A0A087Y404_POEFO Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087Y404, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 412 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
1M41.6Very low42.4Very low208 Ų208143 Ų143100%1.02567%0.669SS**  0-35.90-74.3-147.3-119.600115.1R5M1-R5 PolarHBondContact O-N 2.64Å
2R33.4Very low45.1Very low231 Ų231136.5 Ų136.587%0.87265%0.652SS**Hα-helixtrans-63.6-42176.1-84.9-178.8171.9173.6-2.8114.2L4 R5 F6R2-L4 PolarHBondContact O-N 2.71Å; R2-R5 PolarHBondContact O-N 3.4Å; R2-F6 WeakPolarHBondContact O-CB 3.4Å; R2-F6 PolarHBondContact O-N 3.06Å
3L32.4Very low47.9Very low139 Ų139127.2 Ų127.273%0.72861%0.607SS**Hα-helixtrans-62.8-41.7177.9-124.791.4000113.1F6 L7L3-F6 PolarHBondContact O-N 2.78Å; L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.01Å
4L29.1Very low50.8Low122 Ų122120.1 Ų120.164%0.63959%0.585SS**Hα-helixtrans-70.5-30.9177.9-83.1149.1000112.9R2 R8R2-L4 PolarHBondContact O-N 2.71Å; L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 2.86Å; L4-R8 VanDerWaalsContact O-N 3.11Å
5R35.9Very low53.5Low208 Ų208121.5 Ų121.579%0.78559%0.587SS**Hα-helixtrans-69.2-41.4170.2-106.5-179.2177.4169.3-0.4111.5M1 R2 R8 S9M1-R5 PolarHBondContact O-N 2.64Å; R2-R5 PolarHBondContact O-N 3.4Å; R5-R8 PolarHBondContact O-N 3.22Å; R5-S9 WeakPolarHBondContact O-CB 3.02Å; R5-S9 PolarHBondContact O-N 3.16Å; R5-S9 PolarHBondContact O-OG 2.82Å
6F39.8Very low56.1Low155 Ų155116.6 Ų116.668%0.6856%0.564SS**Hα-helixtrans-66.5-38.3178-159.3-97000112.6R2 L3 S9 S10R2-F6 WeakPolarHBondContact O-CB 3.4Å; R2-F6 PolarHBondContact O-N 3.06Å; L3-F6 PolarHBondContact O-N 2.78Å; F6-S9 WeakPolarHBondContact CA-OG 3.29Å; F6-S9 PolarHBondContact O-OG 3.42Å; F6-S10 WeakPolarHBondContact O-CB 3.25Å; F6-S10 PolarHBondContact O-N 3.24Å; F6-S10 PolarHBondContact O-OG 3.33Å
7L36.4Very low58.4Low100 Ų100110.2 Ų110.252%0.52453%0.534SS..Hα-helixtrans-72.3-34.2175.1-73164.4000112.9L3 S10 V11L3-L7 WeakPolarHBondContact O-CB 3.49Å; L3-L7 WeakPolarHBondContact O-CG 3.47Å; L3-L7 PolarHBondContact O-N 3.01Å; L7-S10 WeakPolarHBondContact CA-OG 3.42Å; L7-S10 PolarHBondContact O-OG 3.18Å; L7-S10 VanDerWaalsContact O-OG 3.05Å; L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.35Å
8R39.3Very low60.5Low207 Ų207107.6 Ų107.678%0.78152%0.522SS*.Hα-helixtrans-72.2-36.5172.6-81.3-174.7173.7-175.8-1.3112.3L4 R5 S12L4-R8 WeakPolarHBondContact O-CB 3.47Å; L4-R8 PolarHBondContact O-N 2.86Å; L4-R8 VanDerWaalsContact O-N 3.11Å; R5-R8 PolarHBondContact O-N 3.22Å; R8-S12 PolarHBondContact O-N 3.44Å
9S56.1Low62.4Low56 Ų56107.1 Ų107.139%0.39252%0.518SS..Hα-helixtrans-69.6-37.4175.262.10000112.1R5 F6 S12 I13R5-S9 WeakPolarHBondContact O-CB 3.02Å; R5-S9 PolarHBondContact O-N 3.16Å; R5-S9 PolarHBondContact O-OG 2.82Å; F6-S9 WeakPolarHBondContact CA-OG 3.29Å; F6-S9 PolarHBondContact O-OG 3.42Å; S9-S12 PolarHBondContact O-N 3.26Å; S9-I13 WeakPolarHBondContact O-CB 3.19Å; S9-I13 WeakPolarHBondContact O-CG2 3.29Å; S9-I13 PolarHBondContact O-N 2.9Å
10S59Low64.2Low53 Ų53102.6 Ų102.637%0.37150%0.495SS..Hα-helixtrans-69.1-33.2178.168.10000113.6F6 L7 I13 G14F6-S10 WeakPolarHBondContact O-CB 3.25Å; F6-S10 PolarHBondContact O-N 3.24Å; F6-S10 PolarHBondContact O-OG 3.33Å; L7-S10 WeakPolarHBondContact CA-OG 3.42Å; L7-S10 PolarHBondContact O-OG 3.18Å; L7-S10 VanDerWaalsContact O-OG 3.05Å; S10-I13 WeakPolarHBondContact O-CG2 3.28Å; S10-G14 PolarHBondContact O-N 2.97Å
11V63.9Low65.7Low94 Ų9498 Ų9857%0.5747%0.473SS*.Hα-helixtrans-74-35173.9174.10000111.5L7L7-V11 WeakPolarHBondContact O-CG2 3.32Å; L7-V11 PolarHBondContact O-N 3.35Å
12S74.3Confident68.4Low65 Ų6597.4 Ų97.446%0.45546%0.46SS..Hα-helixtrans-66.7-48.2175.5-165.50000111.5R8 S9 G14 K15 D16R8-S12 PolarHBondContact O-N 3.44Å; S9-S12 PolarHBondContact O-N 3.26Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.31Å; S12-K15 WeakPolarHBondContact O-CB 2.89Å; S12-K15 PolarHBondContact O-N 3.38Å; S12-D16 PolarHBondContact O-N 2.8Å; S12-D16 VanDerWaalsContact O-N 3.12Å
13I81.9Confident71.4Confident15 Ų1590.7 Ų90.78%0.07744%0.437CS..Hα-helixtrans-65.6-31.8-177.4-158.7159.4000112.3S9 S10 K15 D16 I17 M91 F94 Q95S9-I13 WeakPolarHBondContact O-CB 3.19Å; S9-I13 WeakPolarHBondContact O-CG2 3.29Å; S9-I13 PolarHBondContact O-N 2.9Å; S10-I13 WeakPolarHBondContact O-CG2 3.28Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 3.32Å; I13-D16 PolarHBondContact O-N 3.46Å; I13-I17 HydrophobicContact CG1-CD1 4.46Å; I13-I17 WeakPolarHBondContact O-CD1 3.37Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.2Å; I13-I17 PolarHBondContact O-N 2.98Å; I13-M91 HydrophobicContact CB-SD 4.38Å; I13-M91 HydrophobicContact CD1-CG 4.08Å; I13-M91 HydrophobicContact CD1-SD 3.53Å; I13-M91 VanDerWaalsContact CD1-SD 3.53Å; I13-M91 HydrophobicContact CG1-SD 3.74Å; I13-M91 HydrophobicContact CG2-SD 3.72Å; I13-F94 HydrophobicContact CD1-CD1 4.04Å; I13-F94 HydrophobicContact CG1-CD1 3.76Å; I13-F94 HydrophobicContact CG1-CE1 3.93Å; I13-Q95 HydrophobicContact CD1-CB 3.89Å
14G87.4Confident74.5Confident28 Ų2888 Ų8829%0.28943%0.43SS..Hα-helixtrans-59.5-41.117200000112.7S10 S12 I17 D18S10-G14 PolarHBondContact O-N 2.97Å; S12-G14 VanDerWaalsContact C-N 3.27Å; S12-G14 PolarHBondContact O-N 3.31Å; G14-I17 PolarHBondContact O-N 3.12Å; G14-D18 VanDerWaalsContact O-CG 3.32Å; G14-D18 PolarHBondContact O-N 3.25Å
15K92Very high77.8Confident142 Ų14282.8 Ų82.862%0.61740%0.403SS*.Hα-helixtrans-68-37.6175.5-67.2179.4179.2-178.40112.1S12 I13 D18 F19S12-K15 WeakPolarHBondContact O-CB 2.89Å; S12-K15 PolarHBondContact O-N 3.38Å; I13-K15 VanDerWaalsContact C-N 3.32Å; I13-K15 PolarHBondContact O-N 3.32Å; K15-D18 WeakPolarHBondContact O-CB 3.02Å; K15-D18 PolarHBondContact O-N 3.1Å; K15-F19 WeakPolarHBondContact O-CB 3.23Å; K15-F19 PolarHBondContact O-N 3.32Å
16D94.5Very high80.7Confident43 Ų4375.3 Ų75.323%0.2338%0.383CS..Hα-helixtrans-66.5-41.6176.3-67.3-47.2000111.1S12 I13 D18 F19 Y20 F94 L98S12-D16 PolarHBondContact O-N 2.8Å; S12-D16 VanDerWaalsContact O-N 3.12Å; I13-D16 PolarHBondContact O-N 3.46Å; D16-D18 VanDerWaalsContact C-N 3.32Å; D16-D18 PolarHBondContact O-N 3.44Å; D16-F19 WeakPolarHBondContact O-CB 3.37Å; D16-F19 PolarHBondContact O-N 2.84Å; D16-F19 VanDerWaalsContact O-N 3.15Å; D16-Y20 VanDerWaalsContact O-CD2 3.29Å; D16-Y20 WeakPolarHBondContact O-CD2 3.42Å; D16-Y20 PolarHBondContact O-N 2.04Å; D16-F94 HydrophobicContact CB-CE1 3.8Å; D16-F94 HydrophobicContact CB-CZ 4Å; D16-L98 HydrophobicContact CB-CD1 3.85Å
17I95.9Very high83.5Confident8 Ų871 Ų714%0.04137%0.371CS..Hα-helixtrans-60.4-43.5173-66.1160000110.6I13 G14 F19 Y20 S21 A64 M67 K68 M91 F94I13-I17 HydrophobicContact CG1-CD1 4.46Å; I13-I17 WeakPolarHBondContact O-CD1 3.37Å; I13-I17 VanDerWaalsContact O-CG1 3.27Å; I13-I17 WeakPolarHBondContact O-CG1 3.2Å; I13-I17 PolarHBondContact O-N 2.98Å; G14-I17 PolarHBondContact O-N 3.12Å; I17-F19 VanDerWaalsContact C-N 3.27Å; I17-F19 PolarHBondContact O-N 3.34Å; I17-Y20 PolarHBondContact O-N 2.97Å; I17-S21 WeakPolarHBondContact O-CB 3.4Å; I17-S21 PolarHBondContact O-N 3.13Å; I17-S21 PolarHBondContact O-OG 3.43Å; I17-A64 HydrophobicContact CG2-CB 4.27Å; I17-M67 HydrophobicContact CD1-CE 3.49Å; I17-M67 VanDerWaalsContact CD1-CE 3.49Å; I17-M67 HydrophobicContact CG1-CE 4.07Å; I17-K68 HydrophobicContact CG2-CD 4.3Å; I17-K68 HydrophobicContact CG2-CG 4.27Å; I17-M91 HydrophobicContact CD1-CE 3.65Å; I17-M91 HydrophobicContact CD1-SD 3.73Å; I17-F94 HydrophobicContact CG1-CD1 4.04Å; I17-F94 HydrophobicContact CG1-CE1 3.66Å; I17-F94 HydrophobicContact CG1-CZ 4Å
18D95.8Very high86.5Confident62 Ų6267.7 Ų67.733%0.33235%0.353SS..Hα-helixtrans-61.5-35.2175.4-74.5-7.5000113G14 K15 D16 S21 R22 K68G14-D18 VanDerWaalsContact O-CG 3.32Å; G14-D18 PolarHBondContact O-N 3.25Å; K15-D18 WeakPolarHBondContact O-CB 3.02Å; K15-D18 PolarHBondContact O-N 3.1Å; D16-D18 VanDerWaalsContact C-N 3.32Å; D16-D18 PolarHBondContact O-N 3.44Å; D18-S21 PolarHBondContact O-OG 2.86Å; D18-R22 WeakPolarHBondContact O-CD 3.29Å; D18-R22 WeakPolarHBondContact O-CG 3.4Å; D18-R22 PolarHBondContact O-NE 3.18Å; D18-K68 WeakPolarHBondContact OD1-CE 3.49Å; D18-K68 IonicContact OD1-NZ 2.66Å; D18-K68 PolarHBondContact OD1-NZ 3.46Å
19F96.8Very high89.3Confident98 Ų9858.3 Ų58.343%0.4332%0.32SS..Hα-helixtrans-70.8-53.9176.9175.1-100.9000110.7K15 D16 I17 S21 R22 F23K15-F19 WeakPolarHBondContact O-CB 3.23Å; K15-F19 PolarHBondContact O-N 3.32Å; D16-F19 WeakPolarHBondContact O-CB 3.37Å; D16-F19 PolarHBondContact O-N 2.84Å; D16-F19 VanDerWaalsContact O-N 3.15Å; I17-F19 VanDerWaalsContact C-N 3.27Å; I17-F19 PolarHBondContact O-N 3.34Å; F19-S21 PolarHBondContact O-N 3.3Å; F19-R22 PolarHBondContact O-N 3.07Å; F19-F23 AromaticContact CD1-CE2 3.88Å; F19-F23 HydrophobicContact CD1-CE2 3.88Å; F19-F23 HydrophobicContact CD2-CE2 4.49Å; F19-F23 AromaticContact CE1-CE2 3.53Å; F19-F23 HydrophobicContact CE1-CE2 3.53Å; F19-F23 AromaticContact CE1-CZ 3.95Å; F19-F23 HydrophobicContact CE1-CZ 3.95Å; F19-F23 HydrophobicContact CE2-CE2 4.18Å; F19-F23 HydrophobicContact CE2-CZ 4.02Å; F19-F23 HydrophobicContact CG-CE2 4.35Å; F19-F23 AromaticContact CZ-CE2 3.7Å; F19-F23 HydrophobicContact CZ-CE2 3.7Å; F19-F23 AromaticContact CZ-CZ 3.61Å; F19-F23 HydrophobicContact CZ-CZ 3.61Å; F19-F23 WeakPolarHBondContact O-CE2 3.28Å
20Y97.8Very high91.2Very high17 Ų1755.7 Ų55.77%0.06730%0.301CS..Hα-helixtrans-70.4-31.2-174.8-80.3-78.8000113.7D16 I17 R22 F23 P60 V61 F94 L98D16-Y20 VanDerWaalsContact O-CD2 3.29Å; D16-Y20 WeakPolarHBondContact O-CD2 3.42Å; D16-Y20 PolarHBondContact O-N 2.04Å; I17-Y20 PolarHBondContact O-N 2.97Å; Y20-R22 PolarHBondContact O-N 3.35Å; Y20-F23 HydrophobicContact CD1-CD2 4.32Å; Y20-F23 PolarHBondContact O-N 3.38Å; Y20-P60 HydrophobicContact CD1-CB 3.65Å; Y20-P60 HydrophobicContact CD2-CB 4.19Å; Y20-P60 HydrophobicContact CE1-CB 3.73Å; Y20-P60 HydrophobicContact CE1-CG 4.42Å; Y20-P60 HydrophobicContact CE2-CB 4.28Å; Y20-P60 HydrophobicContact CG-CB 3.88Å; Y20-V61 HydrophobicContact CD1-CG2 3.84Å; Y20-F94 HydrophobicContact CD2-CE2 4.09Å; Y20-F94 AromaticContact CD2-CZ 3.76Å; Y20-F94 HydrophobicContact CD2-CZ 3.76Å; Y20-F94 HydrophobicContact CE2-CZ 4.48Å; Y20-F94 HydrophobicContact CG-CE2 4.3Å; Y20-F94 HydrophobicContact CG-CZ 4.36Å; Y20-L98 HydrophobicContact CD2-CD2 4.25Å; Y20-L98 HydrophobicContact CE2-CD2 3.42Å; Y20-L98 VanDerWaalsContact CE2-CD2 3.42Å
21S97.1Very high92.9Very high6 Ų657 Ų574%0.04230%0.3CS..THydrogen-bonded Turntrans-69.3-8.9178.159.60000114.6I17 D18 F19 K68I17-S21 WeakPolarHBondContact O-CB 3.4Å; I17-S21 PolarHBondContact O-N 3.13Å; I17-S21 PolarHBondContact O-OG 3.43Å; D18-S21 PolarHBondContact O-OG 2.86Å; F19-S21 PolarHBondContact O-N 3.3Å; S21-K68 VanDerWaalsContact CB-CG 3.41Å; S21-K68 WeakPolarHBondContact OG-CG 3.47Å
22R96.8Very high94.5Very high197 Ų19757.3 Ų57.374%0.74330%0.295SS*.THydrogen-bonded Turntrans-84.1-19.4174.2-64.9169.8-165.8-163.8-0.4112.8D18 F19 Y20D18-R22 WeakPolarHBondContact O-CD 3.29Å; D18-R22 WeakPolarHBondContact O-CG 3.4Å; D18-R22 PolarHBondContact O-NE 3.18Å; F19-R22 PolarHBondContact O-N 3.07Å; Y20-R22 PolarHBondContact O-N 3.35Å
23F97.6Very high95.5Very high89 Ų8954.8 Ų54.839%0.3928%0.277SS..SBendtrans-81144.8176.3-58.6-73.9000110.2F19 Y20 V61 N65F19-F23 AromaticContact CD1-CE2 3.88Å; F19-F23 HydrophobicContact CD1-CE2 3.88Å; F19-F23 HydrophobicContact CD2-CE2 4.49Å; F19-F23 AromaticContact CE1-CE2 3.53Å; F19-F23 HydrophobicContact CE1-CE2 3.53Å; F19-F23 AromaticContact CE1-CZ 3.95Å; F19-F23 HydrophobicContact CE1-CZ 3.95Å; F19-F23 HydrophobicContact CE2-CE2 4.18Å; F19-F23 HydrophobicContact CE2-CZ 4.02Å; F19-F23 HydrophobicContact CG-CE2 4.35Å; F19-F23 AromaticContact CZ-CE2 3.7Å; F19-F23 HydrophobicContact CZ-CE2 3.7Å; F19-F23 AromaticContact CZ-CZ 3.61Å; F19-F23 HydrophobicContact CZ-CZ 3.61Å; F19-F23 WeakPolarHBondContact O-CE2 3.28Å; Y20-F23 HydrophobicContact CD1-CD2 4.32Å; Y20-F23 PolarHBondContact O-N 3.38Å; F23-V61 HydrophobicContact CB-CG1 3.91Å; F23-V61 HydrophobicContact CB-CG2 3.84Å; F23-V61 HydrophobicContact CD2-CG2 4.24Å; F23-V61 HydrophobicContact CG-CG2 4.37Å; F23-N65 PolarHBondContact O-ND2 3.23Å
24S96.8Very high96Very high83 Ų8354.5 Ų54.558%0.5828%0.275SS*.PPolyproline II helixtrans-81.3131.9171.5-63.30000109
25P98.3Very high96.3Very high12 Ų1256.5 Ų56.58%0.07828%0.279CS..PPolyproline II helixtrans-53.4144.7169.8-27.435.6000112.1P27 E58 V61 R62 L376P25-P27 VanDerWaalsContact O-CD 3.25Å; P25-P27 WeakPolarHBondContact O-CD 3.4Å; P25-E58 WeakPolarHBondContact CA-OE1 3.48Å; P25-V61 HydrophobicContact CG-CG1 4.23Å; P25-R62 HydrophobicContact CB-CG 4.16Å; P25-L376 HydrophobicContact CB-CB 4.16Å; P25-L376 HydrophobicContact CB-CD1 3.62Å
26S98.3Very high96.3Very high52 Ų5252.3 Ų52.336%0.36426%0.261SS..  trans-94106179.5-46.50000109.4E58 R62S26-E58 VanDerWaalsContact CB-OE2 3.23Å; S26-E58 WeakPolarHBondContact CB-OE2 3.4Å; S26-E58 PolarHBondContact N-OE1 3.15Å; S26-E58 PolarHBondContact N-OE2 3.09Å; S26-E58 PolarHBondContact OG-OE2 3.46Å; S26-R62 PolarHBondContact O-NH2 2.84Å
27P98.1Very high95.9Very high65 Ų6550.4 Ų50.442%0.42225%0.251SS..  trans-75.2137177.831.6-34.8000111.1P25 I373 E374 L376P25-P27 VanDerWaalsContact O-CD 3.25Å; P25-P27 WeakPolarHBondContact O-CD 3.4Å; P27-I373 HydrophobicContact CB-CG2 4Å; P27-E374 HydrophobicContact CB-CB 3.96Å; P27-E374 VanDerWaalsContact CB-O 3.3Å; P27-E374 WeakPolarHBondContact CB-O 3.32Å; P27-L376 HydrophobicContact CB-CD1 4.09Å; P27-L376 HydrophobicContact CB-CG 4.41Å
28L98.1Very high95.5Very high29 Ų2954.7 Ų54.715%0.15227%0.27CS..  trans-108.1144.5175.1-60.7177.6000110.9F33 F54 L170 E374L28-F33 HydrophobicContact CB-CD2 4.13Å; L28-F33 HydrophobicContact CB-CE2 3.59Å; L28-F33 HydrophobicContact CB-CZ 3.85Å; L28-F33 HydrophobicContact CD1-CD1 4.36Å; L28-F33 HydrophobicContact CD1-CE1 3.68Å; L28-F33 HydrophobicContact CD1-CE2 4.18Å; L28-F33 HydrophobicContact CD1-CZ 3.58Å; L28-F33 HydrophobicContact CG-CZ 4.32Å; L28-F54 HydrophobicContact CD1-CE1 3.87Å; L28-F54 HydrophobicContact CD1-CZ 3.86Å; L28-F54 HydrophobicContact CD2-CZ 4.26Å; L28-F54 HydrophobicContact CG-CZ 4.23Å; L28-L170 HydrophobicContact CD1-CD2 4.06Å; L28-E374 WeakPolarHBondContact CB-OE2 3.37Å; L28-E374 PolarHBondContact N-OE2 3.16Å; L28-E374 WeakPolarHBondContact O-CG 3.25Å; L28-E374 PolarHBondContact O-N 3.25Å
29S98.1Very high94.9Very high11 Ų1155.2 Ų55.28%0.07728%0.278CS..BIsolated β-bridgetrans-82.4155.616860.40000111.6K31 Q32 F33 S372S29-K31 PolarHBondContact O-N 3.34Å; S29-Q32 PolarHBondContact O-N 2.93Å; S29-Q32 VanDerWaalsContact OG-CG 3.28Å; S29-Q32 WeakPolarHBondContact OG-CG 3.45Å; S29-Q32 PolarHBondContact OG-N 3.45Å; S29-Q32 PolarHBondContact OG-OE1 3.11Å; S29-F33 VanDerWaalsContact O-CD2 3.32Å; S29-F33 WeakPolarHBondContact O-CD2 3.32Å; S29-F33 PolarHBondContact O-N 2.79Å; S29-F33 VanDerWaalsContact O-N 3.08Å; S29-S372 CarbonylContact C-O 3.59Å; S29-S372 VanDerWaalsContact CA-O 3.28Å; S29-S372 WeakPolarHBondContact CA-O 3.28Å
30M96.2Very high93.9Very high0 Ų051 Ų510%026%0.261CS..Hα-helixtrans-55.4-37.5167.7-74.9-167174.400111.6Q32 F33 L34 Y244 V245 F345 S372M30-Q32 PolarHBondContact O-N 3.47Å; M30-F33 PolarHBondContact O-N 3.38Å; M30-L34 VanDerWaalsContact O-CB 3.28Å; M30-L34 WeakPolarHBondContact O-CB 3.5Å; M30-L34 PolarHBondContact O-N 3.31Å; M30-Y244 HydrophobicContact CE-CD2 3.19Å; M30-Y244 HydrophobicContact CE-CE2 3.34Å; M30-Y244 HydrophobicContact CE-CG 3.94Å; M30-Y244 HydrophobicContact SD-CD2 3.88Å; M30-Y244 HydrophobicContact SD-CE2 4.44Å; M30-V245 HydrophobicContact CE-CG2 4.46Å; M30-F345 HydrophobicContact CE-CB 4.09Å; M30-F345 HydrophobicContact CE-CD1 4.14Å; M30-F345 HydrophobicContact CE-CD2 3.13Å; M30-F345 HydrophobicContact CE-CE1 4.35Å; M30-F345 HydrophobicContact CE-CE2 3.36Å; M30-F345 HydrophobicContact CE-CG 3.54Å; M30-F345 HydrophobicContact CE-CZ 3.99Å; M30-F345 HydrophobicContact CG-CD1 4Å; M30-F345 HydrophobicContact CG-CE1 3.87Å; M30-F345 HydrophobicContact CG-CE2 4.39Å; M30-F345 HydrophobicContact CG-CG 4.32Å; M30-F345 HydrophobicContact CG-CZ 4.06Å; M30-S372 PolarHBondContact N-O 3.15Å
31K95.9Very high92.4Very high81 Ų8156 Ų5635%0.35229%0.293SS..Hα-helixtrans-58.5-46.1173.5177.5171174.850.50112S29 L34 D35 S369 T370S29-K31 PolarHBondContact O-N 3.34Å; K31-L34 PolarHBondContact O-N 2.73Å; K31-D35 VanDerWaalsContact CE-OD2 3.29Å; K31-D35 WeakPolarHBondContact CE-OD2 3.3Å; K31-D35 VanDerWaalsContact CG-OD2 3.25Å; K31-D35 WeakPolarHBondContact CG-OD2 3.44Å; K31-D35 IonicContact NZ-OD1 3.4Å; K31-D35 PolarHBondContact NZ-OD1 3.45Å; K31-D35 IonicContact NZ-OD2 2.71Å; K31-D35 PolarHBondContact NZ-OD2 2.99Å; K31-D35 WeakPolarHBondContact O-CB 3.05Å; K31-D35 PolarHBondContact O-N 2.98Å; K31-S369 PolarHBondContact N-O 3.28Å; K31-S369 VanDerWaalsContact N-O 3.07Å; K31-T370 HydrophobicContact CB-CG2 4.44Å; K31-T370 HydrophobicContact CD-CG2 3.42Å; K31-T370 VanDerWaalsContact CD-CG2 3.42Å
32Q96.9Very high90.6Very high100 Ų10059.4 Ų59.447%0.46733%0.329SS..Hα-helixtrans-62.8-43.4177.9-76.8165.1-6300112.2S29 M30 L34 F36S29-Q32 PolarHBondContact O-N 2.93Å; S29-Q32 VanDerWaalsContact OG-CG 3.28Å; S29-Q32 WeakPolarHBondContact OG-CG 3.45Å; S29-Q32 PolarHBondContact OG-N 3.45Å; S29-Q32 PolarHBondContact OG-OE1 3.11Å; M30-Q32 PolarHBondContact O-N 3.47Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.41Å; Q32-F36 WeakPolarHBondContact O-CB 3.31Å; Q32-F36 PolarHBondContact O-N 2.87Å
33F95.6Very high89.1Confident13 Ų1353.2 Ų53.26%0.05732%0.316CS..Hα-helixtrans-59.4-44.3174-77.2-67.5000111.9L28 S29 M30 G37 M169 L170 Q173 I195 E374L28-F33 HydrophobicContact CB-CD2 4.13Å; L28-F33 HydrophobicContact CB-CE2 3.59Å; L28-F33 HydrophobicContact CB-CZ 3.85Å; L28-F33 HydrophobicContact CD1-CD1 4.36Å; L28-F33 HydrophobicContact CD1-CE1 3.68Å; L28-F33 HydrophobicContact CD1-CE2 4.18Å; L28-F33 HydrophobicContact CD1-CZ 3.58Å; L28-F33 HydrophobicContact CG-CZ 4.32Å; S29-F33 VanDerWaalsContact O-CD2 3.32Å; S29-F33 WeakPolarHBondContact O-CD2 3.32Å; S29-F33 PolarHBondContact O-N 2.79Å; S29-F33 VanDerWaalsContact O-N 3.08Å; M30-F33 PolarHBondContact O-N 3.38Å; F33-G37 PolarHBondContact O-N 3.07Å; F33-M169 HydrophobicContact CD2-CE 4.11Å; F33-M169 HydrophobicContact CE2-CE 4.16Å; F33-M169 HydrophobicContact CE2-CG 4.32Å; F33-M169 HydrophobicContact CG-CE 4.32Å; F33-M169 HydrophobicContact CZ-CE 4.41Å; F33-M169 HydrophobicContact CZ-CG 4.03Å; F33-L170 HydrophobicContact CE1-CD2 3.79Å; F33-L170 HydrophobicContact CZ-CD2 3.79Å; F33-Q173 HydrophobicContact CD1-CG 3.91Å; F33-Q173 HydrophobicContact CE1-CG 4.03Å; F33-I195 HydrophobicContact CB-CD1 3.35Å; F33-I195 HydrophobicContact CD2-CD1 4.36Å; F33-I195 HydrophobicContact CG-CD1 4.03Å; F33-E374 HydrophobicContact CE2-CG 4.44Å
34L92.7Very high87.4Confident9 Ų953.7 Ų53.75%0.04732%0.32CS..Hα-helixtrans-67.1-50.1-178.4-174.368.5000111.9M30 K31 Q32 F36 G37 K38 I192 P197 V243M30-L34 VanDerWaalsContact O-CB 3.28Å; M30-L34 WeakPolarHBondContact O-CB 3.5Å; M30-L34 PolarHBondContact O-N 3.31Å; K31-L34 PolarHBondContact O-N 2.73Å; Q32-L34 VanDerWaalsContact C-N 3.31Å; Q32-L34 PolarHBondContact O-N 3.41Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 3.14Å; L34-G37 PolarHBondContact O-N 3.22Å; L34-K38 HydrophobicContact CG-CD 4.22Å; L34-K38 WeakPolarHBondContact O-CB 3.25Å; L34-K38 VanDerWaalsContact O-CG 3.29Å; L34-K38 WeakPolarHBondContact O-CG 3.34Å; L34-K38 PolarHBondContact O-N 2.92Å; L34-I192 HydrophobicContact CD1-CB 4.18Å; L34-I192 HydrophobicContact CD1-CD1 3.56Å; L34-I192 HydrophobicContact CD1-CG1 4.35Å; L34-P197 HydrophobicContact CD1-CB 4.22Å; L34-P197 HydrophobicContact CD1-CG 3.81Å; L34-V243 HydrophobicContact CD2-CG1 4.23Å
35D92.9Very high86Confident69 Ų6954.3 Ų54.337%0.36932%0.316SS..Hα-helixtrans-62-40.8180-69.5-12.7000110.4K31 S39K31-D35 VanDerWaalsContact CE-OD2 3.29Å; K31-D35 WeakPolarHBondContact CE-OD2 3.3Å; K31-D35 VanDerWaalsContact CG-OD2 3.25Å; K31-D35 WeakPolarHBondContact CG-OD2 3.44Å; K31-D35 IonicContact NZ-OD1 3.4Å; K31-D35 PolarHBondContact NZ-OD1 3.45Å; K31-D35 IonicContact NZ-OD2 2.71Å; K31-D35 PolarHBondContact NZ-OD2 2.99Å; K31-D35 WeakPolarHBondContact O-CB 3.05Å; K31-D35 PolarHBondContact O-N 2.98Å; D35-S39 WeakPolarHBondContact O-CB 3.49Å; D35-S39 PolarHBondContact O-N 2.91Å
36F91.7Very high84.8Confident55 Ų5556 Ų5624%0.24133%0.332CS..Hα-helixtrans-59.3-56.3172.8176.2-102000111Q32 L34 K38 S39 C40 C47 T50 L177 F178Q32-F36 WeakPolarHBondContact O-CB 3.31Å; Q32-F36 PolarHBondContact O-N 2.87Å; L34-F36 VanDerWaalsContact C-N 3.3Å; L34-F36 PolarHBondContact O-N 3.14Å; F36-K38 VanDerWaalsContact C-N 3.33Å; F36-K38 PolarHBondContact O-N 3.05Å; F36-S39 WeakPolarHBondContact O-CB 3.35Å; F36-S39 PolarHBondContact O-N 3.37Å; F36-S39 PolarHBondContact O-OG 3.08Å; F36-C40 PolarHBondContact O-N 3.48Å; F36-C40 PolarHBondContact O-SG 3.01Å; F36-C47 HydrophobicContact CE2-CB 4.48Å; F36-C47 HydrophobicContact CZ-CB 4.22Å; F36-C47 WeakPolarHBondContact CZ-O 3.28Å; F36-T50 HydrophobicContact CE2-CG2 4.03Å; F36-L177 HydrophobicContact CD1-CD1 4.37Å; F36-L177 HydrophobicContact CE1-CD1 4.15Å; F36-F178 HydrophobicContact CE1-CE2 4.31Å; F36-F178 HydrophobicContact CE1-CZ 4.1Å; F36-F178 HydrophobicContact CZ-CE2 4.5Å; F36-F178 HydrophobicContact CZ-CZ 4.14Å
37G87.1Confident84.1Confident2 Ų254 Ų542%0.02132%0.317CS..Hα-helixtrans-64.4-34.1-177.600000113.9F33 L34 C40 I192F33-G37 PolarHBondContact O-N 3.07Å; L34-G37 PolarHBondContact O-N 3.22Å; G37-C40 WeakPolarHBondContact O-CB 3.31Å; G37-C40 PolarHBondContact O-N 3.5Å; G37-I192 VanDerWaalsContact CA-CG2 3.48Å
38K86Confident83.7Confident99 Ų9952.5 Ų52.543%0.4331%0.305SS..Hα-helixtrans-63.1-40.6171-74.3-178.1179.9173.50111.9L34 F36 C40 T41 I192L34-K38 HydrophobicContact CG-CD 4.22Å; L34-K38 WeakPolarHBondContact O-CB 3.25Å; L34-K38 VanDerWaalsContact O-CG 3.29Å; L34-K38 WeakPolarHBondContact O-CG 3.34Å; L34-K38 PolarHBondContact O-N 2.92Å; F36-K38 VanDerWaalsContact C-N 3.33Å; F36-K38 PolarHBondContact O-N 3.05Å; K38-C40 PolarHBondContact O-N 2.93Å; K38-C40 VanDerWaalsContact O-N 3.16Å; K38-T41 PolarHBondContact O-N 3.29Å; K38-T41 PolarHBondContact O-OG1 3.39Å; K38-I192 HydrophobicContact CB-CD1 4.47Å; K38-I192 HydrophobicContact CD-CD1 4.29Å; K38-I192 HydrophobicContact CG-CD1 3.35Å
39S83.3Confident83.3Confident72 Ų7254.2 Ų54.250%0.50331%0.311SS..Hα-helixtrans-64.2-19.7178.575.40000113.1D35 F36 T41D35-S39 WeakPolarHBondContact O-CB 3.49Å; D35-S39 PolarHBondContact O-N 2.91Å; F36-S39 WeakPolarHBondContact O-CB 3.35Å; F36-S39 PolarHBondContact O-N 3.37Å; F36-S39 PolarHBondContact O-OG 3.08Å; S39-T41 VanDerWaalsContact C-N 3.35Å
40C77.6Confident83.1Confident10 Ų1057.7 Ų57.77%0.06833%0.332CS..THydrogen-bonded Turntrans-79.2-15.8179.9-51.30000113.7F36 G37 K38 G42 S43 C47F36-C40 PolarHBondContact O-N 3.48Å; F36-C40 PolarHBondContact O-SG 3.01Å; G37-C40 WeakPolarHBondContact O-CB 3.31Å; G37-C40 PolarHBondContact O-N 3.5Å; K38-C40 PolarHBondContact O-N 2.93Å; K38-C40 VanDerWaalsContact O-N 3.16Å; C40-G42 PolarHBondContact O-N 3.34Å; C40-S43 PolarHBondContact O-N 3.06Å; C40-C47 WeakPolarHBondContact CA-SG 3.48Å; C40-C47 HydrophobicContact CB-CB 3.64Å; C40-C47 WeakPolarHBondContact CB-SG 3.32Å; C40-C47 PolarHBondContact N-SG 3.13Å; C40-C47 VanDerWaalsContact N-SG 3.43Å; C40-C47 WeakPolarHBondContact SG-CB 3.42Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.35Å
41T65.4Low83Confident121 Ų12158.2 Ų58.274%0.74234%0.336SS*.THydrogen-bonded Turntrans-73.476.7174.165.50000109.8K38 S39K38-T41 PolarHBondContact O-N 3.29Å; K38-T41 PolarHBondContact O-OG1 3.39Å; S39-T41 VanDerWaalsContact C-N 3.35Å
42G59.7Low83Confident79 Ų7954.4 Ų54.481%0.81432%0.319SS*.THydrogen-bonded Turntrans134.8-10.3179.800000115.7C40C40-G42 PolarHBondContact O-N 3.34Å
43S64.4Low83Confident66 Ų6651.1 Ų51.146%0.46231%0.309SS..  trans-144.353.6176.8-158.30000111.6C40 N45 A46 C47C40-S43 PolarHBondContact O-N 3.06Å; S43-N45 PolarHBondContact O-N 3.44Å; S43-A46 PolarHBondContact O-N 2.66Å; S43-A46 WeakPolarHBondContact OG-CB 3.26Å; S43-C47 PolarHBondContact O-N 3.32Å; S43-C47 VanDerWaalsContact O-N 3.15Å
44E62.2Low83Confident99 Ų9953.6 Ų53.646%0.46332%0.32SS..Hα-helixtrans-53.8-48.4-171.4-66.5177.6179.600112.6A46 C47 E48 K183E44-A46 VanDerWaalsContact C-N 3.34Å; E44-A46 PolarHBondContact O-N 3.03Å; E44-C47 WeakPolarHBondContact O-CB 3.38Å; E44-C47 PolarHBondContact O-N 3.23Å; E44-E48 PolarHBondContact O-N 3.29Å; E44-K183 IonicContact OE1-NZ 3.27Å; E44-K183 IonicContact OE2-NZ 2.77Å
45N68.3Low83.3Confident96 Ų9653.3 Ų53.351%0.51332%0.319SS..Hα-helixtrans-64.5-34.5-178.1-70.212.8000113S43 K49S43-N45 PolarHBondContact O-N 3.44Å; N45-K49 VanDerWaalsContact O-CG 3.23Å; N45-K49 WeakPolarHBondContact O-CG 3.47Å; N45-K49 PolarHBondContact O-N 2.92Å
46A71.4Confident83.4Confident49 Ų4952.2 Ų52.241%0.40531%0.309SS..Hα-helixtrans-71.2-40.9177.600000110.9S43 E44 K49 T50S43-A46 PolarHBondContact O-N 2.66Å; S43-A46 WeakPolarHBondContact OG-CB 3.26Å; E44-A46 VanDerWaalsContact C-N 3.34Å; E44-A46 PolarHBondContact O-N 3.03Å; A46-K49 PolarHBondContact O-N 3.39Å; A46-T50 PolarHBondContact O-N 3.32Å; A46-T50 VanDerWaalsContact O-N 3.09Å; A46-T50 PolarHBondContact O-OG1 2.88Å; A46-T50 VanDerWaalsContact O-OG1 3.13Å
47C84.7Confident83.7Confident8 Ų855.4 Ų55.45%0.05433%0.325CS..Hα-helixtrans-61.8-46.7175.2-97.70000113.3F36 C40 S43 E44 K49 T50 S51 F178F36-C47 HydrophobicContact CE2-CB 4.48Å; F36-C47 HydrophobicContact CZ-CB 4.22Å; F36-C47 WeakPolarHBondContact CZ-O 3.28Å; C40-C47 WeakPolarHBondContact CA-SG 3.48Å; C40-C47 HydrophobicContact CB-CB 3.64Å; C40-C47 WeakPolarHBondContact CB-SG 3.32Å; C40-C47 PolarHBondContact N-SG 3.13Å; C40-C47 VanDerWaalsContact N-SG 3.43Å; C40-C47 WeakPolarHBondContact SG-CB 3.42Å; C40-C47 CovalentContact SG-SG 2.04Å; C40-C47 PolarHBondContact SG-SG 3.35Å; S43-C47 PolarHBondContact O-N 3.32Å; S43-C47 VanDerWaalsContact O-N 3.15Å; E44-C47 WeakPolarHBondContact O-CB 3.38Å; E44-C47 PolarHBondContact O-N 3.23Å; C47-K49 VanDerWaalsContact C-N 3.29Å; C47-K49 PolarHBondContact O-N 3.15Å; C47-T50 PolarHBondContact O-N 3.46Å; C47-S51 PolarHBondContact O-N 3.19Å; C47-F178 HydrophobicContact CB-CE1 4Å; C47-F178 HydrophobicContact CB-CZ 3.99Å
48E89.1Confident84.2Confident34 Ų3455.7 Ų55.716%0.15933%0.326CS..Hα-helixtrans-59.3-43.3179.7-171.6-176.9-157.900110.6E44 T50 S51 F52 T115 F178E44-E48 PolarHBondContact O-N 3.29Å; E48-T50 PolarHBondContact O-N 2.86Å; E48-S51 WeakPolarHBondContact O-CB 3.35Å; E48-S51 PolarHBondContact O-N 3.5Å; E48-F52 WeakPolarHBondContact O-CB 3.33Å; E48-F52 PolarHBondContact O-N 3.5Å; E48-T115 PolarHBondContact OE1-OG1 3.14Å; E48-F178 HydrophobicContact CB-CD1 3.87Å; E48-F178 HydrophobicContact CB-CE1 4.03Å; E48-F178 HydrophobicContact CB-CG 4.21Å; E48-F178 HydrophobicContact CG-CB 4.25Å; E48-F178 HydrophobicContact CG-CD1 4.16Å; E48-F178 HydrophobicContact CG-CD2 4.42Å; E48-F178 HydrophobicContact CG-CG 4.01Å
49K91Very high84.8Confident65 Ų6551.1 Ų51.128%0.28331%0.306SS..Hα-helixtrans-59.7-44.6175.2-69.9178.9-178.9-169.50112.7N45 A46 C47 F52 A53 A105 D106N45-K49 VanDerWaalsContact O-CG 3.23Å; N45-K49 WeakPolarHBondContact O-CG 3.47Å; N45-K49 PolarHBondContact O-N 2.92Å; A46-K49 PolarHBondContact O-N 3.39Å; C47-K49 VanDerWaalsContact C-N 3.29Å; C47-K49 PolarHBondContact O-N 3.15Å; K49-F52 PolarHBondContact O-N 2.81Å; K49-A53 VanDerWaalsContact O-CB 3.3Å; K49-A53 WeakPolarHBondContact O-CB 3.25Å; K49-A53 PolarHBondContact O-N 3.46Å; K49-A105 HydrophobicContact CB-CB 4.41Å; K49-A105 WeakPolarHBondContact CG-O 3.3Å; K49-D106 IonicContact NZ-OD1 3.44Å; K49-D106 PolarHBondContact NZ-OD1 3.03Å
50T92.6Very high85.5Confident84 Ų8447.7 Ų47.752%0.51528%0.282SS..Hα-helixtrans-63.8-43.8176-57.50000111.3F36 A46 C47 E48 A53 F54F36-T50 HydrophobicContact CE2-CG2 4.03Å; A46-T50 PolarHBondContact O-N 3.32Å; A46-T50 VanDerWaalsContact O-N 3.09Å; A46-T50 PolarHBondContact O-OG1 2.88Å; A46-T50 VanDerWaalsContact O-OG1 3.13Å; C47-T50 PolarHBondContact O-N 3.46Å; E48-T50 PolarHBondContact O-N 2.86Å; T50-A53 PolarHBondContact O-N 2.87Å; T50-F54 WeakPolarHBondContact O-CB 3.48Å; T50-F54 PolarHBondContact O-N 3.05Å
51S95.1Very high86.5Confident12 Ų1247.7 Ų47.78%0.08428%0.282CS..Hα-helixtrans-61.1-47.5176.8-166.20000111.5C47 E48 A53 F54 L55 H174C47-S51 PolarHBondContact O-N 3.19Å; E48-S51 WeakPolarHBondContact O-CB 3.35Å; E48-S51 PolarHBondContact O-N 3.5Å; S51-A53 PolarHBondContact O-N 3.23Å; S51-F54 PolarHBondContact O-N 2.83Å; S51-L55 WeakPolarHBondContact O-CB 3.31Å; S51-L55 VanDerWaalsContact O-CG 3.25Å; S51-L55 WeakPolarHBondContact O-CG 3.14Å; S51-L55 PolarHBondContact O-N 3.09Å; S51-H174 PolarHBondContact OG-ND1 2.91Å
52F96.1Very high88.1Confident0 Ų042.1 Ų42.10%025%0.247CC..Hα-helixtrans-55.9-51174.2167.2-101.1000111.7E48 K49 F54 L55 R56 F100 K103 A105 V110 T111 F114E48-F52 WeakPolarHBondContact O-CB 3.33Å; E48-F52 PolarHBondContact O-N 3.5Å; K49-F52 PolarHBondContact O-N 2.81Å; F52-F54 VanDerWaalsContact C-N 3.3Å; F52-F54 PolarHBondContact O-N 3.16Å; F52-L55 PolarHBondContact O-N 3.4Å; F52-R56 WeakPolarHBondContact O-CB 3.33Å; F52-R56 VanDerWaalsContact O-CG 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.45Å; F52-R56 PolarHBondContact O-N 3.02Å; F52-F100 HydrophobicContact CE2-CB 4Å; F52-F100 AromaticContact CE2-CD1 3.97Å; F52-F100 HydrophobicContact CE2-CD1 3.97Å; F52-F100 HydrophobicContact CE2-CG 4.34Å; F52-F100 HydrophobicContact CZ-CB 4.29Å; F52-K103 HydrophobicContact CZ-CB 4.49Å; F52-A105 HydrophobicContact CD1-CB 3.58Å; F52-A105 HydrophobicContact CE1-CB 3.82Å; F52-V110 HydrophobicContact CE1-CG1 4.48Å; F52-V110 HydrophobicContact CE2-CG1 4.01Å; F52-V110 HydrophobicContact CZ-CG1 3.73Å; F52-T111 HydrophobicContact CB-CG2 4.46Å; F52-T111 HydrophobicContact CG-CG2 4.39Å; F52-F114 HydrophobicContact CD2-CB 3.71Å; F52-F114 AromaticContact CD2-CD1 3.64Å; F52-F114 HydrophobicContact CD2-CD1 3.64Å; F52-F114 AromaticContact CD2-CD2 3.74Å; F52-F114 HydrophobicContact CD2-CD2 3.74Å; F52-F114 HydrophobicContact CD2-CE1 4.12Å; F52-F114 HydrophobicContact CD2-CE2 4.22Å; F52-F114 AromaticContact CD2-CG 3.41Å; F52-F114 HydrophobicContact CD2-CG 3.41Å; F52-F114 VanDerWaalsContact CD2-CG 3.41Å; F52-F114 HydrophobicContact CD2-CZ 4.39Å; F52-F114 HydrophobicContact CE2-CB 3.84Å; F52-F114 HydrophobicContact CE2-CD1 4.42Å; F52-F114 AromaticContact CE2-CD2 3.73Å; F52-F114 HydrophobicContact CE2-CD2 3.73Å; F52-F114 HydrophobicContact CE2-CE2 4.35Å; F52-F114 AromaticContact CE2-CG 3.75Å; F52-F114 HydrophobicContact CE2-CG 3.75Å
53A95.2Very high90Very high32 Ų3238.5 Ų38.526%0.26421%0.209SC..Hα-helixtrans-61.6-38.2-177.200000112.5K49 T50 S51 R56K49-A53 VanDerWaalsContact O-CB 3.3Å; K49-A53 WeakPolarHBondContact O-CB 3.25Å; K49-A53 PolarHBondContact O-N 3.46Å; T50-A53 PolarHBondContact O-N 2.87Å; S51-A53 PolarHBondContact O-N 3.23Å; A53-R56 WeakPolarHBondContact O-CG 3.3Å
54F97.4Very high91.6Very high64 Ų6435.3 Ų35.328%0.28119%0.187SC..Hα-helixtrans-70.1-53.8174.3176.3-103000111.7L28 T50 S51 F52 R56 Q57 E58 L170L28-F54 HydrophobicContact CD1-CE1 3.87Å; L28-F54 HydrophobicContact CD1-CZ 3.86Å; L28-F54 HydrophobicContact CD2-CZ 4.26Å; L28-F54 HydrophobicContact CG-CZ 4.23Å; T50-F54 WeakPolarHBondContact O-CB 3.48Å; T50-F54 PolarHBondContact O-N 3.05Å; S51-F54 PolarHBondContact O-N 2.83Å; F52-F54 VanDerWaalsContact C-N 3.3Å; F52-F54 PolarHBondContact O-N 3.16Å; F54-R56 PolarHBondContact O-N 3.16Å; F54-Q57 PolarHBondContact O-N 3.49Å; F54-Q57 VanDerWaalsContact O-N 3.09Å; F54-E58 HydrophobicContact CD1-CB 4.34Å; F54-E58 HydrophobicContact CE1-CB 3.93Å; F54-E58 HydrophobicContact CE1-CG 3.93Å; F54-E58 HydrophobicContact CE2-CB 4.19Å; F54-E58 HydrophobicContact CE2-CG 4.34Å; F54-E58 HydrophobicContact CZ-CB 3.85Å; F54-E58 HydrophobicContact CZ-CG 3.66Å; F54-E58 WeakPolarHBondContact O-CB 3.45Å; F54-E58 PolarHBondContact O-N 2.94Å; F54-L170 HydrophobicContact CE1-CD1 4.43Å; F54-L170 HydrophobicContact CE1-CD2 4.09Å
55L97.9Very high93.3Very high4 Ų430.8 Ų30.82%0.02117%0.166CC..Hα-helixtrans-67.9-34.3-171.7-69178.6000113.6S51 F52 Q57 E58 L59 F114 L170 H174S51-L55 WeakPolarHBondContact O-CB 3.31Å; S51-L55 VanDerWaalsContact O-CG 3.25Å; S51-L55 WeakPolarHBondContact O-CG 3.14Å; S51-L55 PolarHBondContact O-N 3.09Å; F52-L55 PolarHBondContact O-N 3.4Å; L55-Q57 PolarHBondContact O-N 3.22Å; L55-E58 PolarHBondContact O-N 3.29Å; L55-L59 HydrophobicContact CB-CD1 4.1Å; L55-L59 HydrophobicContact CB-CG 4.35Å; L55-L59 HydrophobicContact CD2-CG 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.47Å; L55-F114 HydrophobicContact CB-CE1 4.08Å; L55-F114 HydrophobicContact CB-CZ 3.7Å; L55-F114 HydrophobicContact CD1-CE1 4.3Å; L55-L170 HydrophobicContact CD2-CB 3.74Å; L55-L170 HydrophobicContact CD2-CD1 3.82Å; L55-L170 HydrophobicContact CD2-CD2 4.1Å; L55-L170 HydrophobicContact CD2-CG 4.1Å; L55-H174 HydrophobicContact CD1-CB 3.59Å
56R96.2Very high94.7Very high46 Ų4626.2 Ų26.217%0.17414%0.141CC..Hα-helixtrans-63.2-20.9175.376.1-176.8179.4166-6.6113F52 A53 F54 P60 K101 K103 F114F52-R56 WeakPolarHBondContact O-CB 3.33Å; F52-R56 VanDerWaalsContact O-CG 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.45Å; F52-R56 PolarHBondContact O-N 3.02Å; A53-R56 WeakPolarHBondContact O-CG 3.3Å; F54-R56 PolarHBondContact O-N 3.16Å; R56-P60 WeakPolarHBondContact O-CD 3.27Å; R56-P60 WeakPolarHBondContact O-CG 3.42Å; R56-K101 PolarHBondContact NH1-O 3.49Å; R56-K103 PolarHBondContact NH1-O 2.96Å; R56-F114 HydrophobicContact CB-CE2 4.29Å
57Q96.2Very high96Very high122 Ų12224.3 Ų24.357%0.5712%0.124SC*.Hα-helixtrans-97.7-44.3176-64.3-175.80.700111.5F54 L55 P60 V61F54-Q57 PolarHBondContact O-N 3.49Å; F54-Q57 VanDerWaalsContact O-N 3.09Å; L55-Q57 PolarHBondContact O-N 3.22Å; Q57-P60 WeakPolarHBondContact O-CD 3.23Å; Q57-V61 WeakPolarHBondContact O-CG2 3.39Å
58E98.5Very high96.6Very high8 Ų826.1 Ų26.14%0.03713%0.131CC..Hα-helixtrans-74.4-39-174.2-176.462.6-157.700113P25 S26 F54 L55 V61 R62 L170P25-E58 WeakPolarHBondContact CA-OE1 3.48Å; S26-E58 VanDerWaalsContact CB-OE2 3.23Å; S26-E58 WeakPolarHBondContact CB-OE2 3.4Å; S26-E58 PolarHBondContact N-OE1 3.15Å; S26-E58 PolarHBondContact N-OE2 3.09Å; S26-E58 PolarHBondContact OG-OE2 3.46Å; F54-E58 HydrophobicContact CD1-CB 4.34Å; F54-E58 HydrophobicContact CE1-CB 3.93Å; F54-E58 HydrophobicContact CE1-CG 3.93Å; F54-E58 HydrophobicContact CE2-CB 4.19Å; F54-E58 HydrophobicContact CE2-CG 4.34Å; F54-E58 HydrophobicContact CZ-CB 3.85Å; F54-E58 HydrophobicContact CZ-CG 3.66Å; F54-E58 WeakPolarHBondContact O-CB 3.45Å; F54-E58 PolarHBondContact O-N 2.94Å; L55-E58 PolarHBondContact O-N 3.29Å; E58-V61 WeakPolarHBondContact O-CB 3.45Å; E58-V61 PolarHBondContact O-N 3.18Å; E58-R62 HydrophobicContact CG-CG 4.38Å; E58-R62 PolarHBondContact O-N 3.35Å; E58-R62 WeakPolarHBondContact OE1-CG 3.36Å; E58-R62 IonicContact OE1-CZ 3.52Å; E58-R62 IonicContact OE1-NE 3.49Å; E58-R62 PolarHBondContact OE1-NE 2.86Å; E58-R62 IonicContact OE1-NH2 2.73Å; E58-L170 HydrophobicContact CG-CD1 3.97Å
59L98.5Very high97.1Very high2 Ų224.5 Ų24.51%0.0112%0.124CC..Hα-helixtrans-62.4-46.2-179.1-68.9172000112.4L55 V61 R62 L63 I97 I167 L170 L171L55-L59 HydrophobicContact CB-CD1 4.1Å; L55-L59 HydrophobicContact CB-CG 4.35Å; L55-L59 HydrophobicContact CD2-CG 4.33Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.47Å; L55-L59 WeakPolarHBondContact O-CG 3.38Å; L55-L59 PolarHBondContact O-N 3.47Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 3.02Å; L59-R62 PolarHBondContact O-N 3.49Å; L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 3.2Å; L59-I97 HydrophobicContact CB-CG1 4.37Å; L59-I97 HydrophobicContact CB-CG2 4.35Å; L59-I97 HydrophobicContact CD1-CD1 3.82Å; L59-I97 HydrophobicContact CD1-CG1 4.25Å; L59-I167 HydrophobicContact CD2-CG2 4.19Å; L59-L170 HydrophobicContact CD2-CB 4.4Å; L59-L170 HydrophobicContact CD2-CD1 4.19Å; L59-L171 HydrophobicContact CD1-CD2 3.8Å; L59-L171 HydrophobicContact CD2-CD2 4.08Å
60P98.4Very high97.3Very high0 Ų021.5 Ų21.50%011%0.11CC..Hα-helixtrans-58.8-37.6173.6-27.738.4000113.1Y20 R56 Q57 A64 F94 I97 L98Y20-P60 HydrophobicContact CD1-CB 3.65Å; Y20-P60 HydrophobicContact CD2-CB 4.19Å; Y20-P60 HydrophobicContact CE1-CB 3.73Å; Y20-P60 HydrophobicContact CE1-CG 4.42Å; Y20-P60 HydrophobicContact CE2-CB 4.28Å; Y20-P60 HydrophobicContact CG-CB 3.88Å; R56-P60 WeakPolarHBondContact O-CD 3.27Å; R56-P60 WeakPolarHBondContact O-CG 3.42Å; Q57-P60 WeakPolarHBondContact O-CD 3.23Å; P60-A64 WeakPolarHBondContact O-CB 3.38Å; P60-A64 PolarHBondContact O-N 2.78Å; P60-F94 HydrophobicContact CB-CD2 4.13Å; P60-F94 HydrophobicContact CB-CE2 3.69Å; P60-F94 WeakPolarHBondContact O-CE2 3.31Å; P60-I97 HydrophobicContact CG-CB 4.29Å; P60-I97 HydrophobicContact CG-CG2 3.58Å; P60-L98 HydrophobicContact CB-CD2 4.28Å; P60-L98 HydrophobicContact CG-CD2 4.23Å
61V98.7Very high97.4Very high10 Ų1021.6 Ų21.66%0.06111%0.108CC..Hα-helixtrans-62.4-52.2176.8174.20000110.8Y20 F23 P25 Q57 E58 L59 L63 A64 N65Y20-V61 HydrophobicContact CD1-CG2 3.84Å; F23-V61 HydrophobicContact CB-CG1 3.91Å; F23-V61 HydrophobicContact CB-CG2 3.84Å; F23-V61 HydrophobicContact CD2-CG2 4.24Å; F23-V61 HydrophobicContact CG-CG2 4.37Å; P25-V61 HydrophobicContact CG-CG1 4.23Å; Q57-V61 WeakPolarHBondContact O-CG2 3.39Å; E58-V61 WeakPolarHBondContact O-CB 3.45Å; E58-V61 PolarHBondContact O-N 3.18Å; L59-V61 VanDerWaalsContact C-N 3.28Å; L59-V61 PolarHBondContact O-N 3.02Å; V61-L63 PolarHBondContact O-N 2.82Å; V61-A64 PolarHBondContact O-N 2.95Å; V61-N65 WeakPolarHBondContact O-CB 3.23Å; V61-N65 PolarHBondContact O-N 3.1Å; V61-N65 PolarHBondContact O-ND2 2.86Å
62R98.7Very high97.4Very high4 Ų422.8 Ų22.82%0.01511%0.113CC..Hα-helixtrans-62.8-42.8-179.6-66-173.1-175.1-162.34.5112.2P25 S26 E58 L59 I66 S166 I167 L170 E374P25-R62 HydrophobicContact CB-CG 4.16Å; S26-R62 PolarHBondContact O-NH2 2.84Å; E58-R62 HydrophobicContact CG-CG 4.38Å; E58-R62 PolarHBondContact O-N 3.35Å; E58-R62 WeakPolarHBondContact OE1-CG 3.36Å; E58-R62 IonicContact OE1-CZ 3.52Å; E58-R62 IonicContact OE1-NE 3.49Å; E58-R62 PolarHBondContact OE1-NE 2.86Å; E58-R62 IonicContact OE1-NH2 2.73Å; L59-R62 PolarHBondContact O-N 3.49Å; R62-I66 PolarHBondContact O-N 3.08Å; R62-S166 PolarHBondContact NH1-O 3.35Å; R62-S166 PolarHBondContact NH1-OG 3.23Å; R62-S166 VanDerWaalsContact NH1-OG 3.16Å; R62-I167 HydrophobicContact CB-CD1 4.18Å; R62-I167 HydrophobicContact CB-CG1 3.97Å; R62-L170 VanDerWaalsContact CZ-CD1 3.46Å; R62-E374 IonicContact CZ-OE1 3.96Å; R62-E374 IonicContact CZ-OE2 3.16Å; R62-E374 IonicContact NH1-OE1 2.76Å; R62-E374 PolarHBondContact NH1-OE1 3.37Å; R62-E374 IonicContact NH1-OE2 3.6Å; R62-E374 IonicContact NH2-OE1 2.78Å; R62-E374 PolarHBondContact NH2-OE1 2.87Å; R62-E374 IonicContact NH2-OE2 3.83Å; R62-E374 PolarHBondContact NH2-OE2 3.07Å
63L98.6Very high97.3Very high3 Ų323 Ų232%0.01611%0.114CC..Hα-helixtrans-63.3-50.4176.5-71.1169.1000111.4L59 V61 N65 I66 M67 Y90 F94 I167L59-L63 WeakPolarHBondContact O-CB 3.28Å; L59-L63 VanDerWaalsContact O-CG 3.23Å; L59-L63 WeakPolarHBondContact O-CG 3.35Å; L59-L63 PolarHBondContact O-N 3.2Å; V61-L63 PolarHBondContact O-N 2.82Å; L63-N65 PolarHBondContact O-N 2.85Å; L63-I66 WeakPolarHBondContact O-CG2 3.46Å; L63-I66 PolarHBondContact O-N 3.14Å; L63-M67 HydrophobicContact CB-SD 4.39Å; L63-M67 WeakPolarHBondContact O-CB 3.47Å; L63-M67 WeakPolarHBondContact O-CG 3.48Å; L63-M67 PolarHBondContact O-N 2.82Å; L63-Y90 HydrophobicContact CD2-CD1 3.49Å; L63-Y90 VanDerWaalsContact CD2-CD1 3.49Å; L63-Y90 HydrophobicContact CD2-CE1 3.78Å; L63-Y90 HydrophobicContact CD2-CG 4.45Å; L63-F94 HydrophobicContact CB-CD2 4.1Å; L63-F94 HydrophobicContact CD1-CB 4.31Å; L63-I167 HydrophobicContact CD2-CD1 3.81Å; L63-I167 HydrophobicContact CG-CD1 4.25Å
64A98.5Very high97.2Very high0 Ų023.3 Ų23.30%011%0.114CC..Hα-helixtrans-64.2-40.3-177.600000112.6I17 P60 V61 I66 M67 K68 F94I17-A64 HydrophobicContact CG2-CB 4.27Å; P60-A64 WeakPolarHBondContact O-CB 3.38Å; P60-A64 PolarHBondContact O-N 2.78Å; V61-A64 PolarHBondContact O-N 2.95Å; A64-I66 PolarHBondContact O-N 2.9Å; A64-M67 PolarHBondContact O-N 2.79Å; A64-K68 WeakPolarHBondContact O-CG 3.07Å; A64-K68 PolarHBondContact O-N 2.95Å; A64-F94 HydrophobicContact CB-CE2 3.97Å
65N98.6Very high96.9Very high3 Ų325.3 Ų25.32%0.01613%0.127CC..Hα-helixtrans-55.9-50.7175.7-90.8-99.7000110.8F23 V61 L63 K68 E69 Y379F23-N65 PolarHBondContact O-ND2 3.23Å; V61-N65 WeakPolarHBondContact O-CB 3.23Å; V61-N65 PolarHBondContact O-N 3.1Å; V61-N65 PolarHBondContact O-ND2 2.86Å; L63-N65 PolarHBondContact O-N 2.85Å; N65-K68 WeakPolarHBondContact O-CB 3.36Å; N65-K68 PolarHBondContact O-N 3.34Å; N65-E69 PolarHBondContact O-N 2.88Å; N65-Y379 WeakPolarHBondContact OD1-CB 3.48Å; N65-Y379 PolarHBondContact OD1-N 3.42Å
66I98.4Very high96.7Very high1 Ų127.9 Ų27.91%0.00514%0.141CC..Hα-helixtrans-76-33.6-178-162.265.7000112.9R62 L63 A64 K68 E69 I70 Y90 F156 R159 F160R62-I66 PolarHBondContact O-N 3.08Å; L63-I66 WeakPolarHBondContact O-CG2 3.46Å; L63-I66 PolarHBondContact O-N 3.14Å; A64-I66 PolarHBondContact O-N 2.9Å; I66-K68 PolarHBondContact O-N 3.3Å; I66-E69 HydrophobicContact CD1-CB 4.3Å; I66-E69 PolarHBondContact O-N 2.76Å; I66-I70 WeakPolarHBondContact O-CG1 3.27Å; I66-I70 PolarHBondContact O-N 3.19Å; I66-Y90 HydrophobicContact CG2-CD1 4.05Å; I66-Y90 HydrophobicContact CG2-CE1 3.63Å; I66-F156 HydrophobicContact CD1-CE2 4.41Å; I66-R159 HydrophobicContact CD1-CB 4.46Å; I66-F160 VanDerWaalsContact CD1-CA 3.48Å; I66-F160 HydrophobicContact CD1-CB 4.04Å; I66-F160 HydrophobicContact CD1-CD2 4.31Å; I66-F160 HydrophobicContact CG1-CB 4.28Å; I66-F160 HydrophobicContact CG1-CD2 3.63Å; I66-F160 HydrophobicContact CG1-CE2 4.5Å; I66-F160 HydrophobicContact CG1-CG 4.43Å
67M98.1Very high96.6Very high8 Ų825.8 Ų25.84%0.03913%0.133CC..Hα-helixtrans-59.5-35.5173.4-73.4169.774.600112.2I17 L63 A64 I70 N71 Y90 M91 F94I17-M67 HydrophobicContact CD1-CE 3.49Å; I17-M67 VanDerWaalsContact CD1-CE 3.49Å; I17-M67 HydrophobicContact CG1-CE 4.07Å; L63-M67 HydrophobicContact CB-SD 4.39Å; L63-M67 WeakPolarHBondContact O-CB 3.47Å; L63-M67 WeakPolarHBondContact O-CG 3.48Å; L63-M67 PolarHBondContact O-N 2.82Å; A64-M67 PolarHBondContact O-N 2.79Å; M67-I70 PolarHBondContact O-N 3.09Å; M67-N71 PolarHBondContact O-N 2.96Å; M67-N71 PolarHBondContact O-ND2 2.87Å; M67-Y90 HydrophobicContact CG-CD1 4.14Å; M67-Y90 HydrophobicContact CG-CG 4.38Å; M67-M91 HydrophobicContact CE-CB 4.21Å; M67-M91 HydrophobicContact CE-CE 3.56Å; M67-M91 HydrophobicContact CE-SD 3.76Å; M67-F94 HydrophobicContact SD-CB 4.17Å; M67-F94 HydrophobicContact SD-CG 4.44Å
68K97.8Very high96.6Very high46 Ų4621.1 Ų21.120%0.211%0.112CC..Hα-helixtrans-61.9-42.8172.5-81.9-58.6-160.5173.90112.7I17 D18 S21 A64 N65 I66 N71 Y379I17-K68 HydrophobicContact CG2-CD 4.3Å; I17-K68 HydrophobicContact CG2-CG 4.27Å; D18-K68 WeakPolarHBondContact OD1-CE 3.49Å; D18-K68 IonicContact OD1-NZ 2.66Å; D18-K68 PolarHBondContact OD1-NZ 3.46Å; S21-K68 VanDerWaalsContact CB-CG 3.41Å; S21-K68 WeakPolarHBondContact OG-CG 3.47Å; A64-K68 WeakPolarHBondContact O-CG 3.07Å; A64-K68 PolarHBondContact O-N 2.95Å; N65-K68 WeakPolarHBondContact O-CB 3.36Å; N65-K68 PolarHBondContact O-N 3.34Å; I66-K68 PolarHBondContact O-N 3.3Å; K68-N71 PolarHBondContact O-N 2.97Å; K68-Y379 HydrophobicContact CB-CD1 3.69Å; K68-Y379 HydrophobicContact CB-CD2 3.98Å; K68-Y379 HydrophobicContact CB-CE1 3.72Å; K68-Y379 HydrophobicContact CB-CE2 4.02Å; K68-Y379 HydrophobicContact CB-CG 3.81Å; K68-Y379 HydrophobicContact CD-CE1 4.25Å; K68-Y379 HydrophobicContact CG-CD1 3.87Å; K68-Y379 HydrophobicContact CG-CE1 3.78Å; K68-Y379 HydrophobicContact CG-CG 4.47Å
69E97.8Very high96.4Very high1 Ų128.4 Ų28.41%0.00514%0.139CC..Hα-helixtrans-71.1-35.2178.7-67.7-175.6-135.400112.7N65 I66 N71 L72 F156 R159 Y379 Y387N65-E69 PolarHBondContact O-N 2.88Å; I66-E69 HydrophobicContact CD1-CB 4.3Å; I66-E69 PolarHBondContact O-N 2.76Å; E69-N71 PolarHBondContact O-N 3.35Å; E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 3.24Å; E69-F156 HydrophobicContact CB-CD2 4.28Å; E69-F156 HydrophobicContact CB-CE2 4.5Å; E69-R159 IonicContact OE1-CZ 3.73Å; E69-R159 IonicContact OE1-NE 3.5Å; E69-R159 PolarHBondContact OE1-NE 3.43Å; E69-R159 IonicContact OE1-NH2 3.3Å; E69-R159 PolarHBondContact OE1-NH2 3.48Å; E69-R159 WeakPolarHBondContact OE2-CD 3.31Å; E69-R159 IonicContact OE2-CZ 2.82Å; E69-R159 IonicContact OE2-NE 3.55Å; E69-R159 PolarHBondContact OE2-NE 3.02Å; E69-R159 IonicContact OE2-NH2 3.74Å; E69-Y379 HydrophobicContact CG-CD2 3.56Å; E69-Y379 HydrophobicContact CG-CE2 4.26Å; E69-Y379 HydrophobicContact CG-CG 4.4Å; E69-Y387 HydrophobicContact CB-CE2 4.23Å; E69-Y387 HydrophobicContact CG-CE2 4.05Å; E69-Y387 PolarHBondContact OE2-OH 2.89Å
70I96.6Very high96.3Very high1 Ų128.8 Ų28.81%0.00514%0.141CC..Hα-helixtrans-55-46.4171.7-62.8169.2000109.6I66 M67 L72 L73 L78 Q87 F156 F160I66-I70 WeakPolarHBondContact O-CG1 3.27Å; I66-I70 PolarHBondContact O-N 3.19Å; M67-I70 PolarHBondContact O-N 3.09Å; I70-L72 PolarHBondContact O-N 2.51Å; I70-L73 HydrophobicContact CG2-CD1 4.4Å; I70-L73 VanDerWaalsContact O-CB 3.29Å; I70-L73 WeakPolarHBondContact O-CB 3.22Å; I70-L73 WeakPolarHBondContact O-CG 3.26Å; I70-L73 PolarHBondContact O-N 3.4Å; I70-L78 HydrophobicContact CG2-CD2 4.03Å; I70-L78 VanDerWaalsContact O-CD2 3.29Å; I70-L78 WeakPolarHBondContact O-CD2 3.4Å; I70-Q87 HydrophobicContact CG2-CG 3.61Å; I70-F156 HydrophobicContact CB-CE2 4.26Å; I70-F156 HydrophobicContact CB-CZ 4.45Å; I70-F156 HydrophobicContact CG1-CE2 3.59Å; I70-F156 HydrophobicContact CG1-CZ 3.65Å; I70-F160 HydrophobicContact CD1-CD2 4.27Å; I70-F160 HydrophobicContact CD1-CE2 3.91Å; I70-F160 HydrophobicContact CG1-CD2 4.34Å; I70-F160 HydrophobicContact CG1-CE2 4.42Å
71N95.1Very high96.2Very high86 Ų8633 Ų3346%0.4617%0.169SC..THydrogen-bonded Turntrans-68.3-3.5-179.6-65.7-22.2000114.5M67 K68 E69 Q87M67-N71 PolarHBondContact O-N 2.96Å; M67-N71 PolarHBondContact O-ND2 2.87Å; K68-N71 PolarHBondContact O-N 2.97Å; E69-N71 PolarHBondContact O-N 3.35Å; N71-Q87 PolarHBondContact OD1-NE2 3.02Å
72L95.1Very high96.1Very high38 Ų3833.3 Ų33.320%0.19917%0.171CC..THydrogen-bonded Turntrans-98.8-3.5173.3-63.1178.8000113.2E69 I70 Y379 W384 Y387E69-L72 WeakPolarHBondContact O-CB 3.42Å; E69-L72 PolarHBondContact O-N 3.24Å; I70-L72 PolarHBondContact O-N 2.51Å; L72-Y379 HydrophobicContact CD1-CE2 3.73Å; L72-W384 HydrophobicContact CD1-CG 4.48Å; L72-Y387 HydrophobicContact CB-CD1 4.04Å; L72-Y387 HydrophobicContact CB-CD2 3.98Å; L72-Y387 HydrophobicContact CB-CG 3.73Å; L72-Y387 HydrophobicContact CD1-CD2 3.51Å; L72-Y387 HydrophobicContact CD1-CE2 4.1Å; L72-Y387 HydrophobicContact CD1-CG 4.03Å; L72-Y387 HydrophobicContact CG-CD2 4.41Å
73L93.9Very high96.1Very high5 Ų533.1 Ų33.13%0.02617%0.171CC..SBendtrans-63.9157.4171.8-68.6176.2000111.3I70 D75 L77 L78 V153 F156I70-L73 HydrophobicContact CG2-CD1 4.4Å; I70-L73 VanDerWaalsContact O-CB 3.29Å; I70-L73 WeakPolarHBondContact O-CB 3.22Å; I70-L73 WeakPolarHBondContact O-CG 3.26Å; I70-L73 PolarHBondContact O-N 3.4Å; L73-D75 PolarHBondContact O-N 2.99Å; L73-L77 HydrophobicContact CB-CD2 4.38Å; L73-L77 HydrophobicContact CD1-CD2 4.04Å; L73-L77 HydrophobicContact CD2-CD2 4.24Å; L73-L77 HydrophobicContact CG-CD2 4.47Å; L73-L78 HydrophobicContact CB-CD2 4.15Å; L73-L78 HydrophobicContact CB-CG 4.05Å; L73-L78 WeakPolarHBondContact O-CD1 3.33Å; L73-V153 HydrophobicContact CD2-CG2 4.43Å; L73-F156 HydrophobicContact CD1-CD1 3.91Å; L73-F156 HydrophobicContact CD1-CD2 4.49Å; L73-F156 HydrophobicContact CD1-CE1 3.71Å; L73-F156 HydrophobicContact CD1-CE2 4.31Å; L73-F156 HydrophobicContact CD1-CG 4.32Å; L73-F156 HydrophobicContact CD1-CZ 3.93Å; L73-F156 HydrophobicContact CD2-CB 3.88Å; L73-F156 HydrophobicContact CD2-CD1 3.76Å; L73-F156 HydrophobicContact CD2-CD2 4.23Å; L73-F156 HydrophobicContact CD2-CE1 4.42Å; L73-F156 HydrophobicContact CD2-CG 3.67Å; L73-F156 HydrophobicContact CG-CD1 4.29Å; L73-F156 HydrophobicContact CG-CD2 4.39Å; L73-F156 HydrophobicContact CG-CE1 4.49Å; L73-F156 HydrophobicContact CG-CG 4.25Å
74P92.1Very high96Very high38 Ų3837.7 Ų37.725%0.24719%0.192CC..  trans-56.3139.4176.4-24.533.9000112.3N76 L77 L78 V149P74-N76 PolarHBondContact O-N 2.93Å; P74-N76 VanDerWaalsContact O-N 3.1Å; P74-L77 WeakPolarHBondContact O-CA 3.16Å; P74-L77 WeakPolarHBondContact O-CB 3.49Å; P74-L77 PolarHBondContact O-N 3.08Å; P74-L78 PolarHBondContact O-N 3.36Å; P74-V149 HydrophobicContact CG-CG1 3.88Å; P74-V149 HydrophobicContact CG-CG2 4.1Å
75D92.4Very high96Very high106 Ų10641.1 Ų41.157%0.56721%0.21SC*.Hα-helixtrans-52.9-38.5-177.7-71.4-14.7000113.1L73 L77 L78 R79L73-D75 PolarHBondContact O-N 2.99Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.45Å; D75-L78 PolarHBondContact O-N 3.22Å; D75-R79 WeakPolarHBondContact O-CB 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.4Å; D75-R79 PolarHBondContact O-N 3.17Å
76N93.2Very high96Very high58 Ų5841 Ų4131%0.3121%0.209SC..Hα-helixtrans-66-32.4178.8-72.6-9.7000112.7P74 Y139 Y143P74-N76 PolarHBondContact O-N 2.93Å; P74-N76 VanDerWaalsContact O-N 3.1Å; N76-Y139 HydrophobicContact CB-CD2 4.18Å; N76-Y139 HydrophobicContact CB-CE2 3.78Å; N76-Y143 HydrophobicContact CB-CD1 4.39Å; N76-Y143 HydrophobicContact CB-CD2 4.05Å; N76-Y143 HydrophobicContact CB-CE1 4.08Å; N76-Y143 HydrophobicContact CB-CE2 3.73Å; N76-Y143 HydrophobicContact CB-CG 4.38Å; N76-Y143 WeakPolarHBondContact ND2-CE1 3.4Å
77L93.3Very high96Very high1 Ų143.1 Ų43.11%0.00522%0.219CC..Hα-helixtrans-77.4-39.7173.1177.358.3000110.9L73 P74 D75 R79 T80 V83 G135 L136 Y139 V153L73-L77 HydrophobicContact CB-CD2 4.38Å; L73-L77 HydrophobicContact CD1-CD2 4.04Å; L73-L77 HydrophobicContact CD2-CD2 4.24Å; L73-L77 HydrophobicContact CG-CD2 4.47Å; P74-L77 WeakPolarHBondContact O-CA 3.16Å; P74-L77 WeakPolarHBondContact O-CB 3.49Å; P74-L77 PolarHBondContact O-N 3.08Å; D75-L77 VanDerWaalsContact C-N 3.3Å; D75-L77 PolarHBondContact O-N 3.45Å; L77-R79 PolarHBondContact O-N 3.33Å; L77-T80 HydrophobicContact CD1-CG2 4.37Å; L77-T80 WeakPolarHBondContact O-CG2 3.36Å; L77-T80 PolarHBondContact O-N 3.09Å; L77-T80 VanDerWaalsContact O-N 3.15Å; L77-T80 PolarHBondContact O-OG1 3.37Å; L77-V83 HydrophobicContact CD1-CG2 3.86Å; L77-V83 HydrophobicContact CG-CG2 4.24Å; L77-G135 WeakPolarHBondContact CD1-O 3.49Å; L77-L136 HydrophobicContact CD1-CD2 3.87Å; L77-L136 HydrophobicContact CD2-CD2 3.83Å; L77-Y139 HydrophobicContact CB-CD2 3.87Å; L77-Y139 HydrophobicContact CB-CE2 4.32Å; L77-Y139 HydrophobicContact CB-CG 4.27Å; L77-Y139 HydrophobicContact CD1-CD2 4.49Å; L77-Y139 HydrophobicContact CD1-CG 4.12Å; L77-V153 HydrophobicContact CD2-CG2 3.81Å
78L95.6Very high96Very high24 Ų2445.5 Ų45.513%0.12624%0.236CC..Hα-helixtrans-61.9-26.4175.6-76.3177.4000113.7I70 L73 P74 D75 T80 V83 Q84I70-L78 HydrophobicContact CG2-CD2 4.03Å; I70-L78 VanDerWaalsContact O-CD2 3.29Å; I70-L78 WeakPolarHBondContact O-CD2 3.4Å; L73-L78 HydrophobicContact CB-CD2 4.15Å; L73-L78 HydrophobicContact CB-CG 4.05Å; L73-L78 WeakPolarHBondContact O-CD1 3.33Å; P74-L78 PolarHBondContact O-N 3.36Å; D75-L78 PolarHBondContact O-N 3.22Å; L78-T80 VanDerWaalsContact C-N 3.33Å; L78-V83 HydrophobicContact CD2-CG1 4.07Å; L78-Q84 VanDerWaalsContact O-CG 3.25Å; L78-Q84 WeakPolarHBondContact O-CG 3.42Å
79R95.8Very high96Very high162 Ų16245.6 Ų45.661%0.61124%0.236SC*.THydrogen-bonded Turntrans-82.6-6.5178.4-73172-168.5-171.96.1113.9D75 L77D75-R79 WeakPolarHBondContact O-CB 3.3Å; D75-R79 WeakPolarHBondContact O-CG 3.4Å; D75-R79 PolarHBondContact O-N 3.17Å; L77-R79 PolarHBondContact O-N 3.33Å
80T96Very high96Very high9 Ų945.6 Ų45.66%0.05524%0.235CC..SBendtrans-70.6136.8178.670.70000110L77 L78 S82 V83 Q84 E138L77-T80 HydrophobicContact CD1-CG2 4.37Å; L77-T80 WeakPolarHBondContact O-CG2 3.36Å; L77-T80 PolarHBondContact O-N 3.09Å; L77-T80 VanDerWaalsContact O-N 3.15Å; L77-T80 PolarHBondContact O-OG1 3.37Å; L78-T80 VanDerWaalsContact C-N 3.33Å; T80-S82 PolarHBondContact O-N 3.21Å; T80-S82 VanDerWaalsContact O-N 3.16Å; T80-V83 PolarHBondContact O-N 2.87Å; T80-V83 VanDerWaalsContact O-N 3.12Å; T80-V83 WeakPolarHBondContact OG1-CB 3.06Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.18Å; T80-Q84 WeakPolarHBondContact O-CG 3.37Å; T80-Q84 PolarHBondContact O-N 3.36Å; T80-Q84 VanDerWaalsContact O-N 3.1Å; T80-E138 VanDerWaalsContact CB-OE2 3.23Å; T80-E138 WeakPolarHBondContact CB-OE2 3.42Å; T80-E138 HydrophobicContact CG2-CB 4.07Å
81P97.2Very high96.1Very high90 Ų9048.7 Ų48.758%0.58425%0.251SS*.Hα-helixtrans-53.8-38.3-176.3-28.334.6000113.2Q84 L85 E138P81-Q84 PolarHBondContact O-N 2.98Å; P81-L85 WeakPolarHBondContact O-CB 3.31Å; P81-L85 PolarHBondContact O-N 3.48Å; P81-E138 WeakPolarHBondContact CD-OE2 3.45Å
82S96.5Very high96.2Very high15 Ų1549.1 Ų49.111%0.10525%0.25CC..Hα-helixtrans-67.3-40.7-179.8-71.80000112.9T80 L85 V86 T131 Q134 E138T80-S82 PolarHBondContact O-N 3.21Å; T80-S82 VanDerWaalsContact O-N 3.16Å; S82-L85 PolarHBondContact O-N 3.22Å; S82-V86 WeakPolarHBondContact O-CG2 3.08Å; S82-V86 PolarHBondContact O-N 3.07Å; S82-V86 VanDerWaalsContact O-N 3.12Å; S82-T131 VanDerWaalsContact CB-O 3.31Å; S82-T131 WeakPolarHBondContact CB-O 3.34Å; S82-T131 WeakPolarHBondContact O-CG2 3.31Å; S82-Q134 WeakPolarHBondContact OG-CG 3.41Å; S82-E138 WeakPolarHBondContact CB-OE2 3.48Å; S82-E138 PolarHBondContact N-OE2 3.44Å; S82-E138 PolarHBondContact OG-OE1 3.43Å; S82-E138 PolarHBondContact OG-OE2 2.86Å
83V97Very high96.3Very high0 Ų047.3 Ų47.30%024%0.24CC..Hα-helixtrans-68.3-39.5176.8173.90000111L77 L78 T80 L85 V86 Q87 M132L77-V83 HydrophobicContact CD1-CG2 3.86Å; L77-V83 HydrophobicContact CG-CG2 4.24Å; L78-V83 HydrophobicContact CD2-CG1 4.07Å; T80-V83 PolarHBondContact O-N 2.87Å; T80-V83 VanDerWaalsContact O-N 3.12Å; T80-V83 WeakPolarHBondContact OG1-CB 3.06Å; T80-V83 WeakPolarHBondContact OG1-CG2 3.18Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 3.48Å; V83-V86 PolarHBondContact O-N 3.49Å; V83-Q87 PolarHBondContact O-N 3.17Å; V83-M132 HydrophobicContact CG2-SD 4.03Å
84Q98.1Very high96.6Very high99 Ų9947 Ų4746%0.46324%0.239SC..Hα-helixtrans-62.3-39.6175.2-67.4-178.2-27.400112.1L78 T80 P81 Q87 S88L78-Q84 VanDerWaalsContact O-CG 3.25Å; L78-Q84 WeakPolarHBondContact O-CG 3.42Å; T80-Q84 WeakPolarHBondContact O-CG 3.37Å; T80-Q84 PolarHBondContact O-N 3.36Å; T80-Q84 VanDerWaalsContact O-N 3.1Å; P81-Q84 PolarHBondContact O-N 2.98Å; Q84-Q87 PolarHBondContact O-N 3.25Å; Q84-S88 PolarHBondContact O-N 2.88Å
85L97.9Very high96.8Very high73 Ų7348.2 Ų48.238%0.38224%0.242SC..Hα-helixtrans-61.3-46.2175.1-178.358.7000111.1P81 S82 V83 Q87 S88 W89 T131P81-L85 WeakPolarHBondContact O-CB 3.31Å; P81-L85 PolarHBondContact O-N 3.48Å; S82-L85 PolarHBondContact O-N 3.22Å; V83-L85 VanDerWaalsContact C-N 3.32Å; V83-L85 PolarHBondContact O-N 3.48Å; L85-Q87 PolarHBondContact O-N 2.91Å; L85-S88 WeakPolarHBondContact O-CB 3.48Å; L85-S88 PolarHBondContact O-N 3.06Å; L85-S88 PolarHBondContact O-OG 3.5Å; L85-W89 HydrophobicContact CD1-CZ2 3.82Å; L85-W89 HydrophobicContact CD2-CH2 3.78Å; L85-W89 HydrophobicContact CD2-CZ2 3.56Å; L85-W89 HydrophobicContact CG-CD2 4.29Å; L85-W89 HydrophobicContact CG-CH2 3.87Å; L85-W89 HydrophobicContact CG-CZ2 3.49Å; L85-W89 VanDerWaalsContact CG-CZ2 3.49Å; L85-W89 HydrophobicContact CG-CZ3 4.4Å; L85-W89 PolarHBondContact O-N 2.9Å; L85-W89 VanDerWaalsContact O-N 3.09Å; L85-T131 HydrophobicContact CB-CG2 4.43Å; L85-T131 HydrophobicContact CD2-CG2 4.07Å; L85-T131 HydrophobicContact CG-CG2 4.48Å
86V98.2Very high97Very high0 Ų044.4 Ų44.40%022%0.221CC..Hα-helixtrans-60.7-45.9175.21750000111.3S82 V83 S88 W89 Y90 V128 T131 M132 F160S82-V86 WeakPolarHBondContact O-CG2 3.08Å; S82-V86 PolarHBondContact O-N 3.07Å; S82-V86 VanDerWaalsContact O-N 3.12Å; V83-V86 PolarHBondContact O-N 3.49Å; V86-S88 VanDerWaalsContact C-N 3.26Å; V86-S88 PolarHBondContact O-N 2.87Å; V86-W89 HydrophobicContact CG2-CE3 4.19Å; V86-W89 HydrophobicContact CG2-CZ3 4.13Å; V86-W89 PolarHBondContact O-N 3.12Å; V86-W89 VanDerWaalsContact O-N 3.14Å; V86-Y90 HydrophobicContact CG1-CD2 3.82Å; V86-Y90 HydrophobicContact CG1-CE2 3.78Å; V86-Y90 WeakPolarHBondContact O-CD2 3.34Å; V86-Y90 PolarHBondContact O-N 2.96Å; V86-Y90 VanDerWaalsContact O-N 3.1Å; V86-V128 HydrophobicContact CG1-CG1 4.25Å; V86-T131 HydrophobicContact CG2-CG2 3.8Å; V86-M132 HydrophobicContact CB-CE 4.23Å; V86-M132 HydrophobicContact CG1-CE 3.87Å; V86-M132 HydrophobicContact CG2-CB 4.46Å; V86-M132 HydrophobicContact CG2-CE 4.42Å; V86-F160 HydrophobicContact CG1-CE2 4.27Å; V86-F160 HydrophobicContact CG1-CZ 3.75Å
87Q97.8Very high97.2Very high46 Ų4641.7 Ų41.722%0.21521%0.206CC..Hα-helixtrans-56.4-41.7175.5-76.8-179.7-47.300111.9I70 N71 V83 Q84 L85 W89 Y90 M91I70-Q87 HydrophobicContact CG2-CG 3.61Å; N71-Q87 PolarHBondContact OD1-NE2 3.02Å; V83-Q87 PolarHBondContact O-N 3.17Å; Q84-Q87 PolarHBondContact O-N 3.25Å; L85-Q87 PolarHBondContact O-N 2.91Å; Q87-W89 VanDerWaalsContact C-N 3.34Å; Q87-W89 PolarHBondContact O-N 3.26Å; Q87-Y90 PolarHBondContact O-N 3.44Å; Q87-M91 WeakPolarHBondContact O-CB 3.44Å; Q87-M91 PolarHBondContact O-N 3.07Å
88S97.9Very high97.4Very high57 Ų5742.6 Ų42.640%0.39921%0.211SC..Hα-helixtrans-63.1-39178.382.90000112.5Q84 L85 V86 M91 Q92Q84-S88 PolarHBondContact O-N 2.88Å; L85-S88 WeakPolarHBondContact O-CB 3.48Å; L85-S88 PolarHBondContact O-N 3.06Å; L85-S88 PolarHBondContact O-OG 3.5Å; V86-S88 VanDerWaalsContact C-N 3.26Å; V86-S88 PolarHBondContact O-N 2.87Å; S88-M91 PolarHBondContact O-N 2.8Å; S88-Q92 WeakPolarHBondContact O-CB 3.29Å; S88-Q92 PolarHBondContact O-N 3.2Å
89W98.5Very high97.4Very high48 Ų4845.8 Ų45.818%0.18223%0.228CC..Hα-helixtrans-66.8-42.2177.4-66.6-24.8000112.6L85 V86 Q87 S93 R124 D127 V128 T131L85-W89 HydrophobicContact CD1-CZ2 3.82Å; L85-W89 HydrophobicContact CD2-CH2 3.78Å; L85-W89 HydrophobicContact CD2-CZ2 3.56Å; L85-W89 HydrophobicContact CG-CD2 4.29Å; L85-W89 HydrophobicContact CG-CH2 3.87Å; L85-W89 HydrophobicContact CG-CZ2 3.49Å; L85-W89 VanDerWaalsContact CG-CZ2 3.49Å; L85-W89 HydrophobicContact CG-CZ3 4.4Å; L85-W89 PolarHBondContact O-N 2.9Å; L85-W89 VanDerWaalsContact O-N 3.09Å; V86-W89 HydrophobicContact CG2-CE3 4.19Å; V86-W89 HydrophobicContact CG2-CZ3 4.13Å; V86-W89 PolarHBondContact O-N 3.12Å; V86-W89 VanDerWaalsContact O-N 3.14Å; Q87-W89 VanDerWaalsContact C-N 3.34Å; Q87-W89 PolarHBondContact O-N 3.26Å; W89-S93 WeakPolarHBondContact O-CB 3.43Å; W89-S93 PolarHBondContact O-N 3.34Å; W89-S93 PolarHBondContact O-OG 2.9Å; W89-R124 HydrophobicContact CB-CG 4.04Å; W89-R124 HydrophobicContact CG-CG 3.9Å; W89-D127 HydrophobicContact CH2-CB 4.29Å; W89-V128 HydrophobicContact CE3-CG2 3.78Å; W89-V128 HydrophobicContact CZ3-CG2 4.09Å; W89-T131 HydrophobicContact CH2-CG2 4.16Å; W89-T131 WeakPolarHBondContact CH2-OG1 3.28Å; W89-T131 HydrophobicContact CZ3-CG2 4.13Å
90Y98.4Very high97.4Very high1 Ų138.6 Ų38.60%0.00420%0.202CC..Hα-helixtrans-65.7-42.8175.7-86.3-101.9000111.2L63 I66 M67 V86 Q87 S93 F94 H125 V128 F160L63-Y90 HydrophobicContact CD2-CD1 3.49Å; L63-Y90 VanDerWaalsContact CD2-CD1 3.49Å; L63-Y90 HydrophobicContact CD2-CE1 3.78Å; L63-Y90 HydrophobicContact CD2-CG 4.45Å; I66-Y90 HydrophobicContact CG2-CD1 4.05Å; I66-Y90 HydrophobicContact CG2-CE1 3.63Å; M67-Y90 HydrophobicContact CG-CD1 4.14Å; M67-Y90 HydrophobicContact CG-CG 4.38Å; V86-Y90 HydrophobicContact CG1-CD2 3.82Å; V86-Y90 HydrophobicContact CG1-CE2 3.78Å; V86-Y90 WeakPolarHBondContact O-CD2 3.34Å; V86-Y90 PolarHBondContact O-N 2.96Å; V86-Y90 VanDerWaalsContact O-N 3.1Å; Q87-Y90 PolarHBondContact O-N 3.44Å; Y90-S93 PolarHBondContact O-N 2.66Å; Y90-F94 VanDerWaalsContact O-CB 3.31Å; Y90-F94 WeakPolarHBondContact O-CB 3.44Å; Y90-F94 PolarHBondContact O-N 3.03Å; Y90-H125 AromaticContact CD2-NE2 3.86Å; Y90-H125 AromaticContact CE2-CD2 3.83Å; Y90-H125 AromaticContact CE2-NE2 3.96Å; Y90-V128 HydrophobicContact CE2-CG1 4.2Å; Y90-V128 HydrophobicContact CE2-CG2 4.4Å; Y90-F160 HydrophobicContact CE1-CE2 4.34Å; Y90-F160 AromaticContact CE2-CE2 3.65Å; Y90-F160 HydrophobicContact CE2-CE2 3.65Å; Y90-F160 AromaticContact CE2-CZ 3.74Å; Y90-F160 HydrophobicContact CE2-CZ 3.74Å; Y90-F160 AromaticContact CZ-CE2 3.52Å; Y90-F160 AromaticContact CZ-CZ 3.9Å; Y90-F160 VanDerWaalsContact OH-CE2 3.29Å; Y90-F160 WeakPolarHBondContact OH-CE2 3.47Å; Y90-F160 WeakPolarHBondContact OH-CZ 3.41Å
91M97.7Very high97.3Very high67 Ų6742.2 Ų42.233%0.3322%0.217SC..Hα-helixtrans-60.3-47.4176.1-169.26766.600112I13 I17 M67 Q87 S88 S93 F94 Q95I13-M91 HydrophobicContact CB-SD 4.38Å; I13-M91 HydrophobicContact CD1-CG 4.08Å; I13-M91 HydrophobicContact CD1-SD 3.53Å; I13-M91 VanDerWaalsContact CD1-SD 3.53Å; I13-M91 HydrophobicContact CG1-SD 3.74Å; I13-M91 HydrophobicContact CG2-SD 3.72Å; I17-M91 HydrophobicContact CD1-CE 3.65Å; I17-M91 HydrophobicContact CD1-SD 3.73Å; M67-M91 HydrophobicContact CE-CB 4.21Å; M67-M91 HydrophobicContact CE-CE 3.56Å; M67-M91 HydrophobicContact CE-SD 3.76Å; Q87-M91 WeakPolarHBondContact O-CB 3.44Å; Q87-M91 PolarHBondContact O-N 3.07Å; S88-M91 PolarHBondContact O-N 2.8Å; M91-S93 VanDerWaalsContact C-N 3.34Å; M91-S93 PolarHBondContact O-N 3.01Å; M91-F94 PolarHBondContact O-N 3.36Å; M91-Q95 PolarHBondContact O-N 2.81Å
92Q97.6Very high97Very high94 Ų9444.7 Ų44.744%0.43923%0.225SC..Hα-helixtrans-62.7-43.5177.9-174.461.357.700111.1S88 F94 Q95 D96S88-Q92 WeakPolarHBondContact O-CB 3.29Å; S88-Q92 PolarHBondContact O-N 3.2Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 3.16Å; Q92-Q95 PolarHBondContact O-N 2.84Å; Q92-D96 PolarHBondContact NE2-OD1 3.19Å; Q92-D96 WeakPolarHBondContact O-CB 3.37Å; Q92-D96 PolarHBondContact O-N 2.73Å
93S98.3Very high96.9Very high0 Ų047.4 Ų47.40%024%0.235CC..Hα-helixtrans-67.6-35.4-179.7-54.10000112.6W89 Y90 M91 D96 I97 R124 H125W89-S93 WeakPolarHBondContact O-CB 3.43Å; W89-S93 PolarHBondContact O-N 3.34Å; W89-S93 PolarHBondContact O-OG 2.9Å; Y90-S93 PolarHBondContact O-N 2.66Å; M91-S93 VanDerWaalsContact C-N 3.34Å; M91-S93 PolarHBondContact O-N 3.01Å; S93-D96 PolarHBondContact O-N 3.46Å; S93-I97 WeakPolarHBondContact O-CG1 3.38Å; S93-I97 PolarHBondContact O-N 2.82Å; S93-R124 PolarHBondContact OG-NH1 3.16Å; S93-H125 PolarHBondContact OG-CE1 3.16Å
94F98.3Very high96.6Very high0 Ų052.1 Ų52.10%026%0.26CS..Hα-helixtrans-62.7-47173-177.6-103.1000110.9I13 D16 I17 Y20 P60 L63 A64 M67 Y90 M91 Q92 I97 L98I13-F94 HydrophobicContact CD1-CD1 4.04Å; I13-F94 HydrophobicContact CG1-CD1 3.76Å; I13-F94 HydrophobicContact CG1-CE1 3.93Å; D16-F94 HydrophobicContact CB-CE1 3.8Å; D16-F94 HydrophobicContact CB-CZ 4Å; I17-F94 HydrophobicContact CG1-CD1 4.04Å; I17-F94 HydrophobicContact CG1-CE1 3.66Å; I17-F94 HydrophobicContact CG1-CZ 4Å; Y20-F94 HydrophobicContact CD2-CE2 4.09Å; Y20-F94 AromaticContact CD2-CZ 3.76Å; Y20-F94 HydrophobicContact CD2-CZ 3.76Å; Y20-F94 HydrophobicContact CE2-CZ 4.48Å; Y20-F94 HydrophobicContact CG-CE2 4.3Å; Y20-F94 HydrophobicContact CG-CZ 4.36Å; P60-F94 HydrophobicContact CB-CD2 4.13Å; P60-F94 HydrophobicContact CB-CE2 3.69Å; P60-F94 WeakPolarHBondContact O-CE2 3.31Å; L63-F94 HydrophobicContact CB-CD2 4.1Å; L63-F94 HydrophobicContact CD1-CB 4.31Å; A64-F94 HydrophobicContact CB-CE2 3.97Å; M67-F94 HydrophobicContact SD-CB 4.17Å; M67-F94 HydrophobicContact SD-CG 4.44Å; Y90-F94 VanDerWaalsContact O-CB 3.31Å; Y90-F94 WeakPolarHBondContact O-CB 3.44Å; Y90-F94 PolarHBondContact O-N 3.03Å; M91-F94 PolarHBondContact O-N 3.36Å; Q92-F94 VanDerWaalsContact C-N 3.33Å; Q92-F94 PolarHBondContact O-N 3.16Å; F94-I97 PolarHBondContact O-N 3.28Å; F94-L98 HydrophobicContact CD1-CD1 3.79Å; F94-L98 HydrophobicContact CD1-CG 4.35Å; F94-L98 HydrophobicContact CE1-CD1 3.31Å; F94-L98 HydrophobicContact CE1-CG 4.12Å; F94-L98 HydrophobicContact CZ-CD1 3.76Å; F94-L98 HydrophobicContact CZ-CD2 4.44Å; F94-L98 HydrophobicContact CZ-CG 4.27Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 3.19Å
95Q97.1Very high96.2Very high63 Ų6348.1 Ų48.129%0.29424%0.244SC..Hα-helixtrans-61.1-46.4175.3-175.260.565.600112.1I13 M91 Q92 I97 L98 D99I13-Q95 HydrophobicContact CD1-CB 3.89Å; M91-Q95 PolarHBondContact O-N 2.81Å; Q92-Q95 PolarHBondContact O-N 2.84Å; Q95-I97 PolarHBondContact O-N 3Å; Q95-L98 PolarHBondContact O-N 3.36Å; Q95-L98 VanDerWaalsContact O-N 3.08Å; Q95-D99 PolarHBondContact NE2-OD1 2.82Å; Q95-D99 PolarHBondContact O-N 2.86Å; Q95-D99 VanDerWaalsContact O-N 3.15Å
