact O-CG2 3.24Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.28Å
155G77.5Confident73.3Confident2 Ų258 Ų582%0.02134%0.339CS..Hα-helixtrans-54.3-56.3172.300000112.8F41 V151 N152 L153 F157 V158 F159F41-G155 VanDerWaalsContact CD2-CA 3.42Å; V151-G155 PolarHBondContact O-N 3.14Å; N152-G155 WeakPolarHBondContact O-CA 3.49Å; N152-G155 PolarHBondContact O-N 3.04Å; N152-G155 VanDerWaalsContact O-N 3.14Å; L153-G155 VanDerWaalsContact C-N 3.25Å; L153-G155 PolarHBondContact O-N 3.27Å; G155-F157 VanDerWaalsContact C-N 3.3Å; G155-F157 PolarHBondContact O-N 3.28Å; G155-V158 PolarHBondContact O-N 2.94Å; G155-F159 WeakPolarHBondContact O-CD2 3.08Å; G155-F159 PolarHBondContact O-N 3.02Å
156I81.5Confident71.2Confident31 Ų3163.8 Ų63.816%0.15936%0.364CS..Hα-helixtrans-56.1-45.3178.7-64.5173.4000111.1N152 L153 V158 F159 Q160 I267 T271N152-I156 WeakPolarHBondContact O-CG1 3.45Å; N152-I156 PolarHBondContact O-N 3.46Å; L153-I156 PolarHBondContact O-N 2.94Å; I156-V158 PolarHBondContact O-N 3.39Å; I156-F159 PolarHBondContact O-N 3.34Å; I156-Q160 HydrophobicContact CG2-CG 4.33Å; I156-Q160 PolarHBondContact O-N 3.37Å; I156-I267 HydrophobicContact CD1-CG2 4.13Å; I156-I267 HydrophobicContact CG1-CG2 3.54Å; I156-T271 HydrophobicContact CD1-CG2 4.37Å
157F80.9Confident68.5Low119 Ų11966.7 Ų66.752%0.52239%0.387SS..Hα-helixtrans-61.8-43.2-179.7-177.2-93.3000112.3L153 V154 G155 F159 Q160 H161L153-F157 WeakPolarHBondContact O-CB 3.42Å; L153-F157 PolarHBondContact O-N 3.31Å; V154-F157 PolarHBondContact O-N 3.48Å; G155-F157 VanDerWaalsContact C-N 3.3Å; G155-F157 PolarHBondContact O-N 3.28Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.91Å; F157-Q160 PolarHBondContact O-N 2.87Å; F157-H161 AromaticContact CD2-CE1 3.58Å; F157-H161 AromaticContact CD2-ND1 3.51Å; F157-H161 AromaticContact CE2-CE1 3.05Å; F157-H161 WeakPolarHBondContact CE2-CE1 2.98Å; F157-H161 AromaticContact CE2-ND1 3.31Å; F157-H161 VanDerWaalsContact CE2-ND1 3.31Å; F157-H161 WeakPolarHBondContact CE2-ND1 3.19Å; F157-H161 AromaticContact CE2-NE2 3.62Å; F157-H161 AromaticContact CG-ND1 3.99Å; F157-H161 AromaticContact CZ-CD2 3.9Å; F157-H161 AromaticContact CZ-CE1 3.55Å; F157-H161 AromaticContact CZ-CG 3.82Å; F157-H161 AromaticContact CZ-ND1 3.58Å; F157-H161 AromaticContact CZ-NE2 3.74Å; F157-H161 WeakPolarHBondContact O-CB 3.44Å; F157-H161 PolarHBondContact O-N 3.28Å; F157-H161 PolarHBondContact O-ND1 2.92Å
158V73.9Confident66.3Low48 Ų4873.7 Ų73.729%0.29141%0.413SS..Hα-helixtrans-63.2-37.1177.1169.20000111.5N37 V154 G155 I156 G162N37-V158 HydrophobicContact CB-CG1 4.03Å; N37-V158 PolarHBondContact ND2-O 2.96Å; V154-V158 HydrophobicContact CG1-CG2 4.32Å; V154-V158 WeakPolarHBondContact O-CB 3.47Å; V154-V158 VanDerWaalsContact O-CG2 3.24Å; V154-V158 WeakPolarHBondContact O-CG2 3.43Å; V154-V158 PolarHBondContact O-N 3.28Å; G155-V158 PolarHBondContact O-N 2.94Å; I156-V158 PolarHBondContact O-N 3.39Å; V158-G162 PolarHBondContact O-N 2.98Å
159F68.3Low63.9Low30 Ų3076.6 Ų76.613%0.13244%0.442CS..Hα-helixtrans-74.4-39.7176.2-79.3-71.1000113.1L38 F41 G155 I156 F157 L260 V263 I267L38-F159 HydrophobicContact CB-CE1 4.34Å; L38-F159 HydrophobicContact CB-CZ 4.17Å; L38-F159 HydrophobicContact CG-CZ 4.41Å; F41-F159 HydrophobicContact CB-CE2 3.85Å; F41-F159 HydrophobicContact CB-CZ 4.22Å; F41-F159 AromaticContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CE2 3.92Å; F41-F159 HydrophobicContact CD1-CZ 4.42Å; F41-F159 HydrophobicContact CD2-CE2 4.29Å; F41-F159 AromaticContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CE2 3.72Å; F41-F159 HydrophobicContact CG-CZ 4.41Å; G155-F159 WeakPolarHBondContact O-CD2 3.08Å; G155-F159 PolarHBondContact O-N 3.02Å; I156-F159 PolarHBondContact O-N 3.34Å; F157-F159 VanDerWaalsContact C-N 3.31Å; F157-F159 PolarHBondContact O-N 2.91Å; F159-L260 HydrophobicContact CD1-CD1 3.67Å; F159-L260 HydrophobicContact CE1-CD1 3.38Å; F159-L260 HydrophobicContact CZ-CD1 4.37Å; F159-V263 HydrophobicContact CE2-CG1 4.39Å; F159-V263 HydrophobicContact CZ-CG1 4.16Å; F159-I267 HydrophobicContact CD2-CD1 3.78Å; F159-I267 HydrophobicContact CE2-CD1 3.58Å
160Q66.6Low61.7Low125 Ų12583.3 Ų83.358%0.58448%0.478SS*.Hα-helixtrans-70.8-42.3178.9-78.7-177.6-29.200113I156 F157 G162 G163I156-Q160 HydrophobicContact CG2-CG 4.33Å; I156-Q160 PolarHBondContact O-N 3.37Å; F157-Q160 PolarHBondContact O-N 2.87Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.29Å; Q160-G163 PolarHBondContact O-N 3.44Å
161H56.9Low59.1Low126 Ų12681.6 Ų81.658%0.58349%0.487SS*.Hα-helixtrans-79.2-11.8178.8-76.270.6000113.4F157F157-H161 AromaticContact CD2-CE1 3.58Å; F157-H161 AromaticContact CD2-ND1 3.51Å; F157-H161 AromaticContact CE2-CE1 3.05Å; F157-H161 WeakPolarHBondContact CE2-CE1 2.98Å; F157-H161 AromaticContact CE2-ND1 3.31Å; F157-H161 VanDerWaalsContact CE2-ND1 3.31Å; F157-H161 WeakPolarHBondContact CE2-ND1 3.19Å; F157-H161 AromaticContact CE2-NE2 3.62Å; F157-H161 AromaticContact CG-ND1 3.99Å; F157-H161 AromaticContact CZ-CD2 3.9Å; F157-H161 AromaticContact CZ-CE1 3.55Å; F157-H161 AromaticContact CZ-CG 3.82Å; F157-H161 AromaticContact CZ-ND1 3.58Å; F157-H161 AromaticContact CZ-NE2 3.74Å; F157-H161 WeakPolarHBondContact O-CB 3.44Å; F157-H161 PolarHBondContact O-N 3.28Å; F157-H161 PolarHBondContact O-ND1 2.92Å
162G48.3Very low56.6Low18 Ų1884 Ų8419%0.18652%0.517CS..Hα-helixtrans-73-26.7172.300000113.8K33 V158 Q160K33-G162 WeakPolarHBondContact CE-O 2.92Å; K33-G162 PolarHBondContact NZ-O 3.44Å; V158-G162 PolarHBondContact O-N 2.98Å; Q160-G162 VanDerWaalsContact C-N 3.29Å; Q160-G162 PolarHBondContact O-N 3.29Å
163G46.9Very low54.1Low52 Ų5292.2 Ų92.254%0.53655%0.554SS.*Hα-helixtrans-114.5-3.8-164.500000117.8Q160Q160-G163 PolarHBondContact O-N 3.44Å
164H40Very low51.5Low148 Ų14891.5 Ų91.569%0.68557%0.566SS**  trans-132.493.6-177.1-8164.7000112H166H164-H166 AromaticContact CD2-CD2 3.47Å; H164-H166 PolarHBondContact CD2-CD2 2.87Å; H164-H166 VanDerWaalsContact CD2-CD2 3.47Å
165G32.3Very low49Very low81 Ų8196 Ų9684%0.83558%0.583SS**  trans-98.870.4155.700000108.9
166H37.7Very low46.8Very low134 Ų134101.1 Ų101.162%0.6262%0.618SS**  trans-107105.8169.3-66.5-68.7000108.6H164 H168H164-H166 AromaticContact CD2-CD2 3.47Å; H164-H166 PolarHBondContact CD2-CD2 2.87Å; H164-H166 VanDerWaalsContact CD2-CD2 3.47Å; H166-H168 PolarHBondContact O-N 2.99Å; H166-H168 VanDerWaalsContact O-N 3.16Å
167S32.8Very low44.7Very low119 Ų119108.2 Ų108.283%0.83265%0.65SS**  trans-57.3108.4162.6168.10000108.4G169S167-G169 PolarHBondContact O-N 3.33Å
168H40.8Very low42.3Very low185 Ų185108.1 Ų108.186%0.85666%0.664SS**  trans-7398.1165.3-78.4-77.4000108.5H166H166-H168 PolarHBondContact O-N 2.99Å; H166-H168 VanDerWaalsContact O-N 3.16Å
169G35.8Very low40.3Very low64 Ų64114.3 Ų114.366%0.6669%0.694SS**  trans-71.6129.6154.700000109S167S167-G169 PolarHBondContact O-N 3.33Å
170D40.6Very low38.3Very low175 Ų175122 Ų12294%0.93673%0.728SS**  trans-52.8145.1175.8-167.622.9000113.1
171G34Very low36.7Very low70 Ų70123 Ų12372%0.72274%0.737SS**  trans144.372.1173.600000115.2H173G171-H173 PolarHBondContact O-N 3.43Å
172G35.7Very low35.3Very low75 Ų75119.4 Ų119.477%0.77374%0.735SS**  trans-71121.5172.400000113
173H32.7Very low34.5Very low180 Ų180124.5 Ų124.583%0.83377%0.768SS**  trans-137.2106.6155-96.4-57.7000109G171G171-H173 PolarHBondContact O-N 3.43Å
174G33.8Very low33.7Very low67 Ų67129.5 Ų129.569%0.69178%0.782SS**  trans-93.2137.4174.700000111.2
175H32.2Very low33.3Very low168 Ų168127.6 Ų127.678%0.77879%0.785SS**  trans-138.8115.1157.8-65.4-62.1000110
176S32.2Very low33.3Very low109 Ų109133 Ų13376%0.76279%0.788SS**  trans-90.6135.2171.549.50000110.1
177H35.5Very low33Very low180 Ų180129.9 Ų129.983%0.83379%0.792SS**  trans-134.8110.6156.5-76.9-74.5000111.2
178S31.6Very low33.2Very low117 Ų117133.9 Ų133.982%0.81880%0.797SS**  trans-77.9127.1162.649.10000109.8
179L30.9Very low32.8Very low177 Ų177128.8 Ų128.893%0.92780%0.795SS**  trans-96.1106.9170.3-78.8163.5000109.8
180F26.7Very low32.6Very low191 Ų191129.3 Ų129.384%0.83880%0.8SS**  trans-145.8111.8151.8-155.1-104000111.1
181N32.7Very low32.3Very low146 Ų146130.6 Ų130.678%0.78180%0.8SS**  trans82.6124141-150.424000121.8
182G28.5Very low32.2Very low52 Ų52130.8 Ų130.854%0.53680%0.802SS.*  129.4109.212700000118.3
183S32Very low32.1Very low125 Ų125130.7 Ų130.787%0.87480%0.8SS**  trans72.9153.9146.3770000118.6
184L30.2Very low32.2Very low157 Ų157131.7 Ų131.782%0.82281%0.805SS**  cis-178.7148.5-25.8-168.678.1000104
185S31.3Very low32.2Very low108 Ų108132 Ų13276%0.75581%0.808SS**  trans72.1118.2164.569.10000118.5
186H32.3Very low32.3Very low195 Ų195127.3 Ų127.390%0.90381%0.805SS**  77.9100.166.8-96.45000115.6
187G31.5Very low32.4Very low68 Ų68131.9 Ų131.970%0.70181%0.814SS**  60.6118.4113.700000119.9
188H36.4Very low32.6Very low203 Ų203127 Ų12794%0.9481%0.813SS**  trans-152.8132.5144.6-104.5-76.4000110.9
189G31.1Very low32.8Very low78 Ų78125 Ų12580%0.80481%0.81SS**  trans-93.1177.3167.600000112.7
190G31.7Very low33Very low74 Ų74125.9 Ų125.976%0.76381%0.809SS**  trans139.7108.8161.400000115.8
191H34.2Very low33.2Very low203 Ų203119.6 Ų119.694%0.9480%0.798SS**  trans37.7134.1137-94.2-88.2000122.7
192G33.6Very low33.6Very low74 Ų74121.7 Ų121.776%0.76380%0.803SS**  122.1107.5125.300000118.2
193G32.3Very low34Very low72 Ų72123.7 Ų123.774%0.74281%0.809SS**  69.6122.3118.500000121.7
194H36Very low34.6Very low202 Ų202126.4 Ų126.494%0.93581%0.807SS**  trans71.7120.4145.4-85.1-82.9000121.1
195G33.5Very low35Very low74 Ų74127 Ų12776%0.76381%0.811SS**  114.1115.811100000117.6
196G34.6Very low35.2Very low69 Ų69124.5 Ų124.571%0.71180%0.803SS**  97.6106.8125.700000119.1
197H34.5Very low35.7Very low205 Ų205124.6 Ų124.695%0.94980%0.803SS**  57.8137.2129.6-81.3-80.5000122.8
198G37.7Very low35.9Very low78 Ų78124.1 Ų124.180%0.80480%0.799SS**  trans103.9130.3153.300000111.6
199G36.3Very low36.2Very low74 Ų74123 Ų12376%0.76379%0.794SS**  cis165.4154.314.300000106.6
200H36.2Very low36.5Very low195 Ų195123.5 Ų123.590%0.90379%0.785SS**  trans-56.2164-172.4-70.5-79.7000118.2
201G31.3Very low37Very low59 Ų59128 Ų12861%0.60879%0.786SS**  trans100.8132.6149.700000113.4
202H40.1Very low37.2Very low191 Ų191125.7 Ų125.788%0.88478%0.78SS**  cis-155.5156.742.3-71.5-81.9000113.7
203S36.9Very low37.3Very low94 Ų94125.5 Ų125.566%0.65778%0.778SS**  trans-85151.3175.543.20000114.5
204H45.5Very low37.7Very low181 Ų181131.7 Ų131.784%0.83879%0.787SS**  trans49.7122.1142.8-59.5-61.4000122.5
205D37.7Very low37.8Very low169 Ų169125.8 Ų125.890%0.90478%0.781SS**  -149.2127.3128.3-90.3-40.4000104.9
206G36.2Very low37.8Very low57 Ų57125.5 Ų125.559%0.58878%0.778SS**  cis106.191.42700000108.5
207H42.1Very low38.1Very low196 Ų196131.4 Ų131.491%0.90779%0.787SS**  trans-173.1127.7144.1-92-55.7000111.9
208G36.1Very low38.1Very low59 Ų59124.6 Ų124.661%0.60877%0.772SS**  trans-70.4173.2173.500000113
209H42.6Very low38.2Very low179 Ų179130.1 Ų130.183%0.82978%0.776SS**  -156.7147.763.8-73.8-84.8000114.1
210S37.3Very low38Very low89 Ų89131.1 Ų131.162%0.62277%0.771SS**  trans-33.5169148.340.90000118.1
211H42.2Very low38.2Very low168 Ų168129.3 Ų129.378%0.77876%0.763SS**  cis-164.4153.1-7.4-98.4-68.4000104
212D38.1Very low38.4Very low154 Ų154133.3 Ų133.382%0.82477%0.77SS**  169.6128.685.8-91.5-47.1000108.3
213G36.2Very low38.3Very low70 Ų70132.8 Ų132.872%0.72277%0.766SS**  97.3128.9111.900000111.8
214H40.6Very low38.3Very low202 Ų202137.7 Ų137.794%0.93578%0.778SS**  cis-167.1152.329.2-112.2-86.8000110.6
215G37.1Very low37.9Very low78 Ų78132.7 Ų132.780%0.80478%0.776SS**  trans82.4113.3151.500000115.8
216G33.6Very low37.7Very low68 Ų68131.2 Ų131.270%0.70177%0.768SS**  cis113102.229.200000108.3
217H41.4Very low37.9Very low194 Ų194136.9 Ų136.990%0.89878%0.778SS**  trans-179.7116142.3-93.9-58.1000109.1
218G34Very low37.5Very low61 Ų61131.1 Ų131.163%0.62977%0.772SS**  trans-99.4159170.600000111.4
219H40Very low37.4Very low195 Ų195137.5 Ų137.590%0.90379%0.786SS**  trans-145.4132149.1-78.7-65.5000109.3
220S33.2Very low37Very low94 Ų94132.7 Ų132.766%0.65779%0.785SS**  trans-105174.8177.349.10000111
221H39.2Very low37Very low157 Ų157137.3 Ų137.373%0.72780%0.796SS**  trans97.9133.2170.4-63.6-73.9000114.8
222D35.9Very low36.6Very low143 Ų143138.4 Ų138.477%0.76580%0.801SS**  cis-159.6165.97.5-104.5-33.8000111.2
223K39.1Very low36.4Very low180 Ų180135 Ų13578%0.78380%0.802SS**  trans-65.8150-177.9-65.9171.7174.31730114.5
224H36.6Very low36.3Very low197 Ų197139.8 Ų139.891%0.91281%0.806SS**  164.5138.6113.8-95.3-80.3000111.6
225G36.5Very low35.9Very low77 Ų77133.7 Ų133.779%0.79480%0.797SS**  trans137.291.4159.200000115.2
226D34.2Very low35.7Very low138 Ų138138.4 Ų138.474%0.73880%0.798SS**  trans-60.1147.1163.1179.855.1000111.5
227H40.4Very low35.7Very low175 Ų175138.5 Ų138.581%0.8180%0.799SS**  trans165.9120.2139.9-80.2-29000113.4
228G32.5Very low35.2Very low75 Ų75138.2 Ų138.277%0.77380%0.797SS**  81.8114.8118.100000120.3
229H35.4Very low35Very low194 Ų194138.8 Ų138.890%0.89880%0.804SS**  trans-57.8154.4175.5-63.4-86.2000117
230G33.8Very low34.4Very low78 Ų78132.8 Ų132.880%0.80480%0.795SS**  trans-175.9107.1156.600000111.8
