A0A087XHE3_POEFO Loading...

Cell division cycle 14Ab

AlphaFold DB , UniProt , Accession A0A087XHE3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 620 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.8Very low58Low247 Ų247109.7 Ų109.7100%1.21754%0.544SS*.  01300-68.9174173.700107.3
2A33.8Very low60.9Low97 Ų97106.3 Ų106.380%0.80253%0.526SS*.  trans-86.9122.717300000108.5E4A2-E4 PolarHBondContact O-N 3.42Å
3E38.4Very low63.4Low187 Ų18798.7 Ų98.787%0.87449%0.488SS*.  trans-62.9105.2164.2-67.7-179.9139.800107.8R5E3-R5 PolarHBondContact O-N 3.26Å
4E50.4Low65.6Low79 Ų7995.3 Ų95.337%0.36947%0.472SS..  trans-62.589.6164.7-85.5-176.7130.600107.1A2 E6 T30 N32A2-E4 PolarHBondContact O-N 3.42Å; E4-E6 PolarHBondContact O-N 3.09Å; E4-T30 PolarHBondContact OE1-OG1 2.96Å; E4-T30 VanDerWaalsContact OE1-OG1 3.05Å; E4-N32 WeakPolarHBondContact OE2-CB 3.32Å; E4-N32 PolarHBondContact OE2-ND2 3.12Å
5R53.8Low67.5Low191 Ų19199.4 Ų99.472%0.72149%0.486SS*.  trans-44.6136173.9-76.2178.8168.7167.1-1.8109.1E3E3-R5 PolarHBondContact O-N 3.26Å
6E57.3Low69Low118 Ų11898.4 Ų98.455%0.55148%0.483SS*.  trans-46.2140.9170.3-64.5-180147.400110.2E4 R8E4-E6 PolarHBondContact O-N 3.09Å; E6-R8 PolarHBondContact O-N 3.41Å
7P60Low70.6Confident29 Ų2995.1 Ų95.119%0.18846%0.464CS..  trans-57105.1176.219.2-27.5000108.8G9 A10P7-G9 PolarHBondContact O-N 3.15Å; P7-G9 VanDerWaalsContact O-N 3.15Å; P7-A10 HydrophobicContact CB-CB 4.05Å; P7-A10 HydrophobicContact CG-CB 3.7Å; P7-A10 WeakPolarHBondContact O-CB 3.43Å; P7-A10 PolarHBondContact O-N 3.25Å
8R62.2Low72.1Confident208 Ų20889.8 Ų89.879%0.78544%0.439SS*.THydrogen-bonded Turntrans-54.2119.9-169.1-77.3-178.2164.4-165.6-6.5110.8E6E6-R8 PolarHBondContact O-N 3.41Å
9G72.6Confident73.3Confident29 Ų2985.2 Ų85.230%0.29942%0.416SS..THydrogen-bonded Turntrans82.513-177.800000114.8P7 N122P7-G9 PolarHBondContact O-N 3.15Å; P7-G9 VanDerWaalsContact O-N 3.15Å; G9-N122 PolarHBondContact O-ND2 3Å; G9-N122 PolarHBondContact O-OD1 3.44Å
10A85.3Confident74.4Confident22 Ų2281.1 Ų81.118%0.18240%0.396CS..PPolyproline II helixtrans-76.7138.616700000111.1P7 F20 A21P7-A10 HydrophobicContact CB-CB 4.05Å; P7-A10 HydrophobicContact CG-CB 3.7Å; P7-A10 WeakPolarHBondContact O-CB 3.43Å; P7-A10 PolarHBondContact O-N 3.25Å; A10-F20 CarbonylContact C-O 3.53Å; A10-F20 WeakPolarHBondContact CA-O 3.37Å; A10-F20 WeakPolarHBondContact CB-O 3.42Å; A10-A21 HydrophobicContact CB-CB 3.98Å
11A90.4Very high75.4Confident0 Ų077.3 Ų77.30%038%0.378CS..EExtended strand (participates in β ladder)trans-76.4128.3169.600000109.8L13 Y19 F20 A116A11-L13 HydrophobicContact CB-CD2 4.13Å; A11-L13 VanDerWaalsContact O-CD2 3.3Å; A11-L13 WeakPolarHBondContact O-CD2 3.5Å; A11-Y19 CarbonylContact O-C 3.36Å; A11-Y19 WeakPolarHBondContact O-CA 3.26Å; A11-F20 HydrophobicContact CB-CB 4.3Å; A11-F20 PolarHBondContact N-O 3.18Å; A11-F20 PolarHBondContact O-N 3.19Å; A11-A116 WeakPolarHBondContact CB-O 3.24Å
12E92.8Very high78.2Confident69 Ų6966.3 Ų66.332%0.32233%0.325SS..EExtended strand (participates in β ladder)trans-88121.4172.4-171.6173.6-121.900110.4K15 D16 Y19E12-K15 WeakPolarHBondContact OE1-CA 3.26Å; E12-D16 PolarHBondContact OE1-N 3.29Å; E12-Y19 HydrophobicContact CB-CD1 3.85Å; E12-Y19 HydrophobicContact CB-CE1 3.69Å; E12-Y19 HydrophobicContact CG-CD1 3.99Å; E12-Y19 HydrophobicContact CG-CE1 3.5Å; E12-Y19 WeakPolarHBondContact OE1-CE1 3.48Å; E12-Y19 VanDerWaalsContact OE1-CZ 3.25Å; E12-Y19 PolarHBondContact OE1-OH 2.98Å
13L93.3Very high80.9Confident7 Ų763.8 Ų63.84%0.03730%0.297CS..EExtended strand (participates in β ladder)trans-102.6-40.5-179.6-73.3-53.1000111.5A11 L18 F20 I98 A102 L106 K108 A116A11-L13 HydrophobicContact CB-CD2 4.13Å; A11-L13 VanDerWaalsContact O-CD2 3.3Å; A11-L13 WeakPolarHBondContact O-CD2 3.5Å; L13-L18 HydrophobicContact CB-CD2 4.1Å; L13-L18 HydrophobicContact CB-CG 4.14Å; L13-L18 PolarHBondContact N-O 3.23Å; L13-F20 HydrophobicContact CD2-CB 3.83Å; L13-I98 HydrophobicContact CD2-CD1 4.09Å; L13-I98 HydrophobicContact CG-CD1 4.25Å; L13-I98 HydrophobicContact CG-CG1 4.4Å; L13-A102 HydrophobicContact CD1-CB 4.4Å; L13-L106 HydrophobicContact CB-CD1 4.37Å; L13-K108 WeakPolarHBondContact O-CE 3.45Å; L13-K108 PolarHBondContact O-NZ 3.1Å; L13-A116 HydrophobicContact CD1-CB 3.93Å
14I94.8Very high83.2Confident51 Ų5165.4 Ų65.426%0.26230%0.296SS..EExtended strand (participates in β ladder)trans-128.9124.5170.8-51170000107D16 R17 L18 L70 L106I14-D16 PolarHBondContact O-N 3.42Å; I14-R17 HydrophobicContact CB-CB 4.2Å; I14-R17 HydrophobicContact CG2-CB 3.95Å; I14-R17 HydrophobicContact CG2-CG 4.47Å; I14-R17 PolarHBondContact O-N 2.96Å; I14-L18 HydrophobicContact CB-CB 3.83Å; I14-L18 HydrophobicContact CD1-CB 3.79Å; I14-L18 HydrophobicContact CD1-CD2 3.86Å; I14-L18 HydrophobicContact CD1-CG 4.5Å; I14-L18 HydrophobicContact CG1-CB 3.81Å; I14-L18 HydrophobicContact CG1-CD2 4.11Å; I14-L18 PolarHBondContact N-O 3.3Å; I14-L18 PolarHBondContact O-N 3.42Å; I14-L70 HydrophobicContact CD1-CD1 4.48Å; I14-L70 HydrophobicContact CD1-CD2 4.35Å; I14-L106 HydrophobicContact CD1-CD1 4.13Å; I14-L106 HydrophobicContact CD1-CD2 3.69Å; I14-L106 HydrophobicContact CG1-CD1 3.61Å; I14-L106 HydrophobicContact CG1-CD2 3.9Å; I14-L106 HydrophobicContact CG1-CG 4.43Å
15K93.3Very high85Confident157 Ų15766 Ų6668%0.68331%0.308SS*.THydrogen-bonded Turntrans-51.2131.1-176.4-173.5175.8177.5-178.80112.1E12 R17E12-K15 WeakPolarHBondContact OE1-CA 3.26Å; K15-R17 PolarHBondContact O-N 3.33Å
16D92.4Very high86.8Confident83 Ų8365.3 Ų65.344%0.44431%0.311SS..THydrogen-bonded Turntrans56.99.2179.2-76.9-66.9000115.6E12 I14 Y19 R79E12-D16 PolarHBondContact OE1-N 3.29Å; I14-D16 PolarHBondContact O-N 3.42Å; D16-Y19 WeakPolarHBondContact CA-OH 3.44Å; D16-Y19 PolarHBondContact N-OH 3.06Å; D16-R79 IonicContact OD1-CZ 3.88Å; D16-R79 IonicContact OD1-NE 3.1Å; D16-R79 IonicContact OD1-NH2 2.68Å; D16-R79 PolarHBondContact OD1-NH2 3.13Å; D16-R79 VanDerWaalsContact OD1-NH2 3.1Å
17R95.9Very high88.5Confident42 Ų4261.2 Ų61.216%0.15829%0.294CS..THydrogen-bonded Turntrans-134.8-43.2-167.5-174.159.6176.1139.2-4.5115.5I14 K15 L70 L75 K78 I80I14-R17 HydrophobicContact CB-CB 4.2Å; I14-R17 HydrophobicContact CG2-CB 3.95Å; I14-R17 HydrophobicContact CG2-CG 4.47Å; I14-R17 PolarHBondContact O-N 2.96Å; K15-R17 PolarHBondContact O-N 3.33Å; R17-L70 HydrophobicContact CG-CD2 3.95Å; R17-L70 PolarHBondContact NH2-O 2.69Å; R17-L75 PolarHBondContact NH1-O 3.09Å; R17-L75 PolarHBondContact NH2-O 3.1Å; R17-K78 PolarHBondContact NH1-O 2.94Å; R17-I80 VanDerWaalsContact NH1-CD1 3.32Å; R17-I80 PolarHBondContact O-N 3.14Å
18L97.3Very high90Very high0 Ų068.9 Ų68.90%032%0.324CS..EExtended strand (participates in β ladder)trans-134.9123.2-176.1179.762.2000111.9L13 I14 L66 I80 I98 Y101L13-L18 HydrophobicContact CB-CD2 4.1Å; L13-L18 HydrophobicContact CB-CG 4.14Å; L13-L18 PolarHBondContact N-O 3.23Å; I14-L18 HydrophobicContact CB-CB 3.83Å; I14-L18 HydrophobicContact CD1-CB 3.79Å; I14-L18 HydrophobicContact CD1-CD2 3.86Å; I14-L18 HydrophobicContact CD1-CG 4.5Å; I14-L18 HydrophobicContact CG1-CB 3.81Å; I14-L18 HydrophobicContact CG1-CD2 4.11Å; I14-L18 PolarHBondContact N-O 3.3Å; I14-L18 PolarHBondContact O-N 3.42Å; L18-L66 HydrophobicContact CD1-CD1 3.77Å; L18-L66 HydrophobicContact CD1-CD2 4.39Å; L18-L66 HydrophobicContact CD2-CD1 4.48Å; L18-L66 HydrophobicContact CD2-CD2 4.03Å; L18-I80 WeakPolarHBondContact CA-O 3.4Å; L18-I80 HydrophobicContact CD1-CB 4.36Å; L18-I80 HydrophobicContact CD1-CG2 3.95Å; L18-I98 HydrophobicContact CD1-CD1 4.39Å; L18-I98 HydrophobicContact CG-CD1 4.47Å; L18-Y101 HydrophobicContact CD2-CD1 4.35Å; L18-Y101 HydrophobicContact CD2-CE1 4.13Å
19Y95.8Very high91.5Very high3 Ų361.6 Ų61.61%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-129.6154.6-179.7-57.3-95.4000112A11 E12 D16 R79 I80 V81 H82A11-Y19 CarbonylContact O-C 3.36Å; A11-Y19 WeakPolarHBondContact O-CA 3.26Å; E12-Y19 HydrophobicContact CB-CD1 3.85Å; E12-Y19 HydrophobicContact CB-CE1 3.69Å; E12-Y19 HydrophobicContact CG-CD1 3.99Å; E12-Y19 HydrophobicContact CG-CE1 3.5Å; E12-Y19 WeakPolarHBondContact OE1-CE1 3.48Å; E12-Y19 VanDerWaalsContact OE1-CZ 3.25Å; E12-Y19 PolarHBondContact OE1-OH 2.98Å; D16-Y19 WeakPolarHBondContact CA-OH 3.44Å; D16-Y19 PolarHBondContact N-OH 3.06Å; Y19-R79 HydrophobicContact CD2-CB 4.28Å; Y19-R79 HydrophobicContact CE2-CB 4.06Å; Y19-R79 HydrophobicContact CE2-CG 3.89Å; Y19-I80 PolarHBondContact N-O 2.97Å; Y19-V81 HydrophobicContact CD2-CG2 4.48Å; Y19-V81 WeakPolarHBondContact O-CA 3.38Å; Y19-H82 PolarHBondContact O-N 3.28Å
20F95.4Very high92.4Very high2 Ų262.5 Ų62.51%0.00931%0.305CS..EExtended strand (participates in β ladder)trans-118.2132.8169.3-178.9-119.3000110.9A10 A11 L13 H82 T84 A94 A95 I98 L117 Y125A10-F20 CarbonylContact C-O 3.53Å; A10-F20 WeakPolarHBondContact CA-O 3.37Å; A10-F20 WeakPolarHBondContact CB-O 3.42Å; A11-F20 HydrophobicContact CB-CB 4.3Å; A11-F20 PolarHBondContact N-O 3.18Å; A11-F20 PolarHBondContact O-N 3.19Å; L13-F20 HydrophobicContact CD2-CB 3.83Å; F20-H82 CarbonylContact C-O 3.59Å; F20-H82 VanDerWaalsContact CA-O 3.26Å; F20-H82 WeakPolarHBondContact CA-O 3.5Å; F20-H82 HydrophobicContact CD2-CB 4.19Å; F20-H82 AromaticContact CD2-CG 3.98Å; F20-H82 AromaticContact CD2-ND1 3.62Å; F20-H82 WeakPolarHBondContact CD2-O 3.21Å; F20-H82 AromaticContact CE2-ND1 3.75Å; F20-T84 HydrophobicContact CE2-CG2 3.91Å; F20-T84 HydrophobicContact CZ-CG2 3.6Å; F20-A94 HydrophobicContact CE2-CB 3.83Å; F20-A94 HydrophobicContact CZ-CB 3.85Å; F20-A95 HydrophobicContact CE1-CB 4.23Å; F20-A95 HydrophobicContact CZ-CB 4.41Å; F20-I98 HydrophobicContact CB-CD1 3.88Å; F20-I98 HydrophobicContact CB-CG2 4.2Å; F20-I98 HydrophobicContact CD1-CG2 4.32Å; F20-I98 HydrophobicContact CD2-CD1 4.36Å; F20-I98 HydrophobicContact CD2-CG2 3.9Å; F20-I98 HydrophobicContact CE2-CG2 4.33Å; F20-I98 HydrophobicContact CG-CD1 4.46Å; F20-I98 HydrophobicContact CG-CG2 3.89Å; F20-L117 HydrophobicContact CB-CD2 4.24Å; F20-L117 HydrophobicContact CD1-CD2 3.54Å; F20-L117 HydrophobicContact CE1-CD2 4.16Å; F20-L117 HydrophobicContact CG-CD2 4.09Å; F20-Y125 HydrophobicContact CE1-CE1 4.4Å
21A93.6Very high92.8Very high3 Ų367 Ų673%0.02533%0.33CS..EExtended strand (participates in β ladder)trans-138142.6-176.400000113.6A10 L23 V81 H82 Y83 T84A10-A21 HydrophobicContact CB-CB 3.98Å; A21-L23 HydrophobicContact CB-CD2 4.18Å; A21-L23 HydrophobicContact CB-CG 4.11Å; A21-V81 HydrophobicContact CB-CG1 3.93Å; A21-H82 PolarHBondContact N-O 2.93Å; A21-Y83 CarbonylContact O-C 3.57Å; A21-Y83 WeakPolarHBondContact O-CA 3.49Å; A21-T84 PolarHBondContact O-N 3.23Å
22T92.6Very high93Very high16 Ų1670.6 Ų70.610%0.09835%0.35CS..EExtended strand (participates in β ladder)trans-94.9117166.1-56.90000108.8S85 F86 R91T22-S85 WeakPolarHBondContact CG2-O 3.39Å; T22-F86 HydrophobicContact CG2-CD1 4.09Å; T22-F86 HydrophobicContact CG2-CD2 3.67Å; T22-F86 HydrophobicContact CG2-CE1 4.1Å; T22-F86 HydrophobicContact CG2-CE2 3.68Å; T22-F86 HydrophobicContact CG2-CG 3.88Å; T22-F86 HydrophobicContact CG2-CZ 3.9Å; T22-R91 HydrophobicContact CG2-CG 4.05Å; T22-R91 PolarHBondContact OG1-NE 3.28Å; T22-R91 VanDerWaalsContact OG1-NE 3.07Å
23L91.3Very high93.2Very high43 Ų4367.8 Ų67.823%0.22534%0.337CS..  trans-124.9141.9-174-59.8-179.1000112.4A21 P27 Y35 Y83 T84 F86A21-L23 HydrophobicContact CB-CD2 4.18Å; A21-L23 HydrophobicContact CB-CG 4.11Å; L23-P27 HydrophobicContact CD1-CB 4.16Å; L23-P27 HydrophobicContact CD1-CG 3.65Å; L23-Y35 HydrophobicContact CD1-CD1 4.28Å; L23-Y35 HydrophobicContact CD1-CE1 4.2Å; L23-Y83 HydrophobicContact CB-CD2 4.17Å; L23-Y83 HydrophobicContact CD1-CD2 4.09Å; L23-Y83 HydrophobicContact CD1-CG 3.83Å; L23-Y83 HydrophobicContact CG-CD2 4.46Å; L23-Y83 HydrophobicContact CG-CG 4.46Å; L23-T84 PolarHBondContact N-O 3.12Å; L23-F86 VanDerWaalsContact C-CD2 3.49Å
24R87.3Confident93.4Very high222 Ų22270.2 Ų70.284%0.83835%0.348SS*.SBendtrans-76.4-22.6-178.3-68.7-169.6178.5-165.60.2114F86R24-F86 HydrophobicContact CB-CD2 4.23Å; R24-F86 HydrophobicContact CB-CE2 4.24Å; R24-F86 HydrophobicContact CG-CD2 3.51Å; R24-F86 HydrophobicContact CG-CE2 3.33Å; R24-F86 HydrophobicContact CG-CG 4.29Å; R24-F86 HydrophobicContact CG-CZ 3.99Å
25S88.3Confident93.5Very high91 Ų9169.9 Ų69.964%0.63634%0.344SS*.SBendtrans-144.4159.6-176.858.40000110.1P27S25-P27 WeakPolarHBondContact O-CD 3.44Å
26K91.4Very high93.7Very high177 Ų17763 Ų6377%0.7731%0.314SS*.  trans-65.1111.4177.3177167.9-176.5178.30109.9
27P92.9Very high93.9Very high31 Ų3160.6 Ų60.620%0.20130%0.303CS..PPolyproline II helixtrans-70.1151176.332.6-37.3000110.6L23 S25 Y35 Y83L23-P27 HydrophobicContact CD1-CB 4.16Å; L23-P27 HydrophobicContact CD1-CG 3.65Å; S25-P27 WeakPolarHBondContact O-CD 3.44Å; P27-Y35 HydrophobicContact CB-CD1 3.95Å; P27-Y35 HydrophobicContact CB-CD2 3.89Å; P27-Y35 HydrophobicContact CB-CE1 4.15Å; P27-Y35 HydrophobicContact CB-CE2 4.11Å; P27-Y35 HydrophobicContact CB-CG 3.82Å; P27-Y35 HydrophobicContact CG-CD1 3.4Å; P27-Y35 VanDerWaalsContact CG-CD1 3.4Å; P27-Y35 HydrophobicContact CG-CD2 3.97Å; P27-Y35 HydrophobicContact CG-CE1 4.04Å; P27-Y35 HydrophobicContact CG-CG 3.37Å; P27-Y83 HydrophobicContact CG-CD1 3.81Å; P27-Y83 HydrophobicContact CG-CE1 3.82Å; P27-Y83 HydrophobicContact CG-CG 4.24Å
28K92.1Very high94Very high190 Ų19058.8 Ų58.883%0.82630%0.297SS*.PPolyproline II helixtrans-85.3139.6165.6-66-176.5-180-179.90108.8
29S92.1Very high94Very high55 Ų5559.4 Ų59.439%0.38530%0.3SS..PPolyproline II helixtrans-69.1142.7171.4-68.20000110.5T33 H34 Y35S29-T33 CarbonylContact C-O 3.27Å; S29-T33 WeakPolarHBondContact CA-O 3.39Å; S29-T33 WeakPolarHBondContact CB-O 3.33Å; S29-H34 PolarHBondContact OG-CE1 2.79Å; S29-Y35 PolarHBondContact OG-N 3.45Å; S29-Y35 VanDerWaalsContact OG-N 3.1Å
30T93.3Very high94Very high48 Ų4865.4 Ų65.429%0.29433%0.333SS..  trans-105.9-177.5-179.6770000110.9E4 N32 T33 K78E4-T30 PolarHBondContact OE1-OG1 2.96Å; E4-T30 VanDerWaalsContact OE1-OG1 3.05Å; T30-N32 PolarHBondContact O-N 3.45Å; T30-N32 PolarHBondContact OG1-N 3.33Å; T30-T33 PolarHBondContact N-O 3.24Å; T30-T33 PolarHBondContact OG1-N 2.89Å; T30-T33 VanDerWaalsContact OG1-N 3.07Å; T30-K78 PolarHBondContact O-NZ 2.85Å
31V93.1Very high94Very high117 Ų11768.8 Ų68.871%0.70935%0.348SS*.SBendtrans-58.7-38.8171.5-68.80000111.4K78V31-K78 WeakPolarHBondContact O-CD 3.45Å; V31-K78 WeakPolarHBondContact O-CE 3.3Å; V31-K78 PolarHBondContact O-NZ 3.4Å
32N94.7Very high94.2Very high76 Ų7669.7 Ų69.741%0.40635%0.352SS..SBendtrans-102.7-12.5-175.9-55.7-35.7000114.2E4 T30 K78 R79E4-N32 WeakPolarHBondContact OE2-CB 3.32Å; E4-N32 PolarHBondContact OE2-ND2 3.12Å; T30-N32 PolarHBondContact O-N 3.45Å; T30-N32 PolarHBondContact OG1-N 3.33Å; N32-K78 CarbonylContact O-C 3.5Å; N32-K78 WeakPolarHBondContact O-CA 3.49Å; N32-K78 WeakPolarHBondContact O-CB 3.13Å; N32-R79 PolarHBondContact O-N 3.1Å
33T96.2Very high94.3Very high10 Ų1072 Ų726%0.06137%0.366CS..EExtended strand (participates in β ladder)trans-130.1127.4-174.4-52.80000112.6S29 T30 Y35 R79 V81S29-T33 CarbonylContact C-O 3.27Å; S29-T33 WeakPolarHBondContact CA-O 3.39Å; S29-T33 WeakPolarHBondContact CB-O 3.33Å; T30-T33 PolarHBondContact N-O 3.24Å; T30-T33 PolarHBondContact OG1-N 2.89Å; T30-T33 VanDerWaalsContact OG1-N 3.07Å; T33-Y35 HydrophobicContact CG2-CD2 3.91Å; T33-Y35 HydrophobicContact CG2-CE1 4.23Å; T33-Y35 HydrophobicContact CG2-CE2 3.4Å; T33-Y35 VanDerWaalsContact CG2-CE2 3.4Å; T33-R79 CarbonylContact C-O 3.41Å; T33-R79 WeakPolarHBondContact CA-O 3.21Å; T33-R79 HydrophobicContact CG2-CB 4.26Å; T33-V81 HydrophobicContact CG2-CG2 3.53Å
34H97.5Very high94.6Very high57 Ų5771.2 Ų71.226%0.26436%0.36SS..EExtended strand (participates in β ladder)trans-104.5116.4171178.675.1000110.7S29 L75 K78 R79 V81S29-H34 PolarHBondContact OG-CE1 2.79Å; H34-L75 HydrophobicContact CB-CD2 3.85Å; H34-K78 HydrophobicContact CB-CD 4.36Å; H34-R79 PolarHBondContact N-O 2.96Å; H34-V81 PolarHBondContact O-N 3.2Å
35Y97.2Very high94.9Very high44 Ų4463.8 Ų63.817%0.17334%0.335CS..EExtended strand (participates in β ladder)trans-96.5139.2175-67.3-88.8000111.2L23 P27 S29 T33 V81 Y83L23-Y35 HydrophobicContact CD1-CD1 4.28Å; L23-Y35 HydrophobicContact CD1-CE1 4.2Å; P27-Y35 HydrophobicContact CB-CD1 3.95Å; P27-Y35 HydrophobicContact CB-CD2 3.89Å; P27-Y35 HydrophobicContact CB-CE1 4.15Å; P27-Y35 HydrophobicContact CB-CE2 4.11Å; P27-Y35 HydrophobicContact CB-CG 3.82Å; P27-Y35 HydrophobicContact CG-CD1 3.4Å; P27-Y35 VanDerWaalsContact CG-CD1 3.4Å; P27-Y35 HydrophobicContact CG-CD2 3.97Å; P27-Y35 HydrophobicContact CG-CE1 4.04Å; P27-Y35 HydrophobicContact CG-CG 3.37Å; S29-Y35 PolarHBondContact OG-N 3.45Å; S29-Y35 VanDerWaalsContact OG-N 3.1Å; T33-Y35 HydrophobicContact CG2-CD2 3.91Å; T33-Y35 HydrophobicContact CG2-CE1 4.23Å; T33-Y35 HydrophobicContact CG2-CE2 3.4Å; T33-Y35 VanDerWaalsContact CG2-CE2 3.4Å; Y35-V81 WeakPolarHBondContact CA-O 3.25Å; Y35-V81 HydrophobicContact CD1-CB 3.55Å; Y35-V81 HydrophobicContact CD1-CG1 3.74Å; Y35-V81 HydrophobicContact CD1-CG2 4.15Å; Y35-V81 HydrophobicContact CE1-CB 3.71Å; Y35-V81 HydrophobicContact CE1-CG1 3.73Å; Y35-V81 HydrophobicContact CE1-CG2 3.86Å; Y35-V81 HydrophobicContact CG-CB 4.35Å; Y35-Y83 HydrophobicContact CD1-CD1 4.3Å
36F97.6Very high95.2Very high13 Ų1363.7 Ų63.76%0.05733%0.327CS..EExtended strand (participates in β ladder)trans-143.4155.9167.778.8-76.3000111.1T38 Y62 L66 K69 I80 V81 H82 Y83F36-T38 HydrophobicContact CD2-CG2 4.25Å; F36-T38 HydrophobicContact CE2-CG2 4.16Å; F36-Y62 HydrophobicContact CE2-CE2 4.15Å; F36-Y62 HydrophobicContact CZ-CE2 4.39Å; F36-L66 HydrophobicContact CE1-CD1 4.3Å; F36-L66 HydrophobicContact CZ-CD1 4.11Å; F36-K69 HydrophobicContact CB-CD 4.49Å; F36-K69 HydrophobicContact CD1-CD 3.8Å; F36-K69 HydrophobicContact CD2-CD 4.23Å; F36-K69 HydrophobicContact CE1-CD 4.02Å; F36-K69 HydrophobicContact CE2-CD 4.42Å; F36-K69 HydrophobicContact CG-CD 3.91Å; F36-K69 HydrophobicContact CZ-CD 4.31Å; F36-I80 HydrophobicContact CD1-CG2 4.02Å; F36-I80 HydrophobicContact CE1-CG2 3.61Å; F36-V81 WeakPolarHBondContact CD1-O 3.4Å; F36-V81 PolarHBondContact N-O 3.25Å; F36-H82 HydrophobicContact CD1-CB 4.42Å; F36-H82 HydrophobicContact CE1-CB 3.65Å; F36-H82 HydrophobicContact CE2-CB 4.3Å; F36-H82 AromaticContact CE2-CD2 3.88Å; F36-H82 HydrophobicContact CZ-CB 3.59Å; F36-H82 AromaticContact CZ-CG 3.87Å; F36-H82 CarbonylContact O-C 3.58Å; F36-H82 WeakPolarHBondContact O-CA 3.38Å; F36-Y83 VanDerWaalsContact O-CD1 3.23Å; F36-Y83 WeakPolarHBondContact O-CD1 3.42Å; F36-Y83 PolarHBondContact O-N 3.48Å
37C97.1Very high95.2Very high32 Ų3255.6 Ų55.622%0.21629%0.292CS..  trans-138156.2178.9172.50000108.7D39 Y83C37-D39 WeakPolarHBondContact SG-CB 3.4Å; C37-D39 PolarHBondContact SG-N 2.78Å; C37-D39 VanDerWaalsContact SG-N 3.36Å; C37-D39 PolarHBondContact SG-OD1 3.16Å; C37-Y83 WeakPolarHBondContact CA-O 3.43Å; C37-Y83 HydrophobicContact CB-CD1 3.92Å; C37-Y83 HydrophobicContact CB-CD2 4.07Å; C37-Y83 HydrophobicContact CB-CE1 3.47Å; C37-Y83 VanDerWaalsContact CB-CE1 3.47Å; C37-Y83 HydrophobicContact CB-CE2 3.63Å; C37-Y83 HydrophobicContact CB-CG 4.18Å; C37-Y83 WeakPolarHBondContact CB-O 3.03Å; C37-Y83 PolarHBondContact SG-O 2.77Å
38T97.6Very high95.2Very high5 Ų559.4 Ų59.43%0.03130%0.303CS..  trans-127.74-179.259.20000112.7F36 D40 E41 F42 Y62 H82F36-T38 HydrophobicContact CD2-CG2 4.25Å; F36-T38 HydrophobicContact CE2-CG2 4.16Å; T38-D40 PolarHBondContact O-N 2.74Å; T38-D40 VanDerWaalsContact O-N 3.15Å; T38-E41 WeakPolarHBondContact CG2-OE2 3.32Å; T38-E41 PolarHBondContact O-N 2.79Å; T38-F42 HydrophobicContact CG2-CD2 3.95Å; T38-F42 HydrophobicContact CG2-CE2 3.85Å; T38-F42 PolarHBondContact O-N 2.94Å; T38-Y62 HydrophobicContact CG2-CD2 4.1Å; T38-Y62 HydrophobicContact CG2-CE2 4.3Å; T38-H82 PolarHBondContact N-NE2 3.01Å; T38-H82 PolarHBondContact OG1-NE2 2.66Å
39D96.8Very high95.4Very high12 Ų1252.2 Ų52.26%0.06428%0.279CS..THydrogen-bonded Turntrans-54.8-32-174.7-78.420.1000114.3C37 T84 S85 K90C37-D39 WeakPolarHBondContact SG-CB 3.4Å; C37-D39 PolarHBondContact SG-N 2.78Å; C37-D39 VanDerWaalsContact SG-N 3.36Å; C37-D39 PolarHBondContact SG-OD1 3.16Å; D39-T84 VanDerWaalsContact CG-OG1 3.32Å; D39-T84 WeakPolarHBondContact OD1-CA 3.22Å; D39-T84 WeakPolarHBondContact OD1-CB 3.44Å; D39-T84 PolarHBondContact OD1-OG1 2.93Å; D39-T84 PolarHBondContact OD2-OG1 3.34Å; D39-S85 WeakPolarHBondContact OD2-CB 3.31Å; D39-S85 PolarHBondContact OD2-N 3.3Å; D39-S85 PolarHBondContact OD2-OG 3.09Å; D39-K90 HydrophobicContact CB-CD 3.85Å; D39-K90 HydrophobicContact CB-CG 4.38Å; D39-K90 VanDerWaalsContact O-CE 3.24Å; D39-K90 WeakPolarHBondContact O-CE 3.49Å
40D95.5Very high95.6Very high130 Ų13049.8 Ų49.870%0.69526%0.262SS*.THydrogen-bonded Turntrans-110.75-178-53.8-52.8000112.4T38 K90T38-D40 PolarHBondContact O-N 2.74Å; T38-D40 VanDerWaalsContact O-N 3.15Å; D40-K90 IonicContact OD1-NZ 3.82Å; D40-K90 PolarHBondContact OD1-NZ 2.83Å
41E96.3Very high95.9Very high73 Ų7348.4 Ų48.434%0.34125%0.252SS..THydrogen-bonded Turntrans-104.8-55.1179.6177.3-176.4-159.900110T38 V43 K65 R429T38-E41 WeakPolarHBondContact CG2-OE2 3.32Å; T38-E41 PolarHBondContact O-N 2.79Å; E41-V43 PolarHBondContact O-N 3.11Å; E41-K65 IonicContact OE1-NZ 2.65Å; E41-K65 PolarHBondContact OE1-NZ 3.44Å; E41-K65 IonicContact OE2-NZ 2.65Å; E41-K65 PolarHBondContact OE2-NZ 3.34Å; E41-R429 PolarHBondContact O-NH1 3.07Å
42F96.6Very high96.1Very high22 Ų2242.9 Ų42.910%0.09622%0.218CC..SBendtrans-95.874.3175.2-55.3-39.4000109.2T38 L54 M58 R61 Y62 L97T38-F42 HydrophobicContact CG2-CD2 3.95Å; T38-F42 HydrophobicContact CG2-CE2 3.85Å; T38-F42 PolarHBondContact O-N 2.94Å; F42-L54 HydrophobicContact CB-CD1 3.9Å; F42-L54 VanDerWaalsContact O-CD2 3.3Å; F42-L54 WeakPolarHBondContact O-CD2 3.37Å; F42-M58 HydrophobicContact CB-CB 4.31Å; F42-M58 HydrophobicContact CB-CG 4.28Å; F42-M58 HydrophobicContact CB-SD 4.2Å; F42-M58 HydrophobicContact CD1-CB 4.35Å; F42-M58 HydrophobicContact CD1-CG 4.18Å; F42-M58 HydrophobicContact CG-CB 4.31Å; F42-M58 HydrophobicContact CG-CG 4.43Å; F42-R61 HydrophobicContact CE1-CB 3.99Å; F42-R61 HydrophobicContact CZ-CB 3.96Å; F42-Y62 HydrophobicContact CD2-CD2 4.49Å; F42-Y62 HydrophobicContact CE2-CD2 4.12Å; F42-Y62 HydrophobicContact CE2-CG 4.46Å; F42-L97 HydrophobicContact CD2-CD1 3.92Å
43V96.3Very high96.3Very high65 Ų6539.3 Ų39.339%0.39420%0.199SC..  trans-87.5120.7177.9-176.80000109.5E41 R429E41-V43 PolarHBondContact O-N 3.11Å; V43-R429 PolarHBondContact O-NH2 3.1Å
44Y96.6Very high96.4Very high26 Ų2639.3 Ų39.310%0.10220%0.199CC..  trans-67132.5172.9-177.2-96000110.8N46 D50 F51 P53 L54 P312Y44-N46 HydrophobicContact CD1-CB 4.24Å; Y44-N46 HydrophobicContact CE1-CB 4.16Å; Y44-D50 HydrophobicContact CE1-CB 4.23Å; Y44-D50 WeakPolarHBondContact CE1-O 3.47Å; Y44-D50 WeakPolarHBondContact CE1-OD2 3.36Å; Y44-D50 PolarHBondContact OH-OD2 3Å; Y44-F51 WeakPolarHBondContact CB-O 3.34Å; Y44-F51 VanDerWaalsContact CD1-CA 3.5Å; Y44-F51 VanDerWaalsContact CG-C 3.46Å; Y44-P53 WeakPolarHBondContact CD2-O 3.23Å; Y44-P53 VanDerWaalsContact CE2-O 3.3Å; Y44-P53 WeakPolarHBondContact CE2-O 3.49Å; Y44-L54 HydrophobicContact CD2-CD2 4.49Å; Y44-P312 HydrophobicContact CE2-CB 3.84Å; Y44-P312 HydrophobicContact CE2-CG 4.3Å
45E93.6Very high96.5Very high65 Ų6537 Ų3730%0.30419%0.188SC..  trans-95.2102.5176.1-67.2178.9-176.700109.4R426 R429E45-R426 VanDerWaalsContact O-CZ 3.29Å; E45-R426 PolarHBondContact O-NH1 2.7Å; E45-R426 PolarHBondContact O-NH2 3.33Å; E45-R426 WeakPolarHBondContact OE2-CD 3.33Å; E45-R426 IonicContact OE2-NH1 3.47Å; E45-R426 PolarHBondContact OE2-NH1 3.03Å; E45-R429 IonicContact OE1-CZ 3.39Å; E45-R429 IonicContact OE1-NE 3.08Å; E45-R429 PolarHBondContact OE1-NE 2.61Å; E45-R429 IonicContact OE1-NH2 3.92Å
46N93.9Very high96.5Very high90 Ų9035.3 Ų35.348%0.48118%0.182SC..  trans-70.3153.6-177.461.3-62.3000113Y44 Y48 D50 R426Y44-N46 HydrophobicContact CD1-CB 4.24Å; Y44-N46 HydrophobicContact CE1-CB 4.16Å; N46-Y48 PolarHBondContact ND2-O 3.32Å; N46-D50 WeakPolarHBondContact CB-O 3.47Å; N46-R426 PolarHBondContact O-NH2 3.28Å
47F92.4Very high96.5Very high6 Ų634.7 Ų34.73%0.02618%0.18CC..SBendtrans-91.5-48.3164.3-69-93.6000109.6D50 A131 L281 P312 L419 L422 K423F47-D50 PolarHBondContact N-OD1 3.5Å; F47-D50 PolarHBondContact N-OD2 2.95Å; F47-A131 HydrophobicContact CB-CB 3.97Å; F47-A131 HydrophobicContact CD2-CB 4.25Å; F47-A131 HydrophobicContact CG-CB 4.31Å; F47-L281 HydrophobicContact CD1-CD1 4.28Å; F47-L281 HydrophobicContact CE1-CD1 3.61Å; F47-L281 HydrophobicContact CE2-CD1 4.16Å; F47-L281 HydrophobicContact CZ-CD1 3.55Å; F47-P312 HydrophobicContact CE2-CB 4.49Å; F47-P312 WeakPolarHBondContact CE2-O 3.37Å; F47-L419 HydrophobicContact CB-CD2 3.73Å; F47-L419 HydrophobicContact CD1-CB 4.33Å; F47-L419 HydrophobicContact CD1-CD2 3.72Å; F47-L419 HydrophobicContact CG-CD2 3.92Å; F47-L422 VanDerWaalsContact O-CD1 3.29Å; F47-L422 WeakPolarHBondContact O-CD1 3.35Å; F47-K423 HydrophobicContact CE1-CB 3.96Å; F47-K423 HydrophobicContact CE1-CD 4.3Å; F47-K423 HydrophobicContact CE1-CG 4.24Å; F47-K423 HydrophobicContact CZ-CD 4.25Å; F47-K423 HydrophobicContact CZ-CG 4.5Å
48Y93.8Very high96.6Very high112 Ų11234.3 Ų34.344%0.43918%0.175SC..SBendtrans-134.9-103.1176.7-172.8-112.5000110.2N46 D50 S132 F133N46-Y48 PolarHBondContact ND2-O 3.32Å; Y48-D50 PolarHBondContact N-OD1 3.06Å; Y48-S132 WeakPolarHBondContact CD1-O 3.2Å; Y48-F133 HydrophobicContact CD1-CD1 4.46Å; Y48-F133 AromaticContact CD2-CD1 3.64Å; Y48-F133 HydrophobicContact CD2-CD1 3.64Å; Y48-F133 AromaticContact CD2-CE1 3.84Å; Y48-F133 HydrophobicContact CD2-CE1 3.84Å; Y48-F133 AromaticContact CE2-CD1 3.96Å; Y48-F133 HydrophobicContact CE2-CD1 3.96Å; Y48-F133 HydrophobicContact CE2-CE1 4.49Å; Y48-F133 AromaticContact CG-CD1 3.91Å; Y48-F133 HydrophobicContact CG-CD1 3.91Å; Y48-F133 HydrophobicContact CG-CE1 4.22Å
49A95.1Very high96.6Very high39 Ų3934.3 Ų34.332%0.32218%0.175SC..SBendtrans-100.1-3179.400000113.3R129A49-R129 WeakPolarHBondContact O-CD 3.36Å
50D97.5Very high96.7Very high3 Ų336 Ų362%0.01618%0.181CC..  trans-59.1140.8168.858.1-56.4000110.7Y44 N46 F47 Y48Y44-D50 HydrophobicContact CE1-CB 4.23Å; Y44-D50 WeakPolarHBondContact CE1-O 3.47Å; Y44-D50 WeakPolarHBondContact CE1-OD2 3.36Å; Y44-D50 PolarHBondContact OH-OD2 3Å; N46-D50 WeakPolarHBondContact CB-O 3.47Å; F47-D50 PolarHBondContact N-OD1 3.5Å; F47-D50 PolarHBondContact N-OD2 2.95Å; Y48-D50 PolarHBondContact N-OD1 3.06Å