96D97.1Very high95.8Very high26 Ų2649.5 Ų49.514%0.13925%0.252CS..Hα-helixtrans-56.1-37.8-179.7-67.9-12.4000111.9Q92 S93 F100 I121 R124Q92-D96 PolarHBondContact NE2-OD1 3.19Å; Q92-D96 WeakPolarHBondContact O-CB 3.37Å; Q92-D96 PolarHBondContact O-N 2.73Å; S93-D96 PolarHBondContact O-N 3.46Å; D96-F100 VanDerWaalsContact O-CD2 3.23Å; D96-F100 WeakPolarHBondContact O-CD2 3.23Å; D96-F100 VanDerWaalsContact O-CE2 3.3Å; D96-F100 WeakPolarHBondContact O-CE2 3.21Å; D96-I121 HydrophobicContact CB-CD1 4.08Å; D96-I121 HydrophobicContact CB-CG1 4.4Å; D96-R124 IonicContact OD2-CZ 3.07Å; D96-R124 IonicContact OD2-NH1 3.61Å; D96-R124 PolarHBondContact OD2-NH1 3.16Å; D96-R124 IonicContact OD2-NH2 2.87Å; D96-R124 PolarHBondContact OD2-NH2 2.76Å
97I97.6Very high95.5Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-78-37.5176.9-61-63.3000111.9L59 P60 S93 F94 Q95 D99 F100 F114 I121L59-I97 HydrophobicContact CB-CG1 4.37Å; L59-I97 HydrophobicContact CB-CG2 4.35Å; L59-I97 HydrophobicContact CD1-CD1 3.82Å; L59-I97 HydrophobicContact CD1-CG1 4.25Å; P60-I97 HydrophobicContact CG-CB 4.29Å; P60-I97 HydrophobicContact CG-CG2 3.58Å; S93-I97 WeakPolarHBondContact O-CG1 3.38Å; S93-I97 PolarHBondContact O-N 2.82Å; F94-I97 PolarHBondContact O-N 3.28Å; Q95-I97 PolarHBondContact O-N 3Å; I97-D99 PolarHBondContact O-N 3.35Å; I97-F100 WeakPolarHBondContact O-CB 3.47Å; I97-F100 PolarHBondContact O-N 2.69Å; I97-F114 HydrophobicContact CD1-CE2 3.9Å; I97-F114 HydrophobicContact CD1-CZ 4.44Å; I97-I121 HydrophobicContact CD1-CD1 3.31Å; I97-I121 HydrophobicContact CG1-CD1 3.52Å
98L95.9Very high95Very high21 Ų2157.5 Ų57.511%0.1129%0.292CS..Hα-helixtrans-61.6-26.7178.7-75.7-173.6000113.1D16 Y20 P60 F94 Q95 F100 K101D16-L98 HydrophobicContact CB-CD1 3.85Å; Y20-L98 HydrophobicContact CD2-CD2 4.25Å; Y20-L98 HydrophobicContact CE2-CD2 3.42Å; Y20-L98 VanDerWaalsContact CE2-CD2 3.42Å; P60-L98 HydrophobicContact CB-CD2 4.28Å; P60-L98 HydrophobicContact CG-CD2 4.23Å; F94-L98 HydrophobicContact CD1-CD1 3.79Å; F94-L98 HydrophobicContact CD1-CG 4.35Å; F94-L98 HydrophobicContact CE1-CD1 3.31Å; F94-L98 HydrophobicContact CE1-CG 4.12Å; F94-L98 HydrophobicContact CZ-CD1 3.76Å; F94-L98 HydrophobicContact CZ-CD2 4.44Å; F94-L98 HydrophobicContact CZ-CG 4.27Å; F94-L98 WeakPolarHBondContact O-CG 3.48Å; F94-L98 PolarHBondContact O-N 3.19Å; Q95-L98 PolarHBondContact O-N 3.36Å; Q95-L98 VanDerWaalsContact O-N 3.08Å; L98-F100 PolarHBondContact O-N 2.77Å; L98-K101 VanDerWaalsContact O-CB 3.24Å; L98-K101 WeakPolarHBondContact O-CB 3.34Å; L98-K101 PolarHBondContact O-N 2.86Å
99D95.5Very high94.8Very high90 Ų9060.9 Ų60.948%0.48130%0.299SS..THydrogen-bonded Turntrans-59.7-13.8172.5-68.8-3.5000112.9Q95 I97 K103Q95-D99 PolarHBondContact NE2-OD1 2.82Å; Q95-D99 PolarHBondContact O-N 2.86Å; Q95-D99 VanDerWaalsContact O-N 3.15Å; I97-D99 PolarHBondContact O-N 3.35Å; D99-K103 WeakPolarHBondContact O-CD 3.24Å; D99-K103 WeakPolarHBondContact O-CE 3.39Å; D99-K103 PolarHBondContact O-NZ 2.83Å
100F96.7Very high94.6Very high12 Ų1259.2 Ų59.25%0.05329%0.294CS..THydrogen-bonded Turntrans-105.6-2.5177.2-62.3-93.2000114.6F52 D96 I97 L98 D102 K103 V110 D113 F114 A117F52-F100 HydrophobicContact CE2-CB 4Å; F52-F100 AromaticContact CE2-CD1 3.97Å; F52-F100 HydrophobicContact CE2-CD1 3.97Å; F52-F100 HydrophobicContact CE2-CG 4.34Å; F52-F100 HydrophobicContact CZ-CB 4.29Å; D96-F100 VanDerWaalsContact O-CD2 3.23Å; D96-F100 WeakPolarHBondContact O-CD2 3.23Å; D96-F100 VanDerWaalsContact O-CE2 3.3Å; D96-F100 WeakPolarHBondContact O-CE2 3.21Å; I97-F100 WeakPolarHBondContact O-CB 3.47Å; I97-F100 PolarHBondContact O-N 2.69Å; L98-F100 PolarHBondContact O-N 2.77Å; F100-D102 VanDerWaalsContact C-N 3.33Å; F100-D102 PolarHBondContact O-N 2.73Å; F100-K103 HydrophobicContact CB-CD 4.49Å; F100-K103 HydrophobicContact CD1-CD 3.71Å; F100-K103 HydrophobicContact CE1-CD 4.27Å; F100-K103 HydrophobicContact CG-CD 4.29Å; F100-K103 PolarHBondContact O-N 3.35Å; F100-V110 HydrophobicContact CD1-CG1 4.1Å; F100-D113 HydrophobicContact CE1-CB 3.99Å; F100-D113 HydrophobicContact CZ-CB 4.18Å; F100-F114 HydrophobicContact CB-CD2 4.09Å; F100-F114 HydrophobicContact CD1-CB 3.84Å; F100-F114 AromaticContact CD1-CD2 3.93Å; F100-F114 HydrophobicContact CD1-CD2 3.93Å; F100-F114 HydrophobicContact CD1-CG 4.39Å; F100-F114 AromaticContact CD2-CD2 3.93Å; F100-F114 HydrophobicContact CD2-CD2 3.93Å; F100-F114 HydrophobicContact CE1-CB 3.68Å; F100-F114 HydrophobicContact CE1-CD2 4.35Å; F100-F114 HydrophobicContact CE2-CD2 4.34Å; F100-F114 HydrophobicContact CG-CB 4.48Å; F100-F114 AromaticContact CG-CD2 3.72Å; F100-F114 HydrophobicContact CG-CD2 3.72Å; F100-F114 HydrophobicContact CZ-CB 4.19Å; F100-A117 HydrophobicContact CE2-CB 3.78Å; F100-A117 HydrophobicContact CZ-CB 4.06Å
101K93Very high94.2Very high85 Ų8559.5 Ų59.537%0.3730%0.296SS..THydrogen-bonded Turntrans-49.8-50.7-173.7180-168.1170.9-1720112.8R56 L98R56-K101 PolarHBondContact NH1-O 3.49Å; L98-K101 VanDerWaalsContact O-CB 3.24Å; L98-K101 WeakPolarHBondContact O-CB 3.34Å; L98-K101 PolarHBondContact O-N 2.86Å
102D92.6Very high93.9Very high141 Ų14163.1 Ų63.175%0.75431%0.307SS*.THydrogen-bonded Turntrans-104.38.5-173.2-55-48.9000112.9F100F100-D102 VanDerWaalsContact C-N 3.33Å; F100-D102 PolarHBondContact O-N 2.73Å
103K94.2Very high93.8Very high72 Ų7261.1 Ų61.131%0.31330%0.3SS..  trans-77.1150.8-179-66.1-173.6175.6157.50111.9F52 R56 D99 F100 V110F52-K103 HydrophobicContact CZ-CB 4.49Å; R56-K103 PolarHBondContact NH1-O 2.96Å; D99-K103 WeakPolarHBondContact O-CD 3.24Å; D99-K103 WeakPolarHBondContact O-CE 3.39Å; D99-K103 PolarHBondContact O-NZ 2.83Å; F100-K103 HydrophobicContact CB-CD 4.49Å; F100-K103 HydrophobicContact CD1-CD 3.71Å; F100-K103 HydrophobicContact CE1-CD 4.27Å; F100-K103 HydrophobicContact CG-CD 4.29Å; F100-K103 PolarHBondContact O-N 3.35Å; K103-V110 HydrophobicContact CB-CG1 3.57Å; K103-V110 HydrophobicContact CB-CG2 4.23Å; K103-V110 HydrophobicContact CD-CG1 3.79Å; K103-V110 HydrophobicContact CD-CG2 4.03Å; K103-V110 HydrophobicContact CG-CG1 4.34Å
104N91.1Very high93.7Very high99 Ų9961.1 Ų61.153%0.52930%0.3SS..  trans-77.5131.3179.2-169-2.8000110.9D106 D107N104-D106 PolarHBondContact O-N 3.43Å; N104-D106 PolarHBondContact OD1-N 3.12Å; N104-D107 PolarHBondContact O-N 3.44Å
105A89.3Confident93.5Very high16 Ų1661.4 Ų61.413%0.13230%0.301CS..THydrogen-bonded Turntrans-69.9-22.3174.500000112.4K49 F52 D107 T111K49-A105 HydrophobicContact CB-CB 4.41Å; K49-A105 WeakPolarHBondContact CG-O 3.3Å; F52-A105 HydrophobicContact CD1-CB 3.58Å; F52-A105 HydrophobicContact CE1-CB 3.82Å; A105-D107 PolarHBondContact O-N 2.88Å; A105-T111 WeakPolarHBondContact O-CG2 3.31Å
106D88.8Confident93.4Very high102 Ų10261 Ų6155%0.54530%0.301SS..THydrogen-bonded Turntrans-76.4-10.4178.8-66.9-46.2000114.2K49 N104 E108K49-D106 IonicContact NZ-OD1 3.44Å; K49-D106 PolarHBondContact NZ-OD1 3.03Å; N104-D106 PolarHBondContact O-N 3.43Å; N104-D106 PolarHBondContact OD1-N 3.12Å; D106-E108 PolarHBondContact O-N 3.28Å
107D91.6Very high93.4Very high78 Ų7860.2 Ų60.242%0.41730%0.298SS..  trans-84.9108175-175.5-17.4000110N104 A105 K109 V110 T111N104-D107 PolarHBondContact O-N 3.44Å; A105-D107 PolarHBondContact O-N 2.88Å; D107-K109 PolarHBondContact O-N 3.08Å; D107-K109 VanDerWaalsContact OD1-CB 3.3Å; D107-K109 WeakPolarHBondContact OD1-CB 3.44Å; D107-K109 PolarHBondContact OD1-N 3.01Å; D107-V110 HydrophobicContact CB-CB 4.01Å; D107-V110 HydrophobicContact CB-CG2 3.75Å; D107-V110 WeakPolarHBondContact O-CA 3.35Å; D107-V110 VanDerWaalsContact O-CB 3.32Å; D107-V110 WeakPolarHBondContact O-CB 3.43Å; D107-V110 PolarHBondContact O-N 2.94Å; D107-T111 PolarHBondContact O-N 3.38Å; D107-T111 VanDerWaalsContact O-N 3.16Å
108E88.4Confident93.3Very high135 Ų13560.2 Ų60.263%0.63130%0.298SS*.Hα-helixtrans-58.9-30.7-179.9-65.6-176.1169.300112.9D106 V110 T111 Y112D106-E108 PolarHBondContact O-N 3.28Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.06Å; E108-T111 PolarHBondContact O-N 2.82Å; E108-T111 PolarHBondContact O-OG1 3.2Å; E108-Y112 WeakPolarHBondContact O-CB 3.4Å; E108-Y112 PolarHBondContact O-N 3.21Å
109K92.7Very high93.3Very high128 Ų12861 Ų6156%0.55730%0.302SS*.Hα-helixtrans-67.4-37175.8-171.7-174.4179.9-59.10110.4D107 D113D107-K109 PolarHBondContact O-N 3.08Å; D107-K109 VanDerWaalsContact OD1-CB 3.3Å; D107-K109 WeakPolarHBondContact OD1-CB 3.44Å; D107-K109 PolarHBondContact OD1-N 3.01Å; K109-D113 IonicContact NZ-OD1 3.16Å; K109-D113 PolarHBondContact NZ-OD1 2.88Å; K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 2.94Å; K109-D113 VanDerWaalsContact O-CB 3.3Å; K109-D113 WeakPolarHBondContact O-CB 3.49Å; K109-D113 PolarHBondContact O-N 3.28Å
110V94.3Very high93.3Very high13 Ų1362.8 Ų62.88%0.07931%0.306CS..Hα-helixtrans-66.6-44.5177.9169.40000111.1F52 F100 K103 D107 E108 D113 F114F52-V110 HydrophobicContact CE1-CG1 4.48Å; F52-V110 HydrophobicContact CE2-CG1 4.01Å; F52-V110 HydrophobicContact CZ-CG1 3.73Å; F100-V110 HydrophobicContact CD1-CG1 4.1Å; K103-V110 HydrophobicContact CB-CG1 3.57Å; K103-V110 HydrophobicContact CB-CG2 4.23Å; K103-V110 HydrophobicContact CD-CG1 3.79Å; K103-V110 HydrophobicContact CD-CG2 4.03Å; K103-V110 HydrophobicContact CG-CG1 4.34Å; D107-V110 HydrophobicContact CB-CB 4.01Å; D107-V110 HydrophobicContact CB-CG2 3.75Å; D107-V110 WeakPolarHBondContact O-CA 3.35Å; D107-V110 VanDerWaalsContact O-CB 3.32Å; D107-V110 WeakPolarHBondContact O-CB 3.43Å; D107-V110 PolarHBondContact O-N 2.94Å; E108-V110 VanDerWaalsContact C-N 3.29Å; E108-V110 PolarHBondContact O-N 3.06Å; V110-D113 PolarHBondContact O-N 3.36Å; V110-F114 WeakPolarHBondContact O-CB 3.17Å; V110-F114 PolarHBondContact O-N 3.21Å
111T91.1Very high93.4Very high7 Ų762.4 Ų62.44%0.04330%0.304CS..Hα-helixtrans-65.6-41.5178.657.20000111F52 A105 D107 E108 F114 T115F52-T111 HydrophobicContact CB-CG2 4.46Å; F52-T111 HydrophobicContact CG-CG2 4.39Å; A105-T111 WeakPolarHBondContact O-CG2 3.31Å; D107-T111 PolarHBondContact O-N 3.38Å; D107-T111 VanDerWaalsContact O-N 3.16Å; E108-T111 PolarHBondContact O-N 2.82Å; E108-T111 PolarHBondContact O-OG1 3.2Å; T111-F114 WeakPolarHBondContact O-CB 3.24Å; T111-F114 PolarHBondContact O-N 3.31Å; T111-T115 PolarHBondContact O-N 2.94Å; T111-T115 PolarHBondContact O-OG1 3.26Å; T111-T115 VanDerWaalsContact O-OG1 3.12Å
112Y91.3Very high93.5Very high144 Ų14461.3 Ų61.357%0.56530%0.298SS*.Hα-helixtrans-59.7-51172.8-178.3-86.6000112.6E108 F114 T115 D116E108-Y112 WeakPolarHBondContact O-CB 3.4Å; E108-Y112 PolarHBondContact O-N 3.21Å; Y112-F114 PolarHBondContact O-N 3.35Å; Y112-T115 WeakPolarHBondContact O-CB 3.42Å; Y112-T115 PolarHBondContact O-N 3.21Å; Y112-D116 WeakPolarHBondContact CE1-OD2 2.98Å; Y112-D116 PolarHBondContact O-N 2.98Å
113D94.9Very high93.6Very high52 Ų5258.2 Ų58.228%0.27828%0.281SS..Hα-helixtrans-60.7-33.2178.5-73.5-17.1000111.3F100 K109 V110 A117F100-D113 HydrophobicContact CE1-CB 3.99Å; F100-D113 HydrophobicContact CZ-CB 4.18Å; K109-D113 IonicContact NZ-OD1 3.16Å; K109-D113 PolarHBondContact NZ-OD1 2.88Å; K109-D113 IonicContact NZ-OD2 2.69Å; K109-D113 PolarHBondContact NZ-OD2 2.94Å; K109-D113 VanDerWaalsContact O-CB 3.3Å; K109-D113 WeakPolarHBondContact O-CB 3.49Å; K109-D113 PolarHBondContact O-N 3.28Å; V110-D113 PolarHBondContact O-N 3.36Å; D113-A117 PolarHBondContact O-N 3.15Å
114F96.6Very high93.7Very high0 Ų057.7 Ų57.70%028%0.277CS..Hα-helixtrans-68.1-46.1175.7179.5-99.2000111.6F52 L55 R56 I97 F100 V110 T111 Y112 D116 A117 V118 H174F52-F114 HydrophobicContact CD2-CB 3.71Å; F52-F114 AromaticContact CD2-CD1 3.64Å; F52-F114 HydrophobicContact CD2-CD1 3.64Å; F52-F114 AromaticContact CD2-CD2 3.74Å; F52-F114 HydrophobicContact CD2-CD2 3.74Å; F52-F114 HydrophobicContact CD2-CE1 4.12Å; F52-F114 HydrophobicContact CD2-CE2 4.22Å; F52-F114 AromaticContact CD2-CG 3.41Å; F52-F114 HydrophobicContact CD2-CG 3.41Å; F52-F114 VanDerWaalsContact CD2-CG 3.41Å; F52-F114 HydrophobicContact CD2-CZ 4.39Å; F52-F114 HydrophobicContact CE2-CB 3.84Å; F52-F114 HydrophobicContact CE2-CD1 4.42Å; F52-F114 AromaticContact CE2-CD2 3.73Å; F52-F114 HydrophobicContact CE2-CD2 3.73Å; F52-F114 HydrophobicContact CE2-CE2 4.35Å; F52-F114 AromaticContact CE2-CG 3.75Å; F52-F114 HydrophobicContact CE2-CG 3.75Å; L55-F114 HydrophobicContact CB-CE1 4.08Å; L55-F114 HydrophobicContact CB-CZ 3.7Å; L55-F114 HydrophobicContact CD1-CE1 4.3Å; R56-F114 HydrophobicContact CB-CE2 4.29Å; I97-F114 HydrophobicContact CD1-CE2 3.9Å; I97-F114 HydrophobicContact CD1-CZ 4.44Å; F100-F114 HydrophobicContact CB-CD2 4.09Å; F100-F114 HydrophobicContact CD1-CB 3.84Å; F100-F114 AromaticContact CD1-CD2 3.93Å; F100-F114 HydrophobicContact CD1-CD2 3.93Å; F100-F114 HydrophobicContact CD1-CG 4.39Å; F100-F114 AromaticContact CD2-CD2 3.93Å; F100-F114 HydrophobicContact CD2-CD2 3.93Å; F100-F114 HydrophobicContact CE1-CB 3.68Å; F100-F114 HydrophobicContact CE1-CD2 4.35Å; F100-F114 HydrophobicContact CE2-CD2 4.34Å; F100-F114 HydrophobicContact CG-CB 4.48Å; F100-F114 AromaticContact CG-CD2 3.72Å; F100-F114 HydrophobicContact CG-CD2 3.72Å; F100-F114 HydrophobicContact CZ-CB 4.19Å; V110-F114 WeakPolarHBondContact O-CB 3.17Å; V110-F114 PolarHBondContact O-N 3.21Å; T111-F114 WeakPolarHBondContact O-CB 3.24Å; T111-F114 PolarHBondContact O-N 3.31Å; Y112-F114 PolarHBondContact O-N 3.35Å; F114-D116 VanDerWaalsContact C-N 3.26Å; F114-D116 PolarHBondContact O-N 3.45Å; F114-A117 CarbonylContact O-C 3.58Å; F114-A117 WeakPolarHBondContact O-CA 3.37Å; F114-A117 WeakPolarHBondContact O-CB 3.31Å; F114-A117 PolarHBondContact O-N 3.12Å; F114-V118 HydrophobicContact CD1-CG2 3.85Å; F114-V118 HydrophobicContact CE1-CG2 3.48Å; F114-V118 VanDerWaalsContact CE1-CG2 3.48Å; F114-V118 HydrophobicContact CE2-CG2 4.33Å; F114-V118 HydrophobicContact CG-CG2 4.43Å; F114-V118 HydrophobicContact CZ-CG2 3.74Å; F114-V118 WeakPolarHBondContact O-CG2 3.25Å; F114-V118 PolarHBondContact O-N 2.99Å; F114-H174 AromaticContact CD1-CE1 3.94Å; F114-H174 AromaticContact CD1-NE2 3.66Å; F114-H174 AromaticContact CE1-CE1 3.92Å; F114-H174 AromaticContact CE1-NE2 3.87Å
115T94.4Very high94Very high6 Ų653.6 Ų53.64%0.03726%0.255CS..Hα-helixtrans-56.7-42.8175.5-61.80000111E48 T111 Y112 A117 V118 I119 H174E48-T115 PolarHBondContact OE1-OG1 3.14Å; T111-T115 PolarHBondContact O-N 2.94Å; T111-T115 PolarHBondContact O-OG1 3.26Å; T111-T115 VanDerWaalsContact O-OG1 3.12Å; Y112-T115 WeakPolarHBondContact O-CB 3.42Å; Y112-T115 PolarHBondContact O-N 3.21Å; T115-A117 PolarHBondContact O-N 3.23Å; T115-V118 WeakPolarHBondContact O-CB 3.44Å; T115-V118 PolarHBondContact O-N 2.95Å; T115-I119 HydrophobicContact CG2-CD1 4.38Å; T115-I119 WeakPolarHBondContact O-CG1 3.23Å; T115-I119 PolarHBondContact O-N 3.43Å; T115-H174 PolarHBondContact OG1-NE2 2.54Å; T115-H174 VanDerWaalsContact OG1-NE2 3.07Å
116D94.5Very high94.2Very high53 Ų5356.2 Ų56.228%0.28327%0.267SS..Hα-helixtrans-61.8-40.7173-89.3-8.8000112.7Y112 F114 I119 K120Y112-D116 WeakPolarHBondContact CE1-OD2 2.98Å; Y112-D116 PolarHBondContact O-N 2.98Å; F114-D116 VanDerWaalsContact C-N 3.26Å; F114-D116 PolarHBondContact O-N 3.45Å; D116-I119 PolarHBondContact O-N 3.44Å; D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.3Å
117A96.9Very high94.4Very high10 Ų1056 Ų568%0.08327%0.266CS..Hα-helixtrans-64.2-43.3175.300000111.8F100 D113 F114 T115 I119 K120 I121F100-A117 HydrophobicContact CE2-CB 3.78Å; F100-A117 HydrophobicContact CZ-CB 4.06Å; D113-A117 PolarHBondContact O-N 3.15Å; F114-A117 CarbonylContact O-C 3.58Å; F114-A117 WeakPolarHBondContact O-CA 3.37Å; F114-A117 WeakPolarHBondContact O-CB 3.31Å; F114-A117 PolarHBondContact O-N 3.12Å; T115-A117 PolarHBondContact O-N 3.23Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 3.01Å; A117-K120 WeakPolarHBondContact O-CB 3.34Å; A117-K120 PolarHBondContact O-N 3.47Å; A117-I121 WeakPolarHBondContact O-CB 3.49Å; A117-I121 WeakPolarHBondContact O-CD1 3.5Å; A117-I121 VanDerWaalsContact O-CG1 3.24Å; A117-I121 WeakPolarHBondContact O-CG1 3.36Å; A117-I121 PolarHBondContact O-N 3.39Å
118V96.1Very high94.5Very high0 Ų052.3 Ų52.30%025%0.246CC..Hα-helixtrans-58.3-44.7175.3169.50000110.9F114 T115 I121 R122 L171 H174 T175F114-V118 HydrophobicContact CD1-CG2 3.85Å; F114-V118 HydrophobicContact CE1-CG2 3.48Å; F114-V118 VanDerWaalsContact CE1-CG2 3.48Å; F114-V118 HydrophobicContact CE2-CG2 4.33Å; F114-V118 HydrophobicContact CG-CG2 4.43Å; F114-V118 HydrophobicContact CZ-CG2 3.74Å; F114-V118 WeakPolarHBondContact O-CG2 3.25Å; F114-V118 PolarHBondContact O-N 2.99Å; T115-V118 WeakPolarHBondContact O-CB 3.44Å; T115-V118 PolarHBondContact O-N 2.95Å; V118-I121 PolarHBondContact O-N 2.78Å; V118-R122 WeakPolarHBondContact O-CB 3.24Å; V118-R122 PolarHBondContact O-N 3.01Å; V118-L171 HydrophobicContact CB-CD2 4.29Å; V118-L171 HydrophobicContact CG1-CB 4.05Å; V118-L171 HydrophobicContact CG1-CD2 3.59Å; V118-L171 HydrophobicContact CG1-CG 4.4Å; V118-L171 HydrophobicContact CG2-CD2 4.35Å; V118-H174 HydrophobicContact CG1-CB 4.43Å; V118-T175 HydrophobicContact CB-CG2 4.41Å; V118-T175 HydrophobicContact CG1-CG2 3.53Å
119I94.8Very high94.7Very high39 Ų3947.6 Ų47.620%0.223%0.225CC..Hα-helixtrans-62.2-46176.2-67167.2000110.9T115 D116 A117 I121 R122 N123 T175T115-I119 HydrophobicContact CG2-CD1 4.38Å; T115-I119 WeakPolarHBondContact O-CG1 3.23Å; T115-I119 PolarHBondContact O-N 3.43Å; D116-I119 PolarHBondContact O-N 3.44Å; A117-I119 VanDerWaalsContact C-N 3.34Å; A117-I119 PolarHBondContact O-N 3.01Å; I119-I121 PolarHBondContact O-N 2.88Å; I119-R122 PolarHBondContact O-N 3.01Å; I119-N123 VanDerWaalsContact O-CG 3.23Å; I119-N123 PolarHBondContact O-N 2.94Å; I119-N123 PolarHBondContact O-ND2 2.92Å; I119-N123 PolarHBondContact O-OD1 3.4Å; I119-T175 HydrophobicContact CD1-CG2 4.48Å; I119-T175 HydrophobicContact CG1-CG2 3.5Å
120K96.5Very high94.6Very high127 Ų12744.4 Ų44.455%0.55222%0.217SC*.Hα-helixtrans-59.9-45.2177.8-72.9166.9-172.4165.90111.5D116 A117 N123 R124D116-K120 VanDerWaalsContact O-CG 3.28Å; D116-K120 WeakPolarHBondContact O-CG 3.3Å; D116-K120 PolarHBondContact O-N 3.3Å; A117-K120 WeakPolarHBondContact O-CB 3.34Å; A117-K120 PolarHBondContact O-N 3.47Å; K120-N123 PolarHBondContact O-N 2.93Å; K120-R124 WeakPolarHBondContact O-CB 3.44Å; K120-R124 PolarHBondContact O-N 2.84Å
121I97.6Very high94.5Very high3 Ų344.8 Ų44.82%0.01522%0.219CC..Hα-helixtrans-62.7-45.7177.8-70.3164000110.7D96 I97 A117 V118 I119 N123 R124 H125 L171D96-I121 HydrophobicContact CB-CD1 4.08Å; D96-I121 HydrophobicContact CB-CG1 4.4Å; I97-I121 HydrophobicContact CD1-CD1 3.31Å; I97-I121 HydrophobicContact CG1-CD1 3.52Å; A117-I121 WeakPolarHBondContact O-CB 3.49Å; A117-I121 WeakPolarHBondContact O-CD1 3.5Å; A117-I121 VanDerWaalsContact O-CG1 3.24Å; A117-I121 WeakPolarHBondContact O-CG1 3.36Å; A117-I121 PolarHBondContact O-N 3.39Å; V118-I121 PolarHBondContact O-N 2.78Å; I119-I121 PolarHBondContact O-N 2.88Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 2.78Å; I121-R124 PolarHBondContact O-N 3.21Å; I121-H125 PolarHBondContact O-N 3.47Å; I121-H125 PolarHBondContact O-ND1 2.77Å; I121-L171 HydrophobicContact CG2-CD1 3.86Å; I121-L171 HydrophobicContact CG2-CD2 4.41Å
122R95.4Very high94.7Very high62 Ų6244.5 Ų44.523%0.23422%0.218CC..Hα-helixtrans-56.4-47.8177.1-176.2-169.667.6-167.22.9111.1V118 I119 H125 N126 L171 N172 T175V118-R122 WeakPolarHBondContact O-CB 3.24Å; V118-R122 PolarHBondContact O-N 3.01Å; I119-R122 PolarHBondContact O-N 3.01Å; R122-H125 PolarHBondContact O-N 3.04Å; R122-N126 PolarHBondContact O-OD1 3.35Å; R122-L171 HydrophobicContact CB-CB 4.4Å; R122-L171 HydrophobicContact CB-CD1 4.13Å; R122-N172 VanDerWaalsContact CD-OD1 3.24Å; R122-N172 WeakPolarHBondContact CD-OD1 3.44Å; R122-T175 PolarHBondContact NH1-OG1 3.44Å
123N95.1Very high94.7Very high77 Ų7737.9 Ų37.941%0.41219%0.193SC..Hα-helixtrans-67.9-40.7-177.8-64.9-12.1000111.9I119 K120 I121 H125 N126I119-N123 VanDerWaalsContact O-CG 3.23Å; I119-N123 PolarHBondContact O-N 2.94Å; I119-N123 PolarHBondContact O-ND2 2.92Å; I119-N123 PolarHBondContact O-OD1 3.4Å; K120-N123 PolarHBondContact O-N 2.93Å; I121-N123 VanDerWaalsContact C-N 3.32Å; I121-N123 PolarHBondContact O-N 2.78Å; N123-H125 PolarHBondContact O-N 3.31Å; N123-N126 WeakPolarHBondContact O-CB 3.45Å; N123-N126 PolarHBondContact O-N 2.81Å; N123-N126 PolarHBondContact O-ND2 3.48Å
124R97.4Very high94.4Very high60 Ų6037.9 Ų37.923%0.22619%0.191CC..Hα-helixtrans-56.6-36.3175.9-175.9-176.1-58.2126.90112.6W89 S93 D96 K120 I121 N126W89-R124 HydrophobicContact CB-CG 4.04Å; W89-R124 HydrophobicContact CG-CG 3.9Å; S93-R124 PolarHBondContact OG-NH1 3.16Å; D96-R124 IonicContact OD2-CZ 3.07Å; D96-R124 IonicContact OD2-NH1 3.61Å; D96-R124 PolarHBondContact OD2-NH1 3.16Å; D96-R124 IonicContact OD2-NH2 2.87Å; D96-R124 PolarHBondContact OD2-NH2 2.76Å; K120-R124 WeakPolarHBondContact O-CB 3.44Å; K120-R124 PolarHBondContact O-N 2.84Å; I121-R124 PolarHBondContact O-N 3.21Å; R124-N126 VanDerWaalsContact C-N 3.35Å
125H97Very high94.2Very high13 Ų1337.9 Ų37.96%0.0619%0.191CC..THydrogen-bonded Turntrans-87.53.9-176.6-68.3102.4000114.4Y90 S93 I121 R122 N123 D127 V128 R164Y90-H125 AromaticContact CD2-NE2 3.86Å; Y90-H125 AromaticContact CE2-CD2 3.83Å; Y90-H125 AromaticContact CE2-NE2 3.96Å; S93-H125 PolarHBondContact OG-CE1 3.16Å; I121-H125 PolarHBondContact O-N 3.47Å; I121-H125 PolarHBondContact O-ND1 2.77Å; R122-H125 PolarHBondContact O-N 3.04Å; N123-H125 PolarHBondContact O-N 3.31Å; H125-D127 VanDerWaalsContact C-N 3.28Å; H125-D127 PolarHBondContact O-N 3.04Å; H125-V128 HydrophobicContact CB-CG2 3.81Å; H125-V128 WeakPolarHBondContact O-CB 3.37Å; H125-V128 VanDerWaalsContact O-CG2 3.29Å; H125-V128 WeakPolarHBondContact O-CG2 3.28Å; H125-V128 PolarHBondContact O-N 3.27Å; H125-R164 PolarHBondContact O-NE 2.69Å; H125-R164 PolarHBondContact O-NH2 2.76Å
126N92.1Very high94Very high71 Ų7138.3 Ų38.338%0.3819%0.193SC..THydrogen-bonded Turntrans-55.8-42.9-177.3-81.3-22.2000112.4R122 N123 R124 R164 R168R122-N126 PolarHBondContact O-OD1 3.35Å; N123-N126 WeakPolarHBondContact O-CB 3.45Å; N123-N126 PolarHBondContact O-N 2.81Å; N123-N126 PolarHBondContact O-ND2 3.48Å; R124-N126 VanDerWaalsContact C-N 3.35Å; N126-R164 PolarHBondContact O-NH2 2.93Å; N126-R168 PolarHBondContact OD1-NH1 3.41Å
127D92.8Very high93.7Very high99 Ų9937.5 Ų37.553%0.52919%0.19SC..THydrogen-bonded Turntrans-94.58.3-174.1-59.5-43.3000114.4W89 H125 I129 P130 T131W89-D127 HydrophobicContact CH2-CB 4.29Å; H125-D127 VanDerWaalsContact C-N 3.28Å; H125-D127 PolarHBondContact O-N 3.04Å; D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 2.93Å; D127-P130 HydrophobicContact CB-CG 4.26Å; D127-P130 WeakPolarHBondContact O-CD 3.45Å; D127-P130 VanDerWaalsContact O-CG 3.28Å; D127-P130 WeakPolarHBondContact O-CG 3.35Å; D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.41Å; D127-T131 PolarHBondContact O-N 2.85Å; D127-T131 PolarHBondContact O-OG1 3.38Å
128V95.3Very high93.4Very high0 Ų039 Ų390%020%0.195CC..Hα-helixtrans-56.7-40.2-178.6167.70000113.5V86 W89 Y90 H125 M132 F160V86-V128 HydrophobicContact CG1-CG1 4.25Å; W89-V128 HydrophobicContact CE3-CG2 3.78Å; W89-V128 HydrophobicContact CZ3-CG2 4.09Å; Y90-V128 HydrophobicContact CE2-CG1 4.2Å; Y90-V128 HydrophobicContact CE2-CG2 4.4Å; H125-V128 HydrophobicContact CB-CG2 3.81Å; H125-V128 WeakPolarHBondContact O-CB 3.37Å; H125-V128 VanDerWaalsContact O-CG2 3.29Å; H125-V128 WeakPolarHBondContact O-CG2 3.28Å; H125-V128 PolarHBondContact O-N 3.27Å; V128-M132 WeakPolarHBondContact O-CB 3.46Å; V128-M132 PolarHBondContact O-N 2.73Å; V128-F160 HydrophobicContact CG1-CE1 3.62Å; V128-F160 HydrophobicContact CG1-CZ 3.42Å; V128-F160 VanDerWaalsContact CG1-CZ 3.42Å
129I91.7Very high93.2Very high36 Ų3640.2 Ų40.219%0.18520%0.2CC..Hα-helixtrans-66.5-57.3-179.5-62.1174.7000110.9D127 T131 M132 A133 Y161 R164 Y333 I337D127-I129 VanDerWaalsContact C-N 3.3Å; D127-I129 PolarHBondContact O-N 2.93Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.48Å; I129-M132 PolarHBondContact O-N 2.85Å; I129-A133 WeakPolarHBondContact O-CB 3.31Å; I129-A133 PolarHBondContact O-N 3.33Å; I129-Y161 HydrophobicContact CB-CE1 4.21Å; I129-Y161 HydrophobicContact CG1-CD1 3.87Å; I129-Y161 HydrophobicContact CG1-CE1 3.73Å; I129-Y161 HydrophobicContact CG2-CE1 4.26Å; I129-R164 VanDerWaalsContact CD1-NH1 3.34Å; I129-Y333 HydrophobicContact CG2-CD1 3.86Å; I129-Y333 HydrophobicContact CG2-CE1 4.29Å; I129-I337 HydrophobicContact CD1-CD1 4.18Å; I129-I337 HydrophobicContact CG2-CD1 3.85Å
130P90.9Very high92.8Very high61 Ų6142.2 Ų42.240%0.39621%0.207SC..Hα-helixtrans-62.2-36.6178.721.9-32.1000112.6D127 A133 Q134D127-P130 HydrophobicContact CB-CG 4.26Å; D127-P130 WeakPolarHBondContact O-CD 3.45Å; D127-P130 VanDerWaalsContact O-CG 3.28Å; D127-P130 WeakPolarHBondContact O-CG 3.35Å; P130-A133 PolarHBondContact O-N 2.84Å; P130-Q134 WeakPolarHBondContact O-CB 3.42Å; P130-Q134 PolarHBondContact O-N 3.26Å
131T93.1Very high92.4Very high21 Ų2142 Ų4213%0.12921%0.208CC..Hα-helixtrans-65.9-45.3176.1-55.30000112S82 L85 V86 W89 D127 I129 A133 Q134 G135S82-T131 VanDerWaalsContact CB-O 3.31Å; S82-T131 WeakPolarHBondContact CB-O 3.34Å; S82-T131 WeakPolarHBondContact O-CG2 3.31Å; L85-T131 HydrophobicContact CB-CG2 4.43Å; L85-T131 HydrophobicContact CD2-CG2 4.07Å; L85-T131 HydrophobicContact CG-CG2 4.48Å; V86-T131 HydrophobicContact CG2-CG2 3.8Å; W89-T131 HydrophobicContact CH2-CG2 4.16Å; W89-T131 WeakPolarHBondContact CH2-OG1 3.28Å; W89-T131 HydrophobicContact CZ3-CG2 4.13Å; D127-T131 VanDerWaalsContact O-CB 3.3Å; D127-T131 WeakPolarHBondContact O-CB 3.41Å; D127-T131 PolarHBondContact O-N 2.85Å; D127-T131 PolarHBondContact O-OG1 3.38Å; I129-T131 VanDerWaalsContact C-N 3.31Å; I129-T131 PolarHBondContact O-N 3.48Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.81Å; T131-Q134 WeakPolarHBondContact O-CB 3.23Å; T131-Q134 PolarHBondContact O-N 3.39Å; T131-G135 PolarHBondContact O-N 3.42Å
132M94.8Very high92Very high1 Ų146.6 Ų46.61%0.00524%0.236CC..Hα-helixtrans-64.1-38.6176.7-17962.774.500111.6V83 V86 V128 I129 Q134 G135 L136 F156 L157 F160 Y161V83-M132 HydrophobicContact CG2-SD 4.03Å; V86-M132 HydrophobicContact CB-CE 4.23Å; V86-M132 HydrophobicContact CG1-CE 3.87Å; V86-M132 HydrophobicContact CG2-CB 4.46Å; V86-M132 HydrophobicContact CG2-CE 4.42Å; V128-M132 WeakPolarHBondContact O-CB 3.46Å; V128-M132 PolarHBondContact O-N 2.73Å; I129-M132 PolarHBondContact O-N 2.85Å; M132-Q134 VanDerWaalsContact C-N 3.33Å; M132-Q134 PolarHBondContact O-N 3.39Å; M132-G135 PolarHBondContact O-N 3.15Å; M132-L136 PolarHBondContact O-N 2.91Å; M132-F156 HydrophobicContact CE-CE1 4.1Å; M132-F156 HydrophobicContact CE-CZ 4.16Å; M132-F156 HydrophobicContact SD-CE1 4.27Å; M132-L157 HydrophobicContact CG-CD2 3.82Å; M132-F160 HydrophobicContact CB-CE1 4.2Å; M132-F160 HydrophobicContact CE-CD1 4.37Å; M132-F160 HydrophobicContact CE-CE1 3.86Å; M132-F160 HydrophobicContact CE-CE2 4.26Å; M132-F160 HydrophobicContact CE-CZ 3.81Å; M132-F160 HydrophobicContact CG-CD1 4.39Å; M132-F160 HydrophobicContact CG-CE1 4.07Å; M132-Y161 VanDerWaalsContact CB-OH 3.3Å; M132-Y161 WeakPolarHBondContact CB-OH 3.47Å; M132-Y161 WeakPolarHBondContact CG-OH 3.24Å
133A91Very high91.7Very high5 Ų549 Ų494%0.04125%0.246CC..Hα-helixtrans-59.5-43.7173.100000111.9I129 P130 T131 G135 L136 V137 Y333I129-A133 WeakPolarHBondContact O-CB 3.31Å; I129-A133 PolarHBondContact O-N 3.33Å; P130-A133 PolarHBondContact O-N 2.84Å; T131-A133 VanDerWaalsContact C-N 3.32Å; T131-A133 PolarHBondContact O-N 2.81Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 2.9Å; A133-L136 PolarHBondContact O-N 2.97Å; A133-V137 PolarHBondContact O-N 3.39Å; A133-V137 VanDerWaalsContact O-N 3.16Å; A133-Y333 WeakPolarHBondContact CA-OH 3.34Å; A133-Y333 HydrophobicContact CB-CD1 4.42Å; A133-Y333 HydrophobicContact CB-CE1 3.73Å; A133-Y333 HydrophobicContact CB-CE2 4Å
134Q89.5Confident91.2Very high51 Ų5147 Ų4724%0.23824%0.243CC..Hα-helixtrans-60.7-39.2175.3-176.757.930.400112S82 P130 T131 M132 L136 V137 E138S82-Q134 WeakPolarHBondContact OG-CG 3.41Å; P130-Q134 WeakPolarHBondContact O-CB 3.42Å; P130-Q134 PolarHBondContact O-N 3.26Å; T131-Q134 WeakPolarHBondContact O-CB 3.23Å; T131-Q134 PolarHBondContact O-N 3.39Å; M132-Q134 VanDerWaalsContact C-N 3.33Å; M132-Q134 PolarHBondContact O-N 3.39Å; Q134-L136 VanDerWaalsContact C-N 3.28Å; Q134-L136 PolarHBondContact O-N 3.32Å; Q134-V137 WeakPolarHBondContact O-CB 3.17Å; Q134-V137 PolarHBondContact O-N 2.86Å; Q134-V137 VanDerWaalsContact O-N 3.07Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.45Å; Q134-E138 WeakPolarHBondContact O-CG 3.34Å; Q134-E138 PolarHBondContact O-N 2.95Å
135G92.1Very high90.3Very high0 Ų048.4 Ų48.40%026%0.258CS..Hα-helixtrans-61.4-32.9175.500000114.3L77 T131 M132 A133 Y139L77-G135 WeakPolarHBondContact CD1-O 3.49Å; T131-G135 PolarHBondContact O-N 3.42Å; M132-G135 PolarHBondContact O-N 3.15Å; A133-G135 VanDerWaalsContact C-N 3.31Å; A133-G135 PolarHBondContact O-N 2.9Å; G135-Y139 WeakPolarHBondContact O-CB 3.33Å; G135-Y139 PolarHBondContact O-N 3.03Å; G135-Y139 VanDerWaalsContact O-N 3.14Å
136L90.6Very high89.5Confident16 Ų1651.1 Ų51.18%0.08427%0.273CS..Hα-helixtrans-73.5-34.4172.9-61.3179.2000112.5L77 M132 A133 Q134 Y139 K140 V153 L157 Y333L77-L136 HydrophobicContact CD1-CD2 3.87Å; L77-L136 HydrophobicContact CD2-CD2 3.83Å; M132-L136 PolarHBondContact O-N 2.91Å; A133-L136 PolarHBondContact O-N 2.97Å; Q134-L136 VanDerWaalsContact C-N 3.28Å; Q134-L136 PolarHBondContact O-N 3.32Å; L136-Y139 PolarHBondContact O-N 3.42Å; L136-K140 VanDerWaalsContact O-CB 3.3Å; L136-K140 WeakPolarHBondContact O-CB 3.4Å; L136-K140 PolarHBondContact O-N 2.82Å; L136-V153 HydrophobicContact CD1-CG1 4.17Å; L136-V153 HydrophobicContact CD2-CG1 3.62Å; L136-L157 HydrophobicContact CD1-CD1 3.46Å; L136-L157 VanDerWaalsContact CD1-CD1 3.46Å; L136-L157 HydrophobicContact CD1-CD2 4.3Å; L136-L157 HydrophobicContact CD1-CG 4.47Å; L136-Y333 WeakPolarHBondContact CD1-OH 3.48Å
137V88.1Confident88.9Confident36 Ų3652.7 Ų52.722%0.21829%0.288CS..Hα-helixtrans-63.8-49.8174.5174.40000109.7A133 Q134 Y139 K140 E141A133-V137 PolarHBondContact O-N 3.39Å; A133-V137 VanDerWaalsContact O-N 3.16Å; Q134-V137 WeakPolarHBondContact O-CB 3.17Å; Q134-V137 PolarHBondContact O-N 2.86Å; Q134-V137 VanDerWaalsContact O-N 3.07Å; V137-Y139 VanDerWaalsContact C-N 3.27Å; V137-Y139 PolarHBondContact O-N 3.48Å; V137-K140 PolarHBondContact O-N 3.07Å; V137-K140 VanDerWaalsContact O-N 3.15Å; V137-E141 HydrophobicContact CG1-CG 4.34Å; V137-E141 WeakPolarHBondContact CG1-OE1 3.2Å; V137-E141 WeakPolarHBondContact O-CG 3.49Å; V137-E141 PolarHBondContact O-N 3.29Å
138E90.5Very high88.1Confident40 Ų4050.2 Ų50.219%0.18728%0.276CS..Hα-helixtrans-52.8-45.3175.4-71.4164-171.300111.6T80 P81 S82 Q134 T142T80-E138 VanDerWaalsContact CB-OE2 3.23Å; T80-E138 WeakPolarHBondContact CB-OE2 3.42Å; T80-E138 HydrophobicContact CG2-CB 4.07Å; P81-E138 WeakPolarHBondContact CD-OE2 3.45Å; S82-E138 WeakPolarHBondContact CB-OE2 3.48Å; S82-E138 PolarHBondContact N-OE2 3.44Å; S82-E138 PolarHBondContact OG-OE1 3.43Å; S82-E138 PolarHBondContact OG-OE2 2.86Å; Q134-E138 WeakPolarHBondContact CG-OE1 3.45Å; Q134-E138 WeakPolarHBondContact O-CG 3.34Å; Q134-E138 PolarHBondContact O-N 2.95Å; E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3Å
139Y90.8Very high87.5Confident27 Ų2751 Ų5111%0.10628%0.281CS..Hα-helixtrans-64.5-49.8176.8174.6-97.7000112.3N76 L77 G135 L136 V137 E141 T142 Y143 V149N76-Y139 HydrophobicContact CB-CD2 4.18Å; N76-Y139 HydrophobicContact CB-CE2 3.78Å; L77-Y139 HydrophobicContact CB-CD2 3.87Å; L77-Y139 HydrophobicContact CB-CE2 4.32Å; L77-Y139 HydrophobicContact CB-CG 4.27Å; L77-Y139 HydrophobicContact CD1-CD2 4.49Å; L77-Y139 HydrophobicContact CD1-CG 4.12Å; G135-Y139 WeakPolarHBondContact O-CB 3.33Å; G135-Y139 PolarHBondContact O-N 3.03Å; G135-Y139 VanDerWaalsContact O-N 3.14Å; L136-Y139 PolarHBondContact O-N 3.42Å; V137-Y139 VanDerWaalsContact C-N 3.27Å; V137-Y139 PolarHBondContact O-N 3.48Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 2.89Å; Y139-T142 PolarHBondContact O-N 3.12Å; Y139-Y143 AromaticContact CD2-CD2 3.5Å; Y139-Y143 HydrophobicContact CD2-CD2 3.5Å; Y139-Y143 HydrophobicContact CD2-CE2 4.18Å; Y139-Y143 HydrophobicContact CD2-CG 4.26Å; Y139-Y143 AromaticContact CE2-CD2 3.72Å; Y139-Y143 HydrophobicContact CE2-CD2 3.72Å; Y139-Y143 HydrophobicContact CE2-CG 4.04Å; Y139-Y143 HydrophobicContact CG-CD2 4.28Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.42Å; Y139-Y143 PolarHBondContact O-N 3.24Å; Y139-V149 HydrophobicContact CE1-CG1 3.93Å