231H36.9Very low34.2Very low186 Ų186136.1 Ų136.186%0.86180%0.8SS**  trans-68.3134.5174-78.4-96.7000111.1
232E33.4Very low33.9Very low190 Ų190136.9 Ų136.989%0.88880%0.803SS**  trans-162.1134147.3-114.1167.2-176.200110.3
233G35.2Very low33.5Very low82 Ų82135.4 Ų135.485%0.84580%0.796SS**  trans-70130.5-164.800000114
234H33.8Very low32.9Very low172 Ų172132.3 Ų132.380%0.79680%0.795SS**  trans-106.3110.2165.6-98.6-61.3000110.1H236H234-H236 PolarHBondContact O-N 2.98Å
235G31.3Very low32.4Very low73 Ų73130.9 Ų130.975%0.75379%0.789SS**  trans-69.4121.8162.800000109.6G237G235-G237 PolarHBondContact O-N 3.08Å; G235-G237 VanDerWaalsContact O-N 3.14Å
236H33.5Very low32Very low177 Ų177133.6 Ų133.682%0.81979%0.785SS**  trans-78.391.9170.3-73-75.2000109.2H234H234-H236 PolarHBondContact O-N 2.98Å
237G33.2Very low31.6Very low70 Ų70134 Ų13472%0.72278%0.782SS**  trans-74.7116.3158.700000108.4G235 G239G235-G237 PolarHBondContact O-N 3.08Å; G235-G237 VanDerWaalsContact O-N 3.14Å; G237-G239 PolarHBondContact O-N 3.41Å
238H32.1Very low31.3Very low188 Ų188132.5 Ų132.587%0.8778%0.78SS**  trans-63.497.3168.6-76.6-87.1000108.7G240H238-G240 PolarHBondContact O-N 2.94Å
239G28.3Very low31.3Very low74 Ų74132.4 Ų132.476%0.76376%0.759SS**  trans-67.697.5163.200000108.2G237 H241G237-G239 PolarHBondContact O-N 3.41Å; G239-H241 PolarHBondContact O-N 3.29Å; G239-H241 VanDerWaalsContact O-N 3.16Å
240G28.2Very low31.3Very low69 Ų69132.6 Ų132.671%0.71175%0.752SS**  trans-57.6115.4162.300000107.7H238 E242H238-G240 PolarHBondContact O-N 2.94Å; G240-E242 PolarHBondContact O-N 2.94Å
241H29.1Very low31.4Very low164 Ų164133.1 Ų133.176%0.75974%0.741SS**  trans-67.286.6165.5-151.9-92.3000105.8G239 D243G239-H241 PolarHBondContact O-N 3.29Å; G239-H241 VanDerWaalsContact O-N 3.16Å; H241-D243 VanDerWaalsContact C-N 3.3Å; H241-D243 IonicContact CE1-OD1 3.31Å; H241-D243 PolarHBondContact CE1-OD1 3.22Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact ND1-OD1 2.86Å; H241-D243 PolarHBondContact ND1-OD1 3.49Å; H241-D243 PolarHBondContact O-N 3.33Å; H241-D243 VanDerWaalsContact O-N 3.08Å
242E32.6Very low31.6Very low172 Ų172125.4 Ų125.480%0.80471%0.712SS**  trans-66.4102.1158.5-74.3-172.8139.500105.2G240 C244G240-E242 PolarHBondContact O-N 2.94Å; E242-C244 PolarHBondContact O-N 3.04Å
243D27.7Very low31.9Very low113 Ų113120.3 Ų120.360%0.60469%0.688SS**  trans-58.892.1164.5-74.4-38.5000107.3H241 H245H241-D243 VanDerWaalsContact C-N 3.3Å; H241-D243 IonicContact CE1-OD1 3.31Å; H241-D243 PolarHBondContact CE1-OD1 3.22Å; H241-D243 VanDerWaalsContact CE1-OD1 3.31Å; H241-D243 IonicContact ND1-OD1 2.86Å; H241-D243 PolarHBondContact ND1-OD1 3.49Å; H241-D243 PolarHBondContact O-N 3.33Å; H241-D243 VanDerWaalsContact O-N 3.08Å; D243-H245 PolarHBondContact O-N 3.24Å
244C26Very low32.3Very low115 Ų115117.2 Ų117.278%0.77766%0.656SS**  trans-62.887.1169.5-780000108.1E242 N246E242-C244 PolarHBondContact O-N 3.04Å; C244-N246 PolarHBondContact O-N 3.43Å
245H27.3Very low33Very low166 Ų166109.3 Ų109.377%0.76962%0.62SS**  trans-63.485155.4-73.2-79.9000107.5D243 E247D243-H245 PolarHBondContact O-N 3.24Å; H245-E247 PolarHBondContact O-N 3.1Å
246N26.1Very low34Very low135 Ų135107.4 Ų107.472%0.72260%0.595SS**  trans-72.573.7166.9-163.39.2000107.5C244 L248C244-N246 PolarHBondContact O-N 3.43Å; N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 3.37Å
247E27.6Very low35.2Very low145 Ų145104.3 Ų104.368%0.67858%0.579SS**  trans-63.5100.4161.5-70.8-122.8116.300106.2H245 Q249H245-E247 PolarHBondContact O-N 3.1Å; E247-Q249 PolarHBondContact O-N 3.47Å
248L32.6Very low36.6Very low145 Ų145103.8 Ų103.876%0.75956%0.558SS**  trans-59.484.3164.2-101.7108.2000107.9N246 R250N246-L248 VanDerWaalsContact C-N 3.31Å; N246-L248 PolarHBondContact O-N 3.37Å; L248-R250 PolarHBondContact O-N 2.86Å
249Q33.5Very low38.2Very low72 Ų7296.4 Ų96.434%0.33653%0.525SS..  trans-62.4106.3178.5-161.492.77200108E247 E253 R391E247-Q249 PolarHBondContact O-N 3.47Å; Q249-E253 HydrophobicContact CG-CB 4.07Å; Q249-E253 PolarHBondContact NE2-OE1 3.39Å; Q249-E253 PolarHBondContact NE2-OE2 3.39Å; Q249-R391 PolarHBondContact O-NH2 3.1Å
250R35Very low40Very low198 Ų19895.3 Ų95.375%0.74750%0.501SS*.  trans-61.4147.1-175.6-58.9178.785-167.56.7108.5L248 G252 E253L248-R250 PolarHBondContact O-N 2.86Å; R250-G252 PolarHBondContact O-N 2.96Å; R250-E253 PolarHBondContact O-N 3.17Å
251P35.7Very low41.8Very low89 Ų8998.1 Ų98.158%0.57850%0.496SS*.THydrogen-bonded Turntrans-65.427.1-170.6-17.330.6000117.7
252G40.6Very low43.7Very low24 Ų2491.4 Ų91.425%0.24747%0.471CS..THydrogen-bonded Turntrans-147.47.4177.400000114.8R250 S256R250-G252 PolarHBondContact O-N 2.96Å; G252-S256 PolarHBondContact O-OG 3.18Å
253E40.4Very low45.6Very low84 Ų8483.3 Ų83.339%0.39343%0.433SS..Hα-helixtrans-79.7-33.2179.5-108.5176.3130.300113.5Q249 R250 K257Q249-E253 HydrophobicContact CG-CB 4.07Å; Q249-E253 PolarHBondContact NE2-OE1 3.39Å; Q249-E253 PolarHBondContact NE2-OE2 3.39Å; R250-E253 PolarHBondContact O-N 3.17Å; E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 2.96Å
254G43.3Very low47.6Very low16 Ų1681.2 Ų81.217%0.16542%0.422CS..Hα-helixtrans-66.2-40.8178.400000113.3K257 Q258G254-K257 WeakPolarHBondContact O-CB 3.33Å; G254-K257 PolarHBondContact O-N 2.94Å; G254-Q258 PolarHBondContact O-N 3.41Å
255S48.2Very low49.7Very low6 Ų680.7 Ų80.74%0.04241%0.411CS..Hα-helixtrans-80.7-30.1-178.9-160.30000113.7E104 K257 Q258 I259 T357E104-S255 WeakPolarHBondContact OE2-CB 3.5Å; E104-S255 PolarHBondContact OE2-OG 2.89Å; S255-K257 PolarHBondContact O-N 2.85Å; S255-Q258 PolarHBondContact O-N 3.18Å; S255-I259 PolarHBondContact O-N 2.94Å; S255-T357 PolarHBondContact OG-OG1 2.95Å
256S53.8Low51.9Low34 Ų3474 Ų7424%0.23838%0.38CS..Hα-helixtrans-57.2-33.4168.7-64.20000111.3G252 L260G252-S256 PolarHBondContact O-OG 3.18Å; S256-L260 WeakPolarHBondContact O-CB 3.38Å; S256-L260 PolarHBondContact O-N 3.33Å; S256-L260 VanDerWaalsContact O-N 3.1Å
257K58.3Low54.3Low111 Ų11167.6 Ų67.648%0.48335%0.345SS..Hα-helixtrans-68.5-39.1172.8-65.3171.6-176.4176.20112.1E253 G254 S255 L260 Q261E253-K257 WeakPolarHBondContact O-CG 3.24Å; E253-K257 PolarHBondContact O-N 2.96Å; G254-K257 WeakPolarHBondContact O-CB 3.33Å; G254-K257 PolarHBondContact O-N 2.94Å; S255-K257 PolarHBondContact O-N 2.85Å; K257-L260 PolarHBondContact O-N 3.05Å; K257-Q261 VanDerWaalsContact O-CB 3.24Å; K257-Q261 WeakPolarHBondContact O-CB 3.42Å; K257-Q261 WeakPolarHBondContact O-CG 3.49Å; K257-Q261 PolarHBondContact O-N 3.43Å
258Q61.4Low56.7Low59 Ų5964.1 Ų64.128%0.27633%0.331SS..Hα-helixtrans-68.5-45178.6-76.5-171.9-29.100113.1G254 S255 L260 Q261 G262 E314 T357G254-Q258 PolarHBondContact O-N 3.41Å; S255-Q258 PolarHBondContact O-N 3.18Å; Q258-L260 VanDerWaalsContact C-N 3.3Å; Q258-L260 PolarHBondContact O-N 3.39Å; Q258-Q261 PolarHBondContact O-N 3.46Å; Q258-G262 PolarHBondContact O-N 3.46Å; Q258-E314 PolarHBondContact NE2-OE1 3.4Å; Q258-T357 HydrophobicContact CG-CG2 3.89Å; Q258-T357 VanDerWaalsContact NE2-CG2 3.34Å; Q258-T357 VanDerWaalsContact OE1-CG2 3.26Å; Q258-T357 PolarHBondContact OE1-OG1 2.95Å
259I66.6Low58.9Low34 Ų3458.6 Ų58.617%0.17431%0.306CS..Hα-helixtrans-61.1-45.4174.8-64.8173.9000109.2E104 S255 G262 V263E104-I259 HydrophobicContact CB-CD1 4.35Å; E104-I259 HydrophobicContact CG-CD1 4.05Å; S255-I259 PolarHBondContact O-N 2.94Å; I259-G262 PolarHBondContact O-N 3.5Å; I259-V263 HydrophobicContact CG2-CG2 4.33Å; I259-V263 WeakPolarHBondContact O-CG2 3.31Å; I259-V263 PolarHBondContact O-N 3.37Å
260L66.5Low61.1Low51 Ų5156.2 Ų56.227%0.26730%0.296SS..Hα-helixtrans-62.9-42.5177.6-177.966.5000113.2T34 F159 S256 K257 Q258 G262 V263 L264T34-L260 HydrophobicContact CG2-CD1 4.17Å; T34-L260 HydrophobicContact CG2-CD2 3.9Å; F159-L260 HydrophobicContact CD1-CD1 3.67Å; F159-L260 HydrophobicContact CE1-CD1 3.38Å; F159-L260 HydrophobicContact CZ-CD1 4.37Å; S256-L260 WeakPolarHBondContact O-CB 3.38Å; S256-L260 PolarHBondContact O-N 3.33Å; S256-L260 VanDerWaalsContact O-N 3.1Å; K257-L260 PolarHBondContact O-N 3.05Å; Q258-L260 VanDerWaalsContact C-N 3.3Å; Q258-L260 PolarHBondContact O-N 3.39Å; L260-G262 VanDerWaalsContact C-N 3.35Å; L260-V263 PolarHBondContact O-N 3.28Å; L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.98Å
261Q65.1Low63.3Low128 Ų12847.4 Ų47.460%0.59826%0.264SS*.Hα-helixtrans-63.9-41.7174.9-80.7175.5-18.300111K257 Q258 L264 L265K257-Q261 VanDerWaalsContact O-CB 3.24Å; K257-Q261 WeakPolarHBondContact O-CB 3.42Å; K257-Q261 WeakPolarHBondContact O-CG 3.49Å; K257-Q261 PolarHBondContact O-N 3.43Å; Q258-Q261 PolarHBondContact O-N 3.46Å; Q261-L264 PolarHBondContact O-N 2.92Å; Q261-L265 WeakPolarHBondContact O-CB 3.28Å; Q261-L265 PolarHBondContact O-N 3.38Å
262G69.6Low65.5Low23 Ų2348.1 Ų48.124%0.23726%0.262CS..Hα-helixtrans-60.4-46.2173.900000112Q258 I259 L260 L265 H266Q258-G262 PolarHBondContact O-N 3.46Å; I259-G262 PolarHBondContact O-N 3.5Å; L260-G262 VanDerWaalsContact C-N 3.35Å; G262-L265 PolarHBondContact O-N 3.5Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.47Å; G262-H266 PolarHBondContact O-N 3.22Å
263V71.6Confident67.5Low2 Ų247.4 Ų47.41%0.01226%0.255CS..Hα-helixtrans-59.9-48.2174.4-179.50000110.6L38 F41 L78 F159 I259 L260 L265 H266 I267L38-V263 HydrophobicContact CD1-CG2 3.72Å; L38-V263 HydrophobicContact CG-CG2 4.45Å; F41-V263 HydrophobicContact CD1-CG1 4.32Å; F41-V263 HydrophobicContact CE1-CG1 4.31Å; L78-V263 HydrophobicContact CD1-CG1 4.43Å; L78-V263 HydrophobicContact CD2-CB 4.17Å; L78-V263 HydrophobicContact CD2-CG1 4.21Å; L78-V263 HydrophobicContact CD2-CG2 3.43Å; L78-V263 VanDerWaalsContact CD2-CG2 3.43Å; F159-V263 HydrophobicContact CE2-CG1 4.39Å; F159-V263 HydrophobicContact CZ-CG1 4.16Å; I259-V263 HydrophobicContact CG2-CG2 4.33Å; I259-V263 WeakPolarHBondContact O-CG2 3.31Å; I259-V263 PolarHBondContact O-N 3.37Å; L260-V263 PolarHBondContact O-N 3.28Å; V263-L265 PolarHBondContact O-N 3.5Å; V263-H266 WeakPolarHBondContact O-CB 3.48Å; V263-H266 PolarHBondContact O-N 2.92Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.37Å; V263-I267 VanDerWaalsContact O-CG1 3.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.41Å; V263-I267 PolarHBondContact O-N 3.4Å
264L70.4Confident69.6Low69 Ų6944.3 Ų44.336%0.36124%0.242SC..Hα-helixtrans-61.8-44.7-179.5-179.967.4000112.1L260 Q261 H266 I267 I268L260-L264 WeakPolarHBondContact O-CB 3.28Å; L260-L264 PolarHBondContact O-N 2.98Å; Q261-L264 PolarHBondContact O-N 2.92Å; L264-H266 VanDerWaalsContact C-N 3.27Å; L264-H266 PolarHBondContact O-N 3.25Å; L264-I267 PolarHBondContact O-N 3.13Å; L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 3.46Å
265L69.6Low71.6Confident103 Ų10346.8 Ų46.854%0.53925%0.251SS..Hα-helixtrans-64.3-37.1179.5-150.578.5000111.1Q261 G262 V263 I268 A269Q261-L265 WeakPolarHBondContact O-CB 3.28Å; Q261-L265 PolarHBondContact O-N 3.38Å; G262-L265 PolarHBondContact O-N 3.5Å; V263-L265 PolarHBondContact O-N 3.5Å; L265-I268 PolarHBondContact O-N 2.82Å; L265-A269 PolarHBondContact O-N 3.3Å
266H74.6Confident73.3Confident27 Ų2747.2 Ų47.213%0.12526%0.257CS..Hα-helixtrans-64.5-47.7172.817160.4000111.9D74 G262 V263 L264 I268 A269 D270D74-H266 IonicContact OD2-CE1 3.25Å; D74-H266 PolarHBondContact OD2-CE1 2.94Å; G262-H266 VanDerWaalsContact O-CB 3.31Å; G262-H266 WeakPolarHBondContact O-CB 3.47Å; G262-H266 PolarHBondContact O-N 3.22Å; V263-H266 WeakPolarHBondContact O-CB 3.48Å; V263-H266 PolarHBondContact O-N 2.92Å; L264-H266 VanDerWaalsContact C-N 3.27Å; L264-H266 PolarHBondContact O-N 3.25Å; H266-I268 VanDerWaalsContact C-N 3.25Å; H266-I268 PolarHBondContact O-N 3.46Å; H266-A269 WeakPolarHBondContact O-CA 3.35Å; H266-A269 WeakPolarHBondContact O-CB 3.43Å; H266-A269 PolarHBondContact O-N 2.81Å; H266-D270 IonicContact CD2-OD2 2.75Å; H266-D270 IonicContact CE1-OD1 3.13Å; H266-D270 PolarHBondContact CE1-OD1 3.06Å; H266-D270 IonicContact CE1-OD2 3.46Å; H266-D270 PolarHBondContact CE1-OD2 2.9Å; H266-D270 IonicContact ND1-OD1 3.72Å; H266-D270 PolarHBondContact ND1-OD1 3.18Å; H266-D270 IonicContact ND1-OD2 3.3Å; H266-D270 IonicContact NE2-OD2 2.99Å; H266-D270 PolarHBondContact NE2-OD2 2.64Å; H266-D270 PolarHBondContact O-N 3.48Å
267I76.9Confident74.6Confident0 Ų046.9 Ų46.90%025%0.253CS..Hα-helixtrans-57.1-42175.7-63.5169.9000111.2F41 I156 F159 V263 L264 A269 D270 T271F41-I267 HydrophobicContact CD1-CD1 3.97Å; F41-I267 HydrophobicContact CD2-CD1 4.38Å; F41-I267 HydrophobicContact CE1-CD1 3.44Å; F41-I267 VanDerWaalsContact CE1-CD1 3.44Å; F41-I267 HydrophobicContact CE1-CG1 3.55Å; F41-I267 HydrophobicContact CE2-CD1 3.91Å; F41-I267 HydrophobicContact CE2-CG1 4.18Å; F41-I267 HydrophobicContact CG-CD1 4.41Å; F41-I267 HydrophobicContact CZ-CD1 3.41Å; F41-I267 VanDerWaalsContact CZ-CD1 3.41Å; F41-I267 HydrophobicContact CZ-CG1 3.34Å; F41-I267 HydrophobicContact CZ-CG2 4.48Å; I156-I267 HydrophobicContact CD1-CG2 4.13Å; I156-I267 HydrophobicContact CG1-CG2 3.54Å; F159-I267 HydrophobicContact CD2-CD1 3.78Å; F159-I267 HydrophobicContact CE2-CD1 3.58Å; V263-I267 HydrophobicContact CG1-CD1 3.93Å; V263-I267 HydrophobicContact CG1-CG1 4.37Å; V263-I267 VanDerWaalsContact O-CG1 3.24Å; V263-I267 WeakPolarHBondContact O-CG1 3.41Å; V263-I267 PolarHBondContact O-N 3.4Å; L264-I267 PolarHBondContact O-N 3.13Å; I267-A269 VanDerWaalsContact C-N 3.33Å; I267-D270 PolarHBondContact O-N 3.29Å; I267-T271 WeakPolarHBondContact O-CB 3.42Å; I267-T271 PolarHBondContact O-N 3.35Å; I267-T271 PolarHBondContact O-OG1 3.4Å