51F98Very high96.8Very high20 Ų2032.6 Ų32.69%0.08816%0.158CC..  trans-133.40.6-174.966.4-95.9000113.4Y44 R89 A92 N93 L126 P127 F128 R129Y44-F51 WeakPolarHBondContact CB-O 3.34Å; Y44-F51 VanDerWaalsContact CD1-CA 3.5Å; Y44-F51 VanDerWaalsContact CG-C 3.46Å; F51-R89 HydrophobicContact CB-CB 3.97Å; F51-R89 HydrophobicContact CB-CG 3.96Å; F51-R89 HydrophobicContact CD1-CB 4.5Å; F51-R89 HydrophobicContact CD1-CG 3.93Å; F51-R89 HydrophobicContact CD2-CB 3.43Å; F51-R89 VanDerWaalsContact CD2-CB 3.43Å; F51-R89 HydrophobicContact CD2-CG 3.77Å; F51-R89 HydrophobicContact CE1-CG 4.37Å; F51-R89 HydrophobicContact CE2-CB 4.02Å; F51-R89 HydrophobicContact CE2-CG 4.23Å; F51-R89 HydrophobicContact CG-CB 3.71Å; F51-R89 HydrophobicContact CG-CG 3.6Å; F51-A92 HydrophobicContact CE2-CB 4.05Å; F51-N93 PolarHBondContact O-ND2 3.27Å; F51-L126 HydrophobicContact CD1-CD2 4.46Å; F51-L126 HydrophobicContact CE1-CD2 3.68Å; F51-L126 HydrophobicContact CE1-CG 4.02Å; F51-L126 HydrophobicContact CE2-CD2 4.5Å; F51-L126 HydrophobicContact CZ-CB 4.23Å; F51-L126 HydrophobicContact CZ-CD2 3.7Å; F51-L126 HydrophobicContact CZ-CG 3.77Å; F51-P127 WeakPolarHBondContact CE1-O 3.29Å; F51-P127 VanDerWaalsContact CZ-O 3.28Å; F51-P127 WeakPolarHBondContact CZ-O 3.45Å; F51-F128 AromaticContact CD2-CD1 3.94Å; F51-F128 HydrophobicContact CD2-CD1 3.94Å; F51-F128 HydrophobicContact CD2-CE1 4.11Å; F51-F128 AromaticContact CE2-CD1 3.37Å; F51-F128 HydrophobicContact CE2-CD1 3.37Å; F51-F128 AromaticContact CE2-CE1 3.56Å; F51-F128 HydrophobicContact CE2-CE1 3.56Å; F51-F128 HydrophobicContact CE2-CG 4.4Å; F51-F128 AromaticContact CZ-CD1 3.79Å; F51-F128 HydrophobicContact CZ-CD1 3.79Å; F51-F128 HydrophobicContact CZ-CE1 4.34Å; F51-F128 HydrophobicContact CZ-CG 4.45Å; F51-R129 HydrophobicContact CD1-CG 4.39Å; F51-R129 HydrophobicContact CE1-CG 4.42Å
52G98.1Very high96.9Very high1 Ų129.1 Ų29.11%0.0114%0.142CC..  trans167.4-175.6-173.900000112.3N93G52-N93 WeakPolarHBondContact CA-OD1 3.21Å
53P98.6Very high97Very high1 Ų128.1 Ų28.11%0.00614%0.137CC..PPolyproline II helixcis-66.6160.2-2.629.2-36.7000112.7Y44 N93 V96 F128 R308 I309Y44-P53 WeakPolarHBondContact CD2-O 3.23Å; Y44-P53 VanDerWaalsContact CE2-O 3.3Å; Y44-P53 WeakPolarHBondContact CE2-O 3.49Å; P53-N93 WeakPolarHBondContact CA-OD1 3.32Å; P53-V96 HydrophobicContact CB-CG1 4.35Å; P53-F128 HydrophobicContact CB-CE1 4.33Å; P53-F128 HydrophobicContact CB-CE2 4.28Å; P53-F128 HydrophobicContact CB-CZ 4.15Å; P53-R308 HydrophobicContact CG-CB 4.34Å; P53-I309 HydrophobicContact CB-CG1 4.28Å; P53-I309 HydrophobicContact CG-CG1 3.82Å
54L98.6Very high97.1Very high9 Ų927.3 Ų27.35%0.04713%0.134CC..PPolyproline II helixtrans-60.8151.2171.3-64.9169.2000111.3F42 Y44 M58 N93 L97F42-L54 HydrophobicContact CB-CD1 3.9Å; F42-L54 VanDerWaalsContact O-CD2 3.3Å; F42-L54 WeakPolarHBondContact O-CD2 3.37Å; Y44-L54 HydrophobicContact CD2-CD2 4.49Å; L54-M58 HydrophobicContact CB-CB 4.06Å; L54-M58 HydrophobicContact CB-SD 4.14Å; L54-M58 HydrophobicContact CD2-SD 3.54Å; L54-M58 VanDerWaalsContact CD2-SD 3.54Å; L54-M58 HydrophobicContact CG-SD 4.31Å; L54-N93 HydrophobicContact CD1-CB 3.87Å; L54-N93 HydrophobicContact CG-CB 3.93Å; L54-N93 PolarHBondContact N-OD1 3.37Å; L54-N93 VanDerWaalsContact N-OD1 3.16Å; L54-L97 HydrophobicContact CB-CD2 4.43Å; L54-L97 HydrophobicContact CD1-CD1 3.59Å; L54-L97 HydrophobicContact CD1-CD2 4.05Å; L54-L97 HydrophobicContact CD1-CG 3.86Å
55N98.4Very high97.1Very high8 Ų829 Ų294%0.04314%0.142CC..PPolyproline II helixtrans-76.3172.3-172.580.64.8000113.3A57 M58 L59 Y168 E172 I309 P312N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.81Å; N55-A57 PolarHBondContact OD1-N 2.75Å; N55-M58 PolarHBondContact O-N 2.86Å; N55-M58 VanDerWaalsContact O-N 3.15Å; N55-M58 VanDerWaalsContact OD1-CG 3.32Å; N55-M58 WeakPolarHBondContact OD1-CG 3.2Å; N55-M58 PolarHBondContact OD1-N 3.43Å; N55-L59 PolarHBondContact O-N 3.14Å; N55-Y168 WeakPolarHBondContact CB-OH 3.37Å; N55-Y168 PolarHBondContact ND2-OH 3.48Å; N55-E172 PolarHBondContact ND2-OE1 3.08Å; N55-E172 PolarHBondContact ND2-OE2 2.64Å; N55-I309 CarbonylContact C-O 3.54Å; N55-I309 VanDerWaalsContact CA-O 3.26Å; N55-I309 WeakPolarHBondContact CA-O 3.44Å; N55-P312 HydrophobicContact CB-CG 3.75Å
56L97.7Very high97.4Very high9 Ų925.9 Ų25.95%0.04713%0.128CC..Hα-helixtrans-60.4-39.3-175.7-166.862.7000113L59 Y60 F158 F163 Y168 W306 I309L56-L59 PolarHBondContact O-N 3.34Å; L56-Y60 WeakPolarHBondContact O-CB 3.49Å; L56-Y60 PolarHBondContact O-N 2.86Å; L56-F158 HydrophobicContact CD1-CD1 3.91Å; L56-F158 HydrophobicContact CD1-CD2 3.99Å; L56-F158 HydrophobicContact CD1-CE1 3.54Å; L56-F158 HydrophobicContact CD1-CE2 3.67Å; L56-F158 HydrophobicContact CD1-CG 4.12Å; L56-F158 HydrophobicContact CD1-CZ 3.45Å; L56-F158 VanDerWaalsContact CD1-CZ 3.45Å; L56-F158 HydrophobicContact CD2-CD2 3.87Å; L56-F158 HydrophobicContact CD2-CE2 3.69Å; L56-F158 HydrophobicContact CD2-CZ 4.3Å; L56-F158 HydrophobicContact CG-CD2 4.2Å; L56-F158 HydrophobicContact CG-CE1 4.35Å; L56-F158 HydrophobicContact CG-CE2 3.64Å; L56-F158 HydrophobicContact CG-CZ 3.75Å; L56-F163 HydrophobicContact CB-CZ 4.48Å; L56-F163 HydrophobicContact CD2-CE2 3.83Å; L56-F163 HydrophobicContact CD2-CZ 4.01Å; L56-F163 HydrophobicContact CG-CE2 4.31Å; L56-F163 HydrophobicContact CG-CZ 4.01Å; L56-Y168 HydrophobicContact CB-CE2 4.04Å; L56-W306 HydrophobicContact CD1-CH2 4.09Å; L56-W306 HydrophobicContact CD1-CZ3 4.21Å; L56-I309 HydrophobicContact CB-CG2 4.17Å; L56-I309 HydrophobicContact CD1-CG2 3.96Å; L56-I309 PolarHBondContact N-O 2.76Å
57A98.1Very high97.5Very high0 Ų023 Ų230%011%0.112CC..Hα-helixtrans-63.2-42.1174.700000112.5N55 Y60 R61 V165 Y168 E169N55-A57 VanDerWaalsContact C-N 3.34Å; N55-A57 PolarHBondContact O-N 2.81Å; N55-A57 PolarHBondContact OD1-N 2.75Å; A57-Y60 PolarHBondContact O-N 3.13Å; A57-R61 WeakPolarHBondContact O-CB 3.2Å; A57-R61 WeakPolarHBondContact O-CG 3.29Å; A57-R61 PolarHBondContact O-N 3.19Å; A57-V165 HydrophobicContact CB-CG2 3.65Å; A57-Y168 HydrophobicContact CB-CD1 3.51Å; A57-Y168 HydrophobicContact CB-CE1 3.67Å; A57-Y168 HydrophobicContact CB-CG 4.42Å; A57-E169 HydrophobicContact CB-CG 3.79Å
58M98.5Very high97.8Very high25 Ų2530.4 Ų30.412%0.12314%0.144CC..Hα-helixtrans-67.4-38.3176.6-67.6175.6-169.800112F42 L54 N55 Y62F42-M58 HydrophobicContact CB-CB 4.31Å; F42-M58 HydrophobicContact CB-CG 4.28Å; F42-M58 HydrophobicContact CB-SD 4.2Å; F42-M58 HydrophobicContact CD1-CB 4.35Å; F42-M58 HydrophobicContact CD1-CG 4.18Å; F42-M58 HydrophobicContact CG-CB 4.31Å; F42-M58 HydrophobicContact CG-CG 4.43Å; L54-M58 HydrophobicContact CB-CB 4.06Å; L54-M58 HydrophobicContact CB-SD 4.14Å; L54-M58 HydrophobicContact CD2-SD 3.54Å; L54-M58 VanDerWaalsContact CD2-SD 3.54Å; L54-M58 HydrophobicContact CG-SD 4.31Å; N55-M58 PolarHBondContact O-N 2.86Å; N55-M58 VanDerWaalsContact O-N 3.15Å; N55-M58 VanDerWaalsContact OD1-CG 3.32Å; N55-M58 WeakPolarHBondContact OD1-CG 3.2Å; N55-M58 PolarHBondContact OD1-N 3.43Å; M58-Y62 VanDerWaalsContact O-CB 3.23Å; M58-Y62 WeakPolarHBondContact O-CB 3.47Å; M58-Y62 PolarHBondContact O-N 2.84Å
59L98.4Very high98Very high5 Ų526.7 Ų26.73%0.02613%0.13CC..Hα-helixtrans-62.1-44.6171.4178.561.6000111.6N55 L56 Y62 C63 L97 I104 I149N55-L59 PolarHBondContact O-N 3.14Å; L56-L59 PolarHBondContact O-N 3.34Å; L59-Y62 PolarHBondContact O-N 2.85Å; L59-C63 PolarHBondContact O-N 3.01Å; L59-C63 PolarHBondContact O-SG 3.41Å; L59-L97 HydrophobicContact CB-CD2 4.32Å; L59-L97 HydrophobicContact CD1-CD2 4.2Å; L59-I104 HydrophobicContact CD1-CD1 4.48Å; L59-I104 HydrophobicContact CD2-CD1 4.19Å; L59-I104 HydrophobicContact CG-CD1 4.47Å; L59-I149 HydrophobicContact CD2-CD1 3.85Å; L59-I149 HydrophobicContact CD2-CG1 4.33Å
60Y98.4Very high98.1Very high48 Ų4826.2 Ų26.219%0.18812%0.122CC..Hα-helixtrans-60.5-55.9176177.5-101.7000111.8L56 A57 Y62 C63 C64 F160 F163 V165L56-Y60 WeakPolarHBondContact O-CB 3.49Å; L56-Y60 PolarHBondContact O-N 2.86Å; A57-Y60 PolarHBondContact O-N 3.13Å; Y60-Y62 VanDerWaalsContact C-N 3.28Å; Y60-Y62 PolarHBondContact O-N 3.24Å; Y60-C63 WeakPolarHBondContact O-CB 3.01Å; Y60-C63 PolarHBondContact O-N 2.76Å; Y60-C64 VanDerWaalsContact CZ-SG 3.56Å; Y60-C64 PolarHBondContact O-N 2.78Å; Y60-C64 PolarHBondContact O-SG 3.15Å; Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 AromaticContact CD2-CE1 3.96Å; Y60-F160 HydrophobicContact CD2-CE1 3.96Å; Y60-F160 HydrophobicContact CE2-CD1 4.09Å; Y60-F163 HydrophobicContact CD1-CD1 4.1Å; Y60-F163 HydrophobicContact CD1-CE1 4.37Å; Y60-F163 AromaticContact CD2-CD1 3.77Å; Y60-F163 HydrophobicContact CD2-CD1 3.77Å; Y60-F163 HydrophobicContact CE2-CD1 4.3Å; Y60-F163 AromaticContact CG-CD1 3.66Å; Y60-F163 HydrophobicContact CG-CD1 3.66Å; Y60-F163 HydrophobicContact CG-CE1 4.03Å; Y60-V165 HydrophobicContact CD1-CB 3.65Å; Y60-V165 HydrophobicContact CD1-CG1 3.95Å; Y60-V165 HydrophobicContact CD1-CG2 3.86Å; Y60-V165 HydrophobicContact CE1-CB 3.83Å; Y60-V165 HydrophobicContact CE1-CG1 3.69Å; Y60-V165 HydrophobicContact CE1-CG2 4.47Å
61R98.3Very high98Very high58 Ų5834.5 Ų34.522%0.21916%0.158CC..Hα-helixtrans-60.3-35.8179.6-67.6-170.7-171.3-71.96.1111.8F42 A57 K65 V165 D166 E169F42-R61 HydrophobicContact CE1-CB 3.99Å; F42-R61 HydrophobicContact CZ-CB 3.96Å; A57-R61 WeakPolarHBondContact O-CB 3.2Å; A57-R61 WeakPolarHBondContact O-CG 3.29Å; A57-R61 PolarHBondContact O-N 3.19Å; R61-K65 VanDerWaalsContact O-CB 3.25Å; R61-K65 WeakPolarHBondContact O-CB 3.18Å; R61-K65 PolarHBondContact O-N 3.5Å; R61-V165 HydrophobicContact CG-CG2 4.2Å; R61-D166 IonicContact CZ-OD1 2.74Å; R61-D166 IonicContact NH1-OD1 3.96Å; R61-D166 IonicContact NH2-OD1 3.26Å; R61-D166 PolarHBondContact NH2-OD1 3.36Å; R61-E169 IonicContact CZ-OE1 3.64Å; R61-E169 IonicContact CZ-OE2 2.68Å; R61-E169 IonicContact NE-OE1 3Å; R61-E169 PolarHBondContact NE-OE1 2.99Å; R61-E169 IonicContact NE-OE2 2.76Å; R61-E169 IonicContact NH2-OE1 3.63Å; R61-E169 PolarHBondContact NH2-OE1 2.9Å; R61-E169 IonicContact NH2-OE2 3.47Å; R61-E169 PolarHBondContact NH2-OE2 3.37Å
62Y98.6Very high98Very high0 Ų035.4 Ų35.40%017%0.167CC..Hα-helixtrans-60.1-49.3170.7177.6-91.4000112.2F36 T38 F42 M58 L59 Y60 C64 K65 L66 H82 L97 I98F36-Y62 HydrophobicContact CE2-CE2 4.15Å; F36-Y62 HydrophobicContact CZ-CE2 4.39Å; T38-Y62 HydrophobicContact CG2-CD2 4.1Å; T38-Y62 HydrophobicContact CG2-CE2 4.3Å; F42-Y62 HydrophobicContact CD2-CD2 4.49Å; F42-Y62 HydrophobicContact CE2-CD2 4.12Å; F42-Y62 HydrophobicContact CE2-CG 4.46Å; M58-Y62 VanDerWaalsContact O-CB 3.23Å; M58-Y62 WeakPolarHBondContact O-CB 3.47Å; M58-Y62 PolarHBondContact O-N 2.84Å; L59-Y62 PolarHBondContact O-N 2.85Å; Y60-Y62 VanDerWaalsContact C-N 3.28Å; Y60-Y62 PolarHBondContact O-N 3.24Å; Y62-C64 PolarHBondContact O-N 3.02Å; Y62-K65 WeakPolarHBondContact O-CB 3.32Å; Y62-K65 PolarHBondContact O-N 2.89Å; Y62-L66 HydrophobicContact CE1-CB 4.39Å; Y62-L66 HydrophobicContact CE1-CD2 3.82Å; Y62-L66 WeakPolarHBondContact O-CB 3.37Å; Y62-L66 PolarHBondContact O-N 3.4Å; Y62-H82 AromaticContact CE2-CE1 3.52Å; Y62-H82 AromaticContact CE2-ND1 3.64Å; Y62-H82 AromaticContact CZ-CE1 3.92Å; Y62-H82 AromaticContact CZ-ND1 3.62Å; Y62-H82 PolarHBondContact OH-ND1 2.86Å; Y62-L97 HydrophobicContact CD1-CB 3.89Å; Y62-L97 HydrophobicContact CD2-CB 3.93Å; Y62-L97 HydrophobicContact CD2-CD1 3.74Å; Y62-L97 HydrophobicContact CD2-CG 4.36Å; Y62-L97 HydrophobicContact CE1-CB 4.11Å; Y62-L97 WeakPolarHBondContact CE1-O 3.48Å; Y62-L97 HydrophobicContact CE2-CB 4.11Å; Y62-L97 HydrophobicContact CE2-CD1 4.35Å; Y62-L97 HydrophobicContact CG-CB 3.82Å; Y62-L97 HydrophobicContact CG-CD1 4.07Å; Y62-L97 HydrophobicContact CG-CD2 4.24Å; Y62-L97 HydrophobicContact CG-CG 4.28Å; Y62-I98 HydrophobicContact CE1-CB 4.32Å; Y62-I98 VanDerWaalsContact OH-CB 3.29Å; Y62-I98 WeakPolarHBondContact OH-CB 3.41Å; Y62-I98 VanDerWaalsContact OH-CG1 3.32Å; Y62-I98 WeakPolarHBondContact OH-CG1 3.33Å
63C98Very high97.9Very high0 Ų044.4 Ų44.40%021%0.206CC..Hα-helixtrans-61.6-44.7179.4-67.90000112L59 Y60 K65 L66 N67 Y101 Y105 F160L59-C63 PolarHBondContact O-N 3.01Å; L59-C63 PolarHBondContact O-SG 3.41Å; Y60-C63 WeakPolarHBondContact O-CB 3.01Å; Y60-C63 PolarHBondContact O-N 2.76Å; C63-K65 VanDerWaalsContact C-N 3.34Å; C63-K65 PolarHBondContact O-N 3.26Å; C63-L66 PolarHBondContact O-N 2.7Å; C63-N67 VanDerWaalsContact O-CB 3.29Å; C63-N67 WeakPolarHBondContact O-CB 3.36Å; C63-N67 PolarHBondContact O-N 3.41Å; C63-N67 PolarHBondContact O-ND2 3.11Å; C63-Y101 HydrophobicContact CB-CD2 4.08Å; C63-Y105 HydrophobicContact CB-CD2 4.31Å; C63-Y105 HydrophobicContact CB-CE2 3.62Å; C63-F160 HydrophobicContact CB-CD1 4.34Å; C63-F160 HydrophobicContact CB-CE1 3.64Å; C63-F160 HydrophobicContact CB-CZ 4.44Å
64C97.6Very high97.7Very high49 Ų4949.5 Ų49.533%0.33124%0.238SC..Hα-helixtrans-58.4-44.9173.7-610000111.5Y60 Y62 K68Y60-C64 VanDerWaalsContact CZ-SG 3.56Å; Y60-C64 PolarHBondContact O-N 2.78Å; Y60-C64 PolarHBondContact O-SG 3.15Å; Y62-C64 PolarHBondContact O-N 3.02Å; C64-K68 WeakPolarHBondContact O-CB 3.39Å; C64-K68 PolarHBondContact O-N 3.11Å
65K98.1Very high97.6Very high61 Ų6149.9 Ų49.927%0.26524%0.239SC..Hα-helixtrans-63.4-43.7179-175.5169.7-171.5166.30112.4E41 R61 Y62 C63 K69E41-K65 IonicContact OE1-NZ 2.65Å; E41-K65 PolarHBondContact OE1-NZ 3.44Å; E41-K65 IonicContact OE2-NZ 2.65Å; E41-K65 PolarHBondContact OE2-NZ 3.34Å; R61-K65 VanDerWaalsContact O-CB 3.25Å; R61-K65 WeakPolarHBondContact O-CB 3.18Å; R61-K65 PolarHBondContact O-N 3.5Å; Y62-K65 WeakPolarHBondContact O-CB 3.32Å; Y62-K65 PolarHBondContact O-N 2.89Å; C63-K65 VanDerWaalsContact C-N 3.34Å; C63-K65 PolarHBondContact O-N 3.26Å; K65-K69 WeakPolarHBondContact O-CG 3.45Å; K65-K69 PolarHBondContact O-N 3.19Å; K65-K69 VanDerWaalsContact O-N 3.11Å
66L98.3Very high97.4Very high0 Ų053.1 Ų53.10%026%0.26CS..Hα-helixtrans-70-43.6178.3179.951000111.6L18 F36 Y62 C63 K68 K69 L70 I80 Y101L18-L66 HydrophobicContact CD1-CD1 3.77Å; L18-L66 HydrophobicContact CD1-CD2 4.39Å; L18-L66 HydrophobicContact CD2-CD1 4.48Å; L18-L66 HydrophobicContact CD2-CD2 4.03Å; F36-L66 HydrophobicContact CE1-CD1 4.3Å; F36-L66 HydrophobicContact CZ-CD1 4.11Å; Y62-L66 HydrophobicContact CE1-CB 4.39Å; Y62-L66 HydrophobicContact CE1-CD2 3.82Å; Y62-L66 WeakPolarHBondContact O-CB 3.37Å; Y62-L66 PolarHBondContact O-N 3.4Å; C63-L66 PolarHBondContact O-N 2.7Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; L66-K69 PolarHBondContact O-N 2.91Å; L66-K69 VanDerWaalsContact O-N 3.11Å; L66-L70 HydrophobicContact CD1-CD1 3.89Å; L66-L70 HydrophobicContact CD1-CG 4.1Å; L66-L70 HydrophobicContact CG-CD1 3.88Å; L66-L70 PolarHBondContact O-N 3.31Å; L66-I80 HydrophobicContact CD1-CG2 4.2Å; L66-Y101 HydrophobicContact CB-CD2 4.44Å; L66-Y101 HydrophobicContact CB-CE2 4.28Å; L66-Y101 HydrophobicContact CD2-CD1 3.48Å; L66-Y101 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y101 HydrophobicContact CD2-CD2 3.89Å; L66-Y101 HydrophobicContact CD2-CE1 3.66Å; L66-Y101 HydrophobicContact CD2-CE2 4.05Å; L66-Y101 HydrophobicContact CD2-CG 3.61Å; L66-Y101 HydrophobicContact CG-CD1 4.4Å; L66-Y101 HydrophobicContact CG-CD2 4.36Å; L66-Y101 HydrophobicContact CG-CE1 4.14Å; L66-Y101 HydrophobicContact CG-CE2 4.09Å
67N97.6Very high97.1Very high28 Ų2864.3 Ų64.315%0.1530%0.301CS..Hα-helixtrans-57.7-43.8172.8-79.5-27.5000112C63 K69 L70 K71 Y101 Y105C63-N67 VanDerWaalsContact O-CB 3.29Å; C63-N67 WeakPolarHBondContact O-CB 3.36Å; C63-N67 PolarHBondContact O-N 3.41Å; C63-N67 PolarHBondContact O-ND2 3.11Å; N67-K69 VanDerWaalsContact C-N 3.31Å; N67-K69 PolarHBondContact O-N 2.88Å; N67-L70 PolarHBondContact O-N 2.88Å; N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 WeakPolarHBondContact O-CG 3.38Å; N67-K71 PolarHBondContact O-N 2.85Å; N67-Y101 VanDerWaalsContact OD1-CE2 3.32Å; N67-Y101 WeakPolarHBondContact OD1-CE2 3.45Å; N67-Y101 PolarHBondContact OD1-OH 3.48Å; N67-Y105 WeakPolarHBondContact ND2-CE1 3.3Å
68K97.9Very high97Very high163 Ų16366.9 Ų66.971%0.70931%0.312SS*.Hα-helixtrans-61.1-38.1175.5-174171.3-176.9171.50112.3C64 L66 S72C64-K68 WeakPolarHBondContact O-CB 3.39Å; C64-K68 PolarHBondContact O-N 3.11Å; L66-K68 VanDerWaalsContact C-N 3.33Å; L66-K68 PolarHBondContact O-N 2.86Å; K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.85Å
69K97.9Very high97Very high33 Ų3368.6 Ų68.614%0.14332%0.318CS..Hα-helixtrans-69.1-44.5175-72.5175.7178.9-66.50112.2F36 K65 L66 N67 K71 S72 L75 I80F36-K69 HydrophobicContact CB-CD 4.49Å; F36-K69 HydrophobicContact CD1-CD 3.8Å; F36-K69 HydrophobicContact CD2-CD 4.23Å; F36-K69 HydrophobicContact CE1-CD 4.02Å; F36-K69 HydrophobicContact CE2-CD 4.42Å; F36-K69 HydrophobicContact CG-CD 3.91Å; F36-K69 HydrophobicContact CZ-CD 4.31Å; K65-K69 WeakPolarHBondContact O-CG 3.45Å; K65-K69 PolarHBondContact O-N 3.19Å; K65-K69 VanDerWaalsContact O-N 3.11Å; L66-K69 PolarHBondContact O-N 2.91Å; L66-K69 VanDerWaalsContact O-N 3.11Å; N67-K69 VanDerWaalsContact C-N 3.31Å; N67-K69 PolarHBondContact O-N 2.88Å; K69-K71 VanDerWaalsContact C-N 3.33Å; K69-K71 PolarHBondContact O-N 2.8Å; K69-S72 WeakPolarHBondContact O-CB 3.3Å; K69-S72 PolarHBondContact O-N 3.07Å; K69-L75 HydrophobicContact CB-CD1 4.06Å; K69-L75 HydrophobicContact CG-CD1 4.21Å; K69-I80 HydrophobicContact CB-CD1 3.98Å; K69-I80 WeakPolarHBondContact O-CD1 3.38Å
70L97.1Very high96.9Very high30 Ų3068.4 Ų68.416%0.15732%0.316CS..Hα-helixtrans-65.3-34.2179.9-75.8162.2000112.8I14 R17 L66 N67 I80 Y101I14-L70 HydrophobicContact CD1-CD1 4.48Å; I14-L70 HydrophobicContact CD1-CD2 4.35Å; R17-L70 HydrophobicContact CG-CD2 3.95Å; R17-L70 PolarHBondContact NH2-O 2.69Å; L66-L70 HydrophobicContact CD1-CD1 3.89Å; L66-L70 HydrophobicContact CD1-CG 4.1Å; L66-L70 HydrophobicContact CG-CD1 3.88Å; L66-L70 PolarHBondContact O-N 3.31Å; N67-L70 PolarHBondContact O-N 2.88Å; L70-I80 HydrophobicContact CD2-CD1 3.93Å; L70-I80 HydrophobicContact CG-CD1 4.14Å; L70-Y101 HydrophobicContact CD1-CE1 4.2Å; L70-Y101 WeakPolarHBondContact CD1-OH 3.49Å
71K96.8Very high96.9Very high177 Ų17766.1 Ų66.177%0.7731%0.308SS*.THydrogen-bonded Turntrans-84.7-7.8175.7-65.7179.5178.9-174.70114.3N67 K69 F73N67-K71 WeakPolarHBondContact O-CB 3.41Å; N67-K71 WeakPolarHBondContact O-CG 3.38Å; N67-K71 PolarHBondContact O-N 2.85Å; K69-K71 VanDerWaalsContact C-N 3.33Å; K69-K71 PolarHBondContact O-N 2.8Å; K71-F73 PolarHBondContact O-N 3.18Å
72S97.3Very high96.8Very high39 Ų3963.4 Ų63.427%0.27330%0.297SS..  trans-75.3121.9-174.1-172.30000112.1K68 K69 T74 L75 T76K68-S72 WeakPolarHBondContact O-CB 3.43Å; K68-S72 PolarHBondContact O-N 2.85Å; K69-S72 WeakPolarHBondContact O-CB 3.3Å; K69-S72 PolarHBondContact O-N 3.07Å; S72-T74 VanDerWaalsContact C-N 3.26Å; S72-T74 PolarHBondContact O-N 3.36Å; S72-T74 PolarHBondContact OG-OG1 3.05Å; S72-L75 CarbonylContact O-C 3.51Å; S72-L75 WeakPolarHBondContact O-CA 3.41Å; S72-L75 PolarHBondContact O-N 3.42Å; S72-T76 PolarHBondContact O-N 3.3Å; S72-T76 VanDerWaalsContact O-N 3.12Å; S72-T76 PolarHBondContact O-OG1 2.98Å
73F95.5Very high96.7Very high189 Ų18964.8 Ų64.883%0.82930%0.303SS*.G310 helixtrans-55.5-38.5-179.2-170-95.9000113.3K71 L75 T76K71-F73 PolarHBondContact O-N 3.18Å; F73-L75 PolarHBondContact O-N 3.19Å; F73-T76 WeakPolarHBondContact CA-OG1 3.49Å; F73-T76 PolarHBondContact O-N 3.16Å; F73-T76 PolarHBondContact O-OG1 3.3Å
74T95.2Very high96.6Very high109 Ų10964.8 Ų64.867%0.66930%0.303SS*.G310 helixtrans-67.4-13.7177.359.20000113.6S72S72-T74 VanDerWaalsContact C-N 3.26Å; S72-T74 PolarHBondContact O-N 3.36Å; S72-T74 PolarHBondContact OG-OG1 3.05Å
75L96.1Very high96.4Very high16 Ų1664.1 Ų64.18%0.08430%0.299CS..G310 helixtrans-114.1-2.5179.6-57-175.6000113.1R17 H34 K69 S72 F73 R77 K78R17-L75 PolarHBondContact NH1-O 3.09Å; R17-L75 PolarHBondContact NH2-O 3.1Å; H34-L75 HydrophobicContact CB-CD2 3.85Å; K69-L75 HydrophobicContact CB-CD1 4.06Å; K69-L75 HydrophobicContact CG-CD1 4.21Å; S72-L75 CarbonylContact O-C 3.51Å; S72-L75 WeakPolarHBondContact O-CA 3.41Å; S72-L75 PolarHBondContact O-N 3.42Å; F73-L75 PolarHBondContact O-N 3.19Å; L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 2.84Å; L75-K78 HydrophobicContact CD2-CD 4.23Å; L75-K78 PolarHBondContact O-N 3.25Å
76T93.4Very high96.1Very high77 Ų7766.2 Ų66.247%0.47231%0.308SS..THydrogen-bonded Turntrans-55-42.9-173-60.30000113.3S72 F73S72-T76 PolarHBondContact O-N 3.3Å; S72-T76 VanDerWaalsContact O-N 3.12Å; S72-T76 PolarHBondContact O-OG1 2.98Å; F73-T76 WeakPolarHBondContact CA-OG1 3.49Å; F73-T76 PolarHBondContact O-N 3.16Å; F73-T76 PolarHBondContact O-OG1 3.3Å
77R92.7Very high95.9Very high243 Ų24368.7 Ų68.792%0.91732%0.321SS*.THydrogen-bonded Turntrans-89.88.4179.8-63.8-174.9179.51760114.3L75L75-R77 VanDerWaalsContact C-N 3.32Å; L75-R77 PolarHBondContact O-N 2.84Å
78K96.3Very high95.9Very high54 Ų5470.8 Ų70.824%0.23533%0.33CS..SBendtrans-104149.3-179.3-58.4-160.4-178-152.40112R17 T30 V31 N32 H34 L75R17-K78 PolarHBondContact NH1-O 2.94Å; T30-K78 PolarHBondContact O-NZ 2.85Å; V31-K78 WeakPolarHBondContact O-CD 3.45Å; V31-K78 WeakPolarHBondContact O-CE 3.3Å; V31-K78 PolarHBondContact O-NZ 3.4Å; N32-K78 CarbonylContact O-C 3.5Å; N32-K78 WeakPolarHBondContact O-CA 3.49Å; N32-K78 WeakPolarHBondContact O-CB 3.13Å; H34-K78 HydrophobicContact CB-CD 4.36Å; L75-K78 HydrophobicContact CD2-CD 4.23Å; L75-K78 PolarHBondContact O-N 3.25Å
79R96.6Very high95.8Very high62 Ų6269.3 Ų69.323%0.23432%0.32CS..EExtended strand (participates in β ladder)trans-68.7131.5158.9-65.6-179.3176.3126.6-0.4108.5D16 Y19 N32 T33 H34D16-R79 IonicContact OD1-CZ 3.88Å; D16-R79 IonicContact OD1-NE 3.1Å; D16-R79 IonicContact OD1-NH2 2.68Å; D16-R79 PolarHBondContact OD1-NH2 3.13Å; D16-R79 VanDerWaalsContact OD1-NH2 3.1Å; Y19-R79 HydrophobicContact CD2-CB 4.28Å; Y19-R79 HydrophobicContact CE2-CB 4.06Å; Y19-R79 HydrophobicContact CE2-CG 3.89Å; N32-R79 PolarHBondContact O-N 3.1Å; T33-R79 CarbonylContact C-O 3.41Å; T33-R79 WeakPolarHBondContact CA-O 3.21Å; T33-R79 HydrophobicContact CG2-CB 4.26Å; H34-R79 PolarHBondContact N-O 2.96Å
80I97.9Very high95.8Very high0 Ų070.9 Ų70.90%033%0.327CS..EExtended strand (participates in β ladder)trans-99121172.1-70.6165.9000107.6R17 L18 Y19 F36 L66 K69 L70R17-I80 VanDerWaalsContact NH1-CD1 3.32Å; R17-I80 PolarHBondContact O-N 3.14Å; L18-I80 WeakPolarHBondContact CA-O 3.4Å; L18-I80 HydrophobicContact CD1-CB 4.36Å; L18-I80 HydrophobicContact CD1-CG2 3.95Å; Y19-I80 PolarHBondContact N-O 2.97Å; F36-I80 HydrophobicContact CD1-CG2 4.02Å; F36-I80 HydrophobicContact CE1-CG2 3.61Å; L66-I80 HydrophobicContact CD1-CG2 4.2Å; K69-I80 HydrophobicContact CB-CD1 3.98Å; K69-I80 WeakPolarHBondContact O-CD1 3.38Å; L70-I80 HydrophobicContact CD2-CD1 3.93Å; L70-I80 HydrophobicContact CG-CD1 4.14Å
81V97.1Very high95.8Very high1 Ų169.6 Ų69.61%0.00632%0.32CS..EExtended strand (participates in β ladder)trans-115.5111.2178.4-172.80000108.6Y19 A21 T33 H34 Y35 F36 Y83Y19-V81 HydrophobicContact CD2-CG2 4.48Å; Y19-V81 WeakPolarHBondContact O-CA 3.38Å; A21-V81 HydrophobicContact CB-CG1 3.93Å; T33-V81 HydrophobicContact CG2-CG2 3.53Å; H34-V81 PolarHBondContact O-N 3.2Å; Y35-V81 WeakPolarHBondContact CA-O 3.25Å; Y35-V81 HydrophobicContact CD1-CB 3.55Å; Y35-V81 HydrophobicContact CD1-CG1 3.74Å; Y35-V81 HydrophobicContact CD1-CG2 4.15Å; Y35-V81 HydrophobicContact CE1-CB 3.71Å; Y35-V81 HydrophobicContact CE1-CG1 3.73Å; Y35-V81 HydrophobicContact CE1-CG2 3.86Å; Y35-V81 HydrophobicContact CG-CB 4.35Å; F36-V81 WeakPolarHBondContact CD1-O 3.4Å; F36-V81 PolarHBondContact N-O 3.25Å; V81-Y83 PolarHBondContact O-N 3.14Å
82H97.5Very high95.8Very high0 Ų061.2 Ų61.20%028%0.283CS..EExtended strand (participates in β ladder)trans-76118.5161.7-179.8-155.8000107Y19 F20 A21 F36 T38 Y62 A94 I98Y19-H82 PolarHBondContact O-N 3.28Å; F20-H82 CarbonylContact C-O 3.59Å; F20-H82 VanDerWaalsContact CA-O 3.26Å; F20-H82 WeakPolarHBondContact CA-O 3.5Å; F20-H82 HydrophobicContact CD2-CB 4.19Å; F20-H82 AromaticContact CD2-CG 3.98Å; F20-H82 AromaticContact CD2-ND1 3.62Å; F20-H82 WeakPolarHBondContact CD2-O 3.21Å; F20-H82 AromaticContact CE2-ND1 3.75Å; A21-H82 PolarHBondContact N-O 2.93Å; F36-H82 HydrophobicContact CD1-CB 4.42Å; F36-H82 HydrophobicContact CE1-CB 3.65Å; F36-H82 HydrophobicContact CE2-CB 4.3Å; F36-H82 AromaticContact CE2-CD2 3.88Å; F36-H82 HydrophobicContact CZ-CB 3.59Å; F36-H82 AromaticContact CZ-CG 3.87Å; F36-H82 CarbonylContact O-C 3.58Å; F36-H82 WeakPolarHBondContact O-CA 3.38Å; T38-H82 PolarHBondContact N-NE2 3.01Å; T38-H82 PolarHBondContact OG1-NE2 2.66Å; Y62-H82 AromaticContact CE2-CE1 3.52Å; Y62-H82 AromaticContact CE2-ND1 3.64Å; Y62-H82 AromaticContact CZ-CE1 3.92Å; Y62-H82 AromaticContact CZ-ND1 3.62Å; Y62-H82 PolarHBondContact OH-ND1 2.86Å; H82-A94 VanDerWaalsContact CE1-C 3.44Å; H82-A94 WeakPolarHBondContact CE1-CA 3.33Å; H82-A94 WeakPolarHBondContact CE1-CB 3.08Å; H82-A94 PolarHBondContact CE1-O 3.18Å; H82-I98 HydrophobicContact CB-CD1 3.98Å
83Y95.6Very high95.9Very high29 Ų2959.9 Ų59.911%0.11427%0.274CS..EExtended strand (participates in β ladder)trans-115153.1173.781.4-87.2000111.4A21 L23 P27 Y35 F36 C37 V81A21-Y83 CarbonylContact O-C 3.57Å; A21-Y83 WeakPolarHBondContact O-CA 3.49Å; L23-Y83 HydrophobicContact CB-CD2 4.17Å; L23-Y83 HydrophobicContact CD1-CD2 4.09Å; L23-Y83 HydrophobicContact CD1-CG 3.83Å; L23-Y83 HydrophobicContact CG-CD2 4.46Å; L23-Y83 HydrophobicContact CG-CG 4.46Å; P27-Y83 HydrophobicContact CG-CD1 3.81Å; P27-Y83 HydrophobicContact CG-CE1 3.82Å; P27-Y83 HydrophobicContact CG-CG 4.24Å; Y35-Y83 HydrophobicContact CD1-CD1 4.3Å; F36-Y83 VanDerWaalsContact O-CD1 3.23Å; F36-Y83 WeakPolarHBondContact O-CD1 3.42Å; F36-Y83 PolarHBondContact O-N 3.48Å; C37-Y83 WeakPolarHBondContact CA-O 3.43Å; C37-Y83 HydrophobicContact CB-CD1 3.92Å; C37-Y83 HydrophobicContact CB-CD2 4.07Å; C37-Y83 HydrophobicContact CB-CE1 3.47Å; C37-Y83 VanDerWaalsContact CB-CE1 3.47Å; C37-Y83 HydrophobicContact CB-CE2 3.63Å; C37-Y83 HydrophobicContact CB-CG 4.18Å; C37-Y83 WeakPolarHBondContact CB-O 3.03Å; C37-Y83 PolarHBondContact SG-O 2.77Å; V81-Y83 PolarHBondContact O-N 3.14Å
84T95.6Very high96Very high0 Ų051 Ų510%024%0.235CC..EExtended strand (participates in β ladder)trans-130.4159.8173.5-173.40000109.6F20 A21 L23 D39 R91 A94F20-T84 HydrophobicContact CE2-CG2 3.91Å; F20-T84 HydrophobicContact CZ-CG2 3.6Å; A21-T84 PolarHBondContact O-N 3.23Å; L23-T84 PolarHBondContact N-O 3.12Å; D39-T84 VanDerWaalsContact CG-OG1 3.32Å; D39-T84 WeakPolarHBondContact OD1-CA 3.22Å; D39-T84 WeakPolarHBondContact OD1-CB 3.44Å; D39-T84 PolarHBondContact OD1-OG1 2.93Å; D39-T84 PolarHBondContact OD2-OG1 3.34Å; T84-R91 HydrophobicContact CG2-CB 4.44Å; T84-R91 HydrophobicContact CG2-CG 3.96Å; T84-A94 HydrophobicContact CG2-CB 4.19Å
85S93.6Very high96.1Very high35 Ų3545.8 Ų45.825%0.24520%0.203CC..  trans-72.1176.9176.560.80000112.5T22 D39 D87 K90 R91T22-S85 WeakPolarHBondContact CG2-O 3.39Å; D39-S85 WeakPolarHBondContact OD2-CB 3.31Å; D39-S85 PolarHBondContact OD2-N 3.3Å; D39-S85 PolarHBondContact OD2-OG 3.09Å; S85-D87 VanDerWaalsContact C-N 3.28Å; S85-D87 PolarHBondContact O-N 3.03Å; S85-K90 WeakPolarHBondContact OG-CD 3.41Å; S85-R91 WeakPolarHBondContact O-CG 3.46Å
86F92.3Very high96.3Very high105 Ų10545.3 Ų45.346%0.46120%0.201SC..SBendtrans-79.8-0.7174-88.9-102.4000114.2T22 L23 R24 Q88T22-F86 HydrophobicContact CG2-CD1 4.09Å; T22-F86 HydrophobicContact CG2-CD2 3.67Å; T22-F86 HydrophobicContact CG2-CE1 4.1Å; T22-F86 HydrophobicContact CG2-CE2 3.68Å; T22-F86 HydrophobicContact CG2-CG 3.88Å; T22-F86 HydrophobicContact CG2-CZ 3.9Å; L23-F86 VanDerWaalsContact C-CD2 3.49Å; R24-F86 HydrophobicContact CB-CD2 4.23Å; R24-F86 HydrophobicContact CB-CE2 4.24Å; R24-F86 HydrophobicContact CG-CD2 3.51Å; R24-F86 HydrophobicContact CG-CE2 3.33Å; R24-F86 HydrophobicContact CG-CG 4.29Å; R24-F86 HydrophobicContact CG-CZ 3.99Å; F86-Q88 PolarHBondContact O-N 3.45Å
87D94.9Very high96.5Very high53 Ų5341.8 Ų41.828%0.28318%0.179SC..  trans-65.8120.1172.7178.3-61.2000109.7S85 R89 K90 R91S85-D87 VanDerWaalsContact C-N 3.28Å; S85-D87 PolarHBondContact O-N 3.03Å; D87-R89 PolarHBondContact O-N 3.14Å; D87-R89 WeakPolarHBondContact OD1-CA 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.44Å; D87-R89 PolarHBondContact OD1-N 2.86Å; D87-R89 IonicContact OD1-NE 2.81Å; D87-R89 PolarHBondContact OD1-NE 2.9Å; D87-R89 IonicContact OD2-CZ 3.14Å; D87-R89 IonicContact OD2-NE 3.01Å; D87-R89 PolarHBondContact OD2-NE 3.4Å; D87-R89 IonicContact OD2-NH2 3.6Å; D87-R89 PolarHBondContact OD2-NH2 2.87Å; D87-K90 HydrophobicContact CB-CB 4.13Å; D87-K90 HydrophobicContact CB-CD 4.07Å; D87-K90 HydrophobicContact CB-CG 4.24Å; D87-K90 PolarHBondContact O-N 3.42Å; D87-K90 VanDerWaalsContact O-N 3.15Å; D87-K90 PolarHBondContact OD1-N 3.31Å; D87-K90 VanDerWaalsContact OD1-N 3.1Å; D87-R91 WeakPolarHBondContact O-CG 3.34Å; D87-R91 PolarHBondContact O-N 3.14Å
88Q95.9Very high96.8Very high72 Ų7230.3 Ų30.334%0.33614%0.136SC..Hα-helixtrans-62.2-28.1-171.7-65.3-66.60.700114.1F86 A92 L126F86-Q88 PolarHBondContact O-N 3.45Å; Q88-A92 WeakPolarHBondContact O-CB 3.25Å; Q88-A92 PolarHBondContact O-N 2.84Å; Q88-A92 VanDerWaalsContact O-N 3.12Å; Q88-L126 HydrophobicContact CB-CB 3.96Å; Q88-L126 HydrophobicContact CB-CD2 4.22Å
89R97.3Very high96.9Very high132 Ų13227.7 Ų27.750%0.49812%0.124SC..Hα-helixtrans-75.4-43.8177.8-56.5167.7-68.1-173.8-2.2110.3F51 D87 A92 N93 L126F51-R89 HydrophobicContact CB-CB 3.97Å; F51-R89 HydrophobicContact CB-CG 3.96Å; F51-R89 HydrophobicContact CD1-CB 4.5Å; F51-R89 HydrophobicContact CD1-CG 3.93Å; F51-R89 HydrophobicContact CD2-CB 3.43Å; F51-R89 VanDerWaalsContact CD2-CB 3.43Å; F51-R89 HydrophobicContact CD2-CG 3.77Å; F51-R89 HydrophobicContact CE1-CG 4.37Å; F51-R89 HydrophobicContact CE2-CB 4.02Å; F51-R89 HydrophobicContact CE2-CG 4.23Å; F51-R89 HydrophobicContact CG-CB 3.71Å; F51-R89 HydrophobicContact CG-CG 3.6Å; D87-R89 PolarHBondContact O-N 3.14Å; D87-R89 WeakPolarHBondContact OD1-CA 3.24Å; D87-R89 WeakPolarHBondContact OD1-CB 3.44Å; D87-R89 PolarHBondContact OD1-N 2.86Å; D87-R89 IonicContact OD1-NE 2.81Å; D87-R89 PolarHBondContact OD1-NE 2.9Å; D87-R89 IonicContact OD2-CZ 3.14Å; D87-R89 IonicContact OD2-NE 3.01Å; D87-R89 PolarHBondContact OD2-NE 3.4Å; D87-R89 IonicContact OD2-NH2 3.6Å; D87-R89 PolarHBondContact OD2-NH2 2.87Å; R89-A92 PolarHBondContact O-N 3.49Å; R89-N93 PolarHBondContact O-N 3.11Å; R89-N93 VanDerWaalsContact O-N 3.16Å; R89-N93 PolarHBondContact O-ND2 3.03Å; R89-L126 HydrophobicContact CG-CD2 3.92Å
90K97.3Very high97Very high65 Ų6524.8 Ų24.828%0.28311%0.113SC..Hα-helixtrans-62.2-44.3173.7-72.7177.2154.9-165.60110.9D39 D40 S85 D87 A92 N93 A94D39-K90 HydrophobicContact CB-CD 3.85Å; D39-K90 HydrophobicContact CB-CG 4.38Å; D39-K90 VanDerWaalsContact O-CE 3.24Å; D39-K90 WeakPolarHBondContact O-CE 3.49Å; D40-K90 IonicContact OD1-NZ 3.82Å; D40-K90 PolarHBondContact OD1-NZ 2.83Å; S85-K90 WeakPolarHBondContact OG-CD 3.41Å; D87-K90 HydrophobicContact CB-CB 4.13Å; D87-K90 HydrophobicContact CB-CD 4.07Å; D87-K90 HydrophobicContact CB-CG 4.24Å; D87-K90 PolarHBondContact O-N 3.42Å; D87-K90 VanDerWaalsContact O-N 3.15Å; D87-K90 PolarHBondContact OD1-N 3.31Å; D87-K90 VanDerWaalsContact OD1-N 3.1Å; K90-A92 PolarHBondContact O-N 2.97Å; K90-N93 PolarHBondContact O-N 3.36Å; K90-A94 VanDerWaalsContact O-CB 3.31Å; K90-A94 WeakPolarHBondContact O-CB 3.17Å; K90-A94 PolarHBondContact O-N 2.89Å
91R96.3Very high97Very high4 Ų425.1 Ų25.12%0.01512%0.115CC..Hα-helixtrans-55-51.4174.5-70.7-17972.8-120.5-3113.3T22 T84 S85 D87 A94 A95 A123 A124 Y125T22-R91 HydrophobicContact CG2-CG 4.05Å; T22-R91 PolarHBondContact OG1-NE 3.28Å; T22-R91 VanDerWaalsContact OG1-NE 3.07Å; T84-R91 HydrophobicContact CG2-CB 4.44Å; T84-R91 HydrophobicContact CG2-CG 3.96Å; S85-R91 WeakPolarHBondContact O-CG 3.46Å; D87-R91 WeakPolarHBondContact O-CG 3.34Å; D87-R91 PolarHBondContact O-N 3.14Å; R91-A94 PolarHBondContact O-N 3.23Å; R91-A95 VanDerWaalsContact O-CB 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.49Å; R91-A95 PolarHBondContact O-N 3.33Å; R91-A123 PolarHBondContact NH1-O 2.69Å; R91-A123 PolarHBondContact NH2-O 3.27Å; R91-A124 PolarHBondContact NH1-O 3.26Å; R91-Y125 HydrophobicContact CB-CD1 4.2Å; R91-Y125 HydrophobicContact CB-CE1 4.31Å
92A97.9Very high97.1Very high0 Ų025.1 Ų25.10%011%0.114CC..Hα-helixtrans-63-43.5-178.400000112.1F51 Q88 R89 K90 A95 V96 L126 F128 V142F51-A92 HydrophobicContact CE2-CB 4.05Å; Q88-A92 WeakPolarHBondContact O-CB 3.25Å; Q88-A92 PolarHBondContact O-N 2.84Å; Q88-A92 VanDerWaalsContact O-N 3.12Å; R89-A92 PolarHBondContact O-N 3.49Å; K90-A92 PolarHBondContact O-N 2.97Å; A92-A95 PolarHBondContact O-N 2.82Å; A92-V96 PolarHBondContact O-N 2.84Å; A92-L126 WeakPolarHBondContact CB-O 3.49Å; A92-F128 HydrophobicContact CB-CE1 3.98Å; A92-F128 HydrophobicContact CB-CZ 3.89Å; A92-V142 HydrophobicContact CB-CG2 4.44Å
93N98.7Very high97.1Very high12 Ų1225.2 Ų25.26%0.06412%0.115CC..Hα-helixtrans-63.4-46.9175-78.3-57.3000112.7F51 G52 P53 L54 R89 K90 A95 V96 L97F51-N93 PolarHBondContact O-ND2 3.27Å; G52-N93 WeakPolarHBondContact CA-OD1 3.21Å; P53-N93 WeakPolarHBondContact CA-OD1 3.32Å; L54-N93 HydrophobicContact CD1-CB 3.87Å; L54-N93 HydrophobicContact CG-CB 3.93Å; L54-N93 PolarHBondContact N-OD1 3.37Å; L54-N93 VanDerWaalsContact N-OD1 3.16Å; R89-N93 PolarHBondContact O-N 3.11Å; R89-N93 VanDerWaalsContact O-N 3.16Å; R89-N93 PolarHBondContact O-ND2 3.03Å; K90-N93 PolarHBondContact O-N 3.36Å; N93-A95 VanDerWaalsContact C-N 3.26Å; N93-A95 PolarHBondContact O-N 3.08Å; N93-V96 PolarHBondContact O-N 3.15Å; N93-V96 VanDerWaalsContact O-N 3.17Å; N93-L97 WeakPolarHBondContact O-CG 3.42Å; N93-L97 PolarHBondContact O-N 2.65Å
94A98.3Very high97.1Very high2 Ų224.2 Ų24.22%0.01711%0.112CC..Hα-helixtrans-61.6-35.6177.900000112F20 H82 T84 K90 R91 L97 I98F20-A94 HydrophobicContact CE2-CB 3.83Å; F20-A94 HydrophobicContact CZ-CB 3.85Å; H82-A94 VanDerWaalsContact CE1-C 3.44Å; H82-A94 WeakPolarHBondContact CE1-CA 3.33Å; H82-A94 WeakPolarHBondContact CE1-CB 3.08Å; H82-A94 PolarHBondContact CE1-O 3.18Å; T84-A94 HydrophobicContact CG2-CB 4.19Å; K90-A94 VanDerWaalsContact O-CB 3.31Å; K90-A94 WeakPolarHBondContact O-CB 3.17Å; K90-A94 PolarHBondContact O-N 2.89Å; R91-A94 PolarHBondContact O-N 3.23Å; A94-L97 PolarHBondContact O-N 3.13Å; A94-I98 PolarHBondContact O-N 3.2Å; A94-I98 VanDerWaalsContact O-N 3.12Å
95A97.9Very high97.2Very high0 Ų028 Ų280%013%0.127CC..Hα-helixtrans-65.8-41.4173.500000112.7F20 R91 A92 N93 G99 L117 Y125 V142F20-A95 HydrophobicContact CE1-CB 4.23Å; F20-A95 HydrophobicContact CZ-CB 4.41Å; R91-A95 VanDerWaalsContact O-CB 3.31Å; R91-A95 WeakPolarHBondContact O-CB 3.49Å; R91-A95 PolarHBondContact O-N 3.33Å; A92-A95 PolarHBondContact O-N 2.82Å; N93-A95 VanDerWaalsContact C-N 3.26Å; N93-A95 PolarHBondContact O-N 3.08Å; A95-G99 WeakPolarHBondContact O-CA 3.21Å; A95-G99 PolarHBondContact O-N 3.12Å; A95-L117 HydrophobicContact CB-CD1 4.29Å; A95-L117 WeakPolarHBondContact O-CD1 3.48Å; A95-Y125 HydrophobicContact CB-CD1 3.9Å; A95-Y125 HydrophobicContact CB-CE1 3.56Å; A95-Y125 HydrophobicContact CB-CE2 4.24Å; A95-Y125 HydrophobicContact CB-CG 4.39Å; A95-V142 HydrophobicContact CB-CG1 4.22Å; A95-V142 HydrophobicContact CB-CG2 4.46Å
96V98.7Very high97.3Very high6 Ų628.8 Ų28.84%0.03613%0.128CC..Hα-helixtrans-63.3-41.2173.1172.80000111.4P53 A92 N93 G100 F128 V142 C145 I149P53-V96 HydrophobicContact CB-CG1 4.35Å; A92-V96 PolarHBondContact O-N 2.84Å; N93-V96 PolarHBondContact O-N 3.15Å; N93-V96 VanDerWaalsContact O-N 3.17Å; V96-G100 WeakPolarHBondContact O-CA 3.22Å; V96-G100 PolarHBondContact O-N 2.81Å; V96-F128 HydrophobicContact CG2-CE2 3.58Å; V96-F128 HydrophobicContact CG2-CZ 3.58Å; V96-V142 HydrophobicContact CG2-CB 4.31Å; V96-V142 HydrophobicContact CG2-CG1 3.94Å; V96-V142 HydrophobicContact CG2-CG2 4.18Å; V96-C145 HydrophobicContact CG1-CB 4.11Å; V96-C145 HydrophobicContact CG2-CB 3.92Å; V96-I149 HydrophobicContact CG1-CD1 4.46Å
97L98.8Very high97.5Very high3 Ų331 Ų312%0.01614%0.137CC..Hα-helixtrans-60.5-52.8178-69.6179.4000112.4F42 L54 L59 Y62 N93 A94 Y101F42-L97 HydrophobicContact CD2-CD1 3.92Å; L54-L97 HydrophobicContact CB-CD2 4.43Å; L54-L97 HydrophobicContact CD1-CD1 3.59Å; L54-L97 HydrophobicContact CD1-CD2 4.05Å; L54-L97 HydrophobicContact CD1-CG 3.86Å; L59-L97 HydrophobicContact CB-CD2 4.32Å; L59-L97 HydrophobicContact CD1-CD2 4.2Å; Y62-L97 HydrophobicContact CD1-CB 3.89Å; Y62-L97 HydrophobicContact CD2-CB 3.93Å; Y62-L97 HydrophobicContact CD2-CD1 3.74Å; Y62-L97 HydrophobicContact CD2-CG 4.36Å; Y62-L97 HydrophobicContact CE1-CB 4.11Å; Y62-L97 WeakPolarHBondContact CE1-O 3.48Å; Y62-L97 HydrophobicContact CE2-CB 4.11Å; Y62-L97 HydrophobicContact CE2-CD1 4.35Å; Y62-L97 HydrophobicContact CG-CB 3.82Å; Y62-L97 HydrophobicContact CG-CD1 4.07Å; Y62-L97 HydrophobicContact CG-CD2 4.24Å; Y62-L97 HydrophobicContact CG-CG 4.28Å; N93-L97 WeakPolarHBondContact O-CG 3.42Å; N93-L97 PolarHBondContact O-N 2.65Å; A94-L97 PolarHBondContact O-N 3.13Å; L97-Y101 PolarHBondContact O-N 3.3Å
98I98.6Very high97.6Very high1 Ų130.9 Ų30.91%0.00513%0.134CC..Hα-helixtrans-76.8-31.6-177.2-160.4170.4000112.9L13 L18 F20 Y62 H82 A94 Y101 A102 L117L13-I98 HydrophobicContact CD2-CD1 4.09Å; L13-I98 HydrophobicContact CG-CD1 4.25Å; L13-I98 HydrophobicContact CG-CG1 4.4Å; L18-I98 HydrophobicContact CD1-CD1 4.39Å; L18-I98 HydrophobicContact CG-CD1 4.47Å; F20-I98 HydrophobicContact CB-CD1 3.88Å; F20-I98 HydrophobicContact CB-CG2 4.2Å; F20-I98 HydrophobicContact CD1-CG2 4.32Å; F20-I98 HydrophobicContact CD2-CD1 4.36Å; F20-I98 HydrophobicContact CD2-CG2 3.9Å; F20-I98 HydrophobicContact CE2-CG2 4.33Å; F20-I98 HydrophobicContact CG-CD1 4.46Å; F20-I98 HydrophobicContact CG-CG2 3.89Å; Y62-I98 HydrophobicContact CE1-CB 4.32Å; Y62-I98 VanDerWaalsContact OH-CB 3.29Å; Y62-I98 WeakPolarHBondContact OH-CB 3.41Å; Y62-I98 VanDerWaalsContact OH-CG1 3.32Å; Y62-I98 WeakPolarHBondContact OH-CG1 3.33Å; H82-I98 HydrophobicContact CB-CD1 3.98Å; A94-I98 PolarHBondContact O-N 3.2Å; A94-I98 VanDerWaalsContact O-N 3.12Å; I98-Y101 PolarHBondContact O-N 2.94Å; I98-A102 PolarHBondContact O-N 3.39Å; I98-L117 HydrophobicContact CG2-CD2 3.56Å
99G98.4Very high97.7Very high0 Ų029.9 Ų29.90%013%0.133CC..Hα-helixtrans-65.5-42.3171.400000111.6A95 A102 V103A95-G99 WeakPolarHBondContact O-CA 3.21Å; A95-G99 PolarHBondContact O-N 3.12Å; G99-A102 WeakPolarHBondContact O-CB 3.32Å; G99-A102 PolarHBondContact O-N 3.45Å; G99-A102 VanDerWaalsContact O-N 3.14Å; G99-V103 WeakPolarHBondContact O-CG2 3.29Å; G99-V103 PolarHBondContact O-N 2.88Å
100G98.3Very high97.8Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-59.5-48.9173.400000110.6V96 A102 V103 I104V96-G100 WeakPolarHBondContact O-CA 3.22Å; V96-G100 PolarHBondContact O-N 2.81Å; G100-A102 VanDerWaalsContact C-N 3.27Å; G100-A102 PolarHBondContact O-N 3.28Å; G100-V103 PolarHBondContact O-N 3.2Å; G100-V103 VanDerWaalsContact O-N 3.1Å; G100-I104 WeakPolarHBondContact O-CB 3.42Å; G100-I104 WeakPolarHBondContact O-CD1 3.39Å; G100-I104 WeakPolarHBondContact O-CG1 3.26Å; G100-I104 PolarHBondContact O-N 2.95Å
101Y98.4Very high97.8Very high8 Ų824.1 Ų24.13%0.03111%0.113CC..Hα-helixtrans-54.5-41.5172.9-178.8-92000112.8L18 C63 L66 N67 L70 L97 I98 I104 Y105 L106L18-Y101 HydrophobicContact CD2-CD1 4.35Å; L18-Y101 HydrophobicContact CD2-CE1 4.13Å; C63-Y101 HydrophobicContact CB-CD2 4.08Å; L66-Y101 HydrophobicContact CB-CD2 4.44Å; L66-Y101 HydrophobicContact CB-CE2 4.28Å; L66-Y101 HydrophobicContact CD2-CD1 3.48Å; L66-Y101 VanDerWaalsContact CD2-CD1 3.48Å; L66-Y101 HydrophobicContact CD2-CD2 3.89Å; L66-Y101 HydrophobicContact CD2-CE1 3.66Å; L66-Y101 HydrophobicContact CD2-CE2 4.05Å; L66-Y101 HydrophobicContact CD2-CG 3.61Å; L66-Y101 HydrophobicContact CG-CD1 4.4Å; L66-Y101 HydrophobicContact CG-CD2 4.36Å; L66-Y101 HydrophobicContact CG-CE1 4.14Å; L66-Y101 HydrophobicContact CG-CE2 4.09Å; N67-Y101 VanDerWaalsContact OD1-CE2 3.32Å; N67-Y101 WeakPolarHBondContact OD1-CE2 3.45Å; N67-Y101 PolarHBondContact OD1-OH 3.48Å; L70-Y101 HydrophobicContact CD1-CE1 4.2Å; L70-Y101 WeakPolarHBondContact CD1-OH 3.49Å; L97-Y101 PolarHBondContact O-N 3.3Å; I98-Y101 PolarHBondContact O-N 2.94Å; Y101-I104 PolarHBondContact O-N 3.32Å; Y101-Y105 AromaticContact CD2-CD2 3.5Å; Y101-Y105 HydrophobicContact CD2-CD2 3.5Å; Y101-Y105 VanDerWaalsContact CD2-CD2 3.5Å; Y101-Y105 HydrophobicContact CD2-CE2 4.24Å; Y101-Y105 HydrophobicContact CD2-CG 4.12Å; Y101-Y105 AromaticContact CE2-CD2 3.45Å; Y101-Y105 HydrophobicContact CE2-CD2 3.45Å; Y101-Y105 VanDerWaalsContact CE2-CD2 3.45Å; Y101-Y105 HydrophobicContact CE2-CE2 4.21Å; Y101-Y105 AromaticContact CE2-CG 3.67Å; Y101-Y105 HydrophobicContact CE2-CG 3.67Å; Y101-Y105 HydrophobicContact CG-CD2 4.36Å; Y101-Y105 PolarHBondContact O-N 3.35Å; Y101-L106 HydrophobicContact CD1-CG 4.39Å; Y101-L106 HydrophobicContact CE1-CD1 4.41Å; Y101-L106 HydrophobicContact CE1-CD2 4.13Å; Y101-L106 HydrophobicContact CE1-CG 4.12Å; Y101-L106 PolarHBondContact O-N 2.9Å
102A98.2Very high97.8Very high0 Ų027.9 Ų27.90%013%0.131CC..Hα-helixtrans-66.1-36.817700000113.3L13 I98 G99 G100 L106 K107 K108 A113L13-A102 HydrophobicContact CD1-CB 4.4Å; I98-A102 PolarHBondContact O-N 3.39Å; G99-A102 WeakPolarHBondContact O-CB 3.32Å; G99-A102 PolarHBondContact O-N 3.45Å; G99-A102 VanDerWaalsContact O-N 3.14Å; G100-A102 VanDerWaalsContact C-N 3.27Å; G100-A102 PolarHBondContact O-N 3.28Å; A102-L106 HydrophobicContact CB-CD1 4.12Å; A102-L106 CarbonylContact O-C 3.58Å; A102-L106 VanDerWaalsContact O-C 3.27Å; A102-L106 WeakPolarHBondContact O-CA 3.44Å; A102-L106 VanDerWaalsContact O-CB 3.32Å; A102-L106 WeakPolarHBondContact O-CB 3.42Å; A102-L106 PolarHBondContact O-N 3.37Å; A102-K107 PolarHBondContact O-N 3.02Å; A102-K107 VanDerWaalsContact O-N 3.11Å; A102-K108 HydrophobicContact CB-CD 4.43Å; A102-K108 PolarHBondContact O-N 3.01Å; A102-K108 VanDerWaalsContact O-N 3.14Å; A102-A113 HydrophobicContact CB-CB 3.98Å
103V97.9Very high97.8Very high2 Ų227.9 Ų27.91%0.01213%0.131CC..Hα-helixtrans-67.9-44.9172.8170.50000111.4G99 G100 K107 P110 A113 L146 I149 R150 L153G99-V103 WeakPolarHBondContact O-CG2 3.29Å; G99-V103 PolarHBondContact O-N 2.88Å; G100-V103 PolarHBondContact O-N 3.2Å; G100-V103 VanDerWaalsContact O-N 3.1Å; V103-K107 WeakPolarHBondContact O-CA 3.45Å; V103-P110 HydrophobicContact CG2-CG 4.47Å; V103-A113 HydrophobicContact CG2-CB 4.14Å; V103-L146 HydrophobicContact CG2-CB 4.4Å; V103-I149 HydrophobicContact CG1-CG2 4.46Å; V103-R150 HydrophobicContact CG1-CB 3.87Å; V103-L153 HydrophobicContact CG1-CD1 4.19Å
104I96.4Very high97.7Very high8 Ų829.6 Ų29.64%0.04114%0.138CC..Hα-helixtrans-75.2-55.7-172.8-67.4152.9000112L59 G100 Y101 K107 I149 L153 F160L59-I104 HydrophobicContact CD1-CD1 4.48Å; L59-I104 HydrophobicContact CD2-CD1 4.19Å; L59-I104 HydrophobicContact CG-CD1 4.47Å; G100-I104 WeakPolarHBondContact O-CB 3.42Å; G100-I104 WeakPolarHBondContact O-CD1 3.39Å; G100-I104 WeakPolarHBondContact O-CG1 3.26Å; G100-I104 PolarHBondContact O-N 2.95Å; Y101-I104 PolarHBondContact O-N 3.32Å; I104-K107 WeakPolarHBondContact O-CD 3.45Å; I104-K107 WeakPolarHBondContact O-CE 3.41Å; I104-K107 PolarHBondContact O-NZ 2.97Å; I104-I149 HydrophobicContact CD1-CG2 4.06Å; I104-I149 HydrophobicContact CG1-CG2 4.11Å; I104-L153 HydrophobicContact CG1-CD1 3.7Å; I104-F160 HydrophobicContact CB-CE2 4.15Å; I104-F160 HydrophobicContact CB-CZ 4.48Å; I104-F160 HydrophobicContact CD1-CE2 3.42Å; I104-F160 VanDerWaalsContact CD1-CE2 3.42Å; I104-F160 HydrophobicContact CD1-CZ 3.32Å; I104-F160 HydrophobicContact CG1-CE2 3.72Å; I104-F160 HydrophobicContact CG1-CZ 4.11Å; I104-F160 HydrophobicContact CG2-CD2 3.6Å; I104-F160 HydrophobicContact CG2-CE2 3.32Å; I104-F160 HydrophobicContact CG2-CG 4.3Å; I104-F160 HydrophobicContact CG2-CZ 3.83Å
105Y96.4Very high97.5Very high81 Ų8136.6 Ų36.632%0.31816%0.164SC..THydrogen-bonded Turntrans-98.6-36.3-170.2-75.2-82.7000112.8C63 N67 Y101 K107 F160C63-Y105 HydrophobicContact CB-CD2 4.31Å; C63-Y105 HydrophobicContact CB-CE2 3.62Å; N67-Y105 WeakPolarHBondContact ND2-CE1 3.3Å; Y101-Y105 AromaticContact CD2-CD2 3.5Å; Y101-Y105 HydrophobicContact CD2-CD2 3.5Å; Y101-Y105 VanDerWaalsContact CD2-CD2 3.5Å; Y101-Y105 HydrophobicContact CD2-CE2 4.24Å; Y101-Y105 HydrophobicContact CD2-CG 4.12Å; Y101-Y105 AromaticContact CE2-CD2 3.45Å; Y101-Y105 HydrophobicContact CE2-CD2 3.45Å; Y101-Y105 VanDerWaalsContact CE2-CD2 3.45Å; Y101-Y105 HydrophobicContact CE2-CE2 4.21Å; Y101-Y105 AromaticContact CE2-CG 3.67Å; Y101-Y105 HydrophobicContact CE2-CG 3.67Å; Y101-Y105 HydrophobicContact CG-CD2 4.36Å; Y101-Y105 PolarHBondContact O-N 3.35Å; Y105-K107 VanDerWaalsContact C-N 3.33Å; Y105-F160 AromaticContact CE2-CD1 3.96Å; Y105-F160 HydrophobicContact CE2-CD1 3.96Å; Y105-F160 HydrophobicContact CE2-CE1 4Å; Y105-F160 HydrophobicContact CE2-CG 4.34Å; Y105-F160 HydrophobicContact CE2-CZ 4.42Å; Y105-F160 AromaticContact CZ-CD1 3.99Å; Y105-F160 WeakPolarHBondContact OH-CD1 3.44Å
106L96.6Very high97.3Very high50 Ų5037.3 Ų37.326%0.26217%0.169SC..SBendtrans-89.8-0.3177.5-45.9179.8000112.9L13 I14 Y101 A102 K108L13-L106 HydrophobicContact CB-CD1 4.37Å; I14-L106 HydrophobicContact CD1-CD1 4.13Å; I14-L106 HydrophobicContact CD1-CD2 3.69Å; I14-L106 HydrophobicContact CG1-CD1 3.61Å; I14-L106 HydrophobicContact CG1-CD2 3.9Å; I14-L106 HydrophobicContact CG1-CG 4.43Å; Y101-L106 HydrophobicContact CD1-CG 4.39Å; Y101-L106 HydrophobicContact CE1-CD1 4.41Å; Y101-L106 HydrophobicContact CE1-CD2 4.13Å; Y101-L106 HydrophobicContact CE1-CG 4.12Å; Y101-L106 PolarHBondContact O-N 2.9Å; A102-L106 HydrophobicContact CB-CD1 4.12Å; A102-L106 CarbonylContact O-C 3.58Å; A102-L106 VanDerWaalsContact O-C 3.27Å; A102-L106 WeakPolarHBondContact O-CA 3.44Å; A102-L106 VanDerWaalsContact O-CB 3.32Å; A102-L106 WeakPolarHBondContact O-CB 3.42Å; A102-L106 PolarHBondContact O-N 3.37Å; L106-K108 HydrophobicContact CB-CG 4.27Å; L106-K108 PolarHBondContact O-N 3.15Å
107K96Very high97.1Very high152 Ų15237 Ų3766%0.66117%0.168SC*.  trans5712.7176.7-52.4-57.6-179.7-169.10115.9A102 V103 I104 Y105 R150A102-K107 PolarHBondContact O-N 3.02Å; A102-K107 VanDerWaalsContact O-N 3.11Å; V103-K107 WeakPolarHBondContact O-CA 3.45Å; I104-K107 WeakPolarHBondContact O-CD 3.45Å; I104-K107 WeakPolarHBondContact O-CE 3.41Å; I104-K107 PolarHBondContact O-NZ 2.97Å; Y105-K107 VanDerWaalsContact C-N 3.33Å; K107-R150 PolarHBondContact O-NH2 3.4Å
108K97.4Very high96.8Very high51 Ų5140.8 Ų40.822%0.22219%0.187CC..  trans-60153.8177.1-63.2-163-175.7-174.40111.6L13 A102 L106 E112 A113 R150L13-K108 WeakPolarHBondContact O-CE 3.45Å; L13-K108 PolarHBondContact O-NZ 3.1Å; A102-K108 HydrophobicContact CB-CD 4.43Å; A102-K108 PolarHBondContact O-N 3.01Å; A102-K108 VanDerWaalsContact O-N 3.14Å; L106-K108 HydrophobicContact CB-CG 4.27Å; L106-K108 PolarHBondContact O-N 3.15Å; K108-E112 WeakPolarHBondContact CA-OE2 3.35Å; K108-E112 HydrophobicContact CB-CB 4.12Å; K108-E112 HydrophobicContact CD-CB 4.47Å; K108-A113 HydrophobicContact CB-CB 4.47Å; K108-R150 PolarHBondContact O-NH2 2.79Å
109T98.3Very high95.9Very high50 Ų5043.4 Ų43.431%0.30721%0.205SC..  trans-68.1157.4166.790.40000110.3E111 E112 A113T109-E111 VanDerWaalsContact CB-OE2 3.23Å; T109-E111 WeakPolarHBondContact CB-OE2 3.15Å; T109-E111 PolarHBondContact O-N 2.95Å; T109-E111 PolarHBondContact OG1-N 3.36Å; T109-E111 PolarHBondContact OG1-OE2 3.45Å; T109-E112 HydrophobicContact CG2-CG 4.29Å; T109-E112 PolarHBondContact N-OE2 2.89Å; T109-E112 PolarHBondContact O-N 3Å; T109-E112 PolarHBondContact OG1-N 3.12Å; T109-E112 VanDerWaalsContact OG1-N 3.14Å; T109-A113 WeakPolarHBondContact O-CB 3.02Å; T109-A113 PolarHBondContact O-N 3.48Å
110P98.6Very high94.4Very high6 Ų645.9 Ų45.94%0.03923%0.231CC..Hα-helixtrans-51.8-40171.8-28.237.5000112.8V103 A113 F114 L143 L146 Q147 R150V103-P110 HydrophobicContact CG2-CG 4.47Å; P110-A113 PolarHBondContact O-N 3.42Å; P110-F114 WeakPolarHBondContact O-CB 3.37Å; P110-F114 PolarHBondContact O-N 3.03Å; P110-L143 HydrophobicContact CB-CD1 3.94Å; P110-L146 HydrophobicContact CB-CB 3.79Å; P110-Q147 HydrophobicContact CB-CB 4.43Å; P110-Q147 HydrophobicContact CB-CG 3.55Å; P110-Q147 HydrophobicContact CG-CB 4.45Å; P110-Q147 HydrophobicContact CG-CG 3.88Å; P110-R150 HydrophobicContact CG-CB 3.58Å; P110-R150 HydrophobicContact CG-CG 3.96Å
111E98Very high92.6Very high70 Ų7052 Ų5233%0.32727%0.274SS..Hα-helixtrans-70.4-39.1-178.8-55.866.2-140.500111.4T109 R115 L143 Q147T109-E111 VanDerWaalsContact CB-OE2 3.23Å; T109-E111 WeakPolarHBondContact CB-OE2 3.15Å; T109-E111 PolarHBondContact O-N 2.95Å; T109-E111 PolarHBondContact OG1-N 3.36Å; T109-E111 PolarHBondContact OG1-OE2 3.45Å; E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 3.13Å; E111-L143 HydrophobicContact CG-CD1 4.47Å; E111-Q147 PolarHBondContact OE1-NE2 3.38Å
112E97.1Very high91.2Very high84 Ų8453.5 Ų53.539%0.39328%0.282SS..Hα-helixtrans-67-43.9174-69.4175.5151.300112.3K108 T109 A116K108-E112 WeakPolarHBondContact CA-OE2 3.35Å; K108-E112 HydrophobicContact CB-CB 4.12Å; K108-E112 HydrophobicContact CD-CB 4.47Å; T109-E112 HydrophobicContact CG2-CG 4.29Å; T109-E112 PolarHBondContact N-OE2 2.89Å; T109-E112 PolarHBondContact O-N 3Å; T109-E112 PolarHBondContact OG1-N 3.12Å; T109-E112 VanDerWaalsContact OG1-N 3.14Å; E112-A116 PolarHBondContact O-N 2.87Å; E112-A116 VanDerWaalsContact O-N 3.08Å
113A97Very high90.3Very high0 Ų056.2 Ų56.20%031%0.305CS..Hα-helixtrans-62.7-46.9175.800000110.7A102 V103 K108 T109 P110 A116 L117 L146A102-A113 HydrophobicContact CB-CB 3.98Å; V103-A113 HydrophobicContact CG2-CB 4.14Å; K108-A113 HydrophobicContact CB-CB 4.47Å; T109-A113 WeakPolarHBondContact O-CB 3.02Å; T109-A113 PolarHBondContact O-N 3.48Å; P110-A113 PolarHBondContact O-N 3.42Å; A113-A116 PolarHBondContact O-N 2.93Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 2.93Å; A113-L117 VanDerWaalsContact O-N 3.11Å; A113-L146 HydrophobicContact CB-CD1 3.93Å
114F96.6Very high90Very high47 Ų4760.1 Ų60.121%0.20634%0.338CS..Hα-helixtrans-65.2-42.6177.3-174.5-115.2000112.5P110 A116 L117 I118 Y125 V142 L143 L146P110-F114 WeakPolarHBondContact O-CB 3.37Å; P110-F114 PolarHBondContact O-N 3.03Å; F114-A116 VanDerWaalsContact C-N 3.27Å; F114-A116 PolarHBondContact O-N 3.04Å; F114-L117 CarbonylContact O-C 3.51Å; F114-L117 WeakPolarHBondContact O-CA 3.45Å; F114-L117 PolarHBondContact O-N 3.5Å; F114-I118 HydrophobicContact CD1-CD1 4.32Å; F114-I118 HydrophobicContact CD2-CG2 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.05Å; F114-I118 HydrophobicContact CE1-CG2 4.12Å; F114-I118 HydrophobicContact CE2-CG2 3.87Å; F114-I118 HydrophobicContact CZ-CG2 3.72Å; F114-I118 WeakPolarHBondContact O-CG1 3.46Å; F114-I118 PolarHBondContact O-N 3.04Å; F114-Y125 HydrophobicContact CE2-CD2 4.24Å; F114-V142 HydrophobicContact CD2-CB 4.24Å; F114-V142 HydrophobicContact CD2-CG1 4.04Å; F114-V142 HydrophobicContact CE2-CB 3.98Å; F114-V142 HydrophobicContact CE2-CG1 4.24Å; F114-L143 HydrophobicContact CB-CD1 3.92Å; F114-L143 HydrophobicContact CD1-CB 4.1Å; F114-L143 HydrophobicContact CD1-CD1 4.4Å; F114-L143 HydrophobicContact CD1-CD2 4.25Å; F114-L143 HydrophobicContact CD1-CG 4.49Å; F114-L143 HydrophobicContact CD2-CB 4.32Å; F114-L143 HydrophobicContact CE1-CB 4.37Å; F114-L143 HydrophobicContact CG-CB 4.08Å; F114-L143 HydrophobicContact CG-CD1 4.26Å; F114-L146 HydrophobicContact CB-CD1 4.28Å
115R94.9Very high89.9Confident150 Ų15060.9 Ų60.957%0.56634%0.34SS*.Hα-helixtrans-58.2-38.7175.9-170.8-172.9-52.31177112E111 S119E111-R115 WeakPolarHBondContact O-CB 3.16Å; E111-R115 PolarHBondContact O-N 3.13Å; R115-S119 PolarHBondContact O-N 2.93Å; R115-S119 VanDerWaalsContact O-N 3.13Å
116A93.7Very high89.9Confident14 Ų1460.6 Ų60.612%0.11634%0.344CS..Hα-helixtrans-65.1-44.2171.500000111.4A11 L13 E112 A113 F114 I118 S119A11-A116 WeakPolarHBondContact CB-O 3.24Å; L13-A116 HydrophobicContact CD1-CB 3.93Å; E112-A116 PolarHBondContact O-N 2.87Å; E112-A116 VanDerWaalsContact O-N 3.08Å; A113-A116 PolarHBondContact O-N 2.93Å; F114-A116 VanDerWaalsContact C-N 3.27Å; F114-A116 PolarHBondContact O-N 3.04Å; A116-I118 VanDerWaalsContact C-N 3.26Å; A116-I118 PolarHBondContact O-N 3.19Å; A116-S119 WeakPolarHBondContact O-CB 3.42Å; A116-S119 PolarHBondContact O-N 3.42Å; A116-S119 PolarHBondContact O-OG 2.87Å
117L93.8Very high90Very high0 Ų060.3 Ų60.30%035%0.345CS..Hα-helixtrans-67.7-20.7-179-65.4169.3000114.9F20 A95 I98 A113 F114 Y125F20-L117 HydrophobicContact CB-CD2 4.24Å; F20-L117 HydrophobicContact CD1-CD2 3.54Å; F20-L117 HydrophobicContact CE1-CD2 4.16Å; F20-L117 HydrophobicContact CG-CD2 4.09Å; A95-L117 HydrophobicContact CB-CD1 4.29Å; A95-L117 WeakPolarHBondContact O-CD1 3.48Å; I98-L117 HydrophobicContact CG2-CD2 3.56Å; A113-L117 WeakPolarHBondContact O-CG 3.31Å; A113-L117 PolarHBondContact O-N 2.93Å; A113-L117 VanDerWaalsContact O-N 3.11Å; F114-L117 CarbonylContact O-C 3.51Å; F114-L117 WeakPolarHBondContact O-CA 3.45Å; F114-L117 PolarHBondContact O-N 3.5Å; L117-Y125 HydrophobicContact CB-CE2 4.15Å; L117-Y125 WeakPolarHBondContact O-CE2 3.5Å; L117-Y125 PolarHBondContact O-OH 3.18Å
118I91.6Very high90.1Very high82 Ų8253 Ų5342%0.42131%0.313SS..THydrogen-bonded Turntrans-100.41.8171.468.9177.8000113.1F114 A116 Y125F114-I118 HydrophobicContact CD1-CD1 4.32Å; F114-I118 HydrophobicContact CD2-CG2 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.05Å; F114-I118 HydrophobicContact CE1-CG2 4.12Å; F114-I118 HydrophobicContact CE2-CG2 3.87Å; F114-I118 HydrophobicContact CZ-CG2 3.72Å; F114-I118 WeakPolarHBondContact O-CG1 3.46Å; F114-I118 PolarHBondContact O-N 3.04Å; A116-I118 VanDerWaalsContact C-N 3.26Å; A116-I118 PolarHBondContact O-N 3.19Å; I118-Y125 HydrophobicContact CG2-CD2 4.38Å; I118-Y125 HydrophobicContact CG2-CE2 4.05Å
119S81.1Confident90.1Very high56 Ų5653.4 Ų53.439%0.39231%0.313SS..  trans-73.8136174.877.70000110.3R115 A116 N122R115-S119 PolarHBondContact O-N 2.93Å; R115-S119 VanDerWaalsContact O-N 3.13Å; A116-S119 WeakPolarHBondContact O-CB 3.42Å; A116-S119 PolarHBondContact O-N 3.42Å; A116-S119 PolarHBondContact O-OG 2.87Å; S119-N122 PolarHBondContact O-ND2 2.86Å
120G67.1Low90.1Very high53 Ų5351 Ų5155%0.54630%0.299SS..SBendtrans92.5178.1-171.600000114.1N122G120-N122 PolarHBondContact O-N 3.45Å
121S59.6Low89.9Confident129 Ų12950.8 Ų50.890%0.90230%0.297SS*.SBendtrans-76.336-175.4-47.90000114.1
122N68.1Low89.7Confident38 Ų3847.8 Ų47.820%0.20328%0.284CS..PPolyproline II helixtrans-80.4130.4-178.4-74.9-50.8000110.7G9 S119 G120G9-N122 PolarHBondContact O-ND2 3Å; G9-N122 PolarHBondContact O-OD1 3.44Å; S119-N122 PolarHBondContact O-ND2 2.86Å; G120-N122 PolarHBondContact O-N 3.45Å
123A79.9Confident89.2Confident57 Ų5747.2 Ų47.247%0.47128%0.28SS..PPolyproline II helixtrans-59.2145.7171.300000110.4R91R91-A123 PolarHBondContact NH1-O 2.69Å; R91-A123 PolarHBondContact NH2-O 3.27Å
124A90.9Very high88.7Confident85 Ų8548.9 Ų48.970%0.70230%0.298SS*.PPolyproline II helixtrans-51148.4176.500000111.8R91R91-A124 PolarHBondContact NH1-O 3.26Å
125Y95.6Very high88.2Confident24 Ų2454 Ų549%0.09433%0.327CS..PPolyproline II helixtrans-76.2136.5175.2-61.8-72.9000109.9F20 R91 A95 F114 L117 I118 P127 V142F20-Y125 HydrophobicContact CE1-CE1 4.4Å; R91-Y125 HydrophobicContact CB-CD1 4.2Å; R91-Y125 HydrophobicContact CB-CE1 4.31Å; A95-Y125 HydrophobicContact CB-CD1 3.9Å; A95-Y125 HydrophobicContact CB-CE1 3.56Å; A95-Y125 HydrophobicContact CB-CE2 4.24Å; A95-Y125 HydrophobicContact CB-CG 4.39Å; F114-Y125 HydrophobicContact CE2-CD2 4.24Å; L117-Y125 HydrophobicContact CB-CE2 4.15Å; L117-Y125 WeakPolarHBondContact O-CE2 3.5Å; L117-Y125 PolarHBondContact O-OH 3.18Å; I118-Y125 HydrophobicContact CG2-CD2 4.38Å; I118-Y125 HydrophobicContact CG2-CE2 4.05Å; Y125-P127 WeakPolarHBondContact O-CD 3.39Å; Y125-V142 HydrophobicContact CD2-CG2 4.31Å; Y125-V142 HydrophobicContact CG-CG2 4.02Å
126L96.9Very high88Confident75 Ų7548.3 Ų48.339%0.39331%0.31SS..PPolyproline II helixtrans-63.9124.9173.9179.868000109.4F51 Q88 R89 A92F51-L126 HydrophobicContact CD1-CD2 4.46Å; F51-L126 HydrophobicContact CE1-CD2 3.68Å; F51-L126 HydrophobicContact CE1-CG 4.02Å; F51-L126 HydrophobicContact CE2-CD2 4.5Å; F51-L126 HydrophobicContact CZ-CB 4.23Å; F51-L126 HydrophobicContact CZ-CD2 3.7Å; F51-L126 HydrophobicContact CZ-CG 3.77Å; Q88-L126 HydrophobicContact CB-CB 3.96Å; Q88-L126 HydrophobicContact CB-CD2 4.22Å; R89-L126 HydrophobicContact CG-CD2 3.92Å; A92-L126 WeakPolarHBondContact CB-O 3.49Å
127P98.1Very high88Confident43 Ų4352.3 Ų52.328%0.27933%0.333SS..PPolyproline II helixtrans-61.7143.2174.9-23.434.7000112F51 Y125 N139 L140F51-P127 WeakPolarHBondContact CE1-O 3.29Å; F51-P127 VanDerWaalsContact CZ-O 3.28Å; F51-P127 WeakPolarHBondContact CZ-O 3.45Å; Y125-P127 WeakPolarHBondContact O-CD 3.39Å; P127-N139 HydrophobicContact CB-CB 3.75Å; P127-N139 HydrophobicContact CG-CB 4.18Å; P127-L140 CarbonylContact C-O 3.44Å; P127-L140 WeakPolarHBondContact CA-O 3.5Å
128F98.6Very high88.1Confident0 Ų053.4 Ų53.40%034%0.337CS..BIsolated β-bridgetrans-70132.3172.7-55.1-73.8000110F51 P53 A92 V96 L140 V142F51-F128 AromaticContact CD2-CD1 3.94Å; F51-F128 HydrophobicContact CD2-CD1 3.94Å; F51-F128 HydrophobicContact CD2-CE1 4.11Å; F51-F128 AromaticContact CE2-CD1 3.37Å; F51-F128 HydrophobicContact CE2-CD1 3.37Å; F51-F128 AromaticContact CE2-CE1 3.56Å; F51-F128 HydrophobicContact CE2-CE1 3.56Å; F51-F128 HydrophobicContact CE2-CG 4.4Å; F51-F128 AromaticContact CZ-CD1 3.79Å; F51-F128 HydrophobicContact CZ-CD1 3.79Å; F51-F128 HydrophobicContact CZ-CE1 4.34Å; F51-F128 HydrophobicContact CZ-CG 4.45Å; P53-F128 HydrophobicContact CB-CE1 4.33Å; P53-F128 HydrophobicContact CB-CE2 4.28Å; P53-F128 HydrophobicContact CB-CZ 4.15Å; A92-F128 HydrophobicContact CB-CE1 3.98Å; A92-F128 HydrophobicContact CB-CZ 3.89Å; V96-F128 HydrophobicContact CG2-CE2 3.58Å; V96-F128 HydrophobicContact CG2-CZ 3.58Å; F128-L140 HydrophobicContact CB-CB 4.27Å; F128-L140 HydrophobicContact CB-CD2 4.49Å; F128-L140 WeakPolarHBondContact CD2-O 3.34Å; F128-L140 PolarHBondContact N-O 3.03Å; F128-L140 WeakPolarHBondContact O-CB 3.23Å; F128-L140 PolarHBondContact O-N 3.09Å; F128-V142 HydrophobicContact CE2-CG2 4.16Å
129R97.4Very high88.2Confident59 Ų5954.7 Ų54.722%0.22335%0.345CS..PPolyproline II helixtrans-102.2169.2174.463.5174.7-67.8163.75.9111.2A49 F51 G134 C136A49-R129 WeakPolarHBondContact O-CD 3.36Å; F51-R129 HydrophobicContact CD1-CG 4.39Å; F51-R129 HydrophobicContact CE1-CG 4.42Å; R129-G134 PolarHBondContact NH2-O 3.01Å; R129-C136 HydrophobicContact CB-CB 3.85Å
130D96.8Very high89Confident0 Ų052 Ų520%033%0.326CS..  trans-85.9175177.985.6-46.7000113.6S132 C136 I316 G317D130-S132 VanDerWaalsContact C-N 3.27Å; D130-S132 VanDerWaalsContact CG-OG 3.26Å; D130-S132 PolarHBondContact O-N 2.85Å; D130-S132 PolarHBondContact OD1-OG 2.81Å; D130-S132 WeakPolarHBondContact OD2-CB 3.44Å; D130-S132 PolarHBondContact OD2-N 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.25Å; D130-S132 VanDerWaalsContact OD2-OG 3.14Å; D130-C136 PolarHBondContact OD1-SG 3.45Å; D130-I316 WeakPolarHBondContact OD2-CA 3.49Å; D130-I316 VanDerWaalsContact OD2-CG2 3.3Å; D130-I316 WeakPolarHBondContact OD2-CG2 3.45Å; D130-G317 PolarHBondContact OD2-N 3.36Å
131A95.7Very high90.5Very high0 Ų051.9 Ų51.90%032%0.315CS..SBendtrans-84.516.8179.300000114.1F47 I316 L419F47-A131 HydrophobicContact CB-CB 3.97Å; F47-A131 HydrophobicContact CD2-CB 4.25Å; F47-A131 HydrophobicContact CG-CB 4.31Å; A131-I316 HydrophobicContact CB-CD1 4.43Å; A131-L419 HydrophobicContact CB-CD2 4.18Å
132S92.4Very high92.4Very high7 Ų745.9 Ų45.95%0.04927%0.273CS..  trans-68.3150.9176.661.40000112.5Y48 D130Y48-S132 WeakPolarHBondContact CD1-O 3.2Å; D130-S132 VanDerWaalsContact C-N 3.27Å; D130-S132 VanDerWaalsContact CG-OG 3.26Å; D130-S132 PolarHBondContact O-N 2.85Å; D130-S132 PolarHBondContact OD1-OG 2.81Å; D130-S132 WeakPolarHBondContact OD2-CB 3.44Å; D130-S132 PolarHBondContact OD2-N 3.07Å; D130-S132 PolarHBondContact OD2-OG 3.25Å; D130-S132 VanDerWaalsContact OD2-OG 3.14Å
133F87.4Confident93.8Very high72 Ų7245.8 Ų45.832%0.31627%0.272SS..SBendtrans-80.6121.4165.4-58.3-82.1000108.8Y48 Q415 K418 L422Y48-F133 HydrophobicContact CD1-CD1 4.46Å; Y48-F133 AromaticContact CD2-CD1 3.64Å; Y48-F133 HydrophobicContact CD2-CD1 3.64Å; Y48-F133 AromaticContact CD2-CE1 3.84Å; Y48-F133 HydrophobicContact CD2-CE1 3.84Å; Y48-F133 AromaticContact CE2-CD1 3.96Å; Y48-F133 HydrophobicContact CE2-CD1 3.96Å; Y48-F133 HydrophobicContact CE2-CE1 4.49Å; Y48-F133 AromaticContact CG-CD1 3.91Å; Y48-F133 HydrophobicContact CG-CD1 3.91Å; Y48-F133 HydrophobicContact CG-CE1 4.22Å; F133-Q415 HydrophobicContact CE2-CG 4.48Å; F133-K418 HydrophobicContact CD2-CD 4.05Å; F133-K418 HydrophobicContact CE1-CD 4.42Å; F133-K418 HydrophobicContact CE2-CB 3.65Å; F133-K418 HydrophobicContact CE2-CD 3.58Å; F133-K418 HydrophobicContact CE2-CG 4.29Å; F133-K418 HydrophobicContact CZ-CB 3.47Å; F133-K418 VanDerWaalsContact CZ-CB 3.47Å; F133-K418 HydrophobicContact CZ-CD 3.81Å; F133-K418 HydrophobicContact CZ-CG 4.28Å; F133-L422 HydrophobicContact CE1-CD1 4.01Å; F133-L422 HydrophobicContact CZ-CD1 3.68Å
134G85.5Confident94.7Very high36 Ų3644.4 Ų44.437%0.37126%0.257SS..SBendtrans107.1-139.8-179.400000113.8R129R129-G134 PolarHBondContact NH2-O 3.01Å
135N86.4Confident95.1Very high154 Ų15440.3 Ų40.382%0.82422%0.223SC*.  trans-89.7134.8-174.4-69.7-7.7000111.7
136C90.9Very high95.3Very high31 Ų3139.2 Ų39.221%0.20922%0.219CC..  trans-89127.7172.9-170.40000109.8R129 D130 Y138R129-C136 HydrophobicContact CB-CB 3.85Å; D130-C136 PolarHBondContact OD1-SG 3.45Å; C136-Y138 PolarHBondContact SG-O 3.16Å
137T93.1Very high95.4Very high97 Ų9737.6 Ų37.660%0.59521%0.209SC*.  trans-94.61.5-179.754.20000113.7N321T137-N321 PolarHBondContact OG1-OD1 2.82Å; T137-N321 VanDerWaalsContact OG1-OD1 3.11Å
138Y96.2Very high95.4Very high23 Ų2335.5 Ų35.59%0.0920%0.196CC..  trans-134.9139.6-172.6-169.8-90.3000110.1C136 L140 A301 I304 Q320 E324C136-Y138 PolarHBondContact SG-O 3.16Å; Y138-L140 HydrophobicContact CE1-CB 4.23Å; Y138-L140 HydrophobicContact CE1-CD1 4.14Å; Y138-A301 VanDerWaalsContact OH-CA 3.25Å; Y138-A301 WeakPolarHBondContact OH-CA 3.47Å; Y138-A301 VanDerWaalsContact OH-CB 3.3Å; Y138-A301 WeakPolarHBondContact OH-CB 3.44Å; Y138-A301 PolarHBondContact OH-N 2.85Å; Y138-I304 HydrophobicContact CE1-CD1 3.98Å; Y138-Q320 HydrophobicContact CD1-CB 4.12Å; Y138-Q320 HydrophobicContact CD1-CG 4.42Å; Y138-Q320 HydrophobicContact CD2-CB 3.9Å; Y138-Q320 HydrophobicContact CE2-CB 4.5Å; Y138-Q320 HydrophobicContact CG-CB 3.68Å; Y138-Q320 HydrophobicContact CG-CG 4.35Å; Y138-E324 HydrophobicContact CE2-CG 3.75Å; Y138-E324 VanDerWaalsContact CE2-OE1 3.29Å; Y138-E324 WeakPolarHBondContact CE2-OE1 3.35Å; Y138-E324 PolarHBondContact OH-OE1 3.23Å
139N94.8Very high95.4Very high110 Ų11035.7 Ų35.759%0.58820%0.197SC*.  trans-121.9105.4-176-74.7-50.4000109.5P127P127-N139 HydrophobicContact CB-CB 3.75Å; P127-N139 HydrophobicContact CG-CB 4.18Å
140L98.3Very high95.4Very high0 Ų036 Ų360%020%0.198CC..BIsolated β-bridgetrans-90.7121.1178.4-173.777.2000109.9P127 F128 Y138 D144 A301 I304 A305P127-L140 CarbonylContact C-O 3.44Å; P127-L140 WeakPolarHBondContact CA-O 3.5Å; F128-L140 HydrophobicContact CB-CB 4.27Å; F128-L140 HydrophobicContact CB-CD2 4.49Å; F128-L140 WeakPolarHBondContact CD2-O 3.34Å; F128-L140 PolarHBondContact N-O 3.03Å; F128-L140 WeakPolarHBondContact O-CB 3.23Å; F128-L140 PolarHBondContact O-N 3.09Å; Y138-L140 HydrophobicContact CE1-CB 4.23Å; Y138-L140 HydrophobicContact CE1-CD1 4.14Å; L140-D144 HydrophobicContact CD1-CB 3.77Å; L140-D144 HydrophobicContact CG-CB 4.36Å; L140-A301 HydrophobicContact CD1-CB 4.19Å; L140-A301 VanDerWaalsContact CD1-O 3.31Å; L140-A301 WeakPolarHBondContact CD1-O 3.16Å; L140-I304 HydrophobicContact CD1-CB 4.46Å; L140-I304 HydrophobicContact CD1-CG2 4.36Å; L140-I304 HydrophobicContact CD2-CG2 4.25Å; L140-A305 HydrophobicContact CD1-CB 4.14Å; L140-A305 HydrophobicContact CD2-CB 3.91Å; L140-A305 HydrophobicContact CG-CB 4.41Å
141T98.5Very high95.5Very high49 Ų4937.5 Ų37.530%0.30120%0.204SC..  trans-88.4169-173.376.20000113.1L143 D144 C145T141-L143 VanDerWaalsContact C-N 3.26Å; T141-L143 PolarHBondContact O-N 3.3Å; T141-L143 PolarHBondContact OG1-N 2.93Å; T141-D144 WeakPolarHBondContact CA-OD2 3.39Å; T141-D144 VanDerWaalsContact CB-OD2 3.22Å; T141-D144 WeakPolarHBondContact CB-OD2 3.31Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.46Å; T141-D144 PolarHBondContact N-OD2 3.23Å; T141-D144 PolarHBondContact O-N 3.17Å; T141-D144 PolarHBondContact OG1-N 3.44Å; T141-D144 PolarHBondContact OG1-OD2 3.24Å; T141-C145 PolarHBondContact O-N 2.72Å; T141-C145 PolarHBondContact O-SG 2.83Å
142V98.6Very high95.6Very high3 Ų337.5 Ų37.52%0.01820%0.204CC..Hα-helixtrans-60.1-38.1168.5174.50000110.8A92 A95 V96 F114 Y125 F128 C145 L146A92-V142 HydrophobicContact CB-CG2 4.44Å; A95-V142 HydrophobicContact CB-CG1 4.22Å; A95-V142 HydrophobicContact CB-CG2 4.46Å; V96-V142 HydrophobicContact CG2-CB 4.31Å; V96-V142 HydrophobicContact CG2-CG1 3.94Å; V96-V142 HydrophobicContact CG2-CG2 4.18Å; F114-V142 HydrophobicContact CD2-CB 4.24Å; F114-V142 HydrophobicContact CD2-CG1 4.04Å; F114-V142 HydrophobicContact CE2-CB 3.98Å; F114-V142 HydrophobicContact CE2-CG1 4.24Å; Y125-V142 HydrophobicContact CD2-CG2 4.31Å; Y125-V142 HydrophobicContact CG-CG2 4.02Å; F128-V142 HydrophobicContact CE2-CG2 4.16Å; V142-C145 WeakPolarHBondContact O-CB 3.25Å; V142-C145 PolarHBondContact O-N 2.79Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.22Å; V142-L146 VanDerWaalsContact O-N 3.09Å
143L98.7Very high95.7Very high37 Ų3739.6 Ų39.619%0.19422%0.215CC..Hα-helixtrans-64.9-43.9-179.9178.659.3000111.6P110 E111 F114 T141 C145 L146 Q147P110-L143 HydrophobicContact CB-CD1 3.94Å; E111-L143 HydrophobicContact CG-CD1 4.47Å; F114-L143 HydrophobicContact CB-CD1 3.92Å; F114-L143 HydrophobicContact CD1-CB 4.1Å; F114-L143 HydrophobicContact CD1-CD1 4.4Å; F114-L143 HydrophobicContact CD1-CD2 4.25Å; F114-L143 HydrophobicContact CD1-CG 4.49Å; F114-L143 HydrophobicContact CD2-CB 4.32Å; F114-L143 HydrophobicContact CE1-CB 4.37Å; F114-L143 HydrophobicContact CG-CB 4.08Å; F114-L143 HydrophobicContact CG-CD1 4.26Å; T141-L143 VanDerWaalsContact C-N 3.26Å; T141-L143 PolarHBondContact O-N 3.3Å; T141-L143 PolarHBondContact OG1-N 2.93Å; L143-C145 PolarHBondContact O-N 3.15Å; L143-L146 PolarHBondContact O-N 2.65Å; L143-Q147 HydrophobicContact CD1-CG 4.11Å; L143-Q147 HydrophobicContact CG-CG 4.34Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.74Å
144D98.8Very high96.1Very high27 Ų2741.9 Ų41.914%0.14423%0.226CC..Hα-helixtrans-59.1-36.4176.9-52.6-52.9000111.5L140 T141 Q147 G148 A301L140-D144 HydrophobicContact CD1-CB 3.77Å; L140-D144 HydrophobicContact CG-CB 4.36Å; T141-D144 WeakPolarHBondContact CA-OD2 3.39Å; T141-D144 VanDerWaalsContact CB-OD2 3.22Å; T141-D144 WeakPolarHBondContact CB-OD2 3.31Å; T141-D144 WeakPolarHBondContact CG2-OD2 3.46Å; T141-D144 PolarHBondContact N-OD2 3.23Å; T141-D144 PolarHBondContact O-N 3.17Å; T141-D144 PolarHBondContact OG1-N 3.44Å; T141-D144 PolarHBondContact OG1-OD2 3.24Å; D144-Q147 PolarHBondContact O-N 2.95Å; D144-G148 PolarHBondContact O-N 3.47Å; D144-A301 HydrophobicContact CB-CB 3.98Å
145C98.9Very high96.7Very high0 Ų044 Ų440%023%0.226CC..Hα-helixtrans-65.7-42.7173.7-60.20000112.3V96 T141 V142 L143 I149 A305 I309V96-C145 HydrophobicContact CG1-CB 4.11Å; V96-C145 HydrophobicContact CG2-CB 3.92Å; T141-C145 PolarHBondContact O-N 2.72Å; T141-C145 PolarHBondContact O-SG 2.83Å; V142-C145 WeakPolarHBondContact O-CB 3.25Å; V142-C145 PolarHBondContact O-N 2.79Å; L143-C145 PolarHBondContact O-N 3.15Å; C145-I149 WeakPolarHBondContact O-CD1 3.17Å; C145-I149 VanDerWaalsContact O-CG1 3.25Å; C145-I149 WeakPolarHBondContact O-CG1 3.28Å; C145-I149 PolarHBondContact O-N 2.86Å; C145-A305 HydrophobicContact CB-CB 4.4Å; C145-I309 HydrophobicContact CB-CD1 4.49Å
146L98.8Very high97.1Very high0 Ų039.5 Ų39.50%022%0.217CC..Hα-helixtrans-68.2-35.7176.7-60.6-169.6000112.3V103 P110 A113 F114 V142 L143 I149 R150V103-L146 HydrophobicContact CG2-CB 4.4Å; P110-L146 HydrophobicContact CB-CB 3.79Å; A113-L146 HydrophobicContact CB-CD1 3.93Å; F114-L146 HydrophobicContact CB-CD1 4.28Å; V142-L146 WeakPolarHBondContact O-CG 3.49Å; V142-L146 PolarHBondContact O-N 3.22Å; V142-L146 VanDerWaalsContact O-N 3.09Å; L143-L146 PolarHBondContact O-N 2.65Å; L146-I149 HydrophobicContact CD2-CD1 4.49Å; L146-R150 WeakPolarHBondContact O-CB 3.19Å; L146-R150 PolarHBondContact O-N 2.97Å
147Q98.8Very high97.4Very high41 Ų4138.4 Ų38.419%0.19221%0.208CC..Hα-helixtrans-69.3-44.3175.3-70.7176.3-22.700111.5P110 E111 L143 D144 I149 R150 K151 E302P110-Q147 HydrophobicContact CB-CB 4.43Å; P110-Q147 HydrophobicContact CB-CG 3.55Å; P110-Q147 HydrophobicContact CG-CB 4.45Å; P110-Q147 HydrophobicContact CG-CG 3.88Å; E111-Q147 PolarHBondContact OE1-NE2 3.38Å; L143-Q147 HydrophobicContact CD1-CG 4.11Å; L143-Q147 HydrophobicContact CG-CG 4.34Å; L143-Q147 WeakPolarHBondContact O-CG 3.29Å; L143-Q147 PolarHBondContact O-N 2.74Å; D144-Q147 PolarHBondContact O-N 2.95Å; Q147-I149 PolarHBondContact O-N 3.27Å; Q147-R150 PolarHBondContact O-N 2.7Å; Q147-K151 WeakPolarHBondContact O-CB 3.23Å; Q147-K151 PolarHBondContact O-N 3.47Å; Q147-E302 HydrophobicContact CB-CG 3.7Å
148G98.7Very high97.2Very high0 Ų034.6 Ų34.60%018%0.183CC..Hα-helixtrans-57.6-45.5172.200000112.7D144 K151 A152D144-G148 PolarHBondContact O-N 3.47Å; G148-K151 PolarHBondContact O-N 3.41Å; G148-A152 WeakPolarHBondContact O-CB 3.21Å; G148-A152 PolarHBondContact O-N 3.01Å
149I98.6Very high96.8Very high3 Ų337.1 Ų37.12%0.01520%0.199CC..Hα-helixtrans-60.1-48.7172.8-69.2163.7000110.9L59 V96 V103 I104 C145 L146 Q147 K151 A152 L153 I309L59-I149 HydrophobicContact CD2-CD1 3.85Å; L59-I149 HydrophobicContact CD2-CG1 4.33Å; V96-I149 HydrophobicContact CG1-CD1 4.46Å; V103-I149 HydrophobicContact CG1-CG2 4.46Å; I104-I149 HydrophobicContact CD1-CG2 4.06Å; I104-I149 HydrophobicContact CG1-CG2 4.11Å; C145-I149 WeakPolarHBondContact O-CD1 3.17Å; C145-I149 VanDerWaalsContact O-CG1 3.25Å; C145-I149 WeakPolarHBondContact O-CG1 3.28Å; C145-I149 PolarHBondContact O-N 2.86Å; L146-I149 HydrophobicContact CD2-CD1 4.49Å; Q147-I149 PolarHBondContact O-N 3.27Å; I149-K151 VanDerWaalsContact C-N 3.32Å; I149-K151 PolarHBondContact O-N 2.99Å; I149-A152 PolarHBondContact O-N 3.29Å; I149-L153 HydrophobicContact CG2-CD1 4.01Å; I149-L153 VanDerWaalsContact O-CG 3.3Å; I149-L153 WeakPolarHBondContact O-CG 3.49Å; I149-L153 PolarHBondContact O-N 3.07Å; I149-I309 HydrophobicContact CD1-CD1 3.93Å; I149-I309 HydrophobicContact CG1-CD1 3.71Å
150R98.3Very high96.4Very high66 Ų6632.9 Ų32.925%0.24918%0.175CC..Hα-helixtrans-59.5-42.1179.8170.658.886.7150.44.7111.8V103 K107 K108 P110 L146 Q147 L153 Q154V103-R150 HydrophobicContact CG1-CB 3.87Å; K107-R150 PolarHBondContact O-NH2 3.4Å; K108-R150 PolarHBondContact O-NH2 2.79Å; P110-R150 HydrophobicContact CG-CB 3.58Å; P110-R150 HydrophobicContact CG-CG 3.96Å; L146-R150 WeakPolarHBondContact O-CB 3.19Å; L146-R150 PolarHBondContact O-N 2.97Å; Q147-R150 PolarHBondContact O-N 2.7Å; R150-L153 PolarHBondContact O-N 2.88Å; R150-Q154 VanDerWaalsContact O-CG 3.3Å; R150-Q154 WeakPolarHBondContact O-CG 3.39Å; R150-Q154 PolarHBondContact O-N 2.86Å
151K98.1Very high95.8Very high32 Ų3241.6 Ų41.614%0.13922%0.216CC..Hα-helixtrans-73.2-36.2-178.7-165.4163.6-79.5167.50112.3Q147 G148 I149 L153 Q154 H155 R297 F298 E302Q147-K151 WeakPolarHBondContact O-CB 3.23Å; Q147-K151 PolarHBondContact O-N 3.47Å; G148-K151 PolarHBondContact O-N 3.41Å; I149-K151 VanDerWaalsContact C-N 3.32Å; I149-K151 PolarHBondContact O-N 2.99Å; K151-L153 PolarHBondContact O-N 3.34Å; K151-Q154 PolarHBondContact O-N 3.39Å; K151-H155 PolarHBondContact O-CD2 2.97Å; K151-H155 PolarHBondContact O-N 3.39Å; K151-H155 VanDerWaalsContact O-N 3.09Å; K151-R297 PolarHBondContact NZ-O 3.34Å; K151-F298 HydrophobicContact CB-CD1 4.4Å; K151-F298 HydrophobicContact CB-CE1 3.93Å; K151-F298 HydrophobicContact CB-CE2 4.3Å; K151-F298 HydrophobicContact CB-CZ 3.87Å; K151-F298 HydrophobicContact CD-CB 4.3Å; K151-F298 HydrophobicContact CD-CD1 4.12Å; K151-F298 HydrophobicContact CD-CD2 3.7Å; K151-F298 HydrophobicContact CD-CE1 4.38Å; K151-F298 HydrophobicContact CD-CE2 4.01Å; K151-F298 HydrophobicContact CD-CG 3.77Å; K151-F298 HydrophobicContact CD-CZ 4.33Å; K151-F298 HydrophobicContact CG-CD1 4.36Å; K151-F298 HydrophobicContact CG-CD2 3.9Å; K151-F298 HydrophobicContact CG-CE1 4.11Å; K151-F298 HydrophobicContact CG-CE2 3.64Å; K151-F298 HydrophobicContact CG-CG 4.26Å; K151-F298 HydrophobicContact CG-CZ 3.75Å; K151-E302 WeakPolarHBondContact CD-OE2 3.2Å; K151-E302 WeakPolarHBondContact CE-OE2 3.4Å; K151-E302 IonicContact NZ-OE1 3.34Å; K151-E302 PolarHBondContact NZ-OE1 3.43Å; K151-E302 IonicContact NZ-OE2 3.23Å; K151-E302 PolarHBondContact NZ-OE2 3.4Å
152A97.4Very high95.4Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-59.5-43.5169.900000112.4G148 I149 H155 G156 F157 F298 W306G148-A152 WeakPolarHBondContact O-CB 3.21Å; G148-A152 PolarHBondContact O-N 3.01Å; I149-A152 PolarHBondContact O-N 3.29Å; A152-H155 PolarHBondContact O-N 3.16Å; A152-G156 PolarHBondContact O-N 3.13Å; A152-G156 VanDerWaalsContact O-N 3.16Å; A152-F157 HydrophobicContact CB-CB 4.1Å; A152-F157 HydrophobicContact CB-CD2 4.05Å; A152-F157 HydrophobicContact CB-CG 4.48Å; A152-F157 PolarHBondContact O-N 3.09Å; A152-F298 HydrophobicContact CB-CZ 4.49Å; A152-W306 HydrophobicContact CB-CD2 3.48Å; A152-W306 VanDerWaalsContact CB-CD2 3.48Å; A152-W306 HydrophobicContact CB-CE3 3.4Å; A152-W306 VanDerWaalsContact CB-CE3 3.4Å; A152-W306 HydrophobicContact CB-CG 4.27Å; A152-W306 HydrophobicContact CB-CH2 3.7Å; A152-W306 HydrophobicContact CB-CZ2 3.73Å; A152-W306 HydrophobicContact CB-CZ3 3.52Å
153L95.8Very high95.3Very high51 Ų5146 Ų4627%0.26724%0.24SC..Hα-helixtrans-64.5-41.5173.8-65.2165.3000112.2V103 I104 I149 R150 K151 H155 G156 F158V103-L153 HydrophobicContact CG1-CD1 4.19Å; I104-L153 HydrophobicContact CG1-CD1 3.7Å; I149-L153 HydrophobicContact CG2-CD1 4.01Å; I149-L153 VanDerWaalsContact O-CG 3.3Å; I149-L153 WeakPolarHBondContact O-CG 3.49Å; I149-L153 PolarHBondContact O-N 3.07Å; R150-L153 PolarHBondContact O-N 2.88Å; K151-L153 PolarHBondContact O-N 3.34Å; L153-H155 PolarHBondContact O-N 2.83Å; L153-G156 PolarHBondContact O-N 3.48Å; L153-F158 HydrophobicContact CD2-CD1 4.5Å
154Q96.2Very high95.2Very high119 Ų11948.4 Ų48.456%0.55625%0.253SS*.Hα-helixtrans-61-30.2177.4-77.2168.5-25.200113.1R150 K151R150-Q154 VanDerWaalsContact O-CG 3.3Å; R150-Q154 WeakPolarHBondContact O-CG 3.39Å; R150-Q154 PolarHBondContact O-N 2.86Å; K151-Q154 PolarHBondContact O-N 3.39Å
155H96.8Very high95.1Very high80 Ų8047.6 Ų47.637%0.3725%0.249SC..THydrogen-bonded Turntrans-100.59178.2-65-59.1000114.2K151 A152 L153 F157 Y296K151-H155 PolarHBondContact O-CD2 2.97Å; K151-H155 PolarHBondContact O-N 3.39Å; K151-H155 VanDerWaalsContact O-N 3.09Å; A152-H155 PolarHBondContact O-N 3.16Å; L153-H155 PolarHBondContact O-N 2.83Å; H155-F157 VanDerWaalsContact C-N 3.29Å; H155-F157 HydrophobicContact CB-CD1 3.86Å; H155-F157 HydrophobicContact CB-CE1 3.51Å; H155-F157 HydrophobicContact CB-CE2 4.41Å; H155-F157 HydrophobicContact CB-CG 4.44Å; H155-F157 HydrophobicContact CB-CZ 3.82Å; H155-F157 WeakPolarHBondContact O-CD1 3.31Å; H155-F157 PolarHBondContact O-N 3.45Å; H155-Y296 HydrophobicContact CB-CD1 4.02Å; H155-Y296 HydrophobicContact CB-CE1 4.44Å; H155-Y296 AromaticContact CG-CD1 3.7Å; H155-Y296 AromaticContact ND1-CD1 3.79Å; H155-Y296 PolarHBondContact NE2-O 2.63Å; H155-Y296 VanDerWaalsContact NE2-O 3.13Å
156G95.8Very high95Very high60 Ų6052.3 Ų52.362%0.61927%0.274SS*.THydrogen-bonded Turntrans6823.317700000114.5A152 L153 F158A152-G156 PolarHBondContact O-N 3.13Å; A152-G156 VanDerWaalsContact O-N 3.16Å; L153-G156 PolarHBondContact O-N 3.48Å; G156-F158 PolarHBondContact O-N 3.38Å
157F95.7Very high95Very high9 Ų954.4 Ų54.44%0.03928%0.284CS..SBendtrans-74.6-11.3178.9-61.7-7.9000113.3A152 H155 V183 P184 L292 Y296 F298 W306A152-F157 HydrophobicContact CB-CB 4.1Å; A152-F157 HydrophobicContact CB-CD2 4.05Å; A152-F157 HydrophobicContact CB-CG 4.48Å; A152-F157 PolarHBondContact O-N 3.09Å; H155-F157 VanDerWaalsContact C-N 3.29Å; H155-F157 HydrophobicContact CB-CD1 3.86Å; H155-F157 HydrophobicContact CB-CE1 3.51Å; H155-F157 HydrophobicContact CB-CE2 4.41Å; H155-F157 HydrophobicContact CB-CG 4.44Å; H155-F157 HydrophobicContact CB-CZ 3.82Å; H155-F157 WeakPolarHBondContact O-CD1 3.31Å; H155-F157 PolarHBondContact O-N 3.45Å; F157-V183 HydrophobicContact CD1-CG1 3.79Å; F157-V183 HydrophobicContact CD2-CG2 4.24Å; F157-V183 HydrophobicContact CE1-CG1 3.69Å; F157-V183 HydrophobicContact CE1-CG2 4.29Å; F157-V183 HydrophobicContact CE2-CG2 3.95Å; F157-V183 HydrophobicContact CG-CG1 4.38Å; F157-V183 HydrophobicContact CZ-CG1 4.2Å; F157-V183 HydrophobicContact CZ-CG2 3.98Å; F157-P184 WeakPolarHBondContact O-CD 3.41Å; F157-P184 WeakPolarHBondContact O-CG 3.39Å; F157-L292 HydrophobicContact CE2-CD2 3.83Å; F157-L292 HydrophobicContact CZ-CD2 4.16Å; F157-Y296 AromaticContact CE1-CD1 3.98Å; F157-Y296 HydrophobicContact CE1-CD1 3.98Å; F157-Y296 HydrophobicContact CE1-CD2 4.44Å; F157-Y296 AromaticContact CE1-CE1 3.66Å; F157-Y296 HydrophobicContact CE1-CE1 3.66Å; F157-Y296 HydrophobicContact CE1-CE2 4.12Å; F157-Y296 HydrophobicContact CE1-CG 4.35Å; F157-Y296 AromaticContact CE1-CZ 3.72Å; F157-Y296 AromaticContact CZ-CD1 3.68Å; F157-Y296 HydrophobicContact CZ-CD1 3.68Å; F157-Y296 AromaticContact CZ-CD2 3.61Å; F157-Y296 HydrophobicContact CZ-CD2 3.61Å; F157-Y296 AromaticContact CZ-CE1 3.74Å; F157-Y296 HydrophobicContact CZ-CE1 3.74Å; F157-Y296 AromaticContact CZ-CE2 3.64Å; F157-Y296 HydrophobicContact CZ-CE2 3.64Å; F157-Y296 AromaticContact CZ-CG 3.6Å; F157-Y296 HydrophobicContact CZ-CG 3.6Å; F157-Y296 AromaticContact CZ-CZ 3.71Å; F157-F298 HydrophobicContact CD2-CE2 4.47Å; F157-F298 HydrophobicContact CD2-CZ 4.09Å; F157-F298 AromaticContact CE2-CE2 3.6Å; F157-F298 HydrophobicContact CE2-CE2 3.6Å; F157-F298 AromaticContact CE2-CZ 3.62Å; F157-F298 HydrophobicContact CE2-CZ 3.62Å; F157-F298 HydrophobicContact CZ-CE2 4.21Å; F157-W306 HydrophobicContact CB-CZ2 3.83Å; F157-W306 HydrophobicContact CD2-CZ2 4.47Å; F157-W306 AromaticContact CD2-NE1 3.62Å
158F90.1Very high94.9Very high16 Ų1653.4 Ų53.47%0.0728%0.278CS..  trans-151128.1-178-169.5-135.8000110.6L56 L153 G156 F160 F163 W306L56-F158 HydrophobicContact CD1-CD1 3.91Å; L56-F158 HydrophobicContact CD1-CD2 3.99Å; L56-F158 HydrophobicContact CD1-CE1 3.54Å; L56-F158 HydrophobicContact CD1-CE2 3.67Å; L56-F158 HydrophobicContact CD1-CG 4.12Å; L56-F158 HydrophobicContact CD1-CZ 3.45Å; L56-F158 VanDerWaalsContact CD1-CZ 3.45Å; L56-F158 HydrophobicContact CD2-CD2 3.87Å; L56-F158 HydrophobicContact CD2-CE2 3.69Å; L56-F158 HydrophobicContact CD2-CZ 4.3Å; L56-F158 HydrophobicContact CG-CD2 4.2Å; L56-F158 HydrophobicContact CG-CE1 4.35Å; L56-F158 HydrophobicContact CG-CE2 3.64Å; L56-F158 HydrophobicContact CG-CZ 3.75Å; L153-F158 HydrophobicContact CD2-CD1 4.5Å; G156-F158 PolarHBondContact O-N 3.38Å; F158-F160 AromaticContact CD1-CD2 3.97Å; F158-F160 HydrophobicContact CD1-CD2 3.97Å; F158-F160 AromaticContact CD1-CE2 3.51Å; F158-F160 HydrophobicContact CD1-CE2 3.51Å; F158-F160 HydrophobicContact CD1-CZ 4.18Å; F158-F160 AromaticContact CE1-CD2 3.71Å; F158-F160 HydrophobicContact CE1-CD2 3.71Å; F158-F160 HydrophobicContact CE1-CE1 4.07Å; F158-F160 AromaticContact CE1-CE2 3.11Å; F158-F160 HydrophobicContact CE1-CE2 3.11Å; F158-F160 HydrophobicContact CE1-CG 4.39Å; F158-F160 AromaticContact CE1-CZ 3.33Å; F158-F160 HydrophobicContact CE1-CZ 3.33Å; F158-F160 HydrophobicContact CZ-CD2 4.4Å; F158-F160 HydrophobicContact CZ-CE1 4.39Å; F158-F160 HydrophobicContact CZ-CE2 4.07Å; F158-F160 HydrophobicContact CZ-CZ 4.07Å; F158-F163 HydrophobicContact CD2-CB 4.45Å; F158-F163 HydrophobicContact CD2-CD2 4.23Å; F158-F163 HydrophobicContact CD2-CG 4.37Å; F158-F163 HydrophobicContact CE2-CB 3.76Å; F158-F163 AromaticContact CE2-CD1 3.82Å; F158-F163 HydrophobicContact CE2-CD1 3.82Å; F158-F163 AromaticContact CE2-CD2 3.59Å; F158-F163 HydrophobicContact CE2-CD2 3.59Å; F158-F163 HydrophobicContact CE2-CE1 4.23Å; F158-F163 HydrophobicContact CE2-CE2 4.03Å; F158-F163 AromaticContact CE2-CG 3.45Å; F158-F163 HydrophobicContact CE2-CG 3.45Å; F158-F163 VanDerWaalsContact CE2-CG 3.45Å; F158-F163 HydrophobicContact CE2-CZ 4.32Å; F158-F163 HydrophobicContact CZ-CB 4.49Å; F158-F163 HydrophobicContact CZ-CD1 4.15Å; F158-F163 HydrophobicContact CZ-CE1 4.5Å; F158-F163 HydrophobicContact CZ-CG 4.21Å; F158-W306 HydrophobicContact CB-CH2 3.9Å; F158-W306 HydrophobicContact CG-CH2 4.36Å
159D88.3Confident94.8Very high77 Ų7755.2 Ų55.241%0.41229%0.287SS..  trans-127125.1174.8-177.5-6.6000108.3E161 T162 F163D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 2.83Å; D159-E161 PolarHBondContact OD1-N 2.6Å; D159-T162 WeakPolarHBondContact CB-OG1 3.31Å; D159-T162 PolarHBondContact OD2-OG1 3.31Å; D159-F163 VanDerWaalsContact O-CB 3.24Å; D159-F163 WeakPolarHBondContact O-CB 3.44Å; D159-F163 PolarHBondContact O-N 3.04Å; D159-F163 VanDerWaalsContact O-N 3.12Å
160F85.1Confident94.7Very high21 Ų2159 Ų599%0.09230%0.304CS..THydrogen-bonded Turntrans-74.3-15.2-179.1-87.3-96.9000113.5Y60 C63 I104 Y105 F158Y60-F160 AromaticContact CD2-CD1 3.64Å; Y60-F160 HydrophobicContact CD2-CD1 3.64Å; Y60-F160 AromaticContact CD2-CE1 3.96Å; Y60-F160 HydrophobicContact CD2-CE1 3.96Å; Y60-F160 HydrophobicContact CE2-CD1 4.09Å; C63-F160 HydrophobicContact CB-CD1 4.34Å; C63-F160 HydrophobicContact CB-CE1 3.64Å; C63-F160 HydrophobicContact CB-CZ 4.44Å; I104-F160 HydrophobicContact CB-CE2 4.15Å; I104-F160 HydrophobicContact CB-CZ 4.48Å; I104-F160 HydrophobicContact CD1-CE2 3.42Å; I104-F160 VanDerWaalsContact CD1-CE2 3.42Å; I104-F160 HydrophobicContact CD1-CZ 3.32Å; I104-F160 HydrophobicContact CG1-CE2 3.72Å; I104-F160 HydrophobicContact CG1-CZ 4.11Å; I104-F160 HydrophobicContact CG2-CD2 3.6Å; I104-F160 HydrophobicContact CG2-CE2 3.32Å; I104-F160 HydrophobicContact CG2-CG 4.3Å; I104-F160 HydrophobicContact CG2-CZ 3.83Å; Y105-F160 AromaticContact CE2-CD1 3.96Å; Y105-F160 HydrophobicContact CE2-CD1 3.96Å; Y105-F160 HydrophobicContact CE2-CE1 4Å; Y105-F160 HydrophobicContact CE2-CG 4.34Å; Y105-F160 HydrophobicContact CE2-CZ 4.42Å; Y105-F160 AromaticContact CZ-CD1 3.99Å; Y105-F160 WeakPolarHBondContact OH-CD1 3.44Å; F158-F160 AromaticContact CD1-CD2 3.97Å; F158-F160 HydrophobicContact CD1-CD2 3.97Å; F158-F160 AromaticContact CD1-CE2 3.51Å; F158-F160 HydrophobicContact CD1-CE2 3.51Å; F158-F160 HydrophobicContact CD1-CZ 4.18Å; F158-F160 AromaticContact CE1-CD2 3.71Å; F158-F160 HydrophobicContact CE1-CD2 3.71Å; F158-F160 HydrophobicContact CE1-CE1 4.07Å; F158-F160 AromaticContact CE1-CE2 3.11Å; F158-F160 HydrophobicContact CE1-CE2 3.11Å; F158-F160 HydrophobicContact CE1-CG 4.39Å; F158-F160 AromaticContact CE1-CZ 3.33Å; F158-F160 HydrophobicContact CE1-CZ 3.33Å; F158-F160 HydrophobicContact CZ-CD2 4.4Å; F158-F160 HydrophobicContact CZ-CE1 4.39Å; F158-F160 HydrophobicContact CZ-CE2 4.07Å; F158-F160 HydrophobicContact CZ-CZ 4.07Å
161E85.9Confident94.7Very high183 Ų18358.6 Ų58.686%0.85530%0.303SS*.THydrogen-bonded Turntrans-89.1-26.6-179.9-58.6-170.3176.200111.7D159D159-E161 VanDerWaalsContact C-N 3.26Å; D159-E161 PolarHBondContact O-N 2.83Å; D159-E161 PolarHBondContact OD1-N 2.6Å
162T90.6Very high94.6Very high107 Ų10758.9 Ų58.966%0.65631%0.305SS*.THydrogen-bonded Turntrans-112.5-2.5-176.666.40000114.6D159 D164D159-T162 WeakPolarHBondContact CB-OG1 3.31Å; D159-T162 PolarHBondContact OD2-OG1 3.31Å; T162-D164 PolarHBondContact O-N 2.64Å
163F95.7Very high94.3Very high38 Ų3861.9 Ų61.917%0.16732%0.316CS..  trans-71111.6179.9179.4-117.2000113.2L56 Y60 F158 D159 V165 Y168L56-F163 HydrophobicContact CB-CZ 4.48Å; L56-F163 HydrophobicContact CD2-CE2 3.83Å; L56-F163 HydrophobicContact CD2-CZ 4.01Å; L56-F163 HydrophobicContact CG-CE2 4.31Å; L56-F163 HydrophobicContact CG-CZ 4.01Å; Y60-F163 HydrophobicContact CD1-CD1 4.1Å; Y60-F163 HydrophobicContact CD1-CE1 4.37Å; Y60-F163 AromaticContact CD2-CD1 3.77Å; Y60-F163 HydrophobicContact CD2-CD1 3.77Å; Y60-F163 HydrophobicContact CE2-CD1 4.3Å; Y60-F163 AromaticContact CG-CD1 3.66Å; Y60-F163 HydrophobicContact CG-CD1 3.66Å; Y60-F163 HydrophobicContact CG-CE1 4.03Å; F158-F163 HydrophobicContact CD2-CB 4.45Å; F158-F163 HydrophobicContact CD2-CD2 4.23Å; F158-F163 HydrophobicContact CD2-CG 4.37Å; F158-F163 HydrophobicContact CE2-CB 3.76Å; F158-F163 AromaticContact CE2-CD1 3.82Å; F158-F163 HydrophobicContact CE2-CD1 3.82Å; F158-F163 AromaticContact CE2-CD2 3.59Å; F158-F163 HydrophobicContact CE2-CD2 3.59Å; F158-F163 HydrophobicContact CE2-CE1 4.23Å; F158-F163 HydrophobicContact CE2-CE2 4.03Å; F158-F163 AromaticContact CE2-CG 3.45Å; F158-F163 HydrophobicContact CE2-CG 3.45Å; F158-F163 VanDerWaalsContact CE2-CG 3.45Å; F158-F163 HydrophobicContact CE2-CZ 4.32Å; F158-F163 HydrophobicContact CZ-CB 4.49Å; F158-F163 HydrophobicContact CZ-CD1 4.15Å; F158-F163 HydrophobicContact CZ-CE1 4.5Å; F158-F163 HydrophobicContact CZ-CG 4.21Å; D159-F163 VanDerWaalsContact O-CB 3.24Å; D159-F163 WeakPolarHBondContact O-CB 3.44Å; D159-F163 PolarHBondContact O-N 3.04Å; D159-F163 VanDerWaalsContact O-N 3.12Å; F163-V165 HydrophobicContact CD1-CB 4.07Å; F163-V165 HydrophobicContact CE1-CB 3.78Å; F163-V165 HydrophobicContact CE1-CG2 4.03Å; F163-V165 PolarHBondContact O-N 3.06Å; F163-V165 VanDerWaalsContact O-N 3.16Å; F163-Y168 HydrophobicContact CE2-CD2 4.1Å; F163-Y168 HydrophobicContact CE2-CG 4.31Å; F163-Y168 AromaticContact CZ-CD2 3.86Å; F163-Y168 HydrophobicContact CZ-CD2 3.86Å; F163-Y168 AromaticContact CZ-CG 3.79Å; F163-Y168 HydrophobicContact CZ-CG 3.79Å
164D96.5Very high94Very high86 Ų8660.5 Ų60.546%0.4631%0.31SS..  trans-78.295.1168.9-165.8-23.5000110.8T162 D166 E167 Y168T162-D164 PolarHBondContact O-N 2.64Å; D164-D166 VanDerWaalsContact C-N 3.27Å; D164-D166 PolarHBondContact O-N 3.36Å; D164-D166 PolarHBondContact OD1-N 3.41Å; D164-E167 HydrophobicContact CB-CB 3.88Å; D164-E167 VanDerWaalsContact CG-CB 3.5Å; D164-E167 PolarHBondContact OD1-N 2.79Å; D164-Y168 PolarHBondContact O-N 3.22Å; D164-Y168 VanDerWaalsContact O-N 3.13Å
165V97.1Very high93.7Very high10 Ų1058 Ų586%0.06130%0.298CS..Hα-helixtrans-67.2-28176.266.30000112.8A57 Y60 R61 F163 E169A57-V165 HydrophobicContact CB-CG2 3.65Å; Y60-V165 HydrophobicContact CD1-CB 3.65Å; Y60-V165 HydrophobicContact CD1-CG1 3.95Å; Y60-V165 HydrophobicContact CD1-CG2 3.86Å; Y60-V165 HydrophobicContact CE1-CB 3.83Å; Y60-V165 HydrophobicContact CE1-CG1 3.69Å; Y60-V165 HydrophobicContact CE1-CG2 4.47Å; R61-V165 HydrophobicContact CG-CG2 4.2Å; F163-V165 HydrophobicContact CD1-CB 4.07Å; F163-V165 HydrophobicContact CE1-CB 3.78Å; F163-V165 HydrophobicContact CE1-CG2 4.03Å; F163-V165 PolarHBondContact O-N 3.06Å; F163-V165 VanDerWaalsContact O-N 3.16Å; V165-E169 HydrophobicContact CG2-CG 4.42Å; V165-E169 WeakPolarHBondContact O-CB 3.35Å; V165-E169 WeakPolarHBondContact O-CG 3.3Å; V165-E169 PolarHBondContact O-N 2.98Å
166D97.4Very high93.5Very high100 Ų10056.4 Ų56.454%0.53529%0.293SS..Hα-helixtrans-82.9-33.2-176.9-63.1-29.3000110R61 D164 H170R61-D166 IonicContact CZ-OD1 2.74Å; R61-D166 IonicContact NH1-OD1 3.96Å; R61-D166 IonicContact NH2-OD1 3.26Å; R61-D166 PolarHBondContact NH2-OD1 3.36Å; D164-D166 VanDerWaalsContact C-N 3.27Å; D164-D166 PolarHBondContact O-N 3.36Å; D164-D166 PolarHBondContact OD1-N 3.41Å; D166-H170 WeakPolarHBondContact O-CB 3.43Å; D166-H170 PolarHBondContact O-N 2.88Å
167E97.3Very high93.4Very high44 Ų4453.7 Ų53.721%0.20627%0.265CS..Hα-helixtrans-60.6-47164.6-171.5178.612200110.6D164 H170 Y171 Y214 K217 H218D164-E167 HydrophobicContact CB-CB 3.88Å; D164-E167 VanDerWaalsContact CG-CB 3.5Å; D164-E167 PolarHBondContact OD1-N 2.79Å; E167-H170 PolarHBondContact O-N 2.88Å; E167-Y171 HydrophobicContact CG-CD2 3.57Å; E167-Y171 HydrophobicContact CG-CE2 3.79Å; E167-Y171 WeakPolarHBondContact O-CD2 3.18Å; E167-Y171 PolarHBondContact O-N 3.38Å; E167-Y214 HydrophobicContact CG-CE2 4.48Å; E167-Y214 WeakPolarHBondContact OE1-CE2 3.45Å; E167-Y214 PolarHBondContact OE1-OH 3.26Å; E167-K217 IonicContact OE2-NZ 2.6Å; E167-K217 PolarHBondContact OE2-NZ 3.08Å; E167-H218 IonicContact OE1-CE1 2.64Å; E167-H218 PolarHBondContact OE1-CE1 2.98Å; E167-H218 IonicContact OE1-ND1 3.04Å; E167-H218 IonicContact OE1-NE2 3.18Å; E167-H218 IonicContact OE2-CE1 3.08Å; E167-H218 PolarHBondContact OE2-CE1 3.34Å; E167-H218 IonicContact OE2-NE2 2.64Å
168Y98Very high93.4Very high19 Ų1953.5 Ų53.58%0.07526%0.264CS..Hα-helixtrans-58.9-51.4177.2176.7-75.7000112.1N55 L56 A57 F163 D164 H170 Y171 E172 N180 C310N55-Y168 WeakPolarHBondContact CB-OH 3.37Å; N55-Y168 PolarHBondContact ND2-OH 3.48Å; L56-Y168 HydrophobicContact CB-CE2 4.04Å; A57-Y168 HydrophobicContact CB-CD1 3.51Å; A57-Y168 HydrophobicContact CB-CE1 3.67Å; A57-Y168 HydrophobicContact CB-CG 4.42Å; F163-Y168 HydrophobicContact CE2-CD2 4.1Å; F163-Y168 HydrophobicContact CE2-CG 4.31Å; F163-Y168 AromaticContact CZ-CD2 3.86Å; F163-Y168 HydrophobicContact CZ-CD2 3.86Å; F163-Y168 AromaticContact CZ-CG 3.79Å; F163-Y168 HydrophobicContact CZ-CG 3.79Å; D164-Y168 PolarHBondContact O-N 3.22Å; D164-Y168 VanDerWaalsContact O-N 3.13Å; Y168-H170 VanDerWaalsContact C-N 3.26Å; Y168-H170 PolarHBondContact O-N 3.23Å; Y168-Y171 PolarHBondContact O-N 2.81Å; Y168-E172 HydrophobicContact CE1-CB 4.35Å; Y168-E172 VanDerWaalsContact CE1-CD 3.48Å; Y168-E172 HydrophobicContact CE1-CG 4.36Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.36Å; Y168-E172 WeakPolarHBondContact O-CB 3.42Å; Y168-E172 PolarHBondContact O-N 2.83Å; Y168-N180 WeakPolarHBondContact CE2-ND2 3.26Å; Y168-C310 WeakPolarHBondContact CE2-O 3.49Å; Y168-C310 PolarHBondContact OH-O 3.01Å; Y168-C310 VanDerWaalsContact OH-O 3.11Å
169E97.1Very high93.7Very high38 Ų3852.9 Ų52.918%0.17826%0.261CS..Hα-helixtrans-72.7-17.6-178.1-75.3-175.7-179.500113.2A57 R61 V165 R173A57-E169 HydrophobicContact CB-CG 3.79Å; R61-E169 IonicContact CZ-OE1 3.64Å; R61-E169 IonicContact CZ-OE2 2.68Å; R61-E169 IonicContact NE-OE1 3Å; R61-E169 PolarHBondContact NE-OE1 2.99Å; R61-E169 IonicContact NE-OE2 2.76Å; R61-E169 IonicContact NH2-OE1 3.63Å; R61-E169 PolarHBondContact NH2-OE1 2.9Å; R61-E169 IonicContact NH2-OE2 3.47Å; R61-E169 PolarHBondContact NH2-OE2 3.37Å; V165-E169 HydrophobicContact CG2-CG 4.42Å; V165-E169 WeakPolarHBondContact O-CB 3.35Å; V165-E169 WeakPolarHBondContact O-CG 3.3Å; V165-E169 PolarHBondContact O-N 2.98Å; E169-R173 VanDerWaalsContact O-CG 3.31Å; E169-R173 WeakPolarHBondContact O-CG 3.3Å; E169-R173 PolarHBondContact O-NE 2.91Å
170H96.3Very high94.2Very high82 Ų8249.4 Ų49.438%0.3824%0.243SC..Hα-helixtrans-73.5-57.7167.7-178.486.4000110D166 E167 Y168 R173 N176D166-H170 WeakPolarHBondContact O-CB 3.43Å; D166-H170 PolarHBondContact O-N 2.88Å; E167-H170 PolarHBondContact O-N 2.88Å; Y168-H170 VanDerWaalsContact C-N 3.26Å; Y168-H170 PolarHBondContact O-N 3.23Å; H170-R173 WeakPolarHBondContact O-CB 3.42Å; H170-R173 WeakPolarHBondContact O-CG 3.22Å; H170-R173 PolarHBondContact O-N 3.39Å; H170-N176 VanDerWaalsContact CE1-CG 3.44Å; H170-N176 PolarHBondContact CE1-ND2 3.41Å; H170-N176 PolarHBondContact ND1-ND2 3.01Å; H170-N176 VanDerWaalsContact O-CB 3.31Å; H170-N176 WeakPolarHBondContact O-CB 3.35Å; H170-N176 PolarHBondContact O-ND2 2.84Å
171Y97.3Very high94.8Very high59 Ų5950.6 Ų50.623%0.23125%0.247CC..Hα-helixtrans-78.7-18.8-170-78.3-67.3000115.2E167 Y168 R173 N176 D178 L179 Y214E167-Y171 HydrophobicContact CG-CD2 3.57Å; E167-Y171 HydrophobicContact CG-CE2 3.79Å; E167-Y171 WeakPolarHBondContact O-CD2 3.18Å; E167-Y171 PolarHBondContact O-N 3.38Å; Y168-Y171 PolarHBondContact O-N 2.81Å; Y171-R173 PolarHBondContact O-N 2.9Å; Y171-N176 HydrophobicContact CD1-CB 4.38Å; Y171-N176 WeakPolarHBondContact CD1-O 3.28Å; Y171-D178 PolarHBondContact O-N 2.49Å; Y171-L179 CarbonylContact C-O 3.6Å; Y171-L179 HydrophobicContact CD1-CD1 4.02Å; Y171-L179 HydrophobicContact CD1-CD2 3.99Å; Y171-L179 HydrophobicContact CD1-CG 4.07Å; Y171-L179 HydrophobicContact CG-CD1 3.89Å; Y171-L179 HydrophobicContact CG-CG 4.29Å; Y171-L179 PolarHBondContact O-N 3.28Å; Y171-Y214 HydrophobicContact CD1-CD2 4.45Å; Y171-Y214 HydrophobicContact CD2-CD2 4.21Å; Y171-Y214 AromaticContact CD2-CE2 3.69Å; Y171-Y214 HydrophobicContact CD2-CE2 3.69Å; Y171-Y214 AromaticContact CE1-CD2 3.84Å; Y171-Y214 HydrophobicContact CE1-CD2 3.84Å; Y171-Y214 HydrophobicContact CE1-CE2 4.29Å; Y171-Y214 HydrophobicContact CE1-CG 4.26Å; Y171-Y214 AromaticContact CE2-CD2 3.56Å; Y171-Y214 HydrophobicContact CE2-CD2 3.56Å; Y171-Y214 AromaticContact CE2-CE2 3.34Å; Y171-Y214 HydrophobicContact CE2-CE2 3.34Å; Y171-Y214 HydrophobicContact CG-CE2 4.29Å; Y171-Y214 AromaticContact CZ-CD2 3.35Å; Y171-Y214 AromaticContact CZ-CE2 3.69Å; Y171-Y214 WeakPolarHBondContact OH-CD2 3.29Å
172E95.4Very high95.4Very high37 Ų3742 Ų4217%0.17321%0.206CC..THydrogen-bonded Turntrans-66.7-15.2173.982.1175.1136.300113.3N55 Y168 N180 K423N55-E172 PolarHBondContact ND2-OE1 3.08Å; N55-E172 PolarHBondContact ND2-OE2 2.64Å; Y168-E172 HydrophobicContact CE1-CB 4.35Å; Y168-E172 VanDerWaalsContact CE1-CD 3.48Å; Y168-E172 HydrophobicContact CE1-CG 4.36Å; Y168-E172 WeakPolarHBondContact CE1-OE1 3.36Å; Y168-E172 WeakPolarHBondContact O-CB 3.42Å; Y168-E172 PolarHBondContact O-N 2.83Å; E172-N180 VanDerWaalsContact CB-ND2 3.34Å; E172-N180 WeakPolarHBondContact CB-ND2 3.17Å; E172-K423 WeakPolarHBondContact O-CE 3.42Å; E172-K423 PolarHBondContact O-NZ 3.18Å
173R91.8Very high95.8Very high63 Ų6337.1 Ų37.124%0.23818%0.176CC..SBendtrans-82.6149.9-176.6-50.3-173.8-175.3-154.2-6112.7E169 H170 Y171 E175 N176 G177 D178 R429E169-R173 VanDerWaalsContact O-CG 3.31Å; E169-R173 WeakPolarHBondContact O-CG 3.3Å; E169-R173 PolarHBondContact O-NE 2.91Å; H170-R173 WeakPolarHBondContact O-CB 3.42Å; H170-R173 WeakPolarHBondContact O-CG 3.22Å; H170-R173 PolarHBondContact O-N 3.39Å; Y171-R173 PolarHBondContact O-N 2.9Å; R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 HydrophobicContact CB-CG 4.15Å; R173-E175 WeakPolarHBondContact CB-OE2 3.35Å; R173-E175 WeakPolarHBondContact CD-OE1 3.41Å; R173-E175 IonicContact NH1-OE1 3.17Å; R173-E175 PolarHBondContact O-N 2.87Å; R173-N176 PolarHBondContact O-N 3.27Å; R173-G177 PolarHBondContact O-N 3.32Å; R173-D178 WeakPolarHBondContact O-CA 3.18Å; R173-D178 PolarHBondContact O-N 3.47Å; R173-R429 PolarHBondContact NH2-O 3.38Å; R173-R429 VanDerWaalsContact NH2-O 3.13Å
174V89.6Confident95.8Very high23 Ų2338.8 Ų38.814%0.13919%0.191CC..G310 helixtrans-65.3-37.4-179.2-1780000111.3N176 G177 D178 H206 K423V174-N176 PolarHBondContact O-N 3.4Å; V174-G177 PolarHBondContact O-N 3.19Å; V174-D178 HydrophobicContact CG2-CB 4.5Å; V174-H206 PolarHBondContact O-NE2 3.11Å; V174-K423 HydrophobicContact CG2-CB 4.1Å; V174-K423 HydrophobicContact CG2-CD 4.12Å; V174-K423 HydrophobicContact CG2-CG 3.78Å
175E89.8Confident95.8Very high67 Ų6737.2 Ų37.231%0.31320%0.195SC..G310 helixtrans-60.5-26177.560.6-92.2-147.400114.4R173 P204 H206R173-E175 VanDerWaalsContact C-N 3.31Å; R173-E175 HydrophobicContact CB-CG 4.15Å; R173-E175 WeakPolarHBondContact CB-OE2 3.35Å; R173-E175 WeakPolarHBondContact CD-OE1 3.41Å; R173-E175 IonicContact NH1-OE1 3.17Å; R173-E175 PolarHBondContact O-N 2.87Å; E175-P204 HydrophobicContact CB-CG 3.96Å; E175-H206 PolarHBondContact O-CE1 3.07Å; E175-H206 PolarHBondContact O-NE2 3.47Å; E175-H206 VanDerWaalsContact O-NE2 3.07Å
176N93.3Very high95.8Very high46 Ų4638.4 Ų38.425%0.24620%0.2CC..G310 helixtrans-110.78.7-174.5-54.8-38.5000113.7H170 Y171 R173 V174H170-N176 VanDerWaalsContact CE1-CG 3.44Å; H170-N176 PolarHBondContact CE1-ND2 3.41Å; H170-N176 PolarHBondContact ND1-ND2 3.01Å; H170-N176 VanDerWaalsContact O-CB 3.31Å; H170-N176 WeakPolarHBondContact O-CB 3.35Å; H170-N176 PolarHBondContact O-ND2 2.84Å; Y171-N176 HydrophobicContact CD1-CB 4.38Å; Y171-N176 WeakPolarHBondContact CD1-O 3.28Å; R173-N176 PolarHBondContact O-N 3.27Å; V174-N176 PolarHBondContact O-N 3.4Å
177G92.3Very high95.9Very high3 Ų333.7 Ų33.73%0.03117%0.174CC..THydrogen-bonded Turntrans116.2-5.8173.100000115.9R173 V174 Y211R173-G177 PolarHBondContact O-N 3.32Å; V174-G177 PolarHBondContact O-N 3.19Å; G177-Y211 WeakPolarHBondContact O-CE1 3.42Å; G177-Y211 PolarHBondContact O-OH 2.92Å
178D95.8Very high96Very high4 Ų431.6 Ų31.62%0.02117%0.165CC..  trans50.862.1176.5178.617.4000112.4Y171 R173 V174 F190 S191 R311 K423Y171-D178 PolarHBondContact O-N 2.49Å; R173-D178 WeakPolarHBondContact O-CA 3.18Å; R173-D178 PolarHBondContact O-N 3.47Å; V174-D178 HydrophobicContact CG2-CB 4.5Å; D178-F190 VanDerWaalsContact O-CA 3.31Å; D178-F190 WeakPolarHBondContact O-CA 3.43Å; D178-S191 PolarHBondContact O-N 3.05Å; D178-S191 VanDerWaalsContact O-N 3.08Å; D178-S191 VanDerWaalsContact OD2-CB 3.23Å; D178-S191 WeakPolarHBondContact OD2-CB 3.41Å; D178-S191 PolarHBondContact OD2-OG 2.9Å; D178-R311 VanDerWaalsContact CG-NH2 3.29Å; D178-R311 PolarHBondContact O-NH1 3.14Å; D178-R311 PolarHBondContact O-NH2 2.8Å; D178-R311 IonicContact OD1-CZ 2.81Å; D178-R311 VanDerWaalsContact OD1-CZ 3.23Å; D178-R311 IonicContact OD1-NH1 2.74Å; D178-R311 PolarHBondContact OD1-NH1 3.33Å; D178-R311 IonicContact OD1-NH2 3.38Å; D178-R311 PolarHBondContact OD1-NH2 3.02Å; D178-R311 IonicContact OD2-NH2 3.47Å; D178-R311 PolarHBondContact OD2-NH2 2.75Å; D178-K423 WeakPolarHBondContact OD1-CE 3.29Å; D178-K423 IonicContact OD1-NZ 3.96Å; D178-K423 PolarHBondContact OD1-NZ 3.3Å
179L97.3Very high96Very high4 Ų430.8 Ų30.82%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-133.1144-174.863.993.7000112.7Y171 L188 A189 F190 Y211 Y214Y171-L179 CarbonylContact C-O 3.6Å; Y171-L179 HydrophobicContact CD1-CD1 4.02Å; Y171-L179 HydrophobicContact CD1-CD2 3.99Å; Y171-L179 HydrophobicContact CD1-CG 4.07Å; Y171-L179 HydrophobicContact CG-CD1 3.89Å; Y171-L179 HydrophobicContact CG-CG 4.29Å; Y171-L179 PolarHBondContact O-N 3.28Å; L179-L188 HydrophobicContact CB-CD1 4.38Å; L179-L188 HydrophobicContact CD1-CD1 3.77Å; L179-L188 HydrophobicContact CD1-CD2 4.29Å; L179-L188 HydrophobicContact CD1-CG 4.48Å; L179-A189 WeakPolarHBondContact CA-O 3.43Å; L179-F190 HydrophobicContact CB-CB 3.54Å; L179-Y211 HydrophobicContact CD2-CD1 4.06Å; L179-Y211 HydrophobicContact CD2-CE1 4.2Å; L179-Y214 HydrophobicContact CD1-CD1 3.96Å; L179-Y214 HydrophobicContact CD1-CE1 3.49Å; L179-Y214 VanDerWaalsContact CD1-CE1 3.49Å; L179-Y214 HydrophobicContact CD2-CD1 4.3Å
180N98.6Very high96.1Very high4 Ų429 Ų292%0.02115%0.153CC..EExtended strand (participates in β ladder)trans-143.2142.1177.3-59.195.5000110.8Y168 E172 A189 C310 R311Y168-N180 WeakPolarHBondContact CE2-ND2 3.26Å; E172-N180 VanDerWaalsContact CB-ND2 3.34Å; E172-N180 WeakPolarHBondContact CB-ND2 3.17Å; N180-A189 PolarHBondContact N-O 3.5Å; N180-A189 PolarHBondContact O-N 3.37Å; N180-C310 VanDerWaalsContact CB-O 3.28Å; N180-C310 WeakPolarHBondContact CB-O 3.14Å; N180-C310 PolarHBondContact ND2-O 3.02Å; N180-R311 HydrophobicContact CB-CB 4.06Å; N180-R311 HydrophobicContact CB-CG 4.37Å; N180-R311 WeakPolarHBondContact OD1-CG 3.38Å; N180-R311 PolarHBondContact OD1-NH1 3.24Å
181W98.6Very high96Very high46 Ų4625.5 Ų25.517%0.17414%0.138CC..EExtended strand (participates in β ladder)trans-72.8131.4167.8-71.897.2000110.5L188 Y214 H218 V220 A272 C310W181-L188 HydrophobicContact CD2-CB 4.45Å; W181-L188 HydrophobicContact CD2-CD1 3.8Å; W181-L188 HydrophobicContact CE3-CB 4.19Å; W181-L188 HydrophobicContact CE3-CD1 4.38Å; W181-L188 HydrophobicContact CG-CD1 3.96Å; W181-L188 HydrophobicContact CH2-CB 4.23Å; W181-L188 HydrophobicContact CZ2-CB 4.44Å; W181-L188 HydrophobicContact CZ2-CD1 4.14Å; W181-L188 HydrophobicContact CZ3-CB 4.1Å; W181-Y214 HydrophobicContact CZ2-CE1 4.45Å; W181-Y214 AromaticContact NE1-CZ 3.87Å; W181-Y214 PolarHBondContact NE1-OH 3.22Å; W181-H218 HydrophobicContact CH2-CB 4.3Å; W181-H218 HydrophobicContact CZ2-CB 3.65Å; W181-V220 HydrophobicContact CH2-CG2 4.38Å; W181-A272 HydrophobicContact CH2-CB 3.68Å; W181-A272 HydrophobicContact CZ3-CB 3.84Å; W181-C310 WeakPolarHBondContact O-CB 3.39Å
182I98.7Very high96Very high1 Ų122.8 Ų22.81%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-102.1-34.6171.9-51.4-55.6000110.5F187 A189 I288 L292 W306 I307 C310 R311I182-F187 HydrophobicContact CB-CB 4.3Å; I182-F187 PolarHBondContact N-O 2.87Å; I182-A189 HydrophobicContact CD1-CB 4.05Å; I182-A189 HydrophobicContact CG1-CB 3.75Å; I182-I288 HydrophobicContact CB-CG2 4.25Å; I182-I288 HydrophobicContact CG1-CD1 4.16Å; I182-I288 HydrophobicContact CG2-CG2 3.76Å; I182-L292 HydrophobicContact CG2-CD1 4.46Å; I182-W306 PolarHBondContact O-NE1 2.93Å; I182-I307 HydrophobicContact CD1-CG2 4.14Å; I182-I307 HydrophobicContact CG2-CG1 3.79Å; I182-C310 HydrophobicContact CD1-CB 3.63Å; I182-R311 HydrophobicContact CD1-CB 3.89Å
183V98.2Very high96Very high5 Ų521 Ų213%0.0312%0.12CC..EExtended strand (participates in β ladder)trans-137.2110.4169.4-179.70000106.2F157 G185 K186 F187 L292F157-V183 HydrophobicContact CD1-CG1 3.79Å; F157-V183 HydrophobicContact CD2-CG2 4.24Å; F157-V183 HydrophobicContact CE1-CG1 3.69Å; F157-V183 HydrophobicContact CE1-CG2 4.29Å; F157-V183 HydrophobicContact CE2-CG2 3.95Å; F157-V183 HydrophobicContact CG-CG1 4.38Å; F157-V183 HydrophobicContact CZ-CG1 4.2Å; F157-V183 HydrophobicContact CZ-CG2 3.98Å; V183-G185 PolarHBondContact O-N 3.35Å; V183-K186 HydrophobicContact CB-CB 4.24Å; V183-K186 HydrophobicContact CG1-CB 3.91Å; V183-K186 PolarHBondContact O-N 3.38Å; V183-F187 HydrophobicContact CB-CB 4.25Å; V183-F187 HydrophobicContact CB-CD2 4.25Å; V183-F187 HydrophobicContact CG2-CD2 4.16Å; V183-F187 PolarHBondContact N-O 3.17Å; V183-F187 PolarHBondContact O-N 3.05Å; V183-L292 HydrophobicContact CG2-CD2 3.65Å
184P95.8Very high96.1Very high74 Ų7420 Ų2048%0.48112%0.118SC..THydrogen-bonded Turntrans-51.1134-179-28.435.6000112.1F157 K186F157-P184 WeakPolarHBondContact O-CD 3.41Å; F157-P184 WeakPolarHBondContact O-CG 3.39Å; P184-K186 PolarHBondContact O-N 2.93Å
185G95.8Very high96.3Very high53 Ų5322.1 Ų22.155%0.54613%0.132SC..THydrogen-bonded Turntrans68.2-2.2-178.300000116V183 A272V183-G185 PolarHBondContact O-N 3.35Å; G185-A272 WeakPolarHBondContact O-CB 3.41Å
186K98.3Very high96.4Very high35 Ų3526.7 Ų26.715%0.15215%0.151CC..THydrogen-bonded Turntrans-125.1-44.2176.5-167.160.6-176.7173.50115.9V183 P184 C266 A269 G271 V273V183-K186 HydrophobicContact CB-CB 4.24Å; V183-K186 HydrophobicContact CG1-CB 3.91Å; V183-K186 PolarHBondContact O-N 3.38Å; P184-K186 PolarHBondContact O-N 2.93Å; K186-C266 WeakPolarHBondContact CE-O 3.38Å; K186-C266 PolarHBondContact NZ-O 3.41Å; K186-A269 PolarHBondContact NZ-O 3.48Å; K186-G271 PolarHBondContact NZ-O 2.94Å; K186-V273 PolarHBondContact O-N 3.37Å
187F98.8Very high96.4Very high0 Ų028 Ų280%016%0.164CC..EExtended strand (participates in β ladder)trans-130.7116.7-177.4-76.9-69.9000112.9I182 V183 F262 C266 V273 V275 I288 Y291I182-F187 HydrophobicContact CB-CB 4.3Å; I182-F187 PolarHBondContact N-O 2.87Å; V183-F187 HydrophobicContact CB-CB 4.25Å; V183-F187 HydrophobicContact CB-CD2 4.25Å; V183-F187 HydrophobicContact CG2-CD2 4.16Å; V183-F187 PolarHBondContact N-O 3.17Å; V183-F187 PolarHBondContact O-N 3.05Å; F187-F262 HydrophobicContact CE1-CE1 4.37Å; F187-F262 AromaticContact CE1-CZ 3.8Å; F187-F262 HydrophobicContact CE1-CZ 3.8Å; F187-F262 HydrophobicContact CZ-CE1 4.49Å; F187-F262 HydrophobicContact CZ-CZ 4.35Å; F187-C266 HydrophobicContact CE1-CB 4.26Å; F187-C266 VanDerWaalsContact CE1-SG 3.59Å; F187-C266 HydrophobicContact CZ-CB 3.83Å; F187-V273 HydrophobicContact CD1-CB 4.25Å; F187-V273 HydrophobicContact CE1-CB 4.14Å; F187-V275 HydrophobicContact CD1-CG2 4.17Å; F187-V275 HydrophobicContact CE1-CG2 4.37Å; F187-I288 HydrophobicContact CB-CD1 4.43Å; F187-I288 HydrophobicContact CB-CG2 4.29Å; F187-I288 HydrophobicContact CD1-CD1 4.34Å; F187-I288 HydrophobicContact CD1-CG1 3.94Å; F187-I288 HydrophobicContact CD1-CG2 4.46Å; F187-I288 HydrophobicContact CD2-CG2 4.35Å; F187-I288 HydrophobicContact CE1-CG1 4.39Å; F187-I288 HydrophobicContact CG-CG1 4.37Å; F187-I288 HydrophobicContact CG-CG2 4.11Å; F187-Y291 HydrophobicContact CD2-CD1 4.46Å; F187-Y291 AromaticContact CE2-CD1 3.45Å; F187-Y291 HydrophobicContact CE2-CD1 3.45Å; F187-Y291 VanDerWaalsContact CE2-CD1 3.45Å; F187-Y291 AromaticContact CE2-CD2 3.89Å; F187-Y291 HydrophobicContact CE2-CD2 3.89Å; F187-Y291 AromaticContact CE2-CE1 3.73Å; F187-Y291 HydrophobicContact CE2-CE1 3.73Å; F187-Y291 HydrophobicContact CE2-CE2 4.14Å; F187-Y291 AromaticContact CE2-CG 3.53Å; F187-Y291 HydrophobicContact CE2-CG 3.53Å; F187-Y291 HydrophobicContact CZ-CD1 4.06Å; F187-Y291 AromaticContact CZ-CD2 3.63Å; F187-Y291 HydrophobicContact CZ-CD2 3.63Å; F187-Y291 HydrophobicContact CZ-CE1 4.42Å; F187-Y291 HydrophobicContact CZ-CE2 4.03Å; F187-Y291 AromaticContact CZ-CG 3.63Å; F187-Y291 HydrophobicContact CZ-CG 3.63Å
188L98.8Very high96.2Very high0 Ų034.8 Ų34.80%019%0.188CC..EExtended strand (participates in β ladder)trans-109121.2169.7-173.673.1000109.2L179 W181 Y214 F215 V220 V273 A274 V275L179-L188 HydrophobicContact CB-CD1 4.38Å; L179-L188 HydrophobicContact CD1-CD1 3.77Å; L179-L188 HydrophobicContact CD1-CD2 4.29Å; L179-L188 HydrophobicContact CD1-CG 4.48Å; W181-L188 HydrophobicContact CD2-CB 4.45Å; W181-L188 HydrophobicContact CD2-CD1 3.8Å; W181-L188 HydrophobicContact CE3-CB 4.19Å; W181-L188 HydrophobicContact CE3-CD1 4.38Å; W181-L188 HydrophobicContact CG-CD1 3.96Å; W181-L188 HydrophobicContact CH2-CB 4.23Å; W181-L188 HydrophobicContact CZ2-CB 4.44Å; W181-L188 HydrophobicContact CZ2-CD1 4.14Å; W181-L188 HydrophobicContact CZ3-CB 4.1Å; L188-Y214 HydrophobicContact CD1-CE1 4.32Å; L188-Y214 HydrophobicContact CD2-CD1 4.3Å; L188-Y214 HydrophobicContact CD2-CE1 4.1Å; L188-F215 HydrophobicContact CD2-CD1 4.01Å; L188-F215 HydrophobicContact CD2-CE1 3.5Å; L188-F215 VanDerWaalsContact CD2-CE1 3.5Å; L188-F215 HydrophobicContact CD2-CZ 4.33Å; L188-V220 HydrophobicContact CD2-CG2 4.48Å; L188-V273 PolarHBondContact N-O 3.45Å; L188-A274 HydrophobicContact CB-CB 4.39Å; L188-A274 HydrophobicContact CD2-CB 4.4Å; L188-A274 CarbonylContact O-C 3.59Å; L188-A274 WeakPolarHBondContact O-CA 3.24Å; L188-V275 PolarHBondContact O-N 2.74Å
189A98.8Very high95.8Very high2 Ų240.8 Ų40.82%0.01722%0.219CC..EExtended strand (participates in β ladder)trans-100.5127.4175.400000109.6L179 N180 I182 T284 I288L179-A189 WeakPolarHBondContact CA-O 3.43Å; N180-A189 PolarHBondContact N-O 3.5Å; N180-A189 PolarHBondContact O-N 3.37Å; I182-A189 HydrophobicContact CD1-CB 4.05Å; I182-A189 HydrophobicContact CG1-CB 3.75Å; A189-T284 HydrophobicContact CB-CG2 3.68Å; A189-I288 HydrophobicContact CB-CD1 4.03Å
190F98.3Very high94.9Very high0 Ų044.2 Ų44.20%024%0.235CC..EExtended strand (participates in β ladder)trans-143.5166.5-176.275.9-71.1000114.5D178 L179 P193 Y211 F215 I223 A274 V275 H276 G280D178-F190 VanDerWaalsContact O-CA 3.31Å; D178-F190 WeakPolarHBondContact O-CA 3.43Å; L179-F190 HydrophobicContact CB-CB 3.54Å; F190-P193 HydrophobicContact CE2-CG 3.84Å; F190-Y211 AromaticContact CD2-CD1 3.95Å; F190-Y211 HydrophobicContact CD2-CD1 3.95Å; F190-Y211 AromaticContact CD2-CE1 3.58Å; F190-Y211 HydrophobicContact CD2-CE1 3.58Å; F190-Y211 AromaticContact CD2-CZ 3.94Å; F190-Y211 HydrophobicContact CE2-CD1 4.17Å; F190-Y211 HydrophobicContact CE2-CD2 4.49Å; F190-Y211 HydrophobicContact CE2-CE1 4.08Å; F190-Y211 HydrophobicContact CE2-CE2 4.42Å; F190-Y211 HydrophobicContact CE2-CG 4.37Å; F190-F215 HydrophobicContact CD1-CZ 4.24Å; F190-F215 HydrophobicContact CD2-CZ 4.27Å; F190-F215 HydrophobicContact CE1-CE2 4.45Å; F190-F215 AromaticContact CE1-CZ 3.91Å; F190-F215 HydrophobicContact CE1-CZ 3.91Å; F190-F215 AromaticContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CG-CZ 4.42Å; F190-F215 HydrophobicContact CZ-CE2 4.1Å; F190-F215 AromaticContact CZ-CZ 3.73Å; F190-F215 HydrophobicContact CZ-CZ 3.73Å; F190-I223 HydrophobicContact CZ-CG2 4.38Å; F190-A274 HydrophobicContact CD1-CB 4.07Å; F190-A274 HydrophobicContact CE1-CB 3.65Å; F190-V275 PolarHBondContact N-O 2.9Å; F190-H276 HydrophobicContact CD1-CB 3.81Å; F190-H276 HydrophobicContact CD2-CB 4.32Å; F190-H276 HydrophobicContact CE1-CB 3.66Å; F190-H276 AromaticContact CE1-CD2 3.87Å; F190-H276 HydrophobicContact CE2-CB 4.22Å; F190-H276 HydrophobicContact CG-CB 4.13Å; F190-H276 HydrophobicContact CZ-CB 3.89Å; F190-H276 AromaticContact CZ-CD2 3.49Å; F190-H276 VanDerWaalsContact CZ-CD2 3.49Å; F190-H276 WeakPolarHBondContact CZ-CD2 3.28Å; F190-H276 AromaticContact CZ-CG 3.97Å; F190-H276 WeakPolarHBondContact O-CA 3.31Å; F190-H276 WeakPolarHBondContact O-CB 3.47Å; F190-G280 WeakPolarHBondContact O-CA 3.5Å
191S95.7Very high93.8Very high9 Ų951.2 Ų51.26%0.06327%0.273CS..PPolyproline II helixtrans-75.7138.2175.9-1460000111.8D178 P193 Y211 K278 R420D178-S191 PolarHBondContact O-N 3.05Å; D178-S191 VanDerWaalsContact O-N 3.08Å; D178-S191 VanDerWaalsContact OD2-CB 3.23Å; D178-S191 WeakPolarHBondContact OD2-CB 3.41Å; D178-S191 PolarHBondContact OD2-OG 2.9Å; S191-P193 WeakPolarHBondContact O-CD 3.26Å; S191-Y211 PolarHBondContact O-OH 2.86Å; S191-K278 PolarHBondContact OG-O 3.34Å; S191-R420 PolarHBondContact OG-NH2 2.93Å
192G95.6Very high92.6Very high2 Ų251.9 Ų51.92%0.02129%0.294CS..PPolyproline II helixtrans-63.3125.7-176.200000114.3H276 C277 K278 R420G192-H276 WeakPolarHBondContact CA-ND1 3.42Å; G192-C277 WeakPolarHBondContact CA-O 3.47Å; G192-C277 PolarHBondContact N-O 3.47Å; G192-K278 PolarHBondContact N-O 3.06Å; G192-R420 VanDerWaalsContact N-NH2 3.12Å; G192-R420 PolarHBondContact O-NH1 2.84Å; G192-R420 PolarHBondContact O-NH2 3.14Å
193P96Very high91.5Very high0 Ų055.6 Ų55.60%031%0.308CS..PPolyproline II helixtrans-55.8155.4179.1-26.132.5000114.5F190 S191 H206 P208 Y211 I230 Y231 F236F190-P193 HydrophobicContact CE2-CG 3.84Å; S191-P193 WeakPolarHBondContact O-CD 3.26Å; P193-H206 CarbonylContact C-O 3.32Å; P193-H206 WeakPolarHBondContact CA-O 3.3Å; P193-P208 HydrophobicContact CB-CG 4.04Å; P193-Y211 HydrophobicContact CB-CE2 4.13Å; P193-Y211 HydrophobicContact CG-CD2 4.11Å; P193-Y211 HydrophobicContact CG-CE2 3.73Å; P193-I230 VanDerWaalsContact O-CD1 3.27Å; P193-I230 WeakPolarHBondContact O-CD1 3.32Å; P193-I230 WeakPolarHBondContact O-CG1 3.39Å; P193-Y231 HydrophobicContact CB-CD1 3.95Å; P193-Y231 HydrophobicContact CB-CE1 4.06Å; P193-Y231 HydrophobicContact CB-CG 4.45Å; P193-Y231 HydrophobicContact CG-CD1 4.46Å; P193-Y231 HydrophobicContact CG-CE1 4.06Å; P193-Y231 WeakPolarHBondContact O-CD1 3.42Å; P193-F236 HydrophobicContact CG-CE2 4.34Å; P193-F236 HydrophobicContact CG-CZ 4.25Å
194H93.4Very high90.8Very high41 Ų4157.1 Ų57.119%0.1932%0.318CS..PPolyproline II helixtrans-96.5162.5172.2-80.4-97.3000111.5K196 L205 H206 A207 R420H194-K196 PolarHBondContact O-N 3.29Å; H194-L205 HydrophobicContact CB-CB 4.12Å; H194-H206 PolarHBondContact N-O 2.81Å; H194-A207 WeakPolarHBondContact O-CA 3.46Å; H194-R420 PolarHBondContact NE2-NH1 2.91Å
195P94Very high90.6Very high68 Ų6854.8 Ų54.844%0.44230%0.301SS..SBendtrans-70.4-17.4179.624.2-29.2000113.7I230 R235P195-I230 WeakPolarHBondContact CB-O 3.25Å; P195-I230 WeakPolarHBondContact CD-O 3.47Å; P195-I230 WeakPolarHBondContact CG-O 3.39Å; P195-R235 PolarHBondContact O-NH1 2.95Å
196K92.6Very high90.5Very high163 Ų16353.8 Ų53.871%0.70928%0.283SS*.SBendtrans-145.1147.6172-65.7-172.5179.5-177.40109.5H194H194-K196 PolarHBondContact O-N 3.29Å
197S92.3Very high90.4Very high74 Ų7452.2 Ų52.252%0.51728%0.276SS..  trans-74.6125.9168-62.20000108.7L205 A207S197-L205 WeakPolarHBondContact CA-O 3.45Å; S197-A207 VanDerWaalsContact OG-CB 3.32Å; S197-A207 WeakPolarHBondContact OG-CB 3.3Å; S197-A207 PolarHBondContact OG-N 2.94Å
198R89.1Confident90.4Very high145 Ų14552.2 Ų52.255%0.54728%0.276SS..EExtended strand (participates in β ladder)trans-156.2152.3178.768.2179.9-173.8-167.93.9110.7E200 L205R198-E200 IonicContact CZ-OE2 3.41Å; R198-E200 IonicContact NE-OE2 3.92Å; R198-E200 PolarHBondContact NE-OE2 3.01Å; R198-E200 VanDerWaalsContact NH2-CD 3.29Å; R198-E200 IonicContact NH2-OE1 2.65Å; R198-E200 PolarHBondContact NH2-OE1 3.4Å; R198-E200 IonicContact NH2-OE2 3.28Å; R198-E200 PolarHBondContact NH2-OE2 3.44Å; R198-L205 HydrophobicContact CG-CB 4.31Å; R198-L205 HydrophobicContact CG-CD1 4.03Å; R198-L205 HydrophobicContact CG-CG 4.4Å; R198-L205 PolarHBondContact N-O 3.23Å; R198-L205 PolarHBondContact O-N 3.18Å
199I86.4Confident90.3Very high131 Ų13155.9 Ų55.967%0.67229%0.293SS*.EExtended strand (participates in β ladder)trans-86.1124.6166.5-59.7175000107.6Y203I199-Y203 CarbonylContact C-O 3.51Å; I199-Y203 WeakPolarHBondContact CA-O 3.45Å
200E79.6Confident90.2Very high76 Ų7658.1 Ų58.136%0.35531%0.312SS..EExtended strand (participates in β ladder)trans-128118.8178.6-173.3163.3-178.900108.9R198 G202 Y203 L205R198-E200 IonicContact CZ-OE2 3.41Å; R198-E200 IonicContact NE-OE2 3.92Å; R198-E200 PolarHBondContact NE-OE2 3.01Å; R198-E200 VanDerWaalsContact NH2-CD 3.29Å; R198-E200 IonicContact NH2-OE1 2.65Å; R198-E200 PolarHBondContact NH2-OE1 3.4Å; R198-E200 IonicContact NH2-OE2 3.28Å; R198-E200 PolarHBondContact NH2-OE2 3.44Å; E200-G202 PolarHBondContact O-N 3.28Å; E200-Y203 PolarHBondContact N-O 3.48Å; E200-Y203 PolarHBondContact O-N 3.34Å; E200-L205 HydrophobicContact CB-CD1 3.98Å; E200-L205 HydrophobicContact CB-CG 4.26Å; E200-L205 WeakPolarHBondContact OE2-CD1 3.29Å
201N75.2Confident90.2Very high150 Ų15058.5 Ų58.580%0.80231%0.313SS*.THydrogen-bonded Turntrans51.736.5-174.2-57.5-21.9000113.9Y203N201-Y203 HydrophobicContact CB-CD2 4.48Å; N201-Y203 VanDerWaalsContact O-CD2 3.31Å; N201-Y203 WeakPolarHBondContact O-CD2 3.32Å; N201-Y203 VanDerWaalsContact O-CE2 3.27Å; N201-Y203 WeakPolarHBondContact O-CE2 3.45Å
202G73.3Confident90.4Very high60 Ų6059 Ų5962%0.61931%0.314SS*.THydrogen-bonded Turntrans86.7-6-176.900000115.2E200E200-G202 PolarHBondContact O-N 3.28Å
203Y75.7Confident90.5Very high80 Ų8063.3 Ų63.331%0.31434%0.342SS..EExtended strand (participates in β ladder)trans-104.8128-176.7-57.1-66.4000112.2I199 E200 N201 L205 S424I199-Y203 CarbonylContact C-O 3.51Å; I199-Y203 WeakPolarHBondContact CA-O 3.45Å; E200-Y203 PolarHBondContact N-O 3.48Å; E200-Y203 PolarHBondContact O-N 3.34Å; N201-Y203 HydrophobicContact CB-CD2 4.48Å; N201-Y203 VanDerWaalsContact O-CD2 3.31Å; N201-Y203 WeakPolarHBondContact O-CD2 3.32Å; N201-Y203 VanDerWaalsContact O-CE2 3.27Å; N201-Y203 WeakPolarHBondContact O-CE2 3.45Å; Y203-L205 PolarHBondContact O-N 3.47Å; Y203-S424 VanDerWaalsContact CE1-C 3.4Å; Y203-S424 WeakPolarHBondContact CE1-O 3.02Å
204P84.1Confident90.6Very high36 Ų3663.9 Ų63.923%0.23434%0.344CS..EExtended strand (participates in β ladder)trans-72.2124.7173.532.3-35.6000109.9E175E175-P204 HydrophobicContact CB-CG 3.96Å
205L90.1Very high90.8Very high25 Ų2561.9 Ų61.913%0.13134%0.335CS..EExtended strand (participates in β ladder)trans-92.3137164.7-54.3-174.1000107.8H194 S197 R198 E200 Y203H194-L205 HydrophobicContact CB-CB 4.12Å; S197-L205 WeakPolarHBondContact CA-O 3.45Å; R198-L205 HydrophobicContact CG-CB 4.31Å; R198-L205 HydrophobicContact CG-CD1 4.03Å; R198-L205 HydrophobicContact CG-CG 4.4Å; R198-L205 PolarHBondContact N-O 3.23Å; R198-L205 PolarHBondContact O-N 3.18Å; E200-L205 HydrophobicContact CB-CD1 3.98Å; E200-L205 HydrophobicContact CB-CG 4.26Å; E200-L205 WeakPolarHBondContact OE2-CD1 3.29Å; Y203-L205 PolarHBondContact O-N 3.47Å
206H93.9Very high91.1Very high33 Ų3365.5 Ų65.515%0.15334%0.34CS..  trans-106.8125-174.1-65.5-65.4000111.7V174 E175 P193 H194 A210 Y211V174-H206 PolarHBondContact O-NE2 3.11Å; E175-H206 PolarHBondContact O-CE1 3.07Å; E175-H206 PolarHBondContact O-NE2 3.47Å; E175-H206 VanDerWaalsContact O-NE2 3.07Å; P193-H206 CarbonylContact C-O 3.32Å; P193-H206 WeakPolarHBondContact CA-O 3.3Å; H194-H206 PolarHBondContact N-O 2.81Å; H206-A210 HydrophobicContact CB-CB 4Å; H206-Y211 HydrophobicContact CB-CE2 3.67Å
207A96.9Very high91.3Very high2 Ų264.5 Ų64.52%0.01734%0.335CS..  trans-73.4163.616500000111.9H194 S197 E209 A210 Y211H194-A207 WeakPolarHBondContact O-CA 3.46Å; S197-A207 VanDerWaalsContact OG-CB 3.32Å; S197-A207 WeakPolarHBondContact OG-CB 3.3Å; S197-A207 PolarHBondContact OG-N 2.94Å; A207-E209 WeakPolarHBondContact CB-OE2 3.49Å; A207-E209 PolarHBondContact O-N 3.38Å; A207-E209 VanDerWaalsContact O-N 3.12Å; A207-A210 WeakPolarHBondContact O-CB 3.49Å; A207-A210 PolarHBondContact O-N 3.04Å; A207-A210 VanDerWaalsContact O-N 3.12Å; A207-Y211 WeakPolarHBondContact O-CD2 3.29Å
208P98.1Very high91.6Very high0 Ų063.2 Ų63.20%032%0.321CS..Hα-helixtrans-45.6-41.3176.1-34.139.4000114.9P193 A210 Y211 F212 Y231 R235 F236P193-P208 HydrophobicContact CB-CG 4.04Å; P208-A210 VanDerWaalsContact C-N 3.25Å; P208-A210 PolarHBondContact O-N 3.35Å; P208-Y211 WeakPolarHBondContact O-CB 3.22Å; P208-Y211 PolarHBondContact O-N 3.06Å; P208-Y211 VanDerWaalsContact O-N 3.08Å; P208-F212 HydrophobicContact CB-CE1 3.86Å; P208-F212 HydrophobicContact CB-CZ 4.08Å; P208-F212 WeakPolarHBondContact O-CD1 3.07Å; P208-F212 WeakPolarHBondContact O-CE1 3.41Å; P208-Y231 HydrophobicContact CG-CD2 3.75Å; P208-Y231 HydrophobicContact CG-CE2 4.22Å; P208-Y231 HydrophobicContact CG-CG 4.16Å; P208-R235 HydrophobicContact CB-CB 4.18Å; P208-R235 HydrophobicContact CG-CB 4.26Å; P208-F236 HydrophobicContact CB-CD2 4.16Å; P208-F236 HydrophobicContact CB-CE1 4.23Å; P208-F236 HydrophobicContact CB-CE2 3.69Å; P208-F236 HydrophobicContact CB-CZ 3.73Å; P208-F236 HydrophobicContact CG-CD2 4.5Å; P208-F236 HydrophobicContact CG-CE2 3.97Å; P208-F236 HydrophobicContact CG-CZ 4.39Å
209E97.9Very high92Very high76 Ų7658.3 Ų58.336%0.35532%0.316SS..Hα-helixtrans-63.3-28.8-175.1-62.471.1-165.300113.2A207 Y211 F212 P213 R235A207-E209 WeakPolarHBondContact CB-OE2 3.49Å; A207-E209 PolarHBondContact O-N 3.38Å; A207-E209 VanDerWaalsContact O-N 3.12Å; E209-Y211 PolarHBondContact O-N 3.14Å; E209-F212 HydrophobicContact CB-CD2 4.19Å; E209-F212 HydrophobicContact CB-CE2 4.07Å; E209-F212 HydrophobicContact CB-CZ 4.42Å; E209-F212 HydrophobicContact CG-CD2 4.21Å; E209-F212 HydrophobicContact CG-CE2 3.64Å; E209-F212 HydrophobicContact CG-CZ 4.02Å; E209-F212 PolarHBondContact O-N 3.28Å; E209-F212 VanDerWaalsContact O-N 3.15Å; E209-P213 WeakPolarHBondContact O-CD 3.34Å; E209-R235 IonicContact OE1-CZ 3.12Å; E209-R235 VanDerWaalsContact OE1-CZ 3.26Å; E209-R235 IonicContact OE1-NE 2.66Å; E209-R235 PolarHBondContact OE1-NE 2.6Å; E209-R235 IonicContact OE1-NH2 2.63Å; E209-R235 PolarHBondContact OE1-NH2 3.03Å; E209-R235 IonicContact OE2-CZ 2.65Å; E209-R235 IonicContact OE2-NE 3.09Å; E209-R235 IonicContact OE2-NH2 2.7Å; E209-R235 PolarHBondContact OE2-NH2 3.25Å
210A97Very high92.6Very high49 Ų4952.4 Ų52.441%0.40529%0.286SS..Hα-helixtrans-60.8-28177.100000112.1H206 A207 P208H206-A210 HydrophobicContact CB-CB 4Å; A207-A210 WeakPolarHBondContact O-CB 3.49Å; A207-A210 PolarHBondContact O-N 3.04Å; A207-A210 VanDerWaalsContact O-N 3.12Å; P208-A210 VanDerWaalsContact C-N 3.25Å; P208-A210 PolarHBondContact O-N 3.35Å
211Y98.2Very high93.5Very high9 Ų950.8 Ų50.84%0.03528%0.281CS..Hα-helixtrans-86.4-20.8179.7-59.5-86.1000113.2G177 L179 F190 S191 P193 H206 A207 P208 E209 Y214 F215G177-Y211 WeakPolarHBondContact O-CE1 3.42Å; G177-Y211 PolarHBondContact O-OH 2.92Å; L179-Y211 HydrophobicContact CD2-CD1 4.06Å; L179-Y211 HydrophobicContact CD2-CE1 4.2Å; F190-Y211 AromaticContact CD2-CD1 3.95Å; F190-Y211 HydrophobicContact CD2-CD1 3.95Å; F190-Y211 AromaticContact CD2-CE1 3.58Å; F190-Y211 HydrophobicContact CD2-CE1 3.58Å; F190-Y211 AromaticContact CD2-CZ 3.94Å; F190-Y211 HydrophobicContact CE2-CD1 4.17Å; F190-Y211 HydrophobicContact CE2-CD2 4.49Å; F190-Y211 HydrophobicContact CE2-CE1 4.08Å; F190-Y211 HydrophobicContact CE2-CE2 4.42Å; F190-Y211 HydrophobicContact CE2-CG 4.37Å; S191-Y211 PolarHBondContact O-OH 2.86Å; P193-Y211 HydrophobicContact CB-CE2 4.13Å; P193-Y211 HydrophobicContact CG-CD2 4.11Å; P193-Y211 HydrophobicContact CG-CE2 3.73Å; H206-Y211 HydrophobicContact CB-CE2 3.67Å; A207-Y211 WeakPolarHBondContact O-CD2 3.29Å; P208-Y211 WeakPolarHBondContact O-CB 3.22Å; P208-Y211 PolarHBondContact O-N 3.06Å; P208-Y211 VanDerWaalsContact O-N 3.08Å; E209-Y211 PolarHBondContact O-N 3.14Å; Y211-Y214 PolarHBondContact O-N 2.69Å; Y211-F215 HydrophobicContact CD1-CE1 4.04Å; Y211-F215 HydrophobicContact CD1-CZ 4.07Å; Y211-F215 HydrophobicContact CG-CE1 4.31Å; Y211-F215 HydrophobicContact CG-CZ 4.12Å; Y211-F215 WeakPolarHBondContact O-CB 3.35Å; Y211-F215 WeakPolarHBondContact O-CD1 3.38Å; Y211-F215 WeakPolarHBondContact O-CG 3.42Å; Y211-F215 PolarHBondContact O-N 3.26Å
212F98.3Very high94.7Very high20 Ų2043.7 Ų43.79%0.08824%0.243CC..Hα-helixtrans-59-41.3-170.7-62.7-4.2000114.4P208 E209 F215 R216 R235 F236 A239 F241P208-F212 HydrophobicContact CB-CE1 3.86Å; P208-F212 HydrophobicContact CB-CZ 4.08Å; P208-F212 WeakPolarHBondContact O-CD1 3.07Å; P208-F212 WeakPolarHBondContact O-CE1 3.41Å; E209-F212 HydrophobicContact CB-CD2 4.19Å; E209-F212 HydrophobicContact CB-CE2 4.07Å; E209-F212 HydrophobicContact CB-CZ 4.42Å; E209-F212 HydrophobicContact CG-CD2 4.21Å; E209-F212 HydrophobicContact CG-CE2 3.64Å; E209-F212 HydrophobicContact CG-CZ 4.02Å; E209-F212 PolarHBondContact O-N 3.28Å; E209-F212 VanDerWaalsContact O-N 3.15Å; F212-F215 PolarHBondContact O-N 3.36Å; F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 WeakPolarHBondContact O-CG 3.29Å; F212-R216 PolarHBondContact O-N 2.8Å; F212-R235 VanDerWaalsContact CZ-O 3.28Å; F212-R235 WeakPolarHBondContact CZ-O 3.42Å; F212-F236 HydrophobicContact CD1-CD1 4.21Å; F212-F236 HydrophobicContact CD1-CE1 4.04Å; F212-F236 AromaticContact CE1-CD1 3.56Å; F212-F236 HydrophobicContact CE1-CD1 3.56Å; F212-F236 AromaticContact CE1-CE1 3.61Å; F212-F236 HydrophobicContact CE1-CE1 3.61Å; F212-F236 HydrophobicContact CE1-CG 4.35Å; F212-F236 HydrophobicContact CE1-CZ 4.44Å; F212-A239 HydrophobicContact CD2-CB 3.77Å; F212-A239 HydrophobicContact CE1-CB 4.21Å; F212-A239 HydrophobicContact CE2-CB 3.27Å; F212-A239 HydrophobicContact CG-CB 4.43Å; F212-A239 HydrophobicContact CZ-CB 3.54Å; F212-F241 HydrophobicContact CB-CE2 4.32Å; F212-F241 HydrophobicContact CB-CZ 4.44Å; F212-F241 HydrophobicContact CD1-CD2 4.43Å; F212-F241 AromaticContact CD1-CE2 3.59Å; F212-F241 HydrophobicContact CD1-CE2 3.59Å; F212-F241 HydrophobicContact CD1-CZ 4.3Å; F212-F241 HydrophobicContact CE1-CD2 4.49Å; F212-F241 HydrophobicContact CE1-CE2 4.06Å; F212-F241 AromaticContact CG-CE2 3.92Å; F212-F241 HydrophobicContact CG-CE2 3.92Å
213P98.2Very high95.9Very high91 Ų9140.8 Ų40.859%0.59121%0.213SC*.Hα-helixtrans-62.6-45.1179.2-22.634.7000112E209 K217E209-P213 WeakPolarHBondContact O-CD 3.34Å; P213-K217 WeakPolarHBondContact O-CB 3.47Å; P213-K217 PolarHBondContact O-N 2.87Å
214Y98.4Very high97Very high12 Ų1237 Ų375%0.04720%0.198CC..Hα-helixtrans-66.5-46.7177.6-170-98.6000111.3E167 Y171 L179 W181 L188 Y211 R216 K217 H218E167-Y214 HydrophobicContact CG-CE2 4.48Å; E167-Y214 WeakPolarHBondContact OE1-CE2 3.45Å; E167-Y214 PolarHBondContact OE1-OH 3.26Å; Y171-Y214 HydrophobicContact CD1-CD2 4.45Å; Y171-Y214 HydrophobicContact CD2-CD2 4.21Å; Y171-Y214 AromaticContact CD2-CE2 3.69Å; Y171-Y214 HydrophobicContact CD2-CE2 3.69Å; Y171-Y214 AromaticContact CE1-CD2 3.84Å; Y171-Y214 HydrophobicContact CE1-CD2 3.84Å; Y171-Y214 HydrophobicContact CE1-CE2 4.29Å; Y171-Y214 HydrophobicContact CE1-CG 4.26Å; Y171-Y214 AromaticContact CE2-CD2 3.56Å; Y171-Y214 HydrophobicContact CE2-CD2 3.56Å; Y171-Y214 AromaticContact CE2-CE2 3.34Å; Y171-Y214 HydrophobicContact CE2-CE2 3.34Å; Y171-Y214 HydrophobicContact CG-CE2 4.29Å; Y171-Y214 AromaticContact CZ-CD2 3.35Å; Y171-Y214 AromaticContact CZ-CE2 3.69Å; Y171-Y214 WeakPolarHBondContact OH-CD2 3.29Å; L179-Y214 HydrophobicContact CD1-CD1 3.96Å; L179-Y214 HydrophobicContact CD1-CE1 3.49Å; L179-Y214 VanDerWaalsContact CD1-CE1 3.49Å; L179-Y214 HydrophobicContact CD2-CD1 4.3Å; W181-Y214 HydrophobicContact CZ2-CE1 4.45Å; W181-Y214 AromaticContact NE1-CZ 3.87Å; W181-Y214 PolarHBondContact NE1-OH 3.22Å; L188-Y214 HydrophobicContact CD1-CE1 4.32Å; L188-Y214 HydrophobicContact CD2-CD1 4.3Å; L188-Y214 HydrophobicContact CD2-CE1 4.1Å; Y211-Y214 PolarHBondContact O-N 2.69Å; Y214-R216 VanDerWaalsContact C-N 3.33Å; Y214-R216 PolarHBondContact O-N 3.47Å; Y214-K217 PolarHBondContact O-N 3.39Å; Y214-H218 AromaticContact CD2-CD2 3.64Å; Y214-H218 AromaticContact CD2-NE2 3.68Å; Y214-H218 AromaticContact CE2-CD2 3.42Å; Y214-H218 VanDerWaalsContact CE2-CD2 3.42Å; Y214-H218 WeakPolarHBondContact CE2-CD2 3.41Å; Y214-H218 AromaticContact CE2-CE1 3.77Å; Y214-H218 AromaticContact CE2-NE2 3.17Å; Y214-H218 WeakPolarHBondContact CE2-NE2 3.35Å; Y214-H218 AromaticContact CZ-CD2 3.63Å; Y214-H218 AromaticContact CZ-CE1 3.87Å; Y214-H218 AromaticContact CZ-CG 3.94Å; Y214-H218 AromaticContact CZ-NE2 3.64Å; Y214-H218 PolarHBondContact O-CD2 2.88Å; Y214-H218 VanDerWaalsContact O-CD2 3.3Å; Y214-H218 PolarHBondContact O-N 3.3Å
215F98.6Very high97.7Very high0 Ų035.5 Ų35.50%019%0.188CC..Hα-helixtrans-59.3-42.5-179.5-78.116.3000111.8L188 F190 Y211 F212 G219 V220 I223 F236 F241 A274L188-F215 HydrophobicContact CD2-CD1 4.01Å; L188-F215 HydrophobicContact CD2-CE1 3.5Å; L188-F215 VanDerWaalsContact CD2-CE1 3.5Å; L188-F215 HydrophobicContact CD2-CZ 4.33Å; F190-F215 HydrophobicContact CD1-CZ 4.24Å; F190-F215 HydrophobicContact CD2-CZ 4.27Å; F190-F215 HydrophobicContact CE1-CE2 4.45Å; F190-F215 AromaticContact CE1-CZ 3.91Å; F190-F215 HydrophobicContact CE1-CZ 3.91Å; F190-F215 AromaticContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CE2-CZ 3.91Å; F190-F215 HydrophobicContact CG-CZ 4.42Å; F190-F215 HydrophobicContact CZ-CE2 4.1Å; F190-F215 AromaticContact CZ-CZ 3.73Å; F190-F215 HydrophobicContact CZ-CZ 3.73Å; Y211-F215 HydrophobicContact CD1-CE1 4.04Å; Y211-F215 HydrophobicContact CD1-CZ 4.07Å; Y211-F215 HydrophobicContact CG-CE1 4.31Å; Y211-F215 HydrophobicContact CG-CZ 4.12Å; Y211-F215 WeakPolarHBondContact O-CB 3.35Å; Y211-F215 WeakPolarHBondContact O-CD1 3.38Å; Y211-F215 WeakPolarHBondContact O-CG 3.42Å; Y211-F215 PolarHBondContact O-N 3.26Å; F212-F215 PolarHBondContact O-N 3.36Å; F215-G219 PolarHBondContact O-N 2.95Å; F215-V220 HydrophobicContact CB-CB 3.82Å; F215-V220 HydrophobicContact CB-CG1 4.24Å; F215-V220 HydrophobicContact CB-CG2 4.21Å; F215-V220 HydrophobicContact CD1-CG2 4.22Å; F215-V220 HydrophobicContact CD2-CB 4.41Å; F215-V220 HydrophobicContact CD2-CG1 3.9Å; F215-V220 HydrophobicContact CE2-CG1 4.44Å; F215-V220 HydrophobicContact CG-CB 4.04Å; F215-V220 HydrophobicContact CG-CG1 4.04Å; F215-V220 HydrophobicContact CG-CG2 4.17Å; F215-V220 WeakPolarHBondContact O-CB 3.12Å; F215-V220 PolarHBondContact O-N 3.23Å; F215-I223 HydrophobicContact CD2-CD1 4.19Å; F215-I223 HydrophobicContact CD2-CG1 4.29Å; F215-I223 HydrophobicContact CE2-CD1 4.26Å; F215-I223 HydrophobicContact CE2-CG1 3.85Å; F215-F236 HydrophobicContact CD2-CE1 4.11Å; F215-F236 AromaticContact CE2-CE1 3.85Å; F215-F236 HydrophobicContact CE2-CE1 3.85Å; F215-F236 HydrophobicContact CE2-CZ 4.34Å; F215-F241 HydrophobicContact CB-CE1 3.72Å; F215-F241 HydrophobicContact CB-CZ 3.74Å; F215-F241 HydrophobicContact CD2-CE1 4.45Å; F215-F241 HydrophobicContact CD2-CZ 4.47Å; F215-A274 HydrophobicContact CD2-CB 4.49Å; F215-A274 HydrophobicContact CE1-CB 4.27Å; F215-A274 HydrophobicContact CE2-CB 3.8Å; F215-A274 HydrophobicContact CZ-CB 3.67Å
216R98.4Very high98.1Very high144 Ų14434.3 Ų34.354%0.54318%0.182SC..Hα-helixtrans-67.8-47.3175.2-70.3171.7-175.7151.1-1112.4F212 Y214 H218 G219 A239 F241F212-R216 WeakPolarHBondContact O-CB 3.36Å; F212-R216 WeakPolarHBondContact O-CG 3.29Å; F212-R216 PolarHBondContact O-N 2.8Å; Y214-R216 VanDerWaalsContact C-N 3.33Å; Y214-R216 PolarHBondContact O-N 3.47Å; R216-H218 PolarHBondContact O-N 3.34Å; R216-G219 PolarHBondContact O-N 2.72Å; R216-A239 PolarHBondContact NH2-O 2.99Å; R216-F241 HydrophobicContact CG-CE1 4.29Å; R216-F241 HydrophobicContact CG-CZ 3.92Å
217K98.1Very high98Very high141 Ų14133 Ų3361%0.61318%0.176SC*.Hα-helixtrans-55.4-37.4178.3176.4-171167.1-135.50111.8E167 P213 Y214E167-K217 IonicContact OE2-NZ 2.6Å; E167-K217 PolarHBondContact OE2-NZ 3.08Å; P213-K217 WeakPolarHBondContact O-CB 3.47Å; P213-K217 PolarHBondContact O-N 2.87Å; Y214-K217 PolarHBondContact O-N 3.39Å
218H98.1Very high97.8Very high48 Ų4836.8 Ų36.822%0.22219%0.192CC..THydrogen-bonded Turntrans-105.522.3-176.2-62.2-104.9000114.3E167 W181 Y214 R216 V220E167-H218 IonicContact OE1-CE1 2.64Å; E167-H218 PolarHBondContact OE1-CE1 2.98Å; E167-H218 IonicContact OE1-ND1 3.04Å; E167-H218 IonicContact OE1-NE2 3.18Å; E167-H218 IonicContact OE2-CE1 3.08Å; E167-H218 PolarHBondContact OE2-CE1 3.34Å; E167-H218 IonicContact OE2-NE2 2.64Å; W181-H218 HydrophobicContact CH2-CB 4.3Å; W181-H218 HydrophobicContact CZ2-CB 3.65Å; Y214-H218 AromaticContact CD2-CD2 3.64Å; Y214-H218 AromaticContact CD2-NE2 3.68Å; Y214-H218 AromaticContact CE2-CD2 3.42Å; Y214-H218 VanDerWaalsContact CE2-CD2 3.42Å; Y214-H218 WeakPolarHBondContact CE2-CD2 3.41Å; Y214-H218 AromaticContact CE2-CE1 3.77Å; Y214-H218 AromaticContact CE2-NE2 3.17Å; Y214-H218 WeakPolarHBondContact CE2-NE2 3.35Å; Y214-H218 AromaticContact CZ-CD2 3.63Å; Y214-H218 AromaticContact CZ-CE1 3.87Å; Y214-H218 AromaticContact CZ-CG 3.94Å; Y214-H218 AromaticContact CZ-NE2 3.64Å; Y214-H218 PolarHBondContact O-CD2 2.88Å; Y214-H218 VanDerWaalsContact O-CD2 3.3Å; Y214-H218 PolarHBondContact O-N 3.3Å; R216-H218 PolarHBondContact O-N 3.34Å; H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 2.61Å
219G98.3Very high97.6Very high42 Ų4243 Ų4343%0.43322%0.219SC..THydrogen-bonded Turntrans65.127.5169.100000115.5F215 R216 T221 A272F215-G219 PolarHBondContact O-N 2.95Å; R216-G219 PolarHBondContact O-N 2.72Å; G219-T221 PolarHBondContact O-N 2.81Å; G219-A272 PolarHBondContact O-N 3.48Å
220V98.8Very high97.3Very high7 Ų742.2 Ų42.24%0.04222%0.217CC..EExtended strand (participates in β ladder)trans-71.6120.9171.8176.50000109W181 L188 F215 H218 I223 F241 A272 A274W181-V220 HydrophobicContact CH2-CG2 4.38Å; L188-V220 HydrophobicContact CD2-CG2 4.48Å; F215-V220 HydrophobicContact CB-CB 3.82Å; F215-V220 HydrophobicContact CB-CG1 4.24Å; F215-V220 HydrophobicContact CB-CG2 4.21Å; F215-V220 HydrophobicContact CD1-CG2 4.22Å; F215-V220 HydrophobicContact CD2-CB 4.41Å; F215-V220 HydrophobicContact CD2-CG1 3.9Å; F215-V220 HydrophobicContact CE2-CG1 4.44Å; F215-V220 HydrophobicContact CG-CB 4.04Å; F215-V220 HydrophobicContact CG-CG1 4.04Å; F215-V220 HydrophobicContact CG-CG2 4.17Å; F215-V220 WeakPolarHBondContact O-CB 3.12Å; F215-V220 PolarHBondContact O-N 3.23Å; H218-V220 VanDerWaalsContact C-N 3.32Å; H218-V220 PolarHBondContact O-N 2.61Å; V220-I223 HydrophobicContact CG1-CD1 4.44Å; V220-F241 VanDerWaalsContact O-CD1 3.29Å; V220-F241 WeakPolarHBondContact O-CD1 3.11Å; V220-F241 VanDerWaalsContact O-CE1 3.28Å; V220-F241 WeakPolarHBondContact O-CE1 3.49Å; V220-A272 WeakPolarHBondContact CA-O 3.48Å; V220-A272 HydrophobicContact CB-CB 4.5Å; V220-A272 HydrophobicContact CG2-CB 3.98Å; V220-A274 HydrophobicContact CG1-CB 3.7Å
221T98.7Very high97.3Very high41 Ų4140.3 Ų40.325%0.25220%0.199SC..EExtended strand (participates in β ladder)trans-104.3-2517757.10000112.6G219 F241 D242 G271 A272G219-T221 PolarHBondContact O-N 2.81Å; T221-F241 WeakPolarHBondContact O-CA 3.48Å; T221-D242 PolarHBondContact O-N 3.4Å; T221-G271 PolarHBondContact OG1-N 3.15Å; T221-G271 VanDerWaalsContact OG1-N 3.09Å; T221-A272 PolarHBondContact N-O 2.92Å
222T98.9Very high97.2Very high1 Ų144 Ų441%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-137.6128.8-162.2-51.90000111.2D242 Y244 V265 A272 V273 A274T222-D242 CarbonylContact C-O 3.42Å; T222-D242 WeakPolarHBondContact CA-O 3.41Å; T222-D242 HydrophobicContact CG2-CB 4.19Å; T222-Y244 HydrophobicContact CG2-CD2 3.69Å; T222-Y244 HydrophobicContact CG2-CE2 3.63Å; T222-V265 HydrophobicContact CG2-CG1 3.94Å; T222-A272 PolarHBondContact N-O 2.84Å; T222-V273 HydrophobicContact CG2-CG1 4.41Å; T222-V273 CarbonylContact O-C 3.55Å; T222-V273 WeakPolarHBondContact O-CA 3.38Å; T222-A274 PolarHBondContact O-N 3.31Å
223I98.9Very high97.1Very high0 Ų043.5 Ų43.50%022%0.219CC..EExtended strand (participates in β ladder)trans-109.2132.6175.2-6779.8000109.3F190 F215 V220 F236 F241 D242 H243 Y244 A274F190-I223 HydrophobicContact CZ-CG2 4.38Å; F215-I223 HydrophobicContact CD2-CD1 4.19Å; F215-I223 HydrophobicContact CD2-CG1 4.29Å; F215-I223 HydrophobicContact CE2-CD1 4.26Å; F215-I223 HydrophobicContact CE2-CG1 3.85Å; V220-I223 HydrophobicContact CG1-CD1 4.44Å; I223-F236 HydrophobicContact CD1-CB 4.35Å; I223-F236 HydrophobicContact CD1-CD1 3.51Å; I223-F236 HydrophobicContact CD1-CE1 3.96Å; I223-F236 HydrophobicContact CD1-CG 4.03Å; I223-F236 HydrophobicContact CG1-CD1 3.73Å; I223-F236 HydrophobicContact CG1-CD2 4.46Å; I223-F236 HydrophobicContact CG1-CE1 3.78Å; I223-F236 HydrophobicContact CG1-CE2 4.5Å; I223-F236 HydrophobicContact CG1-CG 4.09Å; I223-F236 HydrophobicContact CG1-CZ 4.18Å; I223-F236 HydrophobicContact CG2-CD2 4.37Å; I223-F236 HydrophobicContact CG2-CE2 4.25Å; I223-F241 HydrophobicContact CD1-CB 3.37Å; I223-F241 HydrophobicContact CD1-CD1 3.95Å; I223-F241 HydrophobicContact CD1-CD2 4.31Å; I223-F241 HydrophobicContact CD1-CG 3.65Å; I223-D242 PolarHBondContact N-O 3.37Å; I223-H243 WeakPolarHBondContact O-CA 3.35Å; I223-Y244 PolarHBondContact O-N 3.49Å; I223-A274 CarbonylContact C-O 3.43Å; I223-A274 VanDerWaalsContact CA-O 3.32Å; I223-A274 WeakPolarHBondContact CA-O 3.33Å; I223-A274 HydrophobicContact CG1-CB 4.39Å
224I98.9Very high97.1Very high0 Ų045.5 Ų45.50%022%0.219CC..EExtended strand (participates in β ladder)trans-118121.5172.9-56-179.1000109.7L226 Y244 L246 F262 V265 V273 A274 V275 H276I224-L226 HydrophobicContact CG2-CD2 3.69Å; I224-Y244 WeakPolarHBondContact CA-O 3.44Å; I224-L246 HydrophobicContact CG2-CB 4.31Å; I224-L246 HydrophobicContact CG2-CD1 3.84Å; I224-L246 HydrophobicContact CG2-CG 4.16Å; I224-F262 HydrophobicContact CD1-CD2 3.73Å; I224-F262 HydrophobicContact CD1-CE2 3.77Å; I224-F262 HydrophobicContact CG2-CD2 4.35Å; I224-V265 HydrophobicContact CD1-CB 4.36Å; I224-V265 HydrophobicContact CD1-CG1 3.82Å; I224-V265 HydrophobicContact CG1-CG1 4.29Å; I224-V273 HydrophobicContact CD1-CG1 3.66Å; I224-V273 HydrophobicContact CG1-CG1 3.87Å; I224-A274 PolarHBondContact N-O 2.74Å; I224-V275 HydrophobicContact CB-CG1 4.36Å; I224-V275 HydrophobicContact CB-CG2 4.42Å; I224-H276 PolarHBondContact O-N 3.28Å
225R98.8Very high97.1Very high4 Ų448.1 Ų48.12%0.01523%0.229CC..EExtended strand (participates in β ladder)trans-101.6126.2175.3173.7162.763.4-164.4-1111.1N227 Y231 Y244 D245 L246 H276R225-N227 WeakPolarHBondContact CG-O 3.17Å; R225-Y231 PolarHBondContact NH1-O 3.01Å; R225-Y244 PolarHBondContact N-O 3.48Å; R225-D245 IonicContact CZ-OD1 2.7Å; R225-D245 IonicContact NE-OD1 3.77Å; R225-D245 PolarHBondContact NE-OD1 3.38Å; R225-D245 VanDerWaalsContact NH2-CG 3.34Å; R225-D245 IonicContact NH2-OD1 3.23Å; R225-D245 PolarHBondContact NH2-OD1 3.41Å; R225-D245 IonicContact NH2-OD2 2.95Å; R225-D245 PolarHBondContact NH2-OD2 3.45Å; R225-L246 PolarHBondContact O-N 3.12Å; R225-H276 WeakPolarHBondContact CB-NE2 3.46Å; R225-H276 WeakPolarHBondContact CG-CE1 3.45Å
226L98.3Very high97.1Very high0 Ų048.1 Ų48.10%023%0.229CC..  trans-108-0.5-177.7-51.5179.1000114.2I224 L246 F248 V275 H276 C277 R283 L287I224-L226 HydrophobicContact CG2-CD2 3.69Å; L226-L246 HydrophobicContact CD2-CB 3.91Å; L226-L246 WeakPolarHBondContact CD2-O 3.43Å; L226-F248 HydrophobicContact CB-CE1 4.17Å; L226-F248 HydrophobicContact CD1-CE1 4.28Å; L226-F248 HydrophobicContact CD2-CE1 4.3Å; L226-F248 HydrophobicContact CG-CE1 4.49Å; L226-F248 PolarHBondContact O-N 2.98Å; L226-V275 HydrophobicContact CD1-CG1 3.76Å; L226-V275 HydrophobicContact CG-CG1 4.18Å; L226-H276 WeakPolarHBondContact CB-O 3.29Å; L226-H276 WeakPolarHBondContact CG-O 3.27Å; L226-H276 PolarHBondContact N-O 3.26Å; L226-C277 HydrophobicContact CB-CB 4Å; L226-R283 HydrophobicContact CB-CB 4.26Å; L226-R283 HydrophobicContact CD1-CB 4.08Å; L226-R283 PolarHBondContact O-NH1 3.42Å; L226-R283 VanDerWaalsContact O-NH1 3.15Å; L226-L287 HydrophobicContact CD1-CD1 3.87Å; L226-L287 HydrophobicContact CD2-CD1 3.53Å; L226-L287 HydrophobicContact CG-CD1 4.34Å
227N93.1Very high97.1Very high6 Ų644.4 Ų44.43%0.03222%0.222CC..SBendtrans-121169.8-177.469.3-70.1000112.3R225 H276 C277R225-N227 WeakPolarHBondContact CG-O 3.17Å; N227-H276 PolarHBondContact OD1-CE1 3.09Å; N227-H276 PolarHBondContact OD1-ND1 2.79Å; N227-H276 VanDerWaalsContact OD1-ND1 3.14Å; N227-C277 VanDerWaalsContact CG-C 3.5Å; N227-C277 WeakPolarHBondContact OD1-CA 3.41Å; N227-C277 PolarHBondContact OD1-O 2.91Å
228K92.8Very high97.1Very high81 Ų8144.3 Ų44.335%0.35223%0.228SC..  trans-48.2144.7176-69.9-178.9179.1150.10112.2I230 F247 D406K228-I230 VanDerWaalsContact C-N 3.32Å; K228-I230 PolarHBondContact O-N 2.74Å; K228-F247 HydrophobicContact CG-CD2 4.45Å; K228-F247 HydrophobicContact CG-CE2 3.72Å; K228-F247 HydrophobicContact CG-CZ 4.16Å; K228-D406 VanDerWaalsContact CD-OD2 3.23Å; K228-D406 WeakPolarHBondContact CD-OD2 3.31Å; K228-D406 WeakPolarHBondContact CE-OD2 3.02Å; K228-D406 VanDerWaalsContact NZ-CG 3.3Å; K228-D406 IonicContact NZ-OD2 2.79Å; K228-D406 PolarHBondContact NZ-OD2 2.87Å
229K93.6Very high97.1Very high132 Ų13242.9 Ų42.957%0.57423%0.225SC*.  trans-71.879.6-174.5-48.2-167.4-169.3-153.90111.3Y231 D245K229-Y231 VanDerWaalsContact C-N 3.35Å; K229-D245 WeakPolarHBondContact CD-OD2 3.31Å; K229-D245 WeakPolarHBondContact CE-OD2 3.5Å; K229-D245 IonicContact NZ-OD2 2.66Å; K229-D245 PolarHBondContact NZ-OD2 2.84Å
230I91.5Very high97.1Very high58 Ų5844.1 Ų44.130%0.29724%0.238SC..  trans-85.2-4.7178.463.1173.5000113.9P193 P195 K228P193-I230 VanDerWaalsContact O-CD1 3.27Å; P193-I230 WeakPolarHBondContact O-CD1 3.32Å; P193-I230 WeakPolarHBondContact O-CG1 3.39Å; P195-I230 WeakPolarHBondContact CB-O 3.25Å; P195-I230 WeakPolarHBondContact CD-O 3.47Å; P195-I230 WeakPolarHBondContact CG-O 3.39Å; K228-I230 VanDerWaalsContact C-N 3.32Å; K228-I230 PolarHBondContact O-N 2.74Å
231Y95.8Very high97.1Very high9 Ų944.2 Ų44.24%0.03524%0.238CC..SBendtrans-143.5159.4174.368.5-95.6000109.3P193 P208 R225 K229 G233 F236 H243 H276P193-Y231 HydrophobicContact CB-CD1 3.95Å; P193-Y231 HydrophobicContact CB-CE1 4.06Å; P193-Y231 HydrophobicContact CB-CG 4.45Å; P193-Y231 HydrophobicContact CG-CD1 4.46Å; P193-Y231 HydrophobicContact CG-CE1 4.06Å; P193-Y231 WeakPolarHBondContact O-CD1 3.42Å; P208-Y231 HydrophobicContact CG-CD2 3.75Å; P208-Y231 HydrophobicContact CG-CE2 4.22Å; P208-Y231 HydrophobicContact CG-CG 4.16Å; R225-Y231 PolarHBondContact NH1-O 3.01Å; K229-Y231 VanDerWaalsContact C-N 3.35Å; Y231-G233 PolarHBondContact O-N 2.99Å; Y231-F236 AromaticContact CE2-CD2 3.77Å; Y231-F236 HydrophobicContact CE2-CD2 3.77Å; Y231-F236 AromaticContact CE2-CE2 3.65Å; Y231-F236 HydrophobicContact CE2-CE2 3.65Å; Y231-F236 AromaticContact CZ-CE2 3.81Å; Y231-H243 AromaticContact CE2-NE2 3.86Å; Y231-H243 AromaticContact CZ-NE2 3.8Å; Y231-H243 PolarHBondContact OH-NE2 3.43Å; Y231-H276 AromaticContact CE1-CE1 3.63Å; Y231-H276 AromaticContact CE1-NE2 3.52Å; Y231-H276 AromaticContact CZ-NE2 3.53Å; Y231-H276 PolarHBondContact OH-NE2 2.96Å
232D97.3Very high97.1Very high88 Ų8845.5 Ų45.547%0.47124%0.243SC..  trans-76.7120.3174.6-172.8-0.6000111.3K234 R235D232-K234 PolarHBondContact O-N 3.05Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 WeakPolarHBondContact OD1-CG 3.47Å; D232-K234 PolarHBondContact OD1-N 2.84Å; D232-R235 HydrophobicContact CB-CG 4.47Å; D232-R235 WeakPolarHBondContact O-CB 3.49Å; D232-R235 WeakPolarHBondContact O-CG 3.44Å; D232-R235 PolarHBondContact O-N 3.39Å
233G96.8Very high97.1Very high8 Ų846.9 Ų46.98%0.08225%0.25CC..THydrogen-bonded Turntrans-60.8-25.8176.800000113Y231 R235 F236 T237Y231-G233 PolarHBondContact O-N 2.99Å; G233-R235 PolarHBondContact O-N 3.48Å; G233-F236 PolarHBondContact O-N 3.15Å; G233-T237 PolarHBondContact O-N 3.29Å
234K97.9Very high97.1Very high134 Ų13450.3 Ų50.358%0.58326%0.263SS*.Hα-helixtrans-58.3-22.2176.9-66.2178.5179.6178.30113.6D232 F236 T237 N238D232-K234 PolarHBondContact O-N 3.05Å; D232-K234 WeakPolarHBondContact OD1-CB 3.48Å; D232-K234 WeakPolarHBondContact OD1-CG 3.47Å; D232-K234 PolarHBondContact OD1-N 2.84Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 2.88Å; K234-T237 VanDerWaalsContact CA-OG1 3.31Å; K234-T237 WeakPolarHBondContact CA-OG1 3.29Å; K234-T237 PolarHBondContact O-N 2.91Å; K234-T237 PolarHBondContact O-OG1 3.11Å; K234-N238 WeakPolarHBondContact O-CB 3.36Å; K234-N238 PolarHBondContact O-N 3.37Å; K234-N238 PolarHBondContact O-OD1 2.97Å
235R98.3Very high97.1Very high66 Ų6652.4 Ų52.425%0.24927%0.274CS..Hα-helixtrans-64.1-34.8176.2-63.8170.373.8163.110.6112.1P195 P208 E209 F212 D232 G233 A239P195-R235 PolarHBondContact O-NH1 2.95Å; P208-R235 HydrophobicContact CB-CB 4.18Å; P208-R235 HydrophobicContact CG-CB 4.26Å; E209-R235 IonicContact OE1-CZ 3.12Å; E209-R235 VanDerWaalsContact OE1-CZ 3.26Å; E209-R235 IonicContact OE1-NE 2.66Å; E209-R235 PolarHBondContact OE1-NE 2.6Å; E209-R235 IonicContact OE1-NH2 2.63Å; E209-R235 PolarHBondContact OE1-NH2 3.03Å; E209-R235 IonicContact OE2-CZ 2.65Å; E209-R235 IonicContact OE2-NE 3.09Å; E209-R235 IonicContact OE2-NH2 2.7Å; E209-R235 PolarHBondContact OE2-NH2 3.25Å; F212-R235 VanDerWaalsContact CZ-O 3.28Å; F212-R235 WeakPolarHBondContact CZ-O 3.42Å; D232-R235 HydrophobicContact CB-CG 4.47Å; D232-R235 WeakPolarHBondContact O-CB 3.49Å; D232-R235 WeakPolarHBondContact O-CG 3.44Å; D232-R235 PolarHBondContact O-N 3.39Å; G233-R235 PolarHBondContact O-N 3.48Å; R235-A239 VanDerWaalsContact O-CB 3.25Å; R235-A239 WeakPolarHBondContact O-CB 3.33Å; R235-A239 PolarHBondContact O-N 3.06Å
236F98.6Very high97Very high0 Ų052.7 Ų52.70%028%0.276CS..Hα-helixtrans-74.9-44.4171.8-77-71.4000111.5P193 P208 F212 F215 I223 Y231 G233 K234 N238 A239 G240 F241 H243P193-F236 HydrophobicContact CG-CE2 4.34Å; P193-F236 HydrophobicContact CG-CZ 4.25Å; P208-F236 HydrophobicContact CB-CD2 4.16Å; P208-F236 HydrophobicContact CB-CE1 4.23Å; P208-F236 HydrophobicContact CB-CE2 3.69Å; P208-F236 HydrophobicContact CB-CZ 3.73Å; P208-F236 HydrophobicContact CG-CD2 4.5Å; P208-F236 HydrophobicContact CG-CE2 3.97Å; P208-F236 HydrophobicContact CG-CZ 4.39Å; F212-F236 HydrophobicContact CD1-CD1 4.21Å; F212-F236 HydrophobicContact CD1-CE1 4.04Å; F212-F236 AromaticContact CE1-CD1 3.56Å; F212-F236 HydrophobicContact CE1-CD1 3.56Å; F212-F236 AromaticContact CE1-CE1 3.61Å; F212-F236 HydrophobicContact CE1-CE1 3.61Å; F212-F236 HydrophobicContact CE1-CG 4.35Å; F212-F236 HydrophobicContact CE1-CZ 4.44Å; F215-F236 HydrophobicContact CD2-CE1 4.11Å; F215-F236 AromaticContact CE2-CE1 3.85Å; F215-F236 HydrophobicContact CE2-CE1 3.85Å; F215-F236 HydrophobicContact CE2-CZ 4.34Å; I223-F236 HydrophobicContact CD1-CB 4.35Å; I223-F236 HydrophobicContact CD1-CD1 3.51Å; I223-F236 HydrophobicContact CD1-CE1 3.96Å; I223-F236 HydrophobicContact CD1-CG 4.03Å; I223-F236 HydrophobicContact CG1-CD1 3.73Å; I223-F236 HydrophobicContact CG1-CD2 4.46Å; I223-F236 HydrophobicContact CG1-CE1 3.78Å; I223-F236 HydrophobicContact CG1-CE2 4.5Å; I223-F236 HydrophobicContact CG1-CG 4.09Å; I223-F236 HydrophobicContact CG1-CZ 4.18Å; I223-F236 HydrophobicContact CG2-CD2 4.37Å; I223-F236 HydrophobicContact CG2-CE2 4.25Å; Y231-F236 AromaticContact CE2-CD2 3.77Å; Y231-F236 HydrophobicContact CE2-CD2 3.77Å; Y231-F236 AromaticContact CE2-CE2 3.65Å; Y231-F236 HydrophobicContact CE2-CE2 3.65Å; Y231-F236 AromaticContact CZ-CE2 3.81Å; G233-F236 PolarHBondContact O-N 3.15Å; K234-F236 VanDerWaalsContact C-N 3.29Å; K234-F236 PolarHBondContact O-N 2.88Å; F236-N238 PolarHBondContact O-N 2.82Å; F236-A239 CarbonylContact O-C 3.56Å; F236-A239 WeakPolarHBondContact O-CA 3.42Å; F236-A239 WeakPolarHBondContact O-CB 3.44Å; F236-A239 PolarHBondContact O-N 3.15Å; F236-G240 PolarHBondContact O-N 3.5Å; F236-F241 CarbonylContact C-O 3.58Å; F236-F241 HydrophobicContact CB-CB 4.27Å; F236-F241 HydrophobicContact CB-CD2 4.44Å; F236-F241 AromaticContact CD1-CD2 3.85Å; F236-F241 HydrophobicContact CD1-CD2 3.85Å; F236-F241 HydrophobicContact CD1-CE2 4.34Å; F236-F241 HydrophobicContact CD1-CG 4.39Å; F236-F241 WeakPolarHBondContact O-CD2 3.36Å; F236-F241 PolarHBondContact O-N 2.97Å; F236-H243 HydrophobicContact CB-CB 4.31Å; F236-H243 AromaticContact CD2-CD2 3.61Å
237T98.5Very high97Very high66 Ų6653.9 Ų53.941%0.40528%0.281SS..Hα-helixtrans-65.5-41.6-178.665.80000112.9G233 K234 A239 G240 F241 H243G233-T237 PolarHBondContact O-N 3.29Å; K234-T237 VanDerWaalsContact CA-OG1 3.31Å; K234-T237 WeakPolarHBondContact CA-OG1 3.29Å; K234-T237 PolarHBondContact O-N 2.91Å; K234-T237 PolarHBondContact O-OG1 3.11Å; T237-A239 PolarHBondContact O-N 2.81Å; T237-G240 PolarHBondContact O-N 3.48Å; T237-G240 VanDerWaalsContact O-N 3.15Å; T237-F241 VanDerWaalsContact CA-O 3.24Å; T237-F241 WeakPolarHBondContact CA-O 3.36Å; T237-H243 HydrophobicContact CG2-CB 3.8Å
238N98.4Very high97.1Very high139 Ų13954.1 Ų54.174%0.74328%0.282SS*.THydrogen-bonded Turntrans-66.5-20175.2-63.50.3000112.3K234 F236K234-N238 WeakPolarHBondContact O-CB 3.36Å; K234-N238 PolarHBondContact O-N 3.37Å; K234-N238 PolarHBondContact O-OD1 2.97Å; F236-N238 PolarHBondContact O-N 2.82Å
239A98.2Very high97.1Very high18 Ų1851.8 Ų51.815%0.14927%0.273CS..THydrogen-bonded Turntrans-93.53.1177.200000114F212 R216 R235 F236 T237 F241F212-A239 HydrophobicContact CD2-CB 3.77Å; F212-A239 HydrophobicContact CE1-CB 4.21Å; F212-A239 HydrophobicContact CE2-CB 3.27Å; F212-A239 HydrophobicContact CG-CB 4.43Å; F212-A239 HydrophobicContact CZ-CB 3.54Å; R216-A239 PolarHBondContact NH2-O 2.99Å; R235-A239 VanDerWaalsContact O-CB 3.25Å; R235-A239 WeakPolarHBondContact O-CB 3.33Å; R235-A239 PolarHBondContact O-N 3.06Å; F236-A239 CarbonylContact O-C 3.56Å; F236-A239 WeakPolarHBondContact O-CA 3.42Å; F236-A239 WeakPolarHBondContact O-CB 3.44Å; F236-A239 PolarHBondContact O-N 3.15Å; T237-A239 PolarHBondContact O-N 2.81Å; A239-F241 HydrophobicContact CB-CD2 4.01Å; A239-F241 HydrophobicContact CB-CE2 4.02Å
240G98.2Very high97Very high69 Ų6945.9 Ų45.971%0.71125%0.248SC*.THydrogen-bonded Turntrans96.212.5175.600000115.9F236 T237F236-G240 PolarHBondContact O-N 3.5Å; T237-G240 PolarHBondContact O-N 3.48Å; T237-G240 VanDerWaalsContact O-N 3.15Å
241F98.6Very high96.9Very high9 Ų943.9 Ų43.94%0.03924%0.242CC..  trans-108.2141.1178.9-51.1-83.5000112.3F212 F215 R216 V220 T221 I223 F236 T237 A239F212-F241 HydrophobicContact CB-CE2 4.32Å; F212-F241 HydrophobicContact CB-CZ 4.44Å; F212-F241 HydrophobicContact CD1-CD2 4.43Å; F212-F241 AromaticContact CD1-CE2 3.59Å; F212-F241 HydrophobicContact CD1-CE2 3.59Å; F212-F241 HydrophobicContact CD1-CZ 4.3Å; F212-F241 HydrophobicContact CE1-CD2 4.49Å; F212-F241 HydrophobicContact CE1-CE2 4.06Å; F212-F241 AromaticContact CG-CE2 3.92Å; F212-F241 HydrophobicContact CG-CE2 3.92Å; F215-F241 HydrophobicContact CB-CE1 3.72Å; F215-F241 HydrophobicContact CB-CZ 3.74Å; F215-F241 HydrophobicContact CD2-CE1 4.45Å; F215-F241 HydrophobicContact CD2-CZ 4.47Å; R216-F241 HydrophobicContact CG-CE1 4.29Å; R216-F241 HydrophobicContact CG-CZ 3.92Å; V220-F241 VanDerWaalsContact O-CD1 3.29Å; V220-F241 WeakPolarHBondContact O-CD1 3.11Å; V220-F241 VanDerWaalsContact O-CE1 3.28Å; V220-F241 WeakPolarHBondContact O-CE1 3.49Å; T221-F241 WeakPolarHBondContact O-CA 3.48Å; I223-F241 HydrophobicContact CD1-CB 3.37Å; I223-F241 HydrophobicContact CD1-CD1 3.95Å; I223-F241 HydrophobicContact CD1-CD2 4.31Å; I223-F241 HydrophobicContact CD1-CG 3.65Å; F236-F241 CarbonylContact C-O 3.58Å; F236-F241 HydrophobicContact CB-CB 4.27Å; F236-F241 HydrophobicContact CB-CD2 4.44Å; F236-F241 AromaticContact CD1-CD2 3.85Å; F236-F241 HydrophobicContact CD1-CD2 3.85Å; F236-F241 HydrophobicContact CD1-CE2 4.34Å; F236-F241 HydrophobicContact CD1-CG 4.39Å; F236-F241 WeakPolarHBondContact O-CD2 3.36Å; F236-F241 PolarHBondContact O-N 2.97Å; T237-F241 VanDerWaalsContact CA-O 3.24Å; T237-F241 WeakPolarHBondContact CA-O 3.36Å; A239-F241 HydrophobicContact CB-CD2 4.01Å; A239-F241 HydrophobicContact CB-CE2 4.02Å
242D98.7Very high96.8Very high68 Ų6845.1 Ų45.136%0.36425%0.251SS..EExtended strand (participates in β ladder)trans-67.4138.7167.4-65.5-48.2000109.9T221 T222 I223 Y244T221-D242 PolarHBondContact O-N 3.4Å; T222-D242 CarbonylContact C-O 3.42Å; T222-D242 WeakPolarHBondContact CA-O 3.41Å; T222-D242 HydrophobicContact CG2-CB 4.19Å; I223-D242 PolarHBondContact N-O 3.37Å; D242-Y244 HydrophobicContact CB-CE2 3.83Å
243H98.7Very high96.8Very high30 Ų3043.6 Ų43.614%0.13925%0.246CC..EExtended strand (participates in β ladder)trans-128.9129.3179.9-170.8-82.3000110.9I223 Y231 F236 T237 D245I223-H243 WeakPolarHBondContact O-CA 3.35Å; Y231-H243 AromaticContact CE2-NE2 3.86Å; Y231-H243 AromaticContact CZ-NE2 3.8Å; Y231-H243 PolarHBondContact OH-NE2 3.43Å; F236-H243 HydrophobicContact CB-CB 4.31Å; F236-H243 AromaticContact CD2-CD2 3.61Å; T237-H243 HydrophobicContact CG2-CB 3.8Å; H243-D245 IonicContact CE1-OD1 3.52Å
244Y98.6Very high96.9Very high72 Ų7243.4 Ų43.428%0.28224%0.243SC..EExtended strand (participates in β ladder)trans-127.3132.2179.8-62.7-88.8000111.3T222 I223 I224 R225 D242 V265T222-Y244 HydrophobicContact CG2-CD2 3.69Å; T222-Y244 HydrophobicContact CG2-CE2 3.63Å; I223-Y244 PolarHBondContact O-N 3.49Å; I224-Y244 WeakPolarHBondContact CA-O 3.44Å; R225-Y244 PolarHBondContact N-O 3.48Å; D242-Y244 HydrophobicContact CB-CE2 3.83Å; Y244-V265 HydrophobicContact CD1-CG2 3.99Å; Y244-V265 HydrophobicContact CD2-CG1 3.6Å; Y244-V265 HydrophobicContact CD2-CG2 4.45Å; Y244-V265 HydrophobicContact CE1-CG2 3.98Å; Y244-V265 HydrophobicContact CE2-CG1 3.59Å; Y244-V265 HydrophobicContact CE2-CG2 4.44Å; Y244-V265 HydrophobicContact CG-CG1 4.12Å; Y244-V265 HydrophobicContact CG-CG2 4.22Å
245D98.3Very high96.7Very high43 Ų4340.4 Ų40.423%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-94.3120.9167.8-76-40.2000109.5R225 K229 H243R225-D245 IonicContact CZ-OD1 2.7Å; R225-D245 IonicContact NE-OD1 3.77Å; R225-D245 PolarHBondContact NE-OD1 3.38Å; R225-D245 VanDerWaalsContact NH2-CG 3.34Å; R225-D245 IonicContact NH2-OD1 3.23Å; R225-D245 PolarHBondContact NH2-OD1 3.41Å; R225-D245 IonicContact NH2-OD2 2.95Å; R225-D245 PolarHBondContact NH2-OD2 3.45Å; K229-D245 WeakPolarHBondContact CD-OD2 3.31Å; K229-D245 WeakPolarHBondContact CE-OD2 3.5Å; K229-D245 IonicContact NZ-OD2 2.66Å; K229-D245 PolarHBondContact NZ-OD2 2.84Å; H243-D245 IonicContact CE1-OD1 3.52Å
246L97.8Very high96.6Very high11 Ų1141.1 Ų41.16%0.05824%0.242CC..  trans-130.366.4174-62-179.7000108.8I224 R225 L226 I258 R261 F262I224-L246 HydrophobicContact CG2-CB 4.31Å; I224-L246 HydrophobicContact CG2-CD1 3.84Å; I224-L246 HydrophobicContact CG2-CG 4.16Å; R225-L246 PolarHBondContact O-N 3.12Å; L226-L246 HydrophobicContact CD2-CB 3.91Å; L226-L246 WeakPolarHBondContact CD2-O 3.43Å; L246-I258 HydrophobicContact CB-CG2 4.4Å; L246-R261 HydrophobicContact CD1-CG 4.33Å; L246-R261 HydrophobicContact CD2-CB 4.09Å; L246-R261 HydrophobicContact CD2-CG 3.42Å; L246-R261 VanDerWaalsContact CD2-CG 3.42Å; L246-F262 HydrophobicContact CD1-CB 3.93Å; L246-F262 HydrophobicContact CD1-CD2 4.35Å
247F96.6Very high96.5Very high25 Ų2543.6 Ų43.611%0.1126%0.257CS..  trans-68.7136.5-172.2173.8-106.4000112.7K228 I249 I258 L401K228-F247 HydrophobicContact CG-CD2 4.45Å; K228-F247 HydrophobicContact CG-CE2 3.72Å; K228-F247 HydrophobicContact CG-CZ 4.16Å; F247-I249 HydrophobicContact CZ-CG1 4.47Å; F247-I258 VanDerWaalsContact O-CD1 3.28Å; F247-I258 WeakPolarHBondContact O-CD1 3.42Å; F247-L401 HydrophobicContact CD1-CD2 3.45Å; F247-L401 VanDerWaalsContact CD1-CD2 3.45Å; F247-L401 HydrophobicContact CD1-CG 3.91Å; F247-L401 HydrophobicContact CE1-CD2 3.6Å; F247-L401 HydrophobicContact CE1-CG 4.32Å; F247-L401 HydrophobicContact CG-CD2 4.11Å; F247-L401 HydrophobicContact CZ-CD2 4.38Å
248F96.1Very high96.5Very high10 Ų1041.4 Ų41.44%0.04424%0.243CC..  trans-147.7160.9158.159.4-72.8000110.4L226 P254 I258 R283 L287L226-F248 HydrophobicContact CB-CE1 4.17Å; L226-F248 HydrophobicContact CD1-CE1 4.28Å; L226-F248 HydrophobicContact CD2-CE1 4.3Å; L226-F248 HydrophobicContact CG-CE1 4.49Å; L226-F248 PolarHBondContact O-N 2.98Å; F248-P254 HydrophobicContact CD1-CB 4.21Å; F248-P254 HydrophobicContact CD2-CB 4.1Å; F248-P254 HydrophobicContact CE1-CB 4.01Å; F248-P254 HydrophobicContact CE2-CB 3.85Å; F248-P254 HydrophobicContact CE2-CG 4.13Å; F248-P254 HydrophobicContact CG-CB 4.25Å; F248-P254 HydrophobicContact CZ-CB 3.8Å; F248-P254 HydrophobicContact CZ-CG 4.08Å; F248-I258 HydrophobicContact CB-CD1 3.81Å; F248-I258 HydrophobicContact CD1-CD1 4.27Å; F248-I258 HydrophobicContact CD1-CG2 4.2Å; F248-I258 HydrophobicContact CE1-CG2 4.39Å; F248-I258 HydrophobicContact CG-CD1 4.36Å; F248-R283 HydrophobicContact CD2-CG 4.07Å; F248-R283 HydrophobicContact CE1-CB 4Å; F248-R283 HydrophobicContact CE1-CG 4.25Å; F248-R283 HydrophobicContact CE2-CB 3.91Å; F248-R283 HydrophobicContact CE2-CG 3.49Å; F248-R283 VanDerWaalsContact CE2-CG 3.49Å; F248-R283 HydrophobicContact CZ-CB 3.44Å; F248-R283 VanDerWaalsContact CZ-CB 3.44Å; F248-R283 HydrophobicContact CZ-CG 3.59Å; F248-R283 WeakPolarHBondContact O-CD 3.31Å; F248-R283 PolarHBondContact O-NH1 3.04Å; F248-L287 HydrophobicContact CE1-CD1 3.87Å; F248-L287 HydrophobicContact CE1-CG 4.36Å; F248-L287 HydrophobicContact CZ-CD1 4.41Å; F248-L287 HydrophobicContact CZ-CG 4.43Å
249I93.6Very high96.5Very high32 Ų3235.2 Ų35.216%0.16421%0.21CC..  trans-61.1142.1-169.9-64.7169.3000111.3F247 G251 S252 L404 I407F247-I249 HydrophobicContact CZ-CG1 4.47Å; I249-G251 PolarHBondContact O-N 3.12Å; I249-S252 PolarHBondContact O-N 3.49Å; I249-S252 PolarHBondContact O-OG 2.76Å; I249-S252 VanDerWaalsContact O-OG 3.13Å; I249-L404 HydrophobicContact CD1-CB 3.77Å; I249-L404 HydrophobicContact CD1-CD2 3.52Å; I249-L404 HydrophobicContact CD1-CG 4.27Å; I249-I407 HydrophobicContact CG2-CD1 4.43Å; I249-I407 HydrophobicContact CG2-CG1 4.12Å
250D90.7Very high96.5Very high8 Ų840.4 Ų40.44%0.04323%0.225CC..THydrogen-bonded Turntrans-62.9136.1176.4-159.448.3000112.5S252 R283 D406 T414 Q415 G416D250-S252 PolarHBondContact O-N 3.26Å; D250-R283 VanDerWaalsContact CB-NH2 3.3Å; D250-R283 IonicContact OD1-CZ 2.78Å; D250-R283 IonicContact OD1-NE 2.62Å; D250-R283 PolarHBondContact OD1-NE 3.43Å; D250-R283 VanDerWaalsContact OD1-NE 3.12Å; D250-R283 IonicContact OD1-NH2 3.55Å; D250-R283 PolarHBondContact OD1-NH2 2.89Å; D250-D406 HydrophobicContact CB-CB 4.42Å; D250-D406 WeakPolarHBondContact CB-OD1 3.46Å; D250-D406 PolarHBondContact N-OD1 3.07Å; D250-T414 VanDerWaalsContact OD2-CB 3.24Å; D250-T414 WeakPolarHBondContact OD2-CB 3.33Å; D250-T414 PolarHBondContact OD2-OG1 3.13Å; D250-Q415 PolarHBondContact OD2-N 3.18Å; D250-Q415 VanDerWaalsContact OD2-N 3.11Å; D250-G416 PolarHBondContact OD2-N 3.24Å
251G88.8Confident96.5Very high17 Ų1738.9 Ų38.918%0.17520%0.198CC..THydrogen-bonded Turntrans74.7-10.3-173.600000115.7I249I249-G251 PolarHBondContact O-N 3.12Å
252S94.6Very high96.5Very high34 Ų3438.4 Ų38.424%0.23820%0.196CC..SBendtrans-82.9174.4176.891.80000112.6I249 D250 Q319I249-S252 PolarHBondContact O-N 3.49Å; I249-S252 PolarHBondContact O-OG 2.76Å; I249-S252 VanDerWaalsContact O-OG 3.13Å; D250-S252 PolarHBondContact O-N 3.26Å; S252-Q319 WeakPolarHBondContact O-CG 3.3Å; S252-Q319 PolarHBondContact O-NE2 3.15Å
253T97.4Very high96.5Very high57 Ų5735.4 Ų35.435%0.3518%0.18SC..PPolyproline II helixtrans-90.9153.8167.953.70000110.4P318 Q319 F322T253-P318 HydrophobicContact CG2-CB 4.3Å; T253-Q319 HydrophobicContact CG2-CG 4.48Å; T253-F322 HydrophobicContact CG2-CB 3.54Å; T253-F322 HydrophobicContact CG2-CD2 4.01Å; T253-F322 HydrophobicContact CG2-CG 3.85Å
254P97.6Very high96.5Very high3 Ų338.1 Ų38.12%0.01919%0.193CC..PPolyproline II helixtrans-80.3148.2172.531.4-31000111F248 I258 V259 T286 L287 F322F248-P254 HydrophobicContact CD1-CB 4.21Å; F248-P254 HydrophobicContact CD2-CB 4.1Å; F248-P254 HydrophobicContact CE1-CB 4.01Å; F248-P254 HydrophobicContact CE2-CB 3.85Å; F248-P254 HydrophobicContact CE2-CG 4.13Å; F248-P254 HydrophobicContact CG-CB 4.25Å; F248-P254 HydrophobicContact CZ-CB 3.8Å; F248-P254 HydrophobicContact CZ-CG 4.08Å; P254-I258 HydrophobicContact CB-CB 4.19Å; P254-I258 HydrophobicContact CB-CG2 3.86Å; P254-V259 HydrophobicContact CB-CG2 4.27Å; P254-V259 HydrophobicContact CG-CG2 4Å; P254-T286 HydrophobicContact CG-CG2 4.14Å; P254-L287 HydrophobicContact CB-CD2 4.04Å; P254-L287 HydrophobicContact CG-CD2 3.81Å; P254-L287 HydrophobicContact CG-CG 4.49Å; P254-F322 HydrophobicContact CG-CE1 3.68Å; P254-F322 HydrophobicContact CG-CZ 3.66Å; P254-F322 VanDerWaalsContact O-CE2 3.25Å; P254-F322 WeakPolarHBondContact O-CE2 3.35Å; P254-F322 WeakPolarHBondContact O-CZ 3.2Å
255N95.5Very high96.4Very high71 Ų7135 Ų3538%0.3818%0.181SC..PPolyproline II helixtrans-79.8164.3171.570.445.1000111.8T257 I258 V259N255-T257 PolarHBondContact O-N 2.9Å; N255-T257 VanDerWaalsContact O-N 3.14Å; N255-T257 WeakPolarHBondContact OD1-CA 3.46Å; N255-T257 WeakPolarHBondContact OD1-CB 3.35Å; N255-T257 PolarHBondContact OD1-N 3.42Å; N255-I258 WeakPolarHBondContact O-CB 3.44Å; N255-I258 PolarHBondContact O-N 2.65Å; N255-I258 PolarHBondContact OD1-N 2.82Å; N255-V259 PolarHBondContact O-N 3.19Å
256D95.8Very high96.4Very high82 Ų8233 Ų3344%0.43917%0.17SC..Hα-helixtrans-59.1-27.2-177.5-73.247.1000114R260 K326D256-R260 VanDerWaalsContact O-CB 3.32Å; D256-R260 WeakPolarHBondContact O-CB 3.34Å; D256-R260 WeakPolarHBondContact O-CG 3.32Å; D256-R260 PolarHBondContact O-N 3.46Å; D256-R260 PolarHBondContact O-NE 3.39Å; D256-K326 WeakPolarHBondContact OD1-CE 3.43Å; D256-K326 IonicContact OD1-NZ 2.68Å; D256-K326 PolarHBondContact OD1-NZ 2.99Å; D256-K326 IonicContact OD2-NZ 2.65Å; D256-K326 PolarHBondContact OD2-NZ 3.27Å
257T96.6Very high96.4Very high51 Ų5135.2 Ų35.231%0.31318%0.18SC..Hα-helixtrans-72.1-41.5176.7-640000111N255 R260 R261 I393N255-T257 PolarHBondContact O-N 2.9Å; N255-T257 VanDerWaalsContact O-N 3.14Å; N255-T257 WeakPolarHBondContact OD1-CA 3.46Å; N255-T257 WeakPolarHBondContact OD1-CB 3.35Å; N255-T257 PolarHBondContact OD1-N 3.42Å; T257-R260 PolarHBondContact OG1-NH2 3.16Å; T257-R261 VanDerWaalsContact O-CB 3.29Å; T257-R261 WeakPolarHBondContact O-CB 3.35Å; T257-R261 PolarHBondContact O-N 2.69Å; T257-I393 HydrophobicContact CG2-CD1 3.6Å; T257-I393 HydrophobicContact CG2-CG1 3.58Å
258I98.2Very high96.5Very high21 Ų2138.5 Ų38.511%0.10820%0.199CC..Hα-helixtrans-63.7-44.3172.4-67.1172.3000110.6L246 F247 F248 P254 N255 R261 F262 L287L246-I258 HydrophobicContact CB-CG2 4.4Å; F247-I258 VanDerWaalsContact O-CD1 3.28Å; F247-I258 WeakPolarHBondContact O-CD1 3.42Å; F248-I258 HydrophobicContact CB-CD1 3.81Å; F248-I258 HydrophobicContact CD1-CD1 4.27Å; F248-I258 HydrophobicContact CD1-CG2 4.2Å; F248-I258 HydrophobicContact CE1-CG2 4.39Å; F248-I258 HydrophobicContact CG-CD1 4.36Å; P254-I258 HydrophobicContact CB-CB 4.19Å; P254-I258 HydrophobicContact CB-CG2 3.86Å; N255-I258 WeakPolarHBondContact O-CB 3.44Å; N255-I258 PolarHBondContact O-N 2.65Å; N255-I258 PolarHBondContact OD1-N 2.82Å; I258-R261 PolarHBondContact O-N 3.36Å; I258-F262 VanDerWaalsContact O-CB 3.27Å; I258-F262 WeakPolarHBondContact O-CB 3.26Å; I258-F262 PolarHBondContact O-N 3Å; I258-L287 HydrophobicContact CG2-CD1 4.06Å; I258-L287 HydrophobicContact CG2-CD2 4.32Å
259V98.5Very high96.6Very high8 Ų838.7 Ų38.75%0.04820%0.202CC..Hα-helixtrans-61.4-50.3177.21770000111.1P254 N255 R261 F262 L263 L287 C290 F322 L330P254-V259 HydrophobicContact CB-CG2 4.27Å; P254-V259 HydrophobicContact CG-CG2 4Å; N255-V259 PolarHBondContact O-N 3.19Å; V259-R261 VanDerWaalsContact C-N 3.35Å; V259-R261 PolarHBondContact O-N 3.01Å; V259-F262 PolarHBondContact O-N 3.25Å; V259-L263 HydrophobicContact CG1-CD1 3.89Å; V259-L263 HydrophobicContact CG1-CG 4.47Å; V259-L263 VanDerWaalsContact O-CG 3.29Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.06Å; V259-L287 HydrophobicContact CG2-CD2 4.01Å; V259-C290 HydrophobicContact CG1-CB 4.22Å; V259-F322 HydrophobicContact CG2-CE1 4.49Å; V259-F322 HydrophobicContact CG2-CZ 3.95Å; V259-L330 HydrophobicContact CG1-CD2 4.31Å
260R97.7Very high96.7Very high127 Ų12745.8 Ų45.848%0.47924%0.235SC..Hα-helixtrans-58.7-44.3177.2-79.9-179.5-83.4100.61.1111.9D256 T257 H264D256-R260 VanDerWaalsContact O-CB 3.32Å; D256-R260 WeakPolarHBondContact O-CB 3.34Å; D256-R260 WeakPolarHBondContact O-CG 3.32Å; D256-R260 PolarHBondContact O-N 3.46Å; D256-R260 PolarHBondContact O-NE 3.39Å; T257-R260 PolarHBondContact OG1-NH2 3.16Å; R260-H264 WeakPolarHBondContact O-CB 3.36Å; R260-H264 PolarHBondContact O-N 3.19Å
261R97.8Very high97Very high37 Ų3746.3 Ų46.314%0.1424%0.242CC..Hα-helixtrans-67.5-41.8179.2-176.757.2173.6-174.2-7.4112.4L246 T257 I258 V259 H264 V265 D390 I393L246-R261 HydrophobicContact CD1-CG 4.33Å; L246-R261 HydrophobicContact CD2-CB 4.09Å; L246-R261 HydrophobicContact CD2-CG 3.42Å; L246-R261 VanDerWaalsContact CD2-CG 3.42Å; T257-R261 VanDerWaalsContact O-CB 3.29Å; T257-R261 WeakPolarHBondContact O-CB 3.35Å; T257-R261 PolarHBondContact O-N 2.69Å; I258-R261 PolarHBondContact O-N 3.36Å; V259-R261 VanDerWaalsContact C-N 3.35Å; V259-R261 PolarHBondContact O-N 3.01Å; R261-H264 PolarHBondContact O-N 3.43Å; R261-V265 WeakPolarHBondContact O-CG2 3.41Å; R261-V265 PolarHBondContact O-N 2.98Å; R261-D390 VanDerWaalsContact CZ-CG 3.5Å; R261-D390 IonicContact CZ-OD1 2.72Å; R261-D390 IonicContact CZ-OD2 3.54Å; R261-D390 VanDerWaalsContact CZ-OD2 3.23Å; R261-D390 IonicContact NH1-OD1 3.52Å; R261-D390 PolarHBondContact NH1-OD1 3.42Å; R261-D390 IonicContact NH1-OD2 2.66Å; R261-D390 PolarHBondContact NH1-OD2 3.3Å; R261-D390 VanDerWaalsContact NH2-CG 3.27Å; R261-D390 IonicContact NH2-OD1 3.52Å; R261-D390 IonicContact NH2-OD2 3.37Å; R261-D390 PolarHBondContact NH2-OD2 3.49Å; R261-I393 HydrophobicContact CB-CD1 4.4Å
262F98.8Very high97.5Very high0 Ų045.6 Ų45.60%024%0.235CC..Hα-helixtrans-59-49.8175.4175.3-93.6000111.5F187 I224 L246 I258 V259 H264 V265 C266 V275 L287 I288F187-F262 HydrophobicContact CE1-CE1 4.37Å; F187-F262 AromaticContact CE1-CZ 3.8Å; F187-F262 HydrophobicContact CE1-CZ 3.8Å; F187-F262 HydrophobicContact CZ-CE1 4.49Å; F187-F262 HydrophobicContact CZ-CZ 4.35Å; I224-F262 HydrophobicContact CD1-CD2 3.73Å; I224-F262 HydrophobicContact CD1-CE2 3.77Å; I224-F262 HydrophobicContact CG2-CD2 4.35Å; L246-F262 HydrophobicContact CD1-CB 3.93Å; L246-F262 HydrophobicContact CD1-CD2 4.35Å; I258-F262 VanDerWaalsContact O-CB 3.27Å; I258-F262 WeakPolarHBondContact O-CB 3.26Å; I258-F262 PolarHBondContact O-N 3Å; V259-F262 PolarHBondContact O-N 3.25Å; F262-H264 PolarHBondContact O-N 3.38Å; F262-V265 PolarHBondContact O-N 3.23Å; F262-C266 VanDerWaalsContact CZ-SG 3.56Å; F262-C266 WeakPolarHBondContact O-CB 3.38Å; F262-C266 PolarHBondContact O-N 2.94Å; F262-C266 PolarHBondContact O-SG 3.41Å; F262-V275 HydrophobicContact CE2-CG1 4.05Å; F262-V275 HydrophobicContact CE2-CG2 3.86Å; F262-V275 HydrophobicContact CZ-CG2 4.2Å; F262-L287 HydrophobicContact CB-CD1 4.15Å; F262-L287 HydrophobicContact CB-CD2 4.27Å; F262-L287 HydrophobicContact CD1-CB 3.84Å; F262-L287 HydrophobicContact CD2-CB 3.86Å; F262-L287 HydrophobicContact CD2-CD1 3.78Å; F262-L287 HydrophobicContact CD2-CG 4.38Å; F262-L287 VanDerWaalsContact CE1-C 3.44Å; F262-L287 HydrophobicContact CE1-CB 3.84Å; F262-L287 WeakPolarHBondContact CE1-O 3.28Å; F262-L287 HydrophobicContact CE2-CB 3.84Å; F262-L287 HydrophobicContact CE2-CD1 4.38Å; F262-L287 HydrophobicContact CG-CB 3.86Å; F262-L287 HydrophobicContact CG-CD1 3.97Å; F262-L287 HydrophobicContact CG-CD2 4.31Å; F262-L287 HydrophobicContact CG-CG 4.28Å; F262-L287 HydrophobicContact CZ-CB 3.83Å; F262-I288 HydrophobicContact CZ-CG1 4.25Å
263L98.5Very high97.7Very high4 Ų444 Ų442%0.02122%0.223CC..Hα-helixtrans-58.5-49.8177.8-69.2168.2000110.8V259 V265 C266 E267 Y291 K294 L330V259-L263 HydrophobicContact CG1-CD1 3.89Å; V259-L263 HydrophobicContact CG1-CG 4.47Å; V259-L263 VanDerWaalsContact O-CG 3.29Å; V259-L263 WeakPolarHBondContact O-CG 3.49Å; V259-L263 PolarHBondContact O-N 3.06Å; L263-V265 PolarHBondContact O-N 2.82Å; L263-C266 PolarHBondContact O-N 3.47Å; L263-C266 VanDerWaalsContact O-N 3.12Å; L263-E267 WeakPolarHBondContact O-CB 3.28Å; L263-E267 WeakPolarHBondContact O-CG 3.38Å; L263-E267 PolarHBondContact O-N 3.22Å; L263-Y291 HydrophobicContact CD2-CD2 3.97Å; L263-Y291 HydrophobicContact CD2-CG 4.37Å; L263-K294 HydrophobicContact CD1-CD 3.7Å; L263-K294 HydrophobicContact CD2-CD 4.07Å; L263-K294 HydrophobicContact CG-CD 4.4Å; L263-L330 HydrophobicContact CD1-CD2 3.84Å
264H98.1Very high97.7Very high88 Ų8841.2 Ų41.241%0.40721%0.207SC..Hα-helixtrans-57.5-45.9178.5176.680.5000113R260 R261 F262 C266 E267 N268R260-H264 WeakPolarHBondContact O-CB 3.36Å; R260-H264 PolarHBondContact O-N 3.19Å; R261-H264 PolarHBondContact O-N 3.43Å; F262-H264 PolarHBondContact O-N 3.38Å; H264-C266 VanDerWaalsContact C-N 3.35Å; H264-C266 PolarHBondContact O-N 3.41Å; H264-E267 PolarHBondContact O-N 3.03Å; H264-N268 PolarHBondContact CE1-ND2 3.16Å; H264-N268 PolarHBondContact ND1-ND2 3.38Å; H264-N268 PolarHBondContact O-N 2.76Å; H264-N268 PolarHBondContact O-ND2 2.89Å
265V98.4Very high97.8Very high7 Ų741.1 Ų41.14%0.04221%0.206CC..Hα-helixtrans-61.8-44.2176171.10000110.7T222 I224 Y244 R261 F262 L263 E267 N268 A269T222-V265 HydrophobicContact CG2-CG1 3.94Å; I224-V265 HydrophobicContact CD1-CB 4.36Å; I224-V265 HydrophobicContact CD1-CG1 3.82Å; I224-V265 HydrophobicContact CG1-CG1 4.29Å; Y244-V265 HydrophobicContact CD1-CG2 3.99Å; Y244-V265 HydrophobicContact CD2-CG1 3.6Å; Y244-V265 HydrophobicContact CD2-CG2 4.45Å; Y244-V265 HydrophobicContact CE1-CG2 3.98Å; Y244-V265 HydrophobicContact CE2-CG1 3.59Å; Y244-V265 HydrophobicContact CE2-CG2 4.44Å; Y244-V265 HydrophobicContact CG-CG1 4.12Å; Y244-V265 HydrophobicContact CG-CG2 4.22Å; R261-V265 WeakPolarHBondContact O-CG2 3.41Å; R261-V265 PolarHBondContact O-N 2.98Å; F262-V265 PolarHBondContact O-N 3.23Å; L263-V265 PolarHBondContact O-N 2.82Å; V265-E267 PolarHBondContact O-N 2.95Å; V265-N268 PolarHBondContact O-N 2.91Å; V265-A269 WeakPolarHBondContact O-CB 3.19Å; V265-A269 PolarHBondContact O-N 3.47Å
266C98.4Very high97.9Very high0 Ų037.7 Ų37.70%019%0.188CC..Hα-helixtrans-68.3-34.3-179.1-64.40000113.4K186 F187 F262 L263 H264 N268 Y291K186-C266 WeakPolarHBondContact CE-O 3.38Å; K186-C266 PolarHBondContact NZ-O 3.41Å; F187-C266 HydrophobicContact CE1-CB 4.26Å; F187-C266 VanDerWaalsContact CE1-SG 3.59Å; F187-C266 HydrophobicContact CZ-CB 3.83Å; F262-C266 VanDerWaalsContact CZ-SG 3.56Å; F262-C266 WeakPolarHBondContact O-CB 3.38Å; F262-C266 PolarHBondContact O-N 2.94Å; F262-C266 PolarHBondContact O-SG 3.41Å; L263-C266 PolarHBondContact O-N 3.47Å; L263-C266 VanDerWaalsContact O-N 3.12Å; H264-C266 VanDerWaalsContact C-N 3.35Å; H264-C266 PolarHBondContact O-N 3.41Å; C266-N268 VanDerWaalsContact C-N 3.35Å; C266-Y291 HydrophobicContact CB-CD2 3.82Å; C266-Y291 HydrophobicContact CB-CE2 3.72Å
267E97.7Very high98Very high57 Ų5734 Ų3427%0.26617%0.168SC..Hα-helixtrans-69-30.5177.5-74.8167.8163.300112.9L263 H264 V265 Y291 K294 H295L263-E267 WeakPolarHBondContact O-CB 3.28Å; L263-E267 WeakPolarHBondContact O-CG 3.38Å; L263-E267 PolarHBondContact O-N 3.22Å; H264-E267 PolarHBondContact O-N 3.03Å; V265-E267 PolarHBondContact O-N 2.95Å; E267-Y291 HydrophobicContact CG-CE2 4.38Å; E267-K294 IonicContact OE1-NZ 2.77Å; E267-K294 PolarHBondContact OE1-NZ 2.89Å; E267-H295 IonicContact OE1-CE1 3.92Å; E267-H295 PolarHBondContact OE1-CE1 2.72Å; E267-H295 IonicContact OE1-NE2 2.95Å; E267-H295 PolarHBondContact OE1-NE2 3.43Å
268N97.4Very high97.8Very high94 Ų9433.5 Ų33.550%0.50316%0.161SC..Hα-helixtrans-100.6-11.9-177.6-68.8-81.3000114H264 V265 C266 Q270H264-N268 PolarHBondContact CE1-ND2 3.16Å; H264-N268 PolarHBondContact ND1-ND2 3.38Å; H264-N268 PolarHBondContact O-N 2.76Å; H264-N268 PolarHBondContact O-ND2 2.89Å; V265-N268 PolarHBondContact O-N 2.91Å; C266-N268 VanDerWaalsContact C-N 3.35Å; N268-Q270 PolarHBondContact O-N 3.12Å; N268-Q270 PolarHBondContact O-NE2 2.88Å
269A97.6Very high97.7Very high14 Ų1432.7 Ų32.712%0.11616%0.158CC..  trans-62125.1174.900000111.8K186 V265 G271 V273K186-A269 PolarHBondContact NZ-O 3.48Å; V265-A269 WeakPolarHBondContact O-CB 3.19Å; V265-A269 PolarHBondContact O-N 3.47Å; A269-G271 VanDerWaalsContact C-N 3.34Å; A269-G271 PolarHBondContact O-N 3.18Å; A269-V273 HydrophobicContact CB-CG2 3.59Å
270Q95.7Very high97.6Very high181 Ų18132.3 Ų32.385%0.84616%0.156SC*.SBendtrans-70.4-25.9-174.4-61-59.1-65.100113.7N268N268-Q270 PolarHBondContact O-N 3.12Å; N268-Q270 PolarHBondContact O-NE2 2.88Å
271G97.8Very high97.6Very high19 Ų1926.3 Ų26.320%0.19613%0.133CC..SBendtrans-130.6-147.2174.800000112.9K186 T221 A269K186-G271 PolarHBondContact NZ-O 2.94Å; T221-G271 PolarHBondContact OG1-N 3.15Å; T221-G271 VanDerWaalsContact OG1-N 3.09Å; A269-G271 VanDerWaalsContact C-N 3.34Å; A269-G271 PolarHBondContact O-N 3.18Å
272A98.7Very high97.6Very high2 Ų224.9 Ų24.92%0.01713%0.13CC..EExtended strand (participates in β ladder)trans-72.3146.117800000111.6W181 G185 G219 V220 T221 T222W181-A272 HydrophobicContact CH2-CB 3.68Å; W181-A272 HydrophobicContact CZ3-CB 3.84Å; G185-A272 WeakPolarHBondContact O-CB 3.41Å; G219-A272 PolarHBondContact O-N 3.48Å; V220-A272 WeakPolarHBondContact CA-O 3.48Å; V220-A272 HydrophobicContact CB-CB 4.5Å; V220-A272 HydrophobicContact CG2-CB 3.98Å; T221-A272 PolarHBondContact N-O 2.92Å; T222-A272 PolarHBondContact N-O 2.84Å
273V98.9Very high97.6Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-107.6118.7177.8-171.70000108.8K186 F187 L188 T222 I224 A269 V275K186-V273 PolarHBondContact O-N 3.37Å; F187-V273 HydrophobicContact CD1-CB 4.25Å; F187-V273 HydrophobicContact CE1-CB 4.14Å; L188-V273 PolarHBondContact N-O 3.45Å; T222-V273 HydrophobicContact CG2-CG1 4.41Å; T222-V273 CarbonylContact O-C 3.55Å; T222-V273 WeakPolarHBondContact O-CA 3.38Å; I224-V273 HydrophobicContact CD1-CG1 3.66Å; I224-V273 HydrophobicContact CG1-CG1 3.87Å; A269-V273 HydrophobicContact CB-CG2 3.59Å; V273-V275 HydrophobicContact CG1-CG2 3.86Å
274A98.9Very high97.6Very high0 Ų024.8 Ų24.80%013%0.129CC..EExtended strand (participates in β ladder)trans-94116.2173.700000109.7L188 F190 F215 V220 T222 I223 I224L188-A274 HydrophobicContact CB-CB 4.39Å; L188-A274 HydrophobicContact CD2-CB 4.4Å; L188-A274 CarbonylContact O-C 3.59Å; L188-A274 WeakPolarHBondContact O-CA 3.24Å; F190-A274 HydrophobicContact CD1-CB 4.07Å; F190-A274 HydrophobicContact CE1-CB 3.65Å; F215-A274 HydrophobicContact CD2-CB 4.49Å; F215-A274 HydrophobicContact CE1-CB 4.27Å; F215-A274 HydrophobicContact CE2-CB 3.8Å; F215-A274 HydrophobicContact CZ-CB 3.67Å; V220-A274 HydrophobicContact CG1-CB 3.7Å; T222-A274 PolarHBondContact O-N 3.31Å; I223-A274 CarbonylContact C-O 3.43Å; I223-A274 VanDerWaalsContact CA-O 3.32Å; I223-A274 WeakPolarHBondContact CA-O 3.33Å; I223-A274 HydrophobicContact CG1-CB 4.39Å; I224-A274 PolarHBondContact N-O 2.74Å
275V98.9Very high97.6Very high0 Ų020.6 Ų20.60%011%0.11CC..EExtended strand (participates in β ladder)trans-113.9129.6-173.8-171.10000109.8F187 L188 F190 I224 L226 F262 V273 T284 I288F187-V275 HydrophobicContact CD1-CG2 4.17Å; F187-V275 HydrophobicContact CE1-CG2 4.37Å; L188-V275 PolarHBondContact O-N 2.74Å; F190-V275 PolarHBondContact N-O 2.9Å; I224-V275 HydrophobicContact CB-CG1 4.36Å; I224-V275 HydrophobicContact CB-CG2 4.42Å; L226-V275 HydrophobicContact CD1-CG1 3.76Å; L226-V275 HydrophobicContact CG-CG1 4.18Å; F262-V275 HydrophobicContact CE2-CG1 4.05Å; F262-V275 HydrophobicContact CE2-CG2 3.86Å; F262-V275 HydrophobicContact CZ-CG2 4.2Å; V273-V275 HydrophobicContact CG1-CG2 3.86Å; V275-T284 HydrophobicContact CB-CG2 4.05Å; V275-T284 HydrophobicContact CG1-CG2 3.99Å; V275-T284 VanDerWaalsContact O-CG2 3.26Å; V275-T284 WeakPolarHBondContact O-CG2 3.5Å; V275-I288 HydrophobicContact CB-CD1 4.29Å; V275-I288 HydrophobicContact CG2-CD1 4.43Å; V275-I288 HydrophobicContact CG2-CG1 4.38Å
276H98.6Very high97.6Very high0 Ų020.3 Ų20.30%011%0.108CC..EExtended strand (participates in β ladder)trans-136.3156.1176.280.883.1000113.4F190 G192 I224 R225 L226 N227 Y231F190-H276 HydrophobicContact CD1-CB 3.81Å; F190-H276 HydrophobicContact CD2-CB 4.32Å; F190-H276 HydrophobicContact CE1-CB 3.66Å; F190-H276 AromaticContact CE1-CD2 3.87Å; F190-H276 HydrophobicContact CE2-CB 4.22Å; F190-H276 HydrophobicContact CG-CB 4.13Å; F190-H276 HydrophobicContact CZ-CB 3.89Å; F190-H276 AromaticContact CZ-CD2 3.49Å; F190-H276 VanDerWaalsContact CZ-CD2 3.49Å; F190-H276 WeakPolarHBondContact CZ-CD2 3.28Å; F190-H276 AromaticContact CZ-CG 3.97Å; F190-H276 WeakPolarHBondContact O-CA 3.31Å; F190-H276 WeakPolarHBondContact O-CB 3.47Å; G192-H276 WeakPolarHBondContact CA-ND1 3.42Å; I224-H276 PolarHBondContact O-N 3.28Å; R225-H276 WeakPolarHBondContact CB-NE2 3.46Å; R225-H276 WeakPolarHBondContact CG-CE1 3.45Å; L226-H276 WeakPolarHBondContact CB-O 3.29Å; L226-H276 WeakPolarHBondContact CG-O 3.27Å; L226-H276 PolarHBondContact N-O 3.26Å; N227-H276 PolarHBondContact OD1-CE1 3.09Å; N227-H276 PolarHBondContact OD1-ND1 2.79Å; N227-H276 VanDerWaalsContact OD1-ND1 3.14Å; Y231-H276 AromaticContact CE1-CE1 3.63Å; Y231-H276 AromaticContact CE1-NE2 3.52Å; Y231-H276 AromaticContact CZ-NE2 3.53Å; Y231-H276 PolarHBondContact OH-NE2 2.96Å
277C96.4Very high97.7Very high3 Ų320.3 Ų20.32%0.0211%0.108CC..  trans-122.9-134.2162.770.70000107.8G192 L226 N227 G280 R283 T284G192-C277 WeakPolarHBondContact CA-O 3.47Å; G192-C277 PolarHBondContact N-O 3.47Å; L226-C277 HydrophobicContact CB-CB 4Å; N227-C277 VanDerWaalsContact CG-C 3.5Å; N227-C277 WeakPolarHBondContact OD1-CA 3.41Å; N227-C277 PolarHBondContact OD1-O 2.91Å; C277-G280 PolarHBondContact SG-N 3.18Å; C277-R283 HydrophobicContact CB-CB 3.79Å; C277-T284 PolarHBondContact N-OG1 2.8Å
278K94Very high97.7Very high41 Ų4117.6 Ų17.618%0.17810%0.095CC..SBendtrans-75.2-81.2166.4-156.5155.4-1711730110.5S191 G192 G280 D417 R420S191-K278 PolarHBondContact OG-O 3.34Å; G192-K278 PolarHBondContact N-O 3.06Å; K278-G280 PolarHBondContact O-N 3.09Å; K278-D417 VanDerWaalsContact CE-CG 3.4Å; K278-D417 VanDerWaalsContact CE-OD1 3.25Å; K278-D417 WeakPolarHBondContact CE-OD1 3.21Å; K278-D417 WeakPolarHBondContact CE-OD2 3.4Å; K278-D417 IonicContact NZ-OD1 3.51Å; K278-D417 PolarHBondContact NZ-OD1 3.44Å; K278-D417 IonicContact NZ-OD2 2.75Å; K278-D417 PolarHBondContact NZ-OD2 2.57Å; K278-R420 PolarHBondContact O-NH2 3.46Å
279A94.2Very high97.8Very high5 Ų513.1 Ų13.14%0.0417%0.071CC..SBendtrans-73-8.2178.200000115L281 R311 L419A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 HydrophobicContact CB-CD1 4.07Å; A279-L281 HydrophobicContact CB-CG 4.1Å; A279-L281 PolarHBondContact O-N 2.98Å; A279-R311 PolarHBondContact O-NH2 2.68Å; A279-L419 HydrophobicContact CB-CB 3.81Å
280G96.9Very high97.9Very high0 Ų012.4 Ų12.40%07%0.066CC..SBendtrans72.722.9-176.300000114.4F190 C277 K278 T284 R311F190-G280 WeakPolarHBondContact O-CA 3.5Å; C277-G280 PolarHBondContact SG-N 3.18Å; K278-G280 PolarHBondContact O-N 3.09Å; G280-T284 WeakPolarHBondContact CA-OG1 3.32Å; G280-R311 PolarHBondContact O-NE 3.23Å
281L97.7Very high98Very high1 Ų14.8 Ų4.81%0.0053%0.029CC..SBendtrans-114.8-75.2-170.3-61.9178.3000113F47 A279 G285 R311 P312 V315 I316 L419F47-L281 HydrophobicContact CD1-CD1 4.28Å; F47-L281 HydrophobicContact CE1-CD1 3.61Å; F47-L281 HydrophobicContact CE2-CD1 4.16Å; F47-L281 HydrophobicContact CZ-CD1 3.55Å; A279-L281 VanDerWaalsContact C-N 3.33Å; A279-L281 HydrophobicContact CB-CD1 4.07Å; A279-L281 HydrophobicContact CB-CG 4.1Å; A279-L281 PolarHBondContact O-N 2.98Å; L281-G285 WeakPolarHBondContact O-CA 3.45Å; L281-G285 PolarHBondContact O-N 3.44Å; L281-R311 HydrophobicContact CD2-CG 3.85Å; L281-P312 VanDerWaalsContact CD2-O 3.28Å; L281-P312 WeakPolarHBondContact CD2-O 3.27Å; L281-V315 PolarHBondContact O-N 3.4Å; L281-I316 HydrophobicContact CB-CD1 4.02Å; L281-L419 HydrophobicContact CD1-CB 4.45Å; L281-L419 HydrophobicContact CD1-CD1 4.38Å
282G97.9Very high98.1Very high6 Ų63.9 Ų3.96%0.0622%0.02CC..Hα-helixtrans-63.6-78-174.700000113.6T284 G285 T286 Q319G282-T284 VanDerWaalsContact C-N 3.28Å; G282-T284 PolarHBondContact O-N 3.36Å; G282-G285 PolarHBondContact O-N 3.37Å; G282-T286 PolarHBondContact O-N 3.13Å; G282-T286 PolarHBondContact O-OG1 3.47Å; G282-Q319 PolarHBondContact O-OE1 3.27Å
283R98.6Very high98.1Very high2 Ų23.8 Ų3.81%0.0082%0.019CC..Hα-helixtrans-50.8-45179.4-63.9-176.4-90.3-172.3-6.6112.8L226 F248 D250 C277 T286 L287L226-R283 HydrophobicContact CB-CB 4.26Å; L226-R283 HydrophobicContact CD1-CB 4.08Å; L226-R283 PolarHBondContact O-NH1 3.42Å; L226-R283 VanDerWaalsContact O-NH1 3.15Å; F248-R283 HydrophobicContact CD2-CG 4.07Å; F248-R283 HydrophobicContact CE1-CB 4Å; F248-R283 HydrophobicContact CE1-CG 4.25Å; F248-R283 HydrophobicContact CE2-CB 3.91Å; F248-R283 HydrophobicContact CE2-CG 3.49Å; F248-R283 VanDerWaalsContact CE2-CG 3.49Å; F248-R283 HydrophobicContact CZ-CB 3.44Å; F248-R283 VanDerWaalsContact CZ-CB 3.44Å; F248-R283 HydrophobicContact CZ-CG 3.59Å; F248-R283 WeakPolarHBondContact O-CD 3.31Å; F248-R283 PolarHBondContact O-NH1 3.04Å; D250-R283 VanDerWaalsContact CB-NH2 3.3Å; D250-R283 IonicContact OD1-CZ 2.78Å; D250-R283 IonicContact OD1-NE 2.62Å; D250-R283 PolarHBondContact OD1-NE 3.43Å; D250-R283 VanDerWaalsContact OD1-NE 3.12Å; D250-R283 IonicContact OD1-NH2 3.55Å; D250-R283 PolarHBondContact OD1-NH2 2.89Å; C277-R283 HydrophobicContact CB-CB 3.79Å; R283-T286 PolarHBondContact O-N 2.96Å; R283-L287 PolarHBondContact O-N 2.96Å
284T98.8Very high98Very high0 Ų04.1 Ų4.10%02%0.021CC..Hα-helixtrans-59-56.3176.8-58.10000112.3A189 V275 C277 G280 G282 T286 L287 I288A189-T284 HydrophobicContact CB-CG2 3.68Å; V275-T284 HydrophobicContact CB-CG2 4.05Å; V275-T284 HydrophobicContact CG1-CG2 3.99Å; V275-T284 VanDerWaalsContact O-CG2 3.26Å; V275-T284 WeakPolarHBondContact O-CG2 3.5Å; C277-T284 PolarHBondContact N-OG1 2.8Å; G280-T284 WeakPolarHBondContact CA-OG1 3.32Å; G282-T284 VanDerWaalsContact C-N 3.28Å; G282-T284 PolarHBondContact O-N 3.36Å; T284-T286 VanDerWaalsContact C-N 3.26Å; T284-T286 PolarHBondContact O-N 3.34Å; T284-L287 PolarHBondContact O-N 3.17Å; T284-I288 HydrophobicContact CG2-CD1 3.86Å; T284-I288 WeakPolarHBondContact O-CG1 3.38Å; T284-I288 PolarHBondContact O-N 3.27Å; T284-I288 VanDerWaalsContact O-N 3.15Å
285G98.8Very high98Very high1 Ų16.6 Ų6.61%0.013%0.032CC..Hα-helixtrans-63.4-32.8-179.400000112.6L281 G282 G289 I307L281-G285 WeakPolarHBondContact O-CA 3.45Å; L281-G285 PolarHBondContact O-N 3.44Å; G282-G285 PolarHBondContact O-N 3.37Å; G285-G289 PolarHBondContact O-N 3.47Å; G285-I307 WeakPolarHBondContact O-CD1 3.4Å
286T98.9Very high97.9Very high0 Ų09.1 Ų9.10%04%0.042CC..Hα-helixtrans-60.6-53.6177.9-510000111.1P254 G282 R283 T284 G289 C290 Q319 F322 L323P254-T286 HydrophobicContact CG-CG2 4.14Å; G282-T286 PolarHBondContact O-N 3.13Å; G282-T286 PolarHBondContact O-OG1 3.47Å; R283-T286 PolarHBondContact O-N 2.96Å; T284-T286 VanDerWaalsContact C-N 3.26Å; T284-T286 PolarHBondContact O-N 3.34Å; T286-G289 PolarHBondContact O-N 3.42Å; T286-C290 PolarHBondContact O-N 3.13Å; T286-C290 PolarHBondContact O-SG 2.9Å; T286-C290 VanDerWaalsContact O-SG 3.38Å; T286-Q319 HydrophobicContact CG2-CB 4.27Å; T286-Q319 HydrophobicContact CG2-CG 4.43Å; T286-Q319 WeakPolarHBondContact OG1-CB 3.45Å; T286-Q319 WeakPolarHBondContact OG1-CG 3.37Å; T286-Q319 PolarHBondContact OG1-OE1 2.81Å; T286-F322 HydrophobicContact CG2-CD1 3.72Å; T286-F322 HydrophobicContact CG2-CE1 3.9Å; T286-L323 HydrophobicContact CG2-CD2 3.95Å; T286-L323 HydrophobicContact CG2-CG 4.46Å; T286-L323 WeakPolarHBondContact O-CD2 3.45Å
287L98.9Very high97.8Very high0 Ų012.9 Ų12.90%06%0.056CC..Hα-helixtrans-70.2-38.1-178-71.5-179.8000112.8L226 F248 P254 I258 V259 F262 R283 T284 G289 C290 Y291L226-L287 HydrophobicContact CD1-CD1 3.87Å; L226-L287 HydrophobicContact CD2-CD1 3.53Å; L226-L287 HydrophobicContact CG-CD1 4.34Å; F248-L287 HydrophobicContact CE1-CD1 3.87Å; F248-L287 HydrophobicContact CE1-CG 4.36Å; F248-L287 HydrophobicContact CZ-CD1 4.41Å; F248-L287 HydrophobicContact CZ-CG 4.43Å; P254-L287 HydrophobicContact CB-CD2 4.04Å; P254-L287 HydrophobicContact CG-CD2 3.81Å; P254-L287 HydrophobicContact CG-CG 4.49Å; I258-L287 HydrophobicContact CG2-CD1 4.06Å; I258-L287 HydrophobicContact CG2-CD2 4.32Å; V259-L287 HydrophobicContact CG2-CD2 4.01Å; F262-L287 HydrophobicContact CB-CD1 4.15Å; F262-L287 HydrophobicContact CB-CD2 4.27Å; F262-L287 HydrophobicContact CD1-CB 3.84Å; F262-L287 HydrophobicContact CD2-CB 3.86Å; F262-L287 HydrophobicContact CD2-CD1 3.78Å; F262-L287 HydrophobicContact CD2-CG 4.38Å; F262-L287 VanDerWaalsContact CE1-C 3.44Å; F262-L287 HydrophobicContact CE1-CB 3.84Å; F262-L287 WeakPolarHBondContact CE1-O 3.28Å; F262-L287 HydrophobicContact CE2-CB 3.84Å; F262-L287 HydrophobicContact CE2-CD1 4.38Å; F262-L287 HydrophobicContact CG-CB 3.86Å; F262-L287 HydrophobicContact CG-CD1 3.97Å; F262-L287 HydrophobicContact CG-CD2 4.31Å; F262-L287 HydrophobicContact CG-CG 4.28Å; F262-L287 HydrophobicContact CZ-CB 3.83Å; R283-L287 PolarHBondContact O-N 2.96Å; T284-L287 PolarHBondContact O-N 3.17Å; L287-G289 VanDerWaalsContact C-N 3.28Å; L287-G289 PolarHBondContact O-N 2.93Å; L287-C290 WeakPolarHBondContact O-CB 3.42Å; L287-C290 PolarHBondContact O-N 3.4Å; L287-Y291 PolarHBondContact O-N 2.86Å
288I98.9Very high97.9Very high0 Ų012.7 Ų12.70%06%0.055CC..Hα-helixtrans-61.7-40171.9-62.2170.6000110.2I182 F187 A189 F262 V275 T284 C290 Y291 L292I182-I288 HydrophobicContact CB-CG2 4.25Å; I182-I288 HydrophobicContact CG1-CD1 4.16Å; I182-I288 HydrophobicContact CG2-CG2 3.76Å; F187-I288 HydrophobicContact CB-CD1 4.43Å; F187-I288 HydrophobicContact CB-CG2 4.29Å; F187-I288 HydrophobicContact CD1-CD1 4.34Å; F187-I288 HydrophobicContact CD1-CG1 3.94Å; F187-I288 HydrophobicContact CD1-CG2 4.46Å; F187-I288 HydrophobicContact CD2-CG2 4.35Å; F187-I288 HydrophobicContact CE1-CG1 4.39Å; F187-I288 HydrophobicContact CG-CG1 4.37Å; F187-I288 HydrophobicContact CG-CG2 4.11Å; A189-I288 HydrophobicContact CB-CD1 4.03Å; F262-I288 HydrophobicContact CZ-CG1 4.25Å; V275-I288 HydrophobicContact CB-CD1 4.29Å; V275-I288 HydrophobicContact CG2-CD1 4.43Å; V275-I288 HydrophobicContact CG2-CG1 4.38Å; T284-I288 HydrophobicContact CG2-CD1 3.86Å; T284-I288 WeakPolarHBondContact O-CG1 3.38Å; T284-I288 PolarHBondContact O-N 3.27Å; T284-I288 VanDerWaalsContact O-N 3.15Å; I288-C290 VanDerWaalsContact C-N 3.34Å; I288-C290 PolarHBondContact O-N 2.85Å; I288-Y291 WeakPolarHBondContact O-CB 3.36Å; I288-Y291 PolarHBondContact O-N 2.93Å; I288-L292 HydrophobicContact CG2-CG 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.25Å; I288-L292 PolarHBondContact O-N 2.82Å
289G98.8Very high98.2Very high0 Ų012.2 Ų12.20%06%0.056CC..Hα-helixtrans-57.5-41.5173.300000113.2G285 T286 L287 Y291 L292 M293G285-G289 PolarHBondContact O-N 3.47Å; T286-G289 PolarHBondContact O-N 3.42Å; L287-G289 VanDerWaalsContact C-N 3.28Å; L287-G289 PolarHBondContact O-N 2.93Å; G289-Y291 VanDerWaalsContact C-N 3.3Å; G289-Y291 PolarHBondContact O-N 3.18Å; G289-L292 PolarHBondContact O-N 2.94Å; G289-M293 WeakPolarHBondContact O-CG 3.37Å; G289-M293 PolarHBondContact O-N 3.19Å
290C98.9Very high98.4Very high0 Ų012 Ų120%05%0.054CC..Hα-helixtrans-58.6-40.5172.9-62.40000112.4V259 T286 L287 I288 K294 L330V259-C290 HydrophobicContact CG1-CB 4.22Å; T286-C290 PolarHBondContact O-N 3.13Å; T286-C290 PolarHBondContact O-SG 2.9Å; T286-C290 VanDerWaalsContact O-SG 3.38Å; L287-C290 WeakPolarHBondContact O-CB 3.42Å; L287-C290 PolarHBondContact O-N 3.4Å; I288-C290 VanDerWaalsContact C-N 3.34Å; I288-C290 PolarHBondContact O-N 2.85Å; C290-K294 WeakPolarHBondContact O-CB 3.49Å; C290-K294 PolarHBondContact O-N 2.7Å; C290-L330 HydrophobicContact CB-CD1 3.83Å
291Y98.8Very high98.5Very high20 Ų2012.3 Ų12.38%0.0786%0.057CC..Hα-helixtrans-67.2-43.1174.8-167.5-74.8000111.6F187 L263 C266 E267 L287 I288 G289 M293 K294 H295 Y296F187-Y291 HydrophobicContact CD2-CD1 4.46Å; F187-Y291 AromaticContact CE2-CD1 3.45Å; F187-Y291 HydrophobicContact CE2-CD1 3.45Å; F187-Y291 VanDerWaalsContact CE2-CD1 3.45Å; F187-Y291 AromaticContact CE2-CD2 3.89Å; F187-Y291 HydrophobicContact CE2-CD2 3.89Å; F187-Y291 AromaticContact CE2-CE1 3.73Å; F187-Y291 HydrophobicContact CE2-CE1 3.73Å; F187-Y291 HydrophobicContact CE2-CE2 4.14Å; F187-Y291 AromaticContact CE2-CG 3.53Å; F187-Y291 HydrophobicContact CE2-CG 3.53Å; F187-Y291 HydrophobicContact CZ-CD1 4.06Å; F187-Y291 AromaticContact CZ-CD2 3.63Å; F187-Y291 HydrophobicContact CZ-CD2 3.63Å; F187-Y291 HydrophobicContact CZ-CE1 4.42Å; F187-Y291 HydrophobicContact CZ-CE2 4.03Å; F187-Y291 AromaticContact CZ-CG 3.63Å; F187-Y291 HydrophobicContact CZ-CG 3.63Å; L263-Y291 HydrophobicContact CD2-CD2 3.97Å; L263-Y291 HydrophobicContact CD2-CG 4.37Å; C266-Y291 HydrophobicContact CB-CD2 3.82Å; C266-Y291 HydrophobicContact CB-CE2 3.72Å; E267-Y291 HydrophobicContact CG-CE2 4.38Å; L287-Y291 PolarHBondContact O-N 2.86Å; I288-Y291 WeakPolarHBondContact O-CB 3.36Å; I288-Y291 PolarHBondContact O-N 2.93Å; G289-Y291 VanDerWaalsContact C-N 3.3Å; G289-Y291 PolarHBondContact O-N 3.18Å; Y291-M293 VanDerWaalsContact C-N 3.33Å; Y291-M293 PolarHBondContact O-N 2.91Å; Y291-K294 PolarHBondContact O-N 2.93Å; Y291-H295 HydrophobicContact CD1-CB 3.94Å; Y291-H295 AromaticContact CD1-CD2 3.56Å; Y291-H295 AromaticContact CD1-CG 3.91Å; Y291-H295 AromaticContact CD2-CD2 3.55Å; Y291-H295 AromaticContact CD2-NE2 3.81Å; Y291-H295 HydrophobicContact CE1-CB 3.64Å; Y291-H295 AromaticContact CE1-CD2 3.56Å; Y291-H295 AromaticContact CE1-CG 3.55Å; Y291-H295 AromaticContact CE2-CD2 3.56Å; Y291-H295 AromaticContact CE2-NE2 3.65Å; Y291-H295 AromaticContact CG-CD2 3.56Å; Y291-H295 AromaticContact CZ-CD2 3.58Å; Y291-H295 AromaticContact CZ-CG 3.68Å; Y291-H295 AromaticContact CZ-NE2 3.98Å; Y291-H295 PolarHBondContact O-CD2 2.78Å; Y291-H295 PolarHBondContact O-N 2.95Å; Y291-Y296 HydrophobicContact CD1-CD2 4.37Å; Y291-Y296 AromaticContact CD1-CE2 3.95Å; Y291-Y296 HydrophobicContact CD1-CE2 3.95Å; Y291-Y296 HydrophobicContact CE1-CD2 4.39Å; Y291-Y296 AromaticContact CE1-CE2 3.64Å; Y291-Y296 HydrophobicContact CE1-CE2 3.64Å
292L98.8Very high98.5Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-58-44.2177.4-67.1-173.2000112.1F157 I182 V183 I288 G289 Y296 R297 F298 A303 I307F157-L292 HydrophobicContact CE2-CD2 3.83Å; F157-L292 HydrophobicContact CZ-CD2 4.16Å; I182-L292 HydrophobicContact CG2-CD1 4.46Å; V183-L292 HydrophobicContact CG2-CD2 3.65Å; I288-L292 HydrophobicContact CG2-CG 4.43Å; I288-L292 WeakPolarHBondContact O-CG 3.25Å; I288-L292 PolarHBondContact O-N 2.82Å; G289-L292 PolarHBondContact O-N 2.94Å; L292-Y296 HydrophobicContact CD2-CD2 4.04Å; L292-Y296 HydrophobicContact CD2-CE2 4.39Å; L292-Y296 CarbonylContact O-C 3.6Å; L292-Y296 WeakPolarHBondContact O-CA 3.5Å; L292-Y296 WeakPolarHBondContact O-CB 3.25Å; L292-Y296 PolarHBondContact O-N 3.44Å; L292-R297 PolarHBondContact O-N 3.27Å; L292-F298 HydrophobicContact CB-CB 4.31Å; L292-F298 HydrophobicContact CB-CD2 4.15Å; L292-F298 HydrophobicContact CB-CG 4.22Å; L292-A303 HydrophobicContact CB-CB 4.26Å; L292-A303 HydrophobicContact CD1-CB 4.31Å; L292-I307 HydrophobicContact CD1-CD1 3.97Å; L292-I307 HydrophobicContact CD1-CG1 3.81Å
293M98.7Very high98.6Very high0 Ų012.7 Ų12.70%06%0.057CC..Hα-helixtrans-65.7-46.8175.9-64.1-169.3-79.200112G289 Y291 R297 F298 A300 A303 L323 Q327 L330 W331G289-M293 WeakPolarHBondContact O-CG 3.37Å; G289-M293 PolarHBondContact O-N 3.19Å; Y291-M293 VanDerWaalsContact C-N 3.33Å; Y291-M293 PolarHBondContact O-N 2.91Å; M293-R297 WeakPolarHBondContact O-CA 3.49Å; M293-R297 PolarHBondContact O-N 3.12Å; M293-F298 VanDerWaalsContact CG-O 3.3Å; M293-F298 WeakPolarHBondContact CG-O 3.28Å; M293-A300 HydrophobicContact SD-CB 3.96Å; M293-A303 HydrophobicContact CG-CB 4.42Å; M293-L323 HydrophobicContact CE-CB 3.8Å; M293-L323 HydrophobicContact CE-CD2 3.65Å; M293-L323 HydrophobicContact CE-CG 4.22Å; M293-L323 WeakPolarHBondContact CE-O 3.49Å; M293-Q327 HydrophobicContact SD-CB 3.8Å; M293-Q327 HydrophobicContact SD-CG 4.01Å; M293-L330 HydrophobicContact CB-CB 4.42Å; M293-L330 HydrophobicContact CB-CD1 4.34Å; M293-L330 HydrophobicContact CE-CD1 3.74Å; M293-W331 PolarHBondContact O-NE1 3.31Å
294K98.3Very high98.6Very high8 Ų812.6 Ų12.64%0.0356%0.057CC..Hα-helixtrans-66-46.2-178.1-176.5170-175.3-76.50113.1L263 E267 C290 Y291 L330 Q333 S334 T337L263-K294 HydrophobicContact CD1-CD 3.7Å; L263-K294 HydrophobicContact CD2-CD 4.07Å; L263-K294 HydrophobicContact CG-CD 4.4Å; E267-K294 IonicContact OE1-NZ 2.77Å; E267-K294 PolarHBondContact OE1-NZ 2.89Å; C290-K294 WeakPolarHBondContact O-CB 3.49Å; C290-K294 PolarHBondContact O-N 2.7Å; Y291-K294 PolarHBondContact O-N 2.93Å; K294-L330 HydrophobicContact CB-CB 4.19Å; K294-L330 HydrophobicContact CB-CD2 4.32Å; K294-L330 HydrophobicContact CD-CD2 4.43Å; K294-Q333 HydrophobicContact CD-CB 4.47Å; K294-S334 WeakPolarHBondContact O-CB 3.42Å; K294-S334 PolarHBondContact O-OG 3.19Å; K294-T337 PolarHBondContact NZ-OG1 3.29Å
295H97.7Very high98.6Very high52 Ų5212.6 Ų12.624%0.2416%0.057CC..Hα-helixtrans-95.4-25.7-169.8-66.2-86.7000113.9E267 Y291E267-H295 IonicContact OE1-CE1 3.92Å; E267-H295 PolarHBondContact OE1-CE1 2.72Å; E267-H295 IonicContact OE1-NE2 2.95Å; E267-H295 PolarHBondContact OE1-NE2 3.43Å; Y291-H295 HydrophobicContact CD1-CB 3.94Å; Y291-H295 AromaticContact CD1-CD2 3.56Å; Y291-H295 AromaticContact CD1-CG 3.91Å; Y291-H295 AromaticContact CD2-CD2 3.55Å; Y291-H295 AromaticContact CD2-NE2 3.81Å; Y291-H295 HydrophobicContact CE1-CB 3.64Å; Y291-H295 AromaticContact CE1-CD2 3.56Å; Y291-H295 AromaticContact CE1-CG 3.55Å; Y291-H295 AromaticContact CE2-CD2 3.56Å; Y291-H295 AromaticContact CE2-NE2 3.65Å; Y291-H295 AromaticContact CG-CD2 3.56Å; Y291-H295 AromaticContact CZ-CD2 3.58Å; Y291-H295 AromaticContact CZ-CG 3.68Å; Y291-H295 AromaticContact CZ-NE2 3.98Å; Y291-H295 PolarHBondContact O-CD2 2.78Å; Y291-H295 PolarHBondContact O-N 2.95Å
296Y97.3Very high98.6Very high52 Ų5212.8 Ų12.820%0.2046%0.057CC..Hα-helixtrans-127.810.1-172.3-54.6-80.5000113.5H155 F157 Y291 L292 F298H155-Y296 HydrophobicContact CB-CD1 4.02Å; H155-Y296 HydrophobicContact CB-CE1 4.44Å; H155-Y296 AromaticContact CG-CD1 3.7Å; H155-Y296 AromaticContact ND1-CD1 3.79Å; H155-Y296 PolarHBondContact NE2-O 2.63Å; H155-Y296 VanDerWaalsContact NE2-O 3.13Å; F157-Y296 AromaticContact CE1-CD1 3.98Å; F157-Y296 HydrophobicContact CE1-CD1 3.98Å; F157-Y296 HydrophobicContact CE1-CD2 4.44Å; F157-Y296 AromaticContact CE1-CE1 3.66Å; F157-Y296 HydrophobicContact CE1-CE1 3.66Å; F157-Y296 HydrophobicContact CE1-CE2 4.12Å; F157-Y296 HydrophobