A0A087X9S8_POEFO Loading...

Protein-serine/threonine kinase

AlphaFold DB , UniProt , Accession A0A087X9S8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 407 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
1M39.7Very low40.6Very low218 Ų218122.2 Ų122.2100%1.07460%0.596SS**  0-46.90-91.4-172.2166.700115.6M5M1-M5 PolarHBondContact O-N 2.87Å
2R30.5Very low42.1Very low232 Ų232122.2 Ų122.288%0.87560%0.601SS**Hα-helixtrans-69.2-32.1-178.7-82.6-178.4174.4177.2-1.8115.6C6R2-C6 PolarHBondContact O-N 2.93Å
3I38.7Very low44.5Very low140 Ų140115.5 Ų115.572%0.71857%0.567SS**Hα-helixtrans-70.8-38.6177.6-65.2165.6000111.3M5 C6 L7I3-M5 PolarHBondContact O-N 2.83Å; I3-C6 PolarHBondContact O-N 2.93Å; I3-C6 VanDerWaalsContact O-N 3.17Å; I3-L7 HydrophobicContact CG2-CD1 4.2Å; I3-L7 PolarHBondContact O-N 3.25Å; I3-L7 VanDerWaalsContact O-N 3.16Å
4F36.8Very low47.2Very low80 Ų80114.4 Ų114.435%0.35157%0.573SS.*Hα-helixtrans-63.7-39.7176.5-152.5-97.6000112.1C6 L7 L8 V89 E90F4-C6 VanDerWaalsContact C-N 3.3Å; F4-C6 PolarHBondContact O-N 2.9Å; F4-L7 PolarHBondContact O-N 3.22Å; F4-L8 HydrophobicContact CD1-CD1 3.89Å; F4-L8 HydrophobicContact CD1-CG 4.48Å; F4-L8 HydrophobicContact CE1-CD1 4.13Å; F4-L8 WeakPolarHBondContact O-CG 3.26Å; F4-L8 PolarHBondContact O-N 3.33Å; F4-V89 HydrophobicContact CE2-CG1 3.97Å; F4-V89 HydrophobicContact CZ-CG1 4.2Å; F4-E90 HydrophobicContact CZ-CG 4.45Å
5M35.8Very low50.2Low132 Ų132111.3 Ų111.365%0.6555%0.554SS**Hα-helixtrans-66.2-27.4174.6-78.5-83.7179.500113.7M1 I3M1-M5 PolarHBondContact O-N 2.87Å; I3-M5 PolarHBondContact O-N 2.83Å
6C35Very low52.8Low92 Ų92104.6 Ų104.662%0.62252%0.521SS*.Hα-helixtrans-79.6-37.7178.2-1540000111.6R2 I3 F4 K9R2-C6 PolarHBondContact O-N 2.93Å; I3-C6 PolarHBondContact O-N 2.93Å; I3-C6 VanDerWaalsContact O-N 3.17Å; F4-C6 VanDerWaalsContact C-N 3.3Å; F4-C6 PolarHBondContact O-N 2.9Å; C6-K9 PolarHBondContact O-N 2.95Å
7L42.6Very low55.1Low73 Ų73103.5 Ų103.538%0.38251%0.514SS..Hα-helixtrans-65.7-36.1175.2-75.6160.7000112.6I3 F4 K9 N10I3-L7 HydrophobicContact CG2-CD1 4.2Å; I3-L7 PolarHBondContact O-N 3.25Å; I3-L7 VanDerWaalsContact O-N 3.16Å; F4-L7 PolarHBondContact O-N 3.22Å; L7-K9 PolarHBondContact O-N 3.46Å; L7-N10 PolarHBondContact O-N 3.11Å
8L44.8Very low57.3Low36 Ų36104.2 Ų104.219%0.18851%0.511CS..THydrogen-bonded Turntrans-67.5-17.3176.3-73168.1000114.2F4 M85 Q86F4-L8 HydrophobicContact CD1-CD1 3.89Å; F4-L8 HydrophobicContact CD1-CG 4.48Å; F4-L8 HydrophobicContact CE1-CD1 4.13Å; F4-L8 WeakPolarHBondContact O-CG 3.26Å; F4-L8 PolarHBondContact O-N 3.33Å; L8-M85 HydrophobicContact CD2-CG 4.06Å; L8-Q86 HydrophobicContact CD2-CB 4.09Å
9K42.4Very low59.4Low184 Ų18499.2 Ų99.280%0.849%0.486SS*.THydrogen-bonded Turntrans-83.6-14.1177.8-77.5-174.8177.1-176.30113.5C6 L7C6-K9 PolarHBondContact O-N 2.95Å; L7-K9 PolarHBondContact O-N 3.46Å
10N47.7Very low61.2Low89 Ų8994.4 Ų94.448%0.47646%0.462SS..  trans-102.998.1-174.3-153.3-8.4000110.7L7 N12 H13 M85L7-N10 PolarHBondContact O-N 3.11Å; N10-N12 PolarHBondContact O-N 2.6Å; N10-N12 VanDerWaalsContact O-N 3.1Å; N10-N12 PolarHBondContact OD1-N 3.09Å; N10-H13 PolarHBondContact O-N 3.35Å; N10-M85 VanDerWaalsContact O-CE 3.24Å; N10-M85 WeakPolarHBondContact O-CE 3.35Å
11T52.2Low62.8Low68 Ų6898.4 Ų98.442%0.41747%0.473SS..SBendtrans-63.7-10.1174.149.60000113.2
12N58.3Low65.5Low122 Ų12292.2 Ų92.265%0.65244%0.44SS*.  trans-104.549.5176.2-70.7-26.2000112.3N10N10-N12 PolarHBondContact O-N 2.6Å; N10-N12 VanDerWaalsContact O-N 3.1Å; N10-N12 PolarHBondContact OD1-N 3.09Å
13H74.4Confident68.6Low36 Ų3685.1 Ų85.117%0.16743%0.426CS..  trans-65.3123.8171.2-169.2-74.2000109.3N10 K15 I16 M85N10-H13 PolarHBondContact O-N 3.35Å; H13-K15 WeakPolarHBondContact ND1-CB 3.49Å; H13-K15 PolarHBondContact ND1-N 3.47Å; H13-K15 PolarHBondContact O-N 3.1Å; H13-K15 VanDerWaalsContact O-N 3.09Å; H13-I16 HydrophobicContact CB-CD1 3.75Å; H13-I16 HydrophobicContact CB-CG1 4.03Å; H13-I16 WeakPolarHBondContact O-CB 3.47Å; H13-I16 PolarHBondContact O-N 3.29Å; H13-M85 HydrophobicContact CB-CE 4.46Å; H13-M85 HydrophobicContact CB-SD 4.42Å
14P82.1Confident71.5Confident99 Ų9979 Ų7964%0.64340%0.395SS*.Hα-helixtrans-59.9-29.7-171.621.3-32.8000113.2I16 E17 Y18P14-I16 VanDerWaalsContact C-N 3.28Å; P14-I16 PolarHBondContact O-N 2.94Å; P14-E17 PolarHBondContact O-N 3.08Å; P14-Y18 PolarHBondContact O-N 2.75Å
15K91.4Very high74.4Confident68 Ų6877.6 Ų77.630%0.29640%0.395SS..Hα-helixtrans-64.2-27.2172.9-68.8-85-170.1158.20113.5H13 E17 Y18 Y19 F88 L92 E95H13-K15 WeakPolarHBondContact ND1-CB 3.49Å; H13-K15 PolarHBondContact ND1-N 3.47Å; H13-K15 PolarHBondContact O-N 3.1Å; H13-K15 VanDerWaalsContact O-N 3.09Å; K15-E17 VanDerWaalsContact C-N 3.33Å; K15-E17 PolarHBondContact O-N 3.24Å; K15-Y18 HydrophobicContact CD-CD1 4.36Å; K15-Y18 PolarHBondContact O-N 3.48Å; K15-Y19 HydrophobicContact CB-CD2 4.26Å; K15-Y19 HydrophobicContact CD-CD2 4.45Å; K15-Y19 HydrophobicContact CD-CE2 4.08Å; K15-Y19 WeakPolarHBondContact O-CB 3.49Å; K15-Y19 VanDerWaalsContact O-CD2 3.3Å; K15-Y19 WeakPolarHBondContact O-CD2 3.39Å; K15-Y19 PolarHBondContact O-N 3.22Å; K15-F88 HydrophobicContact CB-CE1 4.06Å; K15-F88 HydrophobicContact CB-CZ 4.04Å; K15-L92 HydrophobicContact CB-CD1 3.89Å; K15-L92 HydrophobicContact CG-CD1 4.11Å; K15-E95 IonicContact NZ-OE1 2.76Å; K15-E95 PolarHBondContact NZ-OE1 2.96Å; K15-E95 IonicContact NZ-OE2 3.34Å; K15-E95 PolarHBondContact NZ-OE2 3.38Å
16I92.8Very high77.3Confident4 Ų474.5 Ų74.52%0.02139%0.385CS..Hα-helixtrans-63.4-44.8176.2-64.6166.9000109.5H13 P14 Y18 Y19 S20 A58 M61 R62 M85 F88H13-I16 HydrophobicContact CB-CD1 3.75Å; H13-I16 HydrophobicContact CB-CG1 4.03Å; H13-I16 WeakPolarHBondContact O-CB 3.47Å; H13-I16 PolarHBondContact O-N 3.29Å; P14-I16 VanDerWaalsContact C-N 3.28Å; P14-I16 PolarHBondContact O-N 2.94Å; I16-Y18 PolarHBondContact O-N 3.08Å; I16-Y19 PolarHBondContact O-N 2.96Å; I16-S20 WeakPolarHBondContact O-CB 3.35Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.11Å; I16-A58 HydrophobicContact CG2-CB 4.31Å; I16-M61 HydrophobicContact CD1-CE 3.52Å; I16-M61 HydrophobicContact CD1-SD 4.46Å; I16-M61 HydrophobicContact CG1-CE 4.24Å; I16-M61 HydrophobicContact CG2-CB 4.38Å; I16-R62 HydrophobicContact CG2-CG 4.15Å; I16-M85 HydrophobicContact CD1-CE 3.49Å; I16-M85 VanDerWaalsContact CD1-CE 3.49Å; I16-M85 HydrophobicContact CD1-SD 4.01Å; I16-F88 HydrophobicContact CG1-CD1 3.97Å; I16-F88 HydrophobicContact CG1-CE1 3.58Å; I16-F88 HydrophobicContact CG1-CZ 4.05Å
17E91.5Very high80.4Confident86 Ų8671.6 Ų71.640%0.40236%0.363SS..Hα-helixtrans-60.9-46.7175.8179.9166.7-168.500111.5P14 K15 Y19 S20 R21P14-E17 PolarHBondContact O-N 3.08Å; K15-E17 VanDerWaalsContact C-N 3.33Å; K15-E17 PolarHBondContact O-N 3.24Å; E17-Y19 PolarHBondContact O-N 3.42Å; E17-S20 PolarHBondContact O-N 3.07Å; E17-S20 PolarHBondContact O-OG 2.92Å; E17-R21 WeakPolarHBondContact O-CG 3.42Å; E17-R21 PolarHBondContact O-N 3.38Å; E17-R21 IonicContact OE1-CZ 3.92Å; E17-R21 IonicContact OE1-NE 3.52Å; E17-R21 IonicContact OE1-NH2 3.62Å; E17-R21 PolarHBondContact OE1-NH2 2.74Å
18Y94.8Very high83Confident117 Ų11768.3 Ų68.346%0.45935%0.346SS..Hα-helixtrans-55.2-53.4175.9175.9-104.2000112.2P14 K15 I16 S20 R21 F22P14-Y18 PolarHBondContact O-N 2.75Å; K15-Y18 HydrophobicContact CD-CD1 4.36Å; K15-Y18 PolarHBondContact O-N 3.48Å; I16-Y18 PolarHBondContact O-N 3.08Å; Y18-S20 PolarHBondContact O-N 3.02Å; Y18-R21 PolarHBondContact O-N 2.77Å; Y18-F22 AromaticContact CD1-CE2 3.88Å; Y18-F22 HydrophobicContact CD1-CE2 3.88Å; Y18-F22 HydrophobicContact CD2-CE2 4.45Å; Y18-F22 AromaticContact CE1-CE2 3.53Å; Y18-F22 HydrophobicContact CE1-CE2 3.53Å; Y18-F22 AromaticContact CE1-CZ 3.93Å; Y18-F22 HydrophobicContact CE1-CZ 3.93Å; Y18-F22 HydrophobicContact CE2-CE2 4.14Å; Y18-F22 AromaticContact CE2-CZ 3.88Å; Y18-F22 HydrophobicContact CE2-CZ 3.88Å; Y18-F22 HydrophobicContact CG-CE2 4.33Å; Y18-F22 AromaticContact CZ-CE2 3.67Å; Y18-F22 AromaticContact CZ-CZ 3.55Å; Y18-F22 WeakPolarHBondContact O-CE2 3.49Å
19Y96.6Very high85.6Confident9 Ų966.6 Ų66.64%0.03534%0.337CS..Hα-helixtrans-70.2-32.9-176.5-84.9-84.8000113.5K15 I16 E17 R21 F22 P54 V55 A58 F88 L92 E95K15-Y19 HydrophobicContact CB-CD2 4.26Å; K15-Y19 HydrophobicContact CD-CD2 4.45Å; K15-Y19 HydrophobicContact CD-CE2 4.08Å; K15-Y19 WeakPolarHBondContact O-CB 3.49Å; K15-Y19 VanDerWaalsContact O-CD2 3.3Å; K15-Y19 WeakPolarHBondContact O-CD2 3.39Å; K15-Y19 PolarHBondContact O-N 3.22Å; I16-Y19 PolarHBondContact O-N 2.96Å; E17-Y19 PolarHBondContact O-N 3.42Å; Y19-R21 PolarHBondContact O-N 3.42Å; Y19-F22 HydrophobicContact CD1-CD2 4.3Å; Y19-F22 PolarHBondContact O-N 2.87Å; Y19-F22 VanDerWaalsContact O-N 3.16Å; Y19-P54 HydrophobicContact CD1-CB 3.72Å; Y19-P54 HydrophobicContact CE1-CB 3.66Å; Y19-P54 HydrophobicContact CE1-CG 4.47Å; Y19-P54 HydrophobicContact CG-CB 4.19Å; Y19-V55 HydrophobicContact CD1-CG2 3.73Å; Y19-V55 HydrophobicContact CE1-CG2 4.36Å; Y19-A58 VanDerWaalsContact CB-CB 3.48Å; Y19-F88 HydrophobicContact CD2-CE2 4.12Å; Y19-F88 AromaticContact CD2-CZ 3.84Å; Y19-F88 HydrophobicContact CD2-CZ 3.84Å; Y19-F88 HydrophobicContact CG-CE2 4.19Å; Y19-F88 HydrophobicContact CG-CZ 4.31Å; Y19-L92 HydrophobicContact CD2-CD2 4.14Å; Y19-L92 HydrophobicContact CE2-CD2 3.37Å; Y19-E95 PolarHBondContact OH-OE1 3.42Å
20S95.5Very high88.2Confident3 Ų362 Ų622%0.02132%0.317CS..Hα-helixtrans-69.5-14179.569.50000114.7I16 E17 Y18 F22 R62I16-S20 WeakPolarHBondContact O-CB 3.35Å; I16-S20 PolarHBondContact O-N 3.41Å; I16-S20 PolarHBondContact O-OG 3.11Å; E17-S20 PolarHBondContact O-N 3.07Å; E17-S20 PolarHBondContact O-OG 2.92Å; Y18-S20 PolarHBondContact O-N 3.02Å; S20-F22 VanDerWaalsContact C-N 3.35Å; S20-R62 WeakPolarHBondContact OG-CG 3.45Å
21R95Very high90.6Very high179 Ų17962 Ų6268%0.67532%0.315SS*.THydrogen-bonded Turntrans-81.3-17.4174.7-68.7171.2-176.2-168.82.3112.3E17 Y18 Y19E17-R21 WeakPolarHBondContact O-CG 3.42Å; E17-R21 PolarHBondContact O-N 3.38Å; E17-R21 IonicContact OE1-CZ 3.92Å; E17-R21 IonicContact OE1-NE 3.52Å; E17-R21 IonicContact OE1-NH2 3.62Å; E17-R21 PolarHBondContact OE1-NH2 2.74Å; Y18-R21 PolarHBondContact O-N 2.77Å; Y19-R21 PolarHBondContact O-N 3.42Å
22F96.9Very high92.7Very high87 Ų8759.4 Ų59.438%0.38230%0.297SS..SBendtrans-79.6142174.2-59.8-65.7000110.5Y18 Y19 S20 V55 N59Y18-F22 AromaticContact CD1-CE2 3.88Å; Y18-F22 HydrophobicContact CD1-CE2 3.88Å; Y18-F22 HydrophobicContact CD2-CE2 4.45Å; Y18-F22 AromaticContact CE1-CE2 3.53Å; Y18-F22 HydrophobicContact CE1-CE2 3.53Å; Y18-F22 AromaticContact CE1-CZ 3.93Å; Y18-F22 HydrophobicContact CE1-CZ 3.93Å; Y18-F22 HydrophobicContact CE2-CE2 4.14Å; Y18-F22 AromaticContact CE2-CZ 3.88Å; Y18-F22 HydrophobicContact CE2-CZ 3.88Å; Y18-F22 HydrophobicContact CG-CE2 4.33Å; Y18-F22 AromaticContact CZ-CE2 3.67Å; Y18-F22 AromaticContact CZ-CZ 3.55Å; Y18-F22 WeakPolarHBondContact O-CE2 3.49Å; Y19-F22 HydrophobicContact CD1-CD2 4.3Å; Y19-F22 PolarHBondContact O-N 2.87Å; Y19-F22 VanDerWaalsContact O-N 3.16Å; S20-F22 VanDerWaalsContact C-N 3.35Å; F22-V55 HydrophobicContact CB-CG1 3.94Å; F22-V55 HydrophobicContact CB-CG2 3.84Å; F22-V55 HydrophobicContact CD2-CG2 4.13Å; F22-V55 HydrophobicContact CG-CG2 4.35Å; F22-N59 PolarHBondContact O-ND2 3.35Å
23S96Very high94.5Very high84 Ų8454.4 Ų54.459%0.58727%0.271SS*.PPolyproline II helixtrans-79.6132171.6-63.30000109.4
24P97.8Very high95.5Very high10 Ų1054.9 Ų54.97%0.06528%0.275CS..PPolyproline II helixtrans-54.5146.1169.6-25.434.3000111.9P26 V55 R56 L368P24-P26 VanDerWaalsContact O-CD 3.25Å; P24-P26 WeakPolarHBondContact O-CD 3.36Å; P24-V55 HydrophobicContact CG-CG1 4.35Å; P24-R56 HydrophobicContact CB-CG 4.26Å; P24-L368 HydrophobicContact CB-CB 4.18Å; P24-L368 HydrophobicContact CB-CD1 3.66Å
25S98.3Very high96.1Very high51 Ų5152.6 Ų52.636%0.35725%0.254SS..  trans-96.7104179.7-45.40000109.3E52 R56S25-E52 VanDerWaalsContact CB-OE2 3.28Å; S25-E52 WeakPolarHBondContact CB-OE2 3.19Å; S25-E52 PolarHBondContact N-OE1 2.86Å; S25-E52 PolarHBondContact N-OE2 2.82Å; S25-E52 PolarHBondContact OG-OE2 3.02Å; S25-R56 PolarHBondContact O-NH2 2.81Å
26P98.1Very high96.1Very high67 Ų6749.8 Ų49.844%0.43525%0.245SC..  trans-74.4133.9178.730.7-34.5000111.1P24 E366 L368P24-P26 VanDerWaalsContact O-CD 3.25Å; P24-P26 WeakPolarHBondContact O-CD 3.36Å; P26-E366 HydrophobicContact CB-CB 3.97Å; P26-E366 VanDerWaalsContact CB-O 3.27Å; P26-E366 WeakPolarHBondContact CB-O 3.49Å; P26-L368 HydrophobicContact CB-CD1 4.15Å
27L98.3Very high95.8Very high31 Ų3158.1 Ų58.116%0.16228%0.276CS..  trans-104.1148.5173.6-62.5176.8000111.1F32 F48 L164 E366L27-F32 HydrophobicContact CB-CD2 4.16Å; L27-F32 HydrophobicContact CB-CE1 4.49Å; L27-F32 HydrophobicContact CB-CE2 3.63Å; L27-F32 HydrophobicContact CB-CZ 3.83Å; L27-F32 HydrophobicContact CD1-CD1 4.27Å; L27-F32 HydrophobicContact CD1-CE1 3.6Å; L27-F32 HydrophobicContact CD1-CE2 4.24Å; L27-F32 HydrophobicContact CD1-CZ 3.59Å; L27-F32 HydrophobicContact CG-CZ 4.31Å; L27-F48 HydrophobicContact CD1-CE1 3.8Å; L27-F48 HydrophobicContact CD1-CZ 3.85Å; L27-F48 HydrophobicContact CD2-CZ 4.3Å; L27-F48 HydrophobicContact CG-CZ 4.17Å; L27-L164 HydrophobicContact CD1-CD2 4.06Å; L27-E366 PolarHBondContact N-OE2 3.12Å; L27-E366 WeakPolarHBondContact O-CG 3Å; L27-E366 PolarHBondContact O-N 2.76Å
28S98.6Very high95.5Very high5 Ų560.7 Ų60.74%0.03529%0.288CS..BIsolated β-bridgetrans-86.7157.1167.367.40000112.3K30 Q31 F32 S364S28-K30 PolarHBondContact O-N 3.08Å; S28-Q31 PolarHBondContact O-N 3.1Å; S28-Q31 WeakPolarHBondContact OG-CG 3.2Å; S28-Q31 PolarHBondContact OG-N 3.24Å; S28-Q31 VanDerWaalsContact OG-N 3.08Å; S28-Q31 PolarHBondContact OG-OE1 2.84Å; S28-F32 VanDerWaalsContact O-CD2 3.31Å; S28-F32 WeakPolarHBondContact O-CD2 3.16Å; S28-F32 PolarHBondContact O-N 2.52Å; S28-S364 CarbonylContact C-O 3.52Å; S28-S364 VanDerWaalsContact CA-O 3.25Å; S28-S364 WeakPolarHBondContact CA-O 3.45Å
29I98.4Very high94.8Very high0 Ų060.1 Ų60.10%029%0.293CS..Hα-helixtrans-54-38.5168.6-65.6-176.7000110.2F32 L33 I187 V235 Y236 F337 S364I29-F32 PolarHBondContact O-N 2.77Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 PolarHBondContact O-N 3.02Å; I29-I187 HydrophobicContact CG2-CD1 4.28Å; I29-I187 HydrophobicContact CG2-CG2 4.21Å; I29-V235 HydrophobicContact CG2-CB 4.38Å; I29-V235 HydrophobicContact CG2-CG1 3.51Å; I29-Y236 HydrophobicContact CD1-CD2 3.66Å; I29-Y236 HydrophobicContact CD1-CE2 3.91Å; I29-F337 HydrophobicContact CD1-CB 4.32Å; I29-F337 HydrophobicContact CD1-CD1 4.19Å; I29-F337 HydrophobicContact CD1-CD2 3.81Å; I29-F337 HydrophobicContact CD1-CE1 4.46Å; I29-F337 HydrophobicContact CD1-CE2 4.08Å; I29-F337 HydrophobicContact CD1-CG 3.86Å; I29-F337 HydrophobicContact CD1-CZ 4.41Å; I29-F337 HydrophobicContact CG1-CD1 3.79Å; I29-F337 HydrophobicContact CG1-CD2 4.12Å; I29-F337 HydrophobicContact CG1-CE1 3.73Å; I29-F337 HydrophobicContact CG1-CE2 4.05Å; I29-F337 HydrophobicContact CG1-CG 4Å; I29-F337 HydrophobicContact CG1-CZ 3.86Å; I29-S364 PolarHBondContact N-O 3.4Å
30K97.8Very high94.2Very high86 Ų8662.4 Ų62.437%0.37431%0.314SS..Hα-helixtrans-58.5-47.5174.1175.6167.6174.350.90112.1S28 F32 L33 D34 S361S28-K30 PolarHBondContact O-N 3.08Å; K30-F32 PolarHBondContact O-N 3.1Å; K30-L33 PolarHBondContact O-N 3.44Å; K30-D34 VanDerWaalsContact CE-OD2 3.28Å; K30-D34 WeakPolarHBondContact CE-OD2 3.34Å; K30-D34 VanDerWaalsContact CG-OD2 3.25Å; K30-D34 WeakPolarHBondContact CG-OD2 3.32Å; K30-D34 VanDerWaalsContact NZ-CG 3.31Å; K30-D34 IonicContact NZ-OD1 2.78Å; K30-D34 PolarHBondContact NZ-OD1 3.23Å; K30-D34 VanDerWaalsContact NZ-OD1 3.11Å; K30-D34 IonicContact NZ-OD2 3.37Å; K30-D34 PolarHBondContact NZ-OD2 3.35Å; K30-D34 WeakPolarHBondContact O-CB 3.14Å; K30-D34 PolarHBondContact O-N 3.39Å; K30-S361 PolarHBondContact N-O 3.47Å; K30-S361 VanDerWaalsContact N-O 3.09Å
31Q97.9Very high94.1Very high90 Ų9064.8 Ų64.842%0.42133%0.33SS..Hα-helixtrans-62.4-41.1178.3-73.4171.4-63.400112.3S28 L33 F35S28-Q31 PolarHBondContact O-N 3.1Å; S28-Q31 WeakPolarHBondContact OG-CG 3.2Å; S28-Q31 PolarHBondContact OG-N 3.24Å; S28-Q31 VanDerWaalsContact OG-N 3.08Å; S28-Q31 PolarHBondContact OG-OE1 2.84Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; Q31-F35 WeakPolarHBondContact O-CB 3.41Å; Q31-F35 PolarHBondContact O-N 2.96Å
32F97.3Very high94Very high13 Ų1358.9 Ų58.96%0.05731%0.31CS..Hα-helixtrans-61.1-43.5174.1-77.5-65.1000112.3L27 S28 I29 K30 G36 M163 L164 Q167 I187 E366L27-F32 HydrophobicContact CB-CD2 4.16Å; L27-F32 HydrophobicContact CB-CE1 4.49Å; L27-F32 HydrophobicContact CB-CE2 3.63Å; L27-F32 HydrophobicContact CB-CZ 3.83Å; L27-F32 HydrophobicContact CD1-CD1 4.27Å; L27-F32 HydrophobicContact CD1-CE1 3.6Å; L27-F32 HydrophobicContact CD1-CE2 4.24Å; L27-F32 HydrophobicContact CD1-CZ 3.59Å; L27-F32 HydrophobicContact CG-CZ 4.31Å; S28-F32 VanDerWaalsContact O-CD2 3.31Å; S28-F32 WeakPolarHBondContact O-CD2 3.16Å; S28-F32 PolarHBondContact O-N 2.52Å; I29-F32 PolarHBondContact O-N 2.77Å; K30-F32 PolarHBondContact O-N 3.1Å; F32-G36 PolarHBondContact O-N 2.85Å; F32-M163 HydrophobicContact CD2-CE 4.1Å; F32-M163 HydrophobicContact CE2-CE 4.19Å; F32-M163 HydrophobicContact CE2-CG 4.33Å; F32-M163 HydrophobicContact CG-CE 4.35Å; F32-M163 HydrophobicContact CZ-CG 4.13Å; F32-L164 HydrophobicContact CE1-CD2 3.76Å; F32-L164 HydrophobicContact CZ-CD2 3.74Å; F32-Q167 HydrophobicContact CD1-CG 3.85Å; F32-Q167 HydrophobicContact CE1-CG 4.01Å; F32-I187 HydrophobicContact CB-CD1 3.36Å; F32-I187 HydrophobicContact CD2-CD1 4.47Å; F32-I187 HydrophobicContact CG-CD1 4.12Å; F32-E366 HydrophobicContact CE2-CG 4.45Å
33L95.1Very high93.9Very high17 Ų1759 Ų599%0.08931%0.31CS..Hα-helixtrans-68-50.3-179.1-175.669000111.6I29 K30 Q31 F35 G36 R37 I184 I187 P189 V235I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 PolarHBondContact O-N 3.02Å; K30-L33 PolarHBondContact O-N 3.44Å; Q31-L33 VanDerWaalsContact C-N 3.34Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.19Å; L33-G36 PolarHBondContact O-N 3.21Å; L33-R37 VanDerWaalsContact O-CB 3.23Å; L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 3.18Å; L33-I184 HydrophobicContact CD1-CB 3.89Å; L33-I184 HydrophobicContact CD1-CG1 3.68Å; L33-I184 HydrophobicContact CD1-CG2 4.36Å; L33-I187 HydrophobicContact CD1-CG2 4.49Å; L33-P189 HydrophobicContact CD1-CB 4.21Å; L33-V235 HydrophobicContact CD2-CG1 3.98Å
34D95.4Very high93.9Very high47 Ų4758.9 Ų58.925%0.25131%0.306SS..Hα-helixtrans-60-41.8179.3-64.9-10.7000110.1K30 E38K30-D34 VanDerWaalsContact CE-OD2 3.28Å; K30-D34 WeakPolarHBondContact CE-OD2 3.34Å; K30-D34 VanDerWaalsContact CG-OD2 3.25Å; K30-D34 WeakPolarHBondContact CG-OD2 3.32Å; K30-D34 VanDerWaalsContact NZ-CG 3.31Å; K30-D34 IonicContact NZ-OD1 2.78Å; K30-D34 PolarHBondContact NZ-OD1 3.23Å; K30-D34 VanDerWaalsContact NZ-OD1 3.11Å; K30-D34 IonicContact NZ-OD2 3.37Å; K30-D34 PolarHBondContact NZ-OD2 3.35Å; K30-D34 WeakPolarHBondContact O-CB 3.14Å; K30-D34 PolarHBondContact O-N 3.39Å; D34-E38 WeakPolarHBondContact O-CB 3.48Å; D34-E38 PolarHBondContact O-N 2.96Å
35F94.9Very high93.8Very high50 Ų5059.1 Ų59.122%0.21931%0.308CS..Hα-helixtrans-59.9-54.3174.8176.6-98.6000112Q31 L33 R37 N39 A40 C41 T44 L171 F172Q31-F35 WeakPolarHBondContact O-CB 3.41Å; Q31-F35 PolarHBondContact O-N 2.96Å; L33-F35 VanDerWaalsContact C-N 3.29Å; L33-F35 PolarHBondContact O-N 3.19Å; F35-R37 VanDerWaalsContact C-N 3.3Å; F35-R37 PolarHBondContact O-N 3.38Å; F35-N39 VanDerWaalsContact CE2-O 3.26Å; F35-N39 WeakPolarHBondContact CE2-O 3.32Å; F35-N39 CarbonylContact O-C 3.59Å; F35-N39 WeakPolarHBondContact O-CA 3.33Å; F35-N39 PolarHBondContact O-N 2.92Å; F35-N39 VanDerWaalsContact O-N 3.07Å; F35-A40 WeakPolarHBondContact O-CA 3.48Å; F35-A40 PolarHBondContact O-N 2.97Å; F35-C41 WeakPolarHBondContact CZ-O 3.43Å; F35-T44 HydrophobicContact CE2-CG2 4.01Å; F35-L171 HydrophobicContact CD1-CD1 4.24Å; F35-L171 HydrophobicContact CE1-CD1 4.16Å; F35-F172 HydrophobicContact CE1-CE2 4.16Å; F35-F172 AromaticContact CE1-CZ 3.9Å; F35-F172 HydrophobicContact CE1-CZ 3.9Å; F35-F172 HydrophobicContact CZ-CE2 4.41Å; F35-F172 AromaticContact CZ-CZ 3.97Å; F35-F172 HydrophobicContact CZ-CZ 3.97Å
36G90.4Very high93.8Very high9 Ų956.7 Ų56.79%0.09329%0.291CS..Hα-helixtrans-73-19.7-175.300000114.5F32 L33 I184F32-G36 PolarHBondContact O-N 2.85Å; L33-G36 PolarHBondContact O-N 3.21Å; G36-I184 VanDerWaalsContact CA-CG2 3.48Å
37R87.8Confident93.8Very high180 Ų18057.2 Ų57.268%0.67929%0.288SS*.Hα-helixtrans-92.2-44.3179.6-167.1-178.7-156.1176.67.9113.4L33 F35L33-R37 VanDerWaalsContact O-CB 3.23Å; L33-R37 WeakPolarHBondContact O-CB 3.46Å; L33-R37 PolarHBondContact O-N 3.18Å; F35-R37 VanDerWaalsContact C-N 3.3Å; F35-R37 PolarHBondContact O-N 3.38Å
38E85Confident93.7Very high140 Ų14058.7 Ų58.765%0.65429%0.294SS*.Hα-helixtrans-106.7-31.6-169.7-60179.9179.700112.6D34D34-E38 WeakPolarHBondContact O-CB 3.48Å; D34-E38 PolarHBondContact O-N 2.96Å
39N79.9Confident93.7Very high104 Ų10458.6 Ų58.656%0.55629%0.293SS*.  trans-132.737.8-167-70.7-56.9000112.2F35 C41F35-N39 VanDerWaalsContact CE2-O 3.26Å; F35-N39 WeakPolarHBondContact CE2-O 3.32Å; F35-N39 CarbonylContact O-C 3.59Å; F35-N39 WeakPolarHBondContact O-CA 3.33Å; F35-N39 PolarHBondContact O-N 2.92Å; F35-N39 VanDerWaalsContact O-N 3.07Å; N39-C41 PolarHBondContact O-N 3.48Å
40A83.5Confident93.6Very high57 Ų5759.8 Ų59.847%0.47130%0.297SS..  trans-65.971.2-176.600000111.6F35 F172F35-A40 WeakPolarHBondContact O-CA 3.48Å; F35-A40 PolarHBondContact O-N 2.97Å; A40-F172 HydrophobicContact CB-CE1 4.42Å
41C93.2Very high93.6Very high53 Ų5361.5 Ų61.536%0.35831%0.305SS..  trans-106.6107.8-176.1-178.80000108.4F35 N39 K43 T44 S45F35-C41 WeakPolarHBondContact CZ-O 3.43Å; N39-C41 PolarHBondContact O-N 3.48Å; C41-K43 VanDerWaalsContact C-N 3.26Å; C41-K43 PolarHBondContact O-N 3.15Å; C41-T44 WeakPolarHBondContact O-CB 3.08Å; C41-T44 PolarHBondContact O-N 3.13Å; C41-T44 VanDerWaalsContact O-N 3.07Å; C41-S45 PolarHBondContact O-N 3.12Å; C41-S45 VanDerWaalsContact O-N 3.1Å
42E94.2Very high93.6Very high55 Ų5557.6 Ų57.626%0.25729%0.286SS..Hα-helixtrans-56.2-41.6-178.1-170.6178.7-171.200112T44 S45 Y46 L105 F172E42-T44 VanDerWaalsContact C-N 3.33Å; E42-T44 PolarHBondContact O-N 3.4Å; E42-S45 WeakPolarHBondContact O-CB 3.33Å; E42-S45 PolarHBondContact O-N 3.19Å; E42-S45 VanDerWaalsContact O-N 3.15Å; E42-Y46 WeakPolarHBondContact O-CB 3.5Å; E42-Y46 PolarHBondContact O-N 3.25Å; E42-L105 HydrophobicContact CB-CD1 4.5Å; E42-L105 HydrophobicContact CG-CD1 4.18Å; E42-L105 HydrophobicContact CG-CD2 4.43Å; E42-F172 HydrophobicContact CB-CD1 3.65Å; E42-F172 HydrophobicContact CB-CD2 4.39Å; E42-F172 HydrophobicContact CB-CE1 3.82Å; E42-F172 HydrophobicContact CB-CG 3.96Å; E42-F172 HydrophobicContact CB-CZ 4.27Å; E42-F172 HydrophobicContact CG-CB 4.05Å; E42-F172 HydrophobicContact CG-CD1 3.99Å; E42-F172 HydrophobicContact CG-CD2 4.12Å; E42-F172 HydrophobicContact CG-CG 3.77Å
43K94.8Very high93.7Very high91 Ų9157 Ų5740%0.39628%0.283SS..Hα-helixtrans-57.4-44.8176.5-65.6-174.5176.8-178.30111.9C41 Y46 M47 A99 L105C41-K43 VanDerWaalsContact C-N 3.26Å; C41-K43 PolarHBondContact O-N 3.15Å; K43-Y46 PolarHBondContact O-N 3.21Å; K43-M47 WeakPolarHBondContact O-CB 3.4Å; K43-M47 WeakPolarHBondContact O-CG 3.33Å; K43-M47 PolarHBondContact O-N 3.07Å; K43-A99 HydrophobicContact CB-CB 4.22Å; K43-A99 HydrophobicContact CD-CB 4.31Å; K43-A99 HydrophobicContact CG-CB 4.07Å; K43-L105 HydrophobicContact CG-CD1 4.04Å
44T95.1Very high93.8Very high81 Ų8156.1 Ų56.150%0.49728%0.279SS..Hα-helixtrans-63.5-43.8177.6-59.30000111.1F35 C41 E42 M47 F48F35-T44 HydrophobicContact CE2-CG2 4.01Å; C41-T44 WeakPolarHBondContact O-CB 3.08Å; C41-T44 PolarHBondContact O-N 3.13Å; C41-T44 VanDerWaalsContact O-N 3.07Å; E42-T44 VanDerWaalsContact C-N 3.33Å; E42-T44 PolarHBondContact O-N 3.4Å; T44-M47 PolarHBondContact O-N 3.27Å; T44-F48 PolarHBondContact O-N 3.4Å; T44-F48 VanDerWaalsContact O-N 3.12Å
45S96.9Very high93.9Very high14 Ų1454.4 Ų54.410%0.09827%0.27CS..Hα-helixtrans-61.5-48.5176.5-167.20000111.9C41 E42 M47 F48 L49 H168C41-S45 PolarHBondContact O-N 3.12Å; C41-S45 VanDerWaalsContact O-N 3.1Å; E42-S45 WeakPolarHBondContact O-CB 3.33Å; E42-S45 PolarHBondContact O-N 3.19Å; E42-S45 VanDerWaalsContact O-N 3.15Å; S45-M47 PolarHBondContact O-N 3.33Å; S45-F48 PolarHBondContact O-N 3.18Å; S45-L49 WeakPolarHBondContact O-CB 3.49Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.46Å; S45-L49 PolarHBondContact O-N 3.36Å; S45-H168 WeakPolarHBondContact CB-ND1 3.49Å; S45-H168 PolarHBondContact OG-ND1 2.91Å
46Y97.6Very high94.1Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-56.1-49.1175.5163.7-106.1000112E42 K43 F48 L49 R50 F94 R97 A99 T104 L105 F108E42-Y46 WeakPolarHBondContact O-CB 3.5Å; E42-Y46 PolarHBondContact O-N 3.25Å; K43-Y46 PolarHBondContact O-N 3.21Å; Y46-F48 VanDerWaalsContact C-N 3.26Å; Y46-F48 PolarHBondContact O-N 3.28Å; Y46-L49 PolarHBondContact O-N 3.23Å; Y46-R50 HydrophobicContact CD2-CB 4.47Å; Y46-R50 VanDerWaalsContact CE1-NH1 3.29Å; Y46-R50 HydrophobicContact CE2-CB 4.13Å; Y46-R50 VanDerWaalsContact CZ-CD 3.45Å; Y46-R50 WeakPolarHBondContact O-CB 3.37Å; Y46-R50 VanDerWaalsContact O-CG 3.28Å; Y46-R50 WeakPolarHBondContact O-CG 3.31Å; Y46-R50 PolarHBondContact O-N 2.98Å; Y46-R50 PolarHBondContact OH-NH1 2.88Å; Y46-F94 HydrophobicContact CE2-CB 4.19Å; Y46-F94 AromaticContact CE2-CD1 3.98Å; Y46-F94 HydrophobicContact CE2-CD1 3.98Å; Y46-F94 HydrophobicContact CE2-CG 4.46Å; Y46-F94 PolarHBondContact OH-O 2.8Å; Y46-F94 VanDerWaalsContact OH-O 3.1Å; Y46-R97 PolarHBondContact OH-O 3.33Å; Y46-A99 HydrophobicContact CD1-CB 3.76Å; Y46-A99 HydrophobicContact CE1-CB 3.92Å; Y46-T104 HydrophobicContact CE1-CG2 4.05Å; Y46-T104 HydrophobicContact CE2-CG2 3.94Å; Y46-T104 WeakPolarHBondContact OH-CG2 3.11Å; Y46-L105 HydrophobicContact CD1-CD2 3.9Å; Y46-L105 HydrophobicContact CD2-CD2 4.33Å; Y46-L105 HydrophobicContact CG-CD2 3.7Å; Y46-F108 HydrophobicContact CD2-CB 3.99Å; Y46-F108 AromaticContact CD2-CD1 3.61Å; Y46-F108 HydrophobicContact CD2-CD1 3.61Å; Y46-F108 AromaticContact CD2-CD2 3.94Å; Y46-F108 HydrophobicContact CD2-CD2 3.94Å; Y46-F108 AromaticContact CD2-CE1 3.96Å; Y46-F108 HydrophobicContact CD2-CE1 3.96Å; Y46-F108 HydrophobicContact CD2-CE2 4.29Å; Y46-F108 AromaticContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CZ 4.29Å; Y46-F108 HydrophobicContact CE2-CB 4.15Å; Y46-F108 HydrophobicContact CE2-CD1 4.38Å; Y46-F108 AromaticContact CE2-CD2 3.9Å; Y46-F108 HydrophobicContact CE2-CD2 3.9Å; Y46-F108 HydrophobicContact CE2-CE2 4.36Å; Y46-F108 AromaticContact CE2-CG 3.9Å; Y46-F108 HydrophobicContact CE2-CG 3.9Å
47M96.8Very high94.4Very high78 Ų7851.6 Ų51.638%0.38426%0.256SS..Hα-helixtrans-61.3-34.8-178.7-72.1-63.7-67.200112.8K43 T44 S45 R50 A99K43-M47 WeakPolarHBondContact O-CB 3.4Å; K43-M47 WeakPolarHBondContact O-CG 3.33Å; K43-M47 PolarHBondContact O-N 3.07Å; T44-M47 PolarHBondContact O-N 3.27Å; S45-M47 PolarHBondContact O-N 3.33Å; M47-R50 PolarHBondContact SD-NE 3.26Å; M47-R50 PolarHBondContact SD-NH2 3.45Å; M47-A99 HydrophobicContact SD-CB 4.37Å
48F97.8Very high94.9Very high63 Ų6343 Ų4328%0.27622%0.223SC..Hα-helixtrans-72.5-55.7173.1176.4-103.2000111.4L27 T44 S45 Y46 R50 K51 E52 L164L27-F48 HydrophobicContact CD1-CE1 3.8Å; L27-F48 HydrophobicContact CD1-CZ 3.85Å; L27-F48 HydrophobicContact CD2-CZ 4.3Å; L27-F48 HydrophobicContact CG-CZ 4.17Å; T44-F48 PolarHBondContact O-N 3.4Å; T44-F48 VanDerWaalsContact O-N 3.12Å; S45-F48 PolarHBondContact O-N 3.18Å; Y46-F48 VanDerWaalsContact C-N 3.26Å; Y46-F48 PolarHBondContact O-N 3.28Å; F48-R50 PolarHBondContact O-N 3.4Å; F48-K51 PolarHBondContact O-N 3.2Å; F48-K51 VanDerWaalsContact O-N 3.14Å; F48-E52 HydrophobicContact CD1-CB 4.32Å; F48-E52 HydrophobicContact CE1-CB 3.94Å; F48-E52 HydrophobicContact CE1-CG 3.88Å; F48-E52 HydrophobicContact CE2-CB 4.24Å; F48-E52 HydrophobicContact CE2-CG 4.33Å; F48-E52 HydrophobicContact CZ-CB 3.9Å; F48-E52 HydrophobicContact CZ-CG 3.65Å; F48-E52 WeakPolarHBondContact O-CB 3.25Å; F48-E52 PolarHBondContact O-N 3.39Å; F48-L164 HydrophobicContact CE1-CD1 4.47Å; F48-L164 HydrophobicContact CE1-CD2 4.06Å
49L98.1Very high95.5Very high3 Ų336.4 Ų36.42%0.01619%0.192CC..Hα-helixtrans-66.4-36.9-171.2-68.9178.5000113.8S45 Y46 K51 E52 L53 F108 L112 L164 H168S45-L49 WeakPolarHBondContact O-CB 3.49Å; S45-L49 VanDerWaalsContact O-CG 3.28Å; S45-L49 WeakPolarHBondContact O-CG 3.46Å; S45-L49 PolarHBondContact O-N 3.36Å; Y46-L49 PolarHBondContact O-N 3.23Å; L49-K51 PolarHBondContact O-N 2.88Å; L49-K51 VanDerWaalsContact O-N 3.08Å; L49-E52 PolarHBondContact O-N 3.4Å; L49-L53 HydrophobicContact CB-CD1 4.08Å; L49-L53 HydrophobicContact CB-CG 4.3Å; L49-L53 HydrophobicContact CD2-CD1 4.49Å; L49-L53 HydrophobicContact CD2-CD2 4.43Å; L49-L53 HydrophobicContact CD2-CG 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.33Å; L49-L53 WeakPolarHBondContact O-CG 3.26Å; L49-L53 PolarHBondContact O-N 2.84Å; L49-F108 HydrophobicContact CB-CE1 3.98Å; L49-F108 HydrophobicContact CB-CZ 3.8Å; L49-F108 HydrophobicContact CD1-CE1 4.4Å; L49-L112 HydrophobicContact CD1-CD1 4.24Å; L49-L164 HydrophobicContact CD2-CB 3.73Å; L49-L164 HydrophobicContact CD2-CD1 3.85Å; L49-L164 HydrophobicContact CD2-CD2 4.02Å; L49-L164 HydrophobicContact CD2-CG 4.08Å; L49-H168 HydrophobicContact CD1-CB 3.56Å
50R96.9Very high96.3Very high25 Ų2531.7 Ų31.79%0.09417%0.167CC..Hα-helixtrans-61.5-18.517777.5-172-168.6159.27.7113.3Y46 M47 F48 P54 F94 R97 F108Y46-R50 HydrophobicContact CD2-CB 4.47Å; Y46-R50 VanDerWaalsContact CE1-NH1 3.29Å; Y46-R50 HydrophobicContact CE2-CB 4.13Å; Y46-R50 VanDerWaalsContact CZ-CD 3.45Å; Y46-R50 WeakPolarHBondContact O-CB 3.37Å; Y46-R50 VanDerWaalsContact O-CG 3.28Å; Y46-R50 WeakPolarHBondContact O-CG 3.31Å; Y46-R50 PolarHBondContact O-N 2.98Å; Y46-R50 PolarHBondContact OH-NH1 2.88Å; M47-R50 PolarHBondContact SD-NE 3.26Å; M47-R50 PolarHBondContact SD-NH2 3.45Å; F48-R50 PolarHBondContact O-N 3.4Å; R50-P54 WeakPolarHBondContact O-CD 3.48Å; R50-P54 WeakPolarHBondContact O-CG 3.17Å; R50-F94 HydrophobicContact CB-CB 4.43Å; R50-R97 PolarHBondContact NH1-O 3.46Å; R50-F108 HydrophobicContact CB-CE2 4.2Å; R50-F108 HydrophobicContact CB-CZ 4.39Å
51K96.6Very high96.9Very high122 Ų12229.6 Ų29.653%0.5315%0.148SC..Hα-helixtrans-100.8-47.8173.7-69.3-176.5175.5-177.70111.5F48 L49 P54 V55F48-K51 PolarHBondContact O-N 3.2Å; F48-K51 VanDerWaalsContact O-N 3.14Å; L49-K51 PolarHBondContact O-N 2.88Å; L49-K51 VanDerWaalsContact O-N 3.08Å; K51-P54 WeakPolarHBondContact O-CD 3.42Å; K51-V55 WeakPolarHBondContact O-CG2 3.43Å; K51-V55 PolarHBondContact O-N 2.89Å
52E98.4Very high97Very high7 Ų730.5 Ų30.53%0.03314%0.143CC..Hα-helixtrans-66.7-40.7-173.8-175.362.9-15900112.5S25 F48 L49 V55 R56 L164S25-E52 VanDerWaalsContact CB-OE2 3.28Å; S25-E52 WeakPolarHBondContact CB-OE2 3.19Å; S25-E52 PolarHBondContact N-OE1 2.86Å; S25-E52 PolarHBondContact N-OE2 2.82Å; S25-E52 PolarHBondContact OG-OE2 3.02Å; F48-E52 HydrophobicContact CD1-CB 4.32Å; F48-E52 HydrophobicContact CE1-CB 3.94Å; F48-E52 HydrophobicContact CE1-CG 3.88Å; F48-E52 HydrophobicContact CE2-CB 4.24Å; F48-E52 HydrophobicContact CE2-CG 4.33Å; F48-E52 HydrophobicContact CZ-CB 3.9Å; F48-E52 HydrophobicContact CZ-CG 3.65Å; F48-E52 WeakPolarHBondContact O-CB 3.25Å; F48-E52 PolarHBondContact O-N 3.39Å; L49-E52 PolarHBondContact O-N 3.4Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 3.06Å; E52-R56 HydrophobicContact CG-CG 4.47Å; E52-R56 WeakPolarHBondContact O-CG 3.45Å; E52-R56 PolarHBondContact O-N 2.71Å; E52-R56 IonicContact OE1-CZ 2.67Å; E52-R56 IonicContact OE1-NE 2.72Å; E52-R56 PolarHBondContact OE1-NE 2.8Å; E52-R56 IonicContact OE1-NH2 3.59Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å; E52-L164 HydrophobicContact CG-CD1 3.86Å