268I77.6Confident75.9Confident71 Ų7142.9 Ų42.936%0.36424%0.236SC..Hα-helixtrans-63-42.5176.8-69.2166.4000110.3L264 L265 H266 T271 L272L264-I268 HydrophobicContact CD1-CD1 4.4Å; L264-I268 HydrophobicContact CG-CD1 4.06Å; L264-I268 VanDerWaalsContact O-CG1 3.29Å; L264-I268 WeakPolarHBondContact O-CG1 3.32Å; L264-I268 PolarHBondContact O-N 3.46Å; L265-I268 PolarHBondContact O-N 2.82Å; H266-I268 VanDerWaalsContact C-N 3.25Å; H266-I268 PolarHBondContact O-N 3.46Å; I268-T271 PolarHBondContact O-N 3.47Å; I268-L272 HydrophobicContact CG2-CD1 3.99Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 VanDerWaalsContact O-CG 3.28Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 2.9Å
269A78.1Confident77.1Confident30 Ų3044.5 Ų44.525%0.24825%0.246CC..Hα-helixtrans-61.3-46.1176.200000111.8L265 H266 I267 T271 L272 G273L265-A269 PolarHBondContact O-N 3.3Å; H266-A269 WeakPolarHBondContact O-CA 3.35Å; H266-A269 WeakPolarHBondContact O-CB 3.43Å; H266-A269 PolarHBondContact O-N 2.81Å; I267-A269 VanDerWaalsContact C-N 3.33Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.02Å; A269-L272 PolarHBondContact O-N 2.98Å; A269-G273 PolarHBondContact O-N 2.99Å
270D79.3Confident77.9Confident21 Ų2143 Ų4311%0.11224%0.239CC..Hα-helixtrans-66.9-35.8178.7-61.4-6.8000111.9H266 I267 G273 S274H266-D270 IonicContact CD2-OD2 2.75Å; H266-D270 IonicContact CE1-OD1 3.13Å; H266-D270 PolarHBondContact CE1-OD1 3.06Å; H266-D270 IonicContact CE1-OD2 3.46Å; H266-D270 PolarHBondContact CE1-OD2 2.9Å; H266-D270 IonicContact ND1-OD1 3.72Å; H266-D270 PolarHBondContact ND1-OD1 3.18Å; H266-D270 IonicContact ND1-OD2 3.3Å; H266-D270 IonicContact NE2-OD2 2.99Å; H266-D270 PolarHBondContact NE2-OD2 2.64Å; H266-D270 PolarHBondContact O-N 3.48Å; I267-D270 PolarHBondContact O-N 3.29Å; D270-G273 PolarHBondContact O-N 3.25Å; D270-S274 WeakPolarHBondContact O-CB 3.15Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.13Å
271T82.6Confident78.7Confident13 Ų1340.8 Ų40.88%0.0823%0.227CC..Hα-helixtrans-64.3-47.4174.3-54.50000110.5L149 N152 I156 I267 I268 A269 G273 S274 I275L149-T271 HydrophobicContact CD1-CG2 3.71Å; N152-T271 WeakPolarHBondContact CB-OG1 3.34Å; I156-T271 HydrophobicContact CD1-CG2 4.37Å; I267-T271 WeakPolarHBondContact O-CB 3.42Å; I267-T271 PolarHBondContact O-N 3.35Å; I267-T271 PolarHBondContact O-OG1 3.4Å; I268-T271 PolarHBondContact O-N 3.47Å; A269-T271 VanDerWaalsContact C-N 3.33Å; A269-T271 PolarHBondContact O-N 3.02Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 3.45Å; T271-S274 PolarHBondContact O-N 3.39Å; T271-I275 HydrophobicContact CG2-CD1 4.27Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 2.88Å
272L81.3Confident79.6Confident105 Ų10538.3 Ų38.355%0.5522%0.218SC..Hα-helixtrans-63.6-37.6176-73172.8000111.3I268 A269 I275 G276I268-L272 HydrophobicContact CG2-CD1 3.99Å; I268-L272 HydrophobicContact CG2-CG 4.42Å; I268-L272 WeakPolarHBondContact O-CB 3.26Å; I268-L272 VanDerWaalsContact O-CG 3.28Å; I268-L272 WeakPolarHBondContact O-CG 3.31Å; I268-L272 PolarHBondContact O-N 2.9Å; A269-L272 PolarHBondContact O-N 2.98Å; L272-I275 PolarHBondContact O-N 3.46Å; L272-G276 PolarHBondContact O-N 3.37Å
273G82.2Confident80.3Confident8 Ų840.2 Ų40.28%0.08222%0.222CC..Hα-helixtrans-61.5-49.3174.200000112A269 D270 T271 I275 G276 V277 I300A269-G273 PolarHBondContact O-N 2.99Å; D270-G273 PolarHBondContact O-N 3.25Å; T271-G273 VanDerWaalsContact C-N 3.29Å; T271-G273 PolarHBondContact O-N 3.45Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 2.82Å; G273-G276 WeakPolarHBondContact O-CA 3.46Å; G273-G276 PolarHBondContact O-N 3.45Å; G273-V277 WeakPolarHBondContact O-CG2 3.43Å; G273-V277 PolarHBondContact O-N 2.93Å; G273-I300 VanDerWaalsContact CA-CD1 3.45Å
274S84.6Confident80.7Confident19 Ų1940.6 Ų40.613%0.13322%0.224CC..Hα-helixtrans-58.2-42.8176.8-560000111.9D270 T271 V277 I278D270-S274 WeakPolarHBondContact O-CB 3.15Å; D270-S274 PolarHBondContact O-N 3.43Å; D270-S274 PolarHBondContact O-OG 3.13Å; T271-S274 PolarHBondContact O-N 3.39Å; S274-V277 PolarHBondContact O-N 3.49Å; S274-I278 WeakPolarHBondContact O-CD1 3.31Å; S274-I278 WeakPolarHBondContact O-CG1 3.27Å; S274-I278 PolarHBondContact O-N 3.02Å
275I86.4Confident81.3Confident69 Ų6942 Ų4235%0.35423%0.229SC..Hα-helixtrans-62.6-44.1174.9-68.2166.2000110.7L149 T271 L272 G273 V277 I278 I279L149-I275 HydrophobicContact CD1-CD1 4.39Å; L149-I275 HydrophobicContact CD1-CG1 3.9Å; L149-I275 HydrophobicContact CD2-CG1 4.42Å; T271-I275 HydrophobicContact CG2-CD1 4.27Å; T271-I275 VanDerWaalsContact O-CG1 3.31Å; T271-I275 WeakPolarHBondContact O-CG1 3.28Å; T271-I275 PolarHBondContact O-N 2.88Å; L272-I275 PolarHBondContact O-N 3.46Å; G273-I275 VanDerWaalsContact C-N 3.32Å; G273-I275 PolarHBondContact O-N 2.82Å; I275-V277 PolarHBondContact O-N 2.98Å; I275-I278 PolarHBondContact O-N 2.61Å; I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.44Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.3Å
276G83.9Confident81.9Confident15 Ų1544.8 Ų44.816%0.15524%0.237CC..Hα-helixtrans-57.5-47.3177.200000112.5L272 G273 I279 S280 C296L272-G276 PolarHBondContact O-N 3.37Å; G273-G276 WeakPolarHBondContact O-CA 3.46Å; G273-G276 PolarHBondContact O-N 3.45Å; G276-I279 PolarHBondContact O-N 3.27Å; G276-S280 PolarHBondContact O-N 2.89Å; G276-C296 WeakPolarHBondContact CA-SG 3.47Å
277V81.1Confident82.2Confident26 Ų2651 Ų5116%0.15826%0.26CS..Hα-helixtrans-66.5-36.4177.9-1800000111.8S145 G273 S274 I275 S280 A281S145-V277 WeakPolarHBondContact OG-CG1 3.43Å; G273-V277 WeakPolarHBondContact O-CG2 3.43Å; G273-V277 PolarHBondContact O-N 2.93Å; S274-V277 PolarHBondContact O-N 3.49Å; I275-V277 PolarHBondContact O-N 2.98Å; V277-S280 WeakPolarHBondContact CA-OG 3.28Å; V277-S280 PolarHBondContact O-N 3.01Å; V277-S280 PolarHBondContact O-OG 2.97Å; V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 3.32Å
278I85.8Confident82.2Confident27 Ų2757.3 Ų57.314%0.13829%0.294CS..Hα-helixtrans-64.1-43.6174-68.6162.7000110.6V146 L149 S274 I275 A281 L282V146-I278 HydrophobicContact CG2-CD1 4.02Å; V146-I278 HydrophobicContact CG2-CG1 4.27Å; L149-I278 HydrophobicContact CB-CD1 4.27Å; L149-I278 HydrophobicContact CD2-CD1 3.78Å; S274-I278 WeakPolarHBondContact O-CD1 3.31Å; S274-I278 WeakPolarHBondContact O-CG1 3.27Å; S274-I278 PolarHBondContact O-N 3.02Å; I275-I278 PolarHBondContact O-N 2.61Å; I278-A281 PolarHBondContact O-N 2.91Å; I278-L282 HydrophobicContact CG2-CD1 4.27Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.9Å
279I86.6Confident82.4Confident94 Ų9458.4 Ų58.448%0.48230%0.3SS..Hα-helixtrans-64.4-43.9177.4-67.6168.3000110.4I275 G276 A281 L282 L283I275-I279 HydrophobicContact CG2-CD1 3.8Å; I275-I279 HydrophobicContact CG2-CG1 4.44Å; I275-I279 WeakPolarHBondContact O-CG1 3.26Å; I275-I279 PolarHBondContact O-N 3.3Å; G276-I279 PolarHBondContact O-N 3.27Å; I279-A281 VanDerWaalsContact C-N 3.34Å; I279-A281 PolarHBondContact O-N 3Å; I279-L282 PolarHBondContact O-N 3.05Å; I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 HydrophobicContact CG2-CG 4.42Å; I279-L283 WeakPolarHBondContact O-CG 3.27Å; I279-L283 PolarHBondContact O-N 2.92Å
280S83.3Confident82.3Confident3 Ų360.5 Ų60.52%0.02131%0.306CS..Hα-helixtrans-61.4-43.1176.770.30000111.2G276 V277 L282 L283 M284G276-S280 PolarHBondContact O-N 2.89Å; V277-S280 WeakPolarHBondContact CA-OG 3.28Å; V277-S280 PolarHBondContact O-N 3.01Å; V277-S280 PolarHBondContact O-OG 2.97Å; S280-L282 PolarHBondContact O-N 3.07Å; S280-L283 PolarHBondContact O-N 3.41Å; S280-M284 WeakPolarHBondContact O-CG 3.4Å; S280-M284 PolarHBondContact O-N 3.24Å
281A82Confident82.5Confident3 Ų364.4 Ų64.43%0.02533%0.325CS..Hα-helixtrans-59.5-43.3175.800000112.8L142 V277 I278 I279 M284 Q285L142-A281 HydrophobicContact CB-CB 4.44Å; V277-A281 VanDerWaalsContact O-CB 3.29Å; V277-A281 WeakPolarHBondContact O-CB 3.29Å; V277-A281 PolarHBondContact O-N 3.32Å; I278-A281 PolarHBondContact O-N 2.91Å; I279-A281 VanDerWaalsContact C-N 3.34Å; I279-A281 PolarHBondContact O-N 3Å; A281-M284 PolarHBondContact O-N 3.27Å; A281-Q285 WeakPolarHBondContact O-CG 3.5Å; A281-Q285 PolarHBondContact O-N 2.92Å
282L84.8Confident82.5Confident77 Ų7764.7 Ų64.740%0.40333%0.329SS..Hα-helixtrans-67.6-36.3176.5-70.1174.9000112.5L142 I278 I279 S280 K286L142-L282 HydrophobicContact CD1-CD2 4.26Å; I278-L282 HydrophobicContact CG2-CD1 4.27Å; I278-L282 WeakPolarHBondContact O-CG 3.5Å; I278-L282 PolarHBondContact O-N 2.9Å; I279-L282 PolarHBondContact O-N 3.05Å; S280-L282 PolarHBondContact O-N 3.07Å; L282-K286 PolarHBondContact O-N 3.45Å; L282-K286 VanDerWaalsContact O-N 3.13Å
283L84.6Confident82.6Confident62 Ų6260.4 Ų60.433%0.32531%0.307SS..Hα-helixtrans-68.1-39.6175.5-72.5174.8000111.7I279 S280 K286 Y287 A292I279-L283 HydrophobicContact CG2-CD1 4.08Å; I279-L283 HydrophobicContact CG2-CG 4.42Å; I279-L283 WeakPolarHBondContact O-CG 3.27Å; I279-L283 PolarHBondContact O-N 2.92Å; S280-L283 PolarHBondContact O-N 3.41Å; L283-K286 PolarHBondContact O-N 3.32Å; L283-Y287 HydrophobicContact CD2-CD2 3.73Å; L283-Y287 HydrophobicContact CD2-CE2 3.89Å; L283-Y287 WeakPolarHBondContact O-CB 3.36Å; L283-Y287 PolarHBondContact O-N 3.37Å; L283-A292 HydrophobicContact CB-CB 4.36Å
284M80.4Confident82.7Confident10 Ų1060.2 Ų60.25%0.04930%0.304CS..Hα-helixtrans-61.8-44.7174.2-73.8-176.2-72.400111.4S280 A281 K286 D288 L289 M290 D293S280-M284 WeakPolarHBondContact O-CG 3.4Å; S280-M284 PolarHBondContact O-N 3.24Å; A281-M284 PolarHBondContact O-N 3.27Å; M284-K286 PolarHBondContact O-N 2.97Å; M284-D288 WeakPolarHBondContact O-CA 3.28Å; M284-D288 PolarHBondContact O-N 3.13Å; M284-D288 VanDerWaalsContact O-N 3.11Å; M284-L289 WeakPolarHBondContact CG-O 3.45Å; M284-M290 HydrophobicContact CB-CE 4.31Å; M284-M290 HydrophobicContact CG-CE 4.35Å; M284-D293 HydrophobicContact CE-CB 3.55Å; M284-D293 HydrophobicContact SD-CB 3.99Å
285Q81.1Confident82.9Confident100 Ų10063.4 Ų63.447%0.46732%0.318SS..Hα-helixtrans-67.8-33.4179.5-72.7178.51.700114.4A281A281-Q285 WeakPolarHBondContact O-CG 3.5Å; A281-Q285 PolarHBondContact O-N 2.92Å
286K83Confident82.9Confident161 Ų16161 Ų6170%0.731%0.308SS*.Hα-helixtrans-94.4-31.5-175.3-74.7-171.2177.5-176.10114.4L282 L283 M284L282-K286 PolarHBondContact O-N 3.45Å; L282-K286 VanDerWaalsContact O-N 3.13Å; L283-K286 PolarHBondContact O-N 3.32Å; M284-K286 PolarHBondContact O-N 2.97Å
287Y81.8Confident82.9Confident157 Ų15760.9 Ų60.962%0.61631%0.305SS*.Hα-helixtrans-125.24.1-169-60.1-82.2000113.4L283 L289L283-Y287 HydrophobicContact CD2-CD2 3.73Å; L283-Y287 HydrophobicContact CD2-CE2 3.89Å; L283-Y287 WeakPolarHBondContact O-CB 3.36Å; L283-Y287 PolarHBondContact O-N 3.37Å; Y287-L289 PolarHBondContact O-N 3.05Å; Y287-L289 VanDerWaalsContact O-N 3.09Å
288D77Confident83.3Confident133 Ų13361.8 Ų61.871%0.71131%0.308SS*.  trans53.126.6-176-67.9-47.1000113.8M284 M290M284-D288 WeakPolarHBondContact O-CA 3.28Å; M284-D288 PolarHBondContact O-N 3.13Å; M284-D288 VanDerWaalsContact O-N 3.11Å; D288-M290 VanDerWaalsContact C-N 3.33Å; D288-M290 PolarHBondContact O-N 3.16Å
289L80.1Confident83.5Confident93 Ų9365.3 Ų65.349%0.48733%0.326SS..  trans-80.773.2-179.2-70.2174.4000111.6M284 Y287 I291 A292M284-L289 WeakPolarHBondContact CG-O 3.45Å; Y287-L289 PolarHBondContact O-N 3.05Å; Y287-L289 VanDerWaalsContact O-N 3.09Å; L289-I291 PolarHBondContact O-N 3.49Å; L289-A292 HydrophobicContact CB-CB 4.42Å; L289-A292 VanDerWaalsContact O-CB 3.31Å; L289-A292 WeakPolarHBondContact O-CB 3.38Å; L289-A292 PolarHBondContact O-N 2.96Å
290M76.8Confident83.4Confident75 Ų7562.4 Ų62.437%0.36931%0.311SS..THydrogen-bonded Turntrans-54.1-23.7179.4-58.4-81.692.700114.2H138 M284 D288 A292 P294H138-M290 WeakPolarHBondContact CE1-CE 3.49Å; H138-M290 WeakPolarHBondContact NE2-CE 3.43Å; M284-M290 HydrophobicContact CB-CE 4.31Å; M284-M290 HydrophobicContact CG-CE 4.35Å; D288-M290 VanDerWaalsContact C-N 3.33Å; D288-M290 PolarHBondContact O-N 3.16Å; M290-A292 VanDerWaalsContact C-N 3.32Å; M290-P294 WeakPolarHBondContact O-CD 3.32Å
291I82.8Confident83.6Confident102 Ų10262.4 Ų62.452%0.52331%0.312SS..THydrogen-bonded Turntrans-80.5-13.1-177.2-55.5170.1000112L289 D293 P294 I295L289-I291 PolarHBondContact O-N 3.49Å; I291-D293 PolarHBondContact O-N 3.12Å; I291-P294 WeakPolarHBondContact O-CD 2.92Å; I291-I295 HydrophobicContact CG2-CD1 3.66Å; I291-I295 HydrophobicContact CG2-CG1 3.93Å; I291-I295 WeakPolarHBondContact O-CG1 2.82Å; I291-I295 PolarHBondContact O-N 3.34Å
292A83.4Confident84Confident19 Ų1967.4 Ų67.416%0.15734%0.337CS..Hα-helixtrans-62.3-39.1-175.500000113.2L283 L289 M290 C296L283-A292 HydrophobicContact CB-CB 4.36Å; L289-A292 HydrophobicContact CB-CB 4.42Å; L289-A292 VanDerWaalsContact O-CB 3.31Å; L289-A292 WeakPolarHBondContact O-CB 3.38Å; L289-A292 PolarHBondContact O-N 2.96Å; M290-A292 VanDerWaalsContact C-N 3.32Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.43Å