140K87.4Confident87.2Confident80 Ų8050.7 Ų50.735%0.34828%0.282SS..Hα-helixtrans-64.2-37.3-175.7-175.7177.4-179.6177.10112.5L136 V137 T142 G144 T145L136-K140 VanDerWaalsContact O-CB 3.3Å; L136-K140 WeakPolarHBondContact O-CB 3.4Å; L136-K140 PolarHBondContact O-N 2.82Å; V137-K140 PolarHBondContact O-N 3.07Å; V137-K140 VanDerWaalsContact O-N 3.15Å; K140-T142 VanDerWaalsContact C-N 3.32Å; K140-G144 VanDerWaalsContact O-CA 3.27Å; K140-G144 WeakPolarHBondContact O-CA 3.13Å; K140-G144 PolarHBondContact O-N 3.31Å; K140-T145 WeakPolarHBondContact CE-OG1 3.48Å
141E87.9Confident87Confident124 Ų12454.5 Ų54.558%0.57929%0.294SS*.Hα-helixtrans-68.3-33.6178-72.5178.217100112.4V137 Y139 R317V137-E141 HydrophobicContact CG1-CG 4.34Å; V137-E141 WeakPolarHBondContact CG1-OE1 3.2Å; V137-E141 WeakPolarHBondContact O-CG 3.49Å; V137-E141 PolarHBondContact O-N 3.29Å; Y139-E141 VanDerWaalsContact C-N 3.33Å; Y139-E141 PolarHBondContact O-N 2.89Å; E141-R317 IonicContact OE1-CZ 2.73Å; E141-R317 IonicContact OE1-NH1 3.68Å; E141-R317 PolarHBondContact OE1-NH1 3.47Å
142T89.7Confident86.8Confident98 Ų9854.7 Ų54.760%0.60129%0.294SS*.Hα-helixtrans-87.5-40.3-176.8-530000112.6E138 Y139 K140E138-T142 PolarHBondContact O-N 3.33Å; E138-T142 PolarHBondContact O-OG1 3Å; Y139-T142 PolarHBondContact O-N 3.12Å; K140-T142 VanDerWaalsContact C-N 3.32Å
143Y87.4Confident86.7Confident114 Ų11454.9 Ų54.945%0.44730%0.296SS..Hα-helixtrans-116-3.6-168.9-57.4-77.6000114N76 Y139N76-Y143 HydrophobicContact CB-CD1 4.39Å; N76-Y143 HydrophobicContact CB-CD2 4.05Å; N76-Y143 HydrophobicContact CB-CE1 4.08Å; N76-Y143 HydrophobicContact CB-CE2 3.73Å; N76-Y143 HydrophobicContact CB-CG 4.38Å; N76-Y143 WeakPolarHBondContact ND2-CE1 3.4Å; Y139-Y143 AromaticContact CD2-CD2 3.5Å; Y139-Y143 HydrophobicContact CD2-CD2 3.5Å; Y139-Y143 HydrophobicContact CD2-CE2 4.18Å; Y139-Y143 HydrophobicContact CD2-CG 4.26Å; Y139-Y143 AromaticContact CE2-CD2 3.72Å; Y139-Y143 HydrophobicContact CE2-CD2 3.72Å; Y139-Y143 HydrophobicContact CE2-CG 4.04Å; Y139-Y143 HydrophobicContact CG-CD2 4.28Å; Y139-Y143 WeakPolarHBondContact O-CD2 3.42Å; Y139-Y143 PolarHBondContact O-N 3.24Å
144G84.6Confident86.8Confident33 Ų3356.2 Ų56.234%0.3430%0.301SS..  trans77.4-153.8-177.500000113.2K140K140-G144 VanDerWaalsContact O-CA 3.27Å; K140-G144 WeakPolarHBondContact O-CA 3.13Å; K140-G144 PolarHBondContact O-N 3.31Å
145T79.2Confident87.1Confident90 Ų9056 Ų5655%0.55230%0.299SS*.  trans-123.3118.2-178.2-53.50000109.9K140K140-T145 WeakPolarHBondContact CE-OG1 3.48Å
146D80.3Confident87.3Confident70 Ų7056.1 Ų56.137%0.37430%0.299SS..  trans-105.9125.7170.6174.1-3.2000108.9V148 V149 S150D146-V148 VanDerWaalsContact C-N 3.31Å; D146-V148 PolarHBondContact O-N 3.45Å; D146-V148 PolarHBondContact OD1-N 3.16Å; D146-V149 HydrophobicContact CB-CB 4.04Å; D146-V149 HydrophobicContact CB-CG2 4.03Å; D146-V149 PolarHBondContact O-N 3.49Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.38Å; D146-S150 WeakPolarHBondContact O-CB 3.46Å; D146-S150 PolarHBondContact O-N 3.28Å; D146-S150 PolarHBondContact O-OG 2.91Å
147P79.5Confident87.6Confident105 Ų10555.4 Ų55.468%0.68230%0.295SS*.Hα-helixtrans-53.7-41176.6-26.535.1000114.5S150 Q151P147-S150 WeakPolarHBondContact O-CB 3.27Å; P147-S150 PolarHBondContact O-N 2.93Å; P147-Q151 PolarHBondContact O-N 2.87Å
148V76.9Confident88.1Confident46 Ų4656 Ų5628%0.27930%0.297SS..Hα-helixtrans-69.1-47.4-177.5177.30000110.1D146 S150 Q151 N152 H391D146-V148 VanDerWaalsContact C-N 3.31Å; D146-V148 PolarHBondContact O-N 3.45Å; D146-V148 PolarHBondContact OD1-N 3.16Å; V148-S150 PolarHBondContact O-N 2.86Å; V148-Q151 PolarHBondContact O-N 3.38Å; V148-N152 PolarHBondContact O-N 2.79Å; V148-N152 VanDerWaalsContact O-N 3.08Å; V148-H391 HydrophobicContact CG2-CB 4.42Å
149V82.1Confident88.5Confident18 Ų1856.1 Ų56.111%0.10930%0.296CS..Hα-helixtrans-59.6-40.3174.2173.30000110.5P74 Y139 D146 Q151 N152 V153P74-V149 HydrophobicContact CG-CG1 3.88Å; P74-V149 HydrophobicContact CG-CG2 4.1Å; Y139-V149 HydrophobicContact CE1-CG1 3.93Å; D146-V149 HydrophobicContact CB-CB 4.04Å; D146-V149 HydrophobicContact CB-CG2 4.03Å; D146-V149 PolarHBondContact O-N 3.49Å; D146-V149 WeakPolarHBondContact OD2-CG2 3.38Å; V149-Q151 VanDerWaalsContact C-N 3.34Å; V149-Q151 PolarHBondContact O-N 3.47Å; V149-N152 PolarHBondContact O-N 3Å; V149-V153 HydrophobicContact CG1-CG2 3.9Å; V149-V153 VanDerWaalsContact O-CB 3.24Å; V149-V153 WeakPolarHBondContact O-CB 3.4Å; V149-V153 WeakPolarHBondContact O-CG2 3.33Å; V149-V153 PolarHBondContact O-N 3.5Å
150S85.6Confident88.9Confident29 Ų2954.8 Ų54.820%0.20329%0.291CS..Hα-helixtrans-62.1-40.7179.2-59.70000112.2D146 P147 V148 Q154D146-S150 WeakPolarHBondContact O-CB 3.46Å; D146-S150 PolarHBondContact O-N 3.28Å; D146-S150 PolarHBondContact O-OG 2.91Å; P147-S150 WeakPolarHBondContact O-CB 3.27Å; P147-S150 PolarHBondContact O-N 2.93Å; V148-S150 PolarHBondContact O-N 2.86Å; S150-Q154 WeakPolarHBondContact O-CB 3.28Å; S150-Q154 PolarHBondContact O-N 3.39Å
151Q86.4Confident89.4Confident141 Ų14151.1 Ų51.166%0.65927%0.274SS*.Hα-helixtrans-66.1-45.9176-173.4-179.58.800111.9P147 V148 V149 V153 Q154 Y155P147-Q151 PolarHBondContact O-N 2.87Å; V148-Q151 PolarHBondContact O-N 3.38Å; V149-Q151 VanDerWaalsContact C-N 3.34Å; V149-Q151 PolarHBondContact O-N 3.47Å; Q151-V153 VanDerWaalsContact C-N 3.33Å; Q151-V153 PolarHBondContact O-N 3.04Å; Q151-Q154 PolarHBondContact O-N 3.29Å; Q151-Y155 PolarHBondContact O-N 3.36Å
152N89.2Confident89.9Confident24 Ų2445.8 Ų45.813%0.12825%0.25CC..Hα-helixtrans-65.1-38.8178.8-72.2-7.1000112V148 V149 F156 H386V148-N152 PolarHBondContact O-N 2.79Å; V148-N152 VanDerWaalsContact O-N 3.08Å; V149-N152 PolarHBondContact O-N 3Å; N152-F156 WeakPolarHBondContact O-CB 3.39Å; N152-F156 PolarHBondContact O-N 3.1Å; N152-H386 PolarHBondContact OD1-O 2.91Å
153V91.9Very high90.3Very high6 Ų641.3 Ų41.34%0.03622%0.223CC..Hα-helixtrans-66.1-43174.3167.70000110.6L73 L77 L136 V149 Q151 F156 L157L73-V153 HydrophobicContact CD2-CG2 4.43Å; L77-V153 HydrophobicContact CD2-CG2 3.81Å; L136-V153 HydrophobicContact CD1-CG1 4.17Å; L136-V153 HydrophobicContact CD2-CG1 3.62Å; V149-V153 HydrophobicContact CG1-CG2 3.9Å; V149-V153 VanDerWaalsContact O-CB 3.24Å; V149-V153 WeakPolarHBondContact O-CB 3.4Å; V149-V153 WeakPolarHBondContact O-CG2 3.33Å; V149-V153 PolarHBondContact O-N 3.5Å; Q151-V153 VanDerWaalsContact C-N 3.33Å; Q151-V153 PolarHBondContact O-N 3.04Å; V153-F156 PolarHBondContact O-N 3.19Å; V153-L157 HydrophobicContact CG1-CD1 3.54Å; V153-L157 HydrophobicContact CG1-CG 4.08Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.35Å; V153-L157 PolarHBondContact O-N 2.84Å
154Q93.3Very high90.8Very high32 Ų3236.9 Ų36.915%0.1521%0.205CC..Hα-helixtrans-59-50.6175.5-178.562.740.700111.4S150 Q151 F156 L157 D158 F308 T309 Y310S150-Q154 WeakPolarHBondContact O-CB 3.28Å; S150-Q154 PolarHBondContact O-N 3.39Å; Q151-Q154 PolarHBondContact O-N 3.29Å; Q154-F156 VanDerWaalsContact C-N 3.3Å; Q154-F156 PolarHBondContact O-N 3.48Å; Q154-L157 PolarHBondContact O-N 3.01Å; Q154-D158 PolarHBondContact NE2-OD1 3.09Å; Q154-D158 PolarHBondContact NE2-OD2 2.88Å; Q154-D158 PolarHBondContact O-N 3.36Å; Q154-D158 VanDerWaalsContact O-N 3.07Å; Q154-F308 PolarHBondContact NE2-O 3.23Å; Q154-T309 VanDerWaalsContact OE1-CA 3.27Å; Q154-Y310 VanDerWaalsContact NE2-CD2 3.35Å; Q154-Y310 VanDerWaalsContact NE2-CE2 3.29Å; Q154-Y310 VanDerWaalsContact OE1-CD2 3.24Å
155Y95.4Very high91.5Very high48 Ų4835.7 Ų35.719%0.18819%0.191CC..Hα-helixtrans-56.6-44.2176.7173.8-95.6000111.8Q151 R159 H386 Y387Q151-Y155 PolarHBondContact O-N 3.36Å; Y155-R159 WeakPolarHBondContact O-CD 3.44Å; Y155-R159 VanDerWaalsContact O-CG 3.31Å; Y155-R159 WeakPolarHBondContact O-CG 3.47Å; Y155-R159 PolarHBondContact O-N 3.3Å; Y155-R159 WeakPolarHBondContact OH-CD 3.32Å; Y155-R159 PolarHBondContact OH-NE 3.41Å; Y155-R159 PolarHBondContact OH-NH1 3.21Å; Y155-H386 HydrophobicContact CD1-CB 3.92Å; Y155-H386 HydrophobicContact CD2-CB 4.47Å; Y155-H386 HydrophobicContact CE1-CB 3.65Å; Y155-H386 HydrophobicContact CE2-CB 4.22Å; Y155-H386 AromaticContact CE2-CD2 3.66Å; Y155-H386 AromaticContact CE2-CG 3.7Å; Y155-H386 AromaticContact CE2-ND1 3.93Å; Y155-H386 AromaticContact CE2-NE2 3.89Å; Y155-H386 HydrophobicContact CG-CB 4.34Å; Y155-H386 AromaticContact CZ-CD2 3.54Å; Y155-H386 AromaticContact CZ-CG 3.65Å; Y155-Y387 HydrophobicContact CD1-CE1 4.22Å; Y155-Y387 HydrophobicContact CD1-CE2 4.14Å; Y155-Y387 AromaticContact CD1-CZ 3.75Å; Y155-Y387 AromaticContact CE1-CE2 3.76Å; Y155-Y387 HydrophobicContact CE1-CE2 3.76Å; Y155-Y387 AromaticContact CE1-CZ 3.81Å
156F96.9Very high92.4Very high2 Ų231.4 Ų31.41%0.00917%0.165CC..Hα-helixtrans-62.6-49.6175.6166.2-102.4000112.6I66 E69 I70 L73 M132 N152 V153 Q154 D158 R159 F160 Y387I66-F156 HydrophobicContact CD1-CE2 4.41Å; E69-F156 HydrophobicContact CB-CD2 4.28Å; E69-F156 HydrophobicContact CB-CE2 4.5Å; I70-F156 HydrophobicContact CB-CE2 4.26Å; I70-F156 HydrophobicContact CB-CZ 4.45Å; I70-F156 HydrophobicContact CG1-CE2 3.59Å; I70-F156 HydrophobicContact CG1-CZ 3.65Å; L73-F156 HydrophobicContact CD1-CD1 3.91Å; L73-F156 HydrophobicContact CD1-CD2 4.49Å; L73-F156 HydrophobicContact CD1-CE1 3.71Å; L73-F156 HydrophobicContact CD1-CE2 4.31Å; L73-F156 HydrophobicContact CD1-CG 4.32Å; L73-F156 HydrophobicContact CD1-CZ 3.93Å; L73-F156 HydrophobicContact CD2-CB 3.88Å; L73-F156 HydrophobicContact CD2-CD1 3.76Å; L73-F156 HydrophobicContact CD2-CD2 4.23Å; L73-F156 HydrophobicContact CD2-CE1 4.42Å; L73-F156 HydrophobicContact CD2-CG 3.67Å; L73-F156 HydrophobicContact CG-CD1 4.29Å; L73-F156 HydrophobicContact CG-CD2 4.39Å; L73-F156 HydrophobicContact CG-CE1 4.49Å; L73-F156 HydrophobicContact CG-CG 4.25Å; M132-F156 HydrophobicContact CE-CE1 4.1Å; M132-F156 HydrophobicContact CE-CZ 4.16Å; M132-F156 HydrophobicContact SD-CE1 4.27Å; N152-F156 WeakPolarHBondContact O-CB 3.39Å; N152-F156 PolarHBondContact O-N 3.1Å; V153-F156 PolarHBondContact O-N 3.19Å; Q154-F156 VanDerWaalsContact C-N 3.3Å; Q154-F156 PolarHBondContact O-N 3.48Å; F156-D158 PolarHBondContact O-N 2.87Å; F156-R159 CarbonylContact O-C 3.55Å; F156-R159 PolarHBondContact O-N 3.36Å; F156-R159 VanDerWaalsContact O-N 3.15Å; F156-F160 HydrophobicContact CD1-CB 4.46Å; F156-F160 HydrophobicContact CD2-CB 4.41Å; F156-F160 HydrophobicContact CE1-CB 3.97Å; F156-F160 HydrophobicContact CE1-CG 4.09Å; F156-F160 HydrophobicContact CE2-CB 3.91Å; F156-F160 HydrophobicContact CE2-CD2 4.16Å; F156-F160 HydrophobicContact CE2-CG 4.27Å; F156-F160 HydrophobicContact CZ-CB 3.65Å; F156-F160 HydrophobicContact CZ-CD1 4.4Å; F156-F160 AromaticContact CZ-CD2 3.66Å; F156-F160 HydrophobicContact CZ-CD2 3.66Å; F156-F160 HydrophobicContact CZ-CE2 4.45Å; F156-F160 AromaticContact CZ-CG 3.65Å; F156-F160 HydrophobicContact CZ-CG 3.65Å; F156-F160 VanDerWaalsContact O-CB 3.25Å; F156-F160 WeakPolarHBondContact O-CB 3.05Å; F156-F160 PolarHBondContact O-N 3.37Å; F156-Y387 WeakPolarHBondContact CA-OH 3.41Å; F156-Y387 HydrophobicContact CB-CE1 3.96Å; F156-Y387 WeakPolarHBondContact CB-OH 3.38Å
157L97.3Very high93.3Very high1 Ų128.5 Ų28.51%0.00515%0.149CC..Hα-helixtrans-65.2-39.5-173.7-70.2167.9000111.9M132 L136 V153 Q154 R159 F160 Y161 Y310M132-L157 HydrophobicContact CG-CD2 3.82Å; L136-L157 HydrophobicContact CD1-CD1 3.46Å; L136-L157 VanDerWaalsContact CD1-CD1 3.46Å; L136-L157 HydrophobicContact CD1-CD2 4.3Å; L136-L157 HydrophobicContact CD1-CG 4.47Å; V153-L157 HydrophobicContact CG1-CD1 3.54Å; V153-L157 HydrophobicContact CG1-CG 4.08Å; V153-L157 WeakPolarHBondContact O-CB 3.36Å; V153-L157 WeakPolarHBondContact O-CG 3.35Å; V153-L157 PolarHBondContact O-N 2.84Å; Q154-L157 PolarHBondContact O-N 3.01Å; L157-R159 VanDerWaalsContact C-N 3.26Å; L157-R159 PolarHBondContact O-N 3.46Å; L157-F160 PolarHBondContact O-N 3.22Å; L157-Y161 HydrophobicContact CB-CD2 4.2Å; L157-Y161 HydrophobicContact CB-CE2 3.97Å; L157-Y161 HydrophobicContact CD2-CE2 3.73Å; L157-Y161 HydrophobicContact CG-CE2 4.36Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.37Å; L157-Y310 HydrophobicContact CB-CD2 3.44Å; L157-Y310 VanDerWaalsContact CB-CD2 3.44Å; L157-Y310 HydrophobicContact CB-CE2 3.4Å; L157-Y310 HydrophobicContact CB-CG 4.15Å; L157-Y310 HydrophobicContact CD1-CD1 4.44Å; L157-Y310 HydrophobicContact CD1-CD2 3.5Å; L157-Y310 HydrophobicContact CD1-CE2 4.33Å; L157-Y310 HydrophobicContact CD1-CG 3.59Å; L157-Y310 HydrophobicContact CG-CD2 4.14Å
158D97.9Very high94.2Very high47 Ų4727.7 Ų27.725%0.25113%0.132SC..Hα-helixtrans-55.4-46.5173.7-78.1-22.2000110.5Q154 F156 M162 Y310 L340Q154-D158 PolarHBondContact NE2-OD1 3.09Å; Q154-D158 PolarHBondContact NE2-OD2 2.88Å; Q154-D158 PolarHBondContact O-N 3.36Å; Q154-D158 VanDerWaalsContact O-N 3.07Å; F156-D158 PolarHBondContact O-N 2.87Å; D158-M162 WeakPolarHBondContact O-CB 3.35Å; D158-M162 PolarHBondContact O-N 3.32Å; D158-Y310 WeakPolarHBondContact OD1-CE2 3.41Å; D158-Y310 PolarHBondContact OD1-OH 2.94Å; D158-L340 HydrophobicContact CB-CD2 4.09Å; D158-L340 WeakPolarHBondContact O-CD1 3.36Å
159R98.5Very high95.2Very high43 Ų4325.6 Ų25.616%0.16212%0.119CC..Hα-helixtrans-73.4-40.2-179.3-65.9172.462.686.92.5112.4I66 E69 Y155 F156 L157 M162 S163 P377 V378I66-R159 HydrophobicContact CD1-CB 4.46Å; E69-R159 IonicContact OE1-CZ 3.73Å; E69-R159 IonicContact OE1-NE 3.5Å; E69-R159 PolarHBondContact OE1-NE 3.43Å; E69-R159 IonicContact OE1-NH2 3.3Å; E69-R159 PolarHBondContact OE1-NH2 3.48Å; E69-R159 WeakPolarHBondContact OE2-CD 3.31Å; E69-R159 IonicContact OE2-CZ 2.82Å; E69-R159 IonicContact OE2-NE 3.55Å; E69-R159 PolarHBondContact OE2-NE 3.02Å; E69-R159 IonicContact OE2-NH2 3.74Å; Y155-R159 WeakPolarHBondContact O-CD 3.44Å; Y155-R159 VanDerWaalsContact O-CG 3.31Å; Y155-R159 WeakPolarHBondContact O-CG 3.47Å; Y155-R159 PolarHBondContact O-N 3.3Å; Y155-R159 WeakPolarHBondContact OH-CD 3.32Å; Y155-R159 PolarHBondContact OH-NE 3.41Å; Y155-R159 PolarHBondContact OH-NH1 3.21Å; F156-R159 CarbonylContact O-C 3.55Å; F156-R159 PolarHBondContact O-N 3.36Å; F156-R159 VanDerWaalsContact O-N 3.15Å; L157-R159 VanDerWaalsContact C-N 3.26Å; L157-R159 PolarHBondContact O-N 3.46Å; R159-M162 PolarHBondContact O-N 3.22Å; R159-S163 WeakPolarHBondContact O-CB 3.49Å; R159-S163 PolarHBondContact O-N 3.02Å; R159-P377 HydrophobicContact CB-CB 3.85Å; R159-P377 HydrophobicContact CB-CG 4.5Å; R159-P377 HydrophobicContact CG-CB 4.14Å; R159-P377 WeakPolarHBondContact O-CG 3.35Å; R159-V378 VanDerWaalsContact NH2-C 3.26Å; R159-V378 PolarHBondContact NH2-O 3.47Å
160F98.6Very high95.9Very high0 Ų024.9 Ų24.90%012%0.115CC..Hα-helixtrans-62-48.7178.4176.9-106.1000111.6I66 I70 V86 Y90 V128 M132 F156 L157 S163 R164I66-F160 VanDerWaalsContact CD1-CA 3.48Å; I66-F160 HydrophobicContact CD1-CB 4.04Å; I66-F160 HydrophobicContact CD1-CD2 4.31Å; I66-F160 HydrophobicContact CG1-CB 4.28Å; I66-F160 HydrophobicContact CG1-CD2 3.63Å; I66-F160 HydrophobicContact CG1-CE2 4.5Å; I66-F160 HydrophobicContact CG1-CG 4.43Å; I70-F160 HydrophobicContact CD1-CD2 4.27Å; I70-F160 HydrophobicContact CD1-CE2 3.91Å; I70-F160 HydrophobicContact CG1-CD2 4.34Å; I70-F160 HydrophobicContact CG1-CE2 4.42Å; V86-F160 HydrophobicContact CG1-CE2 4.27Å; V86-F160 HydrophobicContact CG1-CZ 3.75Å; Y90-F160 HydrophobicContact CE1-CE2 4.34Å; Y90-F160 AromaticContact CE2-CE2 3.65Å; Y90-F160 HydrophobicContact CE2-CE2 3.65Å; Y90-F160 AromaticContact CE2-CZ 3.74Å; Y90-F160 HydrophobicContact CE2-CZ 3.74Å; Y90-F160 AromaticContact CZ-CE2 3.52Å; Y90-F160 AromaticContact CZ-CZ 3.9Å; Y90-F160 VanDerWaalsContact OH-CE2 3.29Å; Y90-F160 WeakPolarHBondContact OH-CE2 3.47Å; Y90-F160 WeakPolarHBondContact OH-CZ 3.41Å; V128-F160 HydrophobicContact CG1-CE1 3.62Å; V128-F160 HydrophobicContact CG1-CZ 3.42Å; V128-F160 VanDerWaalsContact CG1-CZ 3.42Å; M132-F160 HydrophobicContact CB-CE1 4.2Å; M132-F160 HydrophobicContact CE-CD1 4.37Å; M132-F160 HydrophobicContact CE-CE1 3.86Å; M132-F160 HydrophobicContact CE-CE2 4.26Å; M132-F160 HydrophobicContact CE-CZ 3.81Å; M132-F160 HydrophobicContact CG-CD1 4.39Å; M132-F160 HydrophobicContact CG-CE1 4.07Å; F156-F160 HydrophobicContact CD1-CB 4.46Å; F156-F160 HydrophobicContact CD2-CB 4.41Å; F156-F160 HydrophobicContact CE1-CB 3.97Å; F156-F160 HydrophobicContact CE1-CG 4.09Å; F156-F160 HydrophobicContact CE2-CB 3.91Å; F156-F160 HydrophobicContact CE2-CD2 4.16Å; F156-F160 HydrophobicContact CE2-CG 4.27Å; F156-F160 HydrophobicContact CZ-CB 3.65Å; F156-F160 HydrophobicContact CZ-CD1 4.4Å; F156-F160 AromaticContact CZ-CD2 3.66Å; F156-F160 HydrophobicContact CZ-CD2 3.66Å; F156-F160 HydrophobicContact CZ-CE2 4.45Å; F156-F160 AromaticContact CZ-CG 3.65Å; F156-F160 HydrophobicContact CZ-CG 3.65Å; F156-F160 VanDerWaalsContact O-CB 3.25Å; F156-F160 WeakPolarHBondContact O-CB 3.05Å; F156-F160 PolarHBondContact O-N 3.37Å; L157-F160 PolarHBondContact O-N 3.22Å; F160-S163 PolarHBondContact O-N 3.46Å; F160-R164 WeakPolarHBondContact O-CB 3.33Å; F160-R164 PolarHBondContact O-N 3.4Å
161Y98.4Very high96.5Very high2 Ų223.7 Ų23.71%0.00811%0.106CC..Hα-helixtrans-72.6-33.1178-64.5-46.5000112.5I129 M132 L157 R164 I165 Y310 Y333 L340I129-Y161 HydrophobicContact CB-CE1 4.21Å; I129-Y161 HydrophobicContact CG1-CD1 3.87Å; I129-Y161 HydrophobicContact CG1-CE1 3.73Å; I129-Y161 HydrophobicContact CG2-CE1 4.26Å; M132-Y161 VanDerWaalsContact CB-OH 3.3Å; M132-Y161 WeakPolarHBondContact CB-OH 3.47Å; M132-Y161 WeakPolarHBondContact CG-OH 3.24Å; L157-Y161 HydrophobicContact CB-CD2 4.2Å; L157-Y161 HydrophobicContact CB-CE2 3.97Å; L157-Y161 HydrophobicContact CD2-CE2 3.73Å; L157-Y161 HydrophobicContact CG-CE2 4.36Å; L157-Y161 WeakPolarHBondContact O-CB 3.31Å; L157-Y161 WeakPolarHBondContact O-CD2 3.38Å; L157-Y161 PolarHBondContact O-N 3.37Å; Y161-R164 PolarHBondContact O-N 3.02Å; Y161-I165 VanDerWaalsContact O-CG1 3.28Å; Y161-I165 WeakPolarHBondContact O-CG1 3.44Å; Y161-I165 PolarHBondContact O-N 3.38Å; Y161-Y310 AromaticContact CD2-CE1 3.74Å; Y161-Y310 HydrophobicContact CD2-CE1 3.74Å; Y161-Y310 AromaticContact CD2-CZ 3.72Å; Y161-Y310 HydrophobicContact CE2-CD1 4.21Å; Y161-Y310 AromaticContact CE2-CE1 3.73Å; Y161-Y310 HydrophobicContact CE2-CE1 3.73Å; Y161-Y333 HydrophobicContact CE2-CD1 4.18Å; Y161-Y333 AromaticContact CE2-CE1 3.64Å; Y161-Y333 HydrophobicContact CE2-CE1 3.64Å; Y161-Y333 AromaticContact CZ-CE1 3.67Å; Y161-Y333 VanDerWaalsContact OH-CE1 3.29Å; Y161-Y333 WeakPolarHBondContact OH-CE1 3.32Å; Y161-L340 VanDerWaalsContact CB-CD1 3.46Å
162M98.7Very high96.8Very high13 Ų1318.2 Ų18.26%0.0648%0.082CC..Hα-helixtrans-60.4-47.1170.1-169.370.176.800111.6D158 R159 R164 I165 S166 L340 R343 Y344 R375D158-M162 WeakPolarHBondContact O-CB 3.35Å; D158-M162 PolarHBondContact O-N 3.32Å; R159-M162 PolarHBondContact O-N 3.22Å; M162-R164 VanDerWaalsContact C-N 3.32Å; M162-R164 PolarHBondContact O-N 3.36Å; M162-I165 PolarHBondContact O-N 3.47Å; M162-S166 PolarHBondContact O-N 2.93Å; M162-L340 HydrophobicContact CE-CB 4.18Å; M162-L340 HydrophobicContact CE-CD2 3.77Å; M162-R343 HydrophobicContact CE-CB 3.93Å; M162-Y344 HydrophobicContact SD-CD2 3.86Å; M162-Y344 HydrophobicContact SD-CG 4.32Å; M162-R375 WeakPolarHBondContact CG-O 3.23Å
163S98.6Very high97Very high4 Ų417.6 Ų17.63%0.0288%0.078CC..Hα-helixtrans-58.1-45.4174.6-175.30000111R159 F160 I165 S166 I167R159-S163 WeakPolarHBondContact O-CB 3.49Å; R159-S163 PolarHBondContact O-N 3.02Å; F160-S163 PolarHBondContact O-N 3.46Å; S163-I165 PolarHBondContact O-N 2.95Å; S163-S166 WeakPolarHBondContact O-CB 3.39Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 VanDerWaalsContact O-N 3.16Å; S163-S166 PolarHBondContact O-OG 3.44Å; S163-I167 WeakPolarHBondContact O-CG1 3.34Å; S163-I167 PolarHBondContact O-N 3.29Å
164R98.3Very high97.1Very high20 Ų2017.4 Ų17.48%0.0758%0.077CC..Hα-helixtrans-61.8-43.8177.9-172.5-174.8178.8-91.49.2113H125 N126 I129 F160 Y161 M162 S166 I167 R168H125-R164 PolarHBondContact O-NE 2.69Å; H125-R164 PolarHBondContact O-NH2 2.76Å; N126-R164 PolarHBondContact O-NH2 2.93Å; I129-R164 VanDerWaalsContact CD1-NH1 3.34Å; F160-R164 WeakPolarHBondContact O-CB 3.33Å; F160-R164 PolarHBondContact O-N 3.4Å; Y161-R164 PolarHBondContact O-N 3.02Å; M162-R164 VanDerWaalsContact C-N 3.32Å; M162-R164 PolarHBondContact O-N 3.36Å; R164-S166 VanDerWaalsContact C-N 3.26Å; R164-S166 PolarHBondContact O-N 3.39Å; R164-I167 PolarHBondContact O-N 3.02Å; R164-R168 VanDerWaalsContact O-CB 3.32Å; R164-R168 WeakPolarHBondContact O-CB 3.4Å; R164-R168 PolarHBondContact O-N 3.5Å
165I98.6Very high97Very high8 Ų816.3 Ų16.34%0.0417%0.072CC..Hα-helixtrans-57.5-45.7174.9-70.7164.3000109.1Y161 M162 S163 R168 M169 L340 Y341 Y344Y161-I165 VanDerWaalsContact O-CG1 3.28Å; Y161-I165 WeakPolarHBondContact O-CG1 3.44Å; Y161-I165 PolarHBondContact O-N 3.38Å; M162-I165 PolarHBondContact O-N 3.47Å; S163-I165 PolarHBondContact O-N 2.95Å; I165-R168 PolarHBondContact O-N 2.8Å; I165-M169 WeakPolarHBondContact O-CB 3.34Å; I165-M169 PolarHBondContact O-N 3.21Å; I165-L340 HydrophobicContact CD1-CB 3.92Å; I165-Y341 HydrophobicContact CD1-CD1 4.05Å; I165-Y341 HydrophobicContact CD1-CD2 4.23Å; I165-Y341 HydrophobicContact CD1-CE1 4.07Å; I165-Y341 HydrophobicContact CD1-CE2 4.26Å; I165-Y341 HydrophobicContact CD1-CG 4.14Å; I165-Y341 HydrophobicContact CG1-CD1 4.35Å; I165-Y341 HydrophobicContact CG1-CE1 3.92Å; I165-Y341 HydrophobicContact CG2-CD1 4.15Å; I165-Y341 HydrophobicContact CG2-CE1 3.97Å; I165-Y344 HydrophobicContact CG2-CD1 3.73Å; I165-Y344 HydrophobicContact CG2-CD2 4.06Å; I165-Y344 HydrophobicContact CG2-CE1 3.93Å; I165-Y344 HydrophobicContact CG2-CE2 4.27Å; I165-Y344 HydrophobicContact CG2-CG 3.78Å
166S98.6Very high96.7Very high1 Ų118.3 Ų18.31%0.0079%0.086CC..Hα-helixtrans-65.2-43.6-179.289.40000113.7R62 M162 S163 R164 M169 L170 Y344R62-S166 PolarHBondContact NH1-O 3.35Å; R62-S166 PolarHBondContact NH1-OG 3.23Å; R62-S166 VanDerWaalsContact NH1-OG 3.16Å; M162-S166 PolarHBondContact O-N 2.93Å; S163-S166 WeakPolarHBondContact O-CB 3.39Å; S163-S166 PolarHBondContact O-N 3.05Å; S163-S166 VanDerWaalsContact O-N 3.16Å; S163-S166 PolarHBondContact O-OG 3.44Å; R164-S166 VanDerWaalsContact C-N 3.26Å; R164-S166 PolarHBondContact O-N 3.39Å; S166-M169 WeakPolarHBondContact O-CB 3.47Å; S166-M169 PolarHBondContact O-N 3.26Å; S166-L170 PolarHBondContact O-N 3.39Å; S166-L170 VanDerWaalsContact O-N 3.12Å; S166-Y344 WeakPolarHBondContact CA-OH 3.44Å
167I98.5Very high96.2Very high9 Ų920.6 Ų20.65%0.04610%0.098CC..Hα-helixtrans-64.2-46.1176.5-69.6164.3000109L59 R62 L63 S163 R164 M169 L170 L171L59-I167 HydrophobicContact CD2-CG2 4.19Å; R62-I167 HydrophobicContact CB-CD1 4.18Å; R62-I167 HydrophobicContact CB-CG1 3.97Å; L63-I167 HydrophobicContact CD2-CD1 3.81Å; L63-I167 HydrophobicContact CG-CD1 4.25Å; S163-I167 WeakPolarHBondContact O-CG1 3.34Å; S163-I167 PolarHBondContact O-N 3.29Å; R164-I167 PolarHBondContact O-N 3.02Å; I167-M169 VanDerWaalsContact C-N 3.28Å; I167-M169 PolarHBondContact O-N 2.92Å; I167-L170 PolarHBondContact O-N 3.43Å; I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.11Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.42Å; I167-L171 PolarHBondContact O-N 3.36Å
168R97.6Very high95.8Very high88 Ų8822.3 Ų22.333%0.33211%0.105SC..Hα-helixtrans-61.5-36.5177.3-174.9168.8175.3105.7-5112N126 R164 I165 N172N126-R168 PolarHBondContact OD1-NH1 3.41Å; R164-R168 VanDerWaalsContact O-CB 3.32Å; R164-R168 WeakPolarHBondContact O-CB 3.4Å; R164-R168 PolarHBondContact O-N 3.5Å; I165-R168 PolarHBondContact O-N 2.8Å; R168-N172 WeakPolarHBondContact O-CB 3.2Å; R168-N172 PolarHBondContact O-N 3.02Å; R168-N172 PolarHBondContact O-ND2 3.5Å
169M98Very high94.8Very high1 Ų121.6 Ų21.61%0.00511%0.109CC..Hα-helixtrans-58.7-51.9174-177.264.8-177.700111F33 I165 S166 I167 N172 Q173 I195 V245 Y344 F345F33-M169 HydrophobicContact CD2-CE 4.11Å; F33-M169 HydrophobicContact CE2-CE 4.16Å; F33-M169 HydrophobicContact CE2-CG 4.32Å; F33-M169 HydrophobicContact CG-CE 4.32Å; F33-M169 HydrophobicContact CZ-CE 4.41Å; F33-M169 HydrophobicContact CZ-CG 4.03Å; I165-M169 WeakPolarHBondContact O-CB 3.34Å; I165-M169 PolarHBondContact O-N 3.21Å; S166-M169 WeakPolarHBondContact O-CB 3.47Å; S166-M169 PolarHBondContact O-N 3.26Å; I167-M169 VanDerWaalsContact C-N 3.28Å; I167-M169 PolarHBondContact O-N 2.92Å; M169-N172 PolarHBondContact O-N 3.14Å; M169-Q173 HydrophobicContact CE-CG 3.95Å; M169-Q173 WeakPolarHBondContact O-CB 3.31Å; M169-Q173 VanDerWaalsContact O-CG 3.27Å; M169-Q173 WeakPolarHBondContact O-CG 3.5Å; M169-Q173 PolarHBondContact O-N 3.07Å; M169-Q173 HydrophobicContact SD-CG 4.41Å; M169-I195 HydrophobicContact CE-CD1 3.69Å; M169-I195 HydrophobicContact CE-CG1 3.8Å; M169-V245 HydrophobicContact CE-CG2 3.84Å; M169-V245 HydrophobicContact SD-CG2 4.06Å; M169-Y344 HydrophobicContact CB-CE1 4.32Å; M169-Y344 WeakPolarHBondContact CB-OH 3.46Å; M169-Y344 HydrophobicContact CG-CE1 4.33Å; M169-Y344 WeakPolarHBondContact CG-OH 3.14Å; M169-F345 HydrophobicContact CE-CZ 4.2Å
170L98.3Very high93.4Very high4 Ų421.9 Ų21.92%0.02113%0.125CC..Hα-helixtrans-61-48.1178.5-69.3-175.5000112.8L28 F33 F54 L55 E58 L59 R62 S166 I167 N172 Q173 H174L28-L170 HydrophobicContact CD1-CD2 4.06Å; F33-L170 HydrophobicContact CE1-CD2 3.79Å; F33-L170 HydrophobicContact CZ-CD2 3.79Å; F54-L170 HydrophobicContact CE1-CD1 4.43Å; F54-L170 HydrophobicContact CE1-CD2 4.09Å; L55-L170 HydrophobicContact CD2-CB 3.74Å; L55-L170 HydrophobicContact CD2-CD1 3.82Å; L55-L170 HydrophobicContact CD2-CD2 4.1Å; L55-L170 HydrophobicContact CD2-CG 4.1Å; E58-L170 HydrophobicContact CG-CD1 3.97Å; L59-L170 HydrophobicContact CD2-CB 4.4Å; L59-L170 HydrophobicContact CD2-CD1 4.19Å; R62-L170 VanDerWaalsContact CZ-CD1 3.46Å; S166-L170 PolarHBondContact O-N 3.39Å; S166-L170 VanDerWaalsContact O-N 3.12Å; I167-L170 PolarHBondContact O-N 3.43Å; L170-N172 VanDerWaalsContact C-N 3.33Å; L170-N172 PolarHBondContact O-N 2.67Å; L170-Q173 PolarHBondContact O-N 3.44Å; L170-H174 PolarHBondContact O-N 2.71Å; L170-H174 VanDerWaalsContact O-N 3.09Å
171L96.6Very high91.3Very high3 Ų332 Ų322%0.01617%0.169CC..Hα-helixtrans-62.5-41.2179.2-60.7174.4000111L59 V118 I121 R122 I167 T175L59-L171 HydrophobicContact CD1-CD2 3.8Å; L59-L171 HydrophobicContact CD2-CD2 4.08Å; V118-L171 HydrophobicContact CB-CD2 4.29Å; V118-L171 HydrophobicContact CG1-CB 4.05Å; V118-L171 HydrophobicContact CG1-CD2 3.59Å; V118-L171 HydrophobicContact CG1-CG 4.4Å; V118-L171 HydrophobicContact CG2-CD2 4.35Å; I121-L171 HydrophobicContact CG2-CD1 3.86Å; I121-L171 HydrophobicContact CG2-CD2 4.41Å; R122-L171 HydrophobicContact CB-CB 4.4Å; R122-L171 HydrophobicContact CB-CD1 4.13Å; I167-L171 HydrophobicContact CG2-CD1 3.74Å; I167-L171 HydrophobicContact CG2-CG 4.11Å; I167-L171 VanDerWaalsContact O-CG 3.24Å; I167-L171 WeakPolarHBondContact O-CG 3.42Å; I167-L171 PolarHBondContact O-N 3.36Å; L171-T175 WeakPolarHBondContact O-CB 3.44Å; L171-T175 VanDerWaalsContact O-CG2 3.25Å; L171-T175 WeakPolarHBondContact O-CG2 3.47Å; L171-T175 PolarHBondContact O-N 3.01Å; L171-T175 PolarHBondContact O-OG1 3.34Å
172N93.9Very high89.1Confident27 Ų2736.8 Ų36.814%0.14420%0.198CC..Hα-helixtrans-66.4-43.9178-76.6-8.6000111.8R122 R168 M169 L170 H174 T175 L176R122-N172 VanDerWaalsContact CD-OD1 3.24Å; R122-N172 WeakPolarHBondContact CD-OD1 3.44Å; R168-N172 WeakPolarHBondContact O-CB 3.2Å; R168-N172 PolarHBondContact O-N 3.02Å; R168-N172 PolarHBondContact O-ND2 3.5Å; M169-N172 PolarHBondContact O-N 3.14Å; L170-N172 VanDerWaalsContact C-N 3.33Å; L170-N172 PolarHBondContact O-N 2.67Å; N172-H174 PolarHBondContact O-N 3.01Å; N172-T175 WeakPolarHBondContact CA-OG1 3.02Å; N172-T175 PolarHBondContact O-N 3.43Å; N172-T175 PolarHBondContact O-OG1 3.46Å; N172-L176 HydrophobicContact CB-CD1 4.41Å; N172-L176 VanDerWaalsContact O-CB 3.26Å; N172-L176 WeakPolarHBondContact O-CB 3.47Å; N172-L176 WeakPolarHBondContact O-CD1 3.24Å; N172-L176 VanDerWaalsContact O-CG 3.22Å; N172-L176 WeakPolarHBondContact O-CG 3.41Å; N172-L176 PolarHBondContact O-N 2.77Å
173Q93.3Very high87Confident10 Ų1043.8 Ų43.85%0.04723%0.229CC..Hα-helixtrans-58-50.2177.5-75.7-67.6-2200111.3F33 M169 L170 T175 L177 S194F33-Q173 HydrophobicContact CD1-CG 3.91Å; F33-Q173 HydrophobicContact CE1-CG 4.03Å; M169-Q173 HydrophobicContact CE-CG 3.95Å; M169-Q173 WeakPolarHBondContact O-CB 3.31Å; M169-Q173 VanDerWaalsContact O-CG 3.27Å; M169-Q173 WeakPolarHBondContact O-CG 3.5Å; M169-Q173 PolarHBondContact O-N 3.07Å; M169-Q173 HydrophobicContact SD-CG 4.41Å; L170-Q173 PolarHBondContact O-N 3.44Å; Q173-T175 PolarHBondContact O-N 3.45Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 VanDerWaalsContact O-CG 3.26Å; Q173-L177 WeakPolarHBondContact O-CG 3.46Å; Q173-L177 PolarHBondContact O-N 2.83Å; Q173-L177 VanDerWaalsContact O-N 3.09Å; Q173-S194 VanDerWaalsContact NE2-N 3.13Å; Q173-S194 PolarHBondContact NE2-OG 3.41Å; Q173-S194 VanDerWaalsContact NE2-OG 3.08Å
174H93.9Very high85.1Confident2 Ų247.2 Ų47.21%0.00925%0.249CC..Hα-helixtrans-61.6-46.7177.6-171.885.3000112.5S51 L55 F114 T115 V118 L170 N172 L176 L177 F178S51-H174 PolarHBondContact OG-ND1 2.91Å; L55-H174 HydrophobicContact CD1-CB 3.59Å; F114-H174 AromaticContact CD1-CE1 3.94Å; F114-H174 AromaticContact CD1-NE2 3.66Å; F114-H174 AromaticContact CE1-CE1 3.92Å; F114-H174 AromaticContact CE1-NE2 3.87Å; T115-H174 PolarHBondContact OG1-NE2 2.54Å; T115-H174 VanDerWaalsContact OG1-NE2 3.07Å; V118-H174 HydrophobicContact CG1-CB 4.43Å; L170-H174 PolarHBondContact O-N 2.71Å; L170-H174 VanDerWaalsContact O-N 3.09Å; N172-H174 PolarHBondContact O-N 3.01Å; H174-L176 PolarHBondContact O-N 2.79Å; H174-L177 PolarHBondContact O-N 3.03Å; H174-F178 AromaticContact CE1-CD2 3.8Å; H174-F178 AromaticContact CG-CD2 3.97Å; H174-F178 AromaticContact ND1-CD2 3.54Å; H174-F178 AromaticContact ND1-CE2 3.97Å; H174-F178 WeakPolarHBondContact O-CB 3.44Å; H174-F178 VanDerWaalsContact O-CD2 3.28Å; H174-F178 WeakPolarHBondContact O-CD2 3.28Å; H174-F178 PolarHBondContact O-N 3.32Å
175T91.4Very high83.3Confident9 Ų950.1 Ų50.16%0.05527%0.266CS..Hα-helixtrans-70.4-32.2-177.152.10000113.9V118 I119 R122 L171 N172 Q173 G179V118-T175 HydrophobicContact CB-CG2 4.41Å; V118-T175 HydrophobicContact CG1-CG2 3.53Å; I119-T175 HydrophobicContact CD1-CG2 4.48Å; I119-T175 HydrophobicContact CG1-CG2 3.5Å; R122-T175 PolarHBondContact NH1-OG1 3.44Å; L171-T175 WeakPolarHBondContact O-CB 3.44Å; L171-T175 VanDerWaalsContact O-CG2 3.25Å; L171-T175 WeakPolarHBondContact O-CG2 3.47Å; L171-T175 PolarHBondContact O-N 3.01Å; L171-T175 PolarHBondContact O-OG1 3.34Å; N172-T175 WeakPolarHBondContact CA-OG1 3.02Å; N172-T175 PolarHBondContact O-N 3.43Å; N172-T175 PolarHBondContact O-OG1 3.46Å; Q173-T175 PolarHBondContact O-N 3.45Å; T175-G179 WeakPolarHBondContact O-CA 3.48Å; T175-G179 PolarHBondContact O-N 3.04Å
176L88.8Confident81.3Confident91 Ų9154.9 Ų54.948%0.47630%0.298SS..Hα-helixtrans-76.4-30.9177-70.4167.8000112N172 H174 G193N172-L176 HydrophobicContact CB-CD1 4.41Å; N172-L176 VanDerWaalsContact O-CB 3.26Å; N172-L176 WeakPolarHBondContact O-CB 3.47Å; N172-L176 WeakPolarHBondContact O-CD1 3.24Å; N172-L176 VanDerWaalsContact O-CG 3.22Å; N172-L176 WeakPolarHBondContact O-CG 3.41Å; N172-L176 PolarHBondContact O-N 2.77Å; H174-L176 PolarHBondContact O-N 2.79Å; L176-G193 VanDerWaalsContact CD1-C 3.46Å
177L87.6Confident79.3Confident50 Ų5058.1 Ų58.126%0.26233%0.325SS..Hα-helixtrans-82.2-36.1177.1-67.7172.1000112.9F36 Q173 H174F36-L177 HydrophobicContact CD1-CD1 4.37Å; F36-L177 HydrophobicContact CE1-CD1 4.15Å; Q173-L177 WeakPolarHBondContact O-CB 3.48Å; Q173-L177 VanDerWaalsContact O-CG 3.26Å; Q173-L177 WeakPolarHBondContact O-CG 3.46Å; Q173-L177 PolarHBondContact O-N 2.83Å; Q173-L177 VanDerWaalsContact O-N 3.09Å; H174-L177 PolarHBondContact O-N 3.03Å