53L98.4Very high97.1Very high0 Ų028 Ų280%013%0.132CC..Hα-helixtrans-64.2-47.2-179.2-64174.7000112.1L49 V55 R56 L57 L91 F108 L112 F161 L164 I165L49-L53 HydrophobicContact CB-CD1 4.08Å; L49-L53 HydrophobicContact CB-CG 4.3Å; L49-L53 HydrophobicContact CD2-CD1 4.49Å; L49-L53 HydrophobicContact CD2-CD2 4.43Å; L49-L53 HydrophobicContact CD2-CG 4.25Å; L49-L53 WeakPolarHBondContact O-CB 3.33Å; L49-L53 WeakPolarHBondContact O-CG 3.26Å; L49-L53 PolarHBondContact O-N 2.84Å; L53-V55 VanDerWaalsContact C-N 3.35Å; L53-V55 PolarHBondContact O-N 2.91Å; L53-R56 PolarHBondContact O-N 2.83Å; L53-L57 WeakPolarHBondContact O-CG 3.29Å; L53-L57 PolarHBondContact O-N 2.79Å; L53-L91 HydrophobicContact CB-CD1 3.72Å; L53-L91 HydrophobicContact CD1-CD1 4.48Å; L53-L91 HydrophobicContact CD1-CD2 4.16Å; L53-F108 HydrophobicContact CD1-CZ 4.47Å; L53-L112 HydrophobicContact CD1-CD2 3.49Å; L53-L112 VanDerWaalsContact CD1-CD2 3.49Å; L53-F161 HydrophobicContact CB-CE2 3.92Å; L53-F161 HydrophobicContact CD2-CD2 3.55Å; L53-F161 HydrophobicContact CD2-CE2 3.57Å; L53-F161 HydrophobicContact CD2-CG 4.4Å; L53-F161 HydrophobicContact CD2-CZ 4.44Å; L53-F161 HydrophobicContact CG-CE2 4.23Å; L53-L164 HydrophobicContact CD2-CB 4.03Å; L53-L164 HydrophobicContact CD2-CD1 3.83Å; L53-I165 HydrophobicContact CD1-CG1 4.29Å; L53-I165 HydrophobicContact CD2-CG1 4.37Å
54P98.1Very high97Very high0 Ų024.1 Ų24.10%012%0.116CC..Hα-helixtrans-57.9-39.4170.1-29.537000114.5Y19 R50 K51 L57 A58 F88 L91Y19-P54 HydrophobicContact CD1-CB 3.72Å; Y19-P54 HydrophobicContact CE1-CB 3.66Å; Y19-P54 HydrophobicContact CE1-CG 4.47Å; Y19-P54 HydrophobicContact CG-CB 4.19Å; R50-P54 WeakPolarHBondContact O-CD 3.48Å; R50-P54 WeakPolarHBondContact O-CG 3.17Å; K51-P54 WeakPolarHBondContact O-CD 3.42Å; P54-L57 PolarHBondContact O-N 2.86Å; P54-A58 VanDerWaalsContact O-CB 3.22Å; P54-A58 WeakPolarHBondContact O-CB 3.38Å; P54-A58 PolarHBondContact O-N 3Å; P54-F88 HydrophobicContact CB-CD2 4.14Å; P54-F88 HydrophobicContact CB-CE2 3.84Å; P54-L91 HydrophobicContact CG-CB 3.9Å; P54-L91 HydrophobicContact CG-CD1 4.47Å
55V98.3Very high96.8Very high10 Ų1022.8 Ų22.86%0.06111%0.105CC..Hα-helixtrans-59.8-50.7176.3170.40000110.5Y19 F22 P24 K51 E52 L53 A58 N59Y19-V55 HydrophobicContact CD1-CG2 3.73Å; Y19-V55 HydrophobicContact CE1-CG2 4.36Å; F22-V55 HydrophobicContact CB-CG1 3.94Å; F22-V55 HydrophobicContact CB-CG2 3.84Å; F22-V55 HydrophobicContact CD2-CG2 4.13Å; F22-V55 HydrophobicContact CG-CG2 4.35Å; P24-V55 HydrophobicContact CG-CG1 4.35Å; K51-V55 WeakPolarHBondContact O-CG2 3.43Å; K51-V55 PolarHBondContact O-N 2.89Å; E52-V55 WeakPolarHBondContact O-CB 3.47Å; E52-V55 PolarHBondContact O-N 3.06Å; L53-V55 VanDerWaalsContact C-N 3.35Å; L53-V55 PolarHBondContact O-N 2.91Å; V55-A58 PolarHBondContact O-N 3.14Å; V55-N59 PolarHBondContact O-N 2.82Å; V55-N59 PolarHBondContact O-ND2 3.46Å
56R98.4Very high96.6Very high0 Ų023.7 Ų23.70%011%0.109CC..Hα-helixtrans-62.3-44.6179.8-69.8-172.8-171.1-1634.6111.8P24 S25 E52 L53 T60 N157 S160 L164 E366P24-R56 HydrophobicContact CB-CG 4.26Å; S25-R56 PolarHBondContact O-NH2 2.81Å; E52-R56 HydrophobicContact CG-CG 4.47Å; E52-R56 WeakPolarHBondContact O-CG 3.45Å; E52-R56 PolarHBondContact O-N 2.71Å; E52-R56 IonicContact OE1-CZ 2.67Å; E52-R56 IonicContact OE1-NE 2.72Å; E52-R56 PolarHBondContact OE1-NE 2.8Å; E52-R56 IonicContact OE1-NH2 3.59Å; E52-R56 PolarHBondContact OE1-NH2 2.96Å; L53-R56 PolarHBondContact O-N 2.83Å; R56-T60 PolarHBondContact O-N 2.9Å; R56-N157 PolarHBondContact O-ND2 3.46Å; R56-S160 PolarHBondContact NH1-OG 2.73Å; R56-L164 VanDerWaalsContact CZ-CD1 3.41Å; R56-E366 IonicContact CZ-OE1 2.68Å; R56-E366 IonicContact CZ-OE2 2.88Å; R56-E366 IonicContact NH1-OE1 2.7Å; R56-E366 PolarHBondContact NH1-OE1 3.12Å; R56-E366 IonicContact NH1-OE2 3.63Å; R56-E366 IonicContact NH2-OE1 3.6Å; R56-E366 PolarHBondContact NH2-OE1 2.95Å; R56-E366 IonicContact NH2-OE2 3.43Å; R56-E366 PolarHBondContact NH2-OE2 3.32Å
57L97.7Very high96.5Very high1 Ų124 Ų241%0.00511%0.11CC..Hα-helixtrans-61.9-47.8176.9-73.4172.3000111.7L53 P54 N59 T60 M61 Y84 F88 L91 F161L53-L57 WeakPolarHBondContact O-CG 3.29Å; L53-L57 PolarHBondContact O-N 2.79Å; P54-L57 PolarHBondContact O-N 2.86Å; L57-N59 PolarHBondContact O-N 3.01Å; L57-T60 PolarHBondContact O-N 3.23Å; L57-M61 WeakPolarHBondContact O-CB 3.36Å; L57-M61 VanDerWaalsContact O-CG 3.23Å; L57-M61 WeakPolarHBondContact O-CG 3.4Å; L57-M61 PolarHBondContact O-N 3.44Å; L57-Y84 HydrophobicContact CD2-CD1 3.57Å; L57-Y84 HydrophobicContact CD2-CE1 3.87Å; L57-Y84 HydrophobicContact CD2-CG 4.31Å; L57-F88 HydrophobicContact CB-CD2 4.18Å; L57-F88 HydrophobicContact CD1-CB 4.24Å; L57-L91 HydrophobicContact CD1-CD1 3.64Å; L57-F161 HydrophobicContact CD1-CE2 3.82Å; L57-F161 HydrophobicContact CD1-CZ 4.01Å; L57-F161 HydrophobicContact CD2-CD2 4.32Å; L57-F161 HydrophobicContact CD2-CE2 3.85Å; L57-F161 HydrophobicContact CD2-CZ 4.04Å; L57-F161 HydrophobicContact CG-CD2 4.31Å; L57-F161 HydrophobicContact CG-CE2 3.65Å; L57-F161 HydrophobicContact CG-CZ 4.17Å
58A97.5Very high96.3Very high0 Ų022.1 Ų22.10%010%0.104CC..Hα-helixtrans-63.1-41.7-178.100000112.5I16 Y19 P54 V55 T60 M61 R62 F88I16-A58 HydrophobicContact CG2-CB 4.31Å; Y19-A58 VanDerWaalsContact CB-CB 3.48Å; P54-A58 VanDerWaalsContact O-CB 3.22Å; P54-A58 WeakPolarHBondContact O-CB 3.38Å; P54-A58 PolarHBondContact O-N 3Å; V55-A58 PolarHBondContact O-N 3.14Å; A58-T60 VanDerWaalsContact C-N 3.35Å; A58-T60 PolarHBondContact O-N 3.29Å; A58-M61 PolarHBondContact O-N 3.43Å; A58-R62 WeakPolarHBondContact O-CG 3.32Å; A58-R62 PolarHBondContact O-N 3Å; A58-F88 HydrophobicContact CB-CE2 3.96Å
59N97.5Very high96Very high1 Ų125.5 Ų25.51%0.00513%0.125CC..Hα-helixtrans-55.9-48.7174.4-87.6-98.2000111F22 V55 L57 R62 E63 F371F22-N59 PolarHBondContact O-ND2 3.35Å; V55-N59 PolarHBondContact O-N 2.82Å; V55-N59 PolarHBondContact O-ND2 3.46Å; L57-N59 PolarHBondContact O-N 3.01Å; N59-R62 PolarHBondContact O-N 2.75Å; N59-E63 PolarHBondContact O-N 2.99Å; N59-F371 HydrophobicContact CB-CB 4.14Å; N59-F371 VanDerWaalsContact OD1-CB 3.28Å; N59-F371 WeakPolarHBondContact OD1-CB 3.48Å; N59-F371 PolarHBondContact OD1-N 3.17Å
60T96.7Very high95.9Very high4 Ų430.9 Ų30.93%0.02515%0.148CC..Hα-helixtrans-65.1-46.2176.7-67.90000112.8R56 L57 A58 R62 E63 V64 Y84 F154 N157R56-T60 PolarHBondContact O-N 2.9Å; L57-T60 PolarHBondContact O-N 3.23Å; A58-T60 VanDerWaalsContact C-N 3.35Å; A58-T60 PolarHBondContact O-N 3.29Å; T60-R62 PolarHBondContact O-N 3.44Å; T60-E63 PolarHBondContact O-N 3.24Å; T60-V64 HydrophobicContact CG2-CG2 4.18Å; T60-V64 WeakPolarHBondContact O-CG2 3.34Å; T60-V64 PolarHBondContact O-N 3.3Å; T60-Y84 HydrophobicContact CG2-CD1 4.29Å; T60-Y84 HydrophobicContact CG2-CE1 3.8Å; T60-F154 HydrophobicContact CG2-CD2 3.42Å; T60-F154 VanDerWaalsContact CG2-CD2 3.42Å; T60-F154 HydrophobicContact CG2-CE2 3.85Å; T60-N157 WeakPolarHBondContact OG1-CB 3.37Å; T60-N157 PolarHBondContact OG1-ND2 3.02Å
61M96.3Very high95.7Very high13 Ų1329.7 Ų29.76%0.06414%0.144CC..Hα-helixtrans-59.7-34.7-178.9-70.9171.47500112.2I16 L57 A58 V64 N65 Y84 M85 F88I16-M61 HydrophobicContact CD1-CE 3.52Å; I16-M61 HydrophobicContact CD1-SD 4.46Å; I16-M61 HydrophobicContact CG1-CE 4.24Å; I16-M61 HydrophobicContact CG2-CB 4.38Å; L57-M61 WeakPolarHBondContact O-CB 3.36Å; L57-M61 VanDerWaalsContact O-CG 3.23Å; L57-M61 WeakPolarHBondContact O-CG 3.4Å; L57-M61 PolarHBondContact O-N 3.44Å; A58-M61 PolarHBondContact O-N 3.43Å; M61-V64 PolarHBondContact O-N 3.31Å; M61-N65 PolarHBondContact O-N 2.98Å; M61-Y84 HydrophobicContact CG-CD1 4.25Å; M61-M85 HydrophobicContact CE-CB 3.91Å; M61-M85 HydrophobicContact CE-CE 3.69Å; M61-M85 HydrophobicContact CE-SD 3.86Å; M61-F88 HydrophobicContact SD-CB 4.08Å; M61-F88 HydrophobicContact SD-CG 4.34Å
62R95.1Very high95.6Very high72 Ų7225 Ų2527%0.27213%0.125SC..Hα-helixtrans-63.4-40.8173.3-72.6-59.5-64.2-125.1-4.4112.8I16 S20 A58 N59 T60 N65 L66 F371I16-R62 HydrophobicContact CG2-CG 4.15Å; S20-R62 WeakPolarHBondContact OG-CG 3.45Å; A58-R62 WeakPolarHBondContact O-CG 3.32Å; A58-R62 PolarHBondContact O-N 3Å; N59-R62 PolarHBondContact O-N 2.75Å; T60-R62 PolarHBondContact O-N 3.44Å; R62-N65 PolarHBondContact O-N 2.74Å; R62-L66 WeakPolarHBondContact O-CG 3.42Å; R62-F371 HydrophobicContact CB-CD1 3.69Å; R62-F371 HydrophobicContact CB-CD2 4.05Å; R62-F371 HydrophobicContact CB-CE1 3.71Å; R62-F371 HydrophobicContact CB-CE2 4.08Å; R62-F371 HydrophobicContact CB-CG 3.86Å; R62-F371 HydrophobicContact CB-CZ 3.91Å; R62-F371 HydrophobicContact CG-CD1 3.92Å; R62-F371 HydrophobicContact CG-CE1 3.89Å; R62-F371 HydrophobicContact CG-CZ 4.5Å
63E95.6Very high95.5Very high4 Ų427.2 Ų27.22%0.01914%0.141CC..Hα-helixtrans-71.3-38.5178.3-69.1-177-139.900112.3N59 T60 N65 L66 F150 R153 F371 Y379N59-E63 PolarHBondContact O-N 2.99Å; T60-E63 PolarHBondContact O-N 3.24Å; E63-N65 PolarHBondContact O-N 3.01Å; E63-L66 WeakPolarHBondContact O-CB 3.3Å; E63-L66 PolarHBondContact O-N 2.85Å; E63-F150 HydrophobicContact CB-CD2 4.35Å; E63-R153 IonicContact OE1-CZ 3.49Å; E63-R153 IonicContact OE1-NE 3.14Å; E63-R153 PolarHBondContact OE1-NE 3.25Å; E63-R153 IonicContact OE1-NH2 2.79Å; E63-R153 PolarHBondContact OE1-NH2 3.04Å; E63-R153 IonicContact OE2-CZ 3.86Å; E63-R153 IonicContact OE2-NE 3.9Å; E63-R153 PolarHBondContact OE2-NE 3.4Å; E63-R153 IonicContact OE2-NH2 3.32Å; E63-F371 HydrophobicContact CG-CB 4.49Å; E63-F371 HydrophobicContact CG-CD2 3.59Å; E63-F371 HydrophobicContact CG-CE2 4.31Å; E63-F371 HydrophobicContact CG-CG 4.41Å; E63-Y379 HydrophobicContact CB-CE2 4.15Å; E63-Y379 HydrophobicContact CG-CE2 3.98Å; E63-Y379 PolarHBondContact OE2-OH 3.36Å
64V93.4Very high95.4Very high8 Ų827.8 Ų27.85%0.04814%0.143CC..Hα-helixtrans-55-45.6173.5-1800000109.9T60 M61 L66 L67 L72 Q81 F150 F154T60-V64 HydrophobicContact CG2-CG2 4.18Å; T60-V64 WeakPolarHBondContact O-CG2 3.34Å; T60-V64 PolarHBondContact O-N 3.3Å; M61-V64 PolarHBondContact O-N 3.31Å; V64-L66 PolarHBondContact O-N 2.85Å; V64-L66 VanDerWaalsContact O-N 3.07Å; V64-L67 HydrophobicContact CG1-CD1 4.32Å; V64-L67 VanDerWaalsContact O-CB 3.27Å; V64-L67 WeakPolarHBondContact O-CB 3.42Å; V64-L67 WeakPolarHBondContact O-CG 3.23Å; V64-L67 PolarHBondContact O-N 3.14Å; V64-L72 HydrophobicContact CG1-CD2 3.96Å; V64-L72 VanDerWaalsContact O-CD2 3.31Å; V64-L72 WeakPolarHBondContact O-CD2 3.43Å; V64-Q81 HydrophobicContact CG1-CG 3.61Å; V64-F150 HydrophobicContact CB-CE2 4.22Å; V64-F150 HydrophobicContact CB-CZ 4.47Å; V64-F150 HydrophobicContact CG2-CE2 3.56Å; V64-F150 HydrophobicContact CG2-CZ 3.67Å; V64-F154 HydrophobicContact CG2-CD2 4.4Å
65N91.1Very high95.3Very high53 Ų5331.9 Ų31.928%0.28317%0.17SC..THydrogen-bonded Turntrans-67.6-6.1179.9-67.7-10.7000114.4M61 R62 E63 Q81M61-N65 PolarHBondContact O-N 2.98Å; R62-N65 PolarHBondContact O-N 2.74Å; E63-N65 PolarHBondContact O-N 3.01Å; N65-Q81 PolarHBondContact OD1-NE2 3.23Å; N65-Q81 VanDerWaalsContact OD1-NE2 3.09Å
66L93.3Very high95.2Very high34 Ų3432.2 Ų32.218%0.17817%0.173CC..THydrogen-bonded Turntrans-97.6-4.1173.7-63.1176.1000113.2R62 E63 V64 F371 W376 Y379R62-L66 WeakPolarHBondContact O-CG 3.42Å; E63-L66 WeakPolarHBondContact O-CB 3.3Å; E63-L66 PolarHBondContact O-N 2.85Å; V64-L66 PolarHBondContact O-N 2.85Å; V64-L66 VanDerWaalsContact O-N 3.07Å; L66-F371 HydrophobicContact CD1-CE2 3.69Å; L66-F371 HydrophobicContact CD1-CZ 4.29Å; L66-W376 HydrophobicContact CD1-CG 4.44Å; L66-Y379 HydrophobicContact CB-CD1 4.14Å; L66-Y379 HydrophobicContact CB-CD2 3.97Å; L66-Y379 HydrophobicContact CB-CG 3.71Å; L66-Y379 HydrophobicContact CD1-CD2 3.59Å; L66-Y379 HydrophobicContact CD1-CE2 4.26Å; L66-Y379 HydrophobicContact CD1-CG 4.1Å; L66-Y379 HydrophobicContact CG-CD2 4.45Å
67L93.4Very high95.1Very high5 Ų532.2 Ų32.23%0.02617%0.173CC..SBendtrans-65.2157174.1-68.7175000111.5V64 D69 L71 L72 F150 Y379V64-L67 HydrophobicContact CG1-CD1 4.32Å; V64-L67 VanDerWaalsContact O-CB 3.27Å; V64-L67 WeakPolarHBondContact O-CB 3.42Å; V64-L67 WeakPolarHBondContact O-CG 3.23Å; V64-L67 PolarHBondContact O-N 3.14Å; L67-D69 PolarHBondContact O-N 3Å; L67-L71 HydrophobicContact CB-CD2 4.39Å; L67-L71 HydrophobicContact CD1-CD2 3.98Å; L67-L71 HydrophobicContact CD2-CD2 4.22Å; L67-L71 HydrophobicContact CG-CD2 4.44Å; L67-L72 HydrophobicContact CB-CD2 4.17Å; L67-L72 HydrophobicContact CB-CG 4.01Å; L67-L72 VanDerWaalsContact O-CD1 3.3Å; L67-L72 WeakPolarHBondContact O-CD1 3.47Å; L67-F150 HydrophobicContact CD1-CD1 3.84Å; L67-F150 HydrophobicContact CD1-CD2 4.2Å; L67-F150 HydrophobicContact CD1-CE1 3.7Å; L67-F150 HydrophobicContact CD1-CE2 4.05Å; L67-F150 HydrophobicContact CD1-CG 4.11Å; L67-F150 HydrophobicContact CD1-CZ 3.82Å; L67-F150 HydrophobicContact CD2-CB 3.79Å; L67-F150 HydrophobicContact CD2-CD1 3.9Å; L67-F150 HydrophobicContact CD2-CD2 4.1Å; L67-F150 HydrophobicContact CD2-CG 3.64Å; L67-F150 HydrophobicContact CG-CD1 4.38Å; L67-F150 HydrophobicContact CG-CD2 4.25Å; L67-F150 HydrophobicContact CG-CE2 4.49Å; L67-F150 HydrophobicContact CG-CG 4.2Å; L67-Y379 HydrophobicContact CD2-CE1 4.38Å
68P92.6Very high95.1Very high39 Ų3937.5 Ų37.525%0.25320%0.196SC..  trans-57.1139.3176.8-23.132.4000112.3K70 L71 L72 I143P68-K70 PolarHBondContact O-N 3.42Å; P68-K70 VanDerWaalsContact O-N 3.08Å; P68-L71 WeakPolarHBondContact O-CA 3.5Å; P68-L71 WeakPolarHBondContact O-CB 3.47Å; P68-L71 PolarHBondContact O-N 3.48Å; P68-L72 PolarHBondContact O-N 3.2Å; P68-I143 HydrophobicContact CG-CG2 3.83Å
69D92.9Very high95.1Very high134 Ų13440.7 Ų40.772%0.71721%0.213SC*.Hα-helixtrans-54.2-35.5-179.7-65.5-31000112.8L67 L71 L72 S73L67-D69 PolarHBondContact O-N 3Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 2.93Å; D69-L72 PolarHBondContact O-N 3.38Å; D69-S73 VanDerWaalsContact O-CB 3.26Å; D69-S73 WeakPolarHBondContact O-CB 3.26Å; D69-S73 PolarHBondContact O-N 3.22Å; D69-S73 PolarHBondContact O-OG 2.95Å
70K94.7Very high95.1Very high116 Ų11640.9 Ų40.950%0.50421%0.214SC..Hα-helixtrans-58.8-42.8174.8-70.8-178.9179.5-179.40111.6P68 S73 Q74 Y133 F137P68-K70 PolarHBondContact O-N 3.42Å; P68-K70 VanDerWaalsContact O-N 3.08Å; K70-S73 PolarHBondContact O-OG 3.24Å; K70-Q74 PolarHBondContact O-NE2 3.31Å; K70-Y133 HydrophobicContact CB-CD2 4.08Å; K70-Y133 HydrophobicContact CB-CE2 3.72Å; K70-F137 HydrophobicContact CB-CD2 4.08Å; K70-F137 HydrophobicContact CB-CE1 4.45Å; K70-F137 HydrophobicContact CB-CE2 3.81Å; K70-F137 HydrophobicContact CB-CZ 4Å; K70-F137 HydrophobicContact CD-CD1 3.74Å; K70-F137 HydrophobicContact CD-CD2 4.43Å; K70-F137 HydrophobicContact CD-CE1 3.87Å; K70-F137 HydrophobicContact CD-CG 4.02Å; K70-F137 HydrophobicContact CD-CZ 4.26Å; K70-F137 HydrophobicContact CG-CD1 4.4Å; K70-F137 HydrophobicContact CG-CE1 4.07Å; K70-F137 HydrophobicContact CG-CE2 4.32Å; K70-F137 HydrophobicContact CG-CZ 4.02Å
71L94Very high95.1Very high0 Ų042.4 Ų42.40%022%0.22CC..Hα-helixtrans-73.7-44.5176.1179.559.7000111.2L67 P68 D69 S73 Q74 V77 G129 V130 Y133 I147L67-L71 HydrophobicContact CB-CD2 4.39Å; L67-L71 HydrophobicContact CD1-CD2 3.98Å; L67-L71 HydrophobicContact CD2-CD2 4.22Å; L67-L71 HydrophobicContact CG-CD2 4.44Å; P68-L71 WeakPolarHBondContact O-CA 3.5Å; P68-L71 WeakPolarHBondContact O-CB 3.47Å; P68-L71 PolarHBondContact O-N 3.48Å; D69-L71 VanDerWaalsContact C-N 3.33Å; D69-L71 PolarHBondContact O-N 2.93Å; L71-S73 PolarHBondContact O-N 3.36Å; L71-Q74 VanDerWaalsContact O-CB 3.29Å; L71-Q74 WeakPolarHBondContact O-CB 3.5Å; L71-Q74 WeakPolarHBondContact O-CG 3.35Å; L71-Q74 PolarHBondContact O-N 2.85Å; L71-Q74 VanDerWaalsContact O-N 3.07Å; L71-V77 HydrophobicContact CD1-CG2 3.87Å; L71-V77 HydrophobicContact CG-CG2 4.23Å; L71-V77 WeakPolarHBondContact O-CG2 3.26Å; L71-G129 WeakPolarHBondContact CD1-O 3.42Å; L71-V130 HydrophobicContact CD1-CG2 4.49Å; L71-Y133 HydrophobicContact CB-CD2 3.96Å; L71-Y133 HydrophobicContact CB-CE2 4.46Å; L71-Y133 HydrophobicContact CB-CG 4.32Å; L71-Y133 HydrophobicContact CD1-CD2 4.46Å; L71-Y133 HydrophobicContact CD1-CG 4.02Å; L71-I147 HydrophobicContact CD2-CD1 3.96Å; L71-I147 HydrophobicContact CD2-CG1 3.88Å
72L95Very high95.1Very high25 Ų2546.9 Ų46.913%0.13124%0.24CC..Hα-helixtrans-59.5-28.7176.4-75178000113.4V64 L67 P68 D69 Q74 V77 K78V64-L72 HydrophobicContact CG1-CD2 3.96Å; V64-L72 VanDerWaalsContact O-CD2 3.31Å; V64-L72 WeakPolarHBondContact O-CD2 3.43Å; L67-L72 HydrophobicContact CB-CD2 4.17Å; L67-L72 HydrophobicContact CB-CG 4.01Å; L67-L72 VanDerWaalsContact O-CD1 3.3Å; L67-L72 WeakPolarHBondContact O-CD1 3.47Å; P68-L72 PolarHBondContact O-N 3.2Å; D69-L72 PolarHBondContact O-N 3.38Å; L72-Q74 PolarHBondContact O-N 3.12Å; L72-V77 HydrophobicContact CD2-CG1 4.12Å; L72-K78 WeakPolarHBondContact O-CG 3.25Å
73S95.5Very high95.2Very high52 Ų5245.5 Ų45.536%0.36424%0.235SC..THydrogen-bonded Turntrans-71.9-16.5179.172.70000113.7D69 K70 L71 K78D69-S73 VanDerWaalsContact O-CB 3.26Å; D69-S73 WeakPolarHBondContact O-CB 3.26Å; D69-S73 PolarHBondContact O-N 3.22Å; D69-S73 PolarHBondContact O-OG 2.95Å; K70-S73 PolarHBondContact O-OG 3.24Å; L71-S73 PolarHBondContact O-N 3.36Å; S73-K78 WeakPolarHBondContact O-CE 3.39Å; S73-K78 PolarHBondContact O-NZ 3.37Å
74Q96.3Very high95.3Very high12 Ų1245.6 Ų45.66%0.05624%0.235CC..SBendtrans-66.7136.4-176.1-64.7-37.2-62.400112K70 L71 L72 S76 V77 K78 E132K70-Q74 PolarHBondContact O-NE2 3.31Å; L71-Q74 VanDerWaalsContact O-CB 3.29Å; L71-Q74 WeakPolarHBondContact O-CB 3.5Å; L71-Q74 WeakPolarHBondContact O-CG 3.35Å; L71-Q74 PolarHBondContact O-N 2.85Å; L71-Q74 VanDerWaalsContact O-N 3.07Å; L72-Q74 PolarHBondContact O-N 3.12Å; Q74-S76 VanDerWaalsContact C-N 3.28Å; Q74-S76 PolarHBondContact O-N 2.91Å; Q74-V77 HydrophobicContact CB-CB 4.44Å; Q74-V77 HydrophobicContact CB-CG2 4.08Å; Q74-V77 PolarHBondContact O-N 2.98Å; Q74-K78 PolarHBondContact O-N 3.45Å; Q74-K78 VanDerWaalsContact O-N 3.08Å; Q74-E132 HydrophobicContact CB-CB 4.42Å; Q74-E132 WeakPolarHBondContact CB-OE2 3.13Å; Q74-E132 HydrophobicContact CG-CB 4.1Å
75P96.7Very high95.4Very high87 Ų8745.5 Ų45.557%0.56523%0.234SC*.Hα-helixtrans-54-43.3-177.3-26.433.8000113.4K78 L79 E132P75-K78 PolarHBondContact O-N 3.36Å; P75-L79 PolarHBondContact O-N 2.78Å; P75-E132 WeakPolarHBondContact CD-OE2 3.49Å
76S96.2Very high95.7Very high17 Ų1745.3 Ų45.312%0.11923%0.231CC..Hα-helixtrans-67-38.5-177.8-67.60000112.3Q74 L79 V80 T125 E132Q74-S76 VanDerWaalsContact C-N 3.28Å; Q74-S76 PolarHBondContact O-N 2.91Å; S76-L79 PolarHBondContact O-N 2.92Å; S76-V80 WeakPolarHBondContact O-CG2 3.37Å; S76-V80 PolarHBondContact O-N 3.48Å; S76-T125 VanDerWaalsContact CB-O 3.31Å; S76-T125 WeakPolarHBondContact CB-O 3.41Å; S76-T125 WeakPolarHBondContact O-CG2 3.43Å; S76-E132 WeakPolarHBondContact CB-OE2 3.45Å; S76-E132 PolarHBondContact N-OE2 3.08Å; S76-E132 PolarHBondContact OG-OE1 3.42Å; S76-E132 PolarHBondContact OG-OE2 2.93Å
77V96.6Very high95.9Very high0 Ų043.7 Ų43.70%022%0.223CC..Hα-helixtrans-66.7-41.8175.8-1790000111.3L71 L72 Q74 L79 V80 Q81 M126L71-V77 HydrophobicContact CD1-CG2 3.87Å; L71-V77 HydrophobicContact CG-CG2 4.23Å; L71-V77 WeakPolarHBondContact O-CG2 3.26Å; L72-V77 HydrophobicContact CD2-CG1 4.12Å; Q74-V77 HydrophobicContact CB-CB 4.44Å; Q74-V77 HydrophobicContact CB-CG2 4.08Å; Q74-V77 PolarHBondContact O-N 2.98Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 3.13Å; V77-V80 PolarHBondContact O-N 3.04Å; V77-Q81 PolarHBondContact O-N 2.92Å; V77-M126 HydrophobicContact CG2-CE 3.85Å; V77-M126 HydrophobicContact CG2-SD 4.29Å
78K96.9Very high96.1Very high112 Ų11243.4 Ų43.449%0.48722%0.221SC..Hα-helixtrans-62.4-37.5175.6-71.8176.4175.5159.40112.5L72 S73 Q74 P75 Q81 K82L72-K78 WeakPolarHBondContact O-CG 3.25Å; S73-K78 WeakPolarHBondContact O-CE 3.39Å; S73-K78 PolarHBondContact O-NZ 3.37Å; Q74-K78 PolarHBondContact O-N 3.45Å; Q74-K78 VanDerWaalsContact O-N 3.08Å; P75-K78 PolarHBondContact O-N 3.36Å; K78-Q81 PolarHBondContact O-N 3.47Å; K78-K82 PolarHBondContact O-N 3.32Å
79L96.8Very high96.3Very high67 Ų6742.3 Ų42.335%0.35121%0.214SC..Hα-helixtrans-63.2-45.1176.7-178.457.6000111.2P75 S76 V77 Q81 K82 W83 T125P75-L79 PolarHBondContact O-N 2.78Å; S76-L79 PolarHBondContact O-N 2.92Å; V77-L79 VanDerWaalsContact C-N 3.3Å; V77-L79 PolarHBondContact O-N 3.13Å; L79-Q81 PolarHBondContact O-N 2.89Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 PolarHBondContact O-N 3.14Å; L79-W83 HydrophobicContact CD1-CD2 4.4Å; L79-W83 HydrophobicContact CD1-CZ2 3.81Å; L79-W83 HydrophobicContact CD2-CH2 3.68Å; L79-W83 HydrophobicContact CD2-CZ2 3.56Å; L79-W83 HydrophobicContact CD2-CZ3 4.47Å; L79-W83 HydrophobicContact CG-CD2 4.18Å; L79-W83 HydrophobicContact CG-CE3 4.41Å; L79-W83 HydrophobicContact CG-CH2 3.79Å; L79-W83 HydrophobicContact CG-CZ2 3.51Å; L79-W83 HydrophobicContact CG-CZ3 4.23Å; L79-W83 PolarHBondContact O-N 2.96Å; L79-T125 HydrophobicContact CB-CG2 4.46Å; L79-T125 HydrophobicContact CD2-CG2 4.12Å
80V97.3Very high96.5Very high4 Ų437 Ų372%0.02418%0.184CC..Hα-helixtrans-60.6-45.9174.5173.40000111.3S76 V77 K82 W83 Y84 V122 T125 M126 F154S76-V80 WeakPolarHBondContact O-CG2 3.37Å; S76-V80 PolarHBondContact O-N 3.48Å; V77-V80 PolarHBondContact O-N 3.04Å; V80-K82 VanDerWaalsContact C-N 3.27Å; V80-K82 PolarHBondContact O-N 2.95Å; V80-W83 HydrophobicContact CG2-CE3 4.23Å; V80-W83 HydrophobicContact CG2-CZ3 4.22Å; V80-W83 PolarHBondContact O-N 2.84Å; V80-Y84 HydrophobicContact CG1-CD2 3.91Å; V80-Y84 HydrophobicContact CG1-CE2 3.85Å; V80-Y84 VanDerWaalsContact O-CD2 3.3Å; V80-Y84 WeakPolarHBondContact O-CD2 3.32Å; V80-Y84 PolarHBondContact O-N 3.08Å; V80-V122 HydrophobicContact CG1-CG1 4.39Å; V80-T125 HydrophobicContact CG2-CG2 3.79Å; V80-M126 HydrophobicContact CG2-CB 4.33Å; V80-F154 HydrophobicContact CG1-CE2 4.1Å; V80-F154 HydrophobicContact CG1-CZ 3.67Å
81Q96.6Very high96.6Very high36 Ų3631.4 Ų31.417%0.16816%0.16CC..Hα-helixtrans-57.2-41.4175.6-75.6-180-54.500112.2V64 N65 V77 K78 L79 Y84 M85V64-Q81 HydrophobicContact CG1-CG 3.61Å; N65-Q81 PolarHBondContact OD1-NE2 3.23Å; N65-Q81 VanDerWaalsContact OD1-NE2 3.09Å; V77-Q81 PolarHBondContact O-N 2.92Å; K78-Q81 PolarHBondContact O-N 3.47Å; L79-Q81 PolarHBondContact O-N 2.89Å; Q81-Y84 PolarHBondContact O-N 3.04Å; Q81-M85 WeakPolarHBondContact O-CB 3.42Å; Q81-M85 PolarHBondContact O-N 2.91Å
82K96.6Very high96.7Very high107 Ų10732.5 Ų32.547%0.46517%0.166SC..Hα-helixtrans-63.1-44.9177.1-175.2-176.1175.7-172.90111.7K78 L79 V80 M85 Q86K78-K82 PolarHBondContact O-N 3.32Å; L79-K82 WeakPolarHBondContact O-CB 3.38Å; L79-K82 PolarHBondContact O-N 3.14Å; V80-K82 VanDerWaalsContact C-N 3.27Å; V80-K82 PolarHBondContact O-N 2.95Å; K82-M85 PolarHBondContact O-N 3.39Å; K82-Q86 WeakPolarHBondContact O-CB 3.41Å; K82-Q86 PolarHBondContact O-N 3.15Å
83W97.9Very high96.7Very high44 Ų4435.6 Ų35.617%0.16718%0.183CC..Hα-helixtrans-62.4-43.1177.6-67.2-31.2000112.5L79 V80 Q86 S87 R118 D121 V122 T125L79-W83 HydrophobicContact CD1-CD2 4.4Å; L79-W83 HydrophobicContact CD1-CZ2 3.81Å; L79-W83 HydrophobicContact CD2-CH2 3.68Å; L79-W83 HydrophobicContact CD2-CZ2 3.56Å; L79-W83 HydrophobicContact CD2-CZ3 4.47Å; L79-W83 HydrophobicContact CG-CD2 4.18Å; L79-W83 HydrophobicContact CG-CE3 4.41Å; L79-W83 HydrophobicContact CG-CH2 3.79Å; L79-W83 HydrophobicContact CG-CZ2 3.51Å; L79-W83 HydrophobicContact CG-CZ3 4.23Å; L79-W83 PolarHBondContact O-N 2.96Å; V80-W83 HydrophobicContact CG2-CE3 4.23Å; V80-W83 HydrophobicContact CG2-CZ3 4.22Å; V80-W83 PolarHBondContact O-N 2.84Å; W83-Q86 PolarHBondContact O-N 2.81Å; W83-S87 PolarHBondContact O-N 3.46Å; W83-S87 PolarHBondContact O-OG 3Å; W83-R118 HydrophobicContact CB-CG 4.15Å; W83-R118 HydrophobicContact CG-CG 3.91Å; W83-D121 HydrophobicContact CH2-CB 4.32Å; W83-V122 HydrophobicContact CE3-CG2 3.82Å; W83-V122 HydrophobicContact CZ3-CG2 4.18Å; W83-T125 HydrophobicContact CH2-CG2 4.18Å; W83-T125 HydrophobicContact CZ3-CG2 4.02Å
84Y97.5Very high96.7Very high5 Ų533.5 Ų33.52%0.0217%0.167CC..Hα-helixtrans-65.1-43.7177.3-86-116000111.7L57 T60 M61 V80 Q81 S87 F88 H119 V122 F154L57-Y84 HydrophobicContact CD2-CD1 3.57Å; L57-Y84 HydrophobicContact CD2-CE1 3.87Å; L57-Y84 HydrophobicContact CD2-CG 4.31Å; T60-Y84 HydrophobicContact CG2-CD1 4.29Å; T60-Y84 HydrophobicContact CG2-CE1 3.8Å; M61-Y84 HydrophobicContact CG-CD1 4.25Å; V80-Y84 HydrophobicContact CG1-CD2 3.91Å; V80-Y84 HydrophobicContact CG1-CE2 3.85Å; V80-Y84 VanDerWaalsContact O-CD2 3.3Å; V80-Y84 WeakPolarHBondContact O-CD2 3.32Å; V80-Y84 PolarHBondContact O-N 3.08Å; Q81-Y84 PolarHBondContact O-N 3.04Å; Y84-S87 PolarHBondContact O-N 2.85Å; Y84-F88 VanDerWaalsContact O-CB 3.31Å; Y84-F88 WeakPolarHBondContact O-CB 3.45Å; Y84-F88 PolarHBondContact O-N 3Å; Y84-H119 AromaticContact CD2-CE1 3.69Å; Y84-H119 AromaticContact CE2-CE1 3.64Å; Y84-H119 AromaticContact CE2-ND1 3.77Å; Y84-V122 HydrophobicContact CE2-CG1 4.01Å; Y84-V122 HydrophobicContact CE2-CG2 4.11Å; Y84-F154 HydrophobicContact CE1-CE2 4.02Å; Y84-F154 AromaticContact CE2-CE2 3.95Å; Y84-F154 HydrophobicContact CE2-CE2 3.95Å; Y84-F154 AromaticContact CE2-CZ 3.88Å; Y84-F154 HydrophobicContact CE2-CZ 3.88Å; Y84-F154 AromaticContact CZ-CE2 3.53Å; Y84-F154 AromaticContact CZ-CZ 3.73Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.46Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.37Å
85M96.1Very high96.4Very high7 Ų735 Ų353%0.03417%0.174CC..Hα-helixtrans-60.6-45.8175.2-179.565.477.100111.6L8 N10 H13 I16 M61 Q81 K82 F88 V89L8-M85 HydrophobicContact CD2-CG 4.06Å; N10-M85 VanDerWaalsContact O-CE 3.24Å; N10-M85 WeakPolarHBondContact O-CE 3.35Å; H13-M85 HydrophobicContact CB-CE 4.46Å; H13-M85 HydrophobicContact CB-SD 4.42Å; I16-M85 HydrophobicContact CD1-CE 3.49Å; I16-M85 VanDerWaalsContact CD1-CE 3.49Å; I16-M85 HydrophobicContact CD1-SD 4.01Å; M61-M85 HydrophobicContact CE-CB 3.91Å; M61-M85 HydrophobicContact CE-CE 3.69Å; M61-M85 HydrophobicContact CE-SD 3.86Å; Q81-M85 WeakPolarHBondContact O-CB 3.42Å; Q81-M85 PolarHBondContact O-N 2.91Å; K82-M85 PolarHBondContact O-N 3.39Å; M85-F88 PolarHBondContact O-N 3.15Å; M85-V89 WeakPolarHBondContact O-CG2 3.41Å; M85-V89 PolarHBondContact O-N 2.82Å; M85-V89 HydrophobicContact SD-CG2 4.2Å
86Q96.9Very high96.1Very high48 Ų4837.8 Ų37.822%0.22418%0.184CC..Hα-helixtrans-60.6-49.4179-179.3175.5-12.600111.2L8 K82 W83 F88 V89 E90L8-Q86 HydrophobicContact CD2-CB 4.09Å; K82-Q86 WeakPolarHBondContact O-CB 3.41Å; K82-Q86 PolarHBondContact O-N 3.15Å; W83-Q86 PolarHBondContact O-N 2.81Å; Q86-F88 VanDerWaalsContact C-N 3.28Å; Q86-F88 PolarHBondContact O-N 2.85Å; Q86-V89 PolarHBondContact O-N 2.83Å; Q86-E90 HydrophobicContact CG-CG 4.43Å; Q86-E90 VanDerWaalsContact CG-OE1 3.23Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 2.8Å; Q86-E90 WeakPolarHBondContact O-CB 3.3Å; Q86-E90 VanDerWaalsContact O-CG 3.32Å; Q86-E90 WeakPolarHBondContact O-CG 3.47Å; Q86-E90 PolarHBondContact O-N 2.84Å
87S97.9Very high96Very high0 Ų041.3 Ų41.30%020%0.195CC..Hα-helixtrans-60.1-38.8176.1-64.30000112.5W83 Y84 L91 R118 H119W83-S87 PolarHBondContact O-N 3.46Å; W83-S87 PolarHBondContact O-OG 3Å; Y84-S87 PolarHBondContact O-N 2.85Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 WeakPolarHBondContact O-CD1 3.43Å; S87-L91 VanDerWaalsContact O-CG 3.24Å; S87-L91 WeakPolarHBondContact O-CG 3.49Å; S87-L91 PolarHBondContact O-N 2.83Å; S87-L91 VanDerWaalsContact O-N 3.09Å; S87-R118 PolarHBondContact OG-NH1 2.87Å; S87-H119 PolarHBondContact OG-NE2 2.85Å
88F97.6Very high95.8Very high0 Ų048.5 Ų48.50%023%0.226CC..Hα-helixtrans-63.5-48.5177.7-179.9-103.6000111.5K15 I16 Y19 P54 L57 A58 M61 Y84 M85 Q86 L91 L92K15-F88 HydrophobicContact CB-CE1 4.06Å; K15-F88 HydrophobicContact CB-CZ 4.04Å; I16-F88 HydrophobicContact CG1-CD1 3.97Å; I16-F88 HydrophobicContact CG1-CE1 3.58Å; I16-F88 HydrophobicContact CG1-CZ 4.05Å; Y19-F88 HydrophobicContact CD2-CE2 4.12Å; Y19-F88 AromaticContact CD2-CZ 3.84Å; Y19-F88 HydrophobicContact CD2-CZ 3.84Å; Y19-F88 HydrophobicContact CG-CE2 4.19Å; Y19-F88 HydrophobicContact CG-CZ 4.31Å; P54-F88 HydrophobicContact CB-CD2 4.14Å; P54-F88 HydrophobicContact CB-CE2 3.84Å; L57-F88 HydrophobicContact CB-CD2 4.18Å; L57-F88 HydrophobicContact CD1-CB 4.24Å; A58-F88 HydrophobicContact CB-CE2 3.96Å; M61-F88 HydrophobicContact SD-CB 4.08Å; M61-F88 HydrophobicContact SD-CG 4.34Å; Y84-F88 VanDerWaalsContact O-CB 3.31Å; Y84-F88 WeakPolarHBondContact O-CB 3.45Å; Y84-F88 PolarHBondContact O-N 3Å; M85-F88 PolarHBondContact O-N 3.15Å; Q86-F88 VanDerWaalsContact C-N 3.28Å; Q86-F88 PolarHBondContact O-N 2.85Å; F88-L91 PolarHBondContact O-N 2.88Å; F88-L92 HydrophobicContact CD1-CD1 4.01Å; F88-L92 HydrophobicContact CE1-CD1 3.51Å; F88-L92 HydrophobicContact CE1-CG 4.23Å; F88-L92 HydrophobicContact CZ-CD1 3.92Å; F88-L92 HydrophobicContact CZ-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CG 4.32Å; F88-L92 WeakPolarHBondContact O-CG 3.16Å; F88-L92 PolarHBondContact O-N 2.84Å; F88-L92 VanDerWaalsContact O-N 3.15Å
89V96.1Very high95.6Very high15 Ų1543.5 Ų43.59%0.09121%0.205CC..Hα-helixtrans-63.5-45.6179.4171.70000111.5F4 M85 Q86 L91 L92 D93F4-V89 HydrophobicContact CE2-CG1 3.97Å; F4-V89 HydrophobicContact CZ-CG1 4.2Å; M85-V89 WeakPolarHBondContact O-CG2 3.41Å; M85-V89 PolarHBondContact O-N 2.82Å; M85-V89 HydrophobicContact SD-CG2 4.2Å; Q86-V89 PolarHBondContact O-N 2.83Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 2.81Å; V89-L92 WeakPolarHBondContact O-CB 3.49Å; V89-L92 PolarHBondContact O-N 3.38Å; V89-L92 VanDerWaalsContact O-N 3.11Å; V89-D93 PolarHBondContact O-N 2.97Å
90E96.9Very high95.3Very high22 Ų2246.5 Ų46.510%0.10322%0.218CC..Hα-helixtrans-60.7-37.4178.2-72.1167177.100112.2F4 Q86 D93 F94 I111 R118F4-E90 HydrophobicContact CZ-CG 4.45Å; Q86-E90 HydrophobicContact CG-CG 4.43Å; Q86-E90 VanDerWaalsContact CG-OE1 3.23Å; Q86-E90 WeakPolarHBondContact CG-OE1 3.45Å; Q86-E90 PolarHBondContact NE2-OE1 2.8Å; Q86-E90 WeakPolarHBondContact O-CB 3.3Å; Q86-E90 VanDerWaalsContact O-CG 3.32Å; Q86-E90 WeakPolarHBondContact O-CG 3.47Å; Q86-E90 PolarHBondContact O-N 2.84Å; E90-D93 PolarHBondContact O-N 3.27Å; E90-F94 WeakPolarHBondContact O-CD2 3.14Å; E90-I111 HydrophobicContact CB-CD1 4.38Å; E90-I111 HydrophobicContact CB-CG1 4.05Å; E90-I111 HydrophobicContact CG-CD1 4.49Å; E90-R118 VanDerWaalsContact CD-NH2 3.35Å; E90-R118 IonicContact OE1-CZ 3.81Å; E90-R118 IonicContact OE1-NH1 2.7Å; E90-R118 IonicContact OE1-NH2 2.92Å; E90-R118 PolarHBondContact OE1-NH2 3.46Å; E90-R118 VanDerWaalsContact OE1-NH2 3.12Å; E90-R118 IonicContact OE2-CZ 3.73Å; E90-R118 IonicContact OE2-NH1 3.63Å; E90-R118 PolarHBondContact OE2-NH1 3.02Å; E90-R118 IonicContact OE2-NH2 3.12Å; E90-R118 PolarHBondContact OE2-NH2 2.86Å
91L97.4Very high95Very high0 Ų049.5 Ų49.50%023%0.234CC..Hα-helixtrans-70.5-29.9175.9-73166.2000113L53 P54 L57 S87 F88 V89 D93 F94 F108 I111 L112 I115L53-L91 HydrophobicContact CB-CD1 3.72Å; L53-L91 HydrophobicContact CD1-CD1 4.48Å; L53-L91 HydrophobicContact CD1-CD2 4.16Å; P54-L91 HydrophobicContact CG-CB 3.9Å; P54-L91 HydrophobicContact CG-CD1 4.47Å; L57-L91 HydrophobicContact CD1-CD1 3.64Å; S87-L91 WeakPolarHBondContact O-CB 3.36Å; S87-L91 WeakPolarHBondContact O-CD1 3.43Å; S87-L91 VanDerWaalsContact O-CG 3.24Å; S87-L91 WeakPolarHBondContact O-CG 3.49Å; S87-L91 PolarHBondContact O-N 2.83Å; S87-L91 VanDerWaalsContact O-N 3.09Å; F88-L91 PolarHBondContact O-N 2.88Å; V89-L91 VanDerWaalsContact C-N 3.29Å; V89-L91 PolarHBondContact O-N 2.81Å; L91-D93 PolarHBondContact O-N 2.99Å; L91-F94 PolarHBondContact O-N 3.12Å; L91-F108 HydrophobicContact CD2-CE2 3.86Å; L91-F108 HydrophobicContact CD2-CZ 4.48Å; L91-I111 HydrophobicContact CD2-CG2 4.44Å; L91-L112 HydrophobicContact CD2-CD2 4.03Å; L91-I115 HydrophobicContact CD1-CD1 4.07Å; L91-I115 HydrophobicContact CD2-CD1 3.93Å; L91-I115 HydrophobicContact CG-CD1 3.7Å