293D82.8Confident84Confident16 Ų1669.5 Ų69.59%0.08635%0.348CS..Hα-helixtrans-69.6-48179.5178.678000113.7R129 M284 I291 I295 C296 S297R129-D293 IonicContact NH1-OD2 3.5Å; M284-D293 HydrophobicContact CE-CB 3.55Å; M284-D293 HydrophobicContact SD-CB 3.99Å; I291-D293 PolarHBondContact O-N 3.12Å; D293-I295 VanDerWaalsContact C-N 3.33Å; D293-I295 PolarHBondContact O-N 3Å; D293-C296 PolarHBondContact O-N 3.34Å; D293-S297 PolarHBondContact O-N 2.92Å; D293-S297 PolarHBondContact O-OG 3.43Å; D293-S297 VanDerWaalsContact O-OG 3.08Å
294P85.6Confident84Confident4 Ų467.4 Ų67.43%0.02634%0.337CS..Hα-helixtrans-53.2-45.3170.9-29.833000114G126 R129 A130 M290 I291 C296 S297 M298G126-P294 WeakPolarHBondContact O-CB 3.5Å; R129-P294 HydrophobicContact CB-CB 4.44Å; R129-P294 HydrophobicContact CB-CG 3.84Å; A130-P294 HydrophobicContact CB-CB 3.8Å; A130-P294 HydrophobicContact CB-CG 4.39Å; M290-P294 WeakPolarHBondContact O-CD 3.32Å; I291-P294 WeakPolarHBondContact O-CD 2.92Å; P294-C296 PolarHBondContact O-N 2.85Å; P294-S297 PolarHBondContact O-N 3.43Å; P294-M298 WeakPolarHBondContact O-CE 2.93Å; P294-M298 WeakPolarHBondContact O-CG 3.3Å; P294-M298 PolarHBondContact O-N 3.35Å
295I88.6Confident84.3Confident85 Ų8568 Ų6844%0.43635%0.346SS..Hα-helixtrans-62.9-44.6178.5-69.2173.1000110.6I291 D293 M298 L299I291-I295 HydrophobicContact CG2-CD1 3.66Å; I291-I295 HydrophobicContact CG2-CG1 3.93Å; I291-I295 WeakPolarHBondContact O-CG1 2.82Å; I291-I295 PolarHBondContact O-N 3.34Å; D293-I295 VanDerWaalsContact C-N 3.33Å; D293-I295 PolarHBondContact O-N 3Å; I295-M298 HydrophobicContact CG1-CE 4.34Å; I295-M298 PolarHBondContact O-N 3.01Å; I295-L299 HydrophobicContact CG2-CD1 4.05Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.04Å; I295-L299 PolarHBondContact O-N 2.81Å
296C85.5Confident84.7Confident20 Ų2067.9 Ų67.914%0.13535%0.352CS..Hα-helixtrans-61.4-46.7179.2-171.30000111.5G276 A292 D293 P294 M298 L299 I300G276-C296 WeakPolarHBondContact CA-SG 3.47Å; A292-C296 WeakPolarHBondContact O-CB 3.29Å; A292-C296 PolarHBondContact O-N 3.43Å; D293-C296 PolarHBondContact O-N 3.34Å; P294-C296 PolarHBondContact O-N 2.85Å; C296-M298 PolarHBondContact O-N 3.44Å; C296-L299 PolarHBondContact O-N 2.98Å; C296-I300 WeakPolarHBondContact O-CD1 3.42Å; C296-I300 VanDerWaalsContact O-CG1 3.32Å; C296-I300 WeakPolarHBondContact O-CG1 3.36Å; C296-I300 PolarHBondContact O-N 2.93Å
297S84.2Confident84.7Confident12 Ų1262.3 Ų62.38%0.08433%0.333CS..Hα-helixtrans-60.9-44.1178.5-59.80000112.3D293 P294 L299 I300 A301D293-S297 PolarHBondContact O-N 2.92Å; D293-S297 PolarHBondContact O-OG 3.43Å; D293-S297 VanDerWaalsContact O-OG 3.08Å; P294-S297 PolarHBondContact O-N 3.43Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; S297-I300 PolarHBondContact O-N 3.08Å; S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.44Å
298M89.3Confident84.9Confident45 Ų4554.9 Ų54.922%0.22230%0.304CS..Hα-helixtrans-63.6-38175.8-73.1-174.4-71.500112.6F123 V127 P294 I295 C296 L302F123-M298 HydrophobicContact CD2-CB 4.1Å; F123-M298 HydrophobicContact CD2-CG 4.04Å; F123-M298 HydrophobicContact CE2-CB 4.08Å; F123-M298 HydrophobicContact CE2-CG 4.04Å; F123-M298 HydrophobicContact CE2-SD 4.27Å; F123-M298 HydrophobicContact CZ-SD 4.49Å; V127-M298 HydrophobicContact CG2-SD 3.78Å; P294-M298 WeakPolarHBondContact O-CE 2.93Å; P294-M298 WeakPolarHBondContact O-CG 3.3Å; P294-M298 PolarHBondContact O-N 3.35Å; I295-M298 HydrophobicContact CG1-CE 4.34Å; I295-M298 PolarHBondContact O-N 3.01Å; C296-M298 PolarHBondContact O-N 3.44Å; M298-L302 WeakPolarHBondContact O-CB 3.22Å; M298-L302 PolarHBondContact O-N 3.13Å
299L89.4Confident85.4Confident101 Ų10152.7 Ų52.753%0.52930%0.295SS..Hα-helixtrans-66.2-43.9176.1-75173.6000111.7I295 C296 S297 L302 L303I295-L299 HydrophobicContact CG2-CD1 4.05Å; I295-L299 HydrophobicContact CG2-CG 4.48Å; I295-L299 WeakPolarHBondContact O-CG 3.04Å; I295-L299 PolarHBondContact O-N 2.81Å; C296-L299 PolarHBondContact O-N 2.98Å; S297-L299 VanDerWaalsContact C-N 3.35Å; S297-L299 PolarHBondContact O-N 3.3Å; L299-L302 PolarHBondContact O-N 2.85Å; L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.05Å
300I84.8Confident85.6Confident33 Ų3351.9 Ų51.917%0.16930%0.296CS..Hα-helixtrans-60.8-47.9176.6-65.9158.6000110G273 C296 S297 L302 L303 I304G273-I300 VanDerWaalsContact CA-CD1 3.45Å; C296-I300 WeakPolarHBondContact O-CD1 3.42Å; C296-I300 VanDerWaalsContact O-CG1 3.32Å; C296-I300 WeakPolarHBondContact O-CG1 3.36Å; C296-I300 PolarHBondContact O-N 2.93Å; S297-I300 PolarHBondContact O-N 3.08Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.36Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.16Å; I300-I304 HydrophobicContact CG2-CD1 3.87Å; I300-I304 HydrophobicContact CG2-CG1 4.43Å; I300-I304 WeakPolarHBondContact O-CG1 3.36Å; I300-I304 PolarHBondContact O-N 2.7Å
301A87.4Confident85.9Confident3 Ų351.6 Ų51.63%0.02530%0.295CS..Hα-helixtrans-57.8-42.5177.300000112.7A119 I122 F123 S297 I304 G305A119-A301 WeakPolarHBondContact O-CB 3.31Å; I122-A301 HydrophobicContact CB-CB 4.12Å; I122-A301 HydrophobicContact CG2-CB 3.96Å; F123-A301 HydrophobicContact CB-CB 3.81Å; F123-A301 HydrophobicContact CD2-CB 4.41Å; S297-A301 WeakPolarHBondContact O-CB 3.41Å; S297-A301 PolarHBondContact O-N 3.44Å; A301-I304 PolarHBondContact O-N 3.46Å; A301-G305 PolarHBondContact O-N 2.93Å
302L90.4Very high86.1Confident107 Ų10747.6 Ų47.656%0.5628%0.275SS*.Hα-helixtrans-64.6-42.8176.6-175.867.4000111.8M298 L299 I300 G305 V306M298-L302 WeakPolarHBondContact O-CB 3.22Å; M298-L302 PolarHBondContact O-N 3.13Å; L299-L302 PolarHBondContact O-N 2.85Å; I300-L302 VanDerWaalsContact C-N 3.32Å; I300-L302 PolarHBondContact O-N 3.36Å; L302-G305 PolarHBondContact O-N 2.95Å; L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 2.92Å
303L86.1Confident86.3Confident122 Ų12253.4 Ų53.464%0.63930%0.297SS*.Hα-helixtrans-61.6-44.5177-73.2172.1000111.5L299 I300 V306 S307L299-L303 VanDerWaalsContact O-CG 3.32Å; L299-L303 WeakPolarHBondContact O-CG 3.45Å; L299-L303 PolarHBondContact O-N 3.05Å; I300-L303 PolarHBondContact O-N 2.81Å; I300-L303 VanDerWaalsContact O-N 3.16Å; L303-V306 PolarHBondContact O-N 3.36Å; L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.4Å; L303-S307 PolarHBondContact O-OG 3.43Å
304I83.6Confident86.4Confident18 Ų1857 Ų579%0.09231%0.313CS..Hα-helixtrans-58.8-51.7174.3-65.2167.7000109.3L115 A119 I122 I300 A301 V306 S307 V308L115-I304 HydrophobicContact CB-CG2 4.46Å; A119-I304 HydrophobicContact CB-CB 4.22Å; A119-I304 HydrophobicContact CB-CG2 3.97Å; I122-I304 HydrophobicContact CD1-CD1 4.46Å; I300-I304 HydrophobicContact CG2-CD1 3.87Å; I300-I304 HydrophobicContact CG2-CG1 4.43Å; I300-I304 WeakPolarHBondContact O-CG1 3.36Å; I300-I304 PolarHBondContact O-N 2.7Å; A301-I304 PolarHBondContact O-N 3.46Å; I304-V306 PolarHBondContact O-N 3.1Å; I304-S307 PolarHBondContact O-N 3.33Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 3.5Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 2.91Å; I304-V308 VanDerWaalsContact O-N 3.13Å
305G87.4Confident86.4Confident23 Ų2357.6 Ų57.624%0.23732%0.317CS..Hα-helixtrans-54.7-47.3179.300000113.3A301 L302 S307 V308A301-G305 PolarHBondContact O-N 2.93Å; L302-G305 PolarHBondContact O-N 2.95Å; G305-S307 PolarHBondContact O-N 2.96Å; G305-V308 PolarHBondContact O-N 2.97Å
306V89.4Confident86.6Confident97 Ų9756.9 Ų56.959%0.58831%0.314SS*.Hα-helixtrans-64.7-39.5177.5171.90000111.8L302 L303 I304 V308 P310L302-V306 WeakPolarHBondContact O-CG2 3.44Å; L302-V306 PolarHBondContact O-N 2.92Å; L303-V306 PolarHBondContact O-N 3.36Å; I304-V306 PolarHBondContact O-N 3.1Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 3.3Å; V306-P310 VanDerWaalsContact O-CD 3.26Å; V306-P310 WeakPolarHBondContact O-CD 3.36Å
307S82.8Confident86.8Confident44 Ų4456.6 Ų56.631%0.30831%0.313SS..Hα-helixtrans-66.5-27.5-179.476.40000113.6L303 I304 G305 P310L303-S307 WeakPolarHBondContact O-CB 3.44Å; L303-S307 PolarHBondContact O-N 3.4Å; L303-S307 PolarHBondContact O-OG 3.43Å; I304-S307 PolarHBondContact O-N 3.33Å; I304-S307 VanDerWaalsContact O-N 3.1Å; I304-S307 PolarHBondContact O-OG 3.5Å; G305-S307 PolarHBondContact O-N 2.96Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.33Å; S307-P310 VanDerWaalsContact O-CG 3.27Å; S307-P310 WeakPolarHBondContact O-CG 3.27Å
308V85.1Confident86.9Confident0 Ų056.7 Ų56.70%031%0.313CS..Hα-helixtrans-83.4-27.8-176.6174.90000112.7G112 L115 I116 I304 G305 V306 L311 L312G112-V308 VanDerWaalsContact O-CG1 3.31Å; G112-V308 WeakPolarHBondContact O-CG1 3.24Å; L115-V308 HydrophobicContact CB-CG1 4.41Å; L115-V308 HydrophobicContact CB-CG2 3.51Å; L115-V308 HydrophobicContact CD1-CG2 3.75Å; L115-V308 HydrophobicContact CG-CG2 4.27Å; I116-V308 HydrophobicContact CD1-CG1 4.32Å; I116-V308 HydrophobicContact CG1-CB 4.45Å; I116-V308 HydrophobicContact CG1-CG1 3.87Å; I304-V308 HydrophobicContact CG2-CG2 4.34Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.32Å; I304-V308 PolarHBondContact O-N 2.91Å; I304-V308 VanDerWaalsContact O-N 3.13Å; G305-V308 PolarHBondContact O-N 2.97Å; V306-V308 VanDerWaalsContact C-N 3.27Å; V306-V308 PolarHBondContact O-N 3.3Å; V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 3.37Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 3.88Å; V308-L312 PolarHBondContact O-N 3.12Å
309V88.6Confident86.9Confident88 Ų8857.4 Ų57.453%0.53332%0.318SS..Hα-helixtrans-51.3-51178.1173.60000113.3L311 L312 K313V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.71Å; V309-L312 PolarHBondContact O-N 2.93Å; V309-K313 WeakPolarHBondContact O-CB 3.24Å; V309-K313 PolarHBondContact O-N 3.25Å
310P84.5Confident87.1Confident76 Ų7659.6 Ų59.649%0.49433%0.327SS..Hα-helixtrans-62.8-39.9178.223.7-33.7000112.4V306 S307 L312 K313 E314V306-P310 VanDerWaalsContact O-CD 3.26Å; V306-P310 WeakPolarHBondContact O-CD 3.36Å; S307-P310 VanDerWaalsContact O-CD 3.31Å; S307-P310 WeakPolarHBondContact O-CD 3.33Å; S307-P310 VanDerWaalsContact O-CG 3.27Å; S307-P310 WeakPolarHBondContact O-CG 3.27Å; P310-L312 PolarHBondContact O-N 2.93Å; P310-K313 PolarHBondContact O-N 3.47Å; P310-E314 WeakPolarHBondContact O-CB 3.15Å; P310-E314 PolarHBondContact O-N 2.99Å
311L81.3Confident87.3Confident69 Ų6962.1 Ų62.136%0.36134%0.338SS..Hα-helixtrans-62.3-43.4178.6-65.6172.8000112V308 V309 S315V308-L311 WeakPolarHBondContact O-CB 3.27Å; V308-L311 PolarHBondContact O-N 3.37Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V309-L311 VanDerWaalsContact C-N 3.34Å; V309-L311 PolarHBondContact O-N 2.71Å; L311-S315 WeakPolarHBondContact O-CB 3.39Å; L311-S315 PolarHBondContact O-N 3.38Å; L311-S315 PolarHBondContact O-OG 3.22Å
312L87.3Confident87.4Confident18 Ų1868.6 Ų68.69%0.09436%0.362CS..Hα-helixtrans-67.6-43.6175.9-76.9177.9000111.9F109 L113 I116 V308 V309 P310 E314 S315 I316F109-L312 HydrophobicContact CD2-CD2 3.66Å; F109-L312 HydrophobicContact CE2-CD2 3.91Å; L113-L312 HydrophobicContact CD2-CD2 4.47Å; I116-L312 HydrophobicContact CD1-CD1 3.26Å; I116-L312 HydrophobicContact CG1-CD1 4.17Å; V308-L312 HydrophobicContact CG1-CD1 3.82Å; V308-L312 HydrophobicContact CG1-CG 3.88Å; V308-L312 PolarHBondContact O-N 3.12Å; V309-L312 PolarHBondContact O-N 2.93Å; P310-L312 PolarHBondContact O-N 2.93Å; L312-E314 VanDerWaalsContact C-N 3.28Å; L312-E314 PolarHBondContact O-N 3.37Å; L312-S315 PolarHBondContact O-N 3.33Å; L312-I316 HydrophobicContact CB-CD1 4.43Å; L312-I316 VanDerWaalsContact O-CB 3.28Å; L312-I316 WeakPolarHBondContact O-CB 3.23Å; L312-I316 WeakPolarHBondContact O-CD1 3.12Å; L312-I316 WeakPolarHBondContact O-CG1 3.27Å; L312-I316 PolarHBondContact O-N 3Å
313K88.7Confident87.3Confident141 Ų14166.1 Ų66.161%0.61335%0.351SS*.Hα-helixtrans-59.8-40.7178.7-176.7180176.9-178.20111.7V309 P310 G317V309-K313 WeakPolarHBondContact O-CB 3.24Å; V309-K313 PolarHBondContact O-N 3.25Å; P310-K313 PolarHBondContact O-N 3.47Å; K313-G317 PolarHBondContact O-N 3.08Å
314E84.3Confident87.3Confident92 Ų9260.3 Ų60.343%0.4332%0.321SS..Hα-helixtrans-66.7-50176.2-170.6178.4168.700111.4Q258 P310 L312 I316 G317 I318Q258-E314 PolarHBondContact NE2-OE1 3.4Å; P310-E314 WeakPolarHBondContact O-CB 3.15Å; P310-E314 PolarHBondContact O-N 2.99Å; L312-E314 VanDerWaalsContact C-N 3.28Å; L312-E314 PolarHBondContact O-N 3.37Å; E314-I316 PolarHBondContact O-N 3.39Å; E314-G317 WeakPolarHBondContact O-CA 3.38Å; E314-G317 PolarHBondContact O-N 3.04Å; E314-G317 VanDerWaalsContact O-N 3.08Å; E314-I318 HydrophobicContact CG-CD1 4.27Å; E314-I318 WeakPolarHBondContact O-CG1 3.19Å; E314-I318 PolarHBondContact O-N 3.02Å
315S86.4Confident87.3Confident16 Ų1663.6 Ų63.611%0.11234%0.343CS..Hα-helixtrans-61.2-44.8-179.7-56.10000112.1L311 L312 G317 I318 L319L311-S315 WeakPolarHBondContact O-CB 3.39Å; L311-S315 PolarHBondContact O-N 3.38Å; L311-S315 PolarHBondContact O-OG 3.22Å; L312-S315 PolarHBondContact O-N 3.33Å; S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 3.07Å; S315-I318 PolarHBondContact O-N 3.41Å; S315-L319 WeakPolarHBondContact O-CB 3.26Å; S315-L319 VanDerWaalsContact O-CG 3.28Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 2.99Å
316I91.3Very high87.1Confident70 Ų7065.8 Ų65.836%0.35936%0.355SS..Hα-helixtrans-60.4-43.4174-68.3165.2000110F109 L312 E314 I318 L319 M320F109-I316 HydrophobicContact CD2-CG1 3.94Å; F109-I316 HydrophobicContact CE2-CD1 4.02Å; F109-I316 HydrophobicContact CE2-CG1 3.57Å; L312-I316 HydrophobicContact CB-CD1 4.43Å; L312-I316 VanDerWaalsContact O-CB 3.28Å; L312-I316 WeakPolarHBondContact O-CB 3.23Å; L312-I316 WeakPolarHBondContact O-CD1 3.12Å; L312-I316 WeakPolarHBondContact O-CG1 3.27Å; L312-I316 PolarHBondContact O-N 3Å; E314-I316 PolarHBondContact O-N 3.39Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 3.15Å; I316-L319 PolarHBondContact O-N 3.46Å; I316-M320 HydrophobicContact CG2-CG 4.04Å; I316-M320 HydrophobicContact CG2-SD 3.68Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.37Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.37Å; I316-M320 PolarHBondContact O-N 3.38Å
317G89.8Confident86.9Confident13 Ų1361.3 Ų61.313%0.13433%0.327CS..Hα-helixtrans-57.2-45.3177.100000112.7K313 E314 S315 M320 Q321 R322K313-G317 PolarHBondContact O-N 3.08Å; E314-G317 WeakPolarHBondContact O-CA 3.38Å; E314-G317 PolarHBondContact O-N 3.04Å; E314-G317 VanDerWaalsContact O-N 3.08Å; S315-G317 VanDerWaalsContact C-N 3.32Å; S315-G317 PolarHBondContact O-N 3.07Å; G317-M320 PolarHBondContact O-N 2.87Å; G317-Q321 PolarHBondContact O-N 2.91Å; G317-R322 WeakPolarHBondContact O-CB 3.08Å; G317-R322 PolarHBondContact O-N 2.67Å
318I87.4Confident87.1Confident14 Ų1464 Ų647%0.07234%0.339CS..Hα-helixtrans-67.2-44.7177.9-61.7165.1000110.8V105 E314 S315 I316 M320 Q321 T354V105-I318 HydrophobicContact CB-CG2 4.47Å; V105-I318 HydrophobicContact CG1-CB 3.89Å; V105-I318 HydrophobicContact CG1-CD1 4.25Å; V105-I318 HydrophobicContact CG1-CG2 3.88Å; V105-I318 HydrophobicContact CG2-CD1 4.31Å; V105-I318 HydrophobicContact CG2-CG2 3.97Å; E314-I318 HydrophobicContact CG-CD1 4.27Å; E314-I318 WeakPolarHBondContact O-CG1 3.19Å; E314-I318 PolarHBondContact O-N 3.02Å; S315-I318 PolarHBondContact O-N 3.41Å; I316-I318 VanDerWaalsContact C-N 3.33Å; I316-I318 PolarHBondContact O-N 3.15Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.24Å; I318-Q321 PolarHBondContact O-N 3.08Å; I318-T354 HydrophobicContact CG1-CG2 4.03Å; I318-T354 HydrophobicContact CG2-CG2 4.26Å
319L89.1Confident87.3Confident61 Ų6170.9 Ų70.932%0.31938%0.375SS..Hα-helixtrans-64.6-33.4178.5-69174.7000112.7V105 F109 S315 I316 Q321V105-L319 HydrophobicContact CG1-CD2 4.21Å; V105-L319 HydrophobicContact CG1-CG 4.07Å; F109-L319 HydrophobicContact CB-CD1 4.13Å; F109-L319 HydrophobicContact CD1-CD1 4.31Å; F109-L319 HydrophobicContact CD2-CD1 4.47Å; F109-L319 HydrophobicContact CG-CD1 4.04Å; S315-L319 WeakPolarHBondContact O-CB 3.26Å; S315-L319 VanDerWaalsContact O-CG 3.28Å; S315-L319 WeakPolarHBondContact O-CG 3.42Å; S315-L319 PolarHBondContact O-N 2.99Å; I316-L319 PolarHBondContact O-N 3.46Å; L319-Q321 PolarHBondContact O-N 3.15Å
320M92.6Very high87.4Confident146 Ų14667.8 Ų67.872%0.71936%0.359SS*.THydrogen-bonded Turntrans-78.75.1173.8-70.9-171.372.100113.7I316 G317 I318 R322I316-M320 HydrophobicContact CG2-CG 4.04Å; I316-M320 HydrophobicContact CG2-SD 3.68Å; I316-M320 VanDerWaalsContact O-CB 3.27Å; I316-M320 WeakPolarHBondContact O-CB 3.37Å; I316-M320 VanDerWaalsContact O-CG 3.26Å; I316-M320 WeakPolarHBondContact O-CG 3.37Å; I316-M320 PolarHBondContact O-N 3.38Å; G317-M320 PolarHBondContact O-N 2.87Å; I318-M320 VanDerWaalsContact C-N 3.3Å; I318-M320 PolarHBondContact O-N 3.24Å; M320-R322 PolarHBondContact O-N 3.39Å
321Q90.4Very high87.7Confident87 Ų8764.5 Ų64.541%0.40734%0.337SS..THydrogen-bonded Turntrans57.536.6-179.6-58.418081.500112.6G317 I318 L319 W353G317-Q321 PolarHBondContact O-N 2.91Å; I318-Q321 PolarHBondContact O-N 3.08Å; L319-Q321 PolarHBondContact O-N 3.15Å; Q321-W353 HydrophobicContact CB-CB 3.92Å; Q321-W353 HydrophobicContact CB-CG 4.44Å
322R88.9Confident88.3Confident138 Ų13864.5 Ų64.552%0.52134%0.341SS..PPolyproline II helixtrans-61.6142.4177.5-172-173.9171.4165.90.3110.5G317 M320G317-R322 WeakPolarHBondContact O-CB 3.08Å; G317-R322 PolarHBondContact O-N 2.67Å; M320-R322 PolarHBondContact O-N 3.39Å
323T89.3Confident88.6Confident55 Ų5568.3 Ų68.334%0.33736%0.359SS..PPolyproline II helixtrans-55.3127167.3-48.20000109.9L331 F352T323-L331 HydrophobicContact CG2-CD1 3.87Å; T323-F352 WeakPolarHBondContact CA-O 3.36Å; T323-F352 HydrophobicContact CG2-CB 4.41Å
324P84.6Confident88.9Confident1 Ų161.7 Ų61.71%0.00633%0.33CS..PPolyproline II helixtrans-59.8126.9-179.120.1-30.6000111S326 L327 D328 T354 Y360P324-S326 PolarHBondContact O-N 2.81Å; P324-L327 HydrophobicContact CB-CD1 4.49Å; P324-L327 HydrophobicContact CB-CG 4.19Å; P324-L327 HydrophobicContact CG-CB 3.91Å; P324-L327 HydrophobicContact CG-CD1 3.45Å; P324-L327 VanDerWaalsContact CG-CD1 3.45Å; P324-L327 HydrophobicContact CG-CG 3.59Å; P324-L327 PolarHBondContact O-N 3.35Å; P324-D328 PolarHBondContact O-N 3.01Å; P324-T354 WeakPolarHBondContact CB-OG1 3.18Å; P324-Y360 HydrophobicContact CB-CD1 3.59Å; P324-Y360 HydrophobicContact CB-CE1 3.51Å; P324-Y360 HydrophobicContact CB-CG 4.29Å; P324-Y360 HydrophobicContact CG-CD1 3.71Å; P324-Y360 HydrophobicContact CG-CE1 4.15Å; P324-Y360 HydrophobicContact CG-CG 4.03Å
325P83.3Confident89.4Confident86 Ų8659.7 Ų59.756%0.55832%0.319SS*.Hα-helixtrans-59.8-28.3-178.5-23.532.4000113.7L327 D328P325-L327 VanDerWaalsContact C-N 3.33Å; P325-D328 PolarHBondContact O-N 3.14Å
326S83.1Confident89.7Confident69 Ų6964.6 Ų64.648%0.48334%0.34SS..Hα-helixtrans-65.9-33.8176.248.30000112.7P324 Y360P324-S326 PolarHBondContact O-N 2.81Å; S326-Y360 PolarHBondContact OG-OH 3.3Å
327L85.8Confident89.8Confident3 Ų365.8 Ų65.82%0.01634%0.34CS..Hα-helixtrans-86.4-19.6179.3-57.2-171.8000112.4P324 P325 N329 A330 L331 Y360 V388 V390P324-L327 HydrophobicContact CB-CD1 4.49Å; P324-L327 HydrophobicContact CB-CG 4.19Å; P324-L327 HydrophobicContact CG-CB 3.91Å; P324-L327 HydrophobicContact CG-CD1 3.45Å; P324-L327 VanDerWaalsContact CG-CD1 3.45Å; P324-L327 HydrophobicContact CG-CG 3.59Å; P324-L327 PolarHBondContact O-N 3.35Å; P325-L327 VanDerWaalsContact C-N 3.33Å; L327-N329 PolarHBondContact O-N 3.03Å; L327-N329 VanDerWaalsContact O-N 3.11Å; L327-A330 PolarHBondContact O-N 2.94Å; L327-L331 HydrophobicContact CB-CD1 4.02Å; L327-L331 HydrophobicContact CB-CD2 4.49Å; L327-L331 HydrophobicContact CB-CG 3.92Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.38Å; L327-Y360 HydrophobicContact CD1-CD2 3.85Å; L327-Y360 HydrophobicContact CD1-CG 3.91Å; L327-Y360 HydrophobicContact CD2-CD2 4.06Å; L327-Y360 HydrophobicContact CD2-CE2 4.27Å; L327-Y360 HydrophobicContact CG-CD2 4.02Å; L327-Y360 HydrophobicContact CG-CE2 4.32Å; L327-Y360 HydrophobicContact CG-CG 4.4Å; L327-V388 HydrophobicContact CD2-CB 4.32Å; L327-V388 HydrophobicContact CD2-CG1 3.54Å; L327-V388 WeakPolarHBondContact CD2-O 3.29Å; L327-V390 HydrophobicContact CD1-CG2 3.78Å
328D87.6Confident90.1Very high101 Ų10165.1 Ų65.154%0.5433%0.334SS..Hα-helixtrans-54.7-37.8-172.3-155.132.1000112.8P324 P325 P332P324-D328 PolarHBondContact O-N 3.01Å; P325-D328 PolarHBondContact O-N 3.14Å; D328-P332 VanDerWaalsContact O-CD 3.3Å; D328-P332 WeakPolarHBondContact O-CD 3.29Å
329N88.5Confident90.4Very high144 Ų14469 Ų6977%0.7735%0.352SS*.THydrogen-bonded Turntrans-80.8-26177.3-63.2-47.7000114L327L327-N329 PolarHBondContact O-N 3.03Å; L327-N329 VanDerWaalsContact O-N 3.11Å
330A90.7Very high90.7Very high23 Ų2373.5 Ų73.519%0.1937%0.371CS..THydrogen-bonded Turntrans-95.8-23.7-17400000113.3L327 E333 C334 V388L327-A330 PolarHBondContact O-N 2.94Å; A330-E333 PolarHBondContact O-N 3.42Å; A330-C334 PolarHBondContact O-N 2.83Å; A330-C334 VanDerWaalsContact O-N 3.11Å; A330-C334 PolarHBondContact O-SG 3.16Å; A330-V388 HydrophobicContact CB-CG1 3.36Å
331L92.3Very high90.7Very high8 Ų867.7 Ų67.74%0.04234%0.342CS..Hα-helixtrans-57.4-44.3177.4-77171.7000113.1T323 L327 E333 C334 Y335 F352 F385T323-L331 HydrophobicContact CG2-CD1 3.87Å; L327-L331 HydrophobicContact CB-CD1 4.02Å; L327-L331 HydrophobicContact CB-CD2 4.49Å; L327-L331 HydrophobicContact CB-CG 3.92Å; L327-L331 WeakPolarHBondContact O-CB 3.49Å; L327-L331 VanDerWaalsContact O-CG 3.23Å; L327-L331 WeakPolarHBondContact O-CG 3.46Å; L327-L331 PolarHBondContact O-N 3.38Å; L331-E333 VanDerWaalsContact C-N 3.3Å; L331-E333 PolarHBondContact O-N 3.28Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 3.41Å; L331-C334 VanDerWaalsContact O-N 3.13Å; L331-Y335 HydrophobicContact CB-CE1 4.43Å; L331-Y335 HydrophobicContact CB-CE2 3.85Å; L331-Y335 HydrophobicContact CD2-CE1 4.17Å; L331-Y335 WeakPolarHBondContact O-CD1 3.44Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å; L331-Y335 PolarHBondContact O-N 3.35Å; L331-F352 HydrophobicContact CD1-CB 4.42Å; L331-F352 HydrophobicContact CD1-CD2 4.08Å; L331-F352 HydrophobicContact CD1-CG 4.29Å; L331-F352 HydrophobicContact CD2-CD1 4.1Å; L331-F352 HydrophobicContact CD2-CD2 3.73Å; L331-F352 HydrophobicContact CD2-CE1 4.02Å; L331-F352 HydrophobicContact CD2-CE2 3.67Å; L331-F352 HydrophobicContact CD2-CG 3.96Å; L331-F352 HydrophobicContact CD2-CZ 3.82Å; L331-F385 HydrophobicContact CD2-CD1 4.4Å; L331-F385 HydrophobicContact CD2-CE1 3.93Å
332P93.3Very high90.7Very high68 Ų6871.6 Ų71.644%0.44236%0.361SS..Hα-helixtrans-57.5-40.9177.4-2635.6000113.3D328 Y335 Q336D328-P332 VanDerWaalsContact O-CD 3.3Å; D328-P332 WeakPolarHBondContact O-CD 3.29Å; P332-Y335 PolarHBondContact O-N 3.3Å; P332-Q336 WeakPolarHBondContact O-CG 3.24Å; P332-Q336 PolarHBondContact O-N 3.01Å; P332-Q336 VanDerWaalsContact O-N 3.08Å
333E93.8Very high90.7Very high99 Ų9966 Ų6646%0.46335%0.346SS..Hα-helixtrans-67.2-39.8177.2-170.3-179.9-175.800111.4A330 L331 Y335 Q336 R337A330-E333 PolarHBondContact O-N 3.42Å; L331-E333 VanDerWaalsContact C-N 3.3Å; L331-E333 PolarHBondContact O-N 3.28Å; E333-Y335 PolarHBondContact O-N 3.3Å; E333-Q336 PolarHBondContact O-N 3.44Å; E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.89Å; E333-R337 IonicContact OE1-CZ 3.37Å; E333-R337 IonicContact OE1-NE 3.54Å; E333-R337 IonicContact OE1-NH2 2.63Å; E333-R337 PolarHBondContact OE1-NH2 2.88Å; E333-R337 IonicContact OE2-NH2 3.88Å
334C93.7Very high91Very high2 Ų264 Ų641%0.01433%0.334CS..Hα-helixtrans-61.2-44.4174.5-64.20000111.8A330 L331 Q336 R337 V338 I384 F385 V388A330-C334 PolarHBondContact O-N 2.83Å; A330-C334 VanDerWaalsContact O-N 3.11Å; A330-C334 PolarHBondContact O-SG 3.16Å; L331-C334 WeakPolarHBondContact O-CB 3.35Å; L331-C334 PolarHBondContact O-N 3.41Å; L331-C334 VanDerWaalsContact O-N 3.13Å; C334-Q336 VanDerWaalsContact C-N 3.32Å; C334-Q336 PolarHBondContact O-N 3.49Å; C334-R337 PolarHBondContact O-N 2.93Å; C334-V338 VanDerWaalsContact O-CG2 3.3Å; C334-V338 WeakPolarHBondContact O-CG2 3.34Å; C334-V338 PolarHBondContact O-N 2.97Å; C334-I384 HydrophobicContact CB-CG2 3.92Å; C334-F385 HydrophobicContact CB-CD1 4.07Å; C334-F385 HydrophobicContact CB-CE1 3.54Å; C334-F385 HydrophobicContact CB-CZ 3.9Å; C334-V388 WeakPolarHBondContact SG-CG2 3.44Å
335Y94.6Very high91.4Very high50 Ų5070.7 Ų70.720%0.19636%0.36CS..Hα-helixtrans-61.2-42.7178.2-56.5-30.9000111.4L331 P332 E333 V338 Q339 L347 P350 F352 F385L331-Y335 HydrophobicContact CB-CE1 4.43Å; L331-Y335 HydrophobicContact CB-CE2 3.85Å; L331-Y335 HydrophobicContact CD2-CE1 4.17Å; L331-Y335 WeakPolarHBondContact O-CD1 3.44Å; L331-Y335 WeakPolarHBondContact O-CD2 3.39Å; L331-Y335 PolarHBondContact O-N 3.35Å; P332-Y335 PolarHBondContact O-N 3.3Å; E333-Y335 PolarHBondContact O-N 3.3Å; Y335-V338 PolarHBondContact O-N 3.25Å; Y335-Q339 WeakPolarHBondContact O-CB 3.48Å; Y335-Q339 VanDerWaalsContact O-CG 3.32Å; Y335-Q339 WeakPolarHBondContact O-CG 3.32Å; Y335-Q339 PolarHBondContact O-N 3.2Å; Y335-L347 HydrophobicContact CD1-CD1 3.85Å; Y335-L347 HydrophobicContact CD1-CD2 4.24Å; Y335-L347 HydrophobicContact CG-CD1 4.46Å; Y335-P350 HydrophobicContact CE1-CB 3.83Å; Y335-P350 HydrophobicContact CE1-CG 4.43Å; Y335-F352 AromaticContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CZ 4.3Å; Y335-F352 AromaticContact CZ-CE2 3.98Å; Y335-F352 WeakPolarHBondContact OH-CD2 3.47Å; Y335-F352 VanDerWaalsContact OH-CE2 3.26Å; Y335-F352 WeakPolarHBondContact OH-CE2 3.26Å; Y335-F385 HydrophobicContact CD1-CE1 4.36Å; Y335-F385 AromaticContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 AromaticContact CE1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CZ 3.95Å
336Q94.1Very high91.8Very high119 Ų11969.7 Ų69.756%0.55635%0.35SS*.Hα-helixtrans-62.3-45.9175.9-74.1-177.1-13.800112.1P332 E333 C334 V338 Q339 Q340P332-Q336 WeakPolarHBondContact O-CG 3.24Å; P332-Q336 PolarHBondContact O-N 3.01Å; P332-Q336 VanDerWaalsContact O-N 3.08Å; E333-Q336 PolarHBondContact O-N 3.44Å; C334-Q336 VanDerWaalsContact C-N 3.32Å; C334-Q336 PolarHBondContact O-N 3.49Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 2.97Å; Q336-Q339 PolarHBondContact O-N 3.03Å; Q336-Q340 VanDerWaalsContact O-CG 3.27Å; Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 3.43Å
337R93.9Very high92.4Very high94 Ų9467.2 Ų67.236%0.35533%0.331SS..Hα-helixtrans-62.2-39.6178-70.7178.6-172.5173.10.8112.4E333 C334 Q340 I384E333-R337 VanDerWaalsContact CD-NH2 3.32Å; E333-R337 WeakPolarHBondContact O-CG 3.45Å; E333-R337 PolarHBondContact O-N 2.89Å; E333-R337 IonicContact OE1-CZ 3.37Å; E333-R337 IonicContact OE1-NE 3.54Å; E333-R337 IonicContact OE1-NH2 2.63Å; E333-R337 PolarHBondContact OE1-NH2 2.88Å; E333-R337 IonicContact OE2-NH2 3.88Å; C334-R337 PolarHBondContact O-N 2.93Å; R337-Q340 PolarHBondContact O-N 2.96Å; R337-I384 HydrophobicContact CB-CD1 4.03Å; R337-I384 HydrophobicContact CB-CG2 4.38Å
338V94.3Very high92.7Very high0 Ų070.6 Ų70.60%035%0.347CS..Hα-helixtrans-68.9-39.6177.5174.10000111.4C334 Y335 Q336 Q340 L341 L347 L366 T381 I384 F385C334-V338 VanDerWaalsContact O-CG2 3.3Å; C334-V338 WeakPolarHBondContact O-CG2 3.34Å; C334-V338 PolarHBondContact O-N 2.97Å; Y335-V338 PolarHBondContact O-N 3.25Å; Q336-V338 VanDerWaalsContact C-N 3.33Å; Q336-V338 PolarHBondContact O-N 2.97Å; V338-Q340 PolarHBondContact O-N 2.97Å; V338-L341 HydrophobicContact CG1-CD1 4.45Å; V338-L341 WeakPolarHBondContact O-CB 3.34Å; V338-L341 WeakPolarHBondContact O-CG 3.4Å; V338-L341 PolarHBondContact O-N 3.32Å; V338-L347 HydrophobicContact CB-CD1 4.19Å; V338-L347 HydrophobicContact CG1-CD1 3.97Å; V338-L366 HydrophobicContact CG1-CD1 4.31Å; V338-L366 HydrophobicContact CG1-CD2 3.67Å; V338-T381 HydrophobicContact CG1-CG2 4.36Å; V338-T381 HydrophobicContact CG2-CG2 4.11Å; V338-I384 HydrophobicContact CG2-CD1 3.76Å; V338-I384 HydrophobicContact CG2-CG2 4.33Å; V338-F385 HydrophobicContact CG2-CE2 3.87Å; V338-F385 HydrophobicContact CG2-CZ 4.49Å
339Q94.4Very high92.9Very high96 Ų9671.5 Ų71.545%0.44935%0.348SS..Hα-helixtrans-66.3-23.9174.8-75.3177.8-17.600113.3Y335 Q336 L341 L347Y335-Q339 WeakPolarHBondContact O-CB 3.48Å; Y335-Q339 VanDerWaalsContact O-CG 3.32Å; Y335-Q339 WeakPolarHBondContact O-CG 3.32Å; Y335-Q339 PolarHBondContact O-N 3.2Å; Q336-Q339 PolarHBondContact O-N 3.03Å; Q339-L341 VanDerWaalsContact C-N 3.31Å; Q339-L347 HydrophobicContact CG-CB 4.3Å
340Q94.7Very high93.2Very high154 Ų15467.2 Ų67.272%0.7233%0.328SS*.THydrogen-bonded Turntrans-80.8-8.4175.8-72.6170.32.600113.5Q336 R337 V338Q336-Q340 VanDerWaalsContact O-CG 3.27Å; Q336-Q340 WeakPolarHBondContact O-CG 3.41Å; Q336-Q340 PolarHBondContact O-N 3.43Å; R337-Q340 PolarHBondContact O-N 2.96Å; V338-Q340 PolarHBondContact O-N 2.97Å
341L93.8Very high93.3Very high24 Ų2470.4 Ų70.413%0.12634%0.338CS..SBendtrans-66.9135.6176.8-64.6175.2000110.5V338 Q339 G343 V344 W376 I377 Q380 I384V338-L341 HydrophobicContact CG1-CD1 4.45Å; V338-L341 WeakPolarHBondContact O-CB 3.34Å; V338-L341 WeakPolarHBondContact O-CG 3.4Å; V338-L341 PolarHBondContact O-N 3.32Å; Q339-L341 VanDerWaalsContact C-N 3.31Å; L341-G343 PolarHBondContact O-N 3.23Å; L341-V344 HydrophobicContact CB-CB 4.47Å; L341-V344 HydrophobicContact CB-CG2 3.81Å; L341-V344 PolarHBondContact O-N 3.48Å; L341-V344 VanDerWaalsContact O-N 3.12Å; L341-W376 HydrophobicContact CB-CZ3 4.25Å; L341-W376 HydrophobicContact CD2-CH2 3.79Å; L341-W376 HydrophobicContact CD2-CZ3 4.12Å; L341-I377 HydrophobicContact CD1-CG2 4.45Å; L341-Q380 HydrophobicContact CD1-CB 3.92Å; L341-Q380 HydrophobicContact CD2-CB 4Å; L341-Q380 HydrophobicContact CD2-CG 4.38Å; L341-I384 HydrophobicContact CD1-CD1 4.39Å
342Q90.4Very high93.4Very high169 Ų16970.2 Ų70.279%0.7934%0.337SS*.THydrogen-bonded Turntrans-60.4127179-172176.60.100110.5
343G89.6Confident93.4Very high21 Ų2167.9 Ų67.922%0.21632%0.32CS..THydrogen-bonded Turntrans89.7-3.9-179.800000115.1L341 V368 A369L341-G343 PolarHBondContact O-N 3.23Å; G343-V368 CarbonylContact O-C 3.59Å; G343-V368 VanDerWaalsContact O-CA 3.29Å; G343-V368 WeakPolarHBondContact O-CA 3.08Å; G343-V368 WeakPolarHBondContact O-CG1 3.47Å; G343-A369 PolarHBondContact O-N 3.37Å
344V94.3Very high93.2Very high13 Ų1363.8 Ų63.88%0.07930%0.301CS..EExtended strand (participates in β ladder)trans-88.4119171.4-179.70000109.5L341 L366 I377L341-V344 HydrophobicContact CB-CB 4.47Å; L341-V344 HydrophobicContact CB-CG2 3.81Å; L341-V344 PolarHBondContact O-N 3.48Å; L341-V344 VanDerWaalsContact O-N 3.12Å; V344-L366 HydrophobicContact CG1-CD2 4.39Å; V344-I377 HydrophobicContact CG2-CD1 4.06Å; V344-I377 HydrophobicContact CG2-CG1 4.35Å; V344-I377 HydrophobicContact CG2-CG2 3.64Å
345Y92.6Very high92.8Very high142 Ų14264.1 Ų64.156%0.55730%0.303SS*.EExtended strand (participates in β ladder)trans-89.8-40.3176.3-67.6-44000112.7L367 A369 A400Y345-L367 PolarHBondContact N-O 2.75Å; Y345-A369 HydrophobicContact CE1-CB 4.42Å; Y345-A369 HydrophobicContact CE2-CB 3.7Å; Y345-A369 WeakPolarHBondContact OH-CB 3.42Å; Y345-A400 HydrophobicContact CD2-CB 3.86Å; Y345-A400 HydrophobicContact CE2-CB 3.78Å
346N92.8Very high92Very high64 Ų6461.9 Ų61.934%0.34230%0.295SS..EExtended strand (participates in β ladder)trans-154.2149.9-176.1-160.13.6000111.9L367N346-L367 HydrophobicContact CB-CB 4.06Å; N346-L367 HydrophobicContact CB-CD2 4.31Å; N346-L367 PolarHBondContact N-O 3.21Å; N346-L367 PolarHBondContact O-N 3.46Å
347L94.3Very high91Very high18 Ų1856.8 Ų56.89%0.09427%0.272CS..EExtended strand (participates in β ladder)trans-110.7124.6171-176.2157.2000107.9Y335 V338 Q339 P350 L366Y335-L347 HydrophobicContact CD1-CD1 3.85Å; Y335-L347 HydrophobicContact CD1-CD2 4.24Å; Y335-L347 HydrophobicContact CG-CD1 4.46Å; V338-L347 HydrophobicContact CB-CD1 4.19Å; V338-L347 HydrophobicContact CG1-CD1 3.97Å; Q339-L347 HydrophobicContact CG-CB 4.3Å; L347-P350 HydrophobicContact CD2-CB 4Å; L347-P350 HydrophobicContact CD2-CG 3.87Å; L347-L366 HydrophobicContact CB-CD2 4.13Å; L347-L366 HydrophobicContact CD1-CD2 4.17Å; L347-L366 HydrophobicContact CG-CD2 4.01Å
348Q93.3Very high90.2Very high73 Ų7356.6 Ų56.634%0.34128%0.278SS..EExtended strand (participates in β ladder)trans-125150.3-174.2-63.7-179.2-6.900111.2P350 K365Q348-P350 VanDerWaalsContact C-CD 3.47Å; Q348-K365 HydrophobicContact CB-CB 4.1Å; Q348-K365 PolarHBondContact N-O 2.87Å; Q348-K365 PolarHBondContact O-N 3.34Å
349E92.8Very high89.6Confident120 Ų12057.4 Ų57.456%0.56128%0.283SS*.EExtended strand (participates in β ladder)trans47.750.2172.8-58.9175.8-157.300115.2H351 K365E349-H351 PolarHBondContact O-N 2.81Å; E349-K365 HydrophobicContact CB-CD 4.44Å; E349-K365 HydrophobicContact CG-CD 4.49Å; E349-K365 IonicContact OE1-NZ 3.06Å; E349-K365 PolarHBondContact OE1-NZ 2.92Å; E349-K365 WeakPolarHBondContact OE2-CE 3.36Å; E349-K365 IonicContact OE2-NZ 2.68Å; E349-K365 PolarHBondContact OE2-NZ 3.28Å
350P93.8Very high89.5Confident54 Ų5454.6 Ų54.635%0.35127%0.268SS..EExtended strand (participates in β ladder)trans-66.3123.1172.627.5-30.9000109.8Y335 L347 Q348 F352Y335-P350 HydrophobicContact CE1-CB 3.83Å; Y335-P350 HydrophobicContact CE1-CG 4.43Å; L347-P350 HydrophobicContact CD2-CB 4Å; L347-P350 HydrophobicContact CD2-CG 3.87Å; Q348-P350 VanDerWaalsContact C-CD 3.47Å; P350-F352 HydrophobicContact CB-CD2 4.43Å; P350-F352 HydrophobicContact CB-CE2 3.89Å
351H93.6Very high89.3Confident90 Ų9047.2 Ų47.242%0.41723%0.234SC..EExtended strand (participates in β ladder)trans-132.6117.2175.1-176.272.1000109.7E349 W353 G362 T363E349-H351 PolarHBondContact O-N 2.81Å; H351-W353 AromaticContact CD2-CE3 3.34Å; H351-W353 AromaticContact CD2-CZ3 3.64Å; H351-W353 AromaticContact NE2-CE3 3.77Å; H351-G362 CarbonylContact O-C 3.52Å; H351-G362 WeakPolarHBondContact O-CA 3.48Å; H351-T363 HydrophobicContact CB-CG2 3.73Å; H351-T363 PolarHBondContact N-O 3.43Å; H351-T363 PolarHBondContact O-N 3.24Å
352F93.8Very high89.3Confident4 Ų446.1 Ų46.12%0.01823%0.228CC..EExtended strand (participates in β ladder)trans-122.4134.7-179.2-66.6-92.3000109.3T323 L331 Y335 P350 I361 G362 L364 F385 V390 L393T323-F352 WeakPolarHBondContact CA-O 3.36Å; T323-F352 HydrophobicContact CG2-CB 4.41Å; L331-F352 HydrophobicContact CD1-CB 4.42Å; L331-F352 HydrophobicContact CD1-CD2 4.08Å; L331-F352 HydrophobicContact CD1-CG 4.29Å; L331-F352 HydrophobicContact CD2-CD1 4.1Å; L331-F352 HydrophobicContact CD2-CD2 3.73Å; L331-F352 HydrophobicContact CD2-CE1 4.02Å; L331-F352 HydrophobicContact CD2-CE2 3.67Å; L331-F352 HydrophobicContact CD2-CG 3.96Å; L331-F352 HydrophobicContact CD2-CZ 3.82Å; Y335-F352 AromaticContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CE2 3.76Å; Y335-F352 HydrophobicContact CE1-CZ 4.3Å; Y335-F352 AromaticContact CZ-CE2 3.98Å; Y335-F352 WeakPolarHBondContact OH-CD2 3.47Å; Y335-F352 VanDerWaalsContact OH-CE2 3.26Å; Y335-F352 WeakPolarHBondContact OH-CE2 3.26Å; P350-F352 HydrophobicContact CB-CD2 4.43Å; P350-F352 HydrophobicContact CB-CE2 3.89Å; F352-I361 WeakPolarHBondContact CA-O 3.27Å; F352-G362 VanDerWaalsContact CD1-CA 3.44Å; F352-L364 HydrophobicContact CZ-CD2 4.3Å; F352-F385 AromaticContact CE1-CD1 3.79Å; F352-F385 HydrophobicContact CE1-CD1 3.79Å; F352-F385 AromaticContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE2-CE1 4.18Å; F352-F385 AromaticContact CZ-CD1 3.73Å; F352-F385 HydrophobicContact CZ-CD1 3.73Å; F352-F385 AromaticContact CZ-CE1 3.31Å; F352-F385 HydrophobicContact CZ-CE1 3.31Å; F352-F385 AromaticContact CZ-CZ 3.83Å; F352-F385 HydrophobicContact CZ-CZ 3.83Å; F352-V390 HydrophobicContact CD1-CG2 4.17Å; F352-V390 HydrophobicContact CE1-CG1 4.36Å; F352-V390 HydrophobicContact CE1-CG2 4.03Å; F352-L393 HydrophobicContact CE1-CD1 4.01Å; F352-L393 HydrophobicContact CZ-CD1 4.28Å
353W92.8Very high89.6Confident19 Ų1940.4 Ų40.47%0.07221%0.205CC..EExtended strand (participates in β ladder)trans-141.5160.6178.968.695.4000111.1Q321 H351 I361 T363Q321-W353 HydrophobicContact CB-CB 3.92Å; Q321-W353 HydrophobicContact CB-CG 4.44Å; H351-W353 AromaticContact CD2-CE3 3.34Å; H351-W353 AromaticContact CD2-CZ3 3.64Å; H351-W353 AromaticContact NE2-CE3 3.77Å; W353-I361 HydrophobicContact CD2-CB 4.21Å; W353-I361 HydrophobicContact CH2-CB 4.23Å; W353-I361 HydrophobicContact CH2-CG2 3.48Å; W353-I361 VanDerWaalsContact CH2-CG2 3.48Å; W353-I361 HydrophobicContact CZ2-CB 3.75Å; W353-I361 HydrophobicContact CZ2-CG2 3.27Å; W353-I361 HydrophobicContact CZ3-CG2 4.16Å; W353-I361 PolarHBondContact N-O 3.42Å; W353-I361 PolarHBondContact O-N 3.06Å; W353-T363 HydrophobicContact CZ3-CG2 3.99Å
354T89.2Confident89.9Confident13 Ų1339.4 Ų39.48%0.0820%0.195CC..EExtended strand (participates in β ladder)trans-90.7122.9174.5-50.80000108.9I318 P324 C356 Y360I318-T354 HydrophobicContact CG1-CG2 4.03Å; I318-T354 HydrophobicContact CG2-CG2 4.26Å; P324-T354 WeakPolarHBondContact CB-OG1 3.18Å; T354-C356 WeakPolarHBondContact CG2-O 3.45Å; T354-Y360 HydrophobicContact CG2-CD1 4.2Å; T354-Y360 HydrophobicContact CG2-CE1 4.22Å
355L85.2Confident90Very high10 Ų1041 Ų415%0.05220%0.2CC..EExtended strand (participates in β ladder)trans-81.1-50.5176-179.565000110.9Y98 V101 R102 V359 I361Y98-L355 HydrophobicContact CD1-CD2 4.22Å; Y98-L355 HydrophobicContact CG-CD1 4.26Å; Y98-L355 HydrophobicContact CG-CD2 4.42Å; V101-L355 HydrophobicContact CG2-CD2 3.61Å; V101-L355 HydrophobicContact CG2-CG 3.94Å; R102-L355 HydrophobicContact CG-CD1 4.17Å; R102-L355 VanDerWaalsContact CG-O 3.26Å; R102-L355 WeakPolarHBondContact CG-O 3.47Å; L355-V359 HydrophobicContact CB-CG1 4.13Å; L355-V359 HydrophobicContact CD2-CG1 4.33Å; L355-V359 PolarHBondContact N-O 2.92Å; L355-I361 HydrophobicContact CB-CD1 3.75Å; L355-I361 HydrophobicContact CB-CG1 4.08Å; L355-I361 HydrophobicContact CD1-CD1 4.42Å; L355-I361 HydrophobicContact CD2-CD1 3.6Å; L355-I361 HydrophobicContact CG-CD1 4.11Å
356C79.3Confident90.1Very high3 Ų334.3 Ų34.32%0.0217%0.174CC..EExtended strand (participates in β ladder)trans-150.2179.4170.8610000108V101 V105 T354 D358 V359V101-C356 HydrophobicContact CB-CB 4.24Å; V105-C356 HydrophobicContact CG2-CB 4.35Å; T354-C356 WeakPolarHBondContact CG2-O 3.45Å; C356-D358 PolarHBondContact O-N 3.31Å; C356-V359 PolarHBondContact O-N 2.69Å; C356-V359 VanDerWaalsContact SG-CB 3.56Å; C356-V359 WeakPolarHBondContact SG-CG2 3.48Å
357T72.8Confident90.2Very high11 Ų1133.4 Ų33.47%0.06717%0.169CC..THydrogen-bonded Turntrans-46.7121.5178.6-40.70000111.5S255 Q258 V359S255-T357 PolarHBondContact OG-OG1 2.95Å; Q258-T357 HydrophobicContact CG-CG2 3.89Å; Q258-T357 VanDerWaalsContact NE2-CG2 3.34Å; Q258-T357 VanDerWaalsContact OE1-CG2 3.26Å; Q258-T357 PolarHBondContact OE1-OG1 2.95Å; T357-V359 PolarHBondContact O-N 3Å; T357-V359 VanDerWaalsContact O-N 3.16Å
358D75.9Confident90.2Very high90 Ų9032.6 Ų32.648%0.48117%0.165SC..THydrogen-bonded Turntrans58.821179.5-52.3-38.2000115.8C356C356-D358 PolarHBondContact O-N 3.31Å
359V83.4Confident90.2Very high18 Ų1829.4 Ų29.411%0.10915%0.151CC..EExtended strand (participates in β ladder)trans-119.599.4172.6-178.80000109.3L355 C356 T357L355-V359 HydrophobicContact CB-CG1 4.13Å; L355-V359 HydrophobicContact CD2-CG1 4.33Å; L355-V359 PolarHBondContact N-O 2.92Å; C356-V359 PolarHBondContact O-N 2.69Å; C356-V359 VanDerWaalsContact SG-CB 3.56Å; C356-V359 WeakPolarHBondContact SG-CG2 3.48Å; T357-V359 PolarHBondContact O-N 3Å; T357-V359 VanDerWaalsContact O-N 3.16Å
360Y90.5Very high90.1Very high36 Ų3627 Ų2714%0.14115%0.146CC..EExtended strand (participates in β ladder)trans-98.1136.1179-46.3-46.5000111P324 S326 L327 T354 G389 R391P324-Y360 HydrophobicContact CB-CD1 3.59Å; P324-Y360 HydrophobicContact CB-CE1 3.51Å; P324-Y360 HydrophobicContact CB-CG 4.29Å; P324-Y360 HydrophobicContact CG-CD1 3.71Å; P324-Y360 HydrophobicContact CG-CE1 4.15Å; P324-Y360 HydrophobicContact CG-CG 4.03Å; S326-Y360 PolarHBondContact OG-OH 3.3Å; L327-Y360 HydrophobicContact CD1-CD2 3.85Å; L327-Y360 HydrophobicContact CD1-CG 3.91Å; L327-Y360 HydrophobicContact CD2-CD2 4.06Å; L327-Y360 HydrophobicContact CD2-CE2 4.27Å; L327-Y360 HydrophobicContact CG-CD2 4.02Å; L327-Y360 HydrophobicContact CG-CE2 4.32Å; L327-Y360 HydrophobicContact CG-CG 4.4Å; T354-Y360 HydrophobicContact CG2-CD1 4.2Å; T354-Y360 HydrophobicContact CG2-CE1 4.22Å; Y360-G389 WeakPolarHBondContact CD2-O 3.37Å; Y360-R391 PolarHBondContact O-N 2.96Å
361I92.3Very high89.9Confident0 Ų031.3 Ų31.30%017%0.166CC..EExtended strand (participates in β ladder)trans-122.3141.6177.5-54.3-170.4000108.5Y98 F352 W353 L355 Q392 Y394Y98-I361 HydrophobicContact CD1-CD1 3.84Å; Y98-I361 HydrophobicContact CE1-CD1 3.67Å; F352-I361 WeakPolarHBondContact CA-O 3.27Å; W353-I361 HydrophobicContact CD2-CB 4.21Å; W353-I361 HydrophobicContact CH2-CB 4.23Å; W353-I361 HydrophobicContact CH2-CG2 3.48Å; W353-I361 VanDerWaalsContact CH2-CG2 3.48Å; W353-I361 HydrophobicContact CZ2-CB 3.75Å; W353-I361 HydrophobicContact CZ2-CG2 3.27Å; W353-I361 HydrophobicContact CZ3-CG2 4.16Å; W353-I361 PolarHBondContact N-O 3.42Å; W353-I361 PolarHBondContact O-N 3.06Å; L355-I361 HydrophobicContact CB-CD1 3.75Å; L355-I361 HydrophobicContact CB-CG1 4.08Å; L355-I361 HydrophobicContact CD1-CD1 4.42Å; L355-I361 HydrophobicContact CD2-CD1 3.6Å; L355-I361 HydrophobicContact CG-CD1 4.11Å; I361-Q392 CarbonylContact C-O 3.53Å; I361-Q392 VanDerWaalsContact CA-O 3.28Å; I361-Q392 WeakPolarHBondContact CA-O 3.47Å; I361-Q392 HydrophobicContact CG1-CB 4.23Å; I361-Q392 HydrophobicContact CG2-CB 4.31Å; I361-Q392 WeakPolarHBondContact CG2-O 3.41Å; I361-Y394 HydrophobicContact CG2-CD2 4.35Å; I361-Y394 HydrophobicContact CG2-CE2 4.22Å
362G93.8Very high89.7Confident0 Ų028 Ų280%015%0.154CC..EExtended strand (participates in β ladder)trans-131150.7177.500000112.5H351 F352 Q392 L393 Y394H351-G362 CarbonylContact O-C 3.52Å; H351-G362 WeakPolarHBondContact O-CA 3.48Å; F352-G362 VanDerWaalsContact CD1-CA 3.44Å; G362-Q392 PolarHBondContact N-O 3.25Å; G362-L393 CarbonylContact O-C 3.11Å; G362-L393 WeakPolarHBondContact O-CA 3.34Å; G362-Y394 PolarHBondContact O-N 3.11Å
363T95.3Very high89.7Confident50 Ų5032.6 Ų32.631%0.30718%0.179SC..EExtended strand (participates in β ladder)trans-130.3143.4162.3-175.40000109.3H351 W353 Y394H351-T363 HydrophobicContact CB-CG2 3.73Å; H351-T363 PolarHBondContact N-O 3.43Å; H351-T363 PolarHBondContact O-N 3.24Å; W353-T363 HydrophobicContact CZ3-CG2 3.99Å; T363-Y394 CarbonylContact C-O 3.59Å; T363-Y394 VanDerWaalsContact CA-O 3.27Å; T363-Y394 WeakPolarHBondContact CA-O 3.21Å
364L95.8Very high89.7Confident0 Ų034.6 Ų34.60%019%0.193CC..EExtended strand (participates in β ladder)trans-153.4158174.662.488.7000110.8F352 L366 T381 F385 L393 Y394 V395 Q396F352-L364 HydrophobicContact CZ-CD2 4.3Å; L364-L366 HydrophobicContact CD1-CD1 4.14Å; L364-L366 HydrophobicContact CD1-CD2 3.59Å; L364-L366 HydrophobicContact CD1-CG 3.53Å; L364-T381 HydrophobicContact CD1-CG2 4.37Å; L364-T381 HydrophobicContact CD2-CG2 4.33Å; L364-F385 HydrophobicContact CD2-CD2 4.06Å; L364-F385 HydrophobicContact CD2-CE2 3.31Å; L364-F385 HydrophobicContact CD2-CZ 3.63Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 4.37Å; L364-L393 HydrophobicContact CG-CD1 4.41Å; L364-Y394 PolarHBondContact N-O 3.03Å; L364-V395 HydrophobicContact CD1-CB 4.42Å; L364-V395 HydrophobicContact CD1-CG1 3.84Å; L364-V395 HydrophobicContact CD1-CG2 4.13Å; L364-V395 HydrophobicContact CG-CG2 4.33Å; L364-V395 WeakPolarHBondContact O-CA 3.39Å; L364-Q396 PolarHBondContact O-N 3.01Å
365K96.1Very high89.8Confident46 Ų4644.1 Ų44.120%0.223%0.228CC..EExtended strand (participates in β ladder)trans-111.9136.1174.6-59.5-175.9175.8165.70110Q348 E349 Q396Q348-K365 HydrophobicContact CB-CB 4.1Å; Q348-K365 PolarHBondContact N-O 2.87Å; Q348-K365 PolarHBondContact O-N 3.34Å; E349-K365 HydrophobicContact CB-CD 4.44Å; E349-K365 HydrophobicContact CG-CD 4.49Å; E349-K365 IonicContact OE1-NZ 3.06Å; E349-K365 PolarHBondContact OE1-NZ 2.92Å; E349-K365 WeakPolarHBondContact OE2-CE 3.36Å; E349-K365 IonicContact OE2-NZ 2.68Å; E349-K365 PolarHBondContact OE2-NZ 3.28Å; K365-Q396 CarbonylContact C-O 3.57Å; K365-Q396 WeakPolarHBondContact CA-O 3.14Å; K365-Q396 HydrophobicContact CG-CB 4.13Å
366L95.5Very high90.2Very high1 Ų148.9 Ų48.91%0.00525%0.245CC..EExtended strand (participates in β ladder)trans-116.5127.8175.4-62.2-179.6000110V338 V344 L347 L364 V368 I377 T381 V395 Q396 D398V338-L366 HydrophobicContact CG1-CD1 4.31Å; V338-L366 HydrophobicContact CG1-CD2 3.67Å; V344-L366 HydrophobicContact CG1-CD2 4.39Å; L347-L366 HydrophobicContact CB-CD2 4.13Å; L347-L366 HydrophobicContact CD1-CD2 4.17Å; L347-L366 HydrophobicContact CG-CD2 4.01Å; L364-L366 HydrophobicContact CD1-CD1 4.14Å; L364-L366 HydrophobicContact CD1-CD2 3.59Å; L364-L366 HydrophobicContact CD1-CG 3.53Å; L366-V368 HydrophobicContact CB-CG2 3.99Å; L366-I377 HydrophobicContact CD1-CG2 3.91Å; L366-T381 HydrophobicContact CD1-CG2 4.26Å; L366-V395 HydrophobicContact CD1-CG1 3.68Å; L366-V395 HydrophobicContact CG-CG1 3.95Å; L366-Q396 PolarHBondContact N-O 2.98Å; L366-D398 PolarHBondContact O-N 2.99Å
367L94.9Very high91Very high46 Ų4648.8 Ų48.824%0.24124%0.244CC..EExtended strand (participates in β ladder)trans-91116.4168.2-17567.6000108.5Y345 N346 D398 A400Y345-L367 PolarHBondContact N-O 2.75Å; N346-L367 HydrophobicContact CB-CB 4.06Å; N346-L367 HydrophobicContact CB-CD2 4.31Å; N346-L367 PolarHBondContact N-O 3.21Å; N346-L367 PolarHBondContact O-N 3.46Å; L367-D398 CarbonylContact C-O 3.59Å; L367-D398 WeakPolarHBondContact CA-O 3.45Å; L367-D398 HydrophobicContact CD1-CB 4.4Å; L367-A400 HydrophobicContact CD1-CB 4.19Å; L367-A400 HydrophobicContact CG-CB 4.43Å
368V95.1Very high92Very high1 Ų151.4 Ų51.41%0.00626%0.257CS..EExtended strand (participates in β ladder)trans-121.1149.3-170.4178.90000110.7G343 L366 A372 I377 I397 D398 T399 A400G343-V368 CarbonylContact O-C 3.59Å; G343-V368 VanDerWaalsContact O-CA 3.29Å; G343-V368 WeakPolarHBondContact O-CA 3.08Å; G343-V368 WeakPolarHBondContact O-CG1 3.47Å; L366-V368 HydrophobicContact CB-CG2 3.99Å; V368-A372 HydrophobicContact CG1-CB 3.69Å; V368-I377 HydrophobicContact CG1-CD1 3.45Å; V368-I377 VanDerWaalsContact CG1-CD1 3.45Å; V368-I377 HydrophobicContact CG2-CD1 4.2Å; V368-I397 HydrophobicContact CB-CG2 3.97Å; V368-I397 HydrophobicContact CG2-CG2 3.68Å; V368-D398 PolarHBondContact N-O 2.9Å; V368-T399 WeakPolarHBondContact O-CA 3.46Å; V368-A400 PolarHBondContact O-N 3.18Å
369A93.4Very high92.9Very high5 Ų549.9 Ų49.94%0.04125%0.254CS..  trans-64.1146.9175.800000112G343 Y345 D371 A372G343-A369 PolarHBondContact O-N 3.37Å; Y345-A369 HydrophobicContact CE1-CB 4.42Å; Y345-A369 HydrophobicContact CE2-CB 3.7Å; Y345-A369 WeakPolarHBondContact OH-CB 3.42Å; A369-D371 VanDerWaalsContact CB-OD1 3.31Å; A369-D371 WeakPolarHBondContact CB-OD1 3.44Å; A369-D371 PolarHBondContact O-N 2.97Å; A369-A372 HydrophobicContact CB-CB 4.14Å; A369-A372 PolarHBondContact O-N 3.49Å
370P90Very high93.4Very high70 Ų7052 Ų5246%0.45526%0.263SS..THydrogen-bonded Turntrans-62.3-25.5-177.1-19.731.1000114.3M402P370-M402 HydrophobicContact CB-CG 4.37Å; P370-M402 HydrophobicContact CG-CG 3.9Å
371D90.3Very high93.6Very high145 Ų14550.3 Ų50.378%0.77526%0.256SS*.THydrogen-bonded Turntrans-98.3-2.9-176.563.6-36.1000113.7A369A369-D371 VanDerWaalsContact CB-OD1 3.31Å; A369-D371 WeakPolarHBondContact CB-OD1 3.44Å; A369-D371 PolarHBondContact O-N 2.97Å
372A89.3Confident93.8Very high20 Ų2053 Ų5317%0.16527%0.269CS..SBendtrans-82.2148.4-175.900000113.4V368 A369 T374 I377V368-A372 HydrophobicContact CG1-CB 3.69Å; A369-A372 HydrophobicContact CB-CB 4.14Å; A369-A372 PolarHBondContact O-N 3.49Å; A372-T374 PolarHBondContact O-N 3.42Å; A372-I377 HydrophobicContact CB-CD1 3.96Å
373D92.8Very high93.8Very high101 Ų10156.7 Ų56.754%0.5429%0.288SS..  trans-73.697.8175.4-175.1-4.7000111.4R375 W376 I377D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.39Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 PolarHBondContact OD1-N 3.41Å; D373-W376 HydrophobicContact CB-CB 4.01Å; D373-W376 PolarHBondContact O-N 3.08Å; D373-W376 PolarHBondContact OD1-N 3.06Å; D373-I377 WeakPolarHBondContact O-CG1 3.41Å; D373-I377 PolarHBondContact O-N 2.92Å; D373-I377 VanDerWaalsContact O-N 3.1Å
374T92.3Very high93.8Very high61 Ų6155.1 Ų55.137%0.37428%0.278SS..Hα-helixtrans-56.2-36.5178.6-42.10000113A372 L378 I397A372-T374 PolarHBondContact O-N 3.42Å; T374-L378 VanDerWaalsContact O-CB 3.3Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 PolarHBondContact O-N 3.48Å; T374-I397 HydrophobicContact CG2-CB 4.2Å; T374-I397 HydrophobicContact CG2-CD1 3.3Å; T374-I397 HydrophobicContact CG2-CG1 4.31Å; T374-I397 HydrophobicContact CG2-CG2 3.91Å
375R92.3Very high93.7Very high213 Ų21355.2 Ų55.280%0.80428%0.278SS*.Hα-helixtrans-73-41.3-176.9-67.7-178.6178.31761110.9D373 S379D373-R375 VanDerWaalsContact C-N 3.26Å; D373-R375 PolarHBondContact O-N 3.39Å; D373-R375 WeakPolarHBondContact OD1-CB 3.28Å; D373-R375 PolarHBondContact OD1-N 3.41Å; R375-S379 WeakPolarHBondContact O-CB 3.31Å; R375-S379 PolarHBondContact O-N 3.35Å
376W94.2Very high93.5Very high110 Ų11056.9 Ų56.942%0.41729%0.292SS..Hα-helixtrans-62.5-48.6175.8-179.287.4000111L341 D373 L378 S379 Q380L341-W376 HydrophobicContact CB-CZ3 4.25Å; L341-W376 HydrophobicContact CD2-CH2 3.79Å; L341-W376 HydrophobicContact CD2-CZ3 4.12Å; D373-W376 HydrophobicContact CB-CB 4.01Å; D373-W376 PolarHBondContact O-N 3.08Å; D373-W376 PolarHBondContact OD1-N 3.06Å; W376-L378 VanDerWaalsContact C-N 3.35Å; W376-L378 PolarHBondContact O-N 2.93Å; W376-S379 PolarHBondContact O-N 3.44Å; W376-Q380 HydrophobicContact CD2-CG 3.97Å; W376-Q380 HydrophobicContact CE3-CG 4.37Å; W376-Q380 HydrophobicContact CH2-CG 4.16Å; W376-Q380 HydrophobicContact CZ2-CG 3.73Å; W376-Q380 HydrophobicContact CZ3-CG 4.46Å; W376-Q380 WeakPolarHBondContact O-CG 3.35Å; W376-Q380 PolarHBondContact O-N 3.46Å
377I94.3Very high93.3Very high1 Ų163.6 Ų63.61%0.00532%0.324CS..Hα-helixtrans-59-46178.4-66.9171.3000111.2L341 V344 L366 V368 A372 D373 Q380 T381L341-I377 HydrophobicContact CD1-CG2 4.45Å; V344-I377 HydrophobicContact CG2-CD1 4.06Å; V344-I377 HydrophobicContact CG2-CG1 4.35Å; V344-I377 HydrophobicContact CG2-CG2 3.64Å; L366-I377 HydrophobicContact CD1-CG2 3.91Å; V368-I377 HydrophobicContact CG1-CD1 3.45Å; V368-I377 VanDerWaalsContact CG1-CD1 3.45Å; V368-I377 HydrophobicContact CG2-CD1 4.2Å; A372-I377 HydrophobicContact CB-CD1 3.96Å; D373-I377 WeakPolarHBondContact O-CG1 3.41Å; D373-I377 PolarHBondContact O-N 2.92Å; D373-I377 VanDerWaalsContact O-N 3.1Å; I377-Q380 PolarHBondContact O-N 3.36Å; I377-T381 WeakPolarHBondContact O-CB 3.43Å; I377-T381 PolarHBondContact O-N 2.92Å; I377-T381 PolarHBondContact O-OG1 3.48Å
378L94.4Very high93Very high65 Ų6563.5 Ų63.534%0.3433%0.325SS..Hα-helixtrans-60.8-48.5178.2-169.4147.7000110.6T374 W376 Q380 T381 H382 I397T374-L378 VanDerWaalsContact O-CB 3.3Å; T374-L378 WeakPolarHBondContact O-CB 3.41Å; T374-L378 PolarHBondContact O-N 3.48Å; W376-L378 VanDerWaalsContact C-N 3.35Å; W376-L378 PolarHBondContact O-N 2.93Å; L378-Q380 PolarHBondContact O-N 3.41Å; L378-T381 PolarHBondContact O-N 3.17Å; L378-H382 VanDerWaalsContact CD2-CD2 3.41Å; L378-H382 WeakPolarHBondContact CD2-CD2 3.36Å; L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 PolarHBondContact O-N 3.48Å; L378-I397 HydrophobicContact CB-CD1 4.07Å; L378-I397 HydrophobicContact CD1-CD1 3.93Å; L378-I397 HydrophobicContact CG-CD1 4.49Å
379S94.7Very high92.6Very high59 Ų5965 Ų6541%0.41334%0.34SS..Hα-helixtrans-60.4-42.1178.2-173.60000112.6R375 W376 N383R375-S379 WeakPolarHBondContact O-CB 3.31Å; R375-S379 PolarHBondContact O-N 3.35Å; W376-S379 PolarHBondContact O-N 3.44Å; S379-N383 PolarHBondContact O-N 3Å; S379-N383 PolarHBondContact O-ND2 3.46Å
380Q94.9Very high92.5Very high62 Ų6264.9 Ų64.929%0.2934%0.339SS..Hα-helixtrans-67.1-41.6178.1-69.2-52.7-46.400111.7L341 W376 I377 L378 H382 N383 I384L341-Q380 HydrophobicContact CD1-CB 3.92Å; L341-Q380 HydrophobicContact CD2-CB 4Å; L341-Q380 HydrophobicContact CD2-CG 4.38Å; W376-Q380 HydrophobicContact CD2-CG 3.97Å; W376-Q380 HydrophobicContact CE3-CG 4.37Å; W376-Q380 HydrophobicContact CH2-CG 4.16Å; W376-Q380 HydrophobicContact CZ2-CG 3.73Å; W376-Q380 HydrophobicContact CZ3-CG 4.46Å; W376-Q380 WeakPolarHBondContact O-CG 3.35Å; W376-Q380 PolarHBondContact O-N 3.46Å; I377-Q380 PolarHBondContact O-N 3.36Å; L378-Q380 PolarHBondContact O-N 3.41Å; Q380-H382 PolarHBondContact O-N 3.13Å; Q380-N383 PolarHBondContact O-N 3.49Å; Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.37Å; Q380-I384 PolarHBondContact O-N 3.02Å
381T94.8Very high92.4Very high0 Ų067 Ų670%034%0.338CS..Hα-helixtrans-62.4-45.9177.8-59.80000110.5V338 L364 L366 I377 L378 N383 I384 F385 L393 V395V338-T381 HydrophobicContact CG1-CG2 4.36Å; V338-T381 HydrophobicContact CG2-CG2 4.11Å; L364-T381 HydrophobicContact CD1-CG2 4.37Å; L364-T381 HydrophobicContact CD2-CG2 4.33Å; L366-T381 HydrophobicContact CD1-CG2 4.26Å; I377-T381 WeakPolarHBondContact O-CB 3.43Å; I377-T381 PolarHBondContact O-N 2.92Å; I377-T381 PolarHBondContact O-OG1 3.48Å; L378-T381 PolarHBondContact O-N 3.17Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; T381-I384 PolarHBondContact O-N 3.27Å; T381-F385 HydrophobicContact CG2-CD2 3.92Å; T381-F385 HydrophobicContact CG2-CE2 3.88Å; T381-F385 VanDerWaalsContact O-CD2 3.3Å; T381-F385 WeakPolarHBondContact O-CD2 3.46Å; T381-F385 PolarHBondContact O-N 2.94Å; T381-L393 HydrophobicContact CG2-CD2 3.99Å; T381-V395 HydrophobicContact CG2-CG2 4Å
382H94.9Very high92.3Very high58 Ų5863.7 Ų63.727%0.26932%0.318SS..Hα-helixtrans-57.7-44.5173.7-87.4-93.6000112.1L378 Q380 I384 F385 T386 L393L378-H382 VanDerWaalsContact CD2-CD2 3.41Å; L378-H382 WeakPolarHBondContact CD2-CD2 3.36Å; L378-H382 PolarHBondContact O-CD2 3.37Å; L378-H382 PolarHBondContact O-N 3.48Å; Q380-H382 PolarHBondContact O-N 3.13Å; H382-I384 PolarHBondContact O-N 2.89Å; H382-F385 PolarHBondContact O-N 2.91Å; H382-T386 VanDerWaalsContact O-CB 3.26Å; H382-T386 WeakPolarHBondContact O-CB 3.01Å; H382-T386 PolarHBondContact O-N 3.2Å; H382-T386 PolarHBondContact O-OG1 2.75Å; H382-L393 PolarHBondContact CE1-O 3.07Å
383N94.7Very high92.6Very high77 Ų7763.4 Ų63.441%0.41231%0.314SS..Hα-helixtrans-61.2-44.4178-76.2-24.1000112.4S379 Q380 T381 F385 T386 Q387S379-N383 PolarHBondContact O-N 3Å; S379-N383 PolarHBondContact O-ND2 3.46Å; Q380-N383 PolarHBondContact O-N 3.49Å; T381-N383 VanDerWaalsContact C-N 3.33Å; T381-N383 PolarHBondContact O-N 3.19Å; N383-F385 PolarHBondContact O-N 3.02Å; N383-T386 PolarHBondContact O-N 2.88Å; N383-Q387 WeakPolarHBondContact O-CG 3.35Å; N383-Q387 PolarHBondContact O-N 3.07Å; N383-Q387 VanDerWaalsContact O-N 3.09Å
384I94.4Very high92.6Very high17 Ų1763.5 Ų63.59%0.08731%0.307CS..Hα-helixtrans-58.8-49.4179.8-68.8162.6000110.8C334 R337 V338 L341 Q380 T381 H382 Q387C334-I384 HydrophobicContact CB-CG2 3.92Å; R337-I384 HydrophobicContact CB-CD1 4.03Å; R337-I384 HydrophobicContact CB-CG2 4.38Å; V338-I384 HydrophobicContact CG2-CD1 3.76Å; V338-I384 HydrophobicContact CG2-CG2 4.33Å; L341-I384 HydrophobicContact CD1-CD1 4.39Å; Q380-I384 VanDerWaalsContact O-CG1 3.31Å; Q380-I384 WeakPolarHBondContact O-CG1 3.37Å; Q380-I384 PolarHBondContact O-N 3.02Å; T381-I384 PolarHBondContact O-N 3.27Å; H382-I384 PolarHBondContact O-N 2.89Å; I384-Q387 PolarHBondContact O-N 2.99Å
385F94.2Very high92.8Very high1 Ų161.8 Ų61.80%0.00430%0.297CS..Hα-helixtrans-75.3-30.4-178.4-74.7-74.5000113.2L331 C334 Y335 V338 F352 L364 T381 H382 N383 Q387 V388 G389 V390 L393L331-F385 HydrophobicContact CD2-CD1 4.4Å; L331-F385 HydrophobicContact CD2-CE1 3.93Å; C334-F385 HydrophobicContact CB-CD1 4.07Å; C334-F385 HydrophobicContact CB-CE1 3.54Å; C334-F385 HydrophobicContact CB-CZ 3.9Å; Y335-F385 HydrophobicContact CD1-CE1 4.36Å; Y335-F385 AromaticContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CD1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CE1 4.05Å; Y335-F385 AromaticContact CE1-CZ 3.95Å; Y335-F385 HydrophobicContact CE1-CZ 3.95Å; V338-F385 HydrophobicContact CG2-CE2 3.87Å; V338-F385 HydrophobicContact CG2-CZ 4.49Å; F352-F385 AromaticContact CE1-CD1 3.79Å; F352-F385 HydrophobicContact CE1-CD1 3.79Å; F352-F385 AromaticContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE1-CE1 3.87Å; F352-F385 HydrophobicContact CE2-CE1 4.18Å; F352-F385 AromaticContact CZ-CD1 3.73Å; F352-F385 HydrophobicContact CZ-CD1 3.73Å; F352-F385 AromaticContact CZ-CE1 3.31Å; F352-F385 HydrophobicContact CZ-CE1 3.31Å; F352-F385 AromaticContact CZ-CZ 3.83Å; F352-F385 HydrophobicContact CZ-CZ 3.83Å; L364-F385 HydrophobicContact CD2-CD2 4.06Å; L364-F385 HydrophobicContact CD2-CE2 3.31Å; L364-F385 HydrophobicContact CD2-CZ 3.63Å; T381-F385 HydrophobicContact CG2-CD2 3.92Å; T381-F385 HydrophobicContact CG2-CE2 3.88Å; T381-F385 VanDerWaalsContact O-CD2 3.3Å; T381-F385 WeakPolarHBondContact O-CD2 3.46Å; T381-F385 PolarHBondContact O-N 2.94Å; H382-F385 PolarHBondContact O-N 2.91Å; N383-F385 PolarHBondContact O-N 3.02Å; F385-Q387 VanDerWaalsContact C-N 3.29Å; F385-Q387 PolarHBondContact O-N 3.29Å; F385-V388 PolarHBondContact O-N 3.45Å; F385-G389 PolarHBondContact O-N 3.49Å; F385-V390 HydrophobicContact CB-CB 4.01Å; F385-V390 HydrophobicContact CB-CG2 4.11Å; F385-V390 HydrophobicContact CD1-CG2 4.24Å; F385-V390 WeakPolarHBondContact O-CB 3.43Å; F385-V390 PolarHBondContact O-N 3.23Å; F385-V390 VanDerWaalsContact O-N 3.09Å; F385-L393 HydrophobicContact CB-CD2 4.04Å; F385-L393 HydrophobicContact CD2-CD1 4.31Å; F385-L393 HydrophobicContact CD2-CD2 3.57Å; F385-L393 HydrophobicContact CE2-CD2 4.38Å; F385-L393 HydrophobicContact CG-CD1 4.37Å; F385-L393 HydrophobicContact CG-CD2 4.07Å
386T92.2Very high92.9Very high81 Ų8156.1 Ų56.150%0.49728%0.279SS..Hα-helixtrans-64.8-35.5175.5-56.20000111.2H382 N383 V388 G389H382-T386 VanDerWaalsContact O-CB 3.26Å; H382-T386 WeakPolarHBondContact O-CB 3.01Å; H382-T386 PolarHBondContact O-N 3.2Å; H382-T386 PolarHBondContact O-OG1 2.75Å; N383-T386 PolarHBondContact O-N 2.88Å; T386-V388 PolarHBondContact O-N 3.17Å; T386-G389 PolarHBondContact O-N 3.07Å
387Q90.8Very high92.9Very high142 Ų14252.8 Ų52.866%0.66427%0.269SS*.Hα-helixtrans-61-29.1175.9-75.7172.9-2.800113.4N383 I384 F385 G389N383-Q387 WeakPolarHBondContact O-CG 3.35Å; N383-Q387 PolarHBondContact O-N 3.07Å; N383-Q387 VanDerWaalsContact O-N 3.09Å; I384-Q387 PolarHBondContact O-N 2.99Å; F385-Q387 VanDerWaalsContact C-N 3.29Å; F385-Q387 PolarHBondContact O-N 3.29Å; Q387-G389 VanDerWaalsContact C-N 3.32Å
388V88.6Confident92.9Very high44 Ų4455.5 Ų55.527%0.26728%0.284SS..THydrogen-bonded Turntrans-91.81.9178.8-163.50000111.6L327 A330 C334 F385 T386L327-V388 HydrophobicContact CD2-CB 4.32Å; L327-V388 HydrophobicContact CD2-CG1 3.54Å; L327-V388 WeakPolarHBondContact CD2-O 3.29Å; A330-V388 HydrophobicContact CB-CG1 3.36Å; C334-V388 WeakPolarHBondContact SG-CG2 3.44Å; F385-V388 PolarHBondContact O-N 3.45Å; T386-V388 PolarHBondContact O-N 3.17Å
389G87.3Confident92.7Very high32 Ų3257 Ų5733%0.3330%0.296SS..THydrogen-bonded Turntrans93.711.3175.800000114.9Y360 F385 T386 Q387 R391Y360-G389 WeakPolarHBondContact CD2-O 3.37Å; F385-G389 PolarHBondContact O-N 3.49Å; T386-G389 PolarHBondContact O-N 3.07Å; Q387-G389 VanDerWaalsContact C-N 3.32Å; G389-R391 PolarHBondContact O-N 2.98Å
390V91.1Very high92.3Very high3 Ų355.3 Ų55.32%0.01829%0.285CS..EExtended strand (participates in β ladder)trans-70.3110.5168.8-177.30000108.5L327 F352 F385 L393L327-V390 HydrophobicContact CD1-CG2 3.78Å; F352-V390 HydrophobicContact CD1-CG2 4.17Å; F352-V390 HydrophobicContact CE1-CG1 4.36Å; F352-V390 HydrophobicContact CE1-CG2 4.03Å; F385-V390 HydrophobicContact CB-CB 4.01Å; F385-V390 HydrophobicContact CB-CG2 4.11Å; F385-V390 HydrophobicContact CD1-CG2 4.24Å; F385-V390 WeakPolarHBondContact O-CB 3.43Å; F385-V390 PolarHBondContact O-N 3.23Å; F385-V390 VanDerWaalsContact O-N 3.09Å; V390-L393 HydrophobicContact CG1-CB 4.32Å; V390-L393 HydrophobicContact CG1-CD1 4.48Å
391R86.9Confident91.4Very high114 Ų11457.1 Ų57.143%0.4331%0.311SS..EExtended strand (participates in β ladder)trans-76.6-34.7-176.4-79.5-178.8174.2-135.6-7.1112.9Q249 Y360 G389Q249-R391 PolarHBondContact O-NH2 3.1Å; Y360-R391 PolarHBondContact O-N 2.96Å; G389-R391 PolarHBondContact O-N 2.98Å
392Q90.1Very high89.6Confident77 Ų7768.5 Ų68.536%0.3637%0.367SS..EExtended strand (participates in β ladder)trans-137.2114.7-175.1-166.8163.8-22.200109.3I361 G362 Y394I361-Q392 CarbonylContact C-O 3.53Å; I361-Q392 VanDerWaalsContact CA-O 3.28Å; I361-Q392 WeakPolarHBondContact CA-O 3.47Å; I361-Q392 HydrophobicContact CG1-CB 4.23Å; I361-Q392 HydrophobicContact CG2-CB 4.31Å; I361-Q392 WeakPolarHBondContact CG2-O 3.41Å; G362-Q392 PolarHBondContact N-O 3.25Å; Q392-Y394 HydrophobicContact CG-CE2 3.9Å; Q392-Y394 PolarHBondContact NE2-OH 3.09Å
393L94.1Very high89.3Confident13 Ų1369.1 Ų69.17%0.06837%0.372CS..EExtended strand (participates in β ladder)trans-117.3134.5179.7-175.872.5000109.2F352 G362 L364 T381 H382 F385 V390 V395F352-L393 HydrophobicContact CE1-CD1 4.01Å; F352-L393 HydrophobicContact CZ-CD1 4.28Å; G362-L393 CarbonylContact O-C 3.11Å; G362-L393 WeakPolarHBondContact O-CA 3.34Å; L364-L393 HydrophobicContact CD2-CD1 3.91Å; L364-L393 HydrophobicContact CD2-CD2 4.37Å; L364-L393 HydrophobicContact CG-CD1 4.41Å; T381-L393 HydrophobicContact CG2-CD2 3.99Å; H382-L393 PolarHBondContact CE1-O 3.07Å; F385-L393 HydrophobicContact CB-CD2 4.04Å; F385-L393 HydrophobicContact CD2-CD1 4.31Å; F385-L393 HydrophobicContact CD2-CD2 3.57Å; F385-L393 HydrophobicContact CE2-CD2 4.38Å; F385-L393 HydrophobicContact CG-CD1 4.37Å; F385-L393 HydrophobicContact CG-CD2 4.07Å; V390-L393 HydrophobicContact CG1-CB 4.32Å; V390-L393 HydrophobicContact CG1-CD1 4.48Å; L393-V395 HydrophobicContact CD2-CG2 3.53Å; L393-V395 HydrophobicContact CG-CG2 3.78Å
394Y94.3Very high89Confident104 Ų10468.6 Ų68.641%0.40837%0.37SS..EExtended strand (participates in β ladder)trans-111.1118.4171-65.5-81.5000109.2Y98 I361 G362 T363 L364 Q392Y98-Y394 HydrophobicContact CE1-CE2 4.41Å; I361-Y394 HydrophobicContact CG2-CD2 4.35Å; I361-Y394 HydrophobicContact CG2-CE2 4.22Å; G362-Y394 PolarHBondContact O-N 3.11Å; T363-Y394 CarbonylContact C-O 3.59Å; T363-Y394 VanDerWaalsContact CA-O 3.27Å; T363-Y394 WeakPolarHBondContact CA-O 3.21Å; L364-Y394 PolarHBondContact N-O 3.03Å; Q392-Y394 HydrophobicContact CG-CE2 3.9Å; Q392-Y394 PolarHBondContact NE2-OH 3.09Å
395V95.4Very high88.7Confident25 Ų2571.5 Ų71.515%0.15239%0.386CS..EExtended strand (participates in β ladder)trans-113.2114.8-179.6-176.40000108.3L364 L366 T381 L393 I397L364-V395 HydrophobicContact CD1-CB 4.42Å; L364-V395 HydrophobicContact CD1-CG1 3.84Å; L364-V395 HydrophobicContact CD1-CG2 4.13Å; L364-V395 HydrophobicContact CG-CG2 4.33Å; L364-V395 WeakPolarHBondContact O-CA 3.39Å; L366-V395 HydrophobicContact CD1-CG1 3.68Å; L366-V395 HydrophobicContact CG-CG1 3.95Å; T381-V395 HydrophobicContact CG2-CG2 4Å; L393-V395 HydrophobicContact CD2-CG2 3.53Å; L393-V395 HydrophobicContact CG-CG2 3.78Å; V395-I397 HydrophobicContact CG1-CD1 4.46Å; V395-I397 HydrophobicContact CG1-CG1 3.99Å
396Q95.5Very high88.4Confident93 Ų9375.6 Ų75.644%0.43541%0.408SS..EExtended strand (participates in β ladder)trans-90.1134166.6177.2-179.4-2100108.6L364 K365 L366 D398L364-Q396 PolarHBondContact O-N 3.01Å; K365-Q396 CarbonylContact C-O 3.57Å; K365-Q396 WeakPolarHBondContact CA-O 3.14Å; K365-Q396 HydrophobicContact CG-CB 4.13Å; L366-Q396 PolarHBondContact N-O 2.98Å; Q396-D398 PolarHBondContact NE2-OD1 3.27Å
397I93.4Very high88.2Confident40 Ų4075.3 Ų75.321%0.20540%0.402CS..EExtended strand (participates in β ladder)trans-115.5121.2179.5-59174.3000108.8V368 T374 L378 V395V368-I397 HydrophobicContact CB-CG2 3.97Å; V368-I397 HydrophobicContact CG2-CG2 3.68Å; T374-I397 HydrophobicContact CG2-CB 4.2Å; T374-I397 HydrophobicContact CG2-CD1 3.3Å; T374-I397 HydrophobicContact CG2-CG1 4.31Å; T374-I397 HydrophobicContact CG2-CG2 3.91Å; L378-I397 HydrophobicContact CB-CD1 4.07Å; L378-I397 HydrophobicContact CD1-CD1 3.93Å; L378-I397 HydrophobicContact CG-CD1 4.49Å; V395-I397 HydrophobicContact CG1-CD1 4.46Å; V395-I397 HydrophobicContact CG1-CG1 3.99Å
398D93.6Very high88Confident59 Ų5970.9 Ų70.932%0.31639%0.385SS..EExtended strand (participates in β ladder)trans-110.2130.1174.8-64-19.9000108.1L366 L367 V368 Q396L366-D398 PolarHBondContact O-N 2.99Å; L367-D398 CarbonylContact C-O 3.59Å; L367-D398 WeakPolarHBondContact CA-O 3.45Å; L367-D398 HydrophobicContact CD1-CB 4.4Å; V368-D398 PolarHBondContact N-O 2.9Å; Q396-D398 PolarHBondContact NE2-OD1 3.27Å
399T90.9Very high88Confident97 Ų9772.8 Ų72.860%0.59539%0.394SS*.EExtended strand (participates in β ladder)trans-84.7132.9175.651.30000109.7V368 A401V368-T399 WeakPolarHBondContact O-CA 3.46Å; T399-A401 PolarHBondContact O-N 3.13Å
400A85.4Confident88Confident22 Ų2275.9 Ų75.918%0.18240%0.398CS..PPolyproline II helixtrans-58.1138.8172.900000110.6Y345 L367 V368 M402Y345-A400 HydrophobicContact CD2-CB 3.86Å; Y345-A400 HydrophobicContact CE2-CB 3.78Å; L367-A400 HydrophobicContact CD1-CB 4.19Å; L367-A400 HydrophobicContact CG-CB 4.43Å; V368-A400 PolarHBondContact O-N 3.18Å; A400-M402 PolarHBondContact O-N 3.12Å
401A76Confident87.8Confident101 Ų10182 Ų8284%0.83543%0.43SS*.PPolyproline II helixtrans-63.5129.9169.700000108.5T399T399-A401 PolarHBondContact O-N 3.13Å
402M57.7Low87.8Confident239 Ų23979.1 Ų79.1100%1.17743%0.43SS*.  trans-58.70177.2-82.2-167.8-82.900112.7P370 A400P370-M402 HydrophobicContact CB-CG 4.37Å; P370-M402 HydrophobicContact CG-CG 3.9Å; A400-M402 PolarHBondContact O-N 3.12Å

Retrieved 402 of 402 residues in 563.1 ms (Link to these results)