178F87.9Confident77.9Confident36 Ų3662.2 Ų62.216%0.15834%0.344CS..Hα-helixtrans-127.7-12.8-168.6-46.1-63.8000114.7F36 C47 E48 H174F36-F178 HydrophobicContact CE1-CE2 4.31Å; F36-F178 HydrophobicContact CE1-CZ 4.1Å; F36-F178 HydrophobicContact CZ-CE2 4.5Å; F36-F178 HydrophobicContact CZ-CZ 4.14Å; C47-F178 HydrophobicContact CB-CE1 4Å; C47-F178 HydrophobicContact CB-CZ 3.99Å; E48-F178 HydrophobicContact CB-CD1 3.87Å; E48-F178 HydrophobicContact CB-CE1 4.03Å; E48-F178 HydrophobicContact CB-CG 4.21Å; E48-F178 HydrophobicContact CG-CB 4.25Å; E48-F178 HydrophobicContact CG-CD1 4.16Å; E48-F178 HydrophobicContact CG-CD2 4.42Å; E48-F178 HydrophobicContact CG-CG 4.01Å; H174-F178 AromaticContact CE1-CD2 3.8Å; H174-F178 AromaticContact CG-CD2 3.97Å; H174-F178 AromaticContact ND1-CD2 3.54Å; H174-F178 AromaticContact ND1-CE2 3.97Å; H174-F178 WeakPolarHBondContact O-CB 3.44Å; H174-F178 VanDerWaalsContact O-CD2 3.28Å; H174-F178 WeakPolarHBondContact O-CD2 3.28Å; H174-F178 PolarHBondContact O-N 3.32Å
179G77.8Confident76.5Confident32 Ų3261.8 Ų61.833%0.3335%0.352SS..SBendtrans-90.80.6-169.700000117T175T175-G179 WeakPolarHBondContact O-CA 3.48Å; T175-G179 PolarHBondContact O-N 3.04Å
180G68.8Low75.6Confident49 Ų4967.7 Ų67.751%0.50538%0.384SS..  trans-122.3146.7-174.200000114.1
181K53.3Low75Confident212 Ų21269.8 Ų69.892%0.92239%0.393SS*.SBendtrans-70.5-22.3162-66.3-175179.6-178.20112.2
182V52.3Low74.6Confident103 Ų10370.8 Ų70.862%0.62440%0.399SS*.SBendtrans-92.9101.4177.5-178.80000107.6V184 P186V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 VanDerWaalsContact CG1-O 3.31Å; V182-V184 WeakPolarHBondContact CG1-O 3.48Å; V182-V184 PolarHBondContact O-N 3.32Å; V182-P186 HydrophobicContact CG1-CG 4.43Å
183K54.9Low74.4Confident160 Ų16070 Ų7070%0.69640%0.397SS*.SBendtrans-70.7-19.3-169-61-169.2170.9-1490114.7E44E44-K183 IonicContact OE1-NZ 3.27Å; E44-K183 IonicContact OE2-NZ 2.77Å
184V59.4Low74.4Confident77 Ų7770.1 Ų70.147%0.46740%0.398SS..SBendtrans-138.3123.6-178.61790000106.5V182 P186 P189V182-V184 VanDerWaalsContact C-N 3.27Å; V182-V184 VanDerWaalsContact CG1-O 3.31Å; V182-V184 WeakPolarHBondContact CG1-O 3.48Å; V182-V184 PolarHBondContact O-N 3.32Å; V184-P186 WeakPolarHBondContact O-CD 3.46Å; V184-P186 VanDerWaalsContact O-N 3.08Å; V184-P189 VanDerWaalsContact CG1-CA 3.4Å; V184-P189 HydrophobicContact CG1-CB 3.56Å
185N59.3Low74.4Confident80 Ų8070 Ų7043%0.42840%0.398SS..  trans-60.8113.8171.2-177.9-6.4000107.8A187 H188N185-A187 PolarHBondContact O-N 3.26Å; N185-A187 VanDerWaalsContact O-N 3.1Å; N185-A187 WeakPolarHBondContact OD1-CB 3.43Å; N185-A187 PolarHBondContact OD1-N 3.02Å; N185-A187 VanDerWaalsContact OD1-N 3.07Å; N185-H188 CarbonylContact O-C 3.51Å; N185-H188 PolarHBondContact O-N 3.07Å
186P57.2Low74.6Confident109 Ų10971 Ų7171%0.70840%0.403SS*.THydrogen-bonded Turntrans-60-27.1-177.1-2132.7000112.3V182 V184V182-P186 HydrophobicContact CG1-CG 4.43Å; V184-P186 WeakPolarHBondContact O-CD 3.46Å; V184-P186 VanDerWaalsContact O-N 3.08Å
187A57Low74.9Confident69 Ų6967.5 Ų67.557%0.5739%0.386SS*.THydrogen-bonded Turntrans-74.1-27.9177.400000112.9N185N185-A187 PolarHBondContact O-N 3.26Å; N185-A187 VanDerWaalsContact O-N 3.1Å; N185-A187 WeakPolarHBondContact OD1-CB 3.43Å; N185-A187 PolarHBondContact OD1-N 3.02Å; N185-A187 VanDerWaalsContact OD1-N 3.07Å
188H69.1Low75.2Confident95 Ų9571.6 Ų71.644%0.4440%0.403SS..  trans-142.971.5-177.1-56.8-60.5000111.3N185 N190 Q191N185-H188 CarbonylContact O-C 3.51Å; N185-H188 PolarHBondContact O-N 3.07Å; H188-N190 PolarHBondContact O-N 3.49Å; H188-Q191 HydrophobicContact CB-CB 4.26Å; H188-Q191 HydrophobicContact CB-CG 3.82Å; H188-Q191 PolarHBondContact O-N 3.36Å
189P69Low75.6Confident78 Ų7870 Ų7051%0.50640%0.396SS..THydrogen-bonded Turntrans-68.1-19.1-170.625.8-34.7000114.5V184V184-P189 VanDerWaalsContact CG1-CA 3.4Å; V184-P189 HydrophobicContact CG1-CB 3.56Å
190N78.1Confident76.4Confident126 Ų12669.1 Ų69.167%0.67439%0.388SS*.THydrogen-bonded Turntrans-96.20.2-177.3-62.6-28.8000113.7H188 P197H188-N190 PolarHBondContact O-N 3.49Å; N190-P197 VanDerWaalsContact O-CD 3.31Å; N190-P197 WeakPolarHBondContact O-CD 3.14Å
191Q85.9Confident77.8Confident47 Ų4766.8 Ų66.822%0.2236%0.364CS..  trans-77.9141.6177.6-77.5178.61.400111.4H188 I195 D196H188-Q191 HydrophobicContact CB-CB 4.26Å; H188-Q191 HydrophobicContact CB-CG 3.82Å; H188-Q191 PolarHBondContact O-N 3.36Å; Q191-I195 WeakPolarHBondContact CA-O 3.34Å; Q191-D196 HydrophobicContact CG-CB 4.03Å
192I88.8Confident79.9Confident25 Ų2557 Ų5713%0.12832%0.322CS..BIsolated β-bridgetrans-107.5102.2175.6-65.8176.9000107.5L34 G37 K38 S194 I195 P197L34-I192 HydrophobicContact CD1-CB 4.18Å; L34-I192 HydrophobicContact CD1-CD1 3.56Å; L34-I192 HydrophobicContact CD1-CG1 4.35Å; G37-I192 VanDerWaalsContact CA-CG2 3.48Å; K38-I192 HydrophobicContact CB-CD1 4.47Å; K38-I192 HydrophobicContact CD-CD1 4.29Å; K38-I192 HydrophobicContact CG-CD1 3.35Å; I192-S194 PolarHBondContact O-N 3.02Å; I192-S194 VanDerWaalsContact O-N 3.16Å; I192-I195 PolarHBondContact N-O 3.36Å; I192-I195 PolarHBondContact O-N 2.9Å; I192-P197 HydrophobicContact CD1-CG 4.22Å; I192-P197 HydrophobicContact CG1-CG 4.49Å
193G89.8Confident82Confident10 Ų1059.3 Ų59.310%0.10333%0.326CS..THydrogen-bonded Turntrans57.3-117.1-163.500000109.7L176L176-G193 VanDerWaalsContact CD1-C 3.46Å
194S91.5Very high84Confident12 Ų1252.6 Ų52.68%0.08430%0.298CS..THydrogen-bonded Turntrans-99.23.6176.369.50000114.6Q173 I192 V245Q173-S194 VanDerWaalsContact NE2-N 3.13Å; Q173-S194 PolarHBondContact NE2-OG 3.41Å; Q173-S194 VanDerWaalsContact NE2-OG 3.08Å; I192-S194 PolarHBondContact O-N 3.02Å; I192-S194 VanDerWaalsContact O-N 3.16Å; S194-V245 WeakPolarHBondContact O-CG1 3.33Å
195I95.1Very high85.9Confident0 Ų049 Ų490%028%0.276CS..BIsolated β-bridgetrans-98.6131.2-177.6-65.7164.7000108.8F33 M169 Q191 I192 V243 V245F33-I195 HydrophobicContact CB-CD1 3.35Å; F33-I195 HydrophobicContact CD2-CD1 4.36Å; F33-I195 HydrophobicContact CG-CD1 4.03Å; M169-I195 HydrophobicContact CE-CD1 3.69Å; M169-I195 HydrophobicContact CE-CG1 3.8Å; Q191-I195 WeakPolarHBondContact CA-O 3.34Å; I192-I195 PolarHBondContact N-O 3.36Å; I192-I195 PolarHBondContact O-N 2.9Å; I195-V243 HydrophobicContact CG2-CG1 3.85Å; I195-V245 HydrophobicContact CG1-CG2 3.78Å
196D94.6Very high87.8Confident31 Ų3151.8 Ų51.817%0.16628%0.281CS..EExtended strand (participates in β ladder)trans-97118.3169.4-166.1-27.7000109.2Q191 H198 C199 V243 Y244 P246Q191-D196 HydrophobicContact CG-CB 4.03Å; D196-H198 PolarHBondContact O-N 3.34Å; D196-H198 VanDerWaalsContact OD1-C 3.31Å; D196-H198 PolarHBondContact OD1-N 2.94Å; D196-C199 HydrophobicContact CB-CB 3.97Å; D196-C199 PolarHBondContact OD1-N 3.43Å; D196-V243 WeakPolarHBondContact O-CA 3.47Å; D196-Y244 PolarHBondContact N-O 3.15Å; D196-Y244 PolarHBondContact O-N 3.07Å; D196-Y244 VanDerWaalsContact O-N 3.14Å; D196-P246 HydrophobicContact CB-CG 3.58Å
197P94.8Very high89.7Confident17 Ų1750.7 Ų50.711%0.1127%0.269CS..EExtended strand (participates in β ladder)trans-66.6-19176.9-15.129.1000113.6L34 N190 I192 V243L34-P197 HydrophobicContact CD1-CB 4.22Å; L34-P197 HydrophobicContact CD1-CG 3.81Å; N190-P197 VanDerWaalsContact O-CD 3.31Å; N190-P197 WeakPolarHBondContact O-CD 3.14Å; I192-P197 HydrophobicContact CD1-CG 4.22Å; I192-P197 HydrophobicContact CG1-CG 4.49Å; P197-V243 WeakPolarHBondContact O-CG2 3.41Å
198H94.8Very high91.7Very high136 Ų13647.4 Ų47.463%0.6324%0.242SC*.EExtended strand (participates in β ladder)trans-13548.6-178.6-52.896.5000110.2D196 G200D196-H198 PolarHBondContact O-N 3.34Å; D196-H198 VanDerWaalsContact OD1-C 3.31Å; D196-H198 PolarHBondContact OD1-N 2.94Å; H198-G200 PolarHBondContact O-N 2.73Å
199C95.6Very high93.1Very high1 Ų143.2 Ų43.21%0.00722%0.222CC..EExtended strand (participates in β ladder)trans-56.9112.7-178.5-173.40000110.6D196 V201 T241 V242D196-C199 HydrophobicContact CB-CB 3.97Å; D196-C199 PolarHBondContact OD1-N 3.43Å; C199-V201 PolarHBondContact O-N 2.87Å; C199-V201 VanDerWaalsContact O-N 3.13Å; C199-T241 VanDerWaalsContact O-CA 3.31Å; C199-T241 WeakPolarHBondContact O-CA 3.4Å; C199-V242 HydrophobicContact CB-CG1 4.23Å; C199-V242 WeakPolarHBondContact CB-O 3.29Å; C199-V242 PolarHBondContact N-O 3.23Å; C199-V242 PolarHBondContact O-N 3.41Å
200G96.1Very high94.5Very high15 Ų1543.6 Ų43.616%0.15522%0.218CC..EExtended strand (participates in β ladder)trans-71.198.817300000110.9H198 S202 E203 V204H198-G200 PolarHBondContact O-N 2.73Å; G200-S202 VanDerWaalsContact C-N 3.25Å; G200-S202 PolarHBondContact O-N 2.95Å; G200-E203 PolarHBondContact O-N 3Å; G200-V204 PolarHBondContact O-N 3.47Å
201V97.4Very high95.4Very high0 Ų040.5 Ų40.50%020%0.201CC..Hα-helixtrans-59.9-42.4-176.3-179.70000110.6C199 E203 V204 I205 V240 V242 L249 V281 L288 V290C199-V201 PolarHBondContact O-N 2.87Å; C199-V201 VanDerWaalsContact O-N 3.13Å; V201-E203 VanDerWaalsContact C-N 3.34Å; V201-E203 PolarHBondContact O-N 3.32Å; V201-V204 PolarHBondContact O-N 3.31Å; V201-I205 HydrophobicContact CG1-CD1 3.85Å; V201-I205 WeakPolarHBondContact O-CG1 3.5Å; V201-I205 PolarHBondContact O-N 3.28Å; V201-V240 HydrophobicContact CB-CG1 4.2Å; V201-V240 HydrophobicContact CG2-CG1 3.95Å; V201-V240 PolarHBondContact N-O 3.44Å; V201-V242 HydrophobicContact CG2-CG1 3.79Å; V201-L249 HydrophobicContact CG1-CD2 4.11Å; V201-V281 HydrophobicContact CB-CG1 4.32Å; V201-V281 HydrophobicContact CG1-CG1 3.69Å; V201-V281 HydrophobicContact CG1-CG2 4.13Å; V201-L288 HydrophobicContact CG1-CD2 4.48Å; V201-L288 HydrophobicContact CG2-CD1 4.21Å; V201-L288 HydrophobicContact CG2-CD2 3.67Å; V201-V290 HydrophobicContact CG1-CG2 4.03Å
202S96.9Very high95.9Very high7 Ų738.2 Ų38.25%0.04919%0.19CC..Hα-helixtrans-42.2-55.8170.140.40000114.8G200 I205 R206 L228 E230G200-S202 VanDerWaalsContact C-N 3.25Å; G200-S202 PolarHBondContact O-N 2.95Å; S202-I205 PolarHBondContact O-N 3.18Å; S202-R206 WeakPolarHBondContact O-CG 3.25Å; S202-R206 PolarHBondContact O-N 2.9Å; S202-R206 VanDerWaalsContact O-N 3.12Å; S202-L228 VanDerWaalsContact CB-CD2 3.41Å; S202-E230 WeakPolarHBondContact CB-OE1 3.41Å; S202-E230 VanDerWaalsContact OG-CG 3.23Å; S202-E230 WeakPolarHBondContact OG-CG 3.44Å; S202-E230 PolarHBondContact OG-OE1 3.35Å
203E96.7Very high96.3Very high151 Ų15138.9 Ų38.971%0.70619%0.191SC*.Hα-helixtrans-70.7-43-172.8-61.1177.1169.300110.8G200 V201 I205 R206 D207G200-E203 PolarHBondContact O-N 3Å; V201-E203 VanDerWaalsContact C-N 3.34Å; V201-E203 PolarHBondContact O-N 3.32Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 2.76Å; E203-R206 PolarHBondContact O-N 3.41Å; E203-D207 PolarHBondContact O-N 2.91Å
204V97.9Very high96.6Very high19 Ų1941.8 Ų41.812%0.11520%0.204CC..Hα-helixtrans-62.1-39.4178177.80000111.3G200 V201 A208 P246 L249G200-V204 PolarHBondContact O-N 3.47Å; V201-V204 PolarHBondContact O-N 3.31Å; V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.44Å; V204-A208 PolarHBondContact O-N 2.76Å; V204-P246 HydrophobicContact CG2-CB 4.17Å; V204-L249 HydrophobicContact CB-CD2 3.98Å; V204-L249 HydrophobicContact CB-CG 4.41Å; V204-L249 HydrophobicContact CG1-CB 4.09Å; V204-L249 HydrophobicContact CG1-CD2 3.87Å; V204-L249 HydrophobicContact CG1-CG 3.75Å; V204-L249 HydrophobicContact CG2-CD2 4.43Å
205I98.6Very high96.6Very high0 Ų042.4 Ų42.40%021%0.206CC..Hα-helixtrans-65.1-45176.7-71.3171.1000111.1V201 S202 E203 A208 F209 L228 V253 F257 A279 V281 V290V201-I205 HydrophobicContact CG1-CD1 3.85Å; V201-I205 WeakPolarHBondContact O-CG1 3.5Å; V201-I205 PolarHBondContact O-N 3.28Å; S202-I205 PolarHBondContact O-N 3.18Å; E203-I205 VanDerWaalsContact C-N 3.3Å; E203-I205 PolarHBondContact O-N 2.76Å; I205-A208 PolarHBondContact O-N 3.35Å; I205-F209 WeakPolarHBondContact O-CB 3.38Å; I205-F209 PolarHBondContact O-N 3.44Å; I205-L228 HydrophobicContact CD1-CD1 4.49Å; I205-L228 HydrophobicContact CG2-CD1 4.2Å; I205-L228 HydrophobicContact CG2-CD2 4.33Å; I205-V253 HydrophobicContact CG1-CG1 4.22Å; I205-V253 HydrophobicContact CG1-CG2 4.46Å; I205-F257 HydrophobicContact CG2-CE2 3.89Å; I205-F257 HydrophobicContact CG2-CZ 3.72Å; I205-A279 HydrophobicContact CG2-CB 4.19Å; I205-V281 HydrophobicContact CD1-CG2 3.3Å; I205-V290 HydrophobicContact CD1-CG1 3.7Å; I205-V290 HydrophobicContact CD1-CG2 4.23Å; I205-V290 HydrophobicContact CG1-CG1 4.47Å
206R98.6Very high96.5Very high139 Ų13942.4 Ų42.453%0.52521%0.206SC..Hα-helixtrans-63.1-44.5178.6-70.6178.1-166.2-77.4-1.7111.7S202 E203 F209 E210 L226 L228S202-R206 WeakPolarHBondContact O-CG 3.25Å; S202-R206 PolarHBondContact O-N 2.9Å; S202-R206 VanDerWaalsContact O-N 3.12Å; E203-R206 PolarHBondContact O-N 3.41Å; R206-F209 PolarHBondContact O-N 3.32Å; R206-E210 WeakPolarHBondContact O-CB 3.13Å; R206-E210 PolarHBondContact O-N 2.85Å; R206-L226 HydrophobicContact CG-CD2 4.47Å; R206-L228 HydrophobicContact CG-CD2 3.82Å; R206-L228 VanDerWaalsContact CZ-CD2 3.48Å
207D98Very high96.5Very high87 Ų8743.2 Ų43.247%0.46521%0.211SC..Hα-helixtrans-62.7-45.4177.3-176.236.5000111.6E203 F209 E210 N211 Y250E203-D207 PolarHBondContact O-N 2.91Å; D207-F209 PolarHBondContact O-N 3.48Å; D207-E210 PolarHBondContact O-N 3.35Å; D207-N211 PolarHBondContact O-N 3.03Å; D207-N211 PolarHBondContact O-ND2 3Å; D207-N211 PolarHBondContact OD1-ND2 3.48Å; D207-Y250 HydrophobicContact CB-CE2 4.45Å; D207-Y250 WeakPolarHBondContact OD2-CE2 3.48Å
208A98.3Very high96.3Very high0 Ų050.6 Ų50.60%024%0.236CC..Hα-helixtrans-63.1-40.9176.300000112.8V204 I205 A212 Y250 V253 F254 F257V204-A208 VanDerWaalsContact O-CB 3.31Å; V204-A208 WeakPolarHBondContact O-CB 3.44Å; V204-A208 PolarHBondContact O-N 2.76Å; I205-A208 PolarHBondContact O-N 3.35Å; A208-A212 WeakPolarHBondContact O-CB 3.39Å; A208-A212 PolarHBondContact O-N 2.92Å; A208-Y250 VanDerWaalsContact CA-CE2 3.47Å; A208-Y250 HydrophobicContact CB-CD2 3.79Å; A208-Y250 HydrophobicContact CB-CE2 3.87Å; A208-Y250 HydrophobicContact CB-CG 4.4Å; A208-V253 HydrophobicContact CB-CB 4.39Å; A208-V253 HydrophobicContact CB-CG2 3.41Å; A208-V253 VanDerWaalsContact CB-CG2 3.41Å; A208-F254 HydrophobicContact CB-CB 4.04Å; A208-F257 HydrophobicContact CB-CD2 4.34Å
209F98.6Very high96Very high6 Ų650.9 Ų50.93%0.02624%0.236CC..Hα-helixtrans-61.7-49.3175.8179.4-91.8000111I205 R206 D207 N211 A212 R213 P224 L226 F257 M261 V277I205-F209 WeakPolarHBondContact O-CB 3.38Å; I205-F209 PolarHBondContact O-N 3.44Å; R206-F209 PolarHBondContact O-N 3.32Å; D207-F209 PolarHBondContact O-N 3.48Å; F209-N211 VanDerWaalsContact C-N 3.32Å; F209-N211 PolarHBondContact O-N 2.9Å; F209-A212 CarbonylContact O-C 3.25Å; F209-A212 PolarHBondContact O-N 3.46Å; F209-A212 VanDerWaalsContact O-N 3.13Å; F209-R213 HydrophobicContact CE1-CB 4.37Å; F209-R213 HydrophobicContact CE1-CG 4.45Å; F209-R213 VanDerWaalsContact O-CB 3.3Å; F209-R213 WeakPolarHBondContact O-CB 3.27Å; F209-R213 PolarHBondContact O-N 3.2Å; F209-P224 WeakPolarHBondContact CZ-O 3.48Å; F209-L226 HydrophobicContact CB-CD2 3.98Å; F209-L226 HydrophobicContact CD1-CB 3.8Å; F209-L226 HydrophobicContact CD1-CD2 4.1Å; F209-L226 HydrophobicContact CD1-CG 4.49Å; F209-L226 HydrophobicContact CD2-CB 3.88Å; F209-L226 HydrophobicContact CD2-CD1 3.87Å; F209-L226 HydrophobicContact CD2-CD2 4.24Å; F209-L226 HydrophobicContact CD2-CG 4.21Å; F209-L226 HydrophobicContact CE1-CB 3.59Å; F209-L226 HydrophobicContact CE2-CB 3.65Å; F209-L226 HydrophobicContact CE2-CD1 4.15Å; F209-L226 HydrophobicContact CE2-CG 4.4Å; F209-L226 HydrophobicContact CG-CB 3.95Å; F209-L226 HydrophobicContact CG-CD1 4.32Å; F209-L226 HydrophobicContact CG-CD2 3.83Å; F209-L226 HydrophobicContact CG-CG 4.25Å; F209-L226 HydrophobicContact CZ-CB 3.51Å; F209-F257 HydrophobicContact CB-CD2 3.92Å; F209-F257 HydrophobicContact CB-CE2 3.73Å; F209-F257 HydrophobicContact CB-CG 4.43Å; F209-F257 HydrophobicContact CB-CZ 4.1Å; F209-F257 AromaticContact CD2-CD1 3.71Å; F209-F257 HydrophobicContact CD2-CD1 3.71Å; F209-F257 HydrophobicContact CD2-CD2 4.31Å; F209-F257 AromaticContact CD2-CE1 3.75Å; F209-F257 HydrophobicContact CD2-CE1 3.75Å; F209-F257 HydrophobicContact CD2-CE2 4.35Å; F209-F257 HydrophobicContact CD2-CG 4.01Å; F209-F257 HydrophobicContact CD2-CZ 4.07Å; F209-F257 HydrophobicContact CE2-CD1 4.41Å; F209-M261 HydrophobicContact CD1-CE 4.47Å; F209-M261 HydrophobicContact CD2-CE 3.57Å; F209-M261 HydrophobicContact CE1-CE 4.17Å; F209-M261 HydrophobicContact CE2-CE 3.22Å; F209-M261 HydrophobicContact CG-CE 4.2Å; F209-M261 HydrophobicContact CZ-CE 3.55Å; F209-V277 HydrophobicContact CE2-CB 4.43Å
210E98.3Very high95.7Very high87 Ų8753.4 Ų53.441%0.40725%0.246SC..Hα-helixtrans-62.1-40.6-177.8-170.955.6-146.100111.6R206 D207 R213 N214R206-E210 WeakPolarHBondContact O-CB 3.13Å; R206-E210 PolarHBondContact O-N 2.85Å; D207-E210 PolarHBondContact O-N 3.35Å; E210-R213 WeakPolarHBondContact O-CB 3.38Å; E210-R213 PolarHBondContact O-N 3.44Å; E210-N214 WeakPolarHBondContact O-CB 3.33Å; E210-N214 PolarHBondContact O-N 2.72Å; E210-N214 PolarHBondContact O-ND2 2.85Å; E210-N214 PolarHBondContact OE1-ND2 2.9Å
211N96.8Very high95.5Very high60 Ų6060.6 Ų60.632%0.32128%0.277SS..Hα-helixtrans-67.7-37.6175-75.2-68.7000112.9D207 F209 R213 L215 Y250 F254D207-N211 PolarHBondContact O-N 3.03Å; D207-N211 PolarHBondContact O-ND2 3Å; D207-N211 PolarHBondContact OD1-ND2 3.48Å; F209-N211 VanDerWaalsContact C-N 3.32Å; F209-N211 PolarHBondContact O-N 2.9Å; N211-R213 VanDerWaalsContact C-N 3.34Å; N211-L215 PolarHBondContact O-N 3.21Å; N211-Y250 WeakPolarHBondContact CB-OH 3.3Å; N211-Y250 PolarHBondContact ND2-OH 3.3Å; N211-F254 HydrophobicContact CB-CD2 4.26Å; N211-F254 HydrophobicContact CB-CE2 4.04Å
212A96.9Very high95.3Very high0 Ų063.8 Ų63.80%029%0.294CS..Hα-helixtrans-66.6-38.7173.700000111.3A208 F209 L215 C216 F254 F257 K258 M261A208-A212 WeakPolarHBondContact O-CB 3.39Å; A208-A212 PolarHBondContact O-N 2.92Å; F209-A212 CarbonylContact O-C 3.25Å; F209-A212 PolarHBondContact O-N 3.46Å; F209-A212 VanDerWaalsContact O-N 3.13Å; A212-L215 WeakPolarHBondContact O-CB 3.48Å; A212-L215 PolarHBondContact O-N 3.11Å; A212-L215 VanDerWaalsContact O-N 3.15Å; A212-C216 WeakPolarHBondContact O-CB 3.27Å; A212-C216 PolarHBondContact O-N 3.29Å; A212-F254 HydrophobicContact CB-CD2 4.04Å; A212-F254 HydrophobicContact CB-CE2 4.14Å; A212-F257 HydrophobicContact CB-CB 3.73Å; A212-K258 HydrophobicContact CB-CG 4.12Å; A212-M261 VanDerWaalsContact C-SD 3.57Å; A212-M261 HydrophobicContact CB-CE 4.18Å; A212-M261 HydrophobicContact CB-SD 3.84Å
213R96.7Very high95.2Very high39 Ų3963.7 Ų63.715%0.14729%0.294CS..Hα-helixtrans-58.4-51.6175.4-165.2-176.7-157.6153.98.3111.4F209 E210 N211 L215 C216 D217 S223 E225 M261F209-R213 HydrophobicContact CE1-CB 4.37Å; F209-R213 HydrophobicContact CE1-CG 4.45Å; F209-R213 VanDerWaalsContact O-CB 3.3Å; F209-R213 WeakPolarHBondContact O-CB 3.27Å; F209-R213 PolarHBondContact O-N 3.2Å; E210-R213 WeakPolarHBondContact O-CB 3.38Å; E210-R213 PolarHBondContact O-N 3.44Å; N211-R213 VanDerWaalsContact C-N 3.34Å; R213-L215 PolarHBondContact O-N 3.1Å; R213-L215 VanDerWaalsContact O-N 3.13Å; R213-C216 CarbonylContact O-C 3.56Å; R213-C216 WeakPolarHBondContact O-CA 3.47Å; R213-C216 WeakPolarHBondContact O-CB 3.26Å; R213-C216 PolarHBondContact O-N 3.29Å; R213-D217 PolarHBondContact O-N 2.69Å; R213-S223 WeakPolarHBondContact CG-OG 3.34Å; R213-S223 PolarHBondContact NE-OG 2.79Å; R213-E225 IonicContact CZ-OE1 3.81Å; R213-E225 IonicContact CZ-OE2 3.67Å; R213-E225 IonicContact NH1-OE1 3.67Å; R213-E225 IonicContact NH1-OE2 3.34Å; R213-E225 PolarHBondContact NH1-OE2 2.7Å; R213-E225 IonicContact NH2-OE1 2.74Å; R213-E225 PolarHBondContact NH2-OE1 2.87Å; R213-E225 IonicContact NH2-OE2 2.89Å; R213-E225 PolarHBondContact NH2-OE2 3.02Å; R213-E225 VanDerWaalsContact NH2-OE2 3.07Å; R213-M261 HydrophobicContact CB-CE 3.98Å; R213-M261 HydrophobicContact CG-CE 4.5Å
214N96Very high95.2Very high70 Ų7056.6 Ų56.637%0.37426%0.261SS..Hα-helixtrans-59-27175.9-77.6-59.5000113.7E210 R218E210-N214 WeakPolarHBondContact O-CB 3.33Å; E210-N214 PolarHBondContact O-N 2.72Å; E210-N214 PolarHBondContact O-ND2 2.85Å; E210-N214 PolarHBondContact OE1-ND2 2.9Å; N214-R218 WeakPolarHBondContact O-CG 3.28Å; N214-R218 PolarHBondContact O-NE 2.84Å
215L92.3Very high95.2Very high25 Ų2561 Ų6113%0.13128%0.28CS..Hα-helixtrans-79.7-41.4171.8-76.2164.9000112N211 A212 R213 R218 F219 F254 K258 L328N211-L215 PolarHBondContact O-N 3.21Å; A212-L215 WeakPolarHBondContact O-CB 3.48Å; A212-L215 PolarHBondContact O-N 3.11Å; A212-L215 VanDerWaalsContact O-N 3.15Å; R213-L215 PolarHBondContact O-N 3.1Å; R213-L215 VanDerWaalsContact O-N 3.13Å; L215-R218 PolarHBondContact O-N 3.05Å; L215-F219 PolarHBondContact O-N 3.43Å; L215-F254 HydrophobicContact CD1-CE2 3.84Å; L215-F254 HydrophobicContact CD1-CZ 3.44Å; L215-F254 VanDerWaalsContact CD1-CZ 3.44Å; L215-K258 HydrophobicContact CD1-CD 4.33Å; L215-L328 HydrophobicContact CB-CD1 4.06Å
216C93.4Very high95.2Very high0 Ų062.7 Ų62.70%029%0.289CS..Hα-helixtrans-60.1-50.7176-172.30000111.1A212 R213 R218 F219 Y220 N222 M261 M265A212-C216 WeakPolarHBondContact O-CB 3.27Å; A212-C216 PolarHBondContact O-N 3.29Å; R213-C216 CarbonylContact O-C 3.56Å; R213-C216 WeakPolarHBondContact O-CA 3.47Å; R213-C216 WeakPolarHBondContact O-CB 3.26Å; R213-C216 PolarHBondContact O-N 3.29Å; C216-R218 VanDerWaalsContact C-N 3.28Å; C216-R218 PolarHBondContact O-N 2.94Å; C216-F219 PolarHBondContact O-N 2.97Å; C216-Y220 PolarHBondContact O-N 2.91Å; C216-N222 PolarHBondContact SG-O 2.79Å; C216-N222 VanDerWaalsContact SG-O 3.35Å; C216-M261 HydrophobicContact CB-CB 4.37Å; C216-M261 HydrophobicContact CB-SD 3.87Å; C216-M265 VanDerWaalsContact SG-CG 3.56Å
217D93.7Very high95.2Very high49 Ų4959.3 Ų59.326%0.26228%0.281SS..Hα-helixtrans-60.3-37.5179.6-67.3-28000111.9R213 F219 M221 N222 S223R213-D217 PolarHBondContact O-N 2.69Å; D217-F219 PolarHBondContact O-N 2.77Å; D217-M221 WeakPolarHBondContact O-CA 3.29Å; D217-M221 PolarHBondContact O-N 3.19Å; D217-N222 WeakPolarHBondContact OD1-CA 3.49Å; D217-S223 WeakPolarHBondContact OD1-CB 3.49Å; D217-S223 PolarHBondContact OD1-N 3.37Å; D217-S223 PolarHBondContact OD1-OG 3.07Å
218R91.3Very high95.2Very high171 Ų17156.5 Ų56.565%0.64527%0.266SS*.Hα-helixtrans-66-25.3175.9-80.1-174.2-72.2175.6-7.7113.6N214 L215 C216N214-R218 WeakPolarHBondContact O-CG 3.28Å; N214-R218 PolarHBondContact O-NE 2.84Å; L215-R218 PolarHBondContact O-N 3.05Å; C216-R218 VanDerWaalsContact C-N 3.28Å; C216-R218 PolarHBondContact O-N 2.94Å
219F87.6Confident95.1Very high142 Ų14260.3 Ų60.362%0.62328%0.283SS*.Hα-helixtrans-100.4-41.4-175.9-168.4-90000112.7L215 C216 D217L215-F219 PolarHBondContact O-N 3.43Å; C216-F219 PolarHBondContact O-N 2.97Å; D217-F219 PolarHBondContact O-N 2.77Å
220Y89.8Confident95Very high54 Ų5463.5 Ų63.521%0.21230%0.298CS..Hα-helixtrans-108.3-0.8-176.1-61.6-74.3000113.5C216 N222 M265 E266 L328C216-Y220 PolarHBondContact O-N 2.91Å; Y220-N222 PolarHBondContact O-N 3.26Å; Y220-M265 HydrophobicContact CD1-CB 3.97Å; Y220-M265 HydrophobicContact CD2-CB 3.87Å; Y220-M265 HydrophobicContact CD2-CG 3.86Å; Y220-M265 HydrophobicContact CE1-CB 4.14Å; Y220-M265 HydrophobicContact CE2-CB 4.02Å; Y220-M265 HydrophobicContact CE2-CG 4.32Å; Y220-M265 HydrophobicContact CG-CB 3.84Å; Y220-M265 HydrophobicContact CG-CE 4.33Å; Y220-M265 HydrophobicContact CG-CG 4.05Å; Y220-E266 HydrophobicContact CE1-CG 4.36Å; Y220-E266 PolarHBondContact OH-OE1 2.96Å; Y220-L328 HydrophobicContact CD2-CD2 4.33Å; Y220-L328 HydrophobicContact CE2-CD2 3.46Å; Y220-L328 VanDerWaalsContact CE2-CD2 3.46Å
221M90.8Very high94.9Very high166 Ų16664 Ų6482%0.81830%0.299SS*.SBendtrans61.56.8-175.9-58.5-62.8-60.100115D217D217-M221 WeakPolarHBondContact O-CA 3.29Å; D217-M221 PolarHBondContact O-N 3.19Å
222N93.2Very high94.8Very high67 Ų6761.9 Ų61.936%0.35829%0.288SS..  trans-161.4171.2177.2-153.6-16.9000110.2C216 D217 Y220 M265 Y274C216-N222 PolarHBondContact SG-O 2.79Å; C216-N222 VanDerWaalsContact SG-O 3.35Å; D217-N222 WeakPolarHBondContact OD1-CA 3.49Å; Y220-N222 PolarHBondContact O-N 3.26Å; N222-M265 HydrophobicContact CB-CE 4.04Å; N222-M265 WeakPolarHBondContact O-CE 3.36Å; N222-Y274 HydrophobicContact CB-CE2 4.11Å
223S95.1Very high94.6Very high6 Ų667.2 Ų67.24%0.04232%0.32CS..  trans-156.6152.1-179.351.40000112.3R213 D217R213-S223 WeakPolarHBondContact CG-OG 3.34Å; R213-S223 PolarHBondContact NE-OG 2.79Å; D217-S223 WeakPolarHBondContact OD1-CB 3.49Å; D217-S223 PolarHBondContact OD1-N 3.37Å; D217-S223 PolarHBondContact OD1-OG 3.07Å
224P97.1Very high94.1Very high1 Ų169.7 Ų69.71%0.00633%0.332CS..PPolyproline II helixtrans-68.8154.4172.530.4-35.4000111.4F209 M261 T264 P275 V277F209-P224 WeakPolarHBondContact CZ-O 3.48Å; P224-M261 HydrophobicContact CG-CB 4.38Å; P224-M261 HydrophobicContact CG-CG 3.81Å; P224-T264 HydrophobicContact CB-CG2 4.46Å; P224-P275 WeakPolarHBondContact CB-O 3.46Å; P224-V277 HydrophobicContact CB-CG2 4.16Å; P224-V277 HydrophobicContact CG-CG2 3.76Å
225E97.6Very high93.7Very high112 Ų11270 Ų7052%0.52333%0.334SS..PPolyproline II helixtrans-76.8163.1173.1-70-62.7157.700112.9R213 P276 V277R213-E225 IonicContact CZ-OE1 3.81Å; R213-E225 IonicContact CZ-OE2 3.67Å; R213-E225 IonicContact NH1-OE1 3.67Å; R213-E225 IonicContact NH1-OE2 3.34Å; R213-E225 PolarHBondContact NH1-OE2 2.7Å; R213-E225 IonicContact NH2-OE1 2.74Å; R213-E225 PolarHBondContact NH2-OE1 2.87Å; R213-E225 IonicContact NH2-OE2 2.89Å; R213-E225 PolarHBondContact NH2-OE2 3.02Å; R213-E225 VanDerWaalsContact NH2-OE2 3.07Å; E225-P276 HydrophobicContact CB-CB 4.32Å; E225-P276 CarbonylContact O-C 3.57Å; E225-P276 VanDerWaalsContact O-CA 3.3Å; E225-P276 WeakPolarHBondContact O-CA 3.36Å; E225-P276 WeakPolarHBondContact O-CB 3.36Å; E225-V277 PolarHBondContact O-N 2.82Å
226L98.6Very high93.5Very high35 Ų3577.5 Ų77.518%0.18337%0.368CS..EExtended strand (participates in β ladder)trans-99.9128.3172.5179.463.2000111.3R206 F209 L228 F257 A279R206-L226 HydrophobicContact CG-CD2 4.47Å; F209-L226 HydrophobicContact CB-CD2 3.98Å; F209-L226 HydrophobicContact CD1-CB 3.8Å; F209-L226 HydrophobicContact CD1-CD2 4.1Å; F209-L226 HydrophobicContact CD1-CG 4.49Å; F209-L226 HydrophobicContact CD2-CB 3.88Å; F209-L226 HydrophobicContact CD2-CD1 3.87Å; F209-L226 HydrophobicContact CD2-CD2 4.24Å; F209-L226 HydrophobicContact CD2-CG 4.21Å; F209-L226 HydrophobicContact CE1-CB 3.59Å; F209-L226 HydrophobicContact CE2-CB 3.65Å; F209-L226 HydrophobicContact CE2-CD1 4.15Å; F209-L226 HydrophobicContact CE2-CG 4.4Å; F209-L226 HydrophobicContact CG-CB 3.95Å; F209-L226 HydrophobicContact CG-CD1 4.32Å; F209-L226 HydrophobicContact CG-CD2 3.83Å; F209-L226 HydrophobicContact CG-CG 4.25Å; F209-L226 HydrophobicContact CZ-CB 3.51Å; L226-L228 HydrophobicContact CD2-CB 4.18Å; L226-L228 HydrophobicContact CG-CB 4.14Å; L226-F257 HydrophobicContact CD1-CE1 4.04Å; L226-F257 HydrophobicContact CD1-CZ 4.1Å; L226-A279 HydrophobicContact CD1-CB 3.84Å
227I98.6Very high93.2Very high68 Ų6881.7 Ų81.735%0.34941%0.411SS..EExtended strand (participates in β ladder)trans-108.9114.7161.6-64.5176.1000107.9E229 P276 V277 H278 A279I227-E229 HydrophobicContact CG2-CG 4.5Å; I227-P276 HydrophobicContact CD1-CB 3.84Å; I227-P276 HydrophobicContact CD1-CG 3.47Å; I227-P276 VanDerWaalsContact CD1-CG 3.47Å; I227-P276 HydrophobicContact CG1-CB 3.95Å; I227-P276 HydrophobicContact CG1-CG 4.16Å; I227-V277 PolarHBondContact N-O 3.32Å; I227-H278 CarbonylContact O-C 3.52Å; I227-H278 WeakPolarHBondContact O-CA 3.38Å; I227-A279 PolarHBondContact O-N 3.33Å
228L98.4Very high93.1Very high29 Ų2985.1 Ų85.115%0.15242%0.424CS..EExtended strand (participates in β ladder)trans-115.8120.8-176.9174.457.9000110.8S202 I205 R206 L226 A279 V281S202-L228 VanDerWaalsContact CB-CD2 3.41Å; I205-L228 HydrophobicContact CD1-CD1 4.49Å; I205-L228 HydrophobicContact CG2-CD1 4.2Å; I205-L228 HydrophobicContact CG2-CD2 4.33Å; R206-L228 HydrophobicContact CG-CD2 3.82Å; R206-L228 VanDerWaalsContact CZ-CD2 3.48Å; L226-L228 HydrophobicContact CD2-CB 4.18Å; L226-L228 HydrophobicContact CG-CB 4.14Å; L228-A279 VanDerWaalsContact CA-O 3.31Å; L228-A279 WeakPolarHBondContact CA-O 3.14Å; L228-A279 HydrophobicContact CD1-CB 3.86Å; L228-V281 HydrophobicContact CD1-CG2 4.05Å
229E97.4Very high93.2Very high80 Ų8081.4 Ų81.437%0.37442%0.422SS..EExtended strand (participates in β ladder)trans-118.3140177.9-60.7177.6141.700110.7I227 F231 A279 Q280 V281I227-E229 HydrophobicContact CG2-CG 4.5Å; E229-F231 HydrophobicContact CB-CE2 3.76Å; E229-F231 HydrophobicContact CB-CZ 4.05Å; E229-A279 PolarHBondContact N-O 2.89Å; E229-Q280 HydrophobicContact CB-CG 4.41Å; E229-Q280 WeakPolarHBondContact O-CA 3.2Å; E229-Q280 PolarHBondContact OE2-NE2 3.22Å; E229-V281 PolarHBondContact O-N 2.9Å
230E96.1Very high93.6Very high73 Ų7374.7 Ų74.734%0.34139%0.393SS..EExtended strand (participates in β ladder)trans-122.5134.4179.2-71.2-177.5-146.400111.1S202 V240 V281S202-E230 WeakPolarHBondContact CB-OE1 3.41Å; S202-E230 VanDerWaalsContact OG-CG 3.23Å; S202-E230 WeakPolarHBondContact OG-CG 3.44Å; S202-E230 PolarHBondContact OG-OE1 3.35Å; E230-V240 HydrophobicContact CB-CG2 4.4Å; E230-V240 PolarHBondContact OE2-N 3.37Å; E230-V240 VanDerWaalsContact OE2-N 3.15Å; E230-V281 CarbonylContact C-O 3.51Å; E230-V281 WeakPolarHBondContact CA-O 3.28Å; E230-V281 HydrophobicContact CG-CB 4.25Å
231F95.5Very high93.9Very high96 Ų9675.3 Ų75.342%0.42140%0.402SS..EExtended strand (participates in β ladder)trans-127.196.5178.9-55.8-84.8000108.8E229 Q280 V281 A282 L283E229-F231 HydrophobicContact CB-CE2 3.76Å; E229-F231 HydrophobicContact CB-CZ 4.05Å; F231-Q280 HydrophobicContact CE2-CB 4.44Å; F231-V281 PolarHBondContact N-O 2.89Å; F231-A282 HydrophobicContact CB-CB 4.31Å; F231-A282 CarbonylContact O-C 3.36Å; F231-A282 WeakPolarHBondContact O-CA 3.39Å; F231-L283 PolarHBondContact O-N 2.95Å
232N95.3Very high94.2Very high17 Ų1767.8 Ų67.89%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-97.994.4177.6-169.1-11.8000110.2K234 D235 E236 K238 P239 V240N232-K234 VanDerWaalsContact C-N 3.26Å; N232-K234 PolarHBondContact O-N 3.33Å; N232-K234 PolarHBondContact OD1-N 2.77Å; N232-D235 WeakPolarHBondContact CB-O 3.01Å; N232-D235 VanDerWaalsContact CG-O 3.28Å; N232-D235 PolarHBondContact ND2-O 3.3Å; N232-D235 CarbonylContact O-C 3.58Å; N232-D235 PolarHBondContact OD1-N 3.38Å; N232-D235 VanDerWaalsContact OD1-N 3.1Å; N232-E236 PolarHBondContact O-N 3.41Å; N232-K238 WeakPolarHBondContact CB-O 3.45Å; N232-K238 PolarHBondContact ND2-O 3.02Å; N232-P239 PolarHBondContact ND2-O 3.28Å; N232-V240 HydrophobicContact CB-CG2 3.89Å
233V91.3Very high94.4Very high111 Ų11166 Ų6667%0.67336%0.357SS*.SBendtrans-71.3-25.4-178.5-175.80000111.4L283V233-L283 WeakPolarHBondContact CB-O 3.49Å; V233-L283 PolarHBondContact N-O 3.12Å; V233-L283 VanDerWaalsContact N-O 3.11Å
234K86.3Confident94.5Very high92 Ų9265.8 Ų65.840%0.436%0.355SS..SBendtrans-74.4-38.8178.4-76.5-179.3167.7152.80112.3N232 L283 G284 S285N232-K234 VanDerWaalsContact C-N 3.26Å; N232-K234 PolarHBondContact O-N 3.33Å; N232-K234 PolarHBondContact OD1-N 2.77Å; K234-L283 HydrophobicContact CD-CD2 4.21Å; K234-L283 HydrophobicContact CD-CG 4.23Å; K234-G284 WeakPolarHBondContact CE-O 3.08Å; K234-G284 PolarHBondContact NZ-O 2.79Å; K234-S285 PolarHBondContact NZ-O 3.13Å
235D89.1Confident94.5Very high77 Ų7765.8 Ų65.841%0.41236%0.355SS..SBendtrans-14588.2-177.2-77.6-78.8000110.1N232 G237 K238N232-D235 WeakPolarHBondContact CB-O 3.01Å; N232-D235 VanDerWaalsContact CG-O 3.28Å; N232-D235 PolarHBondContact ND2-O 3.3Å; N232-D235 CarbonylContact O-C 3.58Å; N232-D235 PolarHBondContact OD1-N 3.38Å; N232-D235 VanDerWaalsContact OD1-N 3.1Å; D235-G237 PolarHBondContact O-N 3.41Å; D235-K238 HydrophobicContact CB-CB 3.98Å; D235-K238 HydrophobicContact CB-CD 3.79Å; D235-K238 HydrophobicContact CB-CG 4.04Å; D235-K238 PolarHBondContact O-N 3.18Å; D235-K238 VanDerWaalsContact O-N 3.12Å; D235-K238 IonicContact OD1-NZ 3.75Å; D235-K238 PolarHBondContact OD1-NZ 3.23Å
236E88.1Confident94.5Very high181 Ų18161.4 Ų61.485%0.84634%0.336SS*.THydrogen-bonded Turntrans-54.8133.9-180-71.2-174.4176.100111.8N232 K238N232-E236 PolarHBondContact O-N 3.41Å; E236-K238 VanDerWaalsContact C-N 3.26Å; E236-K238 PolarHBondContact O-N 2.92Å
237G85.9Confident94.4Very high88 Ų8863.1 Ų63.191%0.90735%0.351SS*.THydrogen-bonded Turntrans78.6-5.4-179.900000115.6D235D235-G237 PolarHBondContact O-N 3.41Å
238K92.3Very high94.4Very high122 Ų12260.6 Ų60.653%0.5334%0.338SS..SBendtrans-93.7146.5172.2-63-169.1-165.1149.60111.7N232 D235 E236N232-K238 WeakPolarHBondContact CB-O 3.45Å; N232-K238 PolarHBondContact ND2-O 3.02Å; D235-K238 HydrophobicContact CB-CB 3.98Å; D235-K238 HydrophobicContact CB-CD 3.79Å; D235-K238 HydrophobicContact CB-CG 4.04Å; D235-K238 PolarHBondContact O-N 3.18Å; D235-K238 VanDerWaalsContact O-N 3.12Å; D235-K238 IonicContact OD1-NZ 3.75Å; D235-K238 PolarHBondContact OD1-NZ 3.23Å; E236-K238 VanDerWaalsContact C-N 3.26Å; E236-K238 PolarHBondContact O-N 2.92Å
239P93.9Very high94.4Very high93 Ų9359.2 Ų59.260%0.60433%0.331SS*.PPolyproline II helixtrans-55.5143.6174.3-2433.5000112.5N232 T241N232-P239 PolarHBondContact ND2-O 3.28Å; P239-T241 PolarHBondContact O-N 3.19Å
240V96.4Very high94.4Very high1 Ų158.2 Ų58.21%0.00632%0.324CS..PPolyproline II helixtrans-73.2118.4175.8174.70000110.3V201 E230 N232 V281 L283 L288V201-V240 HydrophobicContact CB-CG1 4.2Å; V201-V240 HydrophobicContact CG2-CG1 3.95Å; V201-V240 PolarHBondContact N-O 3.44Å; E230-V240 HydrophobicContact CB-CG2 4.4Å; E230-V240 PolarHBondContact OE2-N 3.37Å; E230-V240 VanDerWaalsContact OE2-N 3.15Å; N232-V240 HydrophobicContact CB-CG2 3.89Å; V240-V281 HydrophobicContact CB-CG1 4.08Å; V240-V281 HydrophobicContact CG1-CG1 3.82Å; V240-V281 HydrophobicContact CG2-CG1 4.18Å; V240-L283 HydrophobicContact CG1-CB 3.81Å; V240-L283 HydrophobicContact CG1-CD2 4.23Å; V240-L283 HydrophobicContact CG1-CG 4.49Å; V240-L283 HydrophobicContact CG2-CB 4.18Å; V240-L288 HydrophobicContact CG1-CD1 3.53Å
241T95.9Very high94.5Very high66 Ų6657.2 Ų57.241%0.40532%0.319SS..EExtended strand (participates in β ladder)trans-124.8149.8175.859.20000111.7C199 P239C199-T241 VanDerWaalsContact O-CA 3.31Å; C199-T241 WeakPolarHBondContact O-CA 3.4Å; P239-T241 PolarHBondContact O-N 3.19Å
242V96.2Very high94.6Very high8 Ų852.6 Ų52.65%0.04830%0.299CS..EExtended strand (participates in β ladder)trans-147.3153.5178.865.60000110.6C199 V201 Y244 L288C199-V242 HydrophobicContact CB-CG1 4.23Å; C199-V242 WeakPolarHBondContact CB-O 3.29Å; C199-V242 PolarHBondContact N-O 3.23Å; C199-V242 PolarHBondContact O-N 3.41Å; V201-V242 HydrophobicContact CG2-CG1 3.79Å; V242-Y244 PolarHBondContact O-N 3.24Å; V242-L288 HydrophobicContact CB-CD2 4.01Å; V242-L288 HydrophobicContact CG1-CD2 3.58Å; V242-L288 HydrophobicContact CG2-CD2 4.32Å
243V97Very high94.8Very high29 Ų2951.8 Ų51.818%0.17630%0.295CS..EExtended strand (participates in β ladder)trans-76109.4166.2179.80000107.8L34 I195 D196 P197L34-V243 HydrophobicContact CD2-CG1 4.23Å; I195-V243 HydrophobicContact CG2-CG1 3.85Å; D196-V243 WeakPolarHBondContact O-CA 3.47Å; P197-V243 WeakPolarHBondContact O-CG2 3.41Å
244Y97.8Very high95.1Very high2 Ų247.7 Ų47.71%0.00827%0.268CS..EExtended strand (participates in β ladder)trans-154.4175.3-178.3-151.6-110.3000112.8M30 D196 V242 P246 H248 L249 M252 F345 I365M30-Y244 HydrophobicContact CE-CD2 3.19Å; M30-Y244 HydrophobicContact CE-CE2 3.34Å; M30-Y244 HydrophobicContact CE-CG 3.94Å; M30-Y244 HydrophobicContact SD-CD2 3.88Å; M30-Y244 HydrophobicContact SD-CE2 4.44Å; D196-Y244 PolarHBondContact N-O 3.15Å; D196-Y244 PolarHBondContact O-N 3.07Å; D196-Y244 VanDerWaalsContact O-N 3.14Å; V242-Y244 PolarHBondContact O-N 3.24Å; Y244-P246 WeakPolarHBondContact O-CD 3.43Å; Y244-H248 HydrophobicContact CE1-CB 4.05Å; Y244-L249 HydrophobicContact CD1-CB 4.01Å; Y244-L249 HydrophobicContact CE1-CB 4.13Å; Y244-M252 HydrophobicContact CE1-CE 4.26Å; Y244-F345 HydrophobicContact CE2-CD2 4.47Å; Y244-I365 HydrophobicContact CD1-CD1 4.36Å; Y244-I365 HydrophobicContact CD2-CG2 3.59Å; Y244-I365 HydrophobicContact CE1-CD1 3.93Å; Y244-I365 HydrophobicContact CE2-CB 4.42Å; Y244-I365 HydrophobicContact CE2-CD1 4.22Å; Y244-I365 HydrophobicContact CE2-CG1 4.15Å; Y244-I365 HydrophobicContact CE2-CG2 3.43Å; Y244-I365 VanDerWaalsContact CE2-CG2 3.43Å; Y244-I365 HydrophobicContact CG-CG2 4.45Å
245V97.5Very high95.6Very high1 Ų144.5 Ų44.51%0.00625%0.254CS..  trans-94.1105.7171.2178.60000107.9M30 M169 S194 I195 S247 H248 L249 F345M30-V245 HydrophobicContact CE-CG2 4.46Å; M169-V245 HydrophobicContact CE-CG2 3.84Å; M169-V245 HydrophobicContact SD-CG2 4.06Å; S194-V245 WeakPolarHBondContact O-CG1 3.33Å; I195-V245 HydrophobicContact CG1-CG2 3.78Å; V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 WeakPolarHBondContact CG1-OG 3.39Å; V245-S247 PolarHBondContact O-N 3.38Å; V245-H248 HydrophobicContact CB-CB 4.13Å; V245-H248 HydrophobicContact CG1-CB 4.22Å; V245-H248 VanDerWaalsContact CG1-CD2 3.4Å; V245-H248 WeakPolarHBondContact CG1-CD2 3.33Å; V245-H248 WeakPolarHBondContact O-CB 3.3Å; V245-H248 PolarHBondContact O-N 3.26Å; V245-L249 PolarHBondContact O-N 3.37Å; V245-F345 HydrophobicContact CG2-CE2 4.38Å
246P96.8Very high96.1Very high20 Ų2041.1 Ų41.113%0.1324%0.236CC..Hα-helixtrans-58.3-39.3-172-2635000112.9D196 V204 Y244 H248 L249 Y250D196-P246 HydrophobicContact CB-CG 3.58Å; V204-P246 HydrophobicContact CG2-CB 4.17Å; Y244-P246 WeakPolarHBondContact O-CD 3.43Å; P246-H248 VanDerWaalsContact C-N 3.27Å; P246-H248 PolarHBondContact O-N 3.21Å; P246-L249 PolarHBondContact O-N 3.3Å; P246-Y250 WeakPolarHBondContact O-CB 3.08Å; P246-Y250 PolarHBondContact O-N 2.95Å
247S96.4Very high96.6Very high71 Ų7132.5 Ų32.550%0.49720%0.196SC..Hα-helixtrans-63-28.6177.661.10000114.1V245 H251V245-S247 VanDerWaalsContact C-N 3.27Å; V245-S247 WeakPolarHBondContact CG1-OG 3.39Å; V245-S247 PolarHBondContact O-N 3.38Å; S247-H251 WeakPolarHBondContact O-CB 3.19Å; S247-H251 PolarHBondContact O-N 3.42Å; S247-H251 VanDerWaalsContact O-N 3.1Å
248H98.3Very high97Very high15 Ų1528.9 Ų28.97%0.06916%0.155CC..Hα-helixtrans-73.1-45.4175-69.5-165000110.4Y244 V245 P246 H251 M252 Y341Y244-H248 HydrophobicContact CE1-CB 4.05Å; V245-H248 HydrophobicContact CB-CB 4.13Å; V245-H248 HydrophobicContact CG1-CB 4.22Å; V245-H248 VanDerWaalsContact CG1-CD2 3.4Å; V245-H248 WeakPolarHBondContact CG1-CD2 3.33Å; V245-H248 WeakPolarHBondContact O-CB 3.3Å; V245-H248 PolarHBondContact O-N 3.26Å; P246-H248 VanDerWaalsContact C-N 3.27Å; P246-H248 PolarHBondContact O-N 3.21Å; H248-H251 PolarHBondContact O-N 3.07Å; H248-M252 WeakPolarHBondContact O-CG 3.43Å; H248-M252 PolarHBondContact O-N 2.84Å; H248-Y341 HydrophobicContact CB-CD1 3.93Å; H248-Y341 HydrophobicContact CB-CE1 4.45Å; H248-Y341 AromaticContact CD2-CD1 3.87Å; H248-Y341 AromaticContact CD2-CE1 3.58Å; H248-Y341 AromaticContact CE1-CE1 3.98Å; H248-Y341 AromaticContact CG-CD1 3.58Å; H248-Y341 AromaticContact CG-CE1 3.79Å; H248-Y341 AromaticContact ND1-CD1 3.69Å; H248-Y341 AromaticContact NE2-CE1 3.7Å
249L98.6Very high97.2Very high0 Ų025.6 Ų25.60%014%0.143CC..Hα-helixtrans-59.8-51.6175.2175.360.1000110.4V201 V204 Y244 V245 P246 H251 M252 V253 I365V201-L249 HydrophobicContact CG1-CD2 4.11Å; V204-L249 HydrophobicContact CB-CD2 3.98Å; V204-L249 HydrophobicContact CB-CG 4.41Å; V204-L249 HydrophobicContact CG1-CB 4.09Å; V204-L249 HydrophobicContact CG1-CD2 3.87Å; V204-L249 HydrophobicContact CG1-CG 3.75Å; V204-L249 HydrophobicContact CG2-CD2 4.43Å; Y244-L249 HydrophobicContact CD1-CB 4.01Å; Y244-L249 HydrophobicContact CE1-CB 4.13Å; V245-L249 PolarHBondContact O-N 3.37Å; P246-L249 PolarHBondContact O-N 3.3Å; L249-H251 VanDerWaalsContact C-N 3.31Å; L249-H251 PolarHBondContact O-N 3.24Å; L249-M252 HydrophobicContact CD1-CE 4.27Å; L249-M252 PolarHBondContact O-N 3.05Å; L249-M252 VanDerWaalsContact O-N 3.09Å; L249-V253 HydrophobicContact CD1-CG1 4.03Å; L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.34Å; L249-V253 PolarHBondContact O-N 3.34Å; L249-I365 HydrophobicContact CD1-CD1 4.05Å
250Y98.4Very high97.4Very high60 Ų6021.2 Ų21.224%0.23512%0.115CC..Hα-helixtrans-49-51.4176.6177.4-84.6000111.4D207 A208 N211 P246 M252 V253 F254D207-Y250 HydrophobicContact CB-CE2 4.45Å; D207-Y250 WeakPolarHBondContact OD2-CE2 3.48Å; A208-Y250 VanDerWaalsContact CA-CE2 3.47Å; A208-Y250 HydrophobicContact CB-CD2 3.79Å; A208-Y250 HydrophobicContact CB-CE2 3.87Å; A208-Y250 HydrophobicContact CB-CG 4.4Å; N211-Y250 WeakPolarHBondContact CB-OH 3.3Å; N211-Y250 PolarHBondContact ND2-OH 3.3Å; P246-Y250 WeakPolarHBondContact O-CB 3.08Å; P246-Y250 PolarHBondContact O-N 2.95Å; Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 3.01Å; Y250-V253 WeakPolarHBondContact O-CG2 3.47Å; Y250-V253 PolarHBondContact O-N 3.25Å; Y250-F254 HydrophobicContact CD1-CB 4.36Å; Y250-F254 HydrophobicContact CE1-CB 4.07Å; Y250-F254 HydrophobicContact CE1-CD2 4.4Å; Y250-F254 HydrophobicContact CE1-CG 4.17Å; Y250-F254 WeakPolarHBondContact O-CB 3.3Å; Y250-F254 PolarHBondContact O-N 3.35Å
251H97.2Very high97.5Very high51 Ų5121.2 Ų21.224%0.23612%0.115CC..Hα-helixtrans-58.6-44.8-179-178.478.8000112.2S247 H248 L249 E255 Y341S247-H251 WeakPolarHBondContact O-CB 3.19Å; S247-H251 PolarHBondContact O-N 3.42Å; S247-H251 VanDerWaalsContact O-N 3.1Å; H248-H251 PolarHBondContact O-N 3.07Å; L249-H251 VanDerWaalsContact C-N 3.31Å; L249-H251 PolarHBondContact O-N 3.24Å; H251-E255 WeakPolarHBondContact O-CG 3.29Å; H251-E255 PolarHBondContact O-N 2.93Å; H251-E255 VanDerWaalsContact O-N 3.1Å; H251-Y341 AromaticContact CD2-CD2 3.35Å; H251-Y341 WeakPolarHBondContact CD2-CD2 3.31Å; H251-Y341 AromaticContact CD2-CE2 3.33Å; H251-Y341 WeakPolarHBondContact CD2-CE2 3.45Å; H251-Y341 AromaticContact CG-CE2 3.92Å; H251-Y341 AromaticContact NE2-CD2 3.98Å; H251-Y341 AromaticContact NE2-CE2 3.71Å
252M98.6Very high97.4Very high0 Ų019.6 Ų19.60%010%0.101CC..Hα-helixtrans-63.4-51.7179.6-64.2-175.8-68.100111.6Y244 H248 L249 Y250 F254 E255 L256 S338 A342 I363 I365Y244-M252 HydrophobicContact CE1-CE 4.26Å; H248-M252 WeakPolarHBondContact O-CG 3.43Å; H248-M252 PolarHBondContact O-N 2.84Å; L249-M252 HydrophobicContact CD1-CE 4.27Å; L249-M252 PolarHBondContact O-N 3.05Å; L249-M252 VanDerWaalsContact O-N 3.09Å; Y250-M252 VanDerWaalsContact C-N 3.33Å; Y250-M252 PolarHBondContact O-N 3.01Å; M252-F254 PolarHBondContact O-N 3.04Å; M252-E255 PolarHBondContact O-N 3.47Å; M252-L256 WeakPolarHBondContact O-CG 3.42Å; M252-L256 PolarHBondContact O-N 2.83Å; M252-L256 VanDerWaalsContact O-N 3.11Å; M252-S338 WeakPolarHBondContact CG-O 3.3Å; M252-S338 VanDerWaalsContact SD-O 3.38Å; M252-A342 HydrophobicContact SD-CB 3.62Å; M252-A342 PolarHBondContact SD-N 3.25Å; M252-I363 HydrophobicContact CB-CD1 3.63Å; M252-I363 HydrophobicContact CE-CG2 3.92Å; M252-I363 HydrophobicContact SD-CG2 4.09Å; M252-I365 HydrophobicContact CE-CD1 4.18Å
253V98.5Very high97.5Very high0 Ų020.6 Ų20.60%011%0.111CC..Hα-helixtrans-69.8-34.4-177.3-66.40000112.1I205 A208 L249 Y250 L256 F257 V290 I363I205-V253 HydrophobicContact CG1-CG1 4.22Å; I205-V253 HydrophobicContact CG1-CG2 4.46Å; A208-V253 HydrophobicContact CB-CB 4.39Å; A208-V253 HydrophobicContact CB-CG2 3.41Å; A208-V253 VanDerWaalsContact CB-CG2 3.41Å; L249-V253 HydrophobicContact CD1-CG1 4.03Å; L249-V253 VanDerWaalsContact O-CG2 3.31Å; L249-V253 WeakPolarHBondContact O-CG2 3.34Å; L249-V253 PolarHBondContact O-N 3.34Å; Y250-V253 WeakPolarHBondContact O-CG2 3.47Å; Y250-V253 PolarHBondContact O-N 3.25Å; V253-L256 PolarHBondContact O-N 3.16Å; V253-F257 HydrophobicContact CB-CD2 4.36Å; V253-F257 HydrophobicContact CB-CE2 4.12Å; V253-F257 WeakPolarHBondContact O-CB 3.45Å; V253-F257 WeakPolarHBondContact O-CD2 3.42Å; V253-F257 WeakPolarHBondContact O-CG 3.35Å; V253-F257 PolarHBondContact O-N 2.75Å; V253-V290 HydrophobicContact CG1-CG1 4.06Å; V253-I363 HydrophobicContact CG1-CD1 3.78Å
254F98.1Very high97.5Very high25 Ų2519.2 Ų19.211%0.1110%0.103CC..Hα-helixtrans-60.9-47.4174.5173.4-101.7000111.8A208 N211 A212 L215 Y250 M252 L256 F257 K258A208-F254 HydrophobicContact CB-CB 4.04Å; N211-F254 HydrophobicContact CB-CD2 4.26Å; N211-F254 HydrophobicContact CB-CE2 4.04Å; A212-F254 HydrophobicContact CB-CD2 4.04Å; A212-F254 HydrophobicContact CB-CE2 4.14Å; L215-F254 HydrophobicContact CD1-CE2 3.84Å; L215-F254 HydrophobicContact CD1-CZ 3.44Å; L215-F254 VanDerWaalsContact CD1-CZ 3.44Å; Y250-F254 HydrophobicContact CD1-CB 4.36Å; Y250-F254 HydrophobicContact CE1-CB 4.07Å; Y250-F254 HydrophobicContact CE1-CD2 4.4Å; Y250-F254 HydrophobicContact CE1-CG 4.17Å; Y250-F254 WeakPolarHBondContact O-CB 3.3Å; Y250-F254 PolarHBondContact O-N 3.35Å; M252-F254 PolarHBondContact O-N 3.04Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.47Å; F254-F257 PolarHBondContact O-N 3.25Å; F254-K258 HydrophobicContact CD1-CD 4.39Å; F254-K258 HydrophobicContact CE1-CD 3.73Å; F254-K258 HydrophobicContact CE1-CG 4.38Å; F254-K258 HydrophobicContact CE2-CD 4.45Å; F254-K258 HydrophobicContact CE2-CG 4.45Å; F254-K258 HydrophobicContact CZ-CD 3.77Å; F254-K258 HydrophobicContact CZ-CG 4.25Å; F254-K258 WeakPolarHBondContact O-CG 3.33Å; F254-K258 PolarHBondContact O-N 2.93Å
255E97.3Very high97.4Very high24 Ų2419.4 Ų19.411%0.11210%0.104CC..Hα-helixtrans-64.8-37.8176.6-70.8-60.8130.500112H251 M252 K258 N259 G334 S338H251-E255 WeakPolarHBondContact O-CG 3.29Å; H251-E255 PolarHBondContact O-N 2.93Å; H251-E255 VanDerWaalsContact O-N 3.1Å; M252-E255 PolarHBondContact O-N 3.47Å; E255-K258 WeakPolarHBondContact OE1-CE 3.29Å; E255-K258 IonicContact OE1-NZ 2.7Å; E255-K258 PolarHBondContact OE1-NZ 2.92Å; E255-K258 VanDerWaalsContact OE2-CE 3.28Å; E255-K258 WeakPolarHBondContact OE2-CE 3.13Å; E255-K258 IonicContact OE2-NZ 3.06Å; E255-K258 PolarHBondContact OE2-NZ 3.3Å; E255-N259 PolarHBondContact O-N 3.11Å; E255-N259 PolarHBondContact O-ND2 3.28Å; E255-G334 WeakPolarHBondContact OE2-CA 3.24Å; E255-S338 WeakPolarHBondContact CB-OG 3.12Å
256L98.2Very high97.2Very high6 Ų624.5 Ų24.53%0.03113%0.127CC..Hα-helixtrans-64.3-44.6174.5-67.4-176.3000112M252 V253 F254 N259 A260 V292 L335 L349 A361 I363M252-L256 WeakPolarHBondContact O-CG 3.42Å; M252-L256 PolarHBondContact O-N 2.83Å; M252-L256 VanDerWaalsContact O-N 3.11Å; V253-L256 PolarHBondContact O-N 3.16Å; F254-L256 VanDerWaalsContact C-N 3.34Å; F254-L256 PolarHBondContact O-N 3.47Å; L256-N259 PolarHBondContact O-N 2.91Å; L256-A260 WeakPolarHBondContact O-CB 3.36Å; L256-A260 PolarHBondContact O-N 3.12Å; L256-V292 HydrophobicContact CB-CB 4.46Å; L256-V292 HydrophobicContact CB-CG2 4.36Å; L256-V292 HydrophobicContact CD1-CB 4.49Å; L256-V292 HydrophobicContact CD1-CG2 4.23Å; L256-L335 HydrophobicContact CD2-CD2 3.72Å; L256-L349 HydrophobicContact CD1-CD1 4.46Å; L256-L349 HydrophobicContact CD2-CD1 4.3Å; L256-A361 HydrophobicContact CD1-CB 3.75Å; L256-A361 HydrophobicContact CD2-CB 3.68Å; L256-A361 HydrophobicContact CG-CB 4.24Å; L256-I363 HydrophobicContact CD1-CD1 3.67Å; L256-I363 HydrophobicContact CD1-CG1 3.91Å
257F98.5Very high97.2Very high0 Ų028 Ų280%015%0.145CC..Hα-helixtrans-62.8-43.3177.6-74.3-49.2000112.6I205 A208 F209 A212 L226 V253 F254 N259 A260 M261 V277 A279 V292I205-F257 HydrophobicContact CG2-CE2 3.89Å; I205-F257 HydrophobicContact CG2-CZ 3.72Å; A208-F257 HydrophobicContact CB-CD2 4.34Å; F209-F257 HydrophobicContact CB-CD2 3.92Å; F209-F257 HydrophobicContact CB-CE2 3.73Å; F209-F257 HydrophobicContact CB-CG 4.43Å; F209-F257 HydrophobicContact CB-CZ 4.1Å; F209-F257 AromaticContact CD2-CD1 3.71Å; F209-F257 HydrophobicContact CD2-CD1 3.71Å; F209-F257 HydrophobicContact CD2-CD2 4.31Å; F209-F257 AromaticContact CD2-CE1 3.75Å; F209-F257 HydrophobicContact CD2-CE1 3.75Å; F209-F257 HydrophobicContact CD2-CE2 4.35Å; F209-F257 HydrophobicContact CD2-CG 4.01Å; F209-F257 HydrophobicContact CD2-CZ 4.07Å; F209-F257 HydrophobicContact CE2-CD1 4.41Å; A212-F257 HydrophobicContact CB-CB 3.73Å; L226-F257 HydrophobicContact CD1-CE1 4.04Å; L226-F257 HydrophobicContact CD1-CZ 4.1Å; V253-F257 HydrophobicContact CB-CD2 4.36Å; V253-F257 HydrophobicContact CB-CE2 4.12Å; V253-F257 WeakPolarHBondContact O-CB 3.45Å; V253-F257 WeakPolarHBondContact O-CD2 3.42Å; V253-F257 WeakPolarHBondContact O-CG 3.35Å; V253-F257 PolarHBondContact O-N 2.75Å; F254-F257 PolarHBondContact O-N 3.25Å; F257-N259 VanDerWaalsContact C-N 3.28Å; F257-N259 PolarHBondContact O-N 3.44Å; F257-A260 PolarHBondContact O-N 3.15Å; F257-M261 VanDerWaalsContact O-CB 3.26Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 WeakPolarHBondContact O-CG 3.33Å; F257-M261 PolarHBondContact O-N 2.96Å; F257-V277 HydrophobicContact CD1-CG1 3.95Å; F257-V277 HydrophobicContact CE1-CG1 3.93Å; F257-A279 HydrophobicContact CE1-CB 4.45Å; F257-A279 HydrophobicContact CZ-CB 4.2Å; F257-V292 HydrophobicContact CD1-CG1 3.91Å; F257-V292 HydrophobicContact CE1-CG1 3.82Å; F257-V292 HydrophobicContact CE1-CG2 4.15Å; F257-V292 HydrophobicContact CZ-CG2 4.33Å
258K96.3Very high97.1Very high12 Ų1229 Ų295%0.05214%0.138CC..Hα-helixtrans-56.7-43174-73-168.9-60.21560112.2A212 L215 F254 E255 R262 L328A212-K258 HydrophobicContact CB-CG 4.12Å; L215-K258 HydrophobicContact CD1-CD 4.33Å; F254-K258 HydrophobicContact CD1-CD 4.39Å; F254-K258 HydrophobicContact CE1-CD 3.73Å; F254-K258 HydrophobicContact CE1-CG 4.38Å; F254-K258 HydrophobicContact CE2-CD 4.45Å; F254-K258 HydrophobicContact CE2-CG 4.45Å; F254-K258 HydrophobicContact CZ-CD 3.77Å; F254-K258 HydrophobicContact CZ-CG 4.25Å; F254-K258 WeakPolarHBondContact O-CG 3.33Å; F254-K258 PolarHBondContact O-N 2.93Å; E255-K258 WeakPolarHBondContact OE1-CE 3.29Å; E255-K258 IonicContact OE1-NZ 2.7Å; E255-K258 PolarHBondContact OE1-NZ 2.92Å; E255-K258 VanDerWaalsContact OE2-CE 3.28Å; E255-K258 WeakPolarHBondContact OE2-CE 3.13Å; E255-K258 IonicContact OE2-NZ 3.06Å; E255-K258 PolarHBondContact OE2-NZ 3.3Å; K258-R262 WeakPolarHBondContact O-CB 3.43Å; K258-R262 PolarHBondContact O-N 3.33Å; K258-L328 HydrophobicContact CB-CD1 4.04Å; K258-L328 HydrophobicContact CD-CD1 4.08Å; K258-L328 HydrophobicContact CG-CD1 3.85Å; K258-L328 PolarHBondContact NZ-O 3.01Å
259N96.4Very high96.7Very high53 Ų5330 Ų3028%0.28315%0.153SC..Hα-helixtrans-68.1-45.5179.7-69.4-39.3000111.8E255 L256 F257 R262 A263E255-N259 PolarHBondContact O-N 3.11Å; E255-N259 PolarHBondContact O-ND2 3.28Å; L256-N259 PolarHBondContact O-N 2.91Å; F257-N259 VanDerWaalsContact C-N 3.28Å; F257-N259 PolarHBondContact O-N 3.44Å; N259-R262 PolarHBondContact O-N 3.48Å; N259-A263 WeakPolarHBondContact O-CB 3.32Å; N259-A263 PolarHBondContact O-N 3.32Å
260A98Very high96Very high2 Ų238.2 Ų38.22%0.01720%0.196CC..Hα-helixtrans-61.2-47.5177.200000112.1L256 F257 A263 T264 V277 V292 D294L256-A260 WeakPolarHBondContact O-CB 3.36Å; L256-A260 PolarHBondContact O-N 3.12Å; F257-A260 PolarHBondContact O-N 3.15Å; A260-A263 PolarHBondContact O-N 3.14Å; A260-T264 WeakPolarHBondContact O-CB 3.3Å; A260-T264 PolarHBondContact O-N 2.8Å; A260-T264 PolarHBondContact O-OG1 3.46Å; A260-V277 HydrophobicContact CB-CG1 4.11Å; A260-V277 HydrophobicContact CB-CG2 4.19Å; A260-V292 HydrophobicContact CB-CG1 4.42Å; A260-D294 HydrophobicContact CB-CB 3.79Å
261M97.4Very high95.4Very high0 Ų036.9 Ų36.90%020%0.198CC..Hα-helixtrans-60.7-52.1175.8-72.6174.3175.300110.4F209 A212 R213 C216 P224 F257 A263 T264 M265F209-M261 HydrophobicContact CD1-CE 4.47Å; F209-M261 HydrophobicContact CD2-CE 3.57Å; F209-M261 HydrophobicContact CE1-CE 4.17Å; F209-M261 HydrophobicContact CE2-CE 3.22Å; F209-M261 HydrophobicContact CG-CE 4.2Å; F209-M261 HydrophobicContact CZ-CE 3.55Å; A212-M261 VanDerWaalsContact C-SD 3.57Å; A212-M261 HydrophobicContact CB-CE 4.18Å; A212-M261 HydrophobicContact CB-SD 3.84Å; R213-M261 HydrophobicContact CB-CE 3.98Å; R213-M261 HydrophobicContact CG-CE 4.5Å; C216-M261 HydrophobicContact CB-CB 4.37Å; C216-M261 HydrophobicContact CB-SD 3.87Å; P224-M261 HydrophobicContact CG-CB 4.38Å; P224-M261 HydrophobicContact CG-CG 3.81Å; F257-M261 VanDerWaalsContact O-CB 3.26Å; F257-M261 WeakPolarHBondContact O-CB 3.34Å; F257-M261 WeakPolarHBondContact O-CG 3.33Å; F257-M261 PolarHBondContact O-N 2.96Å; M261-A263 PolarHBondContact O-N 3.31Å; M261-T264 PolarHBondContact O-N 2.93Å; M261-M265 WeakPolarHBondContact O-CB 3.49Å; M261-M265 VanDerWaalsContact O-CG 3.25Å; M261-M265 WeakPolarHBondContact O-CG 3.45Å; M261-M265 PolarHBondContact O-N 2.92Å
262R95.1Very high94.7Very high32 Ų3243.2 Ų43.212%0.12123%0.23CC..Hα-helixtrans-54.5-50.1178.3176.1172.8179.4-135.7-10.9112.2K258 N259 T264 M265 E266 L328K258-R262 WeakPolarHBondContact O-CB 3.43Å; K258-R262 PolarHBondContact O-N 3.33Å; N259-R262 PolarHBondContact O-N 3.48Å; R262-T264 VanDerWaalsContact C-N 3.31Å; R262-T264 PolarHBondContact O-N 3.18Å; R262-M265 PolarHBondContact O-N 3.14Å; R262-E266 HydrophobicContact CG-CG 4.29Å; R262-E266 WeakPolarHBondContact CG-OE1 3.18Å; R262-E266 IonicContact CZ-OE1 3.47Å; R262-E266 IonicContact NE-OE1 2.76Å; R262-E266 PolarHBondContact NE-OE1 3.1Å; R262-E266 IonicContact NE-OE2 3.57Å; R262-E266 IonicContact NH2-OE1 2.65Å; R262-E266 PolarHBondContact NH2-OE1 2.91Å; R262-E266 IonicContact NH2-OE2 3.8Å; R262-E266 VanDerWaalsContact O-CB 3.32Å; R262-E266 WeakPolarHBondContact O-CB 3.37Å; R262-E266 VanDerWaalsContact O-CG 3.3Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.05Å; R262-L328 HydrophobicContact CB-CD2 4.05Å; R262-L328 HydrophobicContact CG-CD2 4.46Å
263A96.4Very high94.2Very high30 Ų3051.3 Ų51.325%0.24827%0.268CS..Hα-helixtrans-62-40.8-179.600000111.8N259 A260 M261 L267N259-A263 WeakPolarHBondContact O-CB 3.32Å; N259-A263 PolarHBondContact O-N 3.32Å; A260-A263 PolarHBondContact O-N 3.14Å; M261-A263 PolarHBondContact O-N 3.31Å; A263-L267 WeakPolarHBondContact O-CB 3.2Å; A263-L267 PolarHBondContact O-N 3.16Å; A263-L267 VanDerWaalsContact O-N 3.09Å
264T97.4Very high94Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-65.9-50.2177-55.70000111.3P224 A260 M261 R262 E266 L267 Y268 P275P224-T264 HydrophobicContact CB-CG2 4.46Å; A260-T264 WeakPolarHBondContact O-CB 3.3Å; A260-T264 PolarHBondContact O-N 2.8Å; A260-T264 PolarHBondContact O-OG1 3.46Å; M261-T264 PolarHBondContact O-N 2.93Å; R262-T264 VanDerWaalsContact C-N 3.31Å; R262-T264 PolarHBondContact O-N 3.18Å; T264-E266 PolarHBondContact O-N 3.28Å; T264-L267 PolarHBondContact O-N 3.39Å; T264-Y268 HydrophobicContact CG2-CD2 3.92Å; T264-Y268 HydrophobicContact CG2-CE2 4.25Å; T264-Y268 VanDerWaalsContact O-CD2 3.31Å; T264-Y268 WeakPolarHBondContact O-CD2 3.34Å; T264-Y268 PolarHBondContact O-N 2.95Å; T264-P275 HydrophobicContact CG2-CG 3.81Å
265M95.2Very high94Very high6 Ų652.6 Ų52.63%0.0327%0.274CS..Hα-helixtrans-62.4-42.4179.8-63.7-49.8-68.300111.9C216 Y220 N222 M261 R262 L267 G269 Y274C216-M265 VanDerWaalsContact SG-CG 3.56Å; Y220-M265 HydrophobicContact CD1-CB 3.97Å; Y220-M265 HydrophobicContact CD2-CB 3.87Å; Y220-M265 HydrophobicContact CD2-CG 3.86Å; Y220-M265 HydrophobicContact CE1-CB 4.14Å; Y220-M265 HydrophobicContact CE2-CB 4.02Å; Y220-M265 HydrophobicContact CE2-CG 4.32Å; Y220-M265 HydrophobicContact CG-CB 3.84Å; Y220-M265 HydrophobicContact CG-CE 4.33Å; Y220-M265 HydrophobicContact CG-CG 4.05Å; N222-M265 HydrophobicContact CB-CE 4.04Å; N222-M265 WeakPolarHBondContact O-CE 3.36Å; M261-M265 WeakPolarHBondContact O-CB 3.49Å; M261-M265 VanDerWaalsContact O-CG 3.25Å; M261-M265 WeakPolarHBondContact O-CG 3.45Å; M261-M265 PolarHBondContact O-N 2.92Å; R262-M265 PolarHBondContact O-N 3.14Å; M265-L267 VanDerWaalsContact C-N 3.35Å; M265-L267 PolarHBondContact O-N 3.11Å; M265-G269 PolarHBondContact O-N 3.39Å; M265-Y274 HydrophobicContact CE-CD1 4.18Å; M265-Y274 HydrophobicContact CE-CD2 4.36Å; M265-Y274 HydrophobicContact CE-CE1 3.57Å; M265-Y274 HydrophobicContact CE-CE2 3.83Å; M265-Y274 HydrophobicContact SD-CD1 3.67Å; M265-Y274 HydrophobicContact SD-CD2 4.21Å; M265-Y274 HydrophobicContact SD-CE1 3.68Å; M265-Y274 HydrophobicContact SD-CE2 4.27Å; M265-Y274 HydrophobicContact SD-CG 3.95Å
266E94.5Very high94.1Very high107 Ų10753 Ų5350%0.528%0.279SS..Hα-helixtrans-66.6-33.7178.4-73.1179.6-18000112.6Y220 R262 T264Y220-E266 HydrophobicContact CE1-CG 4.36Å; Y220-E266 PolarHBondContact OH-OE1 2.96Å; R262-E266 HydrophobicContact CG-CG 4.29Å; R262-E266 WeakPolarHBondContact CG-OE1 3.18Å; R262-E266 IonicContact CZ-OE1 3.47Å; R262-E266 IonicContact NE-OE1 2.76Å; R262-E266 PolarHBondContact NE-OE1 3.1Å; R262-E266 IonicContact NE-OE2 3.57Å; R262-E266 IonicContact NH2-OE1 2.65Å; R262-E266 PolarHBondContact NH2-OE1 2.91Å; R262-E266 IonicContact NH2-OE2 3.8Å; R262-E266 VanDerWaalsContact O-CB 3.32Å; R262-E266 WeakPolarHBondContact O-CB 3.37Å; R262-E266 VanDerWaalsContact O-CG 3.3Å; R262-E266 WeakPolarHBondContact O-CG 3.29Å; R262-E266 PolarHBondContact O-N 3.05Å; T264-E266 PolarHBondContact O-N 3.28Å
267L95.9Very high94.1Very high95 Ų9552.8 Ų52.850%0.49728%0.277SS..Hα-helixtrans-75.2-45.7179.1177.964.5000112.8A263 T264 M265 R295A263-L267 WeakPolarHBondContact O-CB 3.2Å; A263-L267 PolarHBondContact O-N 3.16Å; A263-L267 VanDerWaalsContact O-N 3.09Å; T264-L267 PolarHBondContact O-N 3.39Å; M265-L267 VanDerWaalsContact C-N 3.35Å; M265-L267 PolarHBondContact O-N 3.11Å; L267-R295 WeakPolarHBondContact CD2-O 3.49Å
268Y94.4Very high94.1Very high92 Ų9255.2 Ų55.236%0.36129%0.289SS..Hα-helixtrans-87-11.7-173.3-72.4-86.3000113.2T264 D270 A271 Y274 P275 R295T264-Y268 HydrophobicContact CG2-CD2 3.92Å; T264-Y268 HydrophobicContact CG2-CE2 4.25Å; T264-Y268 VanDerWaalsContact O-CD2 3.31Å; T264-Y268 WeakPolarHBondContact O-CD2 3.34Å; T264-Y268 PolarHBondContact O-N 2.95Å; Y268-D270 PolarHBondContact O-N 2.99Å; Y268-A271 WeakPolarHBondContact O-CB 3.49Å; Y268-A271 PolarHBondContact O-N 3.5Å; Y268-Y274 HydrophobicContact CG-CD1 4.47Å; Y268-P275 HydrophobicContact CD2-CG 4Å; Y268-P275 HydrophobicContact CE1-CG 4.41Å; Y268-P275 HydrophobicContact CE2-CG 3.33Å; Y268-R295 VanDerWaalsContact CE2-O 3.32Å; Y268-R295 WeakPolarHBondContact CE2-O 3.25Å
269G89.9Confident94.2Very high36 Ų3654.6 Ų54.637%0.37129%0.286SS..THydrogen-bonded Turntrans57.5-132.7173.600000111.8M265 A271 Y274M265-G269 PolarHBondContact O-N 3.39Å; G269-A271 PolarHBondContact O-N 3.45Å; G269-Y274 WeakPolarHBondContact O-CE1 3.37Å; G269-Y274 PolarHBondContact O-OH 2.78Å
270D85.3Confident94.3Very high171 Ų17154.7 Ų54.791%0.91429%0.285SS*.THydrogen-bonded Turntrans-80.428.7-179.8-59.7-40.1000113.7Y268Y268-D270 PolarHBondContact O-N 2.99Å
271A85.8Confident94.3Very high32 Ų3254.6 Ų54.626%0.26428%0.284SS..  trans-59146.1175.800000111.3Y268 G269 Y274Y268-A271 WeakPolarHBondContact O-CB 3.49Å; Y268-A271 PolarHBondContact O-N 3.5Å; G269-A271 PolarHBondContact O-N 3.45Å; A271-Y274 HydrophobicContact CB-CE1 4.25Å; A271-Y274 WeakPolarHBondContact O-CE2 3.37Å; A271-Y274 VanDerWaalsContact O-CZ 3.27Å; A271-Y274 PolarHBondContact O-OH 2.93Å
272M80.7Confident94.3Very high185 Ų18556.3 Ų56.391%0.91130%0.298SS*.SBendtrans-75-28.8175.3-74.7-170.3160.600112.6
273E89.1Confident94.4Very high170 Ų17055.4 Ų55.479%0.79430%0.296SS*.SBendtrans-131.7135.7178.5-68.4-175174.500110.1
274Y95.3Very high94.4Very high36 Ų3655.1 Ų55.114%0.14130%0.296CS..  trans-109.4142.5178-58.6-88.6000109.3N222 M265 Y268 G269 A271N222-Y274 HydrophobicContact CB-CE2 4.11Å; M265-Y274 HydrophobicContact CE-CD1 4.18Å; M265-Y274 HydrophobicContact CE-CD2 4.36Å; M265-Y274 HydrophobicContact CE-CE1 3.57Å; M265-Y274 HydrophobicContact CE-CE2 3.83Å; M265-Y274 HydrophobicContact SD-CD1 3.67Å; M265-Y274 HydrophobicContact SD-CD2 4.21Å; M265-Y274 HydrophobicContact SD-CE1 3.68Å; M265-Y274 HydrophobicContact SD-CE2 4.27Å; M265-Y274 HydrophobicContact SD-CG 3.95Å; Y268-Y274 HydrophobicContact CG-CD1 4.47Å; G269-Y274 WeakPolarHBondContact O-CE1 3.37Å; G269-Y274 PolarHBondContact O-OH 2.78Å; A271-Y274 HydrophobicContact CB-CE1 4.25Å; A271-Y274 WeakPolarHBondContact O-CE2 3.37Å; A271-Y274 VanDerWaalsContact O-CZ 3.27Å; A271-Y274 PolarHBondContact O-OH 2.93Å
275P97.4Very high94.2Very high16 Ų1659.2 Ų59.210%0.10432%0.324CS..PPolyproline II helixtrans-60.4138.2171.827-34000110P224 T264 Y268 R295P224-P275 WeakPolarHBondContact CB-O 3.46Å; T264-P275 HydrophobicContact CG2-CG 3.81Å; Y268-P275 HydrophobicContact CD2-CG 4Å; Y268-P275 HydrophobicContact CE1-CG 4.41Å; Y268-P275 HydrophobicContact CE2-CG 3.33Å; P275-R295 HydrophobicContact CB-CB 3.96Å; P275-R295 HydrophobicContact CB-CG 4.15Å; P275-R295 HydrophobicContact CG-CB 3.74Å; P275-R295 HydrophobicContact CG-CG 4.47Å
276P98.1Very high94.2Very high33 Ų3364.3 Ų64.321%0.21435%0.348CS..PPolyproline II helixtrans-66.9152.3-179.627.8-34.3000111.1E225 I227 H278E225-P276 HydrophobicContact CB-CB 4.32Å; E225-P276 CarbonylContact O-C 3.57Å; E225-P276 VanDerWaalsContact O-CA 3.3Å; E225-P276 WeakPolarHBondContact O-CA 3.36Å; E225-P276 WeakPolarHBondContact O-CB 3.36Å; I227-P276 HydrophobicContact CD1-CB 3.84Å; I227-P276 HydrophobicContact CD1-CG 3.47Å; I227-P276 VanDerWaalsContact CD1-CG 3.47Å; I227-P276 HydrophobicContact CG1-CB 3.95Å; I227-P276 HydrophobicContact CG1-CG 4.16Å; P276-H278 PolarHBondContact O-CD2 2.94Å
277V98.6Very high94.2Very high0 Ų061.7 Ų61.70%034%0.338CS..EExtended strand (participates in β ladder)trans-83.3124.9166.7-178.60000107.9F209 P224 E225 I227 F257 A260 V292F209-V277 HydrophobicContact CE2-CB 4.43Å; P224-V277 HydrophobicContact CB-CG2 4.16Å; P224-V277 HydrophobicContact CG-CG2 3.76Å; E225-V277 PolarHBondContact O-N 2.82Å; I227-V277 PolarHBondContact N-O 3.32Å; F257-V277 HydrophobicContact CD1-CG1 3.95Å; F257-V277 HydrophobicContact CE1-CG1 3.93Å; A260-V277 HydrophobicContact CB-CG1 4.11Å; A260-V277 HydrophobicContact CB-CG2 4.19Å; V277-V292 HydrophobicContact CG1-CG1 3.7Å
278H98.8Very high94.3Very high51 Ų5157.2 Ų57.224%0.23631%0.314CS..EExtended strand (participates in β ladder)trans-94.9126.7179.2-71.1-103.2000110.3I227 P276 V292 S293I227-H278 CarbonylContact O-C 3.52Å; I227-H278 WeakPolarHBondContact O-CA 3.38Å; P276-H278 PolarHBondContact O-CD2 2.94Å; H278-V292 CarbonylContact O-C 3.59Å; H278-V292 WeakPolarHBondContact O-CA 3.5Å; H278-S293 PolarHBondContact N-O 3.18Å; H278-S293 PolarHBondContact O-N 3.32Å
279A98.7Very high94.5Very high0 Ų054.4 Ų54.40%031%0.306CS..EExtended strand (participates in β ladder)trans-114126.6169.900000109.6I205 L226 I227 L228 E229 F257 K291I205-A279 HydrophobicContact CG2-CB 4.19Å; L226-A279 HydrophobicContact CD1-CB 3.84Å; I227-A279 PolarHBondContact O-N 3.33Å; L228-A279 VanDerWaalsContact CA-O 3.31Å; L228-A279 WeakPolarHBondContact CA-O 3.14Å; L228-A279 HydrophobicContact CD1-CB 3.86Å; E229-A279 PolarHBondContact N-O 2.89Å; F257-A279 HydrophobicContact CE1-CB 4.45Å; F257-A279 HydrophobicContact CZ-CB 4.2Å; A279-K291 CarbonylContact C-O 3.59Å; A279-K291 VanDerWaalsContact CA-O 3.27Å; A279-K291 WeakPolarHBondContact CA-O 3.28Å
280Q98.4Very high94.9Very high55 Ų5552.7 Ų52.726%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-120.7129.8176.6-61.9-175.6-5300109.3E229 F231 V290 K291E229-Q280 HydrophobicContact CB-CG 4.41Å; E229-Q280 WeakPolarHBondContact O-CA 3.2Å; E229-Q280 PolarHBondContact OE2-NE2 3.22Å; F231-Q280 HydrophobicContact CE2-CB 4.44Å; Q280-V290 CarbonylContact O-C 3.18Å; Q280-V290 WeakPolarHBondContact O-CA 3.26Å; Q280-K291 HydrophobicContact CB-CB 4.48Å; Q280-K291 PolarHBondContact N-O 3.33Å; Q280-K291 PolarHBondContact O-N 3.39Å
281V98.2Very high95.6Very high0 Ų047.1 Ų47.10%026%0.256CS..EExtended strand (participates in β ladder)trans-115.5126177.7-176.40000108.8V201 I205 L228 E229 E230 F231 V240 L288 T289 V290V201-V281 HydrophobicContact CB-CG1 4.32Å; V201-V281 HydrophobicContact CG1-CG1 3.69Å; V201-V281 HydrophobicContact CG1-CG2 4.13Å; I205-V281 HydrophobicContact CD1-CG2 3.3Å; L228-V281 HydrophobicContact CD1-CG2 4.05Å; E229-V281 PolarHBondContact O-N 2.9Å; E230-V281 CarbonylContact C-O 3.51Å; E230-V281 WeakPolarHBondContact CA-O 3.28Å; E230-V281 HydrophobicContact CG-CB 4.25Å; F231-V281 PolarHBondContact N-O 2.89Å; V240-V281 HydrophobicContact CB-CG1 4.08Å; V240-V281 HydrophobicContact CG1-CG1 3.82Å; V240-V281 HydrophobicContact CG2-CG1 4.18Å; V281-L288 HydrophobicContact CG1-CD1 3.83Å; V281-T289 CarbonylContact C-O 3.54Å; V281-T289 WeakPolarHBondContact CA-O 3.3Å; V281-V290 HydrophobicContact CG2-CG2 4.39Å
282A97.5Very high96.2Very high36 Ų3645.7 Ų45.730%0.29825%0.245SC..EExtended strand (participates in β ladder)trans-126.8126.4176.200000110.5F231 L288 T289F231-A282 HydrophobicContact CB-CB 4.31Å; F231-A282 CarbonylContact O-C 3.36Å; F231-A282 WeakPolarHBondContact O-CA 3.39Å; A282-L288 WeakPolarHBondContact O-CA 3.19Å; A282-T289 PolarHBondContact N-O 2.93Å; A282-T289 PolarHBondContact O-N 3.49Å
283L97.8Very high97.1Very high13 Ų1337.6 Ų37.67%0.06821%0.206CC..EExtended strand (participates in β ladder)trans-107.8108.7172.2-17964000109.8F231 V233 K234 V240 L288 A367F231-L283 PolarHBondContact O-N 2.95Å; V233-L283 WeakPolarHBondContact CB-O 3.49Å; V233-L283 PolarHBondContact N-O 3.12Å; V233-L283 VanDerWaalsContact N-O 3.11Å; K234-L283 HydrophobicContact CD-CD2 4.21Å; K234-L283 HydrophobicContact CD-CG 4.23Å; V240-L283 HydrophobicContact CG1-CB 3.81Å; V240-L283 HydrophobicContact CG1-CD2 4.23Å; V240-L283 HydrophobicContact CG1-CG 4.49Å; V240-L283 HydrophobicContact CG2-CB 4.18Å; L283-L288 HydrophobicContact CB-CD1 4.38Å; L283-L288 HydrophobicContact CD1-CB 4.1Å; L283-L288 HydrophobicContact CD1-CD1 4.3Å; L283-A367 HydrophobicContact CD1-CB 3.86Å
284G95.4Very high97.5Very high24 Ų2430.4 Ų30.425%0.24717%0.173CC..  trans-96.2-166.6173.200000113.1K234 D287K234-G284 WeakPolarHBondContact CE-O 3.08Å; K234-G284 PolarHBondContact NZ-O 2.79Å; G284-D287 PolarHBondContact N-O 3.09Å
285S93.1Very high97.6Very high86 Ų8633.5 Ų33.560%0.60118%0.184SC*.SBendtrans-63.1-51.3174.648.10000111.9K234K234-S285 PolarHBondContact NZ-O 3.13Å
286E94.5Very high97.7Very high112 Ų11233.3 Ų33.352%0.52319%0.185SC..SBendtrans-101.4-36.9-172.7-65.5179.4-160.800113.2A367E286-A367 VanDerWaalsContact O-CB 3.29Å; E286-A367 WeakPolarHBondContact O-CB 3.46Å; E286-A367 PolarHBondContact O-N 2.72Å
287D95.8Very high97.6Very high53 Ų5332.5 Ų32.528%0.28318%0.183SC..EExtended strand (participates in β ladder)trans-120.3139.7-169.9-62.6-37.9000112.3G284 I365 R366G284-D287 PolarHBondContact N-O 3.09Å; D287-I365 WeakPolarHBondContact CA-O 3.47Å; D287-R366 IonicContact OD1-NH1 3.95Å; D287-R366 PolarHBondContact OD1-NH1 2.67Å
288L98Very high97.5Very high0 Ų033.5 Ų33.50%019%0.193CC..EExtended strand (participates in β ladder)trans-94.8123.1154.9170.969.4000107.6V201 V240 V242 V281 A282 L283 I365V201-L288 HydrophobicContact CG1-CD2 4.48Å; V201-L288 HydrophobicContact CG2-CD1 4.21Å; V201-L288 HydrophobicContact CG2-CD2 3.67Å; V240-L288 HydrophobicContact CG1-CD1 3.53Å; V242-L288 HydrophobicContact CB-CD2 4.01Å; V242-L288 HydrophobicContact CG1-CD2 3.58Å; V242-L288 HydrophobicContact CG2-CD2 4.32Å; V281-L288 HydrophobicContact CG1-CD1 3.83Å; A282-L288 WeakPolarHBondContact O-CA 3.19Å; L283-L288 HydrophobicContact CB-CD1 4.38Å; L283-L288 HydrophobicContact CD1-CB 4.1Å; L283-L288 HydrophobicContact CD1-CD1 4.3Å; L288-I365 HydrophobicContact CB-CB 4.18Å; L288-I365 HydrophobicContact CD2-CB 4.3Å; L288-I365 HydrophobicContact CD2-CD1 4.2Å; L288-I365 HydrophobicContact CD2-CG2 4.37Å; L288-I365 PolarHBondContact N-O 3.37Å; L288-I365 PolarHBondContact O-N 2.99Å
289T98.5Very high97.5Very high33 Ų3332.6 Ų32.620%0.20219%0.191CC..EExtended strand (participates in β ladder)trans-115.2132178.9-55.40000110.1V281 A282 V362 I363 Y364V281-T289 CarbonylContact C-O 3.54Å; V281-T289 WeakPolarHBondContact CA-O 3.3Å; A282-T289 PolarHBondContact N-O 2.93Å; A282-T289 PolarHBondContact O-N 3.49Å; T289-V362 HydrophobicContact CG2-CG1 3.42Å; T289-V362 VanDerWaalsContact CG2-CG1 3.42Å; T289-I363 WeakPolarHBondContact CA-O 3.46Å; T289-Y364 HydrophobicContact CG2-CD1 4.31Å; T289-Y364 HydrophobicContact CG2-CE1 4.1Å
290V98.8Very high97.4Very high0 Ų033.7 Ų33.70%020%0.198CC..EExtended strand (participates in β ladder)trans-119.6117.6169.9-178.70000108V201 I205 V253 Q280 V281 V362 I363V201-V290 HydrophobicContact CG1-CG2 4.03Å; I205-V290 HydrophobicContact CD1-CG1 3.7Å; I205-V290 HydrophobicContact CD1-CG2 4.23Å; I205-V290 HydrophobicContact CG1-CG1 4.47Å; V253-V290 HydrophobicContact CG1-CG1 4.06Å; Q280-V290 CarbonylContact O-C 3.18Å; Q280-V290 WeakPolarHBondContact O-CA 3.26Å; V281-V290 HydrophobicContact CG2-CG2 4.39Å; V290-V362 WeakPolarHBondContact O-CA 3.45Å; V290-I363 HydrophobicContact CB-CB 4.33Å; V290-I363 PolarHBondContact N-O 3.22Å; V290-I363 PolarHBondContact O-N 2.63Å
291K98.8Very high97.2Very high54 Ų5438.2 Ų38.224%0.23522%0.223CC..EExtended strand (participates in β ladder)trans-110.1124.6176-176.3176.972.5162.70110.2A279 Q280 D360 A361 V362A279-K291 CarbonylContact C-O 3.59Å; A279-K291 VanDerWaalsContact CA-O 3.27Å; A279-K291 WeakPolarHBondContact CA-O 3.28Å; Q280-K291 HydrophobicContact CB-CB 4.48Å; Q280-K291 PolarHBondContact N-O 3.33Å; Q280-K291 PolarHBondContact O-N 3.39Å; K291-D360 HydrophobicContact CD-CB 4.3Å; K291-D360 HydrophobicContact CG-CB 4.5Å; K291-D360 IonicContact NZ-OD2 3.39Å; K291-A361 CarbonylContact C-O 3.47Å; K291-A361 WeakPolarHBondContact CA-O 3.34Å; K291-V362 HydrophobicContact CB-CG2 4.4Å; K291-V362 HydrophobicContact CD-CG2 4.23Å; K291-V362 HydrophobicContact CG-CG2 3.98Å
292V98.8Very high97Very high3 Ų347 Ų472%0.01826%0.257CS..EExtended strand (participates in β ladder)trans-108.7122.8171.9-179.30000108L256 F257 A260 V277 H278 A361L256-V292 HydrophobicContact CB-CB 4.46Å; L256-V292 HydrophobicContact CB-CG2 4.36Å; L256-V292 HydrophobicContact CD1-CB 4.49Å; L256-V292 HydrophobicContact CD1-CG2 4.23Å; F257-V292 HydrophobicContact CD1-CG1 3.91Å; F257-V292 HydrophobicContact CE1-CG1 3.82Å; F257-V292 HydrophobicContact CE1-CG2 4.15Å; F257-V292 HydrophobicContact CZ-CG2 4.33Å; A260-V292 HydrophobicContact CB-CG1 4.42Å; V277-V292 HydrophobicContact CG1-CG1 3.7Å; H278-V292 CarbonylContact O-C 3.59Å; H278-V292 WeakPolarHBondContact O-CA 3.5Å; V292-A361 PolarHBondContact N-O 3.05Å; V292-A361 PolarHBondContact O-N 3.3Å
293S98.8Very high96.8Very high15 Ų1548.4 Ų48.411%0.10526%0.256CS..EExtended strand (participates in β ladder)trans-124.1129.8-174.7-37.40000109.7H278 T359 D360H278-S293 PolarHBondContact N-O 3.18Å; H278-S293 PolarHBondContact O-N 3.32Å; S293-T359 WeakPolarHBondContact CA-O 3.46Å; S293-D360 VanDerWaalsContact CB-OD1 3.24Å; S293-D360 WeakPolarHBondContact CB-OD1 3.37Å; S293-D360 PolarHBondContact OG-OD1 3.31Å
294D98.6Very high96.6Very high18 Ų1848.6 Ų48.610%0.09626%0.257CS..  trans-118.5169177.169.662.2000112.3A260 G296 G358 T359A260-D294 HydrophobicContact CB-CB 3.79Å; D294-G296 WeakPolarHBondContact OD1-CA 3.48Å; D294-G296 PolarHBondContact OD1-N 3.35Å; D294-G358 WeakPolarHBondContact O-CA 3.33Å; D294-T359 PolarHBondContact N-O 3.05Å; D294-T359 PolarHBondContact O-N 3.28Å; D294-T359 PolarHBondContact OD1-N 3.02Å; D294-T359 VanDerWaalsContact OD1-N 3.16Å
295R98.3Very high96.4Very high101 Ų10153.7 Ų53.738%0.38128%0.279SS..  trans-114.535.6168.3-61-170-175.7167.70.8111.3L267 Y268 P275 G297 Y357L267-R295 WeakPolarHBondContact CD2-O 3.49Å; Y268-R295 VanDerWaalsContact CE2-O 3.32Å; Y268-R295 WeakPolarHBondContact CE2-O 3.25Å; P275-R295 HydrophobicContact CB-CB 3.96Å; P275-R295 HydrophobicContact CB-CG 4.15Å; P275-R295 HydrophobicContact CG-CB 3.74Å; P275-R295 HydrophobicContact CG-CG 4.47Å; R295-G297 PolarHBondContact O-N 2.81Å; R295-G297 VanDerWaalsContact O-N 3.14Å; R295-Y357 CarbonylContact C-O 3.59Å; R295-Y357 VanDerWaalsContact C-O 3.25Å; R295-Y357 WeakPolarHBondContact CA-O 3.49Å
296G97.6Very high96.3Very high12 Ų1255.7 Ų55.712%0.12427%0.273CS..SBendtrans-80.924-176.300000114.6D294 G298D294-G296 WeakPolarHBondContact OD1-CA 3.48Å; D294-G296 PolarHBondContact OD1-N 3.35Å; G296-G298 VanDerWaalsContact C-N 3.27Å; G296-G298 PolarHBondContact O-N 3.3Å
297G96.8Very high96.3Very high16 Ų1651.9 Ų51.917%0.16526%0.256CS..  trans82.9-5.8172.900000115.5R295 G356 Y357R295-G297 PolarHBondContact O-N 2.81Å; R295-G297 VanDerWaalsContact O-N 3.14Å; G297-G356 WeakPolarHBondContact O-CA 3.06Å; G297-G356 PolarHBondContact O-N 2.74Å; G297-Y357 PolarHBondContact N-O 3.19Å; G297-Y357 VanDerWaalsContact N-O 3.15Å; G297-Y357 PolarHBondContact O-N 2.94Å
298G97.4Very high96.2Very high21 Ų2150.2 Ų50.222%0.21625%0.246CC..  trans69.4-174.7171.600000115.4G296 S353G296-G298 VanDerWaalsContact C-N 3.27Å; G296-G298 PolarHBondContact O-N 3.3Å; G298-S353 WeakPolarHBondContact CA-OG 3.48Å
299V97.1Very high95.8Very high33 Ų3352 Ų5220%0.226%0.257CS..  trans-138.2130.9-172.8-1790000109.4L301 K303 I304 L307 S353V299-L301 PolarHBondContact O-N 2.62Å; V299-K303 HydrophobicContact CG1-CB 3.75Å; V299-I304 HydrophobicContact CB-CD1 3.88Å; V299-I304 HydrophobicContact CG1-CD1 3.97Å; V299-L307 HydrophobicContact CG1-CD1 4.27Å; V299-L307 HydrophobicContact CG2-CD1 4.36Å; V299-S353 PolarHBondContact N-OG 3.44Å
300P97Very high95.4Very high22 Ų2250.7 Ų50.714%0.14325%0.249CC..  trans-55.9137.9174.6-8.87.6000111.7R302 K303 E355P300-R302 PolarHBondContact O-N 2.8Å; P300-R302 VanDerWaalsContact O-N 3.08Å; P300-K303 HydrophobicContact CG-CD 4.16Å; P300-K303 PolarHBondContact O-N 2.97Å; P300-E355 WeakPolarHBondContact CA-OE2 3.48Å; P300-E355 WeakPolarHBondContact CB-OE2 3.36Å; P300-E355 HydrophobicContact CG-CG 4.39Å; P300-E355 WeakPolarHBondContact CG-OE1 3.43Å
301L95.1Very high94.5Very high150 Ų15053.3 Ų53.379%0.78527%0.265SS*.Hα-helixtrans-49.6-42.5-176.6-177.861.4000113.2V299 K303 I304V299-L301 PolarHBondContact O-N 2.62Å; L301-K303 PolarHBondContact O-N 2.88Å; L301-I304 HydrophobicContact CD1-CG1 4.45Å; L301-I304 PolarHBondContact O-N 3.17Å; L301-I304 VanDerWaalsContact O-N 3.08Å
302R93.7Very high93.6Very high185 Ų18553 Ų5370%0.69826%0.263SS*.Hα-helixtrans-49.9-27.6174.8165.4177.26997.1-8.1114.7P300P300-R302 PolarHBondContact O-N 2.8Å; P300-R302 VanDerWaalsContact O-N 3.08Å
303K94Very high92.4Very high66 Ų6655.4 Ų55.429%0.28728%0.279SS..Hα-helixtrans-98.6-12.9-175.5-67.8-176.9-179.2174.20113.2V299 P300 L301 D305 R306 L307V299-K303 HydrophobicContact CG1-CB 3.75Å; P300-K303 HydrophobicContact CG-CD 4.16Å; P300-K303 PolarHBondContact O-N 2.97Å; L301-K303 PolarHBondContact O-N 2.88Å; K303-D305 PolarHBondContact O-N 3.44Å; K303-R306 WeakPolarHBondContact O-CA 3.09Å; K303-R306 WeakPolarHBondContact O-CB 3.4Å; K303-R306 PolarHBondContact O-N 3.42Å; K303-L307 PolarHBondContact O-N 3.13Å
304I93.3Very high90.6Very high17 Ų1759.3 Ų59.39%0.08730%0.302CS..Hα-helixtrans-58-49.9-172.7-66-66.2000111.8V299 L301 R306 L307 L351V299-I304 HydrophobicContact CB-CD1 3.88Å; V299-I304 HydrophobicContact CG1-CD1 3.97Å; L301-I304 HydrophobicContact CD1-CG1 4.45Å; L301-I304 PolarHBondContact O-N 3.17Å; L301-I304 VanDerWaalsContact O-N 3.08Å; I304-R306 PolarHBondContact O-N 3.15Å; I304-L307 HydrophobicContact CD1-CD1 4.23Å; I304-L307 VanDerWaalsContact O-CB 3.3Å; I304-L307 WeakPolarHBondContact O-CB 3.43Å; I304-L307 PolarHBondContact O-N 3.36Å; I304-L307 VanDerWaalsContact O-N 3.07Å; I304-L351 HydrophobicContact CG2-CB 4.42Å
305D91.3Very high89.1Confident131 Ų13159.2 Ų59.270%0.70130%0.304SS*.G310 helixtrans-63.7-30179.3-66.7-33.6000112.5K303 L307 F308K303-D305 PolarHBondContact O-N 3.44Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 2.95Å; D305-F308 PolarHBondContact O-N 3.22Å
306R90.9Very high87.3Confident127 Ų12759.7 Ų59.748%0.47932%0.321SS..G310 helixtrans-69.7-24.3178.2-56.1-176.273.5179.34.4112.3K303 I304 F308 T309 Y312K303-R306 WeakPolarHBondContact O-CA 3.09Å; K303-R306 WeakPolarHBondContact O-CB 3.4Å; K303-R306 PolarHBondContact O-N 3.42Å; I304-R306 PolarHBondContact O-N 3.15Å; R306-F308 PolarHBondContact O-N 3.39Å; R306-T309 VanDerWaalsContact O-CB 3.32Å; R306-T309 WeakPolarHBondContact O-CB 3.34Å; R306-T309 PolarHBondContact O-N 3.06Å; R306-T309 PolarHBondContact O-OG1 3.08Å; R306-Y312 HydrophobicContact CB-CD1 4.2Å; R306-Y312 HydrophobicContact CB-CD2 4.28Å; R306-Y312 HydrophobicContact CB-CE1 4.38Å; R306-Y312 HydrophobicContact CB-CE2 4.46Å; R306-Y312 HydrophobicContact CB-CG 4.15Å; R306-Y312 VanDerWaalsContact O-CB 3.3Å; R306-Y312 WeakPolarHBondContact O-CB 3.44Å; R306-Y312 VanDerWaalsContact O-CD1 3.24Å; R306-Y312 WeakPolarHBondContact O-CD1 3.32Å
307L92.9Very high85.6Confident33 Ų3366.1 Ų66.117%0.17334%0.341CS..G310 helixtrans-63.4-23.5175.3-60.5177.4000112.7V299 K303 I304 D305 Y312 L335 L351V299-L307 HydrophobicContact CG1-CD1 4.27Å; V299-L307 HydrophobicContact CG2-CD1 4.36Å; K303-L307 PolarHBondContact O-N 3.13Å; I304-L307 HydrophobicContact CD1-CD1 4.23Å; I304-L307 VanDerWaalsContact O-CB 3.3Å; I304-L307 WeakPolarHBondContact O-CB 3.43Å; I304-L307 PolarHBondContact O-N 3.36Å; I304-L307 VanDerWaalsContact O-N 3.07Å; D305-L307 VanDerWaalsContact C-N 3.27Å; D305-L307 PolarHBondContact O-N 2.95Å; L307-Y312 HydrophobicContact CD2-CD1 4.43Å; L307-Y312 HydrophobicContact CD2-CE1 3.92Å; L307-L335 HydrophobicContact CB-CD1 4.02Å; L307-L351 HydrophobicContact CB-CD1 4.46Å; L307-L351 HydrophobicContact CD1-CD1 3.84Å
308F94.3Very high83.9Confident17 Ų1766.9 Ų66.98%0.07534%0.343CS..G310 helixtrans-91.34.5174.9-66.2-72.1000113.4Q154 D305 R306 L335 P336 R339 L349 L351Q154-F308 PolarHBondContact NE2-O 3.23Å; D305-F308 PolarHBondContact O-N 3.22Å; R306-F308 PolarHBondContact O-N 3.39Å; F308-L335 HydrophobicContact CD1-CB 4.39Å; F308-L335 HydrophobicContact CE1-CB 4.34Å; F308-P336 WeakPolarHBondContact O-CG 3.17Å; F308-R339 HydrophobicContact CD1-CB 4.26Å; F308-R339 HydrophobicContact CE1-CB 4.02Å; F308-R339 HydrophobicContact CE1-CG 4.37Å; F308-L349 HydrophobicContact CE1-CD2 4Å; F308-L349 HydrophobicContact CZ-CD2 3.9Å; F308-L351 HydrophobicContact CE2-CD1 3.96Å; F308-L351 HydrophobicContact CE2-CG 4.24Å; F308-L351 HydrophobicContact CZ-CD1 3.79Å; F308-L351 HydrophobicContact CZ-CG 3.89Å
309T90.9Very high81.7Confident38 Ų3870.5 Ų70.523%0.23337%0.365CS..  trans-89.7125.6178.6-50.90000111.1Q154 R306 T311 Y312Q154-T309 VanDerWaalsContact OE1-CA 3.27Å; R306-T309 VanDerWaalsContact O-CB 3.32Å; R306-T309 WeakPolarHBondContact O-CB 3.34Å; R306-T309 PolarHBondContact O-N 3.06Å; R306-T309 PolarHBondContact O-OG1 3.08Å; T309-T311 WeakPolarHBondContact CG2-OG1 3.47Å; T309-T311 PolarHBondContact O-N 3.22Å; T309-T311 VanDerWaalsContact O-N 3.11Å; T309-Y312 WeakPolarHBondContact O-CB 3.44Å; T309-Y312 PolarHBondContact O-N 3.08Å
310Y88.4Confident79.6Confident6 Ų674.6 Ų74.62%0.02439%0.385CS..THydrogen-bonded Turntrans-62.4-21.9-177.4-69.5-78000114.7Q154 L157 D158 Y161 Y333 P336 I337 L340Q154-Y310 VanDerWaalsContact NE2-CD2 3.35Å; Q154-Y310 VanDerWaalsContact NE2-CE2 3.29Å; Q154-Y310 VanDerWaalsContact OE1-CD2 3.24Å; L157-Y310 HydrophobicContact CB-CD2 3.44Å; L157-Y310 VanDerWaalsContact CB-CD2 3.44Å; L157-Y310 HydrophobicContact CB-CE2 3.4Å; L157-Y310 HydrophobicContact CB-CG 4.15Å; L157-Y310 HydrophobicContact CD1-CD1 4.44Å; L157-Y310 HydrophobicContact CD1-CD2 3.5Å; L157-Y310 HydrophobicContact CD1-CE2 4.33Å; L157-Y310 HydrophobicContact CD1-CG 3.59Å; L157-Y310 HydrophobicContact CG-CD2 4.14Å; D158-Y310 WeakPolarHBondContact OD1-CE2 3.41Å; D158-Y310 PolarHBondContact OD1-OH 2.94Å; Y161-Y310 AromaticContact CD2-CE1 3.74Å; Y161-Y310 HydrophobicContact CD2-CE1 3.74Å; Y161-Y310 AromaticContact CD2-CZ 3.72Å; Y161-Y310 HydrophobicContact CE2-CD1 4.21Å; Y161-Y310 AromaticContact CE2-CE1 3.73Å; Y161-Y310 HydrophobicContact CE2-CE1 3.73Å; Y310-Y333 AromaticContact CD1-CD1 3.84Å; Y310-Y333 HydrophobicContact CD1-CD1 3.84Å; Y310-Y333 AromaticContact CD1-CD2 3.77Å; Y310-Y333 HydrophobicContact CD1-CD2 3.77Å; Y310-Y333 AromaticContact CD1-CE1 3.8Å; Y310-Y333 HydrophobicContact CD1-CE1 3.8Å; Y310-Y333 AromaticContact CD1-CE2 3.74Å; Y310-Y333 HydrophobicContact CD1-CE2 3.74Å; Y310-Y333 AromaticContact CD1-CG 3.82Å; Y310-Y333 HydrophobicContact CD1-CG 3.82Å; Y310-Y333 AromaticContact CD1-CZ 3.72Å; Y310-Y333 HydrophobicContact CE1-CD1 4.11Å; Y310-Y333 HydrophobicContact CE1-CE1 4.27Å; Y310-Y333 HydrophobicContact CE1-CG 4.31Å; Y310-Y333 HydrophobicContact CG-CE2 4.25Å; Y310-Y333 WeakPolarHBondContact O-CE2 3.49Å; Y310-P336 HydrophobicContact CD1-CB 3.98Å; Y310-P336 HydrophobicContact CD1-CG 4.12Å; Y310-P336 HydrophobicContact CE1-CB 3.43Å; Y310-P336 VanDerWaalsContact CE1-CB 3.43Å; Y310-P336 HydrophobicContact CE1-CG 4.06Å; Y310-P336 HydrophobicContact CE2-CB 4.05Å; Y310-P336 HydrophobicContact CG-CB 4.5Å; Y310-P336 VanDerWaalsContact CZ-CB 3.44Å; Y310-I337 HydrophobicContact CE1-CG1 4.18Å; Y310-L340 VanDerWaalsContact OH-CD1 3.28Å; Y310-L340 WeakPolarHBondContact OH-CD1 3.49Å
311T79.9Confident77Confident54 Ų5480.1 Ų80.133%0.33141%0.413SS..THydrogen-bonded Turntrans-93.12.117959.20000113.4T309T309-T311 WeakPolarHBondContact CG2-OG1 3.47Å; T309-T311 PolarHBondContact O-N 3.22Å; T309-T311 VanDerWaalsContact O-N 3.11Å
312Y79.7Confident74.4Confident49 Ų4976.8 Ų76.819%0.19242%0.415CS..  trans-108.4123.8-180-173.1-98.2000110.9R306 L307 T309 T314R306-Y312 HydrophobicContact CB-CD1 4.2Å; R306-Y312 HydrophobicContact CB-CD2 4.28Å; R306-Y312 HydrophobicContact CB-CE1 4.38Å; R306-Y312 HydrophobicContact CB-CE2 4.46Å; R306-Y312 HydrophobicContact CB-CG 4.15Å; R306-Y312 VanDerWaalsContact O-CB 3.3Å; R306-Y312 WeakPolarHBondContact O-CB 3.44Å; R306-Y312 VanDerWaalsContact O-CD1 3.24Å; R306-Y312 WeakPolarHBondContact O-CD1 3.32Å; L307-Y312 HydrophobicContact CD2-CD1 4.43Å; L307-Y312 HydrophobicContact CD2-CE1 3.92Å; T309-Y312 WeakPolarHBondContact O-CB 3.44Å; T309-Y312 PolarHBondContact O-N 3.08Å; Y312-T314 HydrophobicContact CE1-CG2 4.18Å
313S73.9Confident71.9Confident53 Ų5372 Ų7237%0.37141%0.41SS..  trans-149.3142.9173.4-178.50000109A315 G330S313-A315 PolarHBondContact OG-N 3.33Å; S313-G330 PolarHBondContact OG-O 3.26Å
314T61.8Low69.5Low96 Ų9681.3 Ų81.359%0.58944%0.443SS*.SBendtrans-98.8-7.2175.356.50000112.7Y312Y312-T314 HydrophobicContact CE1-CG2 4.18Å
315A65.9Low67.4Low16 Ų1683 Ų8313%0.13246%0.459CS..SBendtrans-87149.617800000111.6S313 A329S313-A315 PolarHBondContact OG-N 3.33Å; A315-A329 HydrophobicContact CB-CB 3.63Å
316P61Low65.5Low112 Ų11279.7 Ų79.773%0.72745%0.451SS*.PPolyproline II helixtrans-53.1146.7161.7-19.530.9000110.4
317R62.9Low64Low147 Ų14776.2 Ų76.256%0.55544%0.444SS*.PPolyproline II helixtrans-69.1128.5179.2-63.7-175.5-171.2177.54.5109.3E141E141-R317 IonicContact OE1-CZ 2.73Å; E141-R317 IonicContact OE1-NH1 3.68Å; E141-R317 PolarHBondContact OE1-NH1 3.47Å
318P59.8Low62.2Low31 Ų3175.5 Ų75.520%0.20144%0.441CS..PPolyproline II helixtrans-70137.5175.927.4-29.3000108.9P327 Y331P318-P327 HydrophobicContact CB-CB 3.96Å; P318-P327 HydrophobicContact CB-CG 3.71Å; P318-P327 HydrophobicContact CG-CG 3.9Å; P318-Y331 HydrophobicContact CG-CD2 3.89Å; P318-Y331 HydrophobicContact CG-CE1 4.27Å; P318-Y331 HydrophobicContact CG-CE2 3.52Å; P318-Y331 HydrophobicContact CG-CG 4.42Å
319S52.7Low60.6Low97 Ų9775.9 Ų75.968%0.67845%0.447SS*.PPolyproline II helixtrans-68.8138173.151.60000109.8D321S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 VanDerWaalsContact O-N 3.07Å
320I53Low59.1Low120 Ų12074.5 Ų74.562%0.61544%0.441SS*.  trans-8027.2174.1-53.8165.6000109.8G322I320-G322 PolarHBondContact O-N 3.24Å
321D40.8Very low58Low137 Ų13778.7 Ų78.773%0.73346%0.457SS*.SBendtrans-8891.8-179.7-99.4-10000109.8S319 S323S319-D321 PolarHBondContact O-N 2.95Å; S319-D321 VanDerWaalsContact O-N 3.07Å; D321-S323 PolarHBondContact O-N 3.02Å
322G41.7Very low58.1Low81 Ų8177 Ų7784%0.83545%0.451SS*.SBendtrans57.3-11.3149.900000120I320 R324I320-G322 PolarHBondContact O-N 3.24Å; G322-R324 PolarHBondContact O-N 3.43Å
323S41.4Very low58.5Low85 Ų8575.5 Ų75.559%0.59445%0.445SS*.  trans-79.2109.5178.8145.40000107.7D321 A325D321-S323 PolarHBondContact O-N 3.02Å; S323-A325 PolarHBondContact O-N 3.35Å; S323-A325 WeakPolarHBondContact OG-CB 3.49Å; S323-A325 PolarHBondContact OG-N 3.45Å
324R43.8Very low59.4Low260 Ų26073.8 Ų73.898%0.98144%0.435SS*.  trans-65.41.5170.4-67.9-177.1176.6-180-0.2113.2G322G322-R324 PolarHBondContact O-N 3.43Å
325A47.6Very low61Low52 Ų5270.4 Ų70.443%0.4341%0.413SS..SBendtrans-79.2120.5176.700000109.9S323S323-A325 PolarHBondContact O-N 3.35Å; S323-A325 WeakPolarHBondContact OG-CB 3.49Å; S323-A325 PolarHBondContact OG-N 3.45Å
326A53Low62.4Low62 Ų6269.8 Ų69.851%0.51241%0.408SS..PPolyproline II helixtrans-62122.6171.800000108.9
327P58Low64.1Low54 Ų5465 Ų6535%0.35138%0.376SS..PPolyproline II helixtrans-67.1149178.530.5-35.8000109.7P318 A329 Y331P318-P327 HydrophobicContact CB-CB 3.96Å; P318-P327 HydrophobicContact CB-CG 3.71Å; P318-P327 HydrophobicContact CG-CG 3.9Å; P327-A329 WeakPolarHBondContact CB-O 3.37Å; P327-A329 PolarHBondContact O-N 2.84Å; P327-Y331 HydrophobicContact CG-CE2 4.5Å
328L56.6Low65.8Low18 Ų1858 Ų589%0.09435%0.35CS..SBendtrans-57.5-40.3-179.2-170.873.2000111.3L215 Y220 K258 R262L215-L328 HydrophobicContact CB-CD1 4.06Å; Y220-L328 HydrophobicContact CD2-CD2 4.33Å; Y220-L328 HydrophobicContact CE2-CD2 3.46Å; Y220-L328 VanDerWaalsContact CE2-CD2 3.46Å; K258-L328 HydrophobicContact CB-CD1 4.04Å; K258-L328 HydrophobicContact CD-CD1 4.08Å; K258-L328 HydrophobicContact CG-CD1 3.85Å; K258-L328 PolarHBondContact NZ-O 3.01Å; R262-L328 HydrophobicContact CB-CD2 4.05Å; R262-L328 HydrophobicContact CG-CD2 4.46Å
329A59.2Low67.6Low26 Ų2659 Ų5922%0.21535%0.35CS..SBendtrans-144.2171.1172.800000110A315 P327A315-A329 HydrophobicContact CB-CB 3.63Å; P327-A329 WeakPolarHBondContact CB-O 3.37Å; P327-A329 PolarHBondContact O-N 2.84Å
330G60.6Low69.8Low9 Ų954.6 Ų54.69%0.09332%0.319CS..  trans156.3-53.5171.500000116.3S313S313-G330 PolarHBondContact OG-O 3.26Å
331Y65.4Low72Confident94 Ų9450.2 Ų50.237%0.36929%0.294SS..SBendtrans-81.3-18.1-173.9-70.4-74.6000114.4P318 P327 Y333P318-Y331 HydrophobicContact CG-CD2 3.89Å; P318-Y331 HydrophobicContact CG-CE1 4.27Å; P318-Y331 HydrophobicContact CG-CE2 3.52Å; P318-Y331 HydrophobicContact CG-CG 4.42Å; P327-Y331 HydrophobicContact CG-CE2 4.5Å; Y331-Y333 VanDerWaalsContact C-N 3.3Å; Y331-Y333 WeakPolarHBondContact O-CD2 3.5Å
332G80.8Confident74.8Confident19 Ų1943.7 Ų43.720%0.19626%0.259CS..SBendtrans76.614-177.500000114.6
333Y89.4Confident77.5Confident17 Ų1742.3 Ų42.37%0.06723%0.229CC..  trans-101.7-17.5-171.1-87.3-134.3000114.4I129 A133 L136 Y161 Y310 Y331 P336 I337I129-Y333 HydrophobicContact CG2-CD1 3.86Å; I129-Y333 HydrophobicContact CG2-CE1 4.29Å; A133-Y333 WeakPolarHBondContact CA-OH 3.34Å; A133-Y333 HydrophobicContact CB-CD1 4.42Å; A133-Y333 HydrophobicContact CB-CE1 3.73Å; A133-Y333 HydrophobicContact CB-CE2 4Å; L136-Y333 WeakPolarHBondContact CD1-OH 3.48Å; Y161-Y333 HydrophobicContact CE2-CD1 4.18Å; Y161-Y333 AromaticContact CE2-CE1 3.64Å; Y161-Y333 HydrophobicContact CE2-CE1 3.64Å; Y161-Y333 AromaticContact CZ-CE1 3.67Å; Y161-Y333 VanDerWaalsContact OH-CE1 3.29Å; Y161-Y333 WeakPolarHBondContact OH-CE1 3.32Å; Y310-Y333 AromaticContact CD1-CD1 3.84Å; Y310-Y333 HydrophobicContact CD1-CD1 3.84Å; Y310-Y333 AromaticContact CD1-CD2 3.77Å; Y310-Y333 HydrophobicContact CD1-CD2 3.77Å; Y310-Y333 AromaticContact CD1-CE1 3.8Å; Y310-Y333 HydrophobicContact CD1-CE1 3.8Å; Y310-Y333 AromaticContact CD1-CE2 3.74Å; Y310-Y333 HydrophobicContact CD1-CE2 3.74Å; Y310-Y333 AromaticContact CD1-CG 3.82Å; Y310-Y333 HydrophobicContact CD1-CG 3.82Å; Y310-Y333 AromaticContact CD1-CZ 3.72Å; Y310-Y333 HydrophobicContact CE1-CD1 4.11Å; Y310-Y333 HydrophobicContact CE1-CE1 4.27Å; Y310-Y333 HydrophobicContact CE1-CG 4.31Å; Y310-Y333 HydrophobicContact CG-CE2 4.25Å; Y310-Y333 WeakPolarHBondContact O-CE2 3.49Å; Y331-Y333 VanDerWaalsContact C-N 3.3Å; Y331-Y333 WeakPolarHBondContact O-CD2 3.5Å; Y333-P336 WeakPolarHBondContact O-CD 3.35Å; Y333-I337 HydrophobicContact CD1-CD1 3.93Å; Y333-I337 HydrophobicContact CG-CD1 4.45Å; Y333-I337 VanDerWaalsContact O-CB 3.28Å; Y333-I337 WeakPolarHBondContact O-CB 3.34Å; Y333-I337 VanDerWaalsContact O-CG1 3.26Å; Y333-I337 WeakPolarHBondContact O-CG1 3.24Å; Y333-I337 PolarHBondContact O-N 3.05Å
334G92Very high80.2Confident17 Ų1738.3 Ų38.318%0.17520%0.201CC..Hα-helixtrans-58.9-53.6-173.100000113.4E255 S338E255-G334 WeakPolarHBondContact OE2-CA 3.24Å; G334-S338 VanDerWaalsContact O-CB 3.27Å; G334-S338 WeakPolarHBondContact O-CB 3.5Å; G334-S338 PolarHBondContact O-N 3.26Å; G334-S338 PolarHBondContact O-OG 2.83Å
335L94.8Very high82.8Confident24 Ų2426 Ų2613%0.12616%0.155CC..Hα-helixtrans-64.3-51.1179.8-77.6173.5000113.5L256 L307 F308 I337 S338 R339 L351L256-L335 HydrophobicContact CD2-CD2 3.72Å; L307-L335 HydrophobicContact CB-CD1 4.02Å; F308-L335 HydrophobicContact CD1-CB 4.39Å; F308-L335 HydrophobicContact CE1-CB 4.34Å; L335-I337 VanDerWaalsContact C-N 3.35Å; L335-I337 PolarHBondContact O-N 3.08Å; L335-S338 PolarHBondContact O-N 3.35Å; L335-R339 PolarHBondContact O-N 3.49Å; L335-L351 HydrophobicContact CD1-CD1 4.02Å; L335-L351 HydrophobicContact CD2-CD1 4.25Å
336P96.5Very high85.2Confident3 Ų326.7 Ų26.72%0.01915%0.149CC..Hα-helixtrans-55.5-47175.6-21.426.1000112.8F308 Y310 Y333 R339 L340F308-P336 WeakPolarHBondContact O-CG 3.17Å; Y310-P336 HydrophobicContact CD1-CB 3.98Å; Y310-P336 HydrophobicContact CD1-CG 4.12Å; Y310-P336 HydrophobicContact CE1-CB 3.43Å; Y310-P336 VanDerWaalsContact CE1-CB 3.43Å; Y310-P336 HydrophobicContact CE1-CG 4.06Å; Y310-P336 HydrophobicContact CE2-CB 4.05Å; Y310-P336 HydrophobicContact CG-CB 4.5Å; Y310-P336 VanDerWaalsContact CZ-CB 3.44Å; Y333-P336 WeakPolarHBondContact O-CD 3.35Å; P336-R339 WeakPolarHBondContact O-CB 3.38Å; P336-R339 PolarHBondContact O-N 3.47Å; P336-L340 WeakPolarHBondContact O-CG 3.47Å; P336-L340 PolarHBondContact O-N 3.11Å
337I96.6Very high87.4Confident12 Ų1224.3 Ų24.36%0.06213%0.131CC..Hα-helixtrans-67-41.7-179.1-69.7176.9000111.6I129 Y310 Y333 L335 R339 L340 Y341I129-I337 HydrophobicContact CD1-CD1 4.18Å; I129-I337 HydrophobicContact CG2-CD1 3.85Å; Y310-I337 HydrophobicContact CE1-CG1 4.18Å; Y333-I337 HydrophobicContact CD1-CD1 3.93Å; Y333-I337 HydrophobicContact CG-CD1 4.45Å; Y333-I337 VanDerWaalsContact O-CB 3.28Å; Y333-I337 WeakPolarHBondContact O-CB 3.34Å; Y333-I337 VanDerWaalsContact O-CG1 3.26Å; Y333-I337 WeakPolarHBondContact O-CG1 3.24Å; Y333-I337 PolarHBondContact O-N 3.05Å; L335-I337 VanDerWaalsContact C-N 3.35Å; L335-I337 PolarHBondContact O-N 3.08Å; I337-R339 PolarHBondContact O-N 2.76Å; I337-L340 WeakPolarHBondContact O-CA 3.35Å; I337-L340 WeakPolarHBondContact O-CB 3.21Å; I337-L340 PolarHBondContact O-N 3Å; I337-Y341 HydrophobicContact CG2-CD2 3.65Å; I337-Y341 HydrophobicContact CG2-CE2 3.48Å; I337-Y341 VanDerWaalsContact CG2-CE2 3.48Å; I337-Y341 WeakPolarHBondContact O-CD2 3.35Å; I337-Y341 PolarHBondContact O-N 3.42Å
338S98.3Very high89.3Confident0 Ų023.1 Ų23.10%012%0.121CC..Hα-helixtrans-58.1-39.8175.5-630000111.2M252 E255 G334 L335 L340 Y341 A342M252-S338 WeakPolarHBondContact CG-O 3.3Å; M252-S338 VanDerWaalsContact SD-O 3.38Å; E255-S338 WeakPolarHBondContact CB-OG 3.12Å; G334-S338 VanDerWaalsContact O-CB 3.27Å; G334-S338 WeakPolarHBondContact O-CB 3.5Å; G334-S338 PolarHBondContact O-N 3.26Å; G334-S338 PolarHBondContact O-OG 2.83Å; L335-S338 PolarHBondContact O-N 3.35Å; S338-L340 PolarHBondContact O-N 3.42Å; S338-Y341 PolarHBondContact O-N 2.89Å; S338-A342 PolarHBondContact O-N 3.19Å; S338-A342 VanDerWaalsContact O-N 3.07Å
339R98.6Very high91.3Very high52 Ų5222.3 Ų22.320%0.19612%0.117CC..Hα-helixtrans-64.6-37.9173.9-169.3176.8-162179.77.9112.8F308 L335 P336 I337 A342 R343 D348 L349F308-R339 HydrophobicContact CD1-CB 4.26Å; F308-R339 HydrophobicContact CE1-CB 4.02Å; F308-R339 HydrophobicContact CE1-CG 4.37Å; L335-R339 PolarHBondContact O-N 3.49Å; P336-R339 WeakPolarHBondContact O-CB 3.38Å; P336-R339 PolarHBondContact O-N 3.47Å; I337-R339 PolarHBondContact O-N 2.76Å; R339-A342 PolarHBondContact O-N 3.27Å; R339-R343 HydrophobicContact CG-CG 4.49Å; R339-R343 VanDerWaalsContact NE-CZ 3.25Å; R339-R343 VanDerWaalsContact NE-NH2 3.1Å; R339-R343 WeakPolarHBondContact O-CB 3.18Å; R339-R343 VanDerWaalsContact O-CG 3.28Å; R339-R343 WeakPolarHBondContact O-CG 3.3Å; R339-R343 PolarHBondContact O-N 3.1Å; R339-D348 IonicContact CZ-OD1 3.36Å; R339-D348 IonicContact NE-OD1 2.79Å; R339-D348 PolarHBondContact NE-OD1 3.43Å; R339-D348 VanDerWaalsContact NE-OD1 3.16Å; R339-D348 IonicContact NH2-OD1 2.54Å; R339-D348 IonicContact NH2-OD2 3.44Å; R339-L349 HydrophobicContact CB-CB 4.03Å; R339-L349 HydrophobicContact CG-CB 4.02Å; R339-L349 PolarHBondContact NE-O 3.03Å; R339-L349 VanDerWaalsContact NE-O 3.14Å
340L98.6Very high93.2Very high5 Ų524.9 Ų24.93%0.02612%0.123CC..Hα-helixtrans-64.9-41.4174.1-62179.8000111.7D158 Y161 M162 I165 Y310 P336 I337 S338 A342 R343 Y344D158-L340 HydrophobicContact CB-CD2 4.09Å; D158-L340 WeakPolarHBondContact O-CD1 3.36Å; Y161-L340 VanDerWaalsContact CB-CD1 3.46Å; M162-L340 HydrophobicContact CE-CB 4.18Å; M162-L340 HydrophobicContact CE-CD2 3.77Å; I165-L340 HydrophobicContact CD1-CB 3.92Å; Y310-L340 VanDerWaalsContact OH-CD1 3.28Å; Y310-L340 WeakPolarHBondContact OH-CD1 3.49Å; P336-L340 WeakPolarHBondContact O-CG 3.47Å; P336-L340 PolarHBondContact O-N 3.11Å; I337-L340 WeakPolarHBondContact O-CA 3.35Å; I337-L340 WeakPolarHBondContact O-CB 3.21Å; I337-L340 PolarHBondContact O-N 3Å; S338-L340 PolarHBondContact O-N 3.42Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 2.96Å; L340-R343 PolarHBondContact O-N 3.45Å; L340-Y344 VanDerWaalsContact O-CB 3.31Å; L340-Y344 WeakPolarHBondContact O-CB 3.32Å; L340-Y344 PolarHBondContact O-N 3.45Å
341Y98.6Very high95Very high27 Ų2725.4 Ų25.411%0.10612%0.124CC..Hα-helixtrans-59-41.4174.3-84.3-68.6000112.4I165 H248 H251 I337 S338I165-Y341 HydrophobicContact CD1-CD1 4.05Å; I165-Y341 HydrophobicContact CD1-CD2 4.23Å; I165-Y341 HydrophobicContact CD1-CE1 4.07Å; I165-Y341 HydrophobicContact CD1-CE2 4.26Å; I165-Y341 HydrophobicContact CD1-CG 4.14Å; I165-Y341 HydrophobicContact CG1-CD1 4.35Å; I165-Y341 HydrophobicContact CG1-CE1 3.92Å; I165-Y341 HydrophobicContact CG2-CD1 4.15Å; I165-Y341 HydrophobicContact CG2-CE1 3.97Å; H248-Y341 HydrophobicContact CB-CD1 3.93Å; H248-Y341 HydrophobicContact CB-CE1 4.45Å; H248-Y341 AromaticContact CD2-CD1 3.87Å; H248-Y341 AromaticContact CD2-CE1 3.58Å; H248-Y341 AromaticContact CE1-CE1 3.98Å; H248-Y341 AromaticContact CG-CD1 3.58Å; H248-Y341 AromaticContact CG-CE1 3.79Å; H248-Y341 AromaticContact ND1-CD1 3.69Å; H248-Y341 AromaticContact NE2-CE1 3.7Å; H251-Y341 AromaticContact CD2-CD2 3.35Å; H251-Y341 WeakPolarHBondContact CD2-CD2 3.31Å; H251-Y341 AromaticContact CD2-CE2 3.33Å; H251-Y341 WeakPolarHBondContact CD2-CE2 3.45Å; H251-Y341 AromaticContact CG-CE2 3.92Å; H251-Y341 AromaticContact NE2-CD2 3.98Å; H251-Y341 AromaticContact NE2-CE2 3.71Å; I337-Y341 HydrophobicContact CG2-CD2 3.65Å; I337-Y341 HydrophobicContact CG2-CE2 3.48Å; I337-Y341 VanDerWaalsContact CG2-CE2 3.48Å; I337-Y341 WeakPolarHBondContact O-CD2 3.35Å; I337-Y341 PolarHBondContact O-N 3.42Å; S338-Y341 PolarHBondContact O-N 2.89Å
342A98.6Very high96.5Very high0 Ų026.7 Ų26.70%013%0.129CC..Hα-helixtrans-64.6-47.1175.100000111.5M252 S338 R339 L340 Y344 G347 D348 L349 I363M252-A342 HydrophobicContact SD-CB 3.62Å; M252-A342 PolarHBondContact SD-N 3.25Å; S338-A342 PolarHBondContact O-N 3.19Å; S338-A342 VanDerWaalsContact O-N 3.07Å; R339-A342 PolarHBondContact O-N 3.27Å; L340-A342 VanDerWaalsContact C-N 3.32Å; L340-A342 PolarHBondContact O-N 2.96Å; A342-Y344 VanDerWaalsContact C-N 3.28Å; A342-Y344 PolarHBondContact O-N 3.46Å; A342-G347 CarbonylContact O-C 3.56Å; A342-G347 WeakPolarHBondContact O-CA 3.42Å; A342-G347 PolarHBondContact O-N 3.47Å; A342-D348 VanDerWaalsContact CB-C 3.5Å; A342-L349 HydrophobicContact CB-CB 4.22Å; A342-I363 HydrophobicContact CB-CG2 4.43Å
343R98.7Very high97.3Very high53 Ų5327.1 Ų27.120%0.213%0.129CC..Hα-helixtrans-70-22.6-178.1-73.3175.5172.9-164.5-13.2114.4M162 R339 L340 F345 Q346 G347 D348 R375M162-R343 HydrophobicContact CE-CB 3.93Å; R339-R343 HydrophobicContact CG-CG 4.49Å; R339-R343 VanDerWaalsContact NE-CZ 3.25Å; R339-R343 VanDerWaalsContact NE-NH2 3.1Å; R339-R343 WeakPolarHBondContact O-CB 3.18Å; R339-R343 VanDerWaalsContact O-CG 3.28Å; R339-R343 WeakPolarHBondContact O-CG 3.3Å; R339-R343 PolarHBondContact O-N 3.1Å; L340-R343 PolarHBondContact O-N 3.45Å; R343-F345 PolarHBondContact O-N 3.33Å; R343-Q346 PolarHBondContact O-N 3.27Å; R343-Q346 VanDerWaalsContact O-N 3.16Å; R343-G347 WeakPolarHBondContact CA-O 3.31Å; R343-D348 IonicContact CZ-OD1 3.55Å; R343-D348 IonicContact NE-OD1 2.71Å; R343-D348 PolarHBondContact NE-OD1 2.9Å; R343-D348 IonicContact NH2-OD1 2.67Å; R343-D348 PolarHBondContact NH2-OD1 3.17Å; R343-D348 IonicContact NH2-OD2 3.55Å; R343-R375 WeakPolarHBondContact O-CB 3.38Å