92L95.7Very high94.1Very high23 Ų2353.1 Ų53.112%0.1226%0.26CS..Hα-helixtrans-66.7-24.5177.6-71.5-179.6000112.7K15 Y19 F88 V89 F94 E95K15-L92 HydrophobicContact CB-CD1 3.89Å; K15-L92 HydrophobicContact CG-CD1 4.11Å; Y19-L92 HydrophobicContact CD2-CD2 4.14Å; Y19-L92 HydrophobicContact CE2-CD2 3.37Å; F88-L92 HydrophobicContact CD1-CD1 4.01Å; F88-L92 HydrophobicContact CE1-CD1 3.51Å; F88-L92 HydrophobicContact CE1-CG 4.23Å; F88-L92 HydrophobicContact CZ-CD1 3.92Å; F88-L92 HydrophobicContact CZ-CD2 4.28Å; F88-L92 HydrophobicContact CZ-CG 4.32Å; F88-L92 WeakPolarHBondContact O-CG 3.16Å; F88-L92 PolarHBondContact O-N 2.84Å; F88-L92 VanDerWaalsContact O-N 3.15Å; V89-L92 WeakPolarHBondContact O-CB 3.49Å; V89-L92 PolarHBondContact O-N 3.38Å; V89-L92 VanDerWaalsContact O-N 3.11Å; L92-F94 PolarHBondContact O-N 3.28Å; L92-E95 VanDerWaalsContact O-CB 3.29Å; L92-E95 WeakPolarHBondContact O-CB 3.18Å; L92-E95 PolarHBondContact O-N 2.91Å
93D94.4Very high94Very high90 Ų9053.9 Ų53.948%0.48127%0.265SS..THydrogen-bonded Turntrans-62.2-15.6174.8-69.2-23000112.7V89 E90 L91 R97V89-D93 PolarHBondContact O-N 2.97Å; E90-D93 PolarHBondContact O-N 3.27Å; L91-D93 PolarHBondContact O-N 2.99Å; D93-R97 WeakPolarHBondContact O-CG 3.25Å; D93-R97 PolarHBondContact O-NE 3.06Å
94F96.2Very high93.8Very high8 Ų851.8 Ų51.84%0.03526%0.257CS..THydrogen-bonded Turntrans-99.7-2.5176.9-64-92.6000113.9Y46 R50 E90 L91 L92 N96 R97 T104 D107 F108 I111Y46-F94 HydrophobicContact CE2-CB 4.19Å; Y46-F94 AromaticContact CE2-CD1 3.98Å; Y46-F94 HydrophobicContact CE2-CD1 3.98Å; Y46-F94 HydrophobicContact CE2-CG 4.46Å; Y46-F94 PolarHBondContact OH-O 2.8Å; Y46-F94 VanDerWaalsContact OH-O 3.1Å; R50-F94 HydrophobicContact CB-CB 4.43Å; E90-F94 WeakPolarHBondContact O-CD2 3.14Å; L91-F94 PolarHBondContact O-N 3.12Å; L92-F94 PolarHBondContact O-N 3.28Å; F94-N96 VanDerWaalsContact C-N 3.26Å; F94-N96 PolarHBondContact O-N 3.38Å; F94-R97 PolarHBondContact O-N 3.1Å; F94-T104 HydrophobicContact CD1-CG2 4.38Å; F94-D107 HydrophobicContact CE1-CB 3.93Å; F94-D107 HydrophobicContact CZ-CB 4Å; F94-F108 HydrophobicContact CB-CD2 4.27Å; F94-F108 HydrophobicContact CD1-CB 3.99Å; F94-F108 AromaticContact CD1-CD2 3.78Å; F94-F108 HydrophobicContact CD1-CD2 3.78Å; F94-F108 HydrophobicContact CD1-CG 4.35Å; F94-F108 HydrophobicContact CD2-CD2 4.04Å; F94-F108 HydrophobicContact CE1-CB 3.66Å; F94-F108 HydrophobicContact CE1-CD2 4.06Å; F94-F108 HydrophobicContact CE1-CG 4.39Å; F94-F108 HydrophobicContact CE2-CD2 4.31Å; F94-F108 AromaticContact CG-CD2 3.76Å; F94-F108 HydrophobicContact CG-CD2 3.76Å; F94-F108 HydrophobicContact CG-CE2 4.42Å; F94-F108 HydrophobicContact CZ-CB 4.21Å; F94-F108 HydrophobicContact CZ-CD2 4.32Å; F94-I111 HydrophobicContact CD2-CG2 4.48Å; F94-I111 HydrophobicContact CE2-CB 4.23Å; F94-I111 HydrophobicContact CE2-CG1 4.45Å; F94-I111 HydrophobicContact CE2-CG2 3.75Å; F94-I111 HydrophobicContact CZ-CB 4.43Å; F94-I111 HydrophobicContact CZ-CG2 4.14Å
95E90.9Very high93.7Very high44 Ų4452.8 Ų52.821%0.20626%0.263CS..SBendtrans-56.9-41-176.8-173.6178.7-171.500111.8K15 Y19 L92K15-E95 IonicContact NZ-OE1 2.76Å; K15-E95 PolarHBondContact NZ-OE1 2.96Å; K15-E95 IonicContact NZ-OE2 3.34Å; K15-E95 PolarHBondContact NZ-OE2 3.38Å; Y19-E95 PolarHBondContact OH-OE1 3.42Å; L92-E95 VanDerWaalsContact O-CB 3.29Å; L92-E95 WeakPolarHBondContact O-CB 3.18Å; L92-E95 PolarHBondContact O-N 2.91Å
96N89.9Confident93.7Very high145 Ų14556.3 Ų56.378%0.77528%0.282SS*.SBendtrans-111.1-0.8-175.4-62.4-44000114.3F94F94-N96 VanDerWaalsContact C-N 3.26Å; F94-N96 PolarHBondContact O-N 3.38Å
97R94.4Very high93.7Very high91 Ų9157 Ų5734%0.34329%0.287SS..  trans-69.2149.6174.9-68-171.7-168.2-157.24.7109.9Y46 R50 D93 F94 T104 D107Y46-R97 PolarHBondContact OH-O 3.33Å; R50-R97 PolarHBondContact NH1-O 3.46Å; D93-R97 WeakPolarHBondContact O-CG 3.25Å; D93-R97 PolarHBondContact O-NE 3.06Å; F94-R97 PolarHBondContact O-N 3.1Å; R97-T104 HydrophobicContact CB-CG2 3.91Å; R97-D107 IonicContact NH1-OD2 3.16Å; R97-D107 PolarHBondContact NH1-OD2 2.67Å; R97-D107 VanDerWaalsContact NH1-OD2 3.16Å
98K92.4Very high93.7Very high151 Ų15157 Ų5766%0.65729%0.287SS*.  trans-96.4142.1-179-72.1-171.2-172.7179.90109.8E100 D101 T104K98-E100 WeakPolarHBondContact CB-OE2 3.32Å; K98-E100 PolarHBondContact O-N 3.03Å; K98-D101 WeakPolarHBondContact O-CB 3.38Å; K98-D101 PolarHBondContact O-N 3.35Å; K98-T104 WeakPolarHBondContact O-CB 3.45Å; K98-T104 WeakPolarHBondContact O-CG2 3.3Å
99A91.1Very high93.6Very high6 Ų657.3 Ų57.35%0.0529%0.289CS..THydrogen-bonded Turntrans-69.7-14.717900000112.5K43 Y46 M47K43-A99 HydrophobicContact CB-CB 4.22Å; K43-A99 HydrophobicContact CD-CB 4.31Å; K43-A99 HydrophobicContact CG-CB 4.07Å; Y46-A99 HydrophobicContact CD1-CB 3.76Å; Y46-A99 HydrophobicContact CE1-CB 3.92Å; M47-A99 HydrophobicContact SD-CB 4.37Å
100E91.3Very high93.6Very high130 Ų13060.8 Ų60.861%0.60730%0.304SS*.THydrogen-bonded Turntrans-82.8-12.9176.7-59.573-153.500113.4K98K98-E100 WeakPolarHBondContact CB-OE2 3.32Å; K98-E100 PolarHBondContact O-N 3.03Å
101D90.4Very high93.6Very high68 Ų6861.2 Ų61.236%0.36431%0.307SS..SBendtrans-70.3127.2177.8173.943.8000110.6K98 H103 T104K98-D101 WeakPolarHBondContact O-CB 3.38Å; K98-D101 PolarHBondContact O-N 3.35Å; D101-H103 PolarHBondContact O-N 3.19Å; D101-T104 WeakPolarHBondContact CB-OG1 3.35Å; D101-T104 PolarHBondContact O-N 2.85Å; D101-T104 VanDerWaalsContact O-N 3.14Å; D101-T104 PolarHBondContact OD2-OG1 3.01Å
102P79.3Confident93.6Very high112 Ų11261.2 Ų61.273%0.72731%0.307SS*.THydrogen-bonded Turntrans-56-27.5-169.8-29.836000116.1
103H92.8Very high93.6Very high122 Ų12262 Ų6257%0.56531%0.31SS*.THydrogen-bonded Turntrans-100.2-18.8-177.1-62.3-64.6000113.7D101 L105 N106 D107D101-H103 PolarHBondContact O-N 3.19Å; H103-L105 PolarHBondContact O-N 2.81Å; H103-N106 PolarHBondContact O-N 3.29Å; H103-D107 WeakPolarHBondContact O-CB 3.4Å; H103-D107 VanDerWaalsContact O-CG 3.3Å; H103-D107 PolarHBondContact O-N 3.1Å
104T95.3Very high93.8Very high0 Ų061.5 Ų61.50%031%0.308CS..Hα-helixtrans-61-40.1-168.6-79.50000113.2Y46 F94 R97 K98 D101 F108Y46-T104 HydrophobicContact CE1-CG2 4.05Å; Y46-T104 HydrophobicContact CE2-CG2 3.94Å; Y46-T104 WeakPolarHBondContact OH-CG2 3.11Å; F94-T104 HydrophobicContact CD1-CG2 4.38Å; R97-T104 HydrophobicContact CB-CG2 3.91Å; K98-T104 WeakPolarHBondContact O-CB 3.45Å; K98-T104 WeakPolarHBondContact O-CG2 3.3Å; D101-T104 WeakPolarHBondContact CB-OG1 3.35Å; D101-T104 PolarHBondContact O-N 2.85Å; D101-T104 VanDerWaalsContact O-N 3.14Å; D101-T104 PolarHBondContact OD2-OG1 3.01Å; T104-F108 VanDerWaalsContact O-CB 3.27Å; T104-F108 WeakPolarHBondContact O-CB 3.43Å; T104-F108 PolarHBondContact O-N 3.48Å
105L95.4Very high93.8Very high27 Ų2761.1 Ų61.114%0.14131%0.306CS..Hα-helixtrans-70-44.3-179.2-61.3179.7000111.8E42 K43 Y46 H103 F108 L109E42-L105 HydrophobicContact CB-CD1 4.5Å; E42-L105 HydrophobicContact CG-CD1 4.18Å; E42-L105 HydrophobicContact CG-CD2 4.43Å; K43-L105 HydrophobicContact CG-CD1 4.04Å; Y46-L105 HydrophobicContact CD1-CD2 3.9Å; Y46-L105 HydrophobicContact CD2-CD2 4.33Å; Y46-L105 HydrophobicContact CG-CD2 3.7Å; H103-L105 PolarHBondContact O-N 2.81Å; L105-F108 WeakPolarHBondContact O-CB 3.33Å; L105-F108 PolarHBondContact O-N 2.79Å; L105-L109 PolarHBondContact O-N 3.19Å
106N95.2Very high94Very high81 Ų8162 Ų6243%0.43331%0.308SS..Hα-helixtrans-65.3-46177.1-17380.3000111.9H103 F108 L109 E110H103-N106 PolarHBondContact O-N 3.29Å; N106-F108 PolarHBondContact O-N 2.72Å; N106-L109 WeakPolarHBondContact O-CB 3.32Å; N106-L109 PolarHBondContact O-N 3.44Å; N106-E110 WeakPolarHBondContact O-CG 3.35Å; N106-E110 PolarHBondContact O-N 3.31Å
107D96.7Very high94.3Very high63 Ų6358.6 Ų58.634%0.33729%0.29SS..Hα-helixtrans-57.2-38.6174.6-73.80.4000111.5F94 R97 H103 I111F94-D107 HydrophobicContact CE1-CB 3.93Å; F94-D107 HydrophobicContact CZ-CB 4Å; R97-D107 IonicContact NH1-OD2 3.16Å; R97-D107 PolarHBondContact NH1-OD2 2.67Å; R97-D107 VanDerWaalsContact NH1-OD2 3.16Å; H103-D107 WeakPolarHBondContact O-CB 3.4Å; H103-D107 VanDerWaalsContact O-CG 3.3Å; H103-D107 PolarHBondContact O-N 3.1Å; D107-I111 PolarHBondContact O-N 2.65Å
108F97.7Very high94.4Very high0 Ų056.3 Ų56.30%028%0.281CS..Hα-helixtrans-69.3-43.1177.7-173-107000111.6Y46 L49 R50 L53 L91 F94 T104 L105 N106 E110 I111 L112 H168Y46-F108 HydrophobicContact CD2-CB 3.99Å; Y46-F108 AromaticContact CD2-CD1 3.61Å; Y46-F108 HydrophobicContact CD2-CD1 3.61Å; Y46-F108 AromaticContact CD2-CD2 3.94Å; Y46-F108 HydrophobicContact CD2-CD2 3.94Å; Y46-F108 AromaticContact CD2-CE1 3.96Å; Y46-F108 HydrophobicContact CD2-CE1 3.96Å; Y46-F108 HydrophobicContact CD2-CE2 4.29Å; Y46-F108 AromaticContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CG 3.58Å; Y46-F108 HydrophobicContact CD2-CZ 4.29Å; Y46-F108 HydrophobicContact CE2-CB 4.15Å; Y46-F108 HydrophobicContact CE2-CD1 4.38Å; Y46-F108 AromaticContact CE2-CD2 3.9Å; Y46-F108 HydrophobicContact CE2-CD2 3.9Å; Y46-F108 HydrophobicContact CE2-CE2 4.36Å; Y46-F108 AromaticContact CE2-CG 3.9Å; Y46-F108 HydrophobicContact CE2-CG 3.9Å; L49-F108 HydrophobicContact CB-CE1 3.98Å; L49-F108 HydrophobicContact CB-CZ 3.8Å; L49-F108 HydrophobicContact CD1-CE1 4.4Å; R50-F108 HydrophobicContact CB-CE2 4.2Å; R50-F108 HydrophobicContact CB-CZ 4.39Å; L53-F108 HydrophobicContact CD1-CZ 4.47Å; L91-F108 HydrophobicContact CD2-CE2 3.86Å; L91-F108 HydrophobicContact CD2-CZ 4.48Å; F94-F108 HydrophobicContact CB-CD2 4.27Å; F94-F108 HydrophobicContact CD1-CB 3.99Å; F94-F108 AromaticContact CD1-CD2 3.78Å; F94-F108 HydrophobicContact CD1-CD2 3.78Å; F94-F108 HydrophobicContact CD1-CG 4.35Å; F94-F108 HydrophobicContact CD2-CD2 4.04Å; F94-F108 HydrophobicContact CE1-CB 3.66Å; F94-F108 HydrophobicContact CE1-CD2 4.06Å; F94-F108 HydrophobicContact CE1-CG 4.39Å; F94-F108 HydrophobicContact CE2-CD2 4.31Å; F94-F108 AromaticContact CG-CD2 3.76Å; F94-F108 HydrophobicContact CG-CD2 3.76Å; F94-F108 HydrophobicContact CG-CE2 4.42Å; F94-F108 HydrophobicContact CZ-CB 4.21Å; F94-F108 HydrophobicContact CZ-CD2 4.32Å; T104-F108 VanDerWaalsContact O-CB 3.27Å; T104-F108 WeakPolarHBondContact O-CB 3.43Å; T104-F108 PolarHBondContact O-N 3.48Å; L105-F108 WeakPolarHBondContact O-CB 3.33Å; L105-F108 PolarHBondContact O-N 2.79Å; N106-F108 PolarHBondContact O-N 2.72Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.34Å; F108-I111 HydrophobicContact CD2-CG2 4.25Å; F108-I111 WeakPolarHBondContact O-CG2 3.39Å; F108-I111 PolarHBondContact O-N 3.48Å; F108-L112 HydrophobicContact CD1-CD1 4.02Å; F108-L112 HydrophobicContact CD1-CG 4.16Å; F108-L112 HydrophobicContact CE1-CD1 3.57Å; F108-L112 HydrophobicContact CE1-CD2 4.2Å; F108-L112 HydrophobicContact CE1-CG 3.93Å; F108-L112 HydrophobicContact CE2-CD2 4.23Å; F108-L112 HydrophobicContact CZ-CD1 4.11Å; F108-L112 HydrophobicContact CZ-CD2 3.9Å; F108-L112 HydrophobicContact CZ-CG 4.15Å; F108-L112 VanDerWaalsContact O-CG 3.31Å; F108-L112 WeakPolarHBondContact O-CG 3.12Å; F108-L112 PolarHBondContact O-N 3.01Å; F108-H168 AromaticContact CD1-NE2 3.93Å
109L96.3Very high94.5Very high6 Ų649.1 Ų49.13%0.03125%0.25CC..Hα-helixtrans-56.8-48.6175177.268.1000111.3L105 N106 I111 L112 I113 T169L105-L109 PolarHBondContact O-N 3.19Å; N106-L109 WeakPolarHBondContact O-CB 3.32Å; N106-L109 PolarHBondContact O-N 3.44Å; L109-I111 PolarHBondContact O-N 3.35Å; L109-L112 PolarHBondContact O-N 3.47Å; L109-I113 HydrophobicContact CG-CD1 4.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.34Å; L109-I113 PolarHBondContact O-N 3.03Å; L109-I113 VanDerWaalsContact O-N 3.08Å; L109-T169 HydrophobicContact CD1-CG2 3.97Å
110E96.1Very high94.6Very high88 Ų8852.2 Ų52.241%0.41127%0.265SS..Hα-helixtrans-60.8-44.5177.9-68.3-57.1136.300111.6N106 F108 L112 I113 D114N106-E110 WeakPolarHBondContact O-CG 3.35Å; N106-E110 PolarHBondContact O-N 3.31Å; F108-E110 VanDerWaalsContact C-N 3.34Å; F108-E110 PolarHBondContact O-N 3.34Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.02Å; E110-I113 WeakPolarHBondContact O-CB 3.39Å; E110-I113 PolarHBondContact O-N 3.5Å; E110-I113 VanDerWaalsContact O-N 3.11Å; E110-D114 PolarHBondContact O-N 3.12Å
111I97.4Very high94.6Very high30 Ų3050.7 Ų50.715%0.15426%0.262CS..Hα-helixtrans-64.4-34.5178.3-14360.7000112.1E90 L91 F94 D107 F108 L109 I113 D114 I115E90-I111 HydrophobicContact CB-CD1 4.38Å; E90-I111 HydrophobicContact CB-CG1 4.05Å; E90-I111 HydrophobicContact CG-CD1 4.49Å; L91-I111 HydrophobicContact CD2-CG2 4.44Å; F94-I111 HydrophobicContact CD2-CG2 4.48Å; F94-I111 HydrophobicContact CE2-CB 4.23Å; F94-I111 HydrophobicContact CE2-CG1 4.45Å; F94-I111 HydrophobicContact CE2-CG2 3.75Å; F94-I111 HydrophobicContact CZ-CB 4.43Å; F94-I111 HydrophobicContact CZ-CG2 4.14Å; D107-I111 PolarHBondContact O-N 2.65Å; F108-I111 HydrophobicContact CD2-CG2 4.25Å; F108-I111 WeakPolarHBondContact O-CG2 3.39Å; F108-I111 PolarHBondContact O-N 3.48Å; L109-I111 PolarHBondContact O-N 3.35Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I111-D114 PolarHBondContact O-N 2.93Å; I111-I115 HydrophobicContact CG1-CD1 4.34Å; I111-I115 HydrophobicContact CG2-CD1 4.28Å; I111-I115 VanDerWaalsContact O-CB 3.26Å; I111-I115 WeakPolarHBondContact O-CB 3.41Å; I111-I115 WeakPolarHBondContact O-CD1 3.4Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 2.92Å
112L97.5Very high94.8Very high0 Ų047.5 Ų47.50%024%0.244CC..Hα-helixtrans-66.1-38175.2-68.9-166.4000111.8L49 L53 L91 F108 L109 E110 R116 I165 H168 T169L49-L112 HydrophobicContact CD1-CD1 4.24Å; L53-L112 HydrophobicContact CD1-CD2 3.49Å; L53-L112 VanDerWaalsContact CD1-CD2 3.49Å; L91-L112 HydrophobicContact CD2-CD2 4.03Å; F108-L112 HydrophobicContact CD1-CD1 4.02Å; F108-L112 HydrophobicContact CD1-CG 4.16Å; F108-L112 HydrophobicContact CE1-CD1 3.57Å; F108-L112 HydrophobicContact CE1-CD2 4.2Å; F108-L112 HydrophobicContact CE1-CG 3.93Å; F108-L112 HydrophobicContact CE2-CD2 4.23Å; F108-L112 HydrophobicContact CZ-CD1 4.11Å; F108-L112 HydrophobicContact CZ-CD2 3.9Å; F108-L112 HydrophobicContact CZ-CG 4.15Å; F108-L112 VanDerWaalsContact O-CG 3.31Å; F108-L112 WeakPolarHBondContact O-CG 3.12Å; F108-L112 PolarHBondContact O-N 3.01Å; L109-L112 PolarHBondContact O-N 3.47Å; E110-L112 VanDerWaalsContact C-N 3.28Å; E110-L112 PolarHBondContact O-N 3.02Å; L112-R116 VanDerWaalsContact O-CB 3.31Å; L112-R116 WeakPolarHBondContact O-CB 2.97Å; L112-R116 PolarHBondContact O-N 2.74Å; L112-I165 HydrophobicContact CB-CG2 4.07Å; L112-I165 HydrophobicContact CD2-CD1 4.45Å; L112-I165 HydrophobicContact CD2-CG1 4.19Å; L112-H168 HydrophobicContact CD1-CB 4.02Å; L112-T169 HydrophobicContact CB-CG2 4.33Å
113I95.7Very high95.4Very high39 Ų3944.1 Ų44.120%0.222%0.222CC..Hα-helixtrans-64.1-47.3174.8-67.5167000110.2L109 E110 I111 I115 R116 N117 T169L109-I113 HydrophobicContact CG-CD1 4.3Å; L109-I113 WeakPolarHBondContact O-CG1 3.34Å; L109-I113 PolarHBondContact O-N 3.03Å; L109-I113 VanDerWaalsContact O-N 3.08Å; E110-I113 WeakPolarHBondContact O-CB 3.39Å; E110-I113 PolarHBondContact O-N 3.5Å; E110-I113 VanDerWaalsContact O-N 3.11Å; I111-I113 VanDerWaalsContact C-N 3.34Å; I113-I115 PolarHBondContact O-N 3.35Å; I113-R116 WeakPolarHBondContact O-CB 3.3Å; I113-R116 PolarHBondContact O-N 3.4Å; I113-N117 WeakPolarHBondContact O-CB 3.46Å; I113-N117 PolarHBondContact O-N 3.43Å; I113-N117 PolarHBondContact O-ND2 3.2Å; I113-T169 HydrophobicContact CG1-CG2 3.91Å
114D97Very high95.3Very high80 Ų8040.6 Ų40.643%0.42821%0.21SC..Hα-helixtrans-60.7-45.1177.6-81.3-14.2000112.3E110 I111 N117 R118E110-D114 PolarHBondContact O-N 3.12Å; I111-D114 PolarHBondContact O-N 2.93Å; D114-N117 PolarHBondContact O-N 2.82Å; D114-R118 WeakPolarHBondContact O-CB 3.09Å; D114-R118 PolarHBondContact O-N 3.33Å
115I97.3Very high95.2Very high0 Ų041.7 Ų41.70%022%0.216CC..Hα-helixtrans-62.2-45176.4-73.9170000110.4L91 I111 I113 N117 R118 H119 F161 I165L91-I115 HydrophobicContact CD1-CD1 4.07Å; L91-I115 HydrophobicContact CD2-CD1 3.93Å; L91-I115 HydrophobicContact CG-CD1 3.7Å; I111-I115 HydrophobicContact CG1-CD1 4.34Å; I111-I115 HydrophobicContact CG2-CD1 4.28Å; I111-I115 VanDerWaalsContact O-CB 3.26Å; I111-I115 WeakPolarHBondContact O-CB 3.41Å; I111-I115 WeakPolarHBondContact O-CD1 3.4Å; I111-I115 WeakPolarHBondContact O-CG1 3.27Å; I111-I115 PolarHBondContact O-N 2.92Å; I113-I115 PolarHBondContact O-N 3.35Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.22Å; I115-R118 PolarHBondContact O-N 2.98Å; I115-H119 WeakPolarHBondContact O-CB 3.3Å; I115-H119 PolarHBondContact O-CD2 2.93Å; I115-H119 PolarHBondContact O-N 2.77Å; I115-H119 VanDerWaalsContact O-N 3.08Å; I115-F161 HydrophobicContact CG2-CE1 3.43Å; I115-F161 VanDerWaalsContact CG2-CE1 3.43Å; I115-F161 HydrophobicContact CG2-CZ 3.55Å; I115-I165 HydrophobicContact CG2-CD1 3.87Å
116R95.6Very high95.2Very high63 Ų6340.5 Ų40.524%0.23821%0.21CC..Hα-helixtrans-57.1-48.3176.6-177.4-176.567.6-1641110.9L112 I113 H119 N120 I165 N166 T169L112-R116 VanDerWaalsContact O-CB 3.31Å; L112-R116 WeakPolarHBondContact O-CB 2.97Å; L112-R116 PolarHBondContact O-N 2.74Å; I113-R116 WeakPolarHBondContact O-CB 3.3Å; I113-R116 PolarHBondContact O-N 3.4Å; R116-H119 PolarHBondContact O-N 3.38Å; R116-N120 PolarHBondContact O-N 3.07Å; R116-N120 PolarHBondContact O-OD1 3.04Å; R116-I165 HydrophobicContact CB-CG2 4Å; R116-I165 HydrophobicContact CG-CG2 4.44Å; R116-N166 WeakPolarHBondContact CD-OD1 3.1Å; R116-T169 PolarHBondContact NH1-OG1 3.09Å
117N94.5Very high95Very high74 Ų7436.7 Ų36.740%0.39619%0.19SC..Hα-helixtrans-64.4-45.2-178.1-67.6-16.7000111.6I113 D114 I115 H119 N120I113-N117 WeakPolarHBondContact O-CB 3.46Å; I113-N117 PolarHBondContact O-N 3.43Å; I113-N117 PolarHBondContact O-ND2 3.2Å; D114-N117 PolarHBondContact O-N 2.82Å; I115-N117 VanDerWaalsContact C-N 3.33Å; I115-N117 PolarHBondContact O-N 3.22Å; N117-H119 PolarHBondContact O-N 3.46Å; N117-N120 WeakPolarHBondContact O-CB 3.28Å; N117-N120 PolarHBondContact O-N 2.98Å; N117-N120 VanDerWaalsContact O-N 3.14Å; N117-N120 PolarHBondContact O-ND2 3.32Å
118R96.7Very high94.7Very high42 Ų4235.8 Ų35.816%0.15818%0.183CC..Hα-helixtrans-58.2-31.9174.9-174.8-173.9-48.61346.7112.9W83 S87 E90 D114 I115W83-R118 HydrophobicContact CB-CG 4.15Å; W83-R118 HydrophobicContact CG-CG 3.91Å; S87-R118 PolarHBondContact OG-NH1 2.87Å; E90-R118 VanDerWaalsContact CD-NH2 3.35Å; E90-R118 IonicContact OE1-CZ 3.81Å; E90-R118 IonicContact OE1-NH1 2.7Å; E90-R118 IonicContact OE1-NH2 2.92Å; E90-R118 PolarHBondContact OE1-NH2 3.46Å; E90-R118 VanDerWaalsContact OE1-NH2 3.12Å; E90-R118 IonicContact OE2-CZ 3.73Å; E90-R118 IonicContact OE2-NH1 3.63Å; E90-R118 PolarHBondContact OE2-NH1 3.02Å; E90-R118 IonicContact OE2-NH2 3.12Å; E90-R118 PolarHBondContact OE2-NH2 2.86Å; D114-R118 WeakPolarHBondContact O-CB 3.09Å; D114-R118 PolarHBondContact O-N 3.33Å; I115-R118 PolarHBondContact O-N 2.98Å
119H96.3Very high94.5Very high1 Ų135.8 Ų35.81%0.00518%0.183CC..THydrogen-bonded Turntrans-89.72.9-177.9-77.4-123.8000113.9Y84 S87 I115 R116 N117 D121 V122 R158Y84-H119 AromaticContact CD2-CE1 3.69Å; Y84-H119 AromaticContact CE2-CE1 3.64Å; Y84-H119 AromaticContact CE2-ND1 3.77Å; S87-H119 PolarHBondContact OG-NE2 2.85Å; I115-H119 WeakPolarHBondContact O-CB 3.3Å; I115-H119 PolarHBondContact O-CD2 2.93Å; I115-H119 PolarHBondContact O-N 2.77Å; I115-H119 VanDerWaalsContact O-N 3.08Å; R116-H119 PolarHBondContact O-N 3.38Å; N117-H119 PolarHBondContact O-N 3.46Å; H119-D121 PolarHBondContact O-N 2.91Å; H119-V122 HydrophobicContact CB-CG2 4.01Å; H119-V122 WeakPolarHBondContact O-CB 3.19Å; H119-V122 WeakPolarHBondContact O-CG2 3.24Å; H119-V122 PolarHBondContact O-N 3.46Å; H119-R158 PolarHBondContact O-NH2 3.49Å
120N91.3Very high94.3Very high70 Ų7035.7 Ų35.737%0.37418%0.183SC..THydrogen-bonded Turntrans-57.4-47-180-79.2-20.7000112R116 N117 V122R116-N120 PolarHBondContact O-N 3.07Å; R116-N120 PolarHBondContact O-OD1 3.04Å; N117-N120 WeakPolarHBondContact O-CB 3.28Å; N117-N120 PolarHBondContact O-N 2.98Å; N117-N120 VanDerWaalsContact O-N 3.14Å; N117-N120 PolarHBondContact O-ND2 3.32Å; N120-V122 VanDerWaalsContact C-N 3.35Å; N120-V122 PolarHBondContact O-N 3.2Å
121D92.3Very high94Very high99 Ų9932.9 Ų32.953%0.52917%0.171SC..THydrogen-bonded Turntrans-91.910.7-174.1-60.8-41.5000114.2W83 H119 V123 P124 T125W83-D121 HydrophobicContact CH2-CB 4.32Å; H119-D121 PolarHBondContact O-N 2.91Å; D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.42Å; D121-P124 HydrophobicContact CB-CG 4.26Å; D121-P124 WeakPolarHBondContact O-CD 3.26Å; D121-P124 WeakPolarHBondContact O-CG 3.25Å; D121-T125 WeakPolarHBondContact O-CB 3.37Å; D121-T125 PolarHBondContact O-N 3.36Å; D121-T125 PolarHBondContact O-OG1 3.5Å
122V94.6Very high93.7Very high0 Ų033.3 Ų33.30%017%0.172CC..Hα-helixtrans-60-40.3179.5165.40000112.1V80 W83 Y84 H119 N120 M126 F154V80-V122 HydrophobicContact CG1-CG1 4.39Å; W83-V122 HydrophobicContact CE3-CG2 3.82Å; W83-V122 HydrophobicContact CZ3-CG2 4.18Å; Y84-V122 HydrophobicContact CE2-CG1 4.01Å; Y84-V122 HydrophobicContact CE2-CG2 4.11Å; H119-V122 HydrophobicContact CB-CG2 4.01Å; H119-V122 WeakPolarHBondContact O-CB 3.19Å; H119-V122 WeakPolarHBondContact O-CG2 3.24Å; H119-V122 PolarHBondContact O-N 3.46Å; N120-V122 VanDerWaalsContact C-N 3.35Å; N120-V122 PolarHBondContact O-N 3.2Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 3.07Å; V122-F154 HydrophobicContact CG1-CE1 3.66Å; V122-F154 HydrophobicContact CG1-CZ 3.5Å; V122-F154 VanDerWaalsContact CG1-CZ 3.5Å
123V91.9Very high93.5Very high42 Ų4233.6 Ų33.626%0.25517%0.173SC..Hα-helixtrans-65.1-58.5-179.6177.70000111.6D121 T125 M126 A127 Y155D121-V123 VanDerWaalsContact C-N 3.31Å; D121-V123 PolarHBondContact O-N 3.42Å; V123-T125 VanDerWaalsContact C-N 3.31Å; V123-T125 PolarHBondContact O-N 3.28Å; V123-M126 PolarHBondContact O-N 3.19Å; V123-A127 WeakPolarHBondContact O-CB 3.35Å; V123-A127 PolarHBondContact O-N 2.99Å; V123-Y155 HydrophobicContact CB-CE1 4.2Å; V123-Y155 HydrophobicContact CG1-CE1 4.15Å; V123-Y155 HydrophobicContact CG2-CD1 3.97Å; V123-Y155 HydrophobicContact CG2-CE1 3.88Å; V123-Y155 PolarHBondContact O-OH 3.5Å
124P90.8Very high93.3Very high48 Ų4835.9 Ų35.931%0.31218%0.182SC..Hα-helixtrans-62.9-36.3178.722.8-32.8000112.5D121 A127 Q128D121-P124 HydrophobicContact CB-CG 4.26Å; D121-P124 WeakPolarHBondContact O-CD 3.26Å; D121-P124 WeakPolarHBondContact O-CG 3.25Å; P124-A127 PolarHBondContact O-N 3.17Å; P124-Q128 WeakPolarHBondContact O-CB 3.25Å; P124-Q128 PolarHBondContact O-N 3.11Å
125T93.3Very high92.9Very high22 Ų2239 Ų3914%0.13519%0.194CC..Hα-helixtrans-67-45178.5-56.70000111.5S76 L79 V80 W83 D121 V123 A127 Q128 G129S76-T125 VanDerWaalsContact CB-O 3.31Å; S76-T125 WeakPolarHBondContact CB-O 3.41Å; S76-T125 WeakPolarHBondContact O-CG2 3.43Å; L79-T125 HydrophobicContact CB-CG2 4.46Å; L79-T125 HydrophobicContact CD2-CG2 4.12Å; V80-T125 HydrophobicContact CG2-CG2 3.79Å; W83-T125 HydrophobicContact CH2-CG2 4.18Å; W83-T125 HydrophobicContact CZ3-CG2 4.02Å; D121-T125 WeakPolarHBondContact O-CB 3.37Å; D121-T125 PolarHBondContact O-N 3.36Å; D121-T125 PolarHBondContact O-OG1 3.5Å; V123-T125 VanDerWaalsContact C-N 3.31Å; V123-T125 PolarHBondContact O-N 3.28Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 3.47Å; T125-Q128 WeakPolarHBondContact O-CB 3.16Å; T125-Q128 PolarHBondContact O-N 3.35Å; T125-G129 PolarHBondContact O-N 3.17Å
126M95.2Very high92.7Very high2 Ų245.9 Ų45.91%0.0122%0.224CC..Hα-helixtrans-66.1-36.9176.9-174.668.3-139.500111.5V77 V80 V122 V123 Q128 G129 V130 F150 L151 F154 Y155V77-M126 HydrophobicContact CG2-CE 3.85Å; V77-M126 HydrophobicContact CG2-SD 4.29Å; V80-M126 HydrophobicContact CG2-CB 4.33Å; V122-M126 WeakPolarHBondContact O-CB 3.43Å; V122-M126 PolarHBondContact O-N 3.07Å; V123-M126 PolarHBondContact O-N 3.19Å; M126-Q128 VanDerWaalsContact C-N 3.35Å; M126-G129 PolarHBondContact O-N 3.37Å; M126-V130 HydrophobicContact CE-CG2 3.94Å; M126-V130 WeakPolarHBondContact O-CG2 3.41Å; M126-V130 PolarHBondContact O-N 3.39Å; M126-F150 HydrophobicContact CE-CE1 3.85Å; M126-F150 HydrophobicContact SD-CE1 4.27Å; M126-L151 HydrophobicContact CE-CD2 4.18Å; M126-L151 HydrophobicContact CG-CD2 3.85Å; M126-F154 HydrophobicContact CB-CE1 4.1Å; M126-F154 HydrophobicContact CG-CD1 4.32Å; M126-F154 HydrophobicContact CG-CE1 3.97Å; M126-Y155 HydrophobicContact CB-CE1 4.45Å; M126-Y155 WeakPolarHBondContact CB-OH 3.33Å; M126-Y155 WeakPolarHBondContact CG-OH 3.36Å
127A91.3Very high92.5Very high2 Ų246.4 Ų46.42%0.01723%0.228CC..Hα-helixtrans-60.1-45.1172.500000111.6V123 P124 T125 G129 V130 I131 Y325V123-A127 WeakPolarHBondContact O-CB 3.35Å; V123-A127 PolarHBondContact O-N 2.99Å; P124-A127 PolarHBondContact O-N 3.17Å; T125-A127 VanDerWaalsContact C-N 3.32Å; T125-A127 PolarHBondContact O-N 3.47Å; A127-G129 VanDerWaalsContact C-N 3.3Å; A127-G129 PolarHBondContact O-N 2.96Å; A127-V130 PolarHBondContact O-N 2.82Å; A127-V130 VanDerWaalsContact O-N 3.11Å; A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 3.25Å; A127-Y325 WeakPolarHBondContact CA-OH 3.42Å; A127-Y325 HydrophobicContact CB-CD1 4.28Å; A127-Y325 HydrophobicContact CB-CD2 4.37Å; A127-Y325 HydrophobicContact CB-CE1 3.75Å; A127-Y325 HydrophobicContact CB-CE2 3.84Å; A127-Y325 VanDerWaalsContact CB-CZ 3.5Å
128Q90.6Very high92.2Very high43 Ų4344.4 Ų44.420%0.20123%0.225CC..Hα-helixtrans-58.9-40.5174.8-174.556.634.700112P124 T125 M126 V130 I131 E132 L313P124-Q128 WeakPolarHBondContact O-CB 3.25Å; P124-Q128 PolarHBondContact O-N 3.11Å; T125-Q128 WeakPolarHBondContact O-CB 3.16Å; T125-Q128 PolarHBondContact O-N 3.35Å; M126-Q128 VanDerWaalsContact C-N 3.35Å; Q128-V130 VanDerWaalsContact C-N 3.3Å; Q128-V130 PolarHBondContact O-N 3.43Å; Q128-I131 PolarHBondContact O-N 3.2Å; Q128-I131 VanDerWaalsContact O-N 3.17Å; Q128-E132 HydrophobicContact CG-CG 4.42Å; Q128-E132 WeakPolarHBondContact O-CB 3.25Å; Q128-E132 VanDerWaalsContact O-CG 3.26Å; Q128-E132 WeakPolarHBondContact O-CG 3.48Å; Q128-E132 PolarHBondContact O-N 3.18Å; Q128-L313 HydrophobicContact CG-CD1 4.48Å
129G93.1Very high91.7Very high0 Ų048.2 Ų48.20%024%0.243CC..Hα-helixtrans-61.9-34.3175.500000114.1L71 T125 M126 A127 Y133L71-G129 WeakPolarHBondContact CD1-O 3.42Å; T125-G129 PolarHBondContact O-N 3.17Å; M126-G129 PolarHBondContact O-N 3.37Å; A127-G129 VanDerWaalsContact C-N 3.3Å; A127-G129 PolarHBondContact O-N 2.96Å; G129-Y133 WeakPolarHBondContact O-CB 3.21Å; G129-Y133 PolarHBondContact O-N 2.78Å; G129-Y133 VanDerWaalsContact O-N 3.17Å
130V92.3Very high91.2Very high4 Ų451.3 Ų51.32%0.02426%0.259CS..Hα-helixtrans-74-36.3175.1177.30000111.1L71 M126 A127 Q128 Y133 K134 I147 L151 M304L71-V130 HydrophobicContact CD1-CG2 4.49Å; M126-V130 HydrophobicContact CE-CG2 3.94Å; M126-V130 WeakPolarHBondContact O-CG2 3.41Å; M126-V130 PolarHBondContact O-N 3.39Å; A127-V130 PolarHBondContact O-N 2.82Å; A127-V130 VanDerWaalsContact O-N 3.11Å; Q128-V130 VanDerWaalsContact C-N 3.3Å; Q128-V130 PolarHBondContact O-N 3.43Å; V130-Y133 PolarHBondContact O-N 2.77Å; V130-K134 WeakPolarHBondContact O-CB 3.06Å; V130-K134 PolarHBondContact O-N 3.37Å; V130-I147 HydrophobicContact CG1-CG2 4.3Å; V130-I147 HydrophobicContact CG2-CG2 4.28Å; V130-L151 HydrophobicContact CG2-CD1 4.14Å; V130-L151 HydrophobicContact CG2-CD2 4.35Å; V130-M304 HydrophobicContact CG1-CE 4.46Å; V130-M304 HydrophobicContact CG1-CG 3.71Å; V130-M304 HydrophobicContact CG1-SD 4.24Å
131I89.6Confident90.9Very high30 Ų3052.5 Ų52.515%0.15427%0.271CS..Hα-helixtrans-64-50.7173.9-67166.5000110.2A127 Q128 Y133 K134 E135 T310 F323A127-I131 WeakPolarHBondContact O-CG1 3.43Å; A127-I131 PolarHBondContact O-N 3.25Å; Q128-I131 PolarHBondContact O-N 3.2Å; Q128-I131 VanDerWaalsContact O-N 3.17Å; I131-Y133 PolarHBondContact O-N 3.03Å; I131-K134 PolarHBondContact O-N 3.47Å; I131-E135 HydrophobicContact CG2-CG 4.23Å; I131-E135 WeakPolarHBondContact CG2-OE1 3.13Å; I131-E135 WeakPolarHBondContact O-CG 3.42Å; I131-E135 PolarHBondContact O-N 2.97Å; I131-T310 HydrophobicContact CD1-CG2 4.4Å; I131-F323 HydrophobicContact CD1-CD1 4.33Å
132E92.1Very high90.5Very high38 Ų3850.8 Ų50.818%0.17826%0.259CS..Hα-helixtrans-51.2-45.4175.3-74.2165.5-174.800111.4Q74 P75 S76 Q128 K136Q74-E132 HydrophobicContact CB-CB 4.42Å; Q74-E132 WeakPolarHBondContact CB-OE2 3.13Å; Q74-E132 HydrophobicContact CG-CB 4.1Å; P75-E132 WeakPolarHBondContact CD-OE2 3.49Å; S76-E132 WeakPolarHBondContact CB-OE2 3.45Å; S76-E132 PolarHBondContact N-OE2 3.08Å; S76-E132 PolarHBondContact OG-OE1 3.42Å; S76-E132 PolarHBondContact OG-OE2 2.93Å; Q128-E132 HydrophobicContact CG-CG 4.42Å; Q128-E132 WeakPolarHBondContact O-CB 3.25Å; Q128-E132 VanDerWaalsContact O-CG 3.26Å; Q128-E132 WeakPolarHBondContact O-CG 3.48Å; Q128-E132 PolarHBondContact O-N 3.18Å; E132-K136 VanDerWaalsContact O-CB 3.29Å; E132-K136 WeakPolarHBondContact O-CB 3.36Å; E132-K136 PolarHBondContact O-N 2.99Å
133Y93.2Very high90.2Very high7 Ų752.6 Ų52.63%0.02727%0.268CS..Hα-helixtrans-63.5-49176169.3-94.7000112.4K70 L71 G129 V130 I131 E135 K136 F137 I143 I147K70-Y133 HydrophobicContact CB-CD2 4.08Å; K70-Y133 HydrophobicContact CB-CE2 3.72Å; L71-Y133 HydrophobicContact CB-CD2 3.96Å; L71-Y133 HydrophobicContact CB-CE2 4.46Å; L71-Y133 HydrophobicContact CB-CG 4.32Å; L71-Y133 HydrophobicContact CD1-CD2 4.46Å; L71-Y133 HydrophobicContact CD1-CG 4.02Å; G129-Y133 WeakPolarHBondContact O-CB 3.21Å; G129-Y133 PolarHBondContact O-N 2.78Å; G129-Y133 VanDerWaalsContact O-N 3.17Å; V130-Y133 PolarHBondContact O-N 2.77Å; I131-Y133 PolarHBondContact O-N 3.03Å; Y133-E135 PolarHBondContact O-N 3.14Å; Y133-K136 PolarHBondContact O-N 3.32Å; Y133-F137 HydrophobicContact CD2-CB 4.47Å; Y133-F137 AromaticContact CD2-CD2 3.46Å; Y133-F137 HydrophobicContact CD2-CD2 3.46Å; Y133-F137 VanDerWaalsContact CD2-CD2 3.46Å; Y133-F137 HydrophobicContact CD2-CE2 4.09Å; Y133-F137 HydrophobicContact CD2-CG 4.33Å; Y133-F137 HydrophobicContact CE2-CB 4.11Å; Y133-F137 AromaticContact CE2-CD2 3.75Å; Y133-F137 HydrophobicContact CE2-CD2 3.75Å; Y133-F137 HydrophobicContact CE2-CG 4.21Å; Y133-F137 HydrophobicContact CG-CD2 4.24Å; Y133-F137 WeakPolarHBondContact O-CB 3.32Å; Y133-F137 WeakPolarHBondContact O-CD2 3.43Å; Y133-F137 PolarHBondContact O-N 2.93Å; Y133-I143 HydrophobicContact CE1-CG2 4.37Å; Y133-I143 WeakPolarHBondContact OH-CD1 3.31Å; Y133-I143 WeakPolarHBondContact OH-CG2 3.27Å; Y133-I147 HydrophobicContact CD1-CD1 4.12Å; Y133-I147 HydrophobicContact CE1-CD1 3.91Å
134K89.9Confident90Very high86 Ų8651 Ų5137%0.37426%0.258SS..Hα-helixtrans-62.6-42.5-177.5-175.3-176.2172.3-175.80111.9V130 I131 K136 G138 M304V130-K134 WeakPolarHBondContact O-CB 3.06Å; V130-K134 PolarHBondContact O-N 3.37Å; I131-K134 PolarHBondContact O-N 3.47Å; K134-K136 VanDerWaalsContact C-N 3.35Å; K134-G138 WeakPolarHBondContact O-CA 3.44Å; K134-G138 PolarHBondContact O-N 3.09Å; K134-M304 HydrophobicContact CB-CE 3.85Å; K134-M304 HydrophobicContact CD-CE 3.97Å; K134-M304 HydrophobicContact CG-CE 3.83Å; K134-M304 PolarHBondContact NZ-O 3.32Å
135E89.1Confident89.9Confident146 Ų14652.3 Ų52.368%0.68227%0.269SS*.Hα-helixtrans-66.4-38.3179.1-70.9177.7169.300111.7I131 Y133I131-E135 HydrophobicContact CG2-CG 4.23Å; I131-E135 WeakPolarHBondContact CG2-OE1 3.13Å; I131-E135 WeakPolarHBondContact O-CG 3.42Å; I131-E135 PolarHBondContact O-N 2.97Å; Y133-E135 PolarHBondContact O-N 3.14Å
136K92.3Very high89.8Confident145 Ų14552.1 Ų52.163%0.6327%0.267SS*.Hα-helixtrans-82.2-33.7-176.5-171.2169.6-177.4172.10114.2E132 Y133 K134E132-K136 VanDerWaalsContact O-CB 3.29Å; E132-K136 WeakPolarHBondContact O-CB 3.36Å; E132-K136 PolarHBondContact O-N 2.99Å; Y133-K136 PolarHBondContact O-N 3.32Å; K134-K136 VanDerWaalsContact C-N 3.35Å
137F91.9Very high89.7Confident74 Ų7452.1 Ų52.133%0.32527%0.267SS..Hα-helixtrans-121.2-4-170.7-56.1-70.6000114.2K70 Y133K70-F137 HydrophobicContact CB-CD2 4.08Å; K70-F137 HydrophobicContact CB-CE1 4.45Å; K70-F137 HydrophobicContact CB-CE2 3.81Å; K70-F137 HydrophobicContact CB-CZ 4Å; K70-F137 HydrophobicContact CD-CD1 3.74Å; K70-F137 HydrophobicContact CD-CD2 4.43Å; K70-F137 HydrophobicContact CD-CE1 3.87Å; K70-F137 HydrophobicContact CD-CG 4.02Å; K70-F137 HydrophobicContact CD-CZ 4.26Å; K70-F137 HydrophobicContact CG-CD1 4.4Å; K70-F137 HydrophobicContact CG-CE1 4.07Å; K70-F137 HydrophobicContact CG-CE2 4.32Å; K70-F137 HydrophobicContact CG-CZ 4.02Å; Y133-F137 HydrophobicContact CD2-CB 4.47Å; Y133-F137 AromaticContact CD2-CD2 3.46Å; Y133-F137 HydrophobicContact CD2-CD2 3.46Å; Y133-F137 VanDerWaalsContact CD2-CD2 3.46Å; Y133-F137 HydrophobicContact CD2-CE2 4.09Å; Y133-F137 HydrophobicContact CD2-CG 4.33Å; Y133-F137 HydrophobicContact CE2-CB 4.11Å; Y133-F137 AromaticContact CE2-CD2 3.75Å; Y133-F137 HydrophobicContact CE2-CD2 3.75Å; Y133-F137 HydrophobicContact CE2-CG 4.21Å; Y133-F137 HydrophobicContact CG-CD2 4.24Å; Y133-F137 WeakPolarHBondContact O-CB 3.32Å; Y133-F137 WeakPolarHBondContact O-CD2 3.43Å; Y133-F137 PolarHBondContact O-N 2.93Å
138G87.9Confident89.9Confident32 Ų3253.3 Ų53.333%0.3327%0.272SS..  trans79.4-165.9-178.300000113.6K134K134-G138 WeakPolarHBondContact O-CA 3.44Å; K134-G138 PolarHBondContact O-N 3.09Å
139F86.2Confident90.2Very high122 Ų12253.6 Ų53.654%0.53527%0.272SS..  trans-108.1124.3179.7179.2-92.2000110.5P141 S144 M304F139-P141 HydrophobicContact CD1-CG 4.45Å; F139-P141 HydrophobicContact CE1-CB 4.24Å; F139-P141 HydrophobicContact CE1-CG 3.92Å; F139-S144 VanDerWaalsContact CE2-CB 3.48Å; F139-S144 VanDerWaalsContact CE2-OG 3.26Å; F139-S144 WeakPolarHBondContact CE2-OG 3.49Å; F139-M304 HydrophobicContact CD2-CE 4.07Å; F139-M304 HydrophobicContact CD2-SD 4.5Å
140D86.4Confident90.4Very high66 Ų6653.7 Ų53.735%0.35327%0.272SS..  trans-117122.1170.8178.3-63.7000108.3F142 I143 S144D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 3.17Å; D140-F142 WeakPolarHBondContact OD1-CA 3.25Å; D140-F142 WeakPolarHBondContact OD1-CB 3.33Å; D140-F142 PolarHBondContact OD1-N 3.41Å; D140-I143 HydrophobicContact CB-CB 4.06Å; D140-I143 HydrophobicContact CB-CD1 3.99Å; D140-I143 HydrophobicContact CB-CG1 4.11Å; D140-I143 PolarHBondContact O-N 3.49Å; D140-I143 PolarHBondContact OD1-N 3.21Å; D140-S144 WeakPolarHBondContact O-CB 3.44Å; D140-S144 PolarHBondContact O-N 3.39Å
141P85.1Confident90.6Very high94 Ų9453.5 Ų53.561%0.6127%0.271SS*.Hα-helixtrans-59.5-38-176.9-22.730.9000114.1F139 S145F139-P141 HydrophobicContact CD1-CG 4.45Å; F139-P141 HydrophobicContact CE1-CB 4.24Å; F139-P141 HydrophobicContact CE1-CG 3.92Å; P141-S145 PolarHBondContact O-N 3.47Å; P141-S145 VanDerWaalsContact O-N 3.12Å
142F84.5Confident91Very high64 Ų6454.1 Ų54.128%0.28128%0.275SS..Hα-helixtrans-70.6-49.4-178.3172.4-94.3000110.3D140 S144 S145 N146 T381 P383D140-F142 VanDerWaalsContact C-N 3.31Å; D140-F142 PolarHBondContact O-N 3.17Å; D140-F142 WeakPolarHBondContact OD1-CA 3.25Å; D140-F142 WeakPolarHBondContact OD1-CB 3.33Å; D140-F142 PolarHBondContact OD1-N 3.41Å; F142-S144 VanDerWaalsContact C-N 3.26Å; F142-S144 PolarHBondContact O-N 3.48Å; F142-S145 WeakPolarHBondContact O-CB 3.26Å; F142-S145 PolarHBondContact O-N 3.37Å; F142-N146 PolarHBondContact O-N 3.01Å; F142-T381 WeakPolarHBondContact CZ-O 3.23Å; F142-P383 HydrophobicContact CB-CG 4.38Å; F142-P383 HydrophobicContact CD1-CG 4.48Å; F142-P383 HydrophobicContact CD2-CG 4.01Å; F142-P383 HydrophobicContact CG-CG 4Å
143I86.9Confident91.3Very high37 Ų3754.3 Ų54.319%0.1927%0.274CS..Hα-helixtrans-63.1-37.5176.2-60.4175000110.6P68 Y133 D140 S145 N146 I147P68-I143 HydrophobicContact CG-CG2 3.83Å; Y133-I143 HydrophobicContact CE1-CG2 4.37Å; Y133-I143 WeakPolarHBondContact OH-CD1 3.31Å; Y133-I143 WeakPolarHBondContact OH-CG2 3.27Å; D140-I143 HydrophobicContact CB-CB 4.06Å; D140-I143 HydrophobicContact CB-CD1 3.99Å; D140-I143 HydrophobicContact CB-CG1 4.11Å; D140-I143 PolarHBondContact O-N 3.49Å; D140-I143 PolarHBondContact OD1-N 3.21Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 2.79Å; I143-N146 PolarHBondContact O-N 3.45Å; I143-I147 HydrophobicContact CG2-CD1 3.74Å; I143-I147 HydrophobicContact CG2-CG1 4.13Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.96Å
144S88.1Confident91.6Very high8 Ų854 Ų546%0.05627%0.273CS..Hα-helixtrans-61.2-38.5177.4-176.90000112.2F139 D140 F142 I147 Q148F139-S144 VanDerWaalsContact CE2-CB 3.48Å; F139-S144 VanDerWaalsContact CE2-OG 3.26Å; F139-S144 WeakPolarHBondContact CE2-OG 3.49Å; D140-S144 WeakPolarHBondContact O-CB 3.44Å; D140-S144 PolarHBondContact O-N 3.39Å; F142-S144 VanDerWaalsContact C-N 3.26Å; F142-S144 PolarHBondContact O-N 3.48Å; S144-I147 PolarHBondContact O-N 3.01Å; S144-Q148 WeakPolarHBondContact O-CB 3.39Å; S144-Q148 PolarHBondContact O-N 3.01Å
145S89.1Confident92Very high76 Ų7650 Ų5053%0.53126%0.255SS..Hα-helixtrans-63.2-42.7174.2-171.40000111.9P141 F142 I143 Q148 Y149P141-S145 PolarHBondContact O-N 3.47Å; P141-S145 VanDerWaalsContact O-N 3.12Å; F142-S145 WeakPolarHBondContact O-CB 3.26Å; F142-S145 PolarHBondContact O-N 3.37Å; I143-S145 VanDerWaalsContact C-N 3.31Å; I143-S145 PolarHBondContact O-N 2.79Å; S145-Q148 WeakPolarHBondContact O-CB 3.24Å; S145-Q148 PolarHBondContact O-N 3.16Å; S145-Y149 WeakPolarHBondContact O-CB 3.5Å; S145-Y149 PolarHBondContact O-N 3.07Å
146N91.1Very high92.4Very high19 Ų1943.9 Ų43.910%0.10223%0.227CC..Hα-helixtrans-65.8-39.6176.6-71.5-0.4000112.3F142 I143 F150 H378F142-N146 PolarHBondContact O-N 3.01Å; I143-N146 PolarHBondContact O-N 3.45Å; N146-F150 WeakPolarHBondContact O-CB 3.39Å; N146-F150 PolarHBondContact O-N 3.04Å; N146-H378 PolarHBondContact OD1-O 3.1Å
147I93.4Very high92.7Very high2 Ų237 Ų371%0.0120%0.198CC..Hα-helixtrans-63.9-43.5173.8-68.4172000110L71 V130 Y133 I143 S144 F150 L151 M304L71-I147 HydrophobicContact CD2-CD1 3.96Å; L71-I147 HydrophobicContact CD2-CG1 3.88Å; V130-I147 HydrophobicContact CG1-CG2 4.3Å; V130-I147 HydrophobicContact CG2-CG2 4.28Å; Y133-I147 HydrophobicContact CD1-CD1 4.12Å; Y133-I147 HydrophobicContact CE1-CD1 3.91Å; I143-I147 HydrophobicContact CG2-CD1 3.74Å; I143-I147 HydrophobicContact CG2-CG1 4.13Å; I143-I147 WeakPolarHBondContact O-CG1 3.34Å; I143-I147 PolarHBondContact O-N 2.96Å; S144-I147 PolarHBondContact O-N 3.01Å; I147-F150 PolarHBondContact O-N 3.44Å; I147-L151 HydrophobicContact CG2-CD1 3.6Å; I147-L151 HydrophobicContact CG2-CG 4.06Å; I147-L151 WeakPolarHBondContact O-CB 3.46Å; I147-L151 VanDerWaalsContact O-CG 3.25Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.32Å; I147-M304 HydrophobicContact CD1-SD 4.23Å; I147-M304 HydrophobicContact CG2-SD 4.48Å
148Q94.7Very high93Very high26 Ų2634.1 Ų34.112%0.12119%0.185CC..Hα-helixtrans-59.6-50.8176.9-175.465.538.200111.4S144 S145 F150 L151 D152 F301 N302 Y303S144-Q148 WeakPolarHBondContact O-CB 3.39Å; S144-Q148 PolarHBondContact O-N 3.01Å; S145-Q148 WeakPolarHBondContact O-CB 3.24Å; S145-Q148 PolarHBondContact O-N 3.16Å; Q148-F150 VanDerWaalsContact C-N 3.29Å; Q148-F150 PolarHBondContact O-N 2.8Å; Q148-L151 PolarHBondContact O-N 3.28Å; Q148-D152 PolarHBondContact NE2-OD1 3.01Å; Q148-D152 PolarHBondContact O-N 3.27Å; Q148-F301 PolarHBondContact NE2-O 3.37Å; Q148-F301 VanDerWaalsContact NE2-O 3.14Å; Q148-N302 VanDerWaalsContact OE1-CA 3.27Å; Q148-Y303 VanDerWaalsContact CD-CD2 3.48Å
149Y96.3Very high93.5Very high50 Ų5032.9 Ų32.920%0.19617%0.171CC..Hα-helixtrans-56.2-44.1177174.8-95.5000111.7S145 R153 A375 H378 Y379S145-Y149 WeakPolarHBondContact O-CB 3.5Å; S145-Y149 PolarHBondContact O-N 3.07Å; Y149-R153 WeakPolarHBondContact O-CD 3.42Å; Y149-R153 VanDerWaalsContact O-CG 3.26Å; Y149-R153 WeakPolarHBondContact O-CG 3.26Å; Y149-R153 PolarHBondContact O-N 2.55Å; Y149-R153 WeakPolarHBondContact OH-CD 3.29Å; Y149-R153 PolarHBondContact OH-NE 3.42Å; Y149-R153 PolarHBondContact OH-NH1 2.89Å; Y149-A375 WeakPolarHBondContact OH-CA 3.39Å; Y149-H378 HydrophobicContact CD1-CB 3.93Å; Y149-H378 HydrophobicContact CE1-CB 3.65Å; Y149-H378 HydrophobicContact CE2-CB 4.27Å; Y149-H378 AromaticContact CE2-CD2 3.7Å; Y149-H378 AromaticContact CE2-CG 3.75Å; Y149-H378 AromaticContact CE2-ND1 3.98Å; Y149-H378 AromaticContact CE2-NE2 3.92Å; Y149-H378 HydrophobicContact CG-CB 4.37Å; Y149-H378 AromaticContact CZ-CD2 3.6Å; Y149-H378 AromaticContact CZ-CG 3.69Å; Y149-Y379 HydrophobicContact CD1-CE1 4.17Å; Y149-Y379 HydrophobicContact CD1-CE2 4.18Å; Y149-Y379 AromaticContact CD1-CZ 3.73Å; Y149-Y379 AromaticContact CE1-CE2 3.78Å; Y149-Y379 HydrophobicContact CE1-CE2 3.78Å; Y149-Y379 AromaticContact CE1-CZ 3.77Å
150F97.3Very high94Very high2 Ų227.1 Ų27.11%0.00915%0.145CC..Hα-helixtrans-62.7-50.8175.3166.9-101.6000112.7E63 V64 L67 M126 N146 I147 Q148 D152 R153 F154 Y379E63-F150 HydrophobicContact CB-CD2 4.35Å; V64-F150 HydrophobicContact CB-CE2 4.22Å; V64-F150 HydrophobicContact CB-CZ 4.47Å; V64-F150 HydrophobicContact CG2-CE2 3.56Å; V64-F150 HydrophobicContact CG2-CZ 3.67Å; L67-F150 HydrophobicContact CD1-CD1 3.84Å; L67-F150 HydrophobicContact CD1-CD2 4.2Å; L67-F150 HydrophobicContact CD1-CE1 3.7Å; L67-F150 HydrophobicContact CD1-CE2 4.05Å; L67-F150 HydrophobicContact CD1-CG 4.11Å; L67-F150 HydrophobicContact CD1-CZ 3.82Å; L67-F150 HydrophobicContact CD2-CB 3.79Å; L67-F150 HydrophobicContact CD2-CD1 3.9Å; L67-F150 HydrophobicContact CD2-CD2 4.1Å; L67-F150 HydrophobicContact CD2-CG 3.64Å; L67-F150 HydrophobicContact CG-CD1 4.38Å; L67-F150 HydrophobicContact CG-CD2 4.25Å; L67-F150 HydrophobicContact CG-CE2 4.49Å; L67-F150 HydrophobicContact CG-CG 4.2Å; M126-F150 HydrophobicContact CE-CE1 3.85Å; M126-F150 HydrophobicContact SD-CE1 4.27Å; N146-F150 WeakPolarHBondContact O-CB 3.39Å; N146-F150 PolarHBondContact O-N 3.04Å; I147-F150 PolarHBondContact O-N 3.44Å; Q148-F150 VanDerWaalsContact C-N 3.29Å; Q148-F150 PolarHBondContact O-N 2.8Å; F150-D152 PolarHBondContact O-N 3.25Å; F150-R153 PolarHBondContact O-N 3.24Å; F150-F154 HydrophobicContact CD1-CB 4.5Å; F150-F154 HydrophobicContact CD2-CB 4.47Å; F150-F154 HydrophobicContact CE1-CB 4.02Å; F150-F154 HydrophobicContact CE1-CD2 4.37Å; F150-F154 HydrophobicContact CE1-CG 4.11Å; F150-F154 HydrophobicContact CE2-CB 4Å; F150-F154 HydrophobicContact CE2-CD2 4.09Å; F150-F154 HydrophobicContact CE2-CG 4.34Å; F150-F154 HydrophobicContact CZ-CB 3.74Å; F150-F154 AromaticContact CZ-CD2 3.56Å; F150-F154 HydrophobicContact CZ-CD2 3.56Å; F150-F154 HydrophobicContact CZ-CE2 4.36Å; F150-F154 AromaticContact CZ-CG 3.72Å; F150-F154 HydrophobicContact CZ-CG 3.72Å; F150-F154 WeakPolarHBondContact O-CB 3.29Å; F150-F154 PolarHBondContact O-N 3.45Å; F150-Y379 WeakPolarHBondContact CA-OH 3.43Å; F150-Y379 HydrophobicContact CB-CE1 4Å
151L97.8Very high94.4Very high0 Ų024.2 Ų24.20%013%0.129CC..Hα-helixtrans-64.6-41-174-70.9173.5000111.6M126 V130 I147 Q148 R153 F154 Y155 Y303M126-L151 HydrophobicContact CE-CD2 4.18Å; M126-L151 HydrophobicContact CG-CD2 3.85Å; V130-L151 HydrophobicContact CG2-CD1 4.14Å; V130-L151 HydrophobicContact CG2-CD2 4.35Å; I147-L151 HydrophobicContact CG2-CD1 3.6Å; I147-L151 HydrophobicContact CG2-CG 4.06Å; I147-L151 WeakPolarHBondContact O-CB 3.46Å; I147-L151 VanDerWaalsContact O-CG 3.25Å; I147-L151 WeakPolarHBondContact O-CG 3.46Å; I147-L151 PolarHBondContact O-N 3.32Å; Q148-L151 PolarHBondContact O-N 3.28Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 2.7Å; L151-F154 PolarHBondContact O-N 3.48Å; L151-Y155 HydrophobicContact CB-CD2 4.11Å; L151-Y155 HydrophobicContact CB-CE2 3.91Å; L151-Y155 HydrophobicContact CD2-CE2 3.69Å; L151-Y155 HydrophobicContact CG-CE2 4.28Å; L151-Y155 WeakPolarHBondContact O-CB 3.39Å; L151-Y155 WeakPolarHBondContact O-CD2 3.31Å; L151-Y155 PolarHBondContact O-N 3.47Å; L151-Y303 HydrophobicContact CB-CD2 3.41Å; L151-Y303 VanDerWaalsContact CB-CD2 3.41Å; L151-Y303 HydrophobicContact CB-CE2 3.29Å; L151-Y303 HydrophobicContact CB-CG 4.17Å; L151-Y303 HydrophobicContact CD1-CD1 4.37Å; L151-Y303 HydrophobicContact CD1-CD2 3.42Å; L151-Y303 VanDerWaalsContact CD1-CD2 3.42Å; L151-Y303 HydrophobicContact CD1-CE2 4.2Å; L151-Y303 HydrophobicContact CD1-CG 3.53Å; L151-Y303 HydrophobicContact CG-CD2 4.07Å; L151-Y303 HydrophobicContact CG-CE2 4.4Å
152D98.3Very high95Very high42 Ų4224.3 Ų24.323%0.22512%0.117CC..Hα-helixtrans-54.2-46.1174.6-82.54.5000110.9Q148 F150 T156 Y303 L332Q148-D152 PolarHBondContact NE2-OD1 3.01Å; Q148-D152 PolarHBondContact O-N 3.27Å; F150-D152 PolarHBondContact O-N 3.25Å; D152-T156 VanDerWaalsContact O-CB 3.25Å; D152-T156 WeakPolarHBondContact O-CB 3.25Å; D152-T156 PolarHBondContact O-N 2.81Å; D152-T156 VanDerWaalsContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 3.27Å; D152-Y303 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y303 WeakPolarHBondContact OD1-CE2 3.4Å; D152-Y303 PolarHBondContact OD1-OH 3.17Å; D152-L332 HydrophobicContact CB-CD2 4.06Å; D152-L332 WeakPolarHBondContact O-CD1 3.48Å
153R98.5Very high95.6Very high42 Ų4221.3 Ų21.316%0.15810%0.104CC..Hα-helixtrans-73.9-46.1-178.6-66.9172.363.185.52111.9E63 Y149 F150 L151 Y155 T156 N157 P369 V370E63-R153 IonicContact OE1-CZ 3.49Å; E63-R153 IonicContact OE1-NE 3.14Å; E63-R153 PolarHBondContact OE1-NE 3.25Å; E63-R153 IonicContact OE1-NH2 2.79Å; E63-R153 PolarHBondContact OE1-NH2 3.04Å; E63-R153 IonicContact OE2-CZ 3.86Å; E63-R153 IonicContact OE2-NE 3.9Å; E63-R153 PolarHBondContact OE2-NE 3.4Å; E63-R153 IonicContact OE2-NH2 3.32Å; Y149-R153 WeakPolarHBondContact O-CD 3.42Å; Y149-R153 VanDerWaalsContact O-CG 3.26Å; Y149-R153 WeakPolarHBondContact O-CG 3.26Å; Y149-R153 PolarHBondContact O-N 2.55Å; Y149-R153 WeakPolarHBondContact OH-CD 3.29Å; Y149-R153 PolarHBondContact OH-NE 3.42Å; Y149-R153 PolarHBondContact OH-NH1 2.89Å; F150-R153 PolarHBondContact O-N 3.24Å; L151-R153 VanDerWaalsContact C-N 3.26Å; L151-R153 PolarHBondContact O-N 2.7Å; R153-Y155 PolarHBondContact O-N 3.46Å; R153-T156 PolarHBondContact O-N 2.85Å; R153-N157 PolarHBondContact O-N 2.88Å; R153-P369 HydrophobicContact CB-CB 3.78Å; R153-P369 HydrophobicContact CB-CG 4.41Å; R153-P369 HydrophobicContact CG-CB 4.06Å; R153-P369 WeakPolarHBondContact O-CG 3.48Å; R153-V370 VanDerWaalsContact NH2-C 3.26Å; R153-V370 PolarHBondContact NH2-O 3.4Å
154F98.4Very high96.2Very high2 Ų219.7 Ų19.71%0.00910%0.096CC..Hα-helixtrans-55.7-50.7177.9176.6-99.1000111.3T60 V64 V80 Y84 V122 M126 F150 L151 N157 R158T60-F154 HydrophobicContact CG2-CD2 3.42Å; T60-F154 VanDerWaalsContact CG2-CD2 3.42Å; T60-F154 HydrophobicContact CG2-CE2 3.85Å; V64-F154 HydrophobicContact CG2-CD2 4.4Å; V80-F154 HydrophobicContact CG1-CE2 4.1Å; V80-F154 HydrophobicContact CG1-CZ 3.67Å; Y84-F154 HydrophobicContact CE1-CE2 4.02Å; Y84-F154 AromaticContact CE2-CE2 3.95Å; Y84-F154 HydrophobicContact CE2-CE2 3.95Å; Y84-F154 AromaticContact CE2-CZ 3.88Å; Y84-F154 HydrophobicContact CE2-CZ 3.88Å; Y84-F154 AromaticContact CZ-CE2 3.53Å; Y84-F154 AromaticContact CZ-CZ 3.73Å; Y84-F154 WeakPolarHBondContact OH-CE2 3.46Å; Y84-F154 WeakPolarHBondContact OH-CZ 3.37Å; V122-F154 HydrophobicContact CG1-CE1 3.66Å; V122-F154 HydrophobicContact CG1-CZ 3.5Å; V122-F154 VanDerWaalsContact CG1-CZ 3.5Å; M126-F154 HydrophobicContact CB-CE1 4.1Å; M126-F154 HydrophobicContact CG-CD1 4.32Å; M126-F154 HydrophobicContact CG-CE1 3.97Å; F150-F154 HydrophobicContact CD1-CB 4.5Å; F150-F154 HydrophobicContact CD2-CB 4.47Å; F150-F154 HydrophobicContact CE1-CB 4.02Å; F150-F154 HydrophobicContact CE1-CD2 4.37Å; F150-F154 HydrophobicContact CE1-CG 4.11Å; F150-F154 HydrophobicContact CE2-CB 4Å; F150-F154 HydrophobicContact CE2-CD2 4.09Å; F150-F154 HydrophobicContact CE2-CG 4.34Å; F150-F154 HydrophobicContact CZ-CB 3.74Å; F150-F154 AromaticContact CZ-CD2 3.56Å; F150-F154 HydrophobicContact CZ-CD2 3.56Å; F150-F154 HydrophobicContact CZ-CE2 4.36Å; F150-F154 AromaticContact CZ-CG 3.72Å; F150-F154 HydrophobicContact CZ-CG 3.72Å; F150-F154 WeakPolarHBondContact O-CB 3.29Å; F150-F154 PolarHBondContact O-N 3.45Å; L151-F154 PolarHBondContact O-N 3.48Å; F154-N157 PolarHBondContact O-N 3.27Å; F154-R158 PolarHBondContact O-N 3.21Å
155Y98.4Very high96.6Very high2 Ų219.4 Ų19.41%0.0089%0.094CC..Hα-helixtrans-72.5-33.8-179.3-67.5-49.7000113V123 M126 L151 R153 N157 R158 I159 Y303 Y325 I329 L332V123-Y155 HydrophobicContact CB-CE1 4.2Å; V123-Y155 HydrophobicContact CG1-CE1 4.15Å; V123-Y155 HydrophobicContact CG2-CD1 3.97Å; V123-Y155 HydrophobicContact CG2-CE1 3.88Å; V123-Y155 PolarHBondContact O-OH 3.5Å; M126-Y155 HydrophobicContact CB-CE1 4.45Å; M126-Y155 WeakPolarHBondContact CB-OH 3.33Å; M126-Y155 WeakPolarHBondContact CG-OH 3.36Å; L151-Y155 HydrophobicContact CB-CD2 4.11Å; L151-Y155 HydrophobicContact CB-CE2 3.91Å; L151-Y155 HydrophobicContact CD2-CE2 3.69Å; L151-Y155 HydrophobicContact CG-CE2 4.28Å; L151-Y155 WeakPolarHBondContact O-CB 3.39Å; L151-Y155 WeakPolarHBondContact O-CD2 3.31Å; L151-Y155 PolarHBondContact O-N 3.47Å; R153-Y155 PolarHBondContact O-N 3.46Å; Y155-N157 VanDerWaalsContact C-N 3.33Å; Y155-N157 PolarHBondContact O-N 3.24Å; Y155-R158 WeakPolarHBondContact O-CB 3.05Å; Y155-R158 PolarHBondContact O-N 3.35Å; Y155-I159 WeakPolarHBondContact O-CG1 3.25Å; Y155-I159 PolarHBondContact O-N 2.88Å; Y155-Y303 AromaticContact CD2-CE1 3.95Å; Y155-Y303 HydrophobicContact CD2-CE1 3.95Å; Y155-Y303 AromaticContact CD2-CZ 3.79Å; Y155-Y303 HydrophobicContact CE2-CD1 4.43Å; Y155-Y303 AromaticContact CE2-CE1 3.91Å; Y155-Y303 HydrophobicContact CE2-CE1 3.91Å; Y155-Y325 HydrophobicContact CE2-CD1 4.03Å; Y155-Y325 AromaticContact CE2-CE1 3.55Å; Y155-Y325 HydrophobicContact CE2-CE1 3.55Å; Y155-Y325 AromaticContact CZ-CE1 3.71Å; Y155-Y325 VanDerWaalsContact OH-CE1 3.26Å; Y155-Y325 WeakPolarHBondContact OH-CE1 3.17Å; Y155-I329 HydrophobicContact CD1-CD1 4.23Å; Y155-I329 HydrophobicContact CD2-CD1 3.44Å; Y155-I329 VanDerWaalsContact CD2-CD1 3.44Å; Y155-I329 HydrophobicContact CE2-CD1 4.09Å; Y155-I329 HydrophobicContact CG-CD1 3.53Å; Y155-L332 VanDerWaalsContact CB-CD1 3.49Å
156T98.6Very high96.9Very high16 Ų1617.2 Ų17.210%0.0988%0.076CC..Hα-helixtrans-60.7-44.3172-62.80000110.9D152 R153 R158 I159 S160 Y336 R367D152-T156 VanDerWaalsContact O-CB 3.25Å; D152-T156 WeakPolarHBondContact O-CB 3.25Å; D152-T156 PolarHBondContact O-N 2.81Å; D152-T156 VanDerWaalsContact O-N 3.12Å; D152-T156 PolarHBondContact O-OG1 3.27Å; R153-T156 PolarHBondContact O-N 2.85Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.03Å; T156-I159 PolarHBondContact O-N 3.45Å; T156-S160 PolarHBondContact O-N 2.76Å; T156-Y336 HydrophobicContact CG2-CD2 4.44Å; T156-R367 WeakPolarHBondContact CG2-O 3.35Å
157N98Very high97.1Very high1 Ų116.7 Ų16.71%0.0057%0.073CC..Hα-helixtrans-63.9-39.4175.8-16150.4000111.6R56 T60 R153 F154 Y155 S160 F161 P369R56-N157 PolarHBondContact O-ND2 3.46Å; T60-N157 WeakPolarHBondContact OG1-CB 3.37Å; T60-N157 PolarHBondContact OG1-ND2 3.02Å; R153-N157 PolarHBondContact O-N 2.88Å; F154-N157 PolarHBondContact O-N 3.27Å; Y155-N157 VanDerWaalsContact C-N 3.33Å; Y155-N157 PolarHBondContact O-N 3.24Å; N157-S160 WeakPolarHBondContact O-CB 3.27Å; N157-S160 PolarHBondContact O-N 2.89Å; N157-S160 PolarHBondContact O-OG 3.38Å; N157-S160 PolarHBondContact OD1-OG 2.78Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.48Å; N157-F161 PolarHBondContact O-N 3.49Å; N157-P369 HydrophobicContact CB-CG 3.79Å
158R97.4Very high97.2Very high14 Ų1416.7 Ų16.75%0.0537%0.073CC..Hα-helixtrans-60.7-44174.8-172.7-79.4-166.4-90.83.2112.2H119 F154 Y155 T156 S160 F161 R162H119-R158 PolarHBondContact O-NH2 3.49Å; F154-R158 PolarHBondContact O-N 3.21Å; Y155-R158 WeakPolarHBondContact O-CB 3.05Å; Y155-R158 PolarHBondContact O-N 3.35Å; T156-R158 VanDerWaalsContact C-N 3.33Å; T156-R158 PolarHBondContact O-N 3.03Å; R158-S160 VanDerWaalsContact C-N 3.29Å; R158-S160 PolarHBondContact O-N 3.12Å; R158-F161 PolarHBondContact O-N 3.3Å; R158-R162 WeakPolarHBondContact O-CB 3.25Å; R158-R162 PolarHBondContact O-N 2.93Å
159I98.4Very high97.2Very high6 Ų615.9 Ų15.93%0.0317%0.07CC..Hα-helixtrans-57-48.9174.1-69.2164.7000109.1Y155 T156 F161 R162 M163 L332 Y333 Y336Y155-I159 WeakPolarHBondContact O-CG1 3.25Å; Y155-I159 PolarHBondContact O-N 2.88Å; T156-I159 PolarHBondContact O-N 3.45Å; I159-F161 VanDerWaalsContact C-N 3.35Å; I159-F161 PolarHBondContact O-N 3.49Å; I159-R162 PolarHBondContact O-N 3.33Å; I159-M163 WeakPolarHBondContact O-CB 3.46Å; I159-M163 PolarHBondContact O-N 3.46Å; I159-L332 HydrophobicContact CD1-CB 3.98Å; I159-Y333 HydrophobicContact CB-CE1 4.45Å; I159-Y333 HydrophobicContact CD1-CD1 3.93Å; I159-Y333 HydrophobicContact CD1-CD2 4.14Å; I159-Y333 HydrophobicContact CD1-CE1 3.95Å; I159-Y333 HydrophobicContact CD1-CE2 4.18Å; I159-Y333 HydrophobicContact CD1-CG 4.03Å; I159-Y333 HydrophobicContact CG1-CD1 4.24Å; I159-Y333 HydrophobicContact CG1-CE1 3.79Å; I159-Y333 HydrophobicContact CG1-CE2 4.45Å; I159-Y333 HydrophobicContact CG2-CD1 4.01Å; I159-Y333 HydrophobicContact CG2-CE1 3.83Å; I159-Y336 HydrophobicContact CG2-CD1 3.67Å; I159-Y336 HydrophobicContact CG2-CD2 4.32Å; I159-Y336 HydrophobicContact CG2-CE1 3.86Å; I159-Y336 HydrophobicContact CG2-CG 3.9Å
160S98.3Very high97Very high0 Ų016.2 Ų16.20%08%0.075CC..Hα-helixtrans-63.1-39.6-179.393.30000113.5R56 T156 N157 R158 M163 L164 Y336R56-S160 PolarHBondContact NH1-OG 2.73Å; T156-S160 PolarHBondContact O-N 2.76Å; N157-S160 WeakPolarHBondContact O-CB 3.27Å; N157-S160 PolarHBondContact O-N 2.89Å; N157-S160 PolarHBondContact O-OG 3.38Å; N157-S160 PolarHBondContact OD1-OG 2.78Å; R158-S160 VanDerWaalsContact C-N 3.29Å; R158-S160 PolarHBondContact O-N 3.12Å; S160-M163 WeakPolarHBondContact O-CB 3.26Å; S160-M163 PolarHBondContact O-N 3.12Å; S160-L164 PolarHBondContact O-N 3.34Å; S160-Y336 WeakPolarHBondContact CA-OH 3.12Å; S160-Y336 VanDerWaalsContact CB-CE2 3.5Å
161F94Very high96.7Very high5 Ų518.2 Ų18.22%0.0229%0.086CC..Hα-helixtrans-67-42.9178.9-171.4-100.8000110.8L53 L57 I115 N157 R158 I159 L164 I165L53-F161 HydrophobicContact CB-CE2 3.92Å; L53-F161 HydrophobicContact CD2-CD2 3.55Å; L53-F161 HydrophobicContact CD2-CE2 3.57Å; L53-F161 HydrophobicContact CD2-CG 4.4Å; L53-F161 HydrophobicContact CD2-CZ 4.44Å; L53-F161 HydrophobicContact CG-CE2 4.23Å; L57-F161 HydrophobicContact CD1-CE2 3.82Å; L57-F161 HydrophobicContact CD1-CZ 4.01Å; L57-F161 HydrophobicContact CD2-CD2 4.32Å; L57-F161 HydrophobicContact CD2-CE2 3.85Å; L57-F161 HydrophobicContact CD2-CZ 4.04Å; L57-F161 HydrophobicContact CG-CD2 4.31Å; L57-F161 HydrophobicContact CG-CE2 3.65Å; L57-F161 HydrophobicContact CG-CZ 4.17Å; I115-F161 HydrophobicContact CG2-CE1 3.43Å; I115-F161 VanDerWaalsContact CG2-CE1 3.43Å; I115-F161 HydrophobicContact CG2-CZ 3.55Å; N157-F161 VanDerWaalsContact O-CB 3.3Å; N157-F161 WeakPolarHBondContact O-CB 3.48Å; N157-F161 PolarHBondContact O-N 3.49Å; R158-F161 PolarHBondContact O-N 3.3Å; I159-F161 VanDerWaalsContact C-N 3.35Å; I159-F161 PolarHBondContact O-N 3.49Å; F161-L164 PolarHBondContact O-N 2.86Å; F161-I165 HydrophobicContact CD1-CD1 3.74Å; F161-I165 HydrophobicContact CE1-CD1 3.34Å; F161-I165 HydrophobicContact CE2-CD1 4.48Å; F161-I165 HydrophobicContact CG-CD1 4.47Å; F161-I165 HydrophobicContact CZ-CD1 3.76Å; F161-I165 WeakPolarHBondContact O-CG1 3.47Å; F161-I165 PolarHBondContact O-N 2.92Å; F161-I165 VanDerWaalsContact O-N 3.09Å
162R96.8Very high96.4Very high96 Ų9619.8 Ų19.836%0.3629%0.092SC..Hα-helixtrans-64.7-39.2173.6-168.1176.2-173.8167.4-1.1111.6R158 I159 N166R158-R162 WeakPolarHBondContact O-CB 3.25Å; R158-R162 PolarHBondContact O-N 2.93Å; I159-R162 PolarHBondContact O-N 3.33Å; R162-N166 WeakPolarHBondContact O-CB 3.47Å; R162-N166 PolarHBondContact O-N 3.03Å
163M98.1Very high95.9Very high1 Ų118.7 Ų18.71%0.0059%0.091CC..Hα-helixtrans-58.1-53176.5-177.264.1-173.400110.8F32 I159 S160 I165 N166 Q167 I187 V237 Y336 F337F32-M163 HydrophobicContact CD2-CE 4.1Å; F32-M163 HydrophobicContact CE2-CE 4.19Å; F32-M163 HydrophobicContact CE2-CG 4.33Å; F32-M163 HydrophobicContact CG-CE 4.35Å; F32-M163 HydrophobicContact CZ-CG 4.13Å; I159-M163 WeakPolarHBondContact O-CB 3.46Å; I159-M163 PolarHBondContact O-N 3.46Å; S160-M163 WeakPolarHBondContact O-CB 3.26Å; S160-M163 PolarHBondContact O-N 3.12Å; M163-I165 PolarHBondContact O-N 2.82Å; M163-N166 PolarHBondContact O-N 3.25Å; M163-Q167 HydrophobicContact CE-CG 3.94Å; M163-Q167 VanDerWaalsContact O-CG 3.3Å; M163-Q167 WeakPolarHBondContact O-CG 3.16Å; M163-Q167 PolarHBondContact O-N 3.35Å; M163-Q167 HydrophobicContact SD-CG 4.49Å; M163-I187 HydrophobicContact CE-CD1 3.82Å; M163-I187 HydrophobicContact CE-CG1 3.85Å; M163-V237 HydrophobicContact CE-CG2 3.72Å; M163-V237 HydrophobicContact SD-CG2 3.93Å; M163-Y336 HydrophobicContact CB-CE1 4.33Å; M163-Y336 VanDerWaalsContact CB-OH 3.31Å; M163-Y336 WeakPolarHBondContact CB-OH 3.37Å; M163-Y336 HydrophobicContact CG-CE1 4.32Å; M163-Y336 WeakPolarHBondContact CG-OH 3.28Å; M163-F337 HydrophobicContact CE-CZ 4.2Å
164L98.4Very high94.7Very high4 Ų423.7 Ų23.72%0.02112%0.121CC..Hα-helixtrans-59.7-48.4179.3-72.8-174.8000113L27 F32 F48 L49 E52 L53 R56 S160 F161 Q167 H168L27-L164 HydrophobicContact CD1-CD2 4.06Å; F32-L164 HydrophobicContact CE1-CD2 3.76Å; F32-L164 HydrophobicContact CZ-CD2 3.74Å; F48-L164 HydrophobicContact CE1-CD1 4.47Å; F48-L164 HydrophobicContact CE1-CD2 4.06Å; L49-L164 HydrophobicContact CD2-CB 3.73Å; L49-L164 HydrophobicContact CD2-CD1 3.85Å; L49-L164 HydrophobicContact CD2-CD2 4.02Å; L49-L164 HydrophobicContact CD2-CG 4.08Å; E52-L164 HydrophobicContact CG-CD1 3.86Å; L53-L164 HydrophobicContact CD2-CB 4.03Å; L53-L164 HydrophobicContact CD2-CD1 3.83Å; R56-L164 VanDerWaalsContact CZ-CD1 3.41Å; S160-L164 PolarHBondContact O-N 3.34Å; F161-L164 PolarHBondContact O-N 2.86Å; L164-Q167 PolarHBondContact O-N 2.95Å; L164-H168 PolarHBondContact O-N 3.48Å
165I97.3Very high93.2Very high1 Ų130.1 Ų30.11%0.00516%0.156CC..Hα-helixtrans-63-47.3179.6-69.9176.6000110.6L53 L112 I115 R116 F161 M163 Q167 H168 T169L53-I165 HydrophobicContact CD1-CG1 4.29Å; L53-I165 HydrophobicContact CD2-CG1 4.37Å; L112-I165 HydrophobicContact CB-CG2 4.07Å; L112-I165 HydrophobicContact CD2-CD1 4.45Å; L112-I165 HydrophobicContact CD2-CG1 4.19Å; I115-I165 HydrophobicContact CG2-CD1 3.87Å; R116-I165 HydrophobicContact CB-CG2 4Å; R116-I165 HydrophobicContact CG-CG2 4.44Å; F161-I165 HydrophobicContact CD1-CD1 3.74Å; F161-I165 HydrophobicContact CE1-CD1 3.34Å; F161-I165 HydrophobicContact CE2-CD1 4.48Å; F161-I165 HydrophobicContact CG-CD1 4.47Å; F161-I165 HydrophobicContact CZ-CD1 3.76Å; F161-I165 WeakPolarHBondContact O-CG1 3.47Å; F161-I165 PolarHBondContact O-N 2.92Å; F161-I165 VanDerWaalsContact O-N 3.09Å; M163-I165 PolarHBondContact O-N 2.82Å; I165-Q167 VanDerWaalsContact C-N 3.32Å; I165-Q167 PolarHBondContact O-N 3.4Å; I165-H168 PolarHBondContact O-N 2.79Å; I165-T169 HydrophobicContact CG2-CG2 3.99Å; I165-T169 WeakPolarHBondContact O-CG2 3.32Å; I165-T169 PolarHBondContact O-N 3.28Å; I165-T169 PolarHBondContact O-OG1 3.24Å; I165-T169 VanDerWaalsContact O-OG1 3.08Å
166N95.1Very high91.3Very high30 Ų3035.6 Ų35.616%0.1619%0.189CC..Hα-helixtrans-59.3-43.7179.8-77.4-4.7000111.5R116 R162 M163 H168 T169 L170R116-N166 WeakPolarHBondContact CD-OD1 3.1Å; R162-N166 WeakPolarHBondContact O-CB 3.47Å; R162-N166 PolarHBondContact O-N 3.03Å; M163-N166 PolarHBondContact O-N 3.25Å; N166-H168 VanDerWaalsContact C-N 3.35Å; N166-H168 PolarHBondContact O-N 3.16Å; N166-T169 WeakPolarHBondContact CA-OG1 3.5Å; N166-T169 PolarHBondContact O-N 3.05Å; N166-T169 PolarHBondContact O-OG1 3.5Å; N166-L170 HydrophobicContact CB-CD1 4.38Å; N166-L170 VanDerWaalsContact O-CB 3.23Å; N166-L170 WeakPolarHBondContact O-CB 3.39Å; N166-L170 WeakPolarHBondContact O-CD1 3.44Å; N166-L170 WeakPolarHBondContact O-CG 3.4Å; N166-L170 PolarHBondContact O-N 2.88Å
167Q95Very high89.4Confident9 Ų937.9 Ų37.94%0.04220%0.201CC..Hα-helixtrans-58.8-46177.2-70.4-60.379.400111.7F32 M163 L164 I165 L171 I184 S186F32-Q167 HydrophobicContact CD1-CG 3.85Å; F32-Q167 HydrophobicContact CE1-CG 4.01Å; M163-Q167 HydrophobicContact CE-CG 3.94Å; M163-Q167 VanDerWaalsContact O-CG 3.3Å; M163-Q167 WeakPolarHBondContact O-CG 3.16Å; M163-Q167 PolarHBondContact O-N 3.35Å; M163-Q167 HydrophobicContact SD-CG 4.49Å; L164-Q167 PolarHBondContact O-N 2.95Å; I165-Q167 VanDerWaalsContact C-N 3.32Å; I165-Q167 PolarHBondContact O-N 3.4Å; Q167-L171 WeakPolarHBondContact O-CB 3.47Å; Q167-L171 WeakPolarHBondContact O-CD1 3.15Å; Q167-L171 WeakPolarHBondContact O-CG 3.42Å; Q167-L171 PolarHBondContact O-N 2.83Å; Q167-L171 VanDerWaalsContact O-N 3.15Å; Q167-I184 PolarHBondContact NE2-O 3.08Å; Q167-S186 PolarHBondContact OE1-OG 3.22Å
168H95.8Very high87.5Confident1 Ų143.4 Ų43.41%0.00524%0.237CC..Hα-helixtrans-64.5-50.5178.1-168.788.2000111.9S45 L49 F108 L112 L164 I165 N166 L170 L171 F172S45-H168 WeakPolarHBondContact CB-ND1 3.49Å; S45-H168 PolarHBondContact OG-ND1 2.91Å; L49-H168 HydrophobicContact CD1-CB 3.56Å; F108-H168 AromaticContact CD1-NE2 3.93Å; L112-H168 HydrophobicContact CD1-CB 4.02Å; L164-H168 PolarHBondContact O-N 3.48Å; I165-H168 PolarHBondContact O-N 2.79Å; N166-H168 VanDerWaalsContact C-N 3.35Å; N166-H168 PolarHBondContact O-N 3.16Å; H168-L170 VanDerWaalsContact C-N 3.3Å; H168-L170 PolarHBondContact O-N 3.1Å; H168-L171 PolarHBondContact O-N 3.47Å; H168-F172 AromaticContact CE1-CD2 3.7Å; H168-F172 AromaticContact CG-CD2 3.92Å; H168-F172 AromaticContact ND1-CD2 3.56Å; H168-F172 AromaticContact ND1-CE2 3.87Å; H168-F172 WeakPolarHBondContact O-CD2 3.48Å; H168-F172 PolarHBondContact O-N 3.17Å
169T94.2Very high85.8Confident9 Ų946.2 Ų46.26%0.05526%0.263CS..Hα-helixtrans-66.2-31.4-176.258.10000112.9L109 L112 I113 R116 I165 N166 G173L109-T169 HydrophobicContact CD1-CG2 3.97Å; L112-T169 HydrophobicContact CB-CG2 4.33Å; I113-T169 HydrophobicContact CG1-CG2 3.91Å; R116-T169 PolarHBondContact NH1-OG1 3.09Å; I165-T169 HydrophobicContact CG2-CG2 3.99Å; I165-T169 WeakPolarHBondContact O-CG2 3.32Å; I165-T169 PolarHBondContact O-N 3.28Å; I165-T169 PolarHBondContact O-OG1 3.24Å; I165-T169 VanDerWaalsContact O-OG1 3.08Å; N166-T169 WeakPolarHBondContact CA-OG1 3.5Å; N166-T169 PolarHBondContact O-N 3.05Å; N166-T169 PolarHBondContact O-OG1 3.5Å; T169-G173 WeakPolarHBondContact O-CA 3.46Å; T169-G173 PolarHBondContact O-N 3Å
170L92.6Very high84.8Confident57 Ų5750.3 Ų50.330%0.29828%0.282SS..Hα-helixtrans-82.3-25.2179.1-70.2168.4000113N166 H168 N177N166-L170 HydrophobicContact CB-CD1 4.38Å; N166-L170 VanDerWaalsContact O-CB 3.23Å; N166-L170 WeakPolarHBondContact O-CB 3.39Å; N166-L170 WeakPolarHBondContact O-CD1 3.44Å; N166-L170 WeakPolarHBondContact O-CG 3.4Å; N166-L170 PolarHBondContact O-N 2.88Å; H168-L170 VanDerWaalsContact C-N 3.3Å; H168-L170 PolarHBondContact O-N 3.1Å; L170-N177 HydrophobicContact CD2-CB 4.47Å
171L91.8Very high83.7Confident45 Ų4555.6 Ų55.624%0.23632%0.316CS..Hα-helixtrans-86.6-35.3178.1-72173000112.7F35 Q167 H168 I184F35-L171 HydrophobicContact CD1-CD1 4.24Å; F35-L171 HydrophobicContact CE1-CD1 4.16Å; Q167-L171 WeakPolarHBondContact O-CB 3.47Å; Q167-L171 WeakPolarHBondContact O-CD1 3.15Å; Q167-L171 WeakPolarHBondContact O-CG 3.42Å; Q167-L171 PolarHBondContact O-N 2.83Å; Q167-L171 VanDerWaalsContact O-N 3.15Å; H168-L171 PolarHBondContact O-N 3.47Å; L171-I184 HydrophobicContact CD2-CG2 4.27Å
172F92.3Very high83.3Confident32 Ų3263.7 Ų63.714%0.1435%0.351CS..Hα-helixtrans-119.2-6.5-171.5-50.9-63.2000113.7F35 A40 E42 H168F35-F172 HydrophobicContact CE1-CE2 4.16Å; F35-F172 AromaticContact CE1-CZ 3.9Å; F35-F172 HydrophobicContact CE1-CZ 3.9Å; F35-F172 HydrophobicContact CZ-CE2 4.41Å; F35-F172 AromaticContact CZ-CZ 3.97Å; F35-F172 HydrophobicContact CZ-CZ 3.97Å; A40-F172 HydrophobicContact CB-CE1 4.42Å; E42-F172 HydrophobicContact CB-CD1 3.65Å; E42-F172 HydrophobicContact CB-CD2 4.39Å; E42-F172 HydrophobicContact CB-CE1 3.82Å; E42-F172 HydrophobicContact CB-CG 3.96Å; E42-F172 HydrophobicContact CB-CZ 4.27Å; E42-F172 HydrophobicContact CG-CB 4.05Å; E42-F172 HydrophobicContact CG-CD1 3.99Å; E42-F172 HydrophobicContact CG-CD2 4.12Å; E42-F172 HydrophobicContact CG-CG 3.77Å; H168-F172 AromaticContact CE1-CD2 3.7Å; H168-F172 AromaticContact CG-CD2 3.92Å; H168-F172 AromaticContact ND1-CD2 3.56Å; H168-F172 AromaticContact ND1-CE2 3.87Å; H168-F172 WeakPolarHBondContact O-CD2 3.48Å; H168-F172 PolarHBondContact O-N 3.17Å
173G87.3Confident83Confident19 Ų1961 Ų6120%0.19634%0.343CS..SBendtrans-75.8160.2173.900000113T169 D175T169-G173 WeakPolarHBondContact O-CA 3.46Å; T169-G173 PolarHBondContact O-N 3Å; G173-D175 PolarHBondContact O-N 3.45Å
174N73.5Confident82.8Confident148 Ų14862.4 Ų62.479%0.79135%0.35SS*.SBendtrans-71.3-14.2178.5-66.9-32.4000113.4T176N174-T176 PolarHBondContact O-N 3.38Å; N174-T176 VanDerWaalsContact O-N 3.14Å
175D65.3Low82.5Confident137 Ų13762.7 Ų62.773%0.73335%0.354SS*.  trans-80.487.4173.2-79-29.6000109.7G173 N177G173-D175 PolarHBondContact O-N 3.45Å; D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact O-N 3.11Å
176T58.4Low82.4Confident117 Ų11763.4 Ų63.472%0.71836%0.359SS*.  trans-60.9115.6157.948.70000106.5N174 P178N174-T176 PolarHBondContact O-N 3.38Å; N174-T176 VanDerWaalsContact O-N 3.14Å; T176-P178 WeakPolarHBondContact O-CD 3.34Å; T176-P178 VanDerWaalsContact O-CG 3.23Å; T176-P178 WeakPolarHBondContact O-CG 3.42Å
177N59.2Low82.5Confident64 Ų6462 Ų6234%0.34235%0.351SS..  trans-65.697.9179.8-176-5.4000108.9L170 D175 A179 H180L170-N177 HydrophobicContact CD2-CB 4.47Å; D175-N177 PolarHBondContact O-N 3.39Å; D175-N177 VanDerWaalsContact O-N 3.11Å; N177-A179 PolarHBondContact O-N 2.91Å; N177-A179 PolarHBondContact OD1-N 3.4Å; N177-H180 CarbonylContact O-C 3.59Å; N177-H180 PolarHBondContact O-N 3.33Å
178P57.8Low82.6Confident117 Ų11762.9 Ų62.976%0.7636%0.356SS*.THydrogen-bonded Turntrans-71.4-21.5-167.8-1027.9000110.8T176 H180T176-P178 WeakPolarHBondContact O-CD 3.34Å; T176-P178 VanDerWaalsContact O-CG 3.23Å; T176-P178 WeakPolarHBondContact O-CG 3.42Å; P178-H180 VanDerWaalsContact C-N 3.35Å
179A63.1Low82.6Confident72 Ų7264.1 Ų64.160%0.59536%0.364SS*.THydrogen-bonded Turntrans-71.5-28.4179.800000112.5N177N177-A179 PolarHBondContact O-N 2.91Å; N177-A179 PolarHBondContact OD1-N 3.4Å
180H76.7Confident82.7Confident93 Ų9368.1 Ų68.143%0.43139%0.385SS..  trans-138.366.6-175.5-58.8-68.7000112.7N177 P178 K182 H183N177-H180 CarbonylContact O-C 3.59Å; N177-H180 PolarHBondContact O-N 3.33Å; P178-H180 VanDerWaalsContact C-N 3.35Å; H180-K182 PolarHBondContact O-N 2.9Å; H180-H183 HydrophobicContact CB-CB 4.3Å; H180-H183 WeakPolarHBondContact CB-ND1 3.48Å; H180-H183 AromaticContact CG-CE1 3.49Å; H180-H183 VanDerWaalsContact CG-CE1 3.49Å; H180-H183 AromaticContact CG-ND1 3.85Å; H180-H183 AromaticContact CG-NE2 3.89Å; H180-H183 AromaticContact ND1-CE1 3.69Å; H180-H183 AromaticContact ND1-NE2 3.81Å; H180-H183 PolarHBondContact O-N 3.34Å; H180-H183 VanDerWaalsContact O-N 3.13Å
181P76Confident83Confident110 Ų11065.5 Ų65.571%0.71437%0.372SS*.THydrogen-bonded Turntrans-67-13.3-174.227.8-36000114.1
182K85.2Confident83.2Confident176 Ų17663.9 Ų63.977%0.76536%0.364SS*.THydrogen-bonded Turntrans-92-6.9178.9-66-178.5-179.41750113.6H180H180-K182 PolarHBondContact O-N 2.9Å
183H91.3Very high83.5Confident39 Ų3962.4 Ų62.418%0.18136%0.358CS..  trans-77.6149.3179.3-69.3-170.1000110.9H180 I187 D188H180-H183 HydrophobicContact CB-CB 4.3Å; H180-H183 WeakPolarHBondContact CB-ND1 3.48Å; H180-H183 AromaticContact CG-CE1 3.49Å; H180-H183 VanDerWaalsContact CG-CE1 3.49Å; H180-H183 AromaticContact CG-ND1 3.85Å; H180-H183 AromaticContact CG-NE2 3.89Å; H180-H183 AromaticContact ND1-CE1 3.69Å; H180-H183 AromaticContact ND1-NE2 3.81Å; H180-H183 PolarHBondContact O-N 3.34Å; H180-H183 VanDerWaalsContact O-N 3.13Å; H183-I187 WeakPolarHBondContact CA-O 3.35Å; H183-D188 IonicContact NE2-OD2 3.14Å
184I92.7Very high84Confident31 Ų3162.4 Ų62.416%0.15936%0.356CS..BIsolated β-bridgetrans-102.594.4170.8-57-57.3000107.6L33 G36 Q167 L171 S186 I187L33-I184 HydrophobicContact CD1-CB 3.89Å; L33-I184 HydrophobicContact CD1-CG1 3.68Å; L33-I184 HydrophobicContact CD1-CG2 4.36Å; G36-I184 VanDerWaalsContact CA-CG2 3.48Å; Q167-I184 PolarHBondContact NE2-O 3.08Å; L171-I184 HydrophobicContact CD2-CG2 4.27Å; I184-S186 PolarHBondContact O-N 3.28Å; I184-I187 PolarHBondContact N-O 3.2Å; I184-I187 PolarHBondContact O-N 3.42Å; I184-I187 VanDerWaalsContact O-N 3.14Å
185G92.8Very high85.2Confident10 Ų1061.4 Ų61.410%0.10335%0.346CS..THydrogen-bonded Turntrans61.9-115.7-163.900000110.5
186S94Very high86.8Confident15 Ų1555.5 Ų55.511%0.10532%0.315CS..THydrogen-bonded Turntrans-97.2-1.417860.50000114.1Q167 I184 P238Q167-S186 PolarHBondContact OE1-OG 3.22Å; I184-S186 PolarHBondContact O-N 3.28Å; S186-P238 WeakPolarHBondContact O-CD 3.28Å
187I97.2Very high88.7Confident0 Ų049.9 Ų49.90%028%0.281CS..BIsolated β-bridgetrans-94.1128.5-178.7-61.9169.8000109.4I29 F32 L33 M163 H183 I184 V235 V237I29-I187 HydrophobicContact CG2-CD1 4.28Å; I29-I187 HydrophobicContact CG2-CG2 4.21Å; F32-I187 HydrophobicContact CB-CD1 3.36Å; F32-I187 HydrophobicContact CD2-CD1 4.47Å; F32-I187 HydrophobicContact CG-CD1 4.12Å; L33-I187 HydrophobicContact CD1-CG2 4.49Å; M163-I187 HydrophobicContact CE-CD1 3.82Å; M163-I187 HydrophobicContact CE-CG1 3.85Å; H183-I187 WeakPolarHBondContact CA-O 3.35Å; I184-I187 PolarHBondContact N-O 3.2Å; I184-I187 PolarHBondContact O-N 3.42Å; I184-I187 VanDerWaalsContact O-N 3.14Å; I187-V235 HydrophobicContact CG2-CG1 3.84Å; I187-V237 HydrophobicContact CG1-CG2 3.89Å
188D97.1Very high90.6Very high28 Ų2848.8 Ų48.815%0.1528%0.278CS..EExtended strand (participates in β ladder)trans-94.6116.1168-175.6-5.1000109.2H183 N190 C191 V235 Y236 P238H183-D188 IonicContact NE2-OD2 3.14Å; D188-N190 PolarHBondContact O-N 3.24Å; D188-N190 PolarHBondContact OD1-N 2.98Å; D188-C191 HydrophobicContact CB-CB 3.99Å; D188-C191 PolarHBondContact OD1-N 3.25Å; D188-C191 WeakPolarHBondContact OD2-CA 3.27Å; D188-C191 PolarHBondContact OD2-N 2.89Å; D188-V235 WeakPolarHBondContact O-CA 3.39Å; D188-Y236 PolarHBondContact N-O 3.49Å; D188-Y236 PolarHBondContact O-N 3.19Å; D188-P238 HydrophobicContact CB-CG 3.56Å
189P96.9Very high92.5Very high27 Ų2747.5 Ų47.518%0.17527%0.265CS..EExtended strand (participates in β ladder)trans-66.5-17.4176.428.3-34.9000113.7L33 V235L33-P189 HydrophobicContact CD1-CB 4.21Å; P189-V235 WeakPolarHBondContact O-CG2 3.44Å
190N96.4Very high94.2Very high94 Ų9444 Ų4450%0.50324%0.236SC..EExtended strand (participates in β ladder)trans-131.234.8-173.5-69.364.7000111.5D188 S192D188-N190 PolarHBondContact O-N 3.24Å; D188-N190 PolarHBondContact OD1-N 2.98Å; N190-S192 PolarHBondContact O-N 2.83Å; N190-S192 VanDerWaalsContact O-N 3.09Å
191C97.4Very high95.3Very high1 Ų140.1 Ų40.11%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-53.9114.3-175.8-172.40000111.5D188 V193 Q233 V234D188-C191 HydrophobicContact CB-CB 3.99Å; D188-C191 PolarHBondContact OD1-N 3.25Å; D188-C191 WeakPolarHBondContact OD2-CA 3.27Å; D188-C191 PolarHBondContact OD2-N 2.89Å; C191-V193 PolarHBondContact O-N 2.68Å; C191-Q233 VanDerWaalsContact O-CA 3.26Å; C191-Q233 WeakPolarHBondContact O-CA 3.44Å; C191-V234 HydrophobicContact CB-CG1 4.21Å; C191-V234 WeakPolarHBondContact CB-O 3.35Å; C191-V234 PolarHBondContact N-O 3.04Å; C191-V234 PolarHBondContact O-N 3.46Å; C191-V234 VanDerWaalsContact O-N 3.11Å
192S97.5Very high96.3Very high12 Ų1238.7 Ų38.78%0.08420%0.204CC..EExtended strand (participates in β ladder)trans-76.8106.5175-177.20000109.4N190 A194 E195 V196N190-S192 PolarHBondContact O-N 2.83Å; N190-S192 VanDerWaalsContact O-N 3.09Å; S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 2.97Å; S192-E195 VanDerWaalsContact CB-OE1 3.27Å; S192-E195 WeakPolarHBondContact CB-OE1 3.47Å; S192-E195 PolarHBondContact O-N 3.27Å; S192-E195 WeakPolarHBondContact OG-CG 3.42Å; S192-E195 PolarHBondContact OG-OE1 3.4Å; S192-V196 PolarHBondContact O-N 3.34Å
193V98.3Very high96.9Very high0 Ų032.5 Ų32.50%018%0.181CC..Hα-helixtrans-65.8-39.2-172.9179.80000111.1C191 E195 V196 V197 I232 V234 L241 V274 L281 I283C191-V193 PolarHBondContact O-N 2.68Å; V193-E195 VanDerWaalsContact C-N 3.35Å; V193-E195 PolarHBondContact O-N 2.69Å; V193-V196 PolarHBondContact O-N 3.11Å; V193-V197 HydrophobicContact CG1-CG2 4.46Å; V193-V197 VanDerWaalsContact O-CG2 3.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.4Å; V193-V197 PolarHBondContact O-N 3.08Å; V193-I232 HydrophobicContact CB-CG2 4.37Å; V193-I232 HydrophobicContact CG2-CG2 4.02Å; V193-I232 PolarHBondContact N-O 2.96Å; V193-V234 HydrophobicContact CG2-CG1 3.74Å; V193-L241 HydrophobicContact CG1-CD2 4.33Å; V193-V274 HydrophobicContact CB-CG1 4.11Å; V193-V274 HydrophobicContact CG1-CG1 3.56Å; V193-V274 HydrophobicContact CG1-CG2 4.23Å; V193-L281 HydrophobicContact CG2-CD1 4.23Å; V193-L281 HydrophobicContact CG2-CD2 3.78Å; V193-I283 HydrophobicContact CG1-CD1 3.6Å; V193-I283 HydrophobicContact CG1-CG1 4Å
194A97.9Very high97.2Very high19 Ų1930.6 Ų30.616%0.15717%0.173CC..Hα-helixtrans-64-37.1178.100000112.7S192 V197 S198S192-A194 VanDerWaalsContact C-N 3.32Å; S192-A194 PolarHBondContact O-N 2.97Å; A194-V197 WeakPolarHBondContact O-CB 3.33Å; A194-V197 PolarHBondContact O-N 3.05Å; A194-S198 PolarHBondContact O-N 3.11Å; A194-S198 PolarHBondContact O-OG 3.04Å
195E98Very high97.4Very high127 Ų12732.1 Ų32.159%0.59318%0.178SC*.Hα-helixtrans-64.8-47.2175.7-74.4163.4-139.500111.1S192 V193 V197 S198 D199S192-E195 VanDerWaalsContact CB-OE1 3.27Å; S192-E195 WeakPolarHBondContact CB-OE1 3.47Å; S192-E195 PolarHBondContact O-N 3.27Å; S192-E195 WeakPolarHBondContact OG-CG 3.42Å; S192-E195 PolarHBondContact OG-OE1 3.4Å; V193-E195 VanDerWaalsContact C-N 3.35Å; V193-E195 PolarHBondContact O-N 2.69Å; E195-V197 PolarHBondContact O-N 3.4Å; E195-S198 WeakPolarHBondContact O-CB 3.46Å; E195-S198 PolarHBondContact O-N 3.37Å; E195-S198 VanDerWaalsContact O-N 3.09Å; E195-D199 PolarHBondContact O-N 3.41Å
196V98.6Very high97.6Very high13 Ų1337.4 Ų37.48%0.07920%0.201CC..Hα-helixtrans-63.4-33177.5-175.30000111.8S192 V193 A200 P238 L241 F242 L245S192-V196 PolarHBondContact O-N 3.34Å; V193-V196 PolarHBondContact O-N 3.11Å; V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.24Å; V196-A200 PolarHBondContact O-N 3.26Å; V196-A200 VanDerWaalsContact O-N 3.07Å; V196-P238 HydrophobicContact CG2-CB 4.32Å; V196-L241 HydrophobicContact CB-CD2 4.04Å; V196-L241 HydrophobicContact CB-CG 4.35Å; V196-L241 HydrophobicContact CG1-CB 4.09Å; V196-L241 HydrophobicContact CG1-CD2 3.98Å; V196-L241 HydrophobicContact CG1-CG 3.76Å; V196-L241 HydrophobicContact CG2-CD2 4.37Å; V196-F242 HydrophobicContact CG1-CB 3.91Å; V196-L245 HydrophobicContact CG1-CD1 4.15Å
197V98.8Very high97.5Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-62.6-48.4171.8168.30000111.2V193 A194 E195 Y201 L218 I220 L245 F249 A272 V274 I283V193-V197 HydrophobicContact CG1-CG2 4.46Å; V193-V197 VanDerWaalsContact O-CG2 3.25Å; V193-V197 WeakPolarHBondContact O-CG2 3.4Å; V193-V197 PolarHBondContact O-N 3.08Å; A194-V197 WeakPolarHBondContact O-CB 3.33Å; A194-V197 PolarHBondContact O-N 3.05Å; E195-V197 PolarHBondContact O-N 3.4Å; V197-Y201 VanDerWaalsContact O-CB 3.32Å; V197-Y201 WeakPolarHBondContact O-CB 3.48Å; V197-Y201 PolarHBondContact O-N 2.85Å; V197-L218 HydrophobicContact CG1-CD2 4.28Å; V197-I220 HydrophobicContact CB-CD1 4.46Å; V197-I220 HydrophobicContact CG1-CD1 3.84Å; V197-I220 HydrophobicContact CG1-CG1 4.2Å; V197-L245 HydrophobicContact CB-CD1 4.42Å; V197-L245 HydrophobicContact CG2-CD1 3.66Å; V197-L245 HydrophobicContact CG2-CD2 4.14Å; V197-F249 HydrophobicContact CG1-CE2 4.17Å; V197-F249 HydrophobicContact CG1-CZ 3.9Å; V197-F249 WeakPolarHBondContact O-CE2 3.33Å; V197-A272 HydrophobicContact CG1-CB 3.88Å; V197-V274 HydrophobicContact CG2-CG2 4.37Å; V197-I283 HydrophobicContact CG2-CG2 4.41Å
198S98.6Very high97.4Very high40 Ų4038.7 Ų38.728%0.2821%0.207SC..Hα-helixtrans-62-48.2177.3-62.20000111.8A194 E195 A200 Y201 D202 I220A194-S198 PolarHBondContact O-N 3.11Å; A194-S198 PolarHBondContact O-OG 3.04Å; E195-S198 WeakPolarHBondContact O-CB 3.46Å; E195-S198 PolarHBondContact O-N 3.37Å; E195-S198 VanDerWaalsContact O-N 3.09Å; S198-A200 PolarHBondContact O-N 3.05Å; S198-Y201 PolarHBondContact O-N 2.94Å; S198-D202 WeakPolarHBondContact O-CB 3.3Å; S198-D202 PolarHBondContact O-N 3.29Å; S198-I220 WeakPolarHBondContact OG-CD1 3.26Å
199D98.4Very high97.2Very high90 Ų9041 Ų4148%0.48122%0.217SC..Hα-helixtrans-60.2-44.1-179.1-70.2-12.7000112.2E195 T203 F242E195-D199 PolarHBondContact O-N 3.41Å; D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 PolarHBondContact O-N 3.19Å; D199-T203 VanDerWaalsContact O-N 3.07Å; D199-T203 PolarHBondContact O-OG1 2.92Å; D199-F242 HydrophobicContact CB-CD2 4.21Å; D199-F242 HydrophobicContact CB-CE2 4.07Å
200A98.6Very high97Very high0 Ų048.1 Ų48.10%025%0.245CC..Hα-helixtrans-66.5-39.9178.100000111.8V196 S198 A204 F242 L245 F246 F249V196-A200 VanDerWaalsContact O-CB 3.23Å; V196-A200 WeakPolarHBondContact O-CB 3.24Å; V196-A200 PolarHBondContact O-N 3.26Å; V196-A200 VanDerWaalsContact O-N 3.07Å; S198-A200 PolarHBondContact O-N 3.05Å; A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 2.86Å; A200-F242 VanDerWaalsContact CA-CE2 3.45Å; A200-F242 HydrophobicContact CB-CD2 3.84Å; A200-F242 HydrophobicContact CB-CE2 4.02Å; A200-F242 HydrophobicContact CB-CG 4.4Å; A200-L245 HydrophobicContact CB-CB 3.59Å; A200-F246 HydrophobicContact CB-CB 4.25Å; A200-F249 HydrophobicContact CB-CD2 4.22Å; A200-F249 HydrophobicContact CB-CE2 4.44Å
201Y98.8Very high96.7Very high10 Ų1051.4 Ų51.44%0.03925%0.252CS..Hα-helixtrans-65-48.5174.9169-93.1000111.5V197 S198 T203 A204 K205 P216 E217 L218 F249 M253V197-Y201 VanDerWaalsContact O-CB 3.32Å; V197-Y201 WeakPolarHBondContact O-CB 3.48Å; V197-Y201 PolarHBondContact O-N 2.85Å; S198-Y201 PolarHBondContact O-N 2.94Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.35Å; Y201-A204 CarbonylContact O-C 3Å; Y201-A204 PolarHBondContact O-N 2.9Å; Y201-A204 VanDerWaalsContact O-N 3.12Å; Y201-K205 HydrophobicContact CE1-CB 4.31Å; Y201-K205 HydrophobicContact CE1-CD 3.8Å; Y201-K205 VanDerWaalsContact O-CB 3.24Å; Y201-K205 WeakPolarHBondContact O-CB 3.38Å; Y201-K205 PolarHBondContact O-N 3.19Å; Y201-P216 WeakPolarHBondContact CE2-O 3.34Å; Y201-P216 PolarHBondContact OH-O 3.33Å; Y201-E217 VanDerWaalsContact OH-CA 3.24Å; Y201-E217 WeakPolarHBondContact OH-CA 3.14Å; Y201-L218 HydrophobicContact CD1-CB 3.81Å; Y201-L218 HydrophobicContact CD1-CD2 3.85Å; Y201-L218 HydrophobicContact CD1-CG 4.41Å; Y201-L218 HydrophobicContact CD2-CB 3.76Å; Y201-L218 HydrophobicContact CD2-CD1 4Å; Y201-L218 HydrophobicContact CD2-CD2 4.18Å; Y201-L218 HydrophobicContact CD2-CG 4.19Å; Y201-L218 HydrophobicContact CE1-CB 3.66Å; Y201-L218 HydrophobicContact CE2-CB 3.6Å; Y201-L218 HydrophobicContact CE2-CD1 4.47Å; Y201-L218 HydrophobicContact CE2-CG 4.49Å; Y201-L218 HydrophobicContact CG-CB 3.87Å; Y201-L218 HydrophobicContact CG-CD1 4.31Å; Y201-L218 HydrophobicContact CG-CD2 3.66Å; Y201-L218 HydrophobicContact CG-CG 4.16Å; Y201-L218 PolarHBondContact OH-N 3.23Å; Y201-F249 AromaticContact CD2-CD1 3.97Å; Y201-F249 HydrophobicContact CD2-CD1 3.97Å; Y201-F249 HydrophobicContact CD2-CE1 4.08Å; Y201-F249 HydrophobicContact CD2-CG 4.36Å; Y201-M253 HydrophobicContact CD2-CE 3.29Å; Y201-M253 HydrophobicContact CE2-CE 3.14Å; Y201-M253 HydrophobicContact CG-CE 4.15Å
202D98.5Very high96.3Very high80 Ų8053.6 Ų53.643%0.42826%0.26SS..Hα-helixtrans-61.7-38.9-178.4-73.9-23.6000111.1S198 K205 M206S198-D202 WeakPolarHBondContact O-CB 3.3Å; S198-D202 PolarHBondContact O-N 3.29Å; D202-K205 WeakPolarHBondContact O-CB 3.13Å; D202-K205 PolarHBondContact O-N 2.87Å; D202-M206 WeakPolarHBondContact O-CG 3.47Å; D202-M206 PolarHBondContact O-N 3.36Å
203T97.4Very high96.1Very high46 Ų4660.7 Ų60.728%0.28230%0.296SS..Hα-helixtrans-66.3-43.2174.5-52.90000112.3D199 Y201 K205 M206 L207 F242 F246D199-T203 WeakPolarHBondContact O-CB 3.36Å; D199-T203 PolarHBondContact O-N 3.19Å; D199-T203 VanDerWaalsContact O-N 3.07Å; D199-T203 PolarHBondContact O-OG1 2.92Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.35Å; T203-K205 VanDerWaalsContact C-N 3.33Å; T203-M206 HydrophobicContact CG2-CE 4.46Å; T203-L207 PolarHBondContact O-N 3.41Å; T203-F242 HydrophobicContact CG2-CZ 4.2Å; T203-F246 HydrophobicContact CG2-CD2 4.12Å; T203-F246 HydrophobicContact CG2-CE2 3.79Å
204A97.3Very high95.8Very high0 Ų062.6 Ų62.60%031%0.312CS..Hα-helixtrans-66-37.5175.400000111.8A200 Y201 L207 C208 F246 F249 K250 M253A200-A204 WeakPolarHBondContact O-CB 3.38Å; A200-A204 PolarHBondContact O-N 2.86Å; Y201-A204 CarbonylContact O-C 3Å; Y201-A204 PolarHBondContact O-N 2.9Å; Y201-A204 VanDerWaalsContact O-N 3.12Å; A204-L207 PolarHBondContact O-N 2.89Å; A204-C208 WeakPolarHBondContact O-CB 3.27Å; A204-C208 PolarHBondContact O-N 3.24Å; A204-F246 HydrophobicContact CB-CD2 3.99Å; A204-F246 HydrophobicContact CB-CE2 4.19Å; A204-F249 HydrophobicContact CB-CB 3.69Å; A204-K250 HydrophobicContact CB-CG 4.06Å; A204-M253 VanDerWaalsContact C-SD 3.54Å; A204-M253 HydrophobicContact CB-CE 4.1Å; A204-M253 HydrophobicContact CB-SD 3.8Å
205K97.6Very high95.7Very high62 Ų6262.7 Ų62.727%0.2731%0.312SS..Hα-helixtrans-60.7-49.1177.6-177.6-179.2175.7175.30110.7Y201 D202 T203 L207 C208 E209 S215 M253Y201-K205 HydrophobicContact CE1-CB 4.31Å; Y201-K205 HydrophobicContact CE1-CD 3.8Å; Y201-K205 VanDerWaalsContact O-CB 3.24Å; Y201-K205 WeakPolarHBondContact O-CB 3.38Å; Y201-K205 PolarHBondContact O-N 3.19Å; D202-K205 WeakPolarHBondContact O-CB 3.13Å; D202-K205 PolarHBondContact O-N 2.87Å; T203-K205 VanDerWaalsContact C-N 3.33Å; K205-L207 VanDerWaalsContact C-N 3.26Å; K205-L207 PolarHBondContact O-N 3.05Å; K205-C208 WeakPolarHBondContact O-CB 3.37Å; K205-C208 PolarHBondContact O-N 2.75Å; K205-C208 VanDerWaalsContact O-N 3.1Å; K205-E209 WeakPolarHBondContact CE-OE1 3.21Å; K205-E209 HydrophobicContact CG-CG 4.31Å; K205-E209 IonicContact NZ-OE1 3.84Å; K205-E209 WeakPolarHBondContact O-CG 3.41Å; K205-E209 PolarHBondContact O-N 3.09Å; K205-S215 VanDerWaalsContact CE-OG 3.3Å; K205-S215 WeakPolarHBondContact CE-OG 3.14Å; K205-S215 WeakPolarHBondContact CG-OG 3.44Å; K205-M253 HydrophobicContact CB-CE 3.85Å
206M96.3Very high95.7Very high121 Ų12156.7 Ų56.760%0.59628%0.284SS*.Hα-helixtrans-55.6-41.2176.1-73.7-172.1-69.900112.3D202 T203 K210D202-M206 WeakPolarHBondContact O-CG 3.47Å; D202-M206 PolarHBondContact O-N 3.36Å; T203-M206 HydrophobicContact CG2-CE 4.46Å; M206-K210 VanDerWaalsContact O-CB 3.3Å; M206-K210 WeakPolarHBondContact O-CB 3.37Å; M206-K210 PolarHBondContact O-N 2.82Å
207L92.6Very high95.7Very high42 Ų4262.4 Ų62.422%0.2231%0.309CS..Hα-helixtrans-70.2-40.6176.6-67.4176.6000112.5T203 A204 K205 K210 Y211 F246 K250 L320T203-L207 PolarHBondContact O-N 3.41Å; A204-L207 PolarHBondContact O-N 2.89Å; K205-L207 VanDerWaalsContact C-N 3.26Å; K205-L207 PolarHBondContact O-N 3.05Å; L207-K210 PolarHBondContact O-N 3.41Å; L207-Y211 PolarHBondContact O-N 2.52Å; L207-F246 HydrophobicContact CD1-CE2 3.72Å; L207-F246 HydrophobicContact CD1-CZ 3.48Å; L207-F246 VanDerWaalsContact CD1-CZ 3.48Å; L207-K250 HydrophobicContact CD1-CD 4.34Å; L207-L320 HydrophobicContact CB-CD1 3.96Å
208C93.9Very high95.7Very high0 Ų064.2 Ų64.20%032%0.319CS..Hα-helixtrans-61.6-48.3176.7-173.30000111.1A204 K205 K210 Y211 Y212 A214 M253A204-C208 WeakPolarHBondContact O-CB 3.27Å; A204-C208 PolarHBondContact O-N 3.24Å; K205-C208 WeakPolarHBondContact O-CB 3.37Å; K205-C208 PolarHBondContact O-N 2.75Å; K205-C208 VanDerWaalsContact O-N 3.1Å; C208-K210 PolarHBondContact O-N 3.2Å; C208-Y211 PolarHBondContact O-N 3.33Å; C208-Y211 VanDerWaalsContact O-N 3.16Å; C208-Y212 PolarHBondContact O-N 2.8Å; C208-A214 PolarHBondContact SG-O 3.36Å; C208-M253 HydrophobicContact CB-CB 4.3Å; C208-M253 HydrophobicContact CB-SD 3.81Å
209E94.6Very high95.7Very high77 Ų7767.5 Ų67.536%0.3633%0.328SS..Hα-helixtrans-65.3-38.3178.8-69.7176.7166.300111.9K205 Y211 L213 S215K205-E209 WeakPolarHBondContact CE-OE1 3.21Å; K205-E209 HydrophobicContact CG-CG 4.31Å; K205-E209 IonicContact NZ-OE1 3.84Å; K205-E209 WeakPolarHBondContact O-CG 3.41Å; K205-E209 PolarHBondContact O-N 3.09Å; E209-Y211 PolarHBondContact O-N 3.22Å; E209-L213 WeakPolarHBondContact O-CA 3.45Å; E209-L213 PolarHBondContact O-N 3.07Å; E209-S215 PolarHBondContact OE1-OG 2.98Å
210K92.4Very high95.7Very high176 Ų17666.2 Ų66.277%0.76532%0.32SS*.Hα-helixtrans-60.8-34.5174.3-177.1177.3177.9-178.80112.5M206 L207 C208M206-K210 VanDerWaalsContact O-CB 3.3Å; M206-K210 WeakPolarHBondContact O-CB 3.37Å; M206-K210 PolarHBondContact O-N 2.82Å; L207-K210 PolarHBondContact O-N 3.41Å; C208-K210 PolarHBondContact O-N 3.2Å
211Y88.6Confident95.7Very high164 Ų16470.8 Ų70.864%0.64334%0.342SS*.Hα-helixtrans-93.3-43.5-175-170.9-96.2000113.5L207 C208 E209L207-Y211 PolarHBondContact O-N 2.52Å; C208-Y211 PolarHBondContact O-N 3.33Å; C208-Y211 VanDerWaalsContact O-N 3.16Å; E209-Y211 PolarHBondContact O-N 3.22Å
212Y90.1Very high95.6Very high47 Ų4774.1 Ų74.118%0.18436%0.358CS..Hα-helixtrans-107.4-3.8-174.8-63.3-72.4000114.2C208 A214 R254 V257 E258 L320C208-Y212 PolarHBondContact O-N 2.8Å; Y212-A214 PolarHBondContact O-N 3.09Å; Y212-R254 WeakPolarHBondContact OH-CG 3.44Å; Y212-V257 HydrophobicContact CD1-CG1 3.84Å; Y212-V257 HydrophobicContact CD2-CB 4.34Å; Y212-V257 HydrophobicContact CD2-CG1 4.12Å; Y212-V257 HydrophobicContact CG-CB 4.35Å; Y212-V257 HydrophobicContact CG-CG1 3.63Å; Y212-E258 HydrophobicContact CE1-CG 4.15Å; Y212-E258 PolarHBondContact OH-OE1 3.17Å; Y212-L320 HydrophobicContact CD2-CD2 4.14Å; Y212-L320 HydrophobicContact CE2-CD2 3.33Å
213L92.1Very high95.6Very high160 Ų16076.5 Ų76.584%0.83837%0.365SS*.SBendtrans59.813.1-174.5-51.4175000114.3E209E209-L213 WeakPolarHBondContact O-CA 3.45Å; E209-L213 PolarHBondContact O-N 3.07Å
214A93.2Very high95.6Very high40 Ų4074.9 Ų74.933%0.33135%0.354SS..  trans-153.3158178.800000110.9C208 Y212 L267C208-A214 PolarHBondContact SG-O 3.36Å; Y212-A214 PolarHBondContact O-N 3.09Å; A214-L267 HydrophobicContact CB-CD1 3.89Å
215S96.4Very high95.5Very high22 Ų2279.7 Ų79.715%0.15438%0.378CS..  trans-151.9146.5175.366.70000111.9K205 E209 L267K205-S215 VanDerWaalsContact CE-OG 3.3Å; K205-S215 WeakPolarHBondContact CE-OG 3.14Å; K205-S215 WeakPolarHBondContact CG-OG 3.44Å; E209-S215 PolarHBondContact OE1-OG 2.98Å; S215-L267 VanDerWaalsContact C-CD1 3.47Å
216P97.6Very high95.1Very high1 Ų182 Ų821%0.00639%0.388CS..PPolyproline II helixtrans-75.3143173.230.5-34.1000111.1Y201 M253 T256 L267 P268 V270Y201-P216 WeakPolarHBondContact CE2-O 3.34Å; Y201-P216 PolarHBondContact OH-O 3.33Å; P216-M253 HydrophobicContact CG-CB 4.35Å; P216-M253 HydrophobicContact CG-CG 3.85Å; P216-T256 HydrophobicContact CB-CG2 4.14Å; P216-T256 HydrophobicContact CG-CG2 4.36Å; P216-L267 HydrophobicContact CB-CB 4.22Å; P216-P268 VanDerWaalsContact CB-O 3.23Å; P216-P268 WeakPolarHBondContact CB-O 3.49Å; P216-V270 HydrophobicContact CB-CG2 4.14Å; P216-V270 HydrophobicContact CG-CG2 3.74Å
217E98.1Very high94.9Very high133 Ų13377.6 Ų77.662%0.62137%0.371SS*.PPolyproline II helixtrans-65.7157.1174.6-66.1-174.4166.100113.2Y201 P269 V270Y201-E217 VanDerWaalsContact OH-CA 3.24Å; Y201-E217 WeakPolarHBondContact OH-CA 3.14Å; E217-P269 HydrophobicContact CB-CB 4.29Å; E217-P269 CarbonylContact O-C 3.49Å; E217-P269 WeakPolarHBondContact O-CA 3.49Å; E217-P269 VanDerWaalsContact O-CB 3.3Å; E217-P269 WeakPolarHBondContact O-CB 3.3Å; E217-V270 PolarHBondContact O-N 3.3Å
218L98.7Very high95Very high37 Ų3780.6 Ų80.619%0.19439%0.393CS..EExtended strand (participates in β ladder)trans-96.4137.5172.9-17763.6000111.7V197 Y201 I220 F249 V270 A272V197-L218 HydrophobicContact CG1-CD2 4.28Å; Y201-L218 HydrophobicContact CD1-CB 3.81Å; Y201-L218 HydrophobicContact CD1-CD2 3.85Å; Y201-L218 HydrophobicContact CD1-CG 4.41Å; Y201-L218 HydrophobicContact CD2-CB 3.76Å; Y201-L218 HydrophobicContact CD2-CD1 4Å; Y201-L218 HydrophobicContact CD2-CD2 4.18Å; Y201-L218 HydrophobicContact CD2-CG 4.19Å; Y201-L218 HydrophobicContact CE1-CB 3.66Å; Y201-L218 HydrophobicContact CE2-CB 3.6Å; Y201-L218 HydrophobicContact CE2-CD1 4.47Å; Y201-L218 HydrophobicContact CE2-CG 4.49Å; Y201-L218 HydrophobicContact CG-CB 3.87Å; Y201-L218 HydrophobicContact CG-CD1 4.31Å; Y201-L218 HydrophobicContact CG-CD2 3.66Å; Y201-L218 HydrophobicContact CG-CG 4.16Å; Y201-L218 PolarHBondContact OH-N 3.23Å; L218-I220 HydrophobicContact CD1-CG1 4.33Å; L218-I220 HydrophobicContact CD2-CD1 3.65Å; L218-I220 HydrophobicContact CD2-CG1 3.6Å; L218-I220 HydrophobicContact CG-CD1 4.37Å; L218-I220 HydrophobicContact CG-CG1 3.76Å; L218-F249 HydrophobicContact CD1-CE1 3.72Å; L218-F249 HydrophobicContact CD1-CZ 3.85Å; L218-V270 WeakPolarHBondContact CA-O 3.49Å; L218-A272 HydrophobicContact CD1-CB 4.04Å
219K98.6Very high94.9Very high110 Ų11090.6 Ų90.648%0.47844%0.436SS..EExtended strand (participates in β ladder)trans-123.4115.5165.8-68.8-177.4177.6-1790110.4P269 V270 K271 A272K219-P269 HydrophobicContact CD-CB 4.13Å; K219-P269 HydrophobicContact CD-CG 3.92Å; K219-P269 HydrophobicContact CG-CB 4.19Å; K219-V270 PolarHBondContact N-O 3.29Å; K219-K271 HydrophobicContact CB-CG 4.39Å; K219-K271 CarbonylContact O-C 3.55Å; K219-K271 WeakPolarHBondContact O-CA 3.22Å; K219-A272 PolarHBondContact O-N 2.87Å
220I98.3Very high95Very high62 Ų6294 Ų9432%0.31845%0.45SS..EExtended strand (participates in β ladder)trans-100.2131.3178.8-50-179.6000110V197 S198 L218 E222 A272V197-I220 HydrophobicContact CB-CD1 4.46Å; V197-I220 HydrophobicContact CG1-CD1 3.84Å; V197-I220 HydrophobicContact CG1-CG1 4.2Å; S198-I220 WeakPolarHBondContact OG-CD1 3.26Å; L218-I220 HydrophobicContact CD1-CG1 4.33Å; L218-I220 HydrophobicContact CD2-CD1 3.65Å; L218-I220 HydrophobicContact CD2-CG1 3.6Å; L218-I220 HydrophobicContact CG-CD1 4.37Å; L218-I220 HydrophobicContact CG-CG1 3.76Å; I220-E222 HydrophobicContact CG2-CG 4.5Å; I220-A272 CarbonylContact C-O 3.58Å; I220-A272 VanDerWaalsContact CA-O 3.32Å; I220-A272 WeakPolarHBondContact CA-O 3.39Å; I220-A272 HydrophobicContact CG1-CB 4.44Å
221E98.1Very high95.2Very high96 Ų9689.1 Ų89.145%0.44944%0.436SS..EExtended strand (participates in β ladder)trans-124.7127.8170.4-68.8176.1-176.400109.8A272 R273 V274E221-A272 PolarHBondContact N-O 3.39Å; E221-R273 HydrophobicContact CB-CG 4.49Å; E221-R273 CarbonylContact O-C 3.55Å; E221-R273 WeakPolarHBondContact O-CA 3.3Å; E221-R273 IonicContact OE2-CZ 3.99Å; E221-R273 VanDerWaalsContact OE2-CZ 3.31Å; E221-R273 IonicContact OE2-NE 3.77Å; E221-R273 PolarHBondContact OE2-NE 2.91Å; E221-R273 IonicContact OE2-NH2 3.31Å; E221-R273 PolarHBondContact OE2-NH2 3.14Å; E221-V274 PolarHBondContact O-N 2.83Å
222E98.1Very high95.6Very high81 Ų8181.3 Ų81.338%0.37941%0.405SS..EExtended strand (participates in β ladder)trans-108.8140.6175.6-63.8-163.1104.300111.9I220 I232 V274I220-E222 HydrophobicContact CG2-CG 4.5Å; E222-I232 HydrophobicContact CB-CD1 4.06Å; E222-I232 HydrophobicContact CG-CD1 4.42Å; E222-I232 VanDerWaalsContact OE1-CB 3.31Å; E222-I232 WeakPolarHBondContact OE1-CB 3.31Å; E222-I232 PolarHBondContact OE1-N 3.41Å; E222-V274 CarbonylContact C-O 3.51Å; E222-V274 VanDerWaalsContact CA-O 3.32Å; E222-V274 WeakPolarHBondContact CA-O 3.45Å; E222-V274 HydrophobicContact CG-CB 4.27Å
223F97.9Very high96Very high130 Ų13083.5 Ų83.557%0.5742%0.418SS*.EExtended strand (participates in β ladder)trans-133.4103.2168.9-178.8-97.4000110.7M225 V274 T275 L276F223-M225 HydrophobicContact CE1-CB 4.19Å; F223-V274 PolarHBondContact N-O 3.36Å; F223-T275 HydrophobicContact CB-CG2 4.13Å; F223-T275 VanDerWaalsContact O-CA 3.3Å; F223-T275 WeakPolarHBondContact O-CA 2.84Å; F223-L276 PolarHBondContact O-N 2.95Å
224N97.6Very high96.3Very high11 Ų1176.3 Ų76.36%0.05938%0.38CS..EExtended strand (participates in β ladder)trans-98.799.6-179.8-171.4-18.7000110.7K226 A227 P228 K230 I232N224-K226 VanDerWaalsContact C-N 3.29Å; N224-K226 PolarHBondContact O-N 3.16Å; N224-K226 PolarHBondContact OD1-N 2.96Å; N224-K226 VanDerWaalsContact OD1-N 3.15Å; N224-A227 WeakPolarHBondContact CB-O 3.46Å; N224-A227 VanDerWaalsContact CG-O 3.27Å; N224-A227 PolarHBondContact ND2-O 3.36Å; N224-A227 CarbonylContact O-C 3.42Å; N224-A227 VanDerWaalsContact O-C 3.31Å; N224-A227 PolarHBondContact O-N 3.23Å; N224-A227 PolarHBondContact OD1-N 2.76Å; N224-P228 WeakPolarHBondContact O-CA 3.46Å; N224-P228 WeakPolarHBondContact O-CD 3.43Å; N224-P228 VanDerWaalsContact O-N 3.1Å; N224-K230 PolarHBondContact ND2-O 2.86Å; N224-I232 HydrophobicContact CB-CD1 4.37Å; N224-I232 HydrophobicContact CB-CG1 3.81Å
225M95.2Very high96.5Very high102 Ų10275.9 Ų75.950%0.50237%0.373SS..SBendtrans-63.4-36.3179.5-175.6-170.4164.900111.9F223 L276 K278F223-M225 HydrophobicContact CE1-CB 4.19Å; M225-L276 WeakPolarHBondContact CB-O 3.23Å; M225-L276 PolarHBondContact N-O 3.09Å; M225-K278 HydrophobicContact CE-CG 4.25Å; M225-K278 HydrophobicContact SD-CG 4.43Å
226K88.3Confident96.6Very high109 Ų10974.8 Ų74.847%0.47437%0.366SS..SBendtrans-71.3-35.9-177.6-68.5-176.3175.81670111.8N224 L276 G277 K278N224-K226 VanDerWaalsContact C-N 3.29Å; N224-K226 PolarHBondContact O-N 3.16Å; N224-K226 PolarHBondContact OD1-N 2.96Å; N224-K226 VanDerWaalsContact OD1-N 3.15Å; K226-L276 HydrophobicContact CD-CD2 4.29Å; K226-L276 HydrophobicContact CD-CG 4.49Å; K226-G277 WeakPolarHBondContact CE-O 3.3Å; K226-K278 PolarHBondContact NZ-O 3.49Å; K226-K278 VanDerWaalsContact NZ-O 3.14Å
227A93.6Very high96.6Very high29 Ų2974.8 Ų74.824%0.2437%0.366CS..  trans-152.288179.900000111N224 K229 K230N224-A227 WeakPolarHBondContact CB-O 3.46Å; N224-A227 VanDerWaalsContact CG-O 3.27Å; N224-A227 PolarHBondContact ND2-O 3.36Å; N224-A227 CarbonylContact O-C 3.42Å; N224-A227 VanDerWaalsContact O-C 3.31Å; N224-A227 PolarHBondContact O-N 3.23Å; N224-A227 PolarHBondContact OD1-N 2.76Å; A227-K229 PolarHBondContact O-N 2.82Å; A227-K230 HydrophobicContact CB-CB 3.94Å; A227-K230 HydrophobicContact CB-CD 3.97Å; A227-K230 HydrophobicContact CB-CG 4.03Å; A227-K230 PolarHBondContact O-N 3.37Å
228P93Very high96.6Very high106 Ų10669.6 Ų69.669%0.68834%0.344SS*.THydrogen-bonded Turntrans-55.9-23-168.6-3136.2000117.1N224N224-P228 WeakPolarHBondContact O-CA 3.46Å; N224-P228 WeakPolarHBondContact O-CD 3.43Å; N224-P228 VanDerWaalsContact O-N 3.1Å
229K93.7Very high96.5Very high210 Ų21071.3 Ų71.391%0.91336%0.359SS*.THydrogen-bonded Turntrans-100.1-1.6-179.5-64.3-175.8177.9-177.80114A227A227-K229 PolarHBondContact O-N 2.82Å
230K95.4Very high96.5Very high148 Ų14866.8 Ų66.864%0.64334%0.339SS*.SBendtrans-103.2142.6-178.7-68.9-170.1177-175.40110.4N224 A227N224-K230 PolarHBondContact ND2-O 2.86Å; A227-K230 HydrophobicContact CB-CB 3.94Å; A227-K230 HydrophobicContact CB-CD 3.97Å; A227-K230 HydrophobicContact CB-CG 4.03Å; A227-K230 PolarHBondContact O-N 3.37Å
231P96.3Very high96.6Very high73 Ų7363.9 Ų63.947%0.47432%0.324SS..PPolyproline II helixtrans-58.4151.117327-34.9000110.4Q233P231-Q233 PolarHBondContact O-N 2.78Å
232I98.3Very high96.6Very high0 Ų062.2 Ų62.20%032%0.316CS..PPolyproline II helixtrans-78.4119-179.7-65.7171.5000109.3V193 E222 N224 V274 L276 L281V193-I232 HydrophobicContact CB-CG2 4.37Å; V193-I232 HydrophobicContact CG2-CG2 4.02Å; V193-I232 PolarHBondContact N-O 2.96Å; E222-I232 HydrophobicContact CB-CD1 4.06Å; E222-I232 HydrophobicContact CG-CD1 4.42Å; E222-I232 VanDerWaalsContact OE1-CB 3.31Å; E222-I232 WeakPolarHBondContact OE1-CB 3.31Å; E222-I232 PolarHBondContact OE1-N 3.41Å; N224-I232 HydrophobicContact CB-CD1 4.37Å; N224-I232 HydrophobicContact CB-CG1 3.81Å; I232-V274 HydrophobicContact CB-CG1 4.25Å; I232-V274 HydrophobicContact CD1-CB 4.12Å; I232-V274 HydrophobicContact CD1-CG1 3.66Å; I232-V274 WeakPolarHBondContact CD1-O 3.37Å; I232-V274 HydrophobicContact CG2-CG1 4.09Å; I232-L276 HydrophobicContact CD1-CB 4.12Å; I232-L276 HydrophobicContact CG1-CB 4.09Å; I232-L276 HydrophobicContact CG2-CB 3.89Å; I232-L276 HydrophobicContact CG2-CD2 4.25Å; I232-L281 HydrophobicContact CG2-CD1 3.52Å
233Q97.5Very high96.6Very high94 Ų9460.8 Ų60.844%0.43931%0.309SS..EExtended strand (participates in β ladder)trans-119.1148.7174.8-69.4-178.2-24.700111.1C191 P231C191-Q233 VanDerWaalsContact O-CA 3.26Å; C191-Q233 WeakPolarHBondContact O-CA 3.44Å; P231-Q233 PolarHBondContact O-N 2.78Å
234V97.8Very high96.6Very high8 Ų854.6 Ų54.65%0.04828%0.282CS..EExtended strand (participates in β ladder)trans-143.9152.417765.10000110.6C191 V193 Y236 L281C191-V234 HydrophobicContact CB-CG1 4.21Å; C191-V234 WeakPolarHBondContact CB-O 3.35Å; C191-V234 PolarHBondContact N-O 3.04Å; C191-V234 PolarHBondContact O-N 3.46Å; C191-V234 VanDerWaalsContact O-N 3.11Å; V193-V234 HydrophobicContact CG2-CG1 3.74Å; V234-Y236 PolarHBondContact O-N 3.3Å; V234-L281 HydrophobicContact CB-CD2 3.89Å; V234-L281 HydrophobicContact CG1-CD2 3.66Å; V234-L281 HydrophobicContact CG2-CD2 4.11Å
235V98.4Very high96.7Very high31 Ų3154 Ų5419%0.18828%0.279CS..EExtended strand (participates in β ladder)trans-82107.4167.9-177.40000107.7I29 L33 I187 D188 P189I29-V235 HydrophobicContact CG2-CB 4.38Å; I29-V235 HydrophobicContact CG2-CG1 3.51Å; L33-V235 HydrophobicContact CD2-CG1 3.98Å; I187-V235 HydrophobicContact CG2-CG1 3.84Å; D188-V235 WeakPolarHBondContact O-CA 3.39Å; P189-V235 WeakPolarHBondContact O-CG2 3.44Å
236Y98.5Very high96.8Very high0 Ų050.2 Ų50.20%026%0.26CS..EExtended strand (participates in β ladder)trans-153.4174.7-176-150.5-109.4000112.7I29 D188 V234 P238 H240 L241 M244 F337 L357I29-Y236 HydrophobicContact CD1-CD2 3.66Å; I29-Y236 HydrophobicContact CD1-CE2 3.91Å; D188-Y236 PolarHBondContact N-O 3.49Å; D188-Y236 PolarHBondContact O-N 3.19Å; V234-Y236 PolarHBondContact O-N 3.3Å; Y236-P238 WeakPolarHBondContact O-CD 3.28Å; Y236-H240 HydrophobicContact CE1-CB 4.09Å; Y236-L241 HydrophobicContact CD1-CB 4.07Å; Y236-L241 HydrophobicContact CE1-CB 4.26Å; Y236-M244 HydrophobicContact CE1-CE 4.49Å; Y236-F337 HydrophobicContact CE2-CB 4.2Å; Y236-F337 HydrophobicContact CE2-CD2 4.09Å; Y236-L357 HydrophobicContact CD1-CD1 4.24Å; Y236-L357 HydrophobicContact CD2-CD1 4.39Å; Y236-L357 HydrophobicContact CE1-CD1 3.97Å; Y236-L357 HydrophobicContact CE1-CD2 4.38Å; Y236-L357 HydrophobicContact CE2-CD1 4.14Å; Y236-L357 HydrophobicContact CE2-CD2 4.1Å; Y236-L357 HydrophobicContact CG-CD1 4.45Å; Y236-L357 WeakPolarHBondContact OH-CD2 3.46Å
237V98.3Very high97.2Very high0 Ų046.2 Ų46.20%024%0.242CC..  trans-92.3105.6172.2-1790000108.1M163 I187 S239 H240 L241 F337M163-V237 HydrophobicContact CE-CG2 3.72Å; M163-V237 HydrophobicContact SD-CG2 3.93Å; I187-V237 HydrophobicContact CG1-CG2 3.89Å; V237-S239 VanDerWaalsContact C-N 3.27Å; V237-S239 WeakPolarHBondContact CG1-OG 3.45Å; V237-S239 PolarHBondContact O-N 2.87Å; V237-H240 HydrophobicContact CB-CB 4.19Å; V237-H240 HydrophobicContact CG1-CB 4.3Å; V237-H240 WeakPolarHBondContact O-CB 3.42Å; V237-H240 PolarHBondContact O-N 3.3Å; V237-H240 VanDerWaalsContact O-N 3.09Å; V237-L241 PolarHBondContact O-N 2.88Å; V237-F337 HydrophobicContact CG2-CE2 4.25Å
238P97.8Very high97.5Very high25 Ų2545 Ų4516%0.16223%0.232CC..Hα-helixtrans-59.1-37-172.2-25.835.6000113.1S186 D188 V196 Y236 H240 L241 F242S186-P238 WeakPolarHBondContact O-CD 3.28Å; D188-P238 HydrophobicContact CB-CG 3.56Å; V196-P238 HydrophobicContact CG2-CB 4.32Å; Y236-P238 WeakPolarHBondContact O-CD 3.28Å; P238-H240 VanDerWaalsContact C-N 3.31Å; P238-H240 PolarHBondContact O-N 3.06Å; P238-L241 PolarHBondContact O-N 3.07Å; P238-F242 WeakPolarHBondContact O-CB 3.49Å; P238-F242 PolarHBondContact O-N 2.81Å
239S97.1Very high97.7Very high73 Ų7339.9 Ų39.951%0.5120%0.199SC..Hα-helixtrans-65.1-31.117961.80000113.7V237 H243V237-S239 VanDerWaalsContact C-N 3.27Å; V237-S239 WeakPolarHBondContact CG1-OG 3.45Å; V237-S239 PolarHBondContact O-N 2.87Å; S239-H243 WeakPolarHBondContact O-CB 3.09Å; S239-H243 PolarHBondContact O-N 3.49Å
240H98.5Very high97.9Very high15 Ų1530.4 Ų30.47%0.06916%0.158CC..Hα-helixtrans-69.5-44.8174.1-67.8-171.2000110.4Y236 V237 P238 H243 M244 Y333Y236-H240 HydrophobicContact CE1-CB 4.09Å; V237-H240 HydrophobicContact CB-CB 4.19Å; V237-H240 HydrophobicContact CG1-CB 4.3Å; V237-H240 WeakPolarHBondContact O-CB 3.42Å; V237-H240 PolarHBondContact O-N 3.3Å; V237-H240 VanDerWaalsContact O-N 3.09Å; P238-H240 VanDerWaalsContact C-N 3.31Å; P238-H240 PolarHBondContact O-N 3.06Å; H240-H243 PolarHBondContact O-N 3.37Å; H240-M244 WeakPolarHBondContact O-CG 3.32Å; H240-M244 PolarHBondContact O-N 3.43Å; H240-Y333 HydrophobicContact CB-CD1 3.86Å; H240-Y333 HydrophobicContact CB-CE1 4.39Å; H240-Y333 AromaticContact CD2-CD1 3.83Å; H240-Y333 AromaticContact CD2-CE1 3.54Å; H240-Y333 AromaticContact CG-CD1 3.59Å; H240-Y333 AromaticContact CG-CE1 3.82Å; H240-Y333 AromaticContact ND1-CD1 3.87Å; H240-Y333 AromaticContact NE2-CE1 3.8Å
241L98.8Very high97.9Very high0 Ų025.9 Ų25.90%014%0.14CC..Hα-helixtrans-63.6-46.5177.4178.257.5000111.4V193 V196 Y236 V237 P238 H243 M244 L245 I283 L357V193-L241 HydrophobicContact CG1-CD2 4.33Å; V196-L241 HydrophobicContact CB-CD2 4.04Å; V196-L241 HydrophobicContact CB-CG 4.35Å; V196-L241 HydrophobicContact CG1-CB 4.09Å; V196-L241 HydrophobicContact CG1-CD2 3.98Å; V196-L241 HydrophobicContact CG1-CG 3.76Å; V196-L241 HydrophobicContact CG2-CD2 4.37Å; Y236-L241 HydrophobicContact CD1-CB 4.07Å; Y236-L241 HydrophobicContact CE1-CB 4.26Å; V237-L241 PolarHBondContact O-N 2.88Å; P238-L241 PolarHBondContact O-N 3.07Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 3.24Å; L241-M244 HydrophobicContact CD1-CE 4.07Å; L241-M244 PolarHBondContact O-N 3.4Å; L241-L245 HydrophobicContact CD1-CD1 3.66Å; L241-L245 HydrophobicContact CD1-CG 4.08Å; L241-L245 HydrophobicContact CD2-CD1 4.47Å; L241-L245 HydrophobicContact CG-CD1 3.7Å; L241-L245 WeakPolarHBondContact O-CG 3.26Å; L241-L245 PolarHBondContact O-N 3.31Å; L241-I283 HydrophobicContact CD1-CD1 3.6Å; L241-L357 HydrophobicContact CD1-CD1 4.19Å
242F98.7Very high98Very high61 Ų6122.7 Ų22.727%0.26812%0.12SC..Hα-helixtrans-54.2-49.6175.1178.6-86.1000111.3V196 D199 A200 T203 P238 M244 L245 F246V196-F242 HydrophobicContact CG1-CB 3.91Å; D199-F242 HydrophobicContact CB-CD2 4.21Å; D199-F242 HydrophobicContact CB-CE2 4.07Å; A200-F242 VanDerWaalsContact CA-CE2 3.45Å; A200-F242 HydrophobicContact CB-CD2 3.84Å; A200-F242 HydrophobicContact CB-CE2 4.02Å; A200-F242 HydrophobicContact CB-CG 4.4Å; T203-F242 HydrophobicContact CG2-CZ 4.2Å; P238-F242 WeakPolarHBondContact O-CB 3.49Å; P238-F242 PolarHBondContact O-N 2.81Å; F242-M244 VanDerWaalsContact C-N 3.34Å; F242-M244 PolarHBondContact O-N 2.9Å; F242-L245 PolarHBondContact O-N 3.43Å; F242-F246 HydrophobicContact CD1-CB 4.37Å; F242-F246 HydrophobicContact CE1-CB 4.12Å; F242-F246 HydrophobicContact CE1-CG 4.34Å; F242-F246 WeakPolarHBondContact O-CB 3.31Å; F242-F246 PolarHBondContact O-N 3.05Å
243H97.8Very high97.9Very high51 Ų5122.7 Ų22.724%0.23612%0.12CC..Hα-helixtrans-58-45.7-179.1-179.480.5000112.3S239 H240 L241 E247 Y333S239-H243 WeakPolarHBondContact O-CB 3.09Å; S239-H243 PolarHBondContact O-N 3.49Å; H240-H243 PolarHBondContact O-N 3.37Å; L241-H243 VanDerWaalsContact C-N 3.35Å; L241-H243 PolarHBondContact O-N 3.24Å; H243-E247 WeakPolarHBondContact O-CG 3.28Å; H243-E247 PolarHBondContact O-N 2.86Å; H243-E247 VanDerWaalsContact O-N 3.12Å; H243-Y333 HydrophobicContact CB-CE2 4.45Å; H243-Y333 AromaticContact CD2-CD2 3.35Å; H243-Y333 WeakPolarHBondContact CD2-CD2 3.23Å; H243-Y333 AromaticContact CD2-CE2 3.28Å; H243-Y333 WeakPolarHBondContact CD2-CE2 3.47Å; H243-Y333 AromaticContact CG-CE2 3.84Å; H243-Y333 AromaticContact NE2-CD2 3.99Å; H243-Y333 AromaticContact NE2-CE2 3.66Å
244M98.8Very high97.8Very high0 Ų020.3 Ų20.30%011%0.107CC..Hα-helixtrans-62.4-47.7178.3-65-175.9-70.300111.7Y236 H240 L241 F242 L248 S330 A334 I355 L357Y236-M244 HydrophobicContact CE1-CE 4.49Å; H240-M244 WeakPolarHBondContact O-CG 3.32Å; H240-M244 PolarHBondContact O-N 3.43Å; L241-M244 HydrophobicContact CD1-CE 4.07Å; L241-M244 PolarHBondContact O-N 3.4Å; F242-M244 VanDerWaalsContact C-N 3.34Å; F242-M244 PolarHBondContact O-N 2.9Å; M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.31Å; M244-L248 PolarHBondContact O-N 3.35Å; M244-L248 VanDerWaalsContact O-N 3.1Å; M244-S330 WeakPolarHBondContact CG-O 3.41Å; M244-S330 VanDerWaalsContact SD-O 3.35Å; M244-A334 HydrophobicContact SD-CB 3.61Å; M244-A334 PolarHBondContact SD-N 3.23Å; M244-I355 HydrophobicContact CB-CD1 3.66Å; M244-I355 HydrophobicContact CE-CG2 4.01Å; M244-I355 HydrophobicContact SD-CD1 4.43Å; M244-I355 HydrophobicContact SD-CG2 4.14Å; M244-L357 HydrophobicContact CE-CD2 4.24Å
245L98.8Very high97.8Very high0 Ų021.4 Ų21.40%012%0.117CC..Hα-helixtrans-65.6-42.6-178.9-70.1165.8000111.6V196 V197 A200 L241 F242 E247 L248 F249 I283 I285 I355V196-L245 HydrophobicContact CG1-CD1 4.15Å; V197-L245 HydrophobicContact CB-CD1 4.42Å; V197-L245 HydrophobicContact CG2-CD1 3.66Å; V197-L245 HydrophobicContact CG2-CD2 4.14Å; A200-L245 HydrophobicContact CB-CB 3.59Å; L241-L245 HydrophobicContact CD1-CD1 3.66Å; L241-L245 HydrophobicContact CD1-CG 4.08Å; L241-L245 HydrophobicContact CD2-CD1 4.47Å; L241-L245 HydrophobicContact CG-CD1 3.7Å; L241-L245 WeakPolarHBondContact O-CG 3.26Å; L241-L245 PolarHBondContact O-N 3.31Å; F242-L245 PolarHBondContact O-N 3.43Å; L245-E247 PolarHBondContact O-N 3.49Å; L245-L248 PolarHBondContact O-N 2.97Å; L245-F249 HydrophobicContact CB-CD2 4.26Å; L245-F249 HydrophobicContact CB-CE2 4.16Å; L245-F249 HydrophobicContact CD2-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CB 3.34Å; L245-F249 WeakPolarHBondContact O-CD2 3.27Å; L245-F249 WeakPolarHBondContact O-CG 3.22Å; L245-F249 PolarHBondContact O-N 2.96Å; L245-I283 HydrophobicContact CD2-CG2 3.89Å; L245-I285 HydrophobicContact CD2-CD1 4.12Å; L245-I285 HydrophobicContact CD2-CG1 4.35Å; L245-I355 HydrophobicContact CD2-CD1 3.93Å; L245-I355 HydrophobicContact CG-CD1 4.21Å
246F98.1Very high97.7Very high22 Ų2220 Ų2010%0.09611%0.108CC..Hα-helixtrans-59.3-47.3178.4170.2-105.1000111.6A200 T203 A204 L207 F242 L248 F249 K250A200-F246 HydrophobicContact CB-CB 4.25Å; T203-F246 HydrophobicContact CG2-CD2 4.12Å; T203-F246 HydrophobicContact CG2-CE2 3.79Å; A204-F246 HydrophobicContact CB-CD2 3.99Å; A204-F246 HydrophobicContact CB-CE2 4.19Å; L207-F246 HydrophobicContact CD1-CE2 3.72Å; L207-F246 HydrophobicContact CD1-CZ 3.48Å; L207-F246 VanDerWaalsContact CD1-CZ 3.48Å; F242-F246 HydrophobicContact CD1-CB 4.37Å; F242-F246 HydrophobicContact CE1-CB 4.12Å; F242-F246 HydrophobicContact CE1-CG 4.34Å; F242-F246 WeakPolarHBondContact O-CB 3.31Å; F242-F246 PolarHBondContact O-N 3.05Å; F246-L248 PolarHBondContact O-N 3.09Å; F246-F249 PolarHBondContact O-N 3.37Å; F246-K250 HydrophobicContact CE1-CD 3.81Å; F246-K250 VanDerWaalsContact CE1-CE 3.49Å; F246-K250 HydrophobicContact CE1-CG 4.49Å; F246-K250 HydrophobicContact CE2-CD 4.12Å; F246-K250 HydrophobicContact CE2-CG 4.15Å; F246-K250 HydrophobicContact CZ-CD 3.6Å; F246-K250 HydrophobicContact CZ-CG 4.14Å; F246-K250 WeakPolarHBondContact O-CG 3.37Å; F246-K250 PolarHBondContact O-N 2.83Å
247E97.3Very high97.6Very high24 Ų2420.3 Ų20.311%0.11211%0.11CC..Hα-helixtrans-64.9-39.4177.1-71.1-59.8135.100112.3H243 L245 K250 N251 G326 S330H243-E247 WeakPolarHBondContact O-CG 3.28Å; H243-E247 PolarHBondContact O-N 2.86Å; H243-E247 VanDerWaalsContact O-N 3.12Å; L245-E247 PolarHBondContact O-N 3.49Å; E247-K250 WeakPolarHBondContact OE1-CE 3.37Å; E247-K250 IonicContact OE1-NZ 3.93Å; E247-K250 PolarHBondContact OE1-NZ 2.99Å; E247-K250 VanDerWaalsContact OE2-CE 3.27Å; E247-K250 WeakPolarHBondContact OE2-CE 3.39Å; E247-K250 IonicContact OE2-NZ 2.76Å; E247-K250 PolarHBondContact OE2-NZ 3.26Å; E247-N251 VanDerWaalsContact O-CG 3.3Å; E247-N251 PolarHBondContact O-N 3.39Å; E247-N251 PolarHBondContact O-ND2 3.1Å; E247-G326 VanDerWaalsContact OE2-CA 3.32Å; E247-G326 WeakPolarHBondContact OE2-CA 3.38Å; E247-S330 WeakPolarHBondContact CB-OG 3.37Å
248L98.4Very high97.4Very high3 Ų324.8 Ų24.82%0.01613%0.131CC..Hα-helixtrans-65.7-44.2175.4-68.3-177.8000112M244 L245 F246 N251 S252 I285 L327 L341 A353 I355M244-L248 VanDerWaalsContact O-CG 3.3Å; M244-L248 WeakPolarHBondContact O-CG 3.31Å; M244-L248 PolarHBondContact O-N 3.35Å; M244-L248 VanDerWaalsContact O-N 3.1Å; L245-L248 PolarHBondContact O-N 2.97Å; F246-L248 PolarHBondContact O-N 3.09Å; L248-N251 PolarHBondContact O-N 3.05Å; L248-S252 PolarHBondContact O-N 2.94Å; L248-S252 PolarHBondContact O-OG 2.98Å; L248-I285 HydrophobicContact CD1-CG1 4.32Å; L248-L327 HydrophobicContact CD2-CD2 3.7Å; L248-L341 HydrophobicContact CD1-CD1 4.23Å; L248-L341 HydrophobicContact CD2-CD1 4.29Å; L248-L341 HydrophobicContact CD2-CD2 4.5Å; L248-L341 HydrophobicContact CG-CD1 4.46Å; L248-A353 HydrophobicContact CD1-CB 3.83Å; L248-A353 HydrophobicContact CD2-CB 3.75Å; L248-A353 HydrophobicContact CG-CB 4.32Å; L248-I355 HydrophobicContact CD1-CD1 3.81Å; L248-I355 HydrophobicContact CD1-CG1 3.91Å
249F98.6Very high97.3Very high0 Ų028.1 Ų28.10%015%0.147CC..Hα-helixtrans-63.1-43.8177.9-78.2-54.3000112.1V197 A200 Y201 A204 L218 L245 F246 N251 S252 M253 V270 A272 I285V197-F249 HydrophobicContact CG1-CE2 4.17Å; V197-F249 HydrophobicContact CG1-CZ 3.9Å; V197-F249 WeakPolarHBondContact O-CE2 3.33Å; A200-F249 HydrophobicContact CB-CD2 4.22Å; A200-F249 HydrophobicContact CB-CE2 4.44Å; Y201-F249 AromaticContact CD2-CD1 3.97Å; Y201-F249 HydrophobicContact CD2-CD1 3.97Å; Y201-F249 HydrophobicContact CD2-CE1 4.08Å; Y201-F249 HydrophobicContact CD2-CG 4.36Å; A204-F249 HydrophobicContact CB-CB 3.69Å; L218-F249 HydrophobicContact CD1-CE1 3.72Å; L218-F249 HydrophobicContact CD1-CZ 3.85Å; L245-F249 HydrophobicContact CB-CD2 4.26Å; L245-F249 HydrophobicContact CB-CE2 4.16Å; L245-F249 HydrophobicContact CD2-CE2 4.47Å; L245-F249 WeakPolarHBondContact O-CB 3.34Å; L245-F249 WeakPolarHBondContact O-CD2 3.27Å; L245-F249 WeakPolarHBondContact O-CG 3.22Å; L245-F249 PolarHBondContact O-N 2.96Å; F246-F249 PolarHBondContact O-N 3.37Å; F249-N251 VanDerWaalsContact C-N 3.29Å; F249-N251 PolarHBondContact O-N 3.48Å; F249-S252 PolarHBondContact O-N 3.45Å; F249-M253 VanDerWaalsContact O-CB 3.25Å; F249-M253 WeakPolarHBondContact O-CB 3.41Å; F249-M253 WeakPolarHBondContact O-CG 3.44Å; F249-M253 PolarHBondContact O-N 3.5Å; F249-V270 HydrophobicContact CD1-CG1 4Å; F249-V270 HydrophobicContact CE1-CG1 3.86Å; F249-A272 HydrophobicContact CZ-CB 4.45Å; F249-I285 HydrophobicContact CD1-CG2 4.17Å; F249-I285 HydrophobicContact CE1-CD1 3.93Å; F249-I285 HydrophobicContact CE1-CG2 3.97Å; F249-I285 HydrophobicContact CE2-CD1 4.41Å; F249-I285 HydrophobicContact CZ-CD1 3.68Å
250K96.3Very high97.2Very high11 Ų1126.7 Ų26.75%0.04813%0.132CC..Hα-helixtrans-55-45.8173.2-76.2-168.1-60.1160.20112.1A204 L207 F246 E247 R254 L320A204-K250 HydrophobicContact CB-CG 4.06Å; L207-K250 HydrophobicContact CD1-CD 4.34Å; F246-K250 HydrophobicContact CE1-CD 3.81Å; F246-K250 VanDerWaalsContact CE1-CE 3.49Å; F246-K250 HydrophobicContact CE1-CG 4.49Å; F246-K250 HydrophobicContact CE2-CD 4.12Å; F246-K250 HydrophobicContact CE2-CG 4.15Å; F246-K250 HydrophobicContact CZ-CD 3.6Å; F246-K250 HydrophobicContact CZ-CG 4.14Å; F246-K250 WeakPolarHBondContact O-CG 3.37Å; F246-K250 PolarHBondContact O-N 2.83Å; E247-K250 WeakPolarHBondContact OE1-CE 3.37Å; E247-K250 IonicContact OE1-NZ 3.93Å; E247-K250 PolarHBondContact OE1-NZ 2.99Å; E247-K250 VanDerWaalsContact OE2-CE 3.27Å; E247-K250 WeakPolarHBondContact OE2-CE 3.39Å; E247-K250 IonicContact OE2-NZ 2.76Å; E247-K250 PolarHBondContact OE2-NZ 3.26Å; K250-R254 VanDerWaalsContact O-CB 3.25Å; K250-R254 WeakPolarHBondContact O-CB 3.49Å; K250-R254 PolarHBondContact O-N 3.02Å; K250-L320 HydrophobicContact CB-CD1 4.22Å; K250-L320 HydrophobicContact CD-CD1 4.02Å; K250-L320 HydrophobicContact CG-CD1 3.89Å; K250-L320 PolarHBondContact NZ-O 3.41Å
251N96.1Very high96.7Very high52 Ų5232.8 Ų32.828%0.27816%0.16SC..Hα-helixtrans-65.4-46.9-179.6-70.5-34.6000111.9E247 L248 F249 R254 A255E247-N251 VanDerWaalsContact O-CG 3.3Å; E247-N251 PolarHBondContact O-N 3.39Å; E247-N251 PolarHBondContact O-ND2 3.1Å; L248-N251 PolarHBondContact O-N 3.05Å; F249-N251 VanDerWaalsContact C-N 3.29Å; F249-N251 PolarHBondContact O-N 3.48Å; N251-R254 PolarHBondContact O-N 3.45Å; N251-A255 WeakPolarHBondContact O-CB 3.49Å; N251-A255 PolarHBondContact O-N 3.2Å
252S98Very high96Very high6 Ų639.9 Ų39.94%0.04220%0.199CC..Hα-helixtrans-64.7-40.8178.1-73.60000112.5L248 F249 T256 D287L248-S252 PolarHBondContact O-N 2.94Å; L248-S252 PolarHBondContact O-OG 2.98Å; F249-S252 PolarHBondContact O-N 3.45Å; S252-T256 VanDerWaalsContact O-CB 3.26Å; S252-T256 WeakPolarHBondContact O-CB 3.44Å; S252-T256 PolarHBondContact O-N 3.38Å; S252-T256 PolarHBondContact O-OG1 2.68Å; S252-D287 WeakPolarHBondContact CB-OD2 3.43Å; S252-D287 PolarHBondContact OG-OD2 2.88Å
253M97.6Very high95.5Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-63.2-51.1175.4-74174.917600111.1Y201 A204 K205 C208 P216 F249 A255 T256 V257Y201-M253 HydrophobicContact CD2-CE 3.29Å; Y201-M253 HydrophobicContact CE2-CE 3.14Å; Y201-M253 HydrophobicContact CG-CE 4.15Å; A204-M253 VanDerWaalsContact C-SD 3.54Å; A204-M253 HydrophobicContact CB-CE 4.1Å; A204-M253 HydrophobicContact CB-SD 3.8Å; K205-M253 HydrophobicContact CB-CE 3.85Å; C208-M253 HydrophobicContact CB-CB 4.3Å; C208-M253 HydrophobicContact CB-SD 3.81Å; P216-M253 HydrophobicContact CG-CB 4.35Å; P216-M253 HydrophobicContact CG-CG 3.85Å; F249-M253 VanDerWaalsContact O-CB 3.25Å; F249-M253 WeakPolarHBondContact O-CB 3.41Å; F249-M253 WeakPolarHBondContact O-CG 3.44Å; F249-M253 PolarHBondContact O-N 3.5Å; M253-A255 PolarHBondContact O-N 3.33Å; M253-T256 PolarHBondContact O-N 2.93Å; M253-V257 WeakPolarHBondContact O-CG2 3.41Å; M253-V257 PolarHBondContact O-N 3.31Å
254R95.1Very high94.9Very high45 Ų4546.9 Ų46.917%0.1723%0.234CC..Hα-helixtrans-53.6-53.4176.8171.9169-177.2-146.3-3.6111.7Y212 K250 N251 T256 V257 E258 L320 A321Y212-R254 WeakPolarHBondContact OH-CG 3.44Å; K250-R254 VanDerWaalsContact O-CB 3.25Å; K250-R254 WeakPolarHBondContact O-CB 3.49Å; K250-R254 PolarHBondContact O-N 3.02Å; N251-R254 PolarHBondContact O-N 3.45Å; R254-T256 VanDerWaalsContact C-N 3.3Å; R254-T256 PolarHBondContact O-N 3.35Å; R254-V257 PolarHBondContact O-N 2.98Å; R254-E258 HydrophobicContact CG-CG 4.31Å; R254-E258 WeakPolarHBondContact CG-OE1 3.32Å; R254-E258 IonicContact CZ-OE1 2.75Å; R254-E258 IonicContact NE-OE1 3.48Å; R254-E258 PolarHBondContact NE-OE1 3.35Å; R254-E258 IonicContact NE-OE2 3.7Å; R254-E258 IonicContact NH2-OE1 3.52Å; R254-E258 PolarHBondContact NH2-OE1 3.01Å; R254-E258 IonicContact NH2-OE2 3.68Å; R254-E258 WeakPolarHBondContact O-CB 3.23Å; R254-E258 VanDerWaalsContact O-CG 3.32Å; R254-E258 WeakPolarHBondContact O-CG 3.5Å; R254-E258 PolarHBondContact O-N 3.2Å; R254-L320 HydrophobicContact CB-CD2 4.15Å; R254-A321 VanDerWaalsContact NH1-CB 3.29Å
255A96.1Very high94.1Very high31 Ų3155.7 Ų55.726%0.25628%0.275SS..Hα-helixtrans-62-38.8-178.500000112.3N251 M253 L259N251-A255 WeakPolarHBondContact O-CB 3.49Å; N251-A255 PolarHBondContact O-N 3.2Å; M253-A255 PolarHBondContact O-N 3.33Å; A255-L259 WeakPolarHBondContact O-CB 3.48Å; A255-L259 PolarHBondContact O-N 3.42Å
256T97.6Very high93.7Very high1 Ų157.7 Ų57.71%0.00630%0.295CS..Hα-helixtrans-68.8-45.4178.3-59.10000111.6P216 S252 M253 R254 H260 P268P216-T256 HydrophobicContact CB-CG2 4.14Å; P216-T256 HydrophobicContact CG-CG2 4.36Å; S252-T256 VanDerWaalsContact O-CB 3.26Å; S252-T256 WeakPolarHBondContact O-CB 3.44Å; S252-T256 PolarHBondContact O-N 3.38Å; S252-T256 PolarHBondContact O-OG1 2.68Å; M253-T256 PolarHBondContact O-N 2.93Å; R254-T256 VanDerWaalsContact C-N 3.3Å; R254-T256 PolarHBondContact O-N 3.35Å; T256-H260 WeakPolarHBondContact O-CB 3.47Å; T256-H260 PolarHBondContact O-CD2 3.45Å; T256-H260 PolarHBondContact O-N 3.18Å; T256-H260 VanDerWaalsContact O-N 3.12Å; T256-P268 HydrophobicContact CG2-CG 3.73Å
257V96.2Very high93.7Very high7 Ų758.9 Ų58.94%0.04230%0.303CS..Hα-helixtrans-68.2-46.4-179.3177.10000111.1Y212 M253 R254 L259 H260 E261 L267Y212-V257 HydrophobicContact CD1-CG1 3.84Å; Y212-V257 HydrophobicContact CD2-CB 4.34Å; Y212-V257 HydrophobicContact CD2-CG1 4.12Å; Y212-V257 HydrophobicContact CG-CB 4.35Å; Y212-V257 HydrophobicContact CG-CG1 3.63Å; M253-V257 WeakPolarHBondContact O-CG2 3.41Å; M253-V257 PolarHBondContact O-N 3.31Å; R254-V257 PolarHBondContact O-N 2.98Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.22Å; V257-H260 PolarHBondContact O-N 2.99Å; V257-E261 PolarHBondContact O-N 3.22Å; V257-L267 HydrophobicContact CG2-CD1 3.91Å; V257-L267 HydrophobicContact CG2-CD2 4.36Å
258E94.2Very high93.7Very high93 Ų9358.8 Ų58.844%0.43530%0.304SS..Hα-helixtrans-60.7-36179.3-72.3178.2176.200112.3Y212 R254Y212-E258 HydrophobicContact CE1-CG 4.15Å; Y212-E258 PolarHBondContact OH-OE1 3.17Å; R254-E258 HydrophobicContact CG-CG 4.31Å; R254-E258 WeakPolarHBondContact CG-OE1 3.32Å; R254-E258 IonicContact CZ-OE1 2.75Å; R254-E258 IonicContact NE-OE1 3.48Å; R254-E258 PolarHBondContact NE-OE1 3.35Å; R254-E258 IonicContact NE-OE2 3.7Å; R254-E258 IonicContact NH2-OE1 3.52Å; R254-E258 PolarHBondContact NH2-OE1 3.01Å; R254-E258 IonicContact NH2-OE2 3.68Å; R254-E258 WeakPolarHBondContact O-CB 3.23Å; R254-E258 VanDerWaalsContact O-CG 3.32Å; R254-E258 WeakPolarHBondContact O-CG 3.5Å; R254-E258 PolarHBondContact O-N 3.2Å
259L95.6Very high93.7Very high96 Ų9660.2 Ų60.250%0.50331%0.313SS..Hα-helixtrans-74.8-36.9178179.663.6000113.1A255 V257 G290A255-L259 WeakPolarHBondContact O-CB 3.48Å; A255-L259 PolarHBondContact O-N 3.42Å; V257-L259 VanDerWaalsContact C-N 3.29Å; V257-L259 PolarHBondContact O-N 3.22Å; L259-G290 VanDerWaalsContact CD2-N 3.29Å
260H95.2Very high93.7Very high42 Ų4260.2 Ų60.219%0.19431%0.313CS..Hα-helixtrans-105.49.9-169.8-66.2-87.7000113.7T256 V257 N262 S263 L267 K288T256-H260 WeakPolarHBondContact O-CB 3.47Å; T256-H260 PolarHBondContact O-CD2 3.45Å; T256-H260 PolarHBondContact O-N 3.18Å; T256-H260 VanDerWaalsContact O-N 3.12Å; V257-H260 PolarHBondContact O-N 2.99Å; H260-N262 PolarHBondContact O-N 3.4Å; H260-N262 VanDerWaalsContact O-N 3.08Å; H260-S263 VanDerWaalsContact O-CB 3.25Å; H260-S263 WeakPolarHBondContact O-CB 3.44Å; H260-S263 PolarHBondContact O-N 2.83Å; H260-L267 HydrophobicContact CB-CD2 3.76Å; H260-K288 PolarHBondContact NE2-O 3.15Å
261E87.4Confident93.8Very high143 Ų14364.6 Ų64.667%0.66833%0.332SS*.THydrogen-bonded Turntrans-50.7-37.3-177.3-171.5178.1-155.300113.2V257V257-E261 PolarHBondContact O-N 3.22Å
262N85Confident93.9Very high150 Ų15062.1 Ų62.180%0.80232%0.319SS*.THydrogen-bonded Turntrans-104.811.1179.9-63.7-59.1000113.8H260H260-N262 PolarHBondContact O-N 3.4Å; H260-N262 VanDerWaalsContact O-N 3.08Å
263S87.4Confident93.9Very high44 Ų4467.4 Ų67.431%0.30834%0.338SS..  trans-77.1134.9-177.5-176.60000111.7H260 E265H260-S263 VanDerWaalsContact O-CB 3.25Å; H260-S263 WeakPolarHBondContact O-CB 3.44Å; H260-S263 PolarHBondContact O-N 2.83Å; S263-E265 VanDerWaalsContact C-N 3.28Å; S263-E265 PolarHBondContact OG-N 2.83Å
264K84.3Confident94Very high214 Ų21467.4 Ų67.493%0.9334%0.338SS*.THydrogen-bonded Turntrans-77.4-14.6172.6-65.5-175.6179.9-179.30113.2G266K264-G266 VanDerWaalsContact C-N 3.32Å
265E83.3Confident94.2Very high186 Ų18667.2 Ų67.287%0.86934%0.342SS*.THydrogen-bonded Turntrans-87-3.1-175-62.2-178178.300113S263S263-E265 VanDerWaalsContact C-N 3.28Å; S263-E265 PolarHBondContact OG-N 2.83Å
266G90.9Very high94.3Very high41 Ų4166.3 Ų66.342%0.42333%0.333SS..  trans77.2-177.3-175.100000113.2K264K264-G266 VanDerWaalsContact C-N 3.32Å
267L96.5Very high94.3Very high48 Ų4867.3 Ų67.325%0.25134%0.343SS..PPolyproline II helixtrans-83.4122.9-178.2-62.3178.4000110.6A214 S215 P216 V257 H260A214-L267 HydrophobicContact CB-CD1 3.89Å; S215-L267 VanDerWaalsContact C-CD1 3.47Å; P216-L267 HydrophobicContact CB-CB 4.22Å; V257-L267 HydrophobicContact CG2-CD1 3.91Å; V257-L267 HydrophobicContact CG2-CD2 4.36Å; H260-L267 HydrophobicContact CB-CD2 3.76Å
268P97.5Very high94.3Very high21 Ų2174 Ų7414%0.13637%0.372CS..PPolyproline II helixtrans-65.3142.5174.626.2-32.6000110.7P216 T256 K288P216-P268 VanDerWaalsContact CB-O 3.23Å; P216-P268 WeakPolarHBondContact CB-O 3.49Å; T256-P268 HydrophobicContact CG2-CG 3.73Å; P268-K288 HydrophobicContact CB-CB 4.06Å; P268-K288 HydrophobicContact CB-CD 3.95Å; P268-K288 HydrophobicContact CB-CG 4.38Å; P268-K288 HydrophobicContact CG-CB 3.75Å; P268-K288 HydrophobicContact CG-CD 4.42Å
269P98Very high94.4Very high34 Ų3475.2 Ų75.222%0.22138%0.377CS..PPolyproline II helixtrans-70.2146.6-177.629-35.6000111.6E217 K219E217-P269 HydrophobicContact CB-CB 4.29Å; E217-P269 CarbonylContact O-C 3.49Å; E217-P269 WeakPolarHBondContact O-CA 3.49Å; E217-P269 VanDerWaalsContact O-CB 3.3Å; E217-P269 WeakPolarHBondContact O-CB 3.3Å; K219-P269 HydrophobicContact CD-CB 4.13Å; K219-P269 HydrophobicContact CD-CG 3.92Å; K219-P269 HydrophobicContact CG-CB 4.19Å
270V98.7Very high94.5Very high0 Ų073.8 Ų73.80%037%0.37CS..EExtended strand (participates in β ladder)trans-79.4129.6166.8-179.30000108.1P216 E217 L218 K219 F249 I285P216-V270 HydrophobicContact CB-CG2 4.14Å; P216-V270 HydrophobicContact CG-CG2 3.74Å; E217-V270 PolarHBondContact O-N 3.3Å; L218-V270 WeakPolarHBondContact CA-O 3.49Å; K219-V270 PolarHBondContact N-O 3.29Å; F249-V270 HydrophobicContact CD1-CG1 4Å; F249-V270 HydrophobicContact CE1-CG1 3.86Å; V270-I285 HydrophobicContact CG1-CG2 3.64Å
271K98.8Very high94.6Very high102 Ų10271.8 Ų71.844%0.44336%0.361SS..EExtended strand (participates in β ladder)trans-105.2127.3-178-60.1179.4-179.8-176.60110.2K219 I285 S286K219-K271 HydrophobicContact CB-CG 4.39Å; K219-K271 CarbonylContact O-C 3.55Å; K219-K271 WeakPolarHBondContact O-CA 3.22Å; K271-I285 CarbonylContact O-C 3.55Å; K271-I285 WeakPolarHBondContact O-CA 3.11Å; K271-S286 PolarHBondContact N-O 3.09Å; K271-S286 PolarHBondContact O-N 3.06Å
272A98.8Very high95.2Very high1 Ų165.9 Ų65.91%0.00834%0.336CS..EExtended strand (participates in β ladder)trans-107.8122171.100000109.4V197 L218 K219 I220 E221 F249 K284 I285V197-A272 HydrophobicContact CG1-CB 3.88Å; L218-A272 HydrophobicContact CD1-CB 4.04Å; K219-A272 PolarHBondContact O-N 2.87Å; I220-A272 CarbonylContact C-O 3.58Å; I220-A272 VanDerWaalsContact CA-O 3.32Å; I220-A272 WeakPolarHBondContact CA-O 3.39Å; I220-A272 HydrophobicContact CG1-CB 4.44Å; E221-A272 PolarHBondContact N-O 3.39Å; F249-A272 HydrophobicContact CZ-CB 4.45Å; A272-K284 CarbonylContact C-O 3.6Å; A272-K284 WeakPolarHBondContact CA-O 3.49Å; A272-I285 HydrophobicContact CB-CD1 3.65Å
273R98.7Very high95.8Very high117 Ų11758.8 Ų58.844%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-113.3117.4172.7-174.5173.8-72.8170.5-3109.9E221 T275 I283 K284E221-R273 HydrophobicContact CB-CG 4.49Å; E221-R273 CarbonylContact O-C 3.55Å; E221-R273 WeakPolarHBondContact O-CA 3.3Å; E221-R273 IonicContact OE2-CZ 3.99Å; E221-R273 VanDerWaalsContact OE2-CZ 3.31Å; E221-R273 IonicContact OE2-NE 3.77Å; E221-R273 PolarHBondContact OE2-NE 2.91Å; E221-R273 IonicContact OE2-NH2 3.31Å; E221-R273 PolarHBondContact OE2-NH2 3.14Å; R273-T275 HydrophobicContact CG-CG2 4.03Å; R273-I283 WeakPolarHBondContact O-CA 3.37Å; R273-K284 HydrophobicContact CB-CB 4.46Å; R273-K284 PolarHBondContact N-O 3.42Å; R273-K284 PolarHBondContact O-N 3.41Å
274V98.6Very high96.4Very high0 Ų059.5 Ų59.50%030%0.295CS..EExtended strand (participates in β ladder)trans-105.6127.1178.9-172.10000108.6V193 V197 E221 E222 F223 I232 L281 I283V193-V274 HydrophobicContact CB-CG1 4.11Å; V193-V274 HydrophobicContact CG1-CG1 3.56Å; V193-V274 HydrophobicContact CG1-CG2 4.23Å; V197-V274 HydrophobicContact CG2-CG2 4.37Å; E221-V274 PolarHBondContact O-N 2.83Å; E222-V274 CarbonylContact C-O 3.51Å; E222-V274 VanDerWaalsContact CA-O 3.32Å; E222-V274 WeakPolarHBondContact CA-O 3.45Å; E222-V274 HydrophobicContact CG-CB 4.27Å; F223-V274 PolarHBondContact N-O 3.36Å; I232-V274 HydrophobicContact CB-CG1 4.25Å; I232-V274 HydrophobicContact CD1-CB 4.12Å; I232-V274 HydrophobicContact CD1-CG1 3.66Å; I232-V274 WeakPolarHBondContact CD1-O 3.37Å; I232-V274 HydrophobicContact CG2-CG1 4.09Å; V274-L281 HydrophobicContact CG1-CD1 4Å; V274-I283 HydrophobicContact CG1-CG1 4.22Å; V274-I283 HydrophobicContact CG2-CG1 4.47Å; V274-I283 HydrophobicContact CG2-CG2 4.3Å
275T98.5Very high97.1Very high40 Ų4049.3 Ų49.325%0.24525%0.251CS..EExtended strand (participates in β ladder)trans-132.6136.7-179.565.80000110.7F223 R273 L281 S282F223-T275 HydrophobicContact CB-CG2 4.13Å; F223-T275 VanDerWaalsContact O-CA 3.3Å; F223-T275 WeakPolarHBondContact O-CA 2.84Å; R273-T275 HydrophobicContact CG-CG2 4.03Å; T275-L281 WeakPolarHBondContact O-CA 3.3Å; T275-S282 PolarHBondContact N-O 2.99Å; T275-S282 PolarHBondContact O-N 3.24Å; T275-S282 WeakPolarHBondContact OG1-CB 3.33Å; T275-S282 PolarHBondContact OG1-O 3.08Å
276L98.5Very high97.8Very high13 Ų1341.4 Ų41.47%0.06822%0.216CC..EExtended strand (participates in β ladder)trans-118.3110175.6-177.964.3000109.4F223 M225 K226 I232 L281 A359F223-L276 PolarHBondContact O-N 2.95Å; M225-L276 WeakPolarHBondContact CB-O 3.23Å; M225-L276 PolarHBondContact N-O 3.09Å; K226-L276 HydrophobicContact CD-CD2 4.29Å; K226-L276 HydrophobicContact CD-CG 4.49Å; I232-L276 HydrophobicContact CD1-CB 4.12Å; I232-L276 HydrophobicContact CG1-CB 4.09Å; I232-L276 HydrophobicContact CG2-CB 3.89Å; I232-L276 HydrophobicContact CG2-CD2 4.25Å; L276-L281 HydrophobicContact CD1-CB 4.15Å; L276-L281 HydrophobicContact CD1-CD1 4.38Å; L276-A359 HydrophobicContact CD1-CB 3.77Å
277G97.4Very high98.2Very high21 Ų2140.3 Ų40.322%0.21620%0.2CC..  trans-93.7-162.2172.800000112.5K226 D280K226-G277 WeakPolarHBondContact CE-O 3.3Å; G277-D280 PolarHBondContact N-O 3.41Å
278K96.3Very high98.3Very high149 Ų14943.6 Ų43.665%0.64821%0.213SC*.SBendtrans-68.1-51175.2-65.5-175.2-177.5178.60111.4M225 K226M225-K278 HydrophobicContact CE-CG 4.25Å; M225-K278 HydrophobicContact SD-CG 4.43Å; K226-K278 PolarHBondContact NZ-O 3.49Å; K226-K278 VanDerWaalsContact NZ-O 3.14Å
279E96.8Very high98.3Very high117 Ų11743.1 Ų43.155%0.54721%0.212SC..SBendtrans-103.2-33.8-173.7-65176.2-154.700112.9A359E279-A359 VanDerWaalsContact O-CB 3.25Å; E279-A359 WeakPolarHBondContact O-CB 3.48Å; E279-A359 PolarHBondContact O-N 2.98Å
280D97.5Very high98.2Very high66 Ų6642.2 Ų42.235%0.35321%0.208SC..EExtended strand (participates in β ladder)trans-113137.5-170.5-58.1-42.1000112.4G277G277-D280 PolarHBondContact N-O 3.41Å
281L98.6Very high98.2Very high0 Ų043.2 Ų43.20%022%0.219CC..EExtended strand (participates in β ladder)trans-97.3118.3153.4170.168000107V193 I232 V234 V274 T275 L276 L357V193-L281 HydrophobicContact CG2-CD1 4.23Å; V193-L281 HydrophobicContact CG2-CD2 3.78Å; I232-L281 HydrophobicContact CG2-CD1 3.52Å; V234-L281 HydrophobicContact CB-CD2 3.89Å; V234-L281 HydrophobicContact CG1-CD2 3.66Å; V234-L281 HydrophobicContact CG2-CD2 4.11Å; V274-L281 HydrophobicContact CG1-CD1 4Å; T275-L281 WeakPolarHBondContact O-CA 3.3Å; L276-L281 HydrophobicContact CD1-CB 4.15Å; L276-L281 HydrophobicContact CD1-CD1 4.38Å; L281-L357 HydrophobicContact CB-CB 4.27Å; L281-L357 HydrophobicContact CD2-CB 4.37Å; L281-L357 HydrophobicContact CD2-CD1 4.07Å; L281-L357 PolarHBondContact N-O 3.5Å; L281-L357 PolarHBondContact O-N 3.36Å
282S98.8Very high98.1Very high20 Ų2040 Ų4014%0.1421%0.208CC..EExtended strand (participates in β ladder)trans-117.2131.7178.9-51.40000110.9T275 I355 Y356T275-S282 PolarHBondContact N-O 2.99Å; T275-S282 PolarHBondContact O-N 3.24Å; T275-S282 WeakPolarHBondContact OG1-CB 3.33Å; T275-S282 PolarHBondContact OG1-O 3.08Å; S282-I355 CarbonylContact C-O 3.44Å; S282-I355 WeakPolarHBondContact CA-O 3.24Å; S282-Y356 VanDerWaalsContact OG-CD1 3.29Å; S282-Y356 WeakPolarHBondContact OG-CD1 3.31Å; S282-Y356 WeakPolarHBondContact OG-CE1 3.43Å
283I98.9Very high98Very high0 Ų041.6 Ų41.60%022%0.218CC..EExtended strand (participates in β ladder)trans-121.3116.6176.2-54161.4000107.9V193 V197 L241 L245 R273 V274 I285 V354 I355V193-I283 HydrophobicContact CG1-CD1 3.6Å; V193-I283 HydrophobicContact CG1-CG1 4Å; V197-I283 HydrophobicContact CG2-CG2 4.41Å; L241-I283 HydrophobicContact CD1-CD1 3.6Å; L245-I283 HydrophobicContact CD2-CG2 3.89Å; R273-I283 WeakPolarHBondContact O-CA 3.37Å; V274-I283 HydrophobicContact CG1-CG1 4.22Å; V274-I283 HydrophobicContact CG2-CG1 4.47Å; V274-I283 HydrophobicContact CG2-CG2 4.3Å; I283-I285 HydrophobicContact CG2-CD1 4.1Å; I283-V354 CarbonylContact O-C 3.54Å; I283-V354 WeakPolarHBondContact O-CA 3.45Å; I283-I355 HydrophobicContact CB-CB 4.42Å; I283-I355 PolarHBondContact N-O 3.4Å; I283-I355 PolarHBondContact O-N 3.49Å
284K98.9Very high97.9Very high60 Ų6043.2 Ų43.226%0.26124%0.235SC..EExtended strand (participates in β ladder)trans-107.8121.4178.1-176.3171.788.31470110.5A272 R273 S286 D352 A353 V354A272-K284 CarbonylContact C-O 3.6Å; A272-K284 WeakPolarHBondContact CA-O 3.49Å; R273-K284 HydrophobicContact CB-CB 4.46Å; R273-K284 PolarHBondContact N-O 3.42Å; R273-K284 PolarHBondContact O-N 3.41Å; K284-S286 WeakPolarHBondContact CE-OG 3.36Å; K284-D352 HydrophobicContact CD-CB 4.26Å; K284-D352 WeakPolarHBondContact CD-OD2 3.21Å; K284-D352 HydrophobicContact CG-CB 4.44Å; K284-D352 IonicContact NZ-OD1 2.69Å; K284-D352 IonicContact NZ-OD2 2.82Å; K284-D352 PolarHBondContact NZ-OD2 3.15Å; K284-A353 CarbonylContact C-O 3.56Å; K284-A353 WeakPolarHBondContact CA-O 3.29Å; K284-V354 HydrophobicContact CB-CG2 4.31Å; K284-V354 HydrophobicContact CD-CG2 4.21Å; K284-V354 HydrophobicContact CG-CG2 3.97Å
285I98.9Very high97.7Very high0 Ų051.4 Ų51.40%027%0.266CS..EExtended strand (participates in β ladder)trans-102.2121.3171-52.2-54.1000108L245 L248 F249 V270 K271 A272 I283 D352 A353L245-I285 HydrophobicContact CD2-CD1 4.12Å; L245-I285 HydrophobicContact CD2-CG1 4.35Å; L248-I285 HydrophobicContact CD1-CG1 4.32Å; F249-I285 HydrophobicContact CD1-CG2 4.17Å; F249-I285 HydrophobicContact CE1-CD1 3.93Å; F249-I285 HydrophobicContact CE1-CG2 3.97Å; F249-I285 HydrophobicContact CE2-CD1 4.41Å; F249-I285 HydrophobicContact CZ-CD1 3.68Å; V270-I285 HydrophobicContact CG1-CG2 3.64Å; K271-I285 CarbonylContact O-C 3.55Å; K271-I285 WeakPolarHBondContact O-CA 3.11Å; A272-I285 HydrophobicContact CB-CD1 3.65Å; I283-I285 HydrophobicContact CG2-CD1 4.1Å; I285-D352 CarbonylContact O-C 3.55Å; I285-D352 WeakPolarHBondContact O-CA 3.48Å; I285-A353 PolarHBondContact N-O 3.35Å; I285-A353 PolarHBondContact O-N 3.17Å
286S98.9Very high97.5Very high19 Ų1953.3 Ų53.313%0.13327%0.271CS..EExtended strand (participates in β ladder)trans-120.2128.2-177.2-64.70000110.2K271 K284 T351 D352K271-S286 PolarHBondContact N-O 3.09Å; K271-S286 PolarHBondContact O-N 3.06Å; K284-S286 WeakPolarHBondContact CE-OG 3.36Å; S286-T351 WeakPolarHBondContact CA-O 3.49Å; S286-D352 WeakPolarHBondContact CB-OD1 3.47Å; S286-D352 PolarHBondContact OG-OD1 3.11Å
287D98.7Very high97.3Very high18 Ų1853.5 Ų53.510%0.09627%0.271CS..  trans-119.9170.4174.866.260.9000113S252 G289 G350 T351S252-D287 WeakPolarHBondContact CB-OD2 3.43Å; S252-D287 PolarHBondContact OG-OD2 2.88Å; D287-G289 PolarHBondContact OD1-N 2.87Å; D287-G350 WeakPolarHBondContact O-CA 3.41Å; D287-T351 PolarHBondContact N-O 2.9Å; D287-T351 PolarHBondContact OD1-N 3.21Å; D287-T351 VanDerWaalsContact OD1-N 3.08Å
288K98.3Very high97Very high117 Ų11758.5 Ų58.551%0.50929%0.293SS..  trans-117.643.5169.2-68.3-169.3176.1-172.80110.7H260 P268 G290 V349H260-K288 PolarHBondContact NE2-O 3.15Å; P268-K288 HydrophobicContact CB-CB 4.06Å; P268-K288 HydrophobicContact CB-CD 3.95Å; P268-K288 HydrophobicContact CB-CG 4.38Å; P268-K288 HydrophobicContact CG-CB 3.75Å; P268-K288 HydrophobicContact CG-CD 4.42Å; K288-G290 VanDerWaalsContact C-N 3.27Å; K288-G290 PolarHBondContact O-N 2.7Å; K288-V349 CarbonylContact C-O 3.59Å; K288-V349 WeakPolarHBondContact CA-O 3.4Å
289G97.6Very high96.8Very high12 Ų1256.9 Ų56.912%0.12428%0.283CS..SBendtrans-86.722.5-178.500000114.5D287 G291D287-G289 PolarHBondContact OD1-N 2.87Å; G289-G291 PolarHBondContact O-N 3.36Å
290G96.8Very high96.7Very high14 Ų1453.1 Ų53.114%0.14427%0.266CS..  trans82.9-11.3173.900000115.6L259 K288 G348 V349L259-G290 VanDerWaalsContact CD2-N 3.29Å; K288-G290 VanDerWaalsContact C-N 3.27Å; K288-G290 PolarHBondContact O-N 2.7Å; G290-G348 CarbonylContact O-C 3.58Å; G290-G348 WeakPolarHBondContact O-CA 3.47Å; G290-G348 PolarHBondContact O-N 3.31Å; G290-V349 PolarHBondContact N-O 3.38Å; G290-V349 PolarHBondContact O-N 2.94Å
291G97.3Very high96.5Very high22 Ų2250.7 Ų50.723%0.22725%0.253CS..  trans74.5-173.9171.600000115G289 S345G289-G291 PolarHBondContact O-N 3.36Å; G291-S345 WeakPolarHBondContact CA-OG 3.33Å
292V97.3Very high96.3Very high33 Ų3353.2 Ų53.220%0.227%0.266CS..  trans-137.8131.7-172.9-179.20000109.1L294 K296 I297 L300 S345V292-L294 PolarHBondContact O-N 3.25Å; V292-K296 HydrophobicContact CG1-CB 3.75Å; V292-I297 HydrophobicContact CB-CD1 3.9Å; V292-I297 HydrophobicContact CG1-CD1 3.99Å; V292-L300 HydrophobicContact CG1-CD1 4.24Å; V292-L300 HydrophobicContact CG2-CD1 4.36Å; V292-S345 PolarHBondContact N-OG 3.37Å
293P97.3Very high95.9Very high35 Ų3552.5 Ų52.523%0.22726%0.261CS..  trans-56.9138.8174.8-13.917.5000111.6R295 K296 E347P293-R295 PolarHBondContact O-N 2.89Å; P293-R295 VanDerWaalsContact O-N 3.08Å; P293-K296 HydrophobicContact CG-CD 4.29Å; P293-K296 PolarHBondContact O-N 3.17Å; P293-E347 WeakPolarHBondContact CB-OE2 3.47Å; P293-E347 HydrophobicContact CG-CG 4.46Å; P293-E347 WeakPolarHBondContact CG-OE1 3.45Å
294L95.9Very high95.1Very high151 Ų15153.4 Ų53.479%0.79127%0.265SS*.Hα-helixtrans-50.5-41.6-176.2-178.460.9000113.1V292 K296 I297V292-L294 PolarHBondContact O-N 3.25Å; L294-K296 PolarHBondContact O-N 2.9Å; L294-I297 HydrophobicContact CD1-CG1 4.39Å; L294-I297 WeakPolarHBondContact O-CB 3.25Å; L294-I297 PolarHBondContact O-N 3.09Å
295R94.6Very high94.4Very high173 Ų17353.4 Ų53.465%0.65326%0.264SS*.Hα-helixtrans-58.6-19179-168.9179.764.578.7-4.6114.2P293P293-R295 PolarHBondContact O-N 2.89Å; P293-R295 VanDerWaalsContact O-N 3.08Å
296K94.6Very high93.3Very high80 Ų8055.8 Ų55.835%0.34828%0.28SS..Hα-helixtrans-98.9-14.1179.9-68.2-175.9179.9176.40113.3V292 P293 L294 D298 R299 L300V292-K296 HydrophobicContact CG1-CB 3.75Å; P293-K296 HydrophobicContact CG-CD 4.29Å; P293-K296 PolarHBondContact O-N 3.17Å; L294-K296 PolarHBondContact O-N 2.9Å; K296-D298 PolarHBondContact O-N 2.99Å; K296-R299 WeakPolarHBondContact O-CB 3.2Å; K296-R299 PolarHBondContact O-N 3.08Å; K296-L300 PolarHBondContact O-N 3.2Å
297I93.8Very high91.6Very high16 Ų1659.8 Ų59.88%0.08230%0.304CS..Hα-helixtrans-57.7-50.5-172.3-66.5-66.8000111.9V292 L294 R299 L300 L343V292-I297 HydrophobicContact CB-CD1 3.9Å; V292-I297 HydrophobicContact CG1-CD1 3.99Å; L294-I297 HydrophobicContact CD1-CG1 4.39Å; L294-I297 WeakPolarHBondContact O-CB 3.25Å; L294-I297 PolarHBondContact O-N 3.09Å; I297-R299 PolarHBondContact O-N 2.85Å; I297-L300 HydrophobicContact CD1-CD1 4.25Å; I297-L300 WeakPolarHBondContact O-CB 3.37Å; I297-L300 PolarHBondContact O-N 3.44Å; I297-L300 VanDerWaalsContact O-N 3.1Å; I297-L343 HydrophobicContact CG2-CB 4.48Å
298D92.1Very high90Very high127 Ų12759.7 Ų59.768%0.67931%0.306SS*.G310 helixtrans-62.9-32.5179.9-65.2-35.1000112.3K296 L300 F301K296-D298 PolarHBondContact O-N 2.99Å; D298-L300 VanDerWaalsContact C-N 3.25Å; D298-L300 PolarHBondContact O-N 3.09Å; D298-F301 PolarHBondContact O-N 3.42Å
299R91.9Very high88.4Confident115 Ų11559.3 Ų59.343%0.43432%0.315SS..G310 helixtrans-69-23179.3-58-178-178.8-162-4.7112.6K296 I297 F301 N302 Y305K296-R299 WeakPolarHBondContact O-CB 3.2Å; K296-R299 PolarHBondContact O-N 3.08Å; I297-R299 PolarHBondContact O-N 2.85Å; R299-F301 PolarHBondContact O-N 3.44Å; R299-N302 WeakPolarHBondContact O-CB 3.44Å; R299-N302 PolarHBondContact O-N 3.22Å; R299-Y305 HydrophobicContact CB-CD1 4.09Å; R299-Y305 HydrophobicContact CB-CD2 4.21Å; R299-Y305 HydrophobicContact CB-CE1 4.24Å; R299-Y305 HydrophobicContact CB-CE2 4.38Å; R299-Y305 HydrophobicContact CB-CG 4.07Å; R299-Y305 VanDerWaalsContact O-CB 3.31Å; R299-Y305 WeakPolarHBondContact O-CB 3.38Å; R299-Y305 WeakPolarHBondContact O-CD1 3.39Å
300L93.4Very high86.8Confident37 Ų3763.1 Ų63.119%0.19434%0.336CS..G310 helixtrans-63.2-21.1175.9-62.6176.1000112.8V292 K296 I297 D298 Y305 L327 L343V292-L300 HydrophobicContact CG1-CD1 4.24Å; V292-L300 HydrophobicContact CG2-CD1 4.36Å; K296-L300 PolarHBondContact O-N 3.2Å; I297-L300 HydrophobicContact CD1-CD1 4.25Å; I297-L300 WeakPolarHBondContact O-CB 3.37Å; I297-L300 PolarHBondContact O-N 3.44Å; I297-L300 VanDerWaalsContact O-N 3.1Å; D298-L300 VanDerWaalsContact C-N 3.25Å; D298-L300 PolarHBondContact O-N 3.09Å; L300-Y305 HydrophobicContact CD2-CE1 4.02Å; L300-L327 HydrophobicContact CB-CD1 3.9Å; L300-L343 HydrophobicContact CD1-CD1 3.92Å
301F94.9Very high85.1Confident16 Ų1663.5 Ų63.57%0.0734%0.336CS..G310 helixtrans-92.3-0.1174.7-65.4-73.3000113.2Q148 D298 R299 L327 P328 R331 L341 L343Q148-F301 PolarHBondContact NE2-O 3.37Å; Q148-F301 VanDerWaalsContact NE2-O 3.14Å; D298-F301 PolarHBondContact O-N 3.42Å; R299-F301 PolarHBondContact O-N 3.44Å; F301-L327 HydrophobicContact CD1-CB 4.33Å; F301-L327 HydrophobicContact CE1-CB 4.35Å; F301-P328 WeakPolarHBondContact O-CB 3.39Å; F301-R331 HydrophobicContact CD1-CB 4.27Å; F301-R331 HydrophobicContact CE1-CB 4.05Å; F301-R331 HydrophobicContact CE1-CG 4.37Å; F301-L341 HydrophobicContact CE1-CD2 4.04Å; F301-L341 HydrophobicContact CZ-CD2 3.99Å; F301-L343 HydrophobicContact CE2-CD1 4.01Å; F301-L343 HydrophobicContact CE2-CG 4.4Å; F301-L343 HydrophobicContact CZ-CD1 3.78Å; F301-L343 HydrophobicContact CZ-CG 4Å
302N92.8Very high83.1Confident52 Ų5266.2 Ų66.228%0.27835%0.352SS..  trans-83.8125.8179.5-69-5.3000110.8Q148 R299 M304 Y305Q148-N302 VanDerWaalsContact OE1-CA 3.27Å; R299-N302 WeakPolarHBondContact O-CB 3.44Å; R299-N302 PolarHBondContact O-N 3.22Å; N302-M304 PolarHBondContact O-N 2.91Å; N302-M304 VanDerWaalsContact O-N 3.13Å; N302-Y305 WeakPolarHBondContact O-CB 3.4Å; N302-Y305 PolarHBondContact O-N 3.43Å
303Y90.4Very high81.1Confident6 Ų669.4 Ų69.42%0.02437%0.367CS..THydrogen-bonded Turntrans-61.1-26.2179.8-68.6-72.7000114.1Q148 L151 D152 Y155 Y305 Y325 P328 I329 L332Q148-Y303 VanDerWaalsContact CD-CD2 3.48Å; L151-Y303 HydrophobicContact CB-CD2 3.41Å; L151-Y303 VanDerWaalsContact CB-CD2 3.41Å; L151-Y303 HydrophobicContact CB-CE2 3.29Å; L151-Y303 HydrophobicContact CB-CG 4.17Å; L151-Y303 HydrophobicContact CD1-CD1 4.37Å; L151-Y303 HydrophobicContact CD1-CD2 3.42Å; L151-Y303 VanDerWaalsContact CD1-CD2 3.42Å; L151-Y303 HydrophobicContact CD1-CE2 4.2Å; L151-Y303 HydrophobicContact CD1-CG 3.53Å; L151-Y303 HydrophobicContact CG-CD2 4.07Å; L151-Y303 HydrophobicContact CG-CE2 4.4Å; D152-Y303 VanDerWaalsContact OD1-CE2 3.26Å; D152-Y303 WeakPolarHBondContact OD1-CE2 3.4Å; D152-Y303 PolarHBondContact OD1-OH 3.17Å; Y155-Y303 AromaticContact CD2-CE1 3.95Å; Y155-Y303 HydrophobicContact CD2-CE1 3.95Å; Y155-Y303 AromaticContact CD2-CZ 3.79Å; Y155-Y303 HydrophobicContact CE2-CD1 4.43Å; Y155-Y303 AromaticContact CE2-CE1 3.91Å; Y155-Y303 HydrophobicContact CE2-CE1 3.91Å; Y303-Y305 VanDerWaalsContact C-N 3.33Å; Y303-Y325 AromaticContact CD1-CD1 3.45Å; Y303-Y325 HydrophobicContact CD1-CD1 3.45Å; Y303-Y325 VanDerWaalsContact CD1-CD1 3.45Å; Y303-Y325 AromaticContact CD1-CD2 3.93Å; Y303-Y325 HydrophobicContact CD1-CD2 3.93Å; Y303-Y325 AromaticContact CD1-CE1 3.35Å; Y303-Y325 HydrophobicContact CD1-CE1 3.35Å; Y303-Y325 AromaticContact CD1-CE2 3.88Å; Y303-Y325 HydrophobicContact CD1-CE2 3.88Å; Y303-Y325 AromaticContact CD1-CG 3.73Å; Y303-Y325 HydrophobicContact CD1-CG 3.73Å; Y303-Y325 AromaticContact CD1-CZ 3.59Å; Y303-Y325 AromaticContact CE1-CD1 3.69Å; Y303-Y325 HydrophobicContact CE1-CD1 3.69Å; Y303-Y325 AromaticContact CE1-CE1 3.85Å; Y303-Y325 HydrophobicContact CE1-CE1 3.85Å; Y303-Y325 HydrophobicContact CE1-CG 4.21Å; Y303-Y325 HydrophobicContact CG-CE1 4.14Å; Y303-Y325 HydrophobicContact CG-CE2 4.36Å; Y303-Y325 WeakPolarHBondContact O-CE2 3.3Å; Y303-P328 HydrophobicContact CD1-CB 4.13Å; Y303-P328 HydrophobicContact CD1-CG 3.68Å; Y303-P328 HydrophobicContact CE1-CB 3.59Å; Y303-P328 HydrophobicContact CE1-CG 3.52Å; Y303-P328 HydrophobicContact CE2-CB 4.23Å; Y303-P328 HydrophobicContact CG-CG 4.39Å; Y303-I329 HydrophobicContact CE1-CD1 3.92Å; Y303-I329 HydrophobicContact CE1-CG1 4.17Å; Y303-L332 WeakPolarHBondContact OH-CD1 3.5Å
304M83.9Confident79Confident18 Ų1874.3 Ų74.39%0.08939%0.387CS..THydrogen-bonded Turntrans-89.31.6178.9-60.9-179.173.500113.4V130 K134 F139 I147 N302V130-M304 HydrophobicContact CG1-CE 4.46Å; V130-M304 HydrophobicContact CG1-CG 3.71Å; V130-M304 HydrophobicContact CG1-SD 4.24Å; K134-M304 HydrophobicContact CB-CE 3.85Å; K134-M304 HydrophobicContact CD-CE 3.97Å; K134-M304 HydrophobicContact CG-CE 3.83Å; K134-M304 PolarHBondContact NZ-O 3.32Å; F139-M304 HydrophobicContact CD2-CE 4.07Å; F139-M304 HydrophobicContact CD2-SD 4.5Å; I147-M304 HydrophobicContact CD1-SD 4.23Å; I147-M304 HydrophobicContact CG2-SD 4.48Å; N302-M304 PolarHBondContact O-N 2.91Å; N302-M304 VanDerWaalsContact O-N 3.13Å
305Y83.2Confident76.7Confident61 Ų6173.6 Ų73.624%0.23939%0.392CS..  trans-109.7120.5-179.3-174.7-98.5000110.8R299 L300 N302 Y303 T307R299-Y305 HydrophobicContact CB-CD1 4.09Å; R299-Y305 HydrophobicContact CB-CD2 4.21Å; R299-Y305 HydrophobicContact CB-CE1 4.24Å; R299-Y305 HydrophobicContact CB-CE2 4.38Å; R299-Y305 HydrophobicContact CB-CG 4.07Å; R299-Y305 VanDerWaalsContact O-CB 3.31Å; R299-Y305 WeakPolarHBondContact O-CB 3.38Å; R299-Y305 WeakPolarHBondContact O-CD1 3.39Å; L300-Y305 HydrophobicContact CD2-CE1 4.02Å; N302-Y305 WeakPolarHBondContact O-CB 3.4Å; N302-Y305 PolarHBondContact O-N 3.43Å; Y303-Y305 VanDerWaalsContact C-N 3.33Å; Y305-T307 HydrophobicContact CE1-CG2 4.21Å
306S75.7Confident74.5Confident50 Ų5069.4 Ų69.435%0.3540%0.402SS..  trans-144.8145.7173.2-177.10000109A308 G322S306-A308 PolarHBondContact OG-N 3.35Å; S306-A308 PolarHBondContact OG-O 3.14Å; S306-G322 PolarHBondContact OG-O 3.42Å; S306-G322 VanDerWaalsContact OG-O 3.04Å
307T62.8Low72.3Confident102 Ų10268.7 Ų68.763%0.62641%0.411SS*.SBendtrans-101.8-5.717556.40000112.6Y305Y305-T307 HydrophobicContact CE1-CG2 4.21Å
308A66.2Low70.4Confident16 Ų1672.5 Ų72.513%0.13244%0.435CS..SBendtrans-97.1151.5174.700000110.9S306 A321S306-A308 PolarHBondContact OG-N 3.35Å; S306-A308 PolarHBondContact OG-O 3.14Å; A308-A321 HydrophobicContact CB-CB 3.72Å
309P63.2Low68.9Low110 Ų11068.5 Ų68.571%0.71442%0.416SS*.PPolyproline II helixtrans-57.6148.316924.9-32.5000110.8G322P309-G322 WeakPolarHBondContact O-CA 3.32Å
310T63.8Low67.2Low91 Ų9163.9 Ų63.956%0.55840%0.399SS*.PPolyproline II helixtrans-61.5122.7176.4-48.20000108.9I131I131-T310 HydrophobicContact CD1-CG2 4.4Å
311P61.4Low65.5Low23 Ų2363.4 Ų63.415%0.14940%0.401CS..PPolyproline II helixtrans-75.7152.8-17630.2-31.3000110.8P319 F323P311-P319 HydrophobicContact CB-CB 3.78Å; P311-P319 HydrophobicContact CB-CG 3.6Å; P311-P319 HydrophobicContact CG-CB 4.45Å; P311-P319 HydrophobicContact CG-CG 3.84Å; P311-F323 HydrophobicContact CB-CE2 4.48Å; P311-F323 HydrophobicContact CG-CD1 4.26Å; P311-F323 HydrophobicContact CG-CD2 3.68Å; P311-F323 HydrophobicContact CG-CE1 4.01Å; P311-F323 HydrophobicContact CG-CE2 3.4Å; P311-F323 HydrophobicContact CG-CG 4.1Å; P311-F323 HydrophobicContact CG-CZ 3.57Å
312S56.4Low63.9Low78 Ų7863.1 Ų63.155%0.54540%0.402SS..PPolyproline II helixtrans-63.3136.8168.9174.90000110E314S312-E314 PolarHBondContact O-N 3.4Å; S312-E314 WeakPolarHBondContact OG-CG 3.39Å
313L55.7Low62.6Low100 Ų10063.4 Ų63.452%0.52440%0.401SS..  trans-80.924.4178.4-77.9164.5000113.2Q128 F323Q128-L313 HydrophobicContact CG-CD1 4.48Å; L313-F323 HydrophobicContact CD2-CE1 4Å; L313-F323 HydrophobicContact CD2-CZ 3.6Å; L313-F323 HydrophobicContact CG-CZ 4.34Å
314E53.1Low62.2Low138 Ų13864.1 Ų64.165%0.64541%0.41SS*.  trans-61.5132.3179-83.9176.7-148.500111.8S312 G316 A317S312-E314 PolarHBondContact O-N 3.4Å; S312-E314 WeakPolarHBondContact OG-CG 3.39Å; E314-G316 PolarHBondContact O-N 3.4Å; E314-A317 PolarHBondContact O-N 2.9Å
315P45.9Very low62.4Low137 Ų13764 Ų6489%0.8941%0.409SS*.THydrogen-bonded Turntrans-58.7123.3-180-20.830.6000111.7
316G49.1Very low62.9Low85 Ų8562 Ų6288%0.87641%0.406SS*.THydrogen-bonded Turntrans95.8-5.6172.600000116.1E314E314-G316 PolarHBondContact O-N 3.4Å
317A49.5Very low63.8Low64 Ų6460.7 Ų60.753%0.52940%0.395SS..  trans-88.4108.9170.200000109.9E314 P319E314-A317 PolarHBondContact O-N 2.9Å; A317-P319 WeakPolarHBondContact O-CD 3.46Å
318V54.1Low65.4Low96 Ų9655.9 Ų55.958%0.58237%0.366SS*.  trans-87.8102.8167.5-1770000107.3
319P58.7Low66.9Low43 Ų4355.9 Ų55.928%0.27936%0.363SS..  trans-70.9144.3178.333.7-38000109.3P311 A317 A321 F323P311-P319 HydrophobicContact CB-CB 3.78Å; P311-P319 HydrophobicContact CB-CG 3.6Å; P311-P319 HydrophobicContact CG-CB 4.45Å; P311-P319 HydrophobicContact CG-CG 3.84Å; A317-P319 WeakPolarHBondContact O-CD 3.46Å; P319-A321 WeakPolarHBondContact CB-O 3.39Å; P319-A321 PolarHBondContact O-N 3.02Å; P319-F323 HydrophobicContact CG-CE2 4.4Å
320L56.5Low68.5Low18 Ų1850.6 Ų50.69%0.09433%0.329CS..SBendtrans-59.8-36.4179.5-167.975.3000111.4L207 Y212 K250 R254L207-L320 HydrophobicContact CB-CD1 3.96Å; Y212-L320 HydrophobicContact CD2-CD2 4.14Å; Y212-L320 HydrophobicContact CE2-CD2 3.33Å; K250-L320 HydrophobicContact CB-CD1 4.22Å; K250-L320 HydrophobicContact CD-CD1 4.02Å; K250-L320 HydrophobicContact CG-CD1 3.89Å; K250-L320 PolarHBondContact NZ-O 3.41Å; R254-L320 HydrophobicContact CB-CD2 4.15Å
321A58.9Low70.2Confident28 Ų2848.8 Ų48.823%0.23131%0.312CS..SBendtrans-145.4168.7173.700000110.2R254 A308 P319R254-A321 VanDerWaalsContact NH1-CB 3.29Å; A308-A321 HydrophobicContact CB-CB 3.72Å; P319-A321 WeakPolarHBondContact CB-O 3.39Å; P319-A321 PolarHBondContact O-N 3.02Å
322G61.3Low72Confident9 Ų948 Ų489%0.09331%0.306CS..  trans153.4-52.5167.900000115.2S306 P309 G324S306-G322 PolarHBondContact OG-O 3.42Å; S306-G322 VanDerWaalsContact OG-O 3.04Å; P309-G322 WeakPolarHBondContact O-CA 3.32Å; G322-G324 PolarHBondContact O-N 3.27Å
323F65.8Low74Confident59 Ų5945.7 Ų45.726%0.25929%0.286SS..SBendtrans-72.8-25.1-176.2-70.7-72.1000114I131 P311 L313 P319 Y325I131-F323 HydrophobicContact CD1-CD1 4.33Å; P311-F323 HydrophobicContact CB-CE2 4.48Å; P311-F323 HydrophobicContact CG-CD1 4.26Å; P311-F323 HydrophobicContact CG-CD2 3.68Å; P311-F323 HydrophobicContact CG-CE1 4.01Å; P311-F323 HydrophobicContact CG-CE2 3.4Å; P311-F323 HydrophobicContact CG-CG 4.1Å; P311-F323 HydrophobicContact CG-CZ 3.57Å; L313-F323 HydrophobicContact CD2-CE1 4Å; L313-F323 HydrophobicContact CD2-CZ 3.6Å; L313-F323 HydrophobicContact CG-CZ 4.34Å; P319-F323 HydrophobicContact CG-CE2 4.4Å; F323-Y325 VanDerWaalsContact C-N 3.33Å; F323-Y325 HydrophobicContact CB-CD2 4.28Å; F323-Y325 VanDerWaalsContact O-CD2 3.24Å; F323-Y325 WeakPolarHBondContact O-CD2 3.42Å
324G80.4Confident76.1Confident20 Ų2041 Ų4121%0.20626%0.261CS..SBendtrans79.311.4-175.400000114.5G322G322-G324 PolarHBondContact O-N 3.27Å
325Y89.5Confident78.2Confident17 Ų1737 Ų377%0.06724%0.24CC..  trans-97.6-16.7-173.9-83.4-123.1000113.9A127 Y155 Y303 F323 L327 P328 I329A127-Y325 WeakPolarHBondContact CA-OH 3.42Å; A127-Y325 HydrophobicContact CB-CD1 4.28Å; A127-Y325 HydrophobicContact CB-CD2 4.37Å; A127-Y325 HydrophobicContact CB-CE1 3.75Å; A127-Y325 HydrophobicContact CB-CE2 3.84Å; A127-Y325 VanDerWaalsContact CB-CZ 3.5Å; Y155-Y325 HydrophobicContact CE2-CD1 4.03Å; Y155-Y325 AromaticContact CE2-CE1 3.55Å; Y155-Y325 HydrophobicContact CE2-CE1 3.55Å; Y155-Y325 AromaticContact CZ-CE1 3.71Å; Y155-Y325 VanDerWaalsContact OH-CE1 3.26Å; Y155-Y325 WeakPolarHBondContact OH-CE1 3.17Å; Y303-Y325 AromaticContact CD1-CD1 3.45Å; Y303-Y325 HydrophobicContact CD1-CD1 3.45Å; Y303-Y325 VanDerWaalsContact CD1-CD1 3.45Å; Y303-Y325 AromaticContact CD1-CD2 3.93Å; Y303-Y325 HydrophobicContact CD1-CD2 3.93Å; Y303-Y325 AromaticContact CD1-CE1 3.35Å; Y303-Y325 HydrophobicContact CD1-CE1 3.35Å; Y303-Y325 AromaticContact CD1-CE2 3.88Å; Y303-Y325 HydrophobicContact CD1-CE2 3.88Å; Y303-Y325 AromaticContact CD1-CG 3.73Å; Y303-Y325 HydrophobicContact CD1-CG 3.73Å; Y303-Y325 AromaticContact CD1-CZ 3.59Å; Y303-Y325 AromaticContact CE1-CD1 3.69Å; Y303-Y325 HydrophobicContact CE1-CD1 3.69Å; Y303-Y325 AromaticContact CE1-CE1 3.85Å; Y303-Y325 HydrophobicContact CE1-CE1 3.85Å; Y303-Y325 HydrophobicContact CE1-CG 4.21Å; Y303-Y325 HydrophobicContact CG-CE1 4.14Å; Y303-Y325 HydrophobicContact CG-CE2 4.36Å; Y303-Y325 WeakPolarHBondContact O-CE2 3.3Å; F323-Y325 VanDerWaalsContact C-N 3.33Å; F323-Y325 HydrophobicContact CB-CD2 4.28Å; F323-Y325 VanDerWaalsContact O-CD2 3.24Å; F323-Y325 WeakPolarHBondContact O-CD2 3.42Å; Y325-L327 PolarHBondContact O-N 3.28Å; Y325-P328 WeakPolarHBondContact O-CD 3.45Å; Y325-P328 WeakPolarHBondContact O-CG 3.31Å; Y325-I329 HydrophobicContact CD1-CG1 4.37Å; Y325-I329 VanDerWaalsContact O-CB 3.27Å; Y325-I329 WeakPolarHBondContact O-CB 3.33Å; Y325-I329 WeakPolarHBondContact O-CG1 3.35Å; Y325-I329 PolarHBondContact O-N 3.2Å
326G91.9Very high80.7Confident17 Ų1730.5 Ų30.518%0.17520%0.198CC..Hα-helixtrans-56.9-53.9-173.500000113.7E247 S330E247-G326 VanDerWaalsContact OE2-CA 3.32Å; E247-G326 WeakPolarHBondContact OE2-CA 3.38Å; G326-S330 VanDerWaalsContact O-CB 3.25Å; G326-S330 WeakPolarHBondContact O-CB 3.5Å; G326-S330 PolarHBondContact O-N 3.16Å; G326-S330 PolarHBondContact O-OG 2.99Å
327L94.9Very high83.1Confident23 Ų2326.5 Ų26.512%0.1216%0.156CC..Hα-helixtrans-63.1-52.7179.4-76.8175.2000114.1L248 L300 F301 Y325 I329 S330 R331 L343L248-L327 HydrophobicContact CD2-CD2 3.7Å; L300-L327 HydrophobicContact CB-CD1 3.9Å; F301-L327 HydrophobicContact CD1-CB 4.33Å; F301-L327 HydrophobicContact CE1-CB 4.35Å; Y325-L327 PolarHBondContact O-N 3.28Å; L327-I329 PolarHBondContact O-N 3.44Å; L327-S330 PolarHBondContact O-N 2.64Å; L327-R331 PolarHBondContact O-N 3.38Å; L327-L343 HydrophobicContact CD1-CD1 3.98Å; L327-L343 HydrophobicContact CD2-CD1 4.15Å
328P96.9Very high85.5Confident2 Ų227 Ų271%0.01315%0.148CC..Hα-helixtrans-62.4-42.5179.419.8-29.9000112.6F301 Y303 Y325 S330 R331 L332F301-P328 WeakPolarHBondContact O-CB 3.39Å; Y303-P328 HydrophobicContact CD1-CB 4.13Å; Y303-P328 HydrophobicContact CD1-CG 3.68Å; Y303-P328 HydrophobicContact CE1-CB 3.59Å; Y303-P328 HydrophobicContact CE1-CG 3.52Å; Y303-P328 HydrophobicContact CE2-CB 4.23Å; Y303-P328 HydrophobicContact CG-CG 4.39Å; Y325-P328 WeakPolarHBondContact O-CD 3.45Å; Y325-P328 WeakPolarHBondContact O-CG 3.31Å; P328-S330 PolarHBondContact O-N 3.07Å; P328-R331 WeakPolarHBondContact O-CB 3.38Å; P328-R331 PolarHBondContact O-N 2.92Å; P328-L332 WeakPolarHBondContact O-CG 3.43Å; P328-L332 PolarHBondContact O-N 3.12Å
329I96.9Very high87.6Confident15 Ų1523 Ų238%0.07713%0.126CC..Hα-helixtrans-64.5-41.3177.6-62.5-64.3000111.5Y155 Y303 Y325 L327 R331 L332 Y333Y155-I329 HydrophobicContact CD1-CD1 4.23Å; Y155-I329 HydrophobicContact CD2-CD1 3.44Å; Y155-I329 VanDerWaalsContact CD2-CD1 3.44Å; Y155-I329 HydrophobicContact CE2-CD1 4.09Å; Y155-I329 HydrophobicContact CG-CD1 3.53Å; Y303-I329 HydrophobicContact CE1-CD1 3.92Å; Y303-I329 HydrophobicContact CE1-CG1 4.17Å; Y325-I329 HydrophobicContact CD1-CG1 4.37Å; Y325-I329 VanDerWaalsContact O-CB 3.27Å; Y325-I329 WeakPolarHBondContact O-CB 3.33Å; Y325-I329 WeakPolarHBondContact O-CG1 3.35Å; Y325-I329 PolarHBondContact O-N 3.2Å; L327-I329 PolarHBondContact O-N 3.44Å; I329-R331 VanDerWaalsContact C-N 3.26Å; I329-R331 PolarHBondContact O-N 3.29Å; I329-L332 HydrophobicContact CD1-CD1 4.2Å; I329-L332 WeakPolarHBondContact O-CB 3.44Å; I329-L332 PolarHBondContact O-N 3.41Å; I329-Y333 HydrophobicContact CG2-CD2 3.87Å; I329-Y333 HydrophobicContact CG2-CE2 3.63Å; I329-Y333 WeakPolarHBondContact O-CD2 3.49Å; I329-Y333 PolarHBondContact O-N 3.4Å
330S98.4Very high89.5Confident0 Ų022.2 Ų22.20%012%0.12CC..Hα-helixtrans-58.5-40.5174.4-63.90000111.7M244 E247 G326 L327 P328 L332 Y333 A334M244-S330 WeakPolarHBondContact CG-O 3.41Å; M244-S330 VanDerWaalsContact SD-O 3.35Å; E247-S330 WeakPolarHBondContact CB-OG 3.37Å; G326-S330 VanDerWaalsContact O-CB 3.25Å; G326-S330 WeakPolarHBondContact O-CB 3.5Å; G326-S330 PolarHBondContact O-N 3.16Å; G326-S330 PolarHBondContact O-OG 2.99Å; L327-S330 PolarHBondContact O-N 2.64Å; P328-S330 PolarHBondContact O-N 3.07Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-L332 PolarHBondContact O-N 3.1Å; S330-Y333 PolarHBondContact O-N 2.98Å; S330-A334 PolarHBondContact O-N 3.14Å; S330-A334 VanDerWaalsContact O-N 3.1Å
331R98.7Very high91.5Very high52 Ų5221.4 Ų21.420%0.19612%0.115CC..Hα-helixtrans-64.3-36.7174.8-168.6177-155.6178.86.8112.6F301 L327 P328 I329 A334 R335 D340 L341F301-R331 HydrophobicContact CD1-CB 4.27Å; F301-R331 HydrophobicContact CE1-CB 4.05Å; F301-R331 HydrophobicContact CE1-CG 4.37Å; L327-R331 PolarHBondContact O-N 3.38Å; P328-R331 WeakPolarHBondContact O-CB 3.38Å; P328-R331 PolarHBondContact O-N 2.92Å; I329-R331 VanDerWaalsContact C-N 3.26Å; I329-R331 PolarHBondContact O-N 3.29Å; R331-A334 PolarHBondContact O-N 3.13Å; R331-R335 HydrophobicContact CG-CG 4.46Å; R331-R335 VanDerWaalsContact NH2-NH2 3.11Å; R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 VanDerWaalsContact O-CG 3.3Å; R331-R335 WeakPolarHBondContact O-CG 3.47Å; R331-R335 PolarHBondContact O-N 3.07Å; R331-D340 IonicContact CZ-OD1 2.82Å; R331-D340 IonicContact NE-OD1 3.41Å; R331-D340 PolarHBondContact NE-OD1 3.18Å; R331-D340 VanDerWaalsContact NE-OD1 3.14Å; R331-D340 IonicContact NH2-OD1 2.76Å; R331-D340 IonicContact NH2-OD2 3.11Å; R331-L341 HydrophobicContact CB-CB 4.06Å; R331-L341 HydrophobicContact CG-CB 4.02Å; R331-L341 PolarHBondContact NE-O 3.44Å
332L98.8Very high93.4Very high6 Ų623.9 Ų23.93%0.03112%0.121CC..Hα-helixtrans-65-42.1174.3-60.2-175.1000111.9D152 Y155 I159 Y303 P328 I329 S330 A334 R335 Y336D152-L332 HydrophobicContact CB-CD2 4.06Å; D152-L332 WeakPolarHBondContact O-CD1 3.48Å; Y155-L332 VanDerWaalsContact CB-CD1 3.49Å; I159-L332 HydrophobicContact CD1-CB 3.98Å; Y303-L332 WeakPolarHBondContact OH-CD1 3.5Å; P328-L332 WeakPolarHBondContact O-CG 3.43Å; P328-L332 PolarHBondContact O-N 3.12Å; I329-L332 HydrophobicContact CD1-CD1 4.2Å; I329-L332 WeakPolarHBondContact O-CB 3.44Å; I329-L332 PolarHBondContact O-N 3.41Å; S330-L332 VanDerWaalsContact C-N 3.33Å; S330-L332 PolarHBondContact O-N 3.1Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 3.15Å; L332-R335 PolarHBondContact O-N 3.35Å; L332-Y336 VanDerWaalsContact O-CB 3.27Å; L332-Y336 WeakPolarHBondContact O-CB 3.26Å; L332-Y336 PolarHBondContact O-N 3.45Å
333Y98.8Very high95.1Very high31 Ų3124.4 Ų24.412%0.12212%0.121CC..Hα-helixtrans-59.2-41174.1-82.4-70.5000112.5I159 H240 H243 I329 S330I159-Y333 HydrophobicContact CB-CE1 4.45Å; I159-Y333 HydrophobicContact CD1-CD1 3.93Å; I159-Y333 HydrophobicContact CD1-CD2 4.14Å; I159-Y333 HydrophobicContact CD1-CE1 3.95Å; I159-Y333 HydrophobicContact CD1-CE2 4.18Å; I159-Y333 HydrophobicContact CD1-CG 4.03Å; I159-Y333 HydrophobicContact CG1-CD1 4.24Å; I159-Y333 HydrophobicContact CG1-CE1 3.79Å; I159-Y333 HydrophobicContact CG1-CE2 4.45Å; I159-Y333 HydrophobicContact CG2-CD1 4.01Å; I159-Y333 HydrophobicContact CG2-CE1 3.83Å; H240-Y333 HydrophobicContact CB-CD1 3.86Å; H240-Y333 HydrophobicContact CB-CE1 4.39Å; H240-Y333 AromaticContact CD2-CD1 3.83Å; H240-Y333 AromaticContact CD2-CE1 3.54Å; H240-Y333 AromaticContact CG-CD1 3.59Å; H240-Y333 AromaticContact CG-CE1 3.82Å; H240-Y333 AromaticContact ND1-CD1 3.87Å; H240-Y333 AromaticContact NE2-CE1 3.8Å; H243-Y333 HydrophobicContact CB-CE2 4.45Å; H243-Y333 AromaticContact CD2-CD2 3.35Å; H243-Y333 WeakPolarHBondContact CD2-CD2 3.23Å; H243-Y333 AromaticContact CD2-CE2 3.28Å; H243-Y333 WeakPolarHBondContact CD2-CE2 3.47Å; H243-Y333 AromaticContact CG-CE2 3.84Å; H243-Y333 AromaticContact NE2-CD2 3.99Å; H243-Y333 AromaticContact NE2-CE2 3.66Å; I329-Y333 HydrophobicContact CG2-CD2 3.87Å; I329-Y333 HydrophobicContact CG2-CE2 3.63Å; I329-Y333 WeakPolarHBondContact O-CD2 3.49Å; I329-Y333 PolarHBondContact O-N 3.4Å; S330-Y333 PolarHBondContact O-N 2.98Å
334A98.8Very high96.7Very high0 Ų027.1 Ų27.10%013%0.131CC..Hα-helixtrans-64.1-48.3175.400000111.3M244 S330 R331 L332 Y336 G339 L341 I355M244-A334 HydrophobicContact SD-CB 3.61Å; M244-A334 PolarHBondContact SD-N 3.23Å; S330-A334 PolarHBondContact O-N 3.14Å; S330-A334 VanDerWaalsContact O-N 3.1Å; R331-A334 PolarHBondContact O-N 3.13Å; L332-A334 VanDerWaalsContact C-N 3.31Å; L332-A334 PolarHBondContact O-N 3.15Å; A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 PolarHBondContact O-N 2.93Å; A334-G339 CarbonylContact O-C 3.31Å; A334-G339 WeakPolarHBondContact O-CA 3.28Å; A334-G339 PolarHBondContact O-N 3.44Å; A334-L341 HydrophobicContact CB-CB 4.18Å; A334-I355 HydrophobicContact CB-CG2 4.5Å
335R98.8Very high97.5Very high55 Ų5527.4 Ų27.421%0.20813%0.13CC..Hα-helixtrans-69.5-24.6-177.8-72.6176.1173.4-167.8-9.3114.2R331 L332 F337 Q338 G339 D340 R367R331-R335 HydrophobicContact CG-CG 4.46Å; R331-R335 VanDerWaalsContact NH2-NH2 3.11Å; R331-R335 WeakPolarHBondContact O-CB 3.46Å; R331-R335 VanDerWaalsContact O-CG 3.3Å; R331-R335 WeakPolarHBondContact O-CG 3.47Å; R331-R335 PolarHBondContact O-N 3.07Å; L332-R335 PolarHBondContact O-N 3.35Å; R335-F337 PolarHBondContact O-N 3.29Å; R335-Q338 PolarHBondContact O-N 2.86Å; R335-Q338 VanDerWaalsContact O-N 3.12Å; R335-G339 WeakPolarHBondContact CA-O 3.39Å; R335-D340 IonicContact CZ-OD1 3.06Å; R335-D340 IonicContact NE-OD1 3.69Å; R335-D340 PolarHBondContact NE-OD1 3.27Å; R335-D340 IonicContact NH2-OD1 2.71Å; R335-D340 PolarHBondContact NH2-OD1 2.92Å; R335-D340 IonicContact NH2-OD2 3.36Å; R335-R367 WeakPolarHBondContact O-CB 3.4Å
336Y98.9Very high97.9Very high1 Ų133.2 Ų33.20%0.00416%0.159CC..Hα-helixtrans-58.8-35.4-176.5173.6-121.2000112T156 I159 S160 M163 L332 A334 E366 R367 L368T156-Y336 HydrophobicContact CG2-CD2 4.44Å; I159-Y336 HydrophobicContact CG2-CD1 3.67Å; I159-Y336 HydrophobicContact CG2-CD2 4.32Å; I159-Y336 HydrophobicContact CG2-CE1 3.86Å; I159-Y336 HydrophobicContact CG2-CG 3.9Å; S160-Y336 WeakPolarHBondContact CA-OH 3.12Å; S160-Y336 VanDerWaalsContact CB-CE2 3.5Å; M163-Y336 HydrophobicContact CB-CE1 4.33Å; M163-Y336 VanDerWaalsContact CB-OH 3.31Å; M163-Y336 WeakPolarHBondContact CB-OH 3.37Å; M163-Y336 HydrophobicContact CG-CE1 4.32Å; M163-Y336 WeakPolarHBondContact CG-OH 3.28Å; L332-Y336 VanDerWaalsContact O-CB 3.27Å; L332-Y336 WeakPolarHBondContact O-CB 3.26Å; L332-Y336 PolarHBondContact O-N 3.45Å; A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 PolarHBondContact O-N 2.93Å; Y336-E366 HydrophobicContact CE2-CB 3.97Å; Y336-E366 HydrophobicContact CE2-CG 3.67Å; Y336-E366 CarbonylContact O-C 3.57Å; Y336-E366 VanDerWaalsContact O-CA 3.26Å; Y336-E366 WeakPolarHBondContact O-CA 3.48Å; Y336-E366 VanDerWaalsContact OH-CD 3.26Å; Y336-E366 WeakPolarHBondContact OH-CG 3.23Å; Y336-E366 PolarHBondContact OH-OE1 2.83Å; Y336-R367 PolarHBondContact O-N 3.47Å; Y336-L368 HydrophobicContact CE2-CD2 4.1Å
337F98.8Very high98.2Very high0 Ų039 Ų390%018%0.182CC..THydrogen-bonded Turntrans-111.246.3172.9-71.7-55.6000112.9I29 M163 Y236 V237 R335 G339 S364 F365 E366I29-F337 HydrophobicContact CD1-CB 4.32Å; I29-F337 HydrophobicContact CD1-CD1 4.19Å; I29-F337 HydrophobicContact CD1-CD2 3.81Å; I29-F337 HydrophobicContact CD1-CE1 4.46Å; I29-F337 HydrophobicContact CD1-CE2 4.08Å; I29-F337 HydrophobicContact CD1-CG 3.86Å; I29-F337 HydrophobicContact CD1-CZ 4.41Å; I29-F337 HydrophobicContact CG1-CD1 3.79Å; I29-F337 HydrophobicContact CG1-CD2 4.12Å; I29-F337 HydrophobicContact CG1-CE1 3.73Å; I29-F337 HydrophobicContact CG1-CE2 4.05Å; I29-F337 HydrophobicContact CG1-CG 4Å; I29-F337 HydrophobicContact CG1-CZ 3.86Å; M163-F337 HydrophobicContact CE-CZ 4.2Å; Y236-F337 HydrophobicContact CE2-CB 4.2Å; Y236-F337 HydrophobicContact CE2-CD2 4.09Å; V237-F337 HydrophobicContact CG2-CE2 4.25Å; R335-F337 PolarHBondContact O-N 3.29Å; F337-G339 PolarHBondContact O-N 3.3Å; F337-G339 VanDerWaalsContact O-N 3.15Å; F337-S364 WeakPolarHBondContact CD1-O 3.13Å; F337-F365 WeakPolarHBondContact CA-O 3.26Å; F337-E366 HydrophobicContact CE1-CG 3.85Å
338Q98.6Very high98.2Very high74 Ų7441 Ų4135%0.34621%0.208SC..THydrogen-bonded Turntrans62.416.6175.6-48.1-54.8-40.500116.1R335 K358 F365R335-Q338 PolarHBondContact O-N 2.86Å; R335-Q338 VanDerWaalsContact O-N 3.12Å; Q338-K358 HydrophobicContact CB-CG 4.07Å; Q338-F365 HydrophobicContact CG-CB 4.33Å; Q338-F365 WeakPolarHBondContact CG-O 3.33Å; Q338-F365 PolarHBondContact NE2-O 2.81Å
339G98.7Very high98.3Very high12 Ų1245.4 Ų45.412%0.12424%0.235CC..  trans-85.3-165.6169.300000113.4A334 R335 F337 Y356A334-G339 CarbonylContact O-C 3.31Å; A334-G339 WeakPolarHBondContact O-CA 3.28Å; A334-G339 PolarHBondContact O-N 3.44Å; R335-G339 WeakPolarHBondContact CA-O 3.39Å; F337-G339 PolarHBondContact O-N 3.3Å; F337-G339 VanDerWaalsContact O-N 3.15Å; G339-Y356 CarbonylContact C-O 3.47Å; G339-Y356 WeakPolarHBondContact CA-O 3.24Å
340D98.7Very high98.3Very high28 Ų2845 Ų4515%0.1523%0.234CC..EExtended strand (participates in β ladder)trans-157.4162.6168.2-161.415.6000110.7R331 R335 K342 Y356R331-D340 IonicContact CZ-OD1 2.82Å; R331-D340 IonicContact NE-OD1 3.41Å; R331-D340 PolarHBondContact NE-OD1 3.18Å; R331-D340 VanDerWaalsContact NE-OD1 3.14Å; R331-D340 IonicContact NH2-OD1 2.76Å; R331-D340 IonicContact NH2-OD2 3.11Å; R335-D340 IonicContact CZ-OD1 3.06Å; R335-D340 IonicContact NE-OD1 3.69Å; R335-D340 PolarHBondContact NE-OD1 3.27Å; R335-D340 IonicContact NH2-OD1 2.71Å; R335-D340 PolarHBondContact NH2-OD1 2.92Å; R335-D340 IonicContact NH2-OD2 3.36Å; D340-K342 WeakPolarHBondContact OD2-CE 3.22Å; D340-Y356 PolarHBondContact N-O 2.85Å; D340-Y356 PolarHBondContact O-N 3.2Å
341L98.8Very high98.3Very high0 Ų045.9 Ų45.90%024%0.24CC..EExtended strand (participates in β ladder)trans-121.6127.6168.9-169.9164.1000108.4L248 F301 R331 A334 L343 V354 I355L248-L341 HydrophobicContact CD1-CD1 4.23Å; L248-L341 HydrophobicContact CD2-CD1 4.29Å; L248-L341 HydrophobicContact CD2-CD2 4.5Å; L248-L341 HydrophobicContact CG-CD1 4.46Å; F301-L341 HydrophobicContact CE1-CD2 4.04Å; F301-L341 HydrophobicContact CZ-CD2 3.99Å; R331-L341 HydrophobicContact CB-CB 4.06Å; R331-L341 HydrophobicContact CG-CB 4.02Å; R331-L341 PolarHBondContact NE-O 3.44Å; A334-L341 HydrophobicContact CB-CB 4.18Å; L341-L343 HydrophobicContact CD2-CG 4.41Å; L341-V354 WeakPolarHBondContact CA-O 3.31Å; L341-I355 HydrophobicContact CD1-CG1 4.21Å; L341-I355 HydrophobicContact CG-CG1 4.27Å
342K98.4Very high98.3Very high81 Ų8145.8 Ų45.835%0.35224%0.243SC..EExtended strand (participates in β ladder)trans-126.6148.3-179.9-59.4-171.7-178.8-177.20111.1D340 Y344 A353 V354 Y356D340-K342 WeakPolarHBondContact OD2-CE 3.22Å; K342-Y344 HydrophobicContact CB-CE2 3.78Å; K342-Y344 WeakPolarHBondContact CD-OH 3.44Å; K342-A353 WeakPolarHBondContact O-CA 3.46Å; K342-V354 PolarHBondContact N-O 3.43Å; K342-V354 PolarHBondContact O-N 2.9Å; K342-Y356 HydrophobicContact CD-CE2 4.21Å; K342-Y356 HydrophobicContact CG-CE2 4.42Å
343L98.3Very high98.3Very high19 Ų1945.7 Ų45.710%0.09924%0.243CC..EExtended strand (participates in β ladder)trans-119.2134.6175.6-70.7171000109.4I297 L300 F301 L327 L341 T351 D352 A353I297-L343 HydrophobicContact CG2-CB 4.48Å; L300-L343 HydrophobicContact CD1-CD1 3.92Å; F301-L343 HydrophobicContact CE2-CD1 4.01Å; F301-L343 HydrophobicContact CE2-CG 4.4Å; F301-L343 HydrophobicContact CZ-CD1 3.78Å; F301-L343 HydrophobicContact CZ-CG 4Å; L327-L343 HydrophobicContact CD1-CD1 3.98Å; L327-L343 HydrophobicContact CD2-CD1 4.15Å; L341-L343 HydrophobicContact CD2-CG 4.41Å; L343-T351 HydrophobicContact CD2-CG2 4.07Å; L343-D352 WeakPolarHBondContact CA-O 3.23Å; L343-A353 HydrophobicContact CD2-CB 3.42Å; L343-A353 VanDerWaalsContact CD2-CB 3.42Å
344Y98.1Very high98.3Very high116 Ų11644.7 Ų44.746%0.45524%0.24SC..EExtended strand (participates in β ladder)trans-131.1123.9174-52.5-81.1000107.5K342 D352 V354K342-Y344 HydrophobicContact CB-CE2 3.78Å; K342-Y344 WeakPolarHBondContact CD-OH 3.44Å; Y344-D352 PolarHBondContact N-O 3.07Å; Y344-D352 PolarHBondContact O-N 3.15Å; Y344-V354 HydrophobicContact CD2-CG2 4.18Å; Y344-V354 HydrophobicContact CE2-CG2 4.05Å
345S97.6Very high98.4Very high27 Ų2744.7 Ų44.719%0.18924%0.24CC..EExtended strand (participates in β ladder)trans-127.8142.7-174.8-159.30000111.2G291 V292 G350 T351G291-S345 WeakPolarHBondContact CA-OG 3.33Å; V292-S345 PolarHBondContact N-OG 3.37Å; S345-G350 PolarHBondContact OG-O 3.2Å; S345-G350 VanDerWaalsContact OG-O 3.1Å; S345-T351 PolarHBondContact OG-OG1 3.01Å
346M98.1Very high98.4Very high138 Ų13845.3 Ų45.368%0.6824%0.243SC*.EExtended strand (participates in β ladder)trans-111.9100.5173.2-62.7-65.6-7200106.5G348 V349 G350M346-G348 PolarHBondContact O-N 2.89Å; M346-V349 HydrophobicContact CB-CB 4.13Å; M346-V349 HydrophobicContact CB-CG2 4.49Å; M346-V349 PolarHBondContact O-N 3.42Å; M346-G350 PolarHBondContact N-O 3.26Å; M346-G350 PolarHBondContact O-N 3.08Å; M346-G350 VanDerWaalsContact O-N 3.11Å
347E97.9Very high98.4Very high139 Ų13945.4 Ų45.465%0.6524%0.244SC*.THydrogen-bonded Turntrans-56130.7-179.3-175.1177.5-170.600110.8P293P293-E347 WeakPolarHBondContact CB-OE2 3.47Å; P293-E347 HydrophobicContact CG-CG 4.46Å; P293-E347 WeakPolarHBondContact CG-OE1 3.45Å
348G96.3Very high98.3Very high66 Ų6647.8 Ų47.868%0.6825%0.254SS*.THydrogen-bonded Turntrans88.8-8-172.400000114.8G290 M346G290-G348 CarbonylContact O-C 3.58Å; G290-G348 WeakPolarHBondContact O-CA 3.47Å; G290-G348 PolarHBondContact O-N 3.31Å; M346-G348 PolarHBondContact O-N 2.89Å
349V97.3Very high98.3Very high93 Ų9345 Ų4556%0.56424%0.244SC*.THydrogen-bonded Turntrans-122.5-63.6-176.8-175.10000112.2K288 G290 M346K288-V349 CarbonylContact C-O 3.59Å; K288-V349 WeakPolarHBondContact CA-O 3.4Å; G290-V349 PolarHBondContact N-O 3.38Å; G290-V349 PolarHBondContact O-N 2.94Å; M346-V349 HydrophobicContact CB-CB 4.13Å; M346-V349 HydrophobicContact CB-CG2 4.49Å; M346-V349 PolarHBondContact O-N 3.42Å
350G98.2Very high98.2Very high7 Ų747.7 Ų47.77%0.07226%0.255CS..EExtended strand (participates in β ladder)trans168.9-175.8-170.800000113.8D287 S345 M346D287-G350 WeakPolarHBondContact O-CA 3.41Å; S345-G350 PolarHBondContact OG-O 3.2Å; S345-G350 VanDerWaalsContact OG-O 3.1Å; M346-G350 PolarHBondContact N-O 3.26Å; M346-G350 PolarHBondContact O-N 3.08Å; M346-G350 VanDerWaalsContact O-N 3.11Å
351T98.8Very high98.2Very high18 Ų1847.6 Ų47.611%0.1126%0.257CS..EExtended strand (participates in β ladder)trans-129.3140.4-176.4-52.60000112.1S286 D287 L343 S345S286-T351 WeakPolarHBondContact CA-O 3.49Å; D287-T351 PolarHBondContact N-O 2.9Å; D287-T351 PolarHBondContact OD1-N 3.21Å; D287-T351 VanDerWaalsContact OD1-N 3.08Å; L343-T351 HydrophobicContact CD2-CG2 4.07Å; S345-T351 PolarHBondContact OG-OG1 3.01Å
352D98.8Very high98.1Very high50 Ų5050.2 Ų50.227%0.26728%0.275SS..EExtended strand (participates in β ladder)trans-105.4118.3167.4-82.41.1000109.3K284 I285 S286 L343 Y344K284-D352 HydrophobicContact CD-CB 4.26Å; K284-D352 WeakPolarHBondContact CD-OD2 3.21Å; K284-D352 HydrophobicContact CG-CB 4.44Å; K284-D352 IonicContact NZ-OD1 2.69Å; K284-D352 IonicContact NZ-OD2 2.82Å; K284-D352 PolarHBondContact NZ-OD2 3.15Å; I285-D352 CarbonylContact O-C 3.55Å; I285-D352 WeakPolarHBondContact O-CA 3.48Å; S286-D352 WeakPolarHBondContact CB-OD1 3.47Å; S286-D352 PolarHBondContact OG-OD1 3.11Å; L343-D352 WeakPolarHBondContact CA-O 3.23Å; Y344-D352 PolarHBondContact N-O 3.07Å; Y344-D352 PolarHBondContact O-N 3.15Å
353A98.8Very high98.1Very high4 Ų449.7 Ų49.73%0.03327%0.274CS..EExtended strand (participates in β ladder)trans-105.1125.417000000110.1L248 K284 I285 K342 L343L248-A353 HydrophobicContact CD1-CB 3.83Å; L248-A353 HydrophobicContact CD2-CB 3.75Å; L248-A353 HydrophobicContact CG-CB 4.32Å; K284-A353 CarbonylContact C-O 3.56Å; K284-A353 WeakPolarHBondContact CA-O 3.29Å; I285-A353 PolarHBondContact N-O 3.35Å; I285-A353 PolarHBondContact O-N 3.17Å; K342-A353 WeakPolarHBondContact O-CA 3.46Å; L343-A353 HydrophobicContact CD2-CB 3.42Å; L343-A353 VanDerWaalsContact CD2-CB 3.42Å
354V98.9Very high98.1Very high11 Ų1148.9 Ų48.97%0.06727%0.269CS..EExtended strand (participates in β ladder)trans-120.4120.2-176.1-166.20000110.4I283 K284 L341 K342 Y344 Y356I283-V354 CarbonylContact O-C 3.54Å; I283-V354 WeakPolarHBondContact O-CA 3.45Å; K284-V354 HydrophobicContact CB-CG2 4.31Å; K284-V354 HydrophobicContact CD-CG2 4.21Å; K284-V354 HydrophobicContact CG-CG2 3.97Å; L341-V354 WeakPolarHBondContact CA-O 3.31Å; K342-V354 PolarHBondContact N-O 3.43Å; K342-V354 PolarHBondContact O-N 2.9Å; Y344-V354 HydrophobicContact CD2-CG2 4.18Å; Y344-V354 HydrophobicContact CE2-CG2 4.05Å; V354-Y356 HydrophobicContact CB-CE2 3.86Å; V354-Y356 HydrophobicContact CG1-CD1 4.47Å; V354-Y356 HydrophobicContact CG1-CD2 4.07Å; V354-Y356 HydrophobicContact CG1-CE1 3.95Å; V354-Y356 HydrophobicContact CG1-CE2 3.49Å; V354-Y356 VanDerWaalsContact CG1-CE2 3.49Å; V354-Y356 VanDerWaalsContact CG1-CZ 3.43Å
355I98.9Very high98.1Very high0 Ų047.5 Ų47.50%027%0.266CS..EExtended strand (participates in β ladder)trans-93.7127.5167.7-59.4168.5000107.7M244 L245 L248 S282 I283 A334 L341 L357M244-I355 HydrophobicContact CB-CD1 3.66Å; M244-I355 HydrophobicContact CE-CG2 4.01Å; M244-I355 HydrophobicContact SD-CD1 4.43Å; M244-I355 HydrophobicContact SD-CG2 4.14Å; L245-I355 HydrophobicContact CD2-CD1 3.93Å; L245-I355 HydrophobicContact CG-CD1 4.21Å; L248-I355 HydrophobicContact CD1-CD1 3.81Å; L248-I355 HydrophobicContact CD1-CG1 3.91Å; S282-I355 CarbonylContact C-O 3.44Å; S282-I355 WeakPolarHBondContact CA-O 3.24Å; I283-I355 HydrophobicContact CB-CB 4.42Å; I283-I355 PolarHBondContact N-O 3.4Å; I283-I355 PolarHBondContact O-N 3.49Å; A334-I355 HydrophobicContact CB-CG2 4.5Å; L341-I355 HydrophobicContact CD1-CG1 4.21Å; L341-I355 HydrophobicContact CG-CG1 4.27Å; I355-L357 HydrophobicContact CG2-CD2 3.96Å; I355-L357 HydrophobicContact CG2-CG 3.96Å
356Y98.9Very high98.2Very high68 Ų6846.5 Ų46.527%0.26726%0.258SS..EExtended strand (participates in β ladder)trans-109.9128.8170.3-64.1-82.9000109S282 G339 D340 K342 V354S282-Y356 VanDerWaalsContact OG-CD1 3.29Å; S282-Y356 WeakPolarHBondContact OG-CD1 3.31Å; S282-Y356 WeakPolarHBondContact OG-CE1 3.43Å; G339-Y356 CarbonylContact C-O 3.47Å; G339-Y356 WeakPolarHBondContact CA-O 3.24Å; D340-Y356 PolarHBondContact N-O 2.85Å; D340-Y356 PolarHBondContact O-N 3.2Å; K342-Y356 HydrophobicContact CD-CE2 4.21Å; K342-Y356 HydrophobicContact CG-CE2 4.42Å; V354-Y356 HydrophobicContact CB-CE2 3.86Å; V354-Y356 HydrophobicContact CG1-CD1 4.47Å; V354-Y356 HydrophobicContact CG1-CD2 4.07Å; V354-Y356 HydrophobicContact CG1-CE1 3.95Å; V354-Y356 HydrophobicContact CG1-CE2 3.49Å; V354-Y356 VanDerWaalsContact CG1-CE2 3.49Å; V354-Y356 VanDerWaalsContact CG1-CZ 3.43Å
357L98.8Very high98.2Very high2 Ų246 Ų461%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-126.7152.8173.3-56.6179.8000109.4Y236 L241 M244 L281 I355 A359Y236-L357 HydrophobicContact CD1-CD1 4.24Å; Y236-L357 HydrophobicContact CD2-CD1 4.39Å; Y236-L357 HydrophobicContact CE1-CD1 3.97Å; Y236-L357 HydrophobicContact CE1-CD2 4.38Å; Y236-L357 HydrophobicContact CE2-CD1 4.14Å; Y236-L357 HydrophobicContact CE2-CD2 4.1Å; Y236-L357 HydrophobicContact CG-CD1 4.45Å; Y236-L357 WeakPolarHBondContact OH-CD2 3.46Å; L241-L357 HydrophobicContact CD1-CD1 4.19Å; M244-L357 HydrophobicContact CE-CD2 4.24Å; L281-L357 HydrophobicContact CB-CB 4.27Å; L281-L357 HydrophobicContact CD2-CB 4.37Å; L281-L357 HydrophobicContact CD2-CD1 4.07Å; L281-L357 PolarHBondContact N-O 3.5Å; L281-L357 PolarHBondContact O-N 3.36Å; I355-L357 HydrophobicContact CG2-CD2 3.96Å; I355-L357 HydrophobicContact CG2-CG 3.96Å; L357-A359 PolarHBondContact O-N 2.68Å
358K98.4Very high98.2Very high50 Ų5040.7 Ų40.722%0.21723%0.225CC..EExtended strand (participates in β ladder)trans-68.4129.9171.3-66.9-61.1-176.3179.90110.5Q338 L360 E363 S364Q338-K358 HydrophobicContact CB-CG 4.07Å; K358-L360 VanDerWaalsContact C-N 3.27Å; K358-L360 PolarHBondContact O-N 2.76Å; K358-E363 HydrophobicContact CB-CB 4.45Å; K358-E363 HydrophobicContact CD-CB 4.31Å; K358-E363 HydrophobicContact CG-CB 4.31Å; K358-S364 WeakPolarHBondContact CB-OG 3.32Å
359A97.5Very high98.3Very high17 Ų1737.9 Ų37.914%0.1420%0.195CC..SBendtrans-72.2-22.6176.800000112.6L276 E279 L357L276-A359 HydrophobicContact CD1-CB 3.77Å; E279-A359 VanDerWaalsContact O-CB 3.25Å; E279-A359 WeakPolarHBondContact O-CB 3.48Å; E279-A359 PolarHBondContact O-N 2.98Å; L357-A359 PolarHBondContact O-N 2.68Å
360L97.6Very high98.3Very high67 Ų6735.6 Ų35.635%0.35118%0.181SC..SBendtrans-111.9123-177.5-58.6179.6000110.4K358 S362 E363 S364K358-L360 VanDerWaalsContact C-N 3.27Å; K358-L360 PolarHBondContact O-N 2.76Å; L360-S362 PolarHBondContact O-N 3.35Å; L360-S362 VanDerWaalsContact O-N 3.14Å; L360-E363 HydrophobicContact CB-CG 4.29Å; L360-E363 PolarHBondContact O-N 3.43Å; L360-S364 PolarHBondContact O-N 3.24Å; L360-S364 PolarHBondContact O-OG 2.89Å
361S97.2Very high98.2Very high27 Ų2736.5 Ų36.519%0.18918%0.183CC..THydrogen-bonded Turntrans-61.8-22.7179.2580000114K30 E363 S364K30-S361 PolarHBondContact N-O 3.47Å; K30-S361 VanDerWaalsContact N-O 3.09Å; S361-E363 VanDerWaalsContact C-N 3.25Å; S361-E363 PolarHBondContact O-N 2.95Å; S361-S364 PolarHBondContact O-N 2.91Å
362S97.7Very high98.1Very high54 Ų5439.1 Ų39.138%0.37820%0.196SC..THydrogen-bonded Turntrans-69.9-19.7174.252.10000113.6L360 F365L360-S362 PolarHBondContact O-N 3.35Å; L360-S362 VanDerWaalsContact O-N 3.14Å; S362-F365 WeakPolarHBondContact O-CE2 3.33Å
363E97.7Very high97.8Very high71 Ų7144.7 Ų44.733%0.33222%0.218SC..THydrogen-bonded Turntrans-102.4-10.9178.3-62.6179.2-174.300112.3K358 L360 S361 F365K358-E363 HydrophobicContact CB-CB 4.45Å; K358-E363 HydrophobicContact CD-CB 4.31Å; K358-E363 HydrophobicContact CG-CB 4.31Å; L360-E363 HydrophobicContact CB-CG 4.29Å; L360-E363 PolarHBondContact O-N 3.43Å; S361-E363 VanDerWaalsContact C-N 3.25Å; S361-E363 PolarHBondContact O-N 2.95Å; E363-F365 VanDerWaalsContact C-N 3.29Å; E363-F365 PolarHBondContact O-N 3.35Å
364S98.3Very high97.7Very high1 Ų147.7 Ų47.71%0.00724%0.239CC..  trans-8166.2179.9-54.20000111.8S28 I29 F337 K358 L360 S361S28-S364 CarbonylContact C-O 3.52Å; S28-S364 VanDerWaalsContact CA-O 3.25Å; S28-S364 WeakPolarHBondContact CA-O 3.45Å; I29-S364 PolarHBondContact N-O 3.4Å; F337-S364 WeakPolarHBondContact CD1-O 3.13Å; K358-S364 WeakPolarHBondContact CB-OG 3.32Å; L360-S364 PolarHBondContact O-N 3.24Å; L360-S364 PolarHBondContact O-OG 2.89Å; S361-S364 PolarHBondContact O-N 2.91Å
365F98.6Very high97.4Very high88 Ų8847.2 Ų47.239%0.38624%0.236SC..BIsolated β-bridgetrans-80.4145.4175.4-71-86.5000112.6F337 Q338 S362 E363 R367F337-F365 WeakPolarHBondContact CA-O 3.26Å; Q338-F365 HydrophobicContact CG-CB 4.33Å; Q338-F365 WeakPolarHBondContact CG-O 3.33Å; Q338-F365 PolarHBondContact NE2-O 2.81Å; S362-F365 WeakPolarHBondContact O-CE2 3.33Å; E363-F365 VanDerWaalsContact C-N 3.29Å; E363-F365 PolarHBondContact O-N 3.35Å; F365-R367 PolarHBondContact O-N 3.35Å
366E98.8Very high97.2Very high5 Ų552.8 Ų52.82%0.02326%0.257CS..  trans-55.8130.9167.7-71.3-176.3103.700111.5P26 L27 F32 R56 Y336 F337 L368P26-E366 HydrophobicContact CB-CB 3.97Å; P26-E366 VanDerWaalsContact CB-O 3.27Å; P26-E366 WeakPolarHBondContact CB-O 3.49Å; L27-E366 PolarHBondContact N-OE2 3.12Å; L27-E366 WeakPolarHBondContact O-CG 3Å; L27-E366 PolarHBondContact O-N 2.76Å; F32-E366 HydrophobicContact CE2-CG 4.45Å; R56-E366 IonicContact CZ-OE1 2.68Å; R56-E366 IonicContact CZ-OE2 2.88Å; R56-E366 IonicContact NH1-OE1 2.7Å; R56-E366 PolarHBondContact NH1-OE1 3.12Å; R56-E366 IonicContact NH1-OE2 3.63Å; R56-E366 IonicContact NH2-OE1 3.6Å; R56-E366 PolarHBondContact NH2-OE1 2.95Å; R56-E366 IonicContact NH2-OE2 3.43Å; R56-E366 PolarHBondContact NH2-OE2 3.32Å; Y336-E366 HydrophobicContact CE2-CB 3.97Å; Y336-E366 HydrophobicContact CE2-CG 3.67Å; Y336-E366 CarbonylContact O-C 3.57Å; Y336-E366 VanDerWaalsContact O-CA 3.26Å; Y336-E366 WeakPolarHBondContact O-CA 3.48Å; Y336-E366 VanDerWaalsContact OH-CD 3.26Å; Y336-E366 WeakPolarHBondContact OH-CG 3.23Å; Y336-E366 PolarHBondContact OH-OE1 2.83Å; F337-E366 HydrophobicContact CE1-CG 3.85Å; E366-L368 HydrophobicContact CB-CD1 4.29Å; E366-L368 HydrophobicContact CB-CD2 4.01Å; E366-L368 HydrophobicContact CB-CG 3.93Å
367R98.5Very high96.9Very high127 Ų12756.7 Ų56.748%0.47927%0.272SS..  trans-97.6100.8169.1-175.2177.5175.4175.4-0.2109.3T156 R335 Y336 F365T156-R367 WeakPolarHBondContact CG2-O 3.35Å; R335-R367 WeakPolarHBondContact O-CB 3.4Å; Y336-R367 PolarHBondContact O-N 3.47Å; F365-R367 PolarHBondContact O-N 3.35Å
368L98.4Very high96.6Very high28 Ų2860.9 Ų60.915%0.14729%0.291CS..  trans-106.5144.2-172.3-57.9176.8000112.8P24 P26 Y336 E366P24-L368 HydrophobicContact CB-CB 4.18Å; P24-L368 HydrophobicContact CB-CD1 3.66Å; P26-L368 HydrophobicContact CB-CD1 4.15Å; Y336-L368 HydrophobicContact CE2-CD2 4.1Å; E366-L368 HydrophobicContact CB-CD1 4.29Å; E366-L368 HydrophobicContact CB-CD2 4.01Å; E366-L368 HydrophobicContact CB-CG 3.93Å
369P97.9Very high96.3Very high8 Ų859.2 Ų59.25%0.05228%0.283CS..  trans-72.8131.2169.931.3-34.3000110.7R153 N157R153-P369 HydrophobicContact CB-CB 3.78Å; R153-P369 HydrophobicContact CB-CG 4.41Å; R153-P369 HydrophobicContact CG-CB 4.06Å; R153-P369 WeakPolarHBondContact O-CG 3.48Å; N157-P369 HydrophobicContact CB-CG 3.79Å
370V97.6Very high95.9Very high44 Ų4463.8 Ų63.827%0.26730%0.3SS..  trans-112.4124.3175.8-172.30000109.7R153 N372R153-V370 VanDerWaalsContact NH2-C 3.26Å; R153-V370 PolarHBondContact NH2-O 3.4Å; V370-N372 PolarHBondContact O-N 3.35Å
371F97.2Very high95.1Very high26 Ų2663.4 Ų63.411%0.11430%0.3CS..  trans-80.6115.2172.8179.8-109000109.8N59 R62 E63 L66 A375 W376N59-F371 HydrophobicContact CB-CB 4.14Å; N59-F371 VanDerWaalsContact OD1-CB 3.28Å; N59-F371 WeakPolarHBondContact OD1-CB 3.48Å; N59-F371 PolarHBondContact OD1-N 3.17Å; R62-F371 HydrophobicContact CB-CD1 3.69Å; R62-F371 HydrophobicContact CB-CD2 4.05Å; R62-F371 HydrophobicContact CB-CE1 3.71Å; R62-F371 HydrophobicContact CB-CE2 4.08Å; R62-F371 HydrophobicContact CB-CG 3.86Å; R62-F371 HydrophobicContact CB-CZ 3.91Å; R62-F371 HydrophobicContact CG-CD1 3.92Å; R62-F371 HydrophobicContact CG-CE1 3.89Å; R62-F371 HydrophobicContact CG-CZ 4.5Å; E63-F371 HydrophobicContact CG-CB 4.49Å; E63-F371 HydrophobicContact CG-CD2 3.59Å; E63-F371 HydrophobicContact CG-CE2 4.31Å; E63-F371 HydrophobicContact CG-CG 4.41Å; L66-F371 HydrophobicContact CD1-CE2 3.69Å; L66-F371 HydrophobicContact CD1-CZ 4.29Å; F371-A375 HydrophobicContact CD2-CB 4.43Å; F371-W376 HydrophobicContact CE2-CB 4.41Å
372N95.1Very high94.3Very high73 Ų7366.1 Ų66.139%0.3932%0.319SS..SBendtrans-153-172.817961.927.4000110.2V370 S374 A375 W376V370-N372 PolarHBondContact O-N 3.35Å; N372-S374 VanDerWaalsContact C-N 3.26Å; N372-S374 PolarHBondContact O-N 3.34Å; N372-S374 WeakPolarHBondContact OD1-CA 3.47Å; N372-S374 VanDerWaalsContact OD1-CB 3.32Å; N372-S374 WeakPolarHBondContact OD1-CB 3.19Å; N372-S374 PolarHBondContact OD1-N 3.07Å; N372-A375 PolarHBondContact O-N 3.18Å; N372-A375 PolarHBondContact OD1-N 3.37Å; N372-W376 WeakPolarHBondContact O-CB 3.27Å; N372-W376 PolarHBondContact O-N 3.4Å
373K94.1Very high93.6Very high167 Ų16768.4 Ų68.473%0.72633%0.333SS*.Hα-helixtrans-57.8-36.5177.9-73.7-173.1178.6178.70112.9W376 R377K373-W376 PolarHBondContact O-N 3.28Å; K373-R377 WeakPolarHBondContact O-CG 3.38Å; K373-R377 PolarHBondContact O-N 3.5Å
374S94.9Very high93Very high67 Ų6772.6 Ų72.647%0.46935%0.353SS..Hα-helixtrans-66.6-46.8177.8-55.40000111N372 W376 R377 H378N372-S374 VanDerWaalsContact C-N 3.26Å; N372-S374 PolarHBondContact O-N 3.34Å; N372-S374 WeakPolarHBondContact OD1-CA 3.47Å; N372-S374 VanDerWaalsContact OD1-CB 3.32Å; N372-S374 WeakPolarHBondContact OD1-CB 3.19Å; N372-S374 PolarHBondContact OD1-N 3.07Å; S374-W376 VanDerWaalsContact C-N 3.33Å; S374-W376 PolarHBondContact O-N 2.97Å; S374-R377 PolarHBondContact O-N 3.29Å; S374-H378 PolarHBondContact O-CD2 3.19Å; S374-H378 PolarHBondContact O-N 3.11Å
375A94.3Very high92.4Very high2 Ų277 Ų772%0.01739%0.388CS..Hα-helixtrans-60.8-42.8174.900000111.8Y149 F371 N372 R377 H378 Y379Y149-A375 WeakPolarHBondContact OH-CA 3.39Å; F371-A375 HydrophobicContact CD2-CB 4.43Å; N372-A375 PolarHBondContact O-N 3.18Å; N372-A375 PolarHBondContact OD1-N 3.37Å; A375-R377 VanDerWaalsContact C-N 3.32Å; A375-R377 PolarHBondContact O-N 2.63Å; A375-H378 WeakPolarHBondContact O-CB 3.47Å; A375-H378 PolarHBondContact O-N 3.35Å; A375-Y379 WeakPolarHBondContact O-CD2 3.44Å
376W94.2Very high91.8Very high117 Ų11777.5 Ų77.544%0.44340%0.395SS..Hα-helixtrans-59.9-40.1176.5179.690.7000112.7L66 F371 N372 K373 S374 H378 Y379 K380L66-W376 HydrophobicContact CD1-CG 4.44Å; F371-W376 HydrophobicContact CE2-CB 4.41Å; N372-W376 WeakPolarHBondContact O-CB 3.27Å; N372-W376 PolarHBondContact O-N 3.4Å; K373-W376 PolarHBondContact O-N 3.28Å; S374-W376 VanDerWaalsContact C-N 3.33Å; S374-W376 PolarHBondContact O-N 2.97Å; W376-H378 VanDerWaalsContact C-N 3.32Å; W376-H378 PolarHBondContact O-N 3.46Å; W376-Y379 PolarHBondContact O-N 3Å; W376-Y379 VanDerWaalsContact O-N 3.13Å; W376-K380 HydrophobicContact CD2-CG 3.9Å; W376-K380 HydrophobicContact CE3-CB 4.44Å; W376-K380 HydrophobicContact CE3-CG 4.06Å; W376-K380 HydrophobicContact CH2-CB 4.24Å; W376-K380 HydrophobicContact CH2-CG 3.8Å; W376-K380 HydrophobicContact CZ2-CD 4.17Å; W376-K380 HydrophobicContact CZ2-CG 3.62Å; W376-K380 HydrophobicContact CZ3-CB 4.18Å; W376-K380 HydrophobicContact CZ3-CG 4.01Å; W376-K380 WeakPolarHBondContact O-CG 3.45Å; W376-K380 PolarHBondContact O-N 3.17Å
377R93.3Very high91.6Very high150 Ų15084.1 Ų84.157%0.56643%0.431SS*.Hα-helixtrans-60.6-38.8178.2-76.4174.9-168.5148.8-1.9112.2K373 S374 A375 Y379 K380 T381K373-R377 WeakPolarHBondContact O-CG 3.38Å; K373-R377 PolarHBondContact O-N 3.5Å; S374-R377 PolarHBondContact O-N 3.29Å; A375-R377 VanDerWaalsContact C-N 3.32Å; A375-R377 PolarHBondContact O-N 2.63Å; R377-Y379 PolarHBondContact O-N 2.91Å; R377-Y379 VanDerWaalsContact O-N 3.15Å; R377-K380 CarbonylContact O-C 3.34Å; R377-K380 PolarHBondContact O-N 2.98Å; R377-T381 WeakPolarHBondContact O-CG2 2.86Å; R377-T381 PolarHBondContact O-N 3.05Å
378H92.5Very high91.4Very high89 Ų8988 Ų8841%0.41245%0.446SS..Hα-helixtrans-56.9-29.7176.4-81.4-80.3000113.3N146 Y149 S374 A375 W376 T381N146-H378 PolarHBondContact OD1-O 3.1Å; Y149-H378 HydrophobicContact CD1-CB 3.93Å; Y149-H378 HydrophobicContact CE1-CB 3.65Å; Y149-H378 HydrophobicContact CE2-CB 4.27Å; Y149-H378 AromaticContact CE2-CD2 3.7Å; Y149-H378 AromaticContact CE2-CG 3.75Å; Y149-H378 AromaticContact CE2-ND1 3.98Å; Y149-H378 AromaticContact CE2-NE2 3.92Å; Y149-H378 HydrophobicContact CG-CB 4.37Å; Y149-H378 AromaticContact CZ-CD2 3.6Å; Y149-H378 AromaticContact CZ-CG 3.69Å; S374-H378 PolarHBondContact O-CD2 3.19Å; S374-H378 PolarHBondContact O-N 3.11Å; A375-H378 WeakPolarHBondContact O-CB 3.47Å; A375-H378 PolarHBondContact O-N 3.35Å; W376-H378 VanDerWaalsContact C-N 3.32Å; W376-H378 PolarHBondContact O-N 3.46Å; H378-T381 PolarHBondContact O-OG1 3.3Å; H378-T381 VanDerWaalsContact O-OG1 3.12Å
379Y91.4Very high91.1Very high16 Ų1692.3 Ų92.36%0.06348%0.478CS..THydrogen-bonded Turntrans-87.1-7.4177.4-63-72.8000114.1E63 L66 L67 Y149 F150 A375 W376 R377E63-Y379 HydrophobicContact CB-CE2 4.15Å; E63-Y379 HydrophobicContact CG-CE2 3.98Å; E63-Y379 PolarHBondContact OE2-OH 3.36Å; L66-Y379 HydrophobicContact CB-CD1 4.14Å; L66-Y379 HydrophobicContact CB-CD2 3.97Å; L66-Y379 HydrophobicContact CB-CG 3.71Å; L66-Y379 HydrophobicContact CD1-CD2 3.59Å; L66-Y379 HydrophobicContact CD1-CE2 4.26Å; L66-Y379 HydrophobicContact CD1-CG 4.1Å; L66-Y379 HydrophobicContact CG-CD2 4.45Å; L67-Y379 HydrophobicContact CD2-CE1 4.38Å; Y149-Y379 HydrophobicContact CD1-CE1 4.17Å; Y149-Y379 HydrophobicContact CD1-CE2 4.18Å; Y149-Y379 AromaticContact CD1-CZ 3.73Å; Y149-Y379 AromaticContact CE1-CE2 3.78Å; Y149-Y379 HydrophobicContact CE1-CE2 3.78Å; Y149-Y379 AromaticContact CE1-CZ 3.77Å; F150-Y379 WeakPolarHBondContact CA-OH 3.43Å; F150-Y379 HydrophobicContact CB-CE1 4Å; A375-Y379 WeakPolarHBondContact O-CD2 3.44Å; W376-Y379 PolarHBondContact O-N 3Å; W376-Y379 VanDerWaalsContact O-N 3.13Å; R377-Y379 PolarHBondContact O-N 2.91Å; R377-Y379 VanDerWaalsContact O-N 3.15Å
380K88.1Confident90.9Very high113 Ų11397.3 Ų97.349%0.49150%0.504SS..THydrogen-bonded Turntrans-120.3-5.3-173.4-62.6-61.6-178.1-167.40113.7W376 R377W376-K380 HydrophobicContact CD2-CG 3.9Å; W376-K380 HydrophobicContact CE3-CB 4.44Å; W376-K380 HydrophobicContact CE3-CG 4.06Å; W376-K380 HydrophobicContact CH2-CB 4.24Å; W376-K380 HydrophobicContact CH2-CG 3.8Å; W376-K380 HydrophobicContact CZ2-CD 4.17Å; W376-K380 HydrophobicContact CZ2-CG 3.62Å; W376-K380 HydrophobicContact CZ3-CB 4.18Å; W376-K380 HydrophobicContact CZ3-CG 4.01Å; W376-K380 WeakPolarHBondContact O-CG 3.45Å; W376-K380 PolarHBondContact O-N 3.17Å; R377-K380 CarbonylContact O-C 3.34Å; R377-K380 PolarHBondContact O-N 2.98Å
381T82.6Confident90.6Very high58 Ų58100.6 Ų100.636%0.35653%0.527SS..  trans-54.1151.9169.5390000109.8F142 R377 H378F142-T381 WeakPolarHBondContact CZ-O 3.23Å; R377-T381 WeakPolarHBondContact O-CG2 2.86Å; R377-T381 PolarHBondContact O-N 3.05Å; H378-T381 PolarHBondContact O-OG1 3.3Å; H378-T381 VanDerWaalsContact O-OG1 3.12Å
382S79.2Confident90.3Very high84 Ų84103 Ų10359%0.58755%0.547SS*.  trans-112164.4171.5-66.50000108.3E384S382-E384 PolarHBondContact O-N 3.02Å
383P82.9Confident90.1Very high102 Ų102109.6 Ų109.666%0.66257%0.572SS**PPolyproline II helixtrans-55.3126171.6-23.233.4000110.2F142F142-P383 HydrophobicContact CB-CG 4.38Å; F142-P383 HydrophobicContact CD1-CG 4.48Å; F142-P383 HydrophobicContact CD2-CG 4.01Å; F142-P383 HydrophobicContact CG-CG 4Å
384E84.9Confident90Very high160 Ų160109.7 Ų109.775%0.74858%0.575SS**PPolyproline II helixtrans-101.7156.1175.1-68.7176.3-174.500109.1S382S382-E384 PolarHBondContact O-N 3.02Å
385A85.1Confident89.9Confident92 Ų92111.1 Ų111.176%0.7658%0.583SS**PPolyproline II helixtrans-62.6144.2169.500000108.7D387A385-D387 PolarHBondContact O-N 3.48Å
386D87.7Confident89.6Confident99 Ų99121.4 Ų121.453%0.52962%0.621SS.*PPolyproline II helixtrans-63134.7177.5-161.2-28.5000109.8W388 N390D386-W388 PolarHBondContact O-N 2.97Å; D386-W388 PolarHBondContact OD1-N 3.45Å; D386-W388 VanDerWaalsContact OD1-N 3.08Å; D386-N390 WeakPolarHBondContact CB-ND2 3.4Å; D386-N390 VanDerWaalsContact CG-ND2 3.32Å; D386-N390 PolarHBondContact OD2-ND2 3.08Å
387D92.9Very high89.3Confident145 Ų145119.6 Ų119.678%0.77562%0.621SS**SBendtrans-66.7-15.9177.4-72.4-29.6000112A385A385-D387 PolarHBondContact O-N 3.48Å
388W95.1Very high89Confident208 Ų208116.2 Ų116.279%0.78862%0.624SS**SBendtrans-123.7154-178.6-60.587000112.5D386 N390D386-W388 PolarHBondContact O-N 2.97Å; D386-W388 PolarHBondContact OD1-N 3.45Å; D386-W388 VanDerWaalsContact OD1-N 3.08Å; W388-N390 PolarHBondContact O-N 3.29Å; W388-N390 PolarHBondContact O-ND2 3.11Å
389S92.3Very high88.6Confident118 Ų118116.7 Ų116.783%0.82564%0.638SS**PPolyproline II helixtrans-63.5131179.461.50000111.4
390N93Very high87.7Confident113 Ų113124.1 Ų124.160%0.60467%0.67SS**PPolyproline II helixtrans-103.8129.8169.8-77.3-75000110.1D386 W388D386-N390 WeakPolarHBondContact CB-ND2 3.4Å; D386-N390 VanDerWaalsContact CG-ND2 3.32Å; D386-N390 PolarHBondContact OD2-ND2 3.08Å; W388-N390 PolarHBondContact O-N 3.29Å; W388-N390 PolarHBondContact O-ND2 3.11Å
391P91.8Very high86.3Confident113 Ų113120.5 Ų120.573%0.73466%0.659SS**PPolyproline II helixtrans-68154.9178.529.4-34.6000111.4
392S91.3Very high85.2Confident78 Ų78124.9 Ų124.955%0.54568%0.679SS.*PPolyproline II helixtrans-58.6143.1168.31790000110.3E394 P395S392-E394 PolarHBondContact O-N 3.32Å; S392-E394 VanDerWaalsContact OG-C 3.31Å; S392-E394 PolarHBondContact OG-N 3.21Å; S392-E394 VanDerWaalsContact OG-N 3.1Å; S392-E394 PolarHBondContact OG-O 2.95Å; S392-P395 WeakPolarHBondContact O-CD 3.47Å; S392-P395 WeakPolarHBondContact O-CG 3.45Å
393K91.2Very high84.1Confident211 Ų211130.7 Ų130.792%0.91769%0.69SS**SBendtrans-62.5-25.5170-69.1-175.2-179.4177.50112.2P395K393-P395 WeakPolarHBondContact O-CD 3.49Å
394E92.4Very high82.7Confident169 Ų169134.1 Ų134.179%0.7969%0.694SS**SBendtrans-12281.9174.9-64.3177.1178.800107.7S392S392-E394 PolarHBondContact O-N 3.32Å; S392-E394 VanDerWaalsContact OG-C 3.31Å; S392-E394 PolarHBondContact OG-N 3.21Å; S392-E394 VanDerWaalsContact OG-N 3.1Å; S392-E394 PolarHBondContact OG-O 2.95Å
395P91.3Very high81Confident97 Ų97130.5 Ų130.563%0.6369%0.691SS**  trans-60.1139.2175.2-20.332.3000110S392 K393 D397S392-P395 WeakPolarHBondContact O-CD 3.47Å; S392-P395 WeakPolarHBondContact O-CG 3.45Å; K393-P395 WeakPolarHBondContact O-CD 3.49Å; P395-D397 PolarHBondContact O-N 3Å
396R88.3Confident79.4Confident217 Ų217133.3 Ų133.382%0.81969%0.694SS**  trans-62.8130.8178.3-173.8178.7-179.1179.11.3110.1A398R396-A398 PolarHBondContact O-N 3.2Å; R396-A398 VanDerWaalsContact O-N 3.09Å
397D88.9Confident77.4Confident80 Ų80143.5 Ų143.543%0.42873%0.725SS.*  trans-68.1104.7172.3-178.63.8000110.3P395 S399 K400P395-D397 PolarHBondContact O-N 3Å; D397-S399 PolarHBondContact O-N 3.31Å; D397-S399 VanDerWaalsContact OD1-CB 3.26Å; D397-S399 WeakPolarHBondContact OD1-CB 3.47Å; D397-S399 PolarHBondContact OD1-N 3.14Å; D397-S399 PolarHBondContact OD1-OG 2.71Å; D397-S399 PolarHBondContact OD2-OG 3.27Å; D397-S399 VanDerWaalsContact OD2-OG 3.11Å; D397-K400 WeakPolarHBondContact OD2-CE 3.4Å
398A87.1Confident76.6Confident78 Ų78143.5 Ų143.565%0.64572%0.722SS**THydrogen-bonded Turntrans-71.4-11.9179.900000113.2R396 K400 S401R396-A398 PolarHBondContact O-N 3.2Å; R396-A398 VanDerWaalsContact O-N 3.09Å; A398-K400 VanDerWaalsContact C-N 3.3Å; A398-K400 PolarHBondContact O-N 3.23Å; A398-S401 PolarHBondContact O-OG 3.04Å
399S83.9Confident75.6Confident99 Ų99140.1 Ų140.169%0.69272%0.719SS**THydrogen-bonded Turntrans-73.7-20.8179.573.10000113.5D397D397-S399 PolarHBondContact O-N 3.31Å; D397-S399 VanDerWaalsContact OD1-CB 3.26Å; D397-S399 WeakPolarHBondContact OD1-CB 3.47Å; D397-S399 PolarHBondContact OD1-N 3.14Å; D397-S399 PolarHBondContact OD1-OG 2.71Å; D397-S399 PolarHBondContact OD2-OG 3.27Å; D397-S399 VanDerWaalsContact OD2-OG 3.11Å
400K71.9Confident74.7Confident172 Ų172141.3 Ų141.375%0.74871%0.713SS**SBendtrans-101.4-5-177.9-63.1-177.1-174.2177.10114.1D397 A398 I402D397-K400 WeakPolarHBondContact OD2-CE 3.4Å; A398-K400 VanDerWaalsContact C-N 3.3Å; A398-K400 PolarHBondContact O-N 3.23Å; K400-I402 PolarHBondContact O-N 3.14Å
401S58.9Low73.6Confident37 Ų37142.9 Ų142.926%0.25972%0.719SS.*  trans-84.397.217661.90000110.2A398 Y403A398-S401 PolarHBondContact O-OG 3.04Å; S401-Y403 VanDerWaalsContact C-N 3.29Å; S401-Y403 PolarHBondContact O-N 2.89Å
402I59.3Low72.5Confident151 Ų151144.8 Ų144.877%0.77472%0.718SS**  trans-64.398.1159.9-57173.1000105.9K400 K404K400-I402 PolarHBondContact O-N 3.14Å; I402-K404 HydrophobicContact CG2-CG 4.18Å; I402-K404 PolarHBondContact O-N 3.28Å
403Y55.5Low71.3Confident206 Ų206149.3 Ų149.381%0.80873%0.73SS**  trans-62.291.2161.2-93.1-91.3000106.6S401 A405S401-Y403 VanDerWaalsContact C-N 3.29Å; S401-Y403 PolarHBondContact O-N 2.89Å; Y403-A405 PolarHBondContact O-N 3.04Å
404K53.4Low69.8Low174 Ų174144.9 Ų144.976%0.75772%0.716SS**  trans-67.585.1155.9-80.7-170.1177.2-177.60105.9I402 N406I402-K404 HydrophobicContact CG2-CG 4.18Å; I402-K404 PolarHBondContact O-N 3.28Å; K404-N406 PolarHBondContact O-N 3.25Å
405A50.5Low68.1Low83 Ų83143 Ų14369%0.68671%0.711SS**  trans-6391.4158.300000105.9Y403 R407Y403-A405 PolarHBondContact O-N 3.04Å; A405-R407 PolarHBondContact O-N 3.16Å
406N51.9Low66.2Low152 Ų152146.8 Ų146.881%0.81372%0.717SS**  trans-67.792.1162.4-76.9-8.7000105.9K404K404-N406 PolarHBondContact O-N 3.25Å
407R44.6Very low64.2Low313 Ų313140.5 Ų140.5100%1.18171%0.708SS**  trans-73.10158.6-93.9-172.7175.4-176.6-0.8109.6A405A405-R407 PolarHBondContact O-N 3.16Å

Retrieved 407 of 407 residues in 3594.8 ms (Link to these results)

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