344Y98.8Very high97.7Very high0 Ų031.9 Ų31.90%016%0.155CC..Hα-helixtrans-58.8-35.4-176.5175.3-121000112.2M162 I165 S166 M169 L340 A342 E374 R375 L376M162-Y344 HydrophobicContact SD-CD2 3.86Å; M162-Y344 HydrophobicContact SD-CG 4.32Å; I165-Y344 HydrophobicContact CG2-CD1 3.73Å; I165-Y344 HydrophobicContact CG2-CD2 4.06Å; I165-Y344 HydrophobicContact CG2-CE1 3.93Å; I165-Y344 HydrophobicContact CG2-CE2 4.27Å; I165-Y344 HydrophobicContact CG2-CG 3.78Å; S166-Y344 WeakPolarHBondContact CA-OH 3.44Å; M169-Y344 HydrophobicContact CB-CE1 4.32Å; M169-Y344 WeakPolarHBondContact CB-OH 3.46Å; M169-Y344 HydrophobicContact CG-CE1 4.33Å; M169-Y344 WeakPolarHBondContact CG-OH 3.14Å; L340-Y344 VanDerWaalsContact O-CB 3.31Å; L340-Y344 WeakPolarHBondContact O-CB 3.32Å; L340-Y344 PolarHBondContact O-N 3.45Å; A342-Y344 VanDerWaalsContact C-N 3.28Å; A342-Y344 PolarHBondContact O-N 3.46Å; Y344-E374 HydrophobicContact CE2-CB 4.19Å; Y344-E374 HydrophobicContact CE2-CG 3.78Å; Y344-E374 CarbonylContact O-C 3.6Å; Y344-E374 VanDerWaalsContact O-CA 3.27Å; Y344-E374 WeakPolarHBondContact O-CA 3.47Å; Y344-E374 WeakPolarHBondContact OH-CG 3.42Å; Y344-E374 PolarHBondContact OH-OE1 3.12Å; Y344-R375 PolarHBondContact O-N 3.25Å; Y344-L376 HydrophobicContact CE2-CD2 4.24Å
345F98.6Very high98Very high2 Ų237.6 Ų37.61%0.00918%0.177CC..THydrogen-bonded Turntrans-113.847.7173.3-71.2-63.7000112.4M30 M169 Y244 V245 R343 G347 S372 E374M30-F345 HydrophobicContact CE-CB 4.09Å; M30-F345 HydrophobicContact CE-CD1 4.14Å; M30-F345 HydrophobicContact CE-CD2 3.13Å; M30-F345 HydrophobicContact CE-CE1 4.35Å; M30-F345 HydrophobicContact CE-CE2 3.36Å; M30-F345 HydrophobicContact CE-CG 3.54Å; M30-F345 HydrophobicContact CE-CZ 3.99Å; M30-F345 HydrophobicContact CG-CD1 4Å; M30-F345 HydrophobicContact CG-CE1 3.87Å; M30-F345 HydrophobicContact CG-CE2 4.39Å; M30-F345 HydrophobicContact CG-CG 4.32Å; M30-F345 HydrophobicContact CG-CZ 4.06Å; M169-F345 HydrophobicContact CE-CZ 4.2Å; Y244-F345 HydrophobicContact CE2-CD2 4.47Å; V245-F345 HydrophobicContact CG2-CE2 4.38Å; R343-F345 PolarHBondContact O-N 3.33Å; F345-G347 PolarHBondContact O-N 3.05Å; F345-G347 VanDerWaalsContact O-N 3.14Å; F345-S372 WeakPolarHBondContact CD1-O 3.21Å; F345-E374 HydrophobicContact CE1-CG 3.92Å
346Q98.3Very high98.1Very high66 Ų6639.8 Ų39.831%0.30821%0.205SC..THydrogen-bonded Turntrans62.616.9174-48.7-55-37.400116.5R343 R366 I373R343-Q346 PolarHBondContact O-N 3.27Å; R343-Q346 VanDerWaalsContact O-N 3.16Å; Q346-R366 HydrophobicContact CB-CG 4.08Å; Q346-R366 PolarHBondContact O-NE 3.29Å; Q346-R366 VanDerWaalsContact O-NE 3.08Å; Q346-I373 HydrophobicContact CG-CB 4.32Å; Q346-I373 WeakPolarHBondContact CG-O 3.42Å; Q346-I373 PolarHBondContact NE2-O 3.09Å
347G98.4Very high98.2Very high13 Ų1345.8 Ų45.813%0.13423%0.229CC..  trans-86.5-164.9168.800000113.3A342 R343 F345 Y364A342-G347 CarbonylContact O-C 3.56Å; A342-G347 WeakPolarHBondContact O-CA 3.42Å; A342-G347 PolarHBondContact O-N 3.47Å; R343-G347 WeakPolarHBondContact CA-O 3.31Å; F345-G347 PolarHBondContact O-N 3.05Å; F345-G347 VanDerWaalsContact O-N 3.14Å; G347-Y364 WeakPolarHBondContact CA-O 3.49Å
348D98.6Very high98.2Very high29 Ų2945.4 Ų45.416%0.15523%0.227CC..EExtended strand (participates in β ladder)trans-157.1163.8169.5-159.112.2000111R339 A342 R343 K350 Y364R339-D348 IonicContact CZ-OD1 3.36Å; R339-D348 IonicContact NE-OD1 2.79Å; R339-D348 PolarHBondContact NE-OD1 3.43Å; R339-D348 VanDerWaalsContact NE-OD1 3.16Å; R339-D348 IonicContact NH2-OD1 2.54Å; R339-D348 IonicContact NH2-OD2 3.44Å; A342-D348 VanDerWaalsContact CB-C 3.5Å; R343-D348 IonicContact CZ-OD1 3.55Å; R343-D348 IonicContact NE-OD1 2.71Å; R343-D348 PolarHBondContact NE-OD1 2.9Å; R343-D348 IonicContact NH2-OD1 2.67Å; R343-D348 PolarHBondContact NH2-OD1 3.17Å; R343-D348 IonicContact NH2-OD2 3.55Å; D348-K350 VanDerWaalsContact OD2-CE 3.31Å; D348-K350 WeakPolarHBondContact OD2-CE 3.46Å; D348-Y364 PolarHBondContact N-O 2.93Å; D348-Y364 VanDerWaalsContact N-O 3.16Å; D348-Y364 PolarHBondContact O-N 3.42Å
349L98.7Very high98.3Very high0 Ų046.2 Ų46.20%023%0.232CC..EExtended strand (participates in β ladder)trans-123127168.4-170.4165.7000108.3L256 F308 R339 A342 L351 V362 I363L256-L349 HydrophobicContact CD1-CD1 4.46Å; L256-L349 HydrophobicContact CD2-CD1 4.3Å; F308-L349 HydrophobicContact CE1-CD2 4Å; F308-L349 HydrophobicContact CZ-CD2 3.9Å; R339-L349 HydrophobicContact CB-CB 4.03Å; R339-L349 HydrophobicContact CG-CB 4.02Å; R339-L349 PolarHBondContact NE-O 3.03Å; R339-L349 VanDerWaalsContact NE-O 3.14Å; A342-L349 HydrophobicContact CB-CB 4.22Å; L349-L351 HydrophobicContact CD2-CG 4.39Å; L349-V362 CarbonylContact C-O 3.55Å; L349-V362 WeakPolarHBondContact CA-O 3.44Å; L349-I363 HydrophobicContact CD1-CG1 4.15Å; L349-I363 HydrophobicContact CG-CG1 4.16Å
350K98.4Very high98.3Very high80 Ų8046.3 Ų46.335%0.34824%0.237SC..EExtended strand (participates in β ladder)trans-125.9148.5179.5-60.1-173.4-176.41770111D348 Y352 A361 V362 Y364D348-K350 VanDerWaalsContact OD2-CE 3.31Å; D348-K350 WeakPolarHBondContact OD2-CE 3.46Å; K350-Y352 HydrophobicContact CB-CE2 3.67Å; K350-Y352 VanDerWaalsContact CD-OH 3.23Å; K350-Y352 WeakPolarHBondContact CD-OH 3.34Å; K350-A361 WeakPolarHBondContact O-CA 3.34Å; K350-V362 PolarHBondContact N-O 3.32Å; K350-V362 PolarHBondContact O-N 3.32Å; K350-Y364 HydrophobicContact CD-CE2 4.21Å; K350-Y364 HydrophobicContact CG-CE2 4.4Å
351L98.1Very high98.3Very high21 Ų2146.4 Ų46.411%0.1124%0.238CC..EExtended strand (participates in β ladder)trans-118135175.4-68.6174.5000109.2I304 L307 F308 L335 L349 T359 D360 A361I304-L351 HydrophobicContact CG2-CB 4.42Å; L307-L351 HydrophobicContact CB-CD1 4.46Å; L307-L351 HydrophobicContact CD1-CD1 3.84Å; F308-L351 HydrophobicContact CE2-CD1 3.96Å; F308-L351 HydrophobicContact CE2-CG 4.24Å; F308-L351 HydrophobicContact CZ-CD1 3.79Å; F308-L351 HydrophobicContact CZ-CG 3.89Å; L335-L351 HydrophobicContact CD1-CD1 4.02Å; L335-L351 HydrophobicContact CD2-CD1 4.25Å; L349-L351 HydrophobicContact CD2-CG 4.39Å; L351-T359 HydrophobicContact CD2-CG2 4.2Å; L351-D360 WeakPolarHBondContact CA-O 3.45Å; L351-A361 HydrophobicContact CD2-CB 3.41Å; L351-A361 VanDerWaalsContact CD2-CB 3.41Å
352Y98Very high98.3Very high121 Ų12145.6 Ų45.648%0.47524%0.236SC..EExtended strand (participates in β ladder)trans-130119.7174.5-57.3-84.3000107.2K350 D360 V362K350-Y352 HydrophobicContact CB-CE2 3.67Å; K350-Y352 VanDerWaalsContact CD-OH 3.23Å; K350-Y352 WeakPolarHBondContact CD-OH 3.34Å; Y352-D360 PolarHBondContact N-O 2.97Å; Y352-D360 PolarHBondContact O-N 2.8Å; Y352-V362 HydrophobicContact CD2-CG2 4.12Å; Y352-V362 HydrophobicContact CE2-CG2 4.12Å
353S97.5Very high98.3Very high28 Ų2845.6 Ų45.620%0.19624%0.236CC..EExtended strand (participates in β ladder)trans-126.4141.9-174.1-1600000111.1G298 V299 G358 T359G298-S353 WeakPolarHBondContact CA-OG 3.48Å; V299-S353 PolarHBondContact N-OG 3.44Å; S353-G358 PolarHBondContact OG-O 2.98Å; S353-G358 VanDerWaalsContact OG-O 3.12Å; S353-T359 PolarHBondContact OG-OG1 2.87Å
354L97.9Very high98.3Very high116 Ų11646.2 Ų46.261%0.60724%0.239SC*.EExtended strand (participates in β ladder)trans-109.7101.8172.9-60.9179.3000106.8G356 Y357 G358L354-G356 PolarHBondContact O-N 3.36Å; L354-Y357 HydrophobicContact CB-CD1 4.39Å; L354-Y357 HydrophobicContact CD1-CD1 4.09Å; L354-Y357 PolarHBondContact O-N 3.42Å; L354-G358 PolarHBondContact N-O 3.06Å; L354-G358 PolarHBondContact O-N 3.38Å; L354-G358 VanDerWaalsContact O-N 3.11Å
355E97.9Very high98.3Very high137 Ų13746.4 Ų46.464%0.6424%0.24SC*.THydrogen-bonded Turntrans-56.7126.7179.3-175.9177.4-167.400110.5P300P300-E355 WeakPolarHBondContact CA-OE2 3.48Å; P300-E355 WeakPolarHBondContact CB-OE2 3.36Å; P300-E355 HydrophobicContact CG-CG 4.39Å; P300-E355 WeakPolarHBondContact CG-OE1 3.43Å
356G96.3Very high98.2Very high70 Ų7050 Ų5072%0.72225%0.253SS*.THydrogen-bonded Turntrans90.4-5-173.600000114.9G297 L354G297-G356 WeakPolarHBondContact O-CA 3.06Å; G297-G356 PolarHBondContact O-N 2.74Å; L354-G356 PolarHBondContact O-N 3.36Å
357Y97.8Very high98.1Very high130 Ų13047.6 Ų47.651%0.5125%0.245SC..THydrogen-bonded Turntrans-125.7-65.2-178-177.7-104.4000113.1R295 G297 L354R295-Y357 CarbonylContact C-O 3.59Å; R295-Y357 VanDerWaalsContact C-O 3.25Å; R295-Y357 WeakPolarHBondContact CA-O 3.49Å; G297-Y357 PolarHBondContact N-O 3.19Å; G297-Y357 VanDerWaalsContact N-O 3.15Å; G297-Y357 PolarHBondContact O-N 2.94Å; L354-Y357 HydrophobicContact CB-CD1 4.39Å; L354-Y357 HydrophobicContact CD1-CD1 4.09Å; L354-Y357 PolarHBondContact O-N 3.42Å
358G98.2Very high97.9Very high3 Ų350.4 Ų50.43%0.03126%0.257CS..EExtended strand (participates in β ladder)trans175.9-178.1-170.300000113.8D294 S353 L354D294-G358 WeakPolarHBondContact O-CA 3.33Å; S353-G358 PolarHBondContact OG-O 2.98Å; S353-G358 VanDerWaalsContact OG-O 3.12Å; L354-G358 PolarHBondContact N-O 3.06Å; L354-G358 PolarHBondContact O-N 3.38Å; L354-G358 VanDerWaalsContact O-N 3.11Å
359T98.8Very high97.7Very high17 Ų1750.2 Ų50.210%0.10426%0.258CS..EExtended strand (participates in β ladder)trans-132.6136.3-178.5-51.30000112.1S293 D294 L351 S353S293-T359 WeakPolarHBondContact CA-O 3.46Å; D294-T359 PolarHBondContact N-O 3.05Å; D294-T359 PolarHBondContact O-N 3.28Å; D294-T359 PolarHBondContact OD1-N 3.02Å; D294-T359 VanDerWaalsContact OD1-N 3.16Å; L351-T359 HydrophobicContact CD2-CG2 4.2Å; S353-T359 PolarHBondContact OG-OG1 2.87Å
360D98.8Very high97.6Very high55 Ų5553.7 Ų53.729%0.29428%0.279SS..EExtended strand (participates in β ladder)trans-103.1121.2168.8-75.513.2000109.2K291 S293 L351 Y352K291-D360 HydrophobicContact CD-CB 4.3Å; K291-D360 HydrophobicContact CG-CB 4.5Å; K291-D360 IonicContact NZ-OD2 3.39Å; S293-D360 VanDerWaalsContact CB-OD1 3.24Å; S293-D360 WeakPolarHBondContact CB-OD1 3.37Å; S293-D360 PolarHBondContact OG-OD1 3.31Å; L351-D360 WeakPolarHBondContact CA-O 3.45Å; Y352-D360 PolarHBondContact N-O 2.97Å; Y352-D360 PolarHBondContact O-N 2.8Å
361A98.8Very high97.5Very high7 Ų753.6 Ų53.66%0.05828%0.28CS..EExtended strand (participates in β ladder)trans-108.8121.7172.300000110.2L256 K291 V292 K350 L351L256-A361 HydrophobicContact CD1-CB 3.75Å; L256-A361 HydrophobicContact CD2-CB 3.68Å; L256-A361 HydrophobicContact CG-CB 4.24Å; K291-A361 CarbonylContact C-O 3.47Å; K291-A361 WeakPolarHBondContact CA-O 3.34Å; V292-A361 PolarHBondContact N-O 3.05Å; V292-A361 PolarHBondContact O-N 3.3Å; K350-A361 WeakPolarHBondContact O-CA 3.34Å; L351-A361 HydrophobicContact CD2-CB 3.41Å; L351-A361 VanDerWaalsContact CD2-CB 3.41Å
362V98.8Very high97.4Very high10 Ų1052.6 Ų52.66%0.06127%0.274CS..EExtended strand (participates in β ladder)trans-118.1119.9-173.7-167.30000110.3T289 V290 K291 L349 K350 Y352 Y364T289-V362 HydrophobicContact CG2-CG1 3.42Å; T289-V362 VanDerWaalsContact CG2-CG1 3.42Å; V290-V362 WeakPolarHBondContact O-CA 3.45Å; K291-V362 HydrophobicContact CB-CG2 4.4Å; K291-V362 HydrophobicContact CD-CG2 4.23Å; K291-V362 HydrophobicContact CG-CG2 3.98Å; L349-V362 CarbonylContact C-O 3.55Å; L349-V362 WeakPolarHBondContact CA-O 3.44Å; K350-V362 PolarHBondContact N-O 3.32Å; K350-V362 PolarHBondContact O-N 3.32Å; Y352-V362 HydrophobicContact CD2-CG2 4.12Å; Y352-V362 HydrophobicContact CE2-CG2 4.12Å; V362-Y364 HydrophobicContact CB-CE2 3.92Å; V362-Y364 HydrophobicContact CG1-CD2 4.14Å; V362-Y364 HydrophobicContact CG1-CE1 4.05Å; V362-Y364 HydrophobicContact CG1-CE2 3.49Å; V362-Y364 VanDerWaalsContact CG1-CE2 3.49Å; V362-Y364 VanDerWaalsContact CG1-CZ 3.45Å
363I98.9Very high97.4Very high0 Ų050.1 Ų50.10%027%0.269CS..EExtended strand (participates in β ladder)trans-97.9128.7170.5-60.4165000108.1M252 V253 L256 T289 V290 A342 L349 I365M252-I363 HydrophobicContact CB-CD1 3.63Å; M252-I363 HydrophobicContact CE-CG2 3.92Å; M252-I363 HydrophobicContact SD-CG2 4.09Å; V253-I363 HydrophobicContact CG1-CD1 3.78Å; L256-I363 HydrophobicContact CD1-CD1 3.67Å; L256-I363 HydrophobicContact CD1-CG1 3.91Å; T289-I363 WeakPolarHBondContact CA-O 3.46Å; V290-I363 HydrophobicContact CB-CB 4.33Å; V290-I363 PolarHBondContact N-O 3.22Å; V290-I363 PolarHBondContact O-N 2.63Å; A342-I363 HydrophobicContact CB-CG2 4.43Å; L349-I363 HydrophobicContact CD1-CG1 4.15Å; L349-I363 HydrophobicContact CG-CG1 4.16Å; I363-I365 HydrophobicContact CG2-CD1 4.14Å; I363-I365 HydrophobicContact CG2-CG1 4.01Å
364Y98.7Very high97.5Very high66 Ų6649 Ų4926%0.25926%0.26SS..EExtended strand (participates in β ladder)trans-109131.2171.4-61.1-88.2000109.2T289 G347 D348 K350 V362T289-Y364 HydrophobicContact CG2-CD1 4.31Å; T289-Y364 HydrophobicContact CG2-CE1 4.1Å; G347-Y364 WeakPolarHBondContact CA-O 3.49Å; D348-Y364 PolarHBondContact N-O 2.93Å; D348-Y364 VanDerWaalsContact N-O 3.16Å; D348-Y364 PolarHBondContact O-N 3.42Å; K350-Y364 HydrophobicContact CD-CE2 4.21Å; K350-Y364 HydrophobicContact CG-CE2 4.4Å; V362-Y364 HydrophobicContact CB-CE2 3.92Å; V362-Y364 HydrophobicContact CG1-CD2 4.14Å; V362-Y364 HydrophobicContact CG1-CE1 4.05Å; V362-Y364 HydrophobicContact CG1-CE2 3.49Å; V362-Y364 VanDerWaalsContact CG1-CE2 3.49Å; V362-Y364 VanDerWaalsContact CG1-CZ 3.45Å
365I98.4Very high97.5Very high3 Ų349.3 Ų49.32%0.01525%0.253CS..EExtended strand (participates in β ladder)trans-129.7140.3176.2-68.5167.4000107.6Y244 L249 M252 D287 L288 I363 A367Y244-I365 HydrophobicContact CD1-CD1 4.36Å; Y244-I365 HydrophobicContact CD2-CG2 3.59Å; Y244-I365 HydrophobicContact CE1-CD1 3.93Å; Y244-I365 HydrophobicContact CE2-CB 4.42Å; Y244-I365 HydrophobicContact CE2-CD1 4.22Å; Y244-I365 HydrophobicContact CE2-CG1 4.15Å; Y244-I365 HydrophobicContact CE2-CG2 3.43Å; Y244-I365 VanDerWaalsContact CE2-CG2 3.43Å; Y244-I365 HydrophobicContact CG-CG2 4.45Å; L249-I365 HydrophobicContact CD1-CD1 4.05Å; M252-I365 HydrophobicContact CE-CD1 4.18Å; D287-I365 WeakPolarHBondContact CA-O 3.47Å; L288-I365 HydrophobicContact CB-CB 4.18Å; L288-I365 HydrophobicContact CD2-CB 4.3Å; L288-I365 HydrophobicContact CD2-CD1 4.2Å; L288-I365 HydrophobicContact CD2-CG2 4.37Å; L288-I365 PolarHBondContact N-O 3.37Å; L288-I365 PolarHBondContact O-N 2.99Å; I363-I365 HydrophobicContact CG2-CD1 4.14Å; I363-I365 HydrophobicContact CG2-CG1 4.01Å; I365-A367 PolarHBondContact O-N 2.87Å
366R97.8Very high97.5Very high77 Ų7744.2 Ų44.229%0.29123%0.23SC..EExtended strand (participates in β ladder)trans-66.5127.4173.2-61.3-60.4177.41735.3110.3D287 Q346 L368 E371D287-R366 IonicContact OD1-NH1 3.95Å; D287-R366 PolarHBondContact OD1-NH1 2.67Å; Q346-R366 HydrophobicContact CB-CG 4.08Å; Q346-R366 PolarHBondContact O-NE 3.29Å; Q346-R366 VanDerWaalsContact O-NE 3.08Å; R366-L368 VanDerWaalsContact C-N 3.28Å; R366-L368 PolarHBondContact O-N 3.1Å; R366-E371 HydrophobicContact CB-CB 4.33Å; R366-E371 HydrophobicContact CG-CB 4.35Å
367A95.1Very high97.6Very high16 Ų1641.5 Ų41.513%0.13220%0.2CC..SBendtrans-70.4-27.6178.600000112.1L283 E286 I365L283-A367 HydrophobicContact CD1-CB 3.86Å; E286-A367 VanDerWaalsContact O-CB 3.29Å; E286-A367 WeakPolarHBondContact O-CB 3.46Å; E286-A367 PolarHBondContact O-N 2.72Å; I365-A367 PolarHBondContact O-N 2.87Å
368L95.3Very high97.6Very high73 Ų7337.5 Ų37.538%0.38219%0.189SC..SBendtrans-100.9124.1-178.1-58.8179.9000111.5R366 T370 E371 S372R366-L368 VanDerWaalsContact C-N 3.28Å; R366-L368 PolarHBondContact O-N 3.1Å; L368-T370 PolarHBondContact O-N 2.96Å; L368-T370 VanDerWaalsContact O-N 3.14Å; L368-E371 HydrophobicContact CB-CG 4.3Å; L368-E371 PolarHBondContact O-N 2.87Å; L368-S372 PolarHBondContact O-N 3.25Å; L368-S372 PolarHBondContact O-OG 2.99Å
369S94.6Very high97.6Very high25 Ų2539.6 Ų39.618%0.17520%0.196CC..THydrogen-bonded Turntrans-64.6-18.6-179.361.10000114.5K31 E371K31-S369 PolarHBondContact N-O 3.28Å; K31-S369 VanDerWaalsContact N-O 3.07Å; S369-E371 VanDerWaalsContact C-N 3.33Å
370T95.9Very high97.5Very high73 Ų7342.2 Ų42.245%0.44821%0.209SC..THydrogen-bonded Turntrans-68.8-30.5171.742.20000112.8K31 L368K31-T370 HydrophobicContact CB-CG2 4.44Å; K31-T370 HydrophobicContact CD-CG2 3.42Å; K31-T370 VanDerWaalsContact CD-CG2 3.42Å; L368-T370 PolarHBondContact O-N 2.96Å; L368-T370 VanDerWaalsContact O-N 3.14Å
371E95.5Very high97.2Very high78 Ų7848 Ų4836%0.36423%0.232SC..THydrogen-bonded Turntrans-96.6-18.4-177.1-62.5177.5-178.800111.9R366 L368 S369 I373R366-E371 HydrophobicContact CB-CB 4.33Å; R366-E371 HydrophobicContact CG-CB 4.35Å; L368-E371 HydrophobicContact CB-CG 4.3Å; L368-E371 PolarHBondContact O-N 2.87Å; S369-E371 VanDerWaalsContact C-N 3.33Å; E371-I373 PolarHBondContact O-N 3Å
372S97.2Very high97Very high0 Ų051.4 Ų51.40%026%0.255CS..  trans-70.772.9170.7-58.90000111.6S29 M30 F345 L368S29-S372 CarbonylContact C-O 3.59Å; S29-S372 VanDerWaalsContact CA-O 3.28Å; S29-S372 WeakPolarHBondContact CA-O 3.28Å; M30-S372 PolarHBondContact N-O 3.15Å; F345-S372 WeakPolarHBondContact CD1-O 3.21Å; L368-S372 PolarHBondContact O-N 3.25Å; L368-S372 PolarHBondContact O-OG 2.99Å
373I98.3Very high96.8Very high69 Ų6951 Ų5135%0.35425%0.253SS..BIsolated β-bridgetrans-98.4138.7-179.3-58.2169.2000110.6P27 Q346 E371 R375P27-I373 HydrophobicContact CB-CG2 4Å; Q346-I373 HydrophobicContact CG-CB 4.32Å; Q346-I373 WeakPolarHBondContact CG-O 3.42Å; Q346-I373 PolarHBondContact NE2-O 3.09Å; E371-I373 PolarHBondContact O-N 3Å; I373-R375 PolarHBondContact O-N 3.43Å
374E98.7Very high96.5Very high4 Ų456.3 Ų56.32%0.01927%0.273CS..  trans-53129.8173.7-76.2-178.5114.300112.4P27 L28 F33 R62 Y344 F345 L376P27-E374 HydrophobicContact CB-CB 3.96Å; P27-E374 VanDerWaalsContact CB-O 3.3Å; P27-E374 WeakPolarHBondContact CB-O 3.32Å; L28-E374 WeakPolarHBondContact CB-OE2 3.37Å; L28-E374 PolarHBondContact N-OE2 3.16Å; L28-E374 WeakPolarHBondContact O-CG 3.25Å; L28-E374 PolarHBondContact O-N 3.25Å; F33-E374 HydrophobicContact CE2-CG 4.44Å; R62-E374 IonicContact CZ-OE1 3.96Å; R62-E374 IonicContact CZ-OE2 3.16Å; R62-E374 IonicContact NH1-OE1 2.76Å; R62-E374 PolarHBondContact NH1-OE1 3.37Å; R62-E374 IonicContact NH1-OE2 3.6Å; R62-E374 IonicContact NH2-OE1 2.78Å; R62-E374 PolarHBondContact NH2-OE1 2.87Å; R62-E374 IonicContact NH2-OE2 3.83Å; R62-E374 PolarHBondContact NH2-OE2 3.07Å; Y344-E374 HydrophobicContact CE2-CB 4.19Å; Y344-E374 HydrophobicContact CE2-CG 3.78Å; Y344-E374 CarbonylContact O-C 3.6Å; Y344-E374 VanDerWaalsContact O-CA 3.27Å; Y344-E374 WeakPolarHBondContact O-CA 3.47Å; Y344-E374 WeakPolarHBondContact OH-CG 3.42Å; Y344-E374 PolarHBondContact OH-OE1 3.12Å; F345-E374 HydrophobicContact CE1-CG 3.92Å; E374-L376 HydrophobicContact CB-CD1 4.4Å; E374-L376 HydrophobicContact CB-CD2 3.97Å; E374-L376 HydrophobicContact CB-CG 4Å
375R98.3Very high96.2Very high123 Ų12359.8 Ų59.846%0.46429%0.29SS..  trans-96.8104.8169.1-174.2176178.2173.91.1109.8M162 R343 Y344 I373M162-R375 WeakPolarHBondContact CG-O 3.23Å; R343-R375 WeakPolarHBondContact O-CB 3.38Å; Y344-R375 PolarHBondContact O-N 3.25Å; I373-R375 PolarHBondContact O-N 3.43Å
376L98.4Very high95.8Very high30 Ų3064.2 Ų64.216%0.15731%0.31CS..  trans-109.8141.9-172.7-55.8-179.9000112.7P25 P27 Y344 E374P25-L376 HydrophobicContact CB-CB 4.16Å; P25-L376 HydrophobicContact CB-CD1 3.62Å; P27-L376 HydrophobicContact CB-CD1 4.09Å; P27-L376 HydrophobicContact CB-CG 4.41Å; Y344-L376 HydrophobicContact CE2-CD2 4.24Å; E374-L376 HydrophobicContact CB-CD1 4.4Å; E374-L376 HydrophobicContact CB-CD2 3.97Å; E374-L376 HydrophobicContact CB-CG 4Å
377P97.9Very high95.4Very high13 Ų1361.3 Ų61.38%0.08430%0.299CS..  trans-72.2134.8169.731.4-34.5000110.6R159R159-P377 HydrophobicContact CB-CB 3.85Å; R159-P377 HydrophobicContact CB-CG 4.5Å; R159-P377 HydrophobicContact CG-CB 4.14Å; R159-P377 WeakPolarHBondContact O-CG 3.35Å
378V97.9Very high94.9Very high45 Ų4566.1 Ų66.127%0.27332%0.317SS..  trans-115.6123176-172.40000109.6R159 N380R159-V378 VanDerWaalsContact NH2-C 3.26Å; R159-V378 PolarHBondContact NH2-O 3.47Å; V378-N380 PolarHBondContact O-N 3.18Å
379Y97.8Very high94Very high48 Ų4865.1 Ų65.119%0.18832%0.319CS..  trans-79.3116.9172.9179.4-109.3000109.7N65 K68 E69 L72 W384N65-Y379 WeakPolarHBondContact OD1-CB 3.48Å; N65-Y379 PolarHBondContact OD1-N 3.42Å; K68-Y379 HydrophobicContact CB-CD1 3.69Å; K68-Y379 HydrophobicContact CB-CD2 3.98Å; K68-Y379 HydrophobicContact CB-CE1 3.72Å; K68-Y379 HydrophobicContact CB-CE2 4.02Å; K68-Y379 HydrophobicContact CB-CG 3.81Å; K68-Y379 HydrophobicContact CD-CE1 4.25Å; K68-Y379 HydrophobicContact CG-CD1 3.87Å; K68-Y379 HydrophobicContact CG-CE1 3.78Å; K68-Y379 HydrophobicContact CG-CG 4.47Å; E69-Y379 HydrophobicContact CG-CD2 3.56Å; E69-Y379 HydrophobicContact CG-CE2 4.26Å; E69-Y379 HydrophobicContact CG-CG 4.4Å; L72-Y379 HydrophobicContact CD1-CE2 3.73Å; Y379-W384 HydrophobicContact CE2-CB 4.49Å
380N96Very high92.4Very high71 Ų7171.8 Ų71.838%0.3835%0.35SS..SBendtrans-154.9-173.3179.361.927.2000110.1V378 S382 A383 W384V378-N380 PolarHBondContact O-N 3.18Å; N380-S382 PolarHBondContact O-N 3.14Å; N380-S382 WeakPolarHBondContact OD1-CA 3.45Å; N380-S382 VanDerWaalsContact OD1-CB 3.31Å; N380-S382 WeakPolarHBondContact OD1-CB 3.43Å; N380-S382 PolarHBondContact OD1-N 3.38Å; N380-A383 PolarHBondContact O-N 3.06Å; N380-A383 PolarHBondContact OD1-N 3.22Å; N380-W384 WeakPolarHBondContact O-CB 3.27Å; N380-W384 PolarHBondContact O-N 2.67Å
381K93.9Very high91Very high177 Ų17776.4 Ų76.477%0.7737%0.366SS*.Hα-helixtrans-58.6-35.3177.9-72.7-172.2178.3-179.30113W384 K385K381-W384 PolarHBondContact O-N 2.9Å; K381-K385 WeakPolarHBondContact O-CG 3.3Å; K381-K385 PolarHBondContact O-N 3.32Å
382S94.1Very high90Very high78 Ų7879.7 Ų79.755%0.54538%0.382SS..Hα-helixtrans-67.8-46.5177.9-55.60000111.1N380 W384 K385 H386N380-S382 PolarHBondContact O-N 3.14Å; N380-S382 WeakPolarHBondContact OD1-CA 3.45Å; N380-S382 VanDerWaalsContact OD1-CB 3.31Å; N380-S382 WeakPolarHBondContact OD1-CB 3.43Å; N380-S382 PolarHBondContact OD1-N 3.38Å; S382-W384 VanDerWaalsContact C-N 3.33Å; S382-W384 PolarHBondContact O-N 2.99Å; S382-K385 PolarHBondContact O-N 3.16Å; S382-H386 PolarHBondContact O-CD2 3.22Å; S382-H386 PolarHBondContact O-N 3.34Å
383A93.9Very high89.1Confident2 Ų283.9 Ų83.92%0.01742%0.416CS..Hα-helixtrans-60-44174.300000111.5N380 K385 H386 Y387N380-A383 PolarHBondContact O-N 3.06Å; N380-A383 PolarHBondContact OD1-N 3.22Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.42Å; A383-H386 WeakPolarHBondContact O-CB 3.39Å; A383-H386 PolarHBondContact O-N 3Å; A383-Y387 WeakPolarHBondContact O-CD2 3.46Å
384W93.3Very high88.3Confident112 Ų11286 Ų8642%0.42443%0.428SS..Hα-helixtrans-59.6-39176.7179.990.5000113L72 Y379 N380 K381 S382 H386 Y387 K388L72-W384 HydrophobicContact CD1-CG 4.48Å; Y379-W384 HydrophobicContact CE2-CB 4.49Å; N380-W384 WeakPolarHBondContact O-CB 3.27Å; N380-W384 PolarHBondContact O-N 2.67Å; K381-W384 PolarHBondContact O-N 2.9Å; S382-W384 VanDerWaalsContact C-N 3.33Å; S382-W384 PolarHBondContact O-N 2.99Å; W384-H386 VanDerWaalsContact C-N 3.32Å; W384-H386 PolarHBondContact O-N 3.15Å; W384-Y387 PolarHBondContact O-N 3.07Å; W384-K388 HydrophobicContact CD2-CG 4.01Å; W384-K388 HydrophobicContact CE3-CG 4.13Å; W384-K388 HydrophobicContact CH2-CB 4.36Å; W384-K388 HydrophobicContact CH2-CG 3.76Å; W384-K388 HydrophobicContact CZ2-CD 4.22Å; W384-K388 HydrophobicContact CZ2-CG 3.61Å; W384-K388 HydrophobicContact CZ3-CB 4.31Å; W384-K388 HydrophobicContact CZ3-CG 4Å; W384-K388 PolarHBondContact O-N 3.21Å
385K91.4Very high87.8Confident139 Ų13992.4 Ų92.460%0.60446%0.463SS*.Hα-helixtrans-61.8-36.5177.9-79.3178178.8-171.70112.6K381 S382 A383 Y387 K388 A389K381-K385 WeakPolarHBondContact O-CG 3.3Å; K381-K385 PolarHBondContact O-N 3.32Å; S382-K385 PolarHBondContact O-N 3.16Å; A383-K385 VanDerWaalsContact C-N 3.31Å; A383-K385 PolarHBondContact O-N 3.42Å; K385-Y387 PolarHBondContact O-N 2.82Å; K385-K388 CarbonylContact O-C 3.44Å; K385-K388 PolarHBondContact O-N 3.07Å; K385-A389 PolarHBondContact O-N 3.2Å
386H90.4Very high87.5Confident95 Ų9596.6 Ų96.644%0.4448%0.478SS..Hα-helixtrans-56.6-39.2175.7-80.9-80.2000112.1N152 Y155 S382 A383 W384 K388N152-H386 PolarHBondContact OD1-O 2.91Å; Y155-H386 HydrophobicContact CD1-CB 3.92Å; Y155-H386 HydrophobicContact CD2-CB 4.47Å; Y155-H386 HydrophobicContact CE1-CB 3.65Å; Y155-H386 HydrophobicContact CE2-CB 4.22Å; Y155-H386 AromaticContact CE2-CD2 3.66Å; Y155-H386 AromaticContact CE2-CG 3.7Å; Y155-H386 AromaticContact CE2-ND1 3.93Å; Y155-H386 AromaticContact CE2-NE2 3.89Å; Y155-H386 HydrophobicContact CG-CB 4.34Å; Y155-H386 AromaticContact CZ-CD2 3.54Å; Y155-H386 AromaticContact CZ-CG 3.65Å; S382-H386 PolarHBondContact O-CD2 3.22Å; S382-H386 PolarHBondContact O-N 3.34Å; A383-H386 WeakPolarHBondContact O-CB 3.39Å; A383-H386 PolarHBondContact O-N 3Å; W384-H386 VanDerWaalsContact C-N 3.32Å; W384-H386 PolarHBondContact O-N 3.15Å; H386-K388 VanDerWaalsContact C-N 3.29Å; H386-K388 PolarHBondContact O-N 2.88Å
387Y89.3Confident87Confident16 Ų16101.4 Ų101.46%0.06351%0.513CS..Hα-helixtrans-76-13.6178.5-63.5-74.5000114.6E69 L72 Y155 F156 A383 W384 K385E69-Y387 HydrophobicContact CB-CE2 4.23Å; E69-Y387 HydrophobicContact CG-CE2 4.05Å; E69-Y387 PolarHBondContact OE2-OH 2.89Å; L72-Y387 HydrophobicContact CB-CD1 4.04Å; L72-Y387 HydrophobicContact CB-CD2 3.98Å; L72-Y387 HydrophobicContact CB-CG 3.73Å; L72-Y387 HydrophobicContact CD1-CD2 3.51Å; L72-Y387 HydrophobicContact CD1-CE2 4.1Å; L72-Y387 HydrophobicContact CD1-CG 4.03Å; L72-Y387 HydrophobicContact CG-CD2 4.41Å; Y155-Y387 HydrophobicContact CD1-CE1 4.22Å; Y155-Y387 HydrophobicContact CD1-CE2 4.14Å; Y155-Y387 AromaticContact CD1-CZ 3.75Å; Y155-Y387 AromaticContact CE1-CE2 3.76Å; Y155-Y387 HydrophobicContact CE1-CE2 3.76Å; Y155-Y387 AromaticContact CE1-CZ 3.81Å; F156-Y387 WeakPolarHBondContact CA-OH 3.41Å; F156-Y387 HydrophobicContact CB-CE1 3.96Å; F156-Y387 WeakPolarHBondContact CB-OH 3.38Å; A383-Y387 WeakPolarHBondContact O-CD2 3.46Å; W384-Y387 PolarHBondContact O-N 3.07Å; K385-Y387 PolarHBondContact O-N 2.82Å
388K84.4Confident86.6Confident117 Ų117105.7 Ų105.751%0.50954%0.539SS..Hα-helixtrans-110.5-8-177.6-64.6-59.4-175.3-170.30113.6W384 K385 H386 M390W384-K388 HydrophobicContact CD2-CG 4.01Å; W384-K388 HydrophobicContact CE3-CG 4.13Å; W384-K388 HydrophobicContact CH2-CB 4.36Å; W384-K388 HydrophobicContact CH2-CG 3.76Å; W384-K388 HydrophobicContact CZ2-CD 4.22Å; W384-K388 HydrophobicContact CZ2-CG 3.61Å; W384-K388 HydrophobicContact CZ3-CB 4.31Å; W384-K388 HydrophobicContact CZ3-CG 4Å; W384-K388 PolarHBondContact O-N 3.21Å; K385-K388 CarbonylContact O-C 3.44Å; K385-K388 PolarHBondContact O-N 3.07Å; H386-K388 VanDerWaalsContact C-N 3.29Å; H386-K388 PolarHBondContact O-N 2.88Å; K388-M390 PolarHBondContact O-N 3.4Å
389A75.9Confident86.1Confident52 Ų52108.6 Ų108.643%0.4356%0.559SS.*  trans-56.1123.8175.700000109.2K385K385-A389 PolarHBondContact O-N 3.2Å
390M62.5Low85.6Confident166 Ų166110.1 Ų110.182%0.81858%0.576SS**  trans-85.9165.6172-62.2-168.983.400108.9K388 E392K388-M390 PolarHBondContact O-N 3.4Å; M390-E392 PolarHBondContact O-N 2.96Å
391H65.8Low85.4Confident169 Ų169116.8 Ų116.878%0.78260%0.602SS**  trans-57.7114.9176.7-168.850.8000110.2V148V148-H391 HydrophobicContact CG2-CB 4.42Å
392E74.1Confident85.2Confident148 Ų148116.3 Ų116.369%0.69260%0.603SS**PPolyproline II helixtrans-87.5147.4170.1-68.1177.6-178.300108.5M390M390-E392 PolarHBondContact O-N 2.96Å
393A78.3Confident85Confident88 Ų88117.6 Ų117.673%0.72761%0.609SS**PPolyproline II helixtrans-60.6146.9170.800000109D395A393-D395 PolarHBondContact O-N 3.3Å
394D81.6Confident84.7Confident112 Ų112124.6 Ų124.660%0.59964%0.639SS**PPolyproline II helixtrans-60134.2178.4-156-25.2000109.9W396 V398D394-W396 PolarHBondContact O-N 2.92Å; D394-W396 PolarHBondContact OD1-N 3.36Å; D394-V398 HydrophobicContact CB-CG2 3.87Å; D394-V398 WeakPolarHBondContact OD2-CG2 3.48Å
395D88Confident84.5Confident140 Ų140123.7 Ų123.775%0.74964%0.642SS**SBendtrans-68.6-14.4-179.6-75-28.7000111.8A393A393-D395 PolarHBondContact O-N 3.3Å
396W92Very high84.3Confident210 Ų210123.1 Ų123.180%0.79565%0.645SS**SBendtrans-125.7157.2-177.9-60.488.2000112D394 V398D394-W396 PolarHBondContact O-N 2.92Å; D394-W396 PolarHBondContact OD1-N 3.36Å; W396-V398 PolarHBondContact O-N 2.65Å
397C89.1Confident84.1Confident131 Ų131124.2 Ų124.289%0.88566%0.659SS**PPolyproline II helixtrans-62.5122.6179.1-62.90000111.5
398V88.2Confident83.4Confident103 Ų103128.6 Ų128.662%0.62469%0.687SS**PPolyproline II helixtrans-91.1117.7169.6-175.90000108.6D394 W396D394-V398 HydrophobicContact CB-CG2 3.87Å; D394-V398 WeakPolarHBondContact OD2-CG2 3.48Å; W396-V398 PolarHBondContact O-N 2.65Å
399P87.3Confident82.2Confident107 Ų107129.7 Ų129.770%0.69569%0.692SS**PPolyproline II helixtrans-66.2152.7-179.727.5-34.2000111.7
400S88.9Confident81.3Confident79 Ų79137.6 Ų137.655%0.55271%0.711SS**PPolyproline II helixtrans-59.1141171.6179.80000110.4E402 P403S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 PolarHBondContact OG-N 2.9Å; S400-E402 VanDerWaalsContact OG-N 3.1Å; S400-E402 PolarHBondContact OG-O 3.26Å; S400-P403 WeakPolarHBondContact O-CD 3.46Å
401K90.1Very high81.1Confident211 Ų211135.4 Ų135.492%0.91771%0.712SS**SBendtrans-62.2-23.8170-69.6-175.5179.8177.40112.3P403K401-P403 WeakPolarHBondContact O-CD 3.48Å
402E91.1Very high80.5Confident168 Ų168140.4 Ų140.479%0.78573%0.732SS**SBendtrans-120.783.6174.6-65.5175-173.300107.5S400S400-E402 PolarHBondContact O-N 3.31Å; S400-E402 PolarHBondContact OG-N 2.9Å; S400-E402 VanDerWaalsContact OG-N 3.1Å; S400-E402 PolarHBondContact OG-O 3.26Å
403P90.4Very high80.9Confident104 Ų104140 Ų14068%0.67573%0.734SS**  trans-59.6139.4174.4-2132.8000109.9S400 K401 D405S400-P403 WeakPolarHBondContact O-CD 3.46Å; K401-P403 WeakPolarHBondContact O-CD 3.48Å; P403-D405 PolarHBondContact O-N 3.18Å
404K87.5Confident81Confident150 Ų150142.7 Ų142.765%0.65273%0.734SS**  trans-64127.5-179.9-171.5176.4-175.71790110.2L406K404-L406 PolarHBondContact O-N 3.1Å
405D87.9Confident81Confident93 Ų93144.4 Ų144.450%0.49774%0.742SS.*  trans-72.1115.2172.1-175.71.4000110.1P403 T407P403-D405 PolarHBondContact O-N 3.18Å; D405-T407 VanDerWaalsContact OD1-CB 3.3Å; D405-T407 WeakPolarHBondContact OD1-CB 3.3Å; D405-T407 VanDerWaalsContact OD1-CG2 3.3Å; D405-T407 WeakPolarHBondContact OD1-CG2 3.3Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 3.01Å; D405-T407 PolarHBondContact OD2-OG1 3.48Å
406L87.1Confident80.6Confident126 Ų126144.7 Ų144.766%0.6674%0.741SS**  trans-88.2-3.7-179.8-63.7178.4000113K404 T408 F409K404-L406 PolarHBondContact O-N 3.1Å; L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 PolarHBondContact O-N 3.37Å; L406-F409 PolarHBondContact O-N 3.03Å
407T85.8Confident79.8Confident119 Ų119140.6 Ų140.673%0.7374%0.738SS**THydrogen-bonded Turntrans-73-18.2-177.765.20000113.8D405D405-T407 VanDerWaalsContact OD1-CB 3.3Å; D405-T407 WeakPolarHBondContact OD1-CB 3.3Å; D405-T407 VanDerWaalsContact OD1-CG2 3.3Å; D405-T407 WeakPolarHBondContact OD1-CG2 3.3Å; D405-T407 PolarHBondContact OD1-N 3.47Å; D405-T407 PolarHBondContact OD1-OG1 3.01Å; D405-T407 PolarHBondContact OD2-OG1 3.48Å
408T75.2Confident79.2Confident108 Ų108141.3 Ų141.366%0.66373%0.728SS**THydrogen-bonded Turntrans-94.9-0.6-179.855.20000114L406 R410L406-T408 VanDerWaalsContact C-N 3.28Å; L406-T408 PolarHBondContact O-N 3.37Å; T408-R410 PolarHBondContact O-N 2.67Å
409F59Low78.6Confident139 Ų139144 Ų14461%0.6174%0.735SS**  trans-73.994.7176.1-112.6-96.7000110.4L406 S411L406-F409 PolarHBondContact O-N 3.03Å; F409-S411 PolarHBondContact O-N 2.88Å
410R58.1Low77.9Confident219 Ų219146.8 Ų146.883%0.82674%0.739SS**  trans-75.8116.7160.6-70.1-174.6178.6-177.1-0.3107.9T408 F412T408-R410 PolarHBondContact O-N 2.67Å; R410-F412 PolarHBondContact O-N 3.32Å
411S58.1Low77Confident119 Ų119152.5 Ų152.583%0.83275%0.754SS**  trans-56.2114.3163.222.80000108.3F409F409-S411 PolarHBondContact O-N 2.88Å
412F53.9Low75.8Confident274 Ų274147.2 Ų147.2100%1.20274%0.739SS**  trans-78.30165.3-83.3-81.1000110.1R410R410-F412 PolarHBondContact O-N 3.32Å

Retrieved 412 of 412 residues in 712.7 ms (Link to these results)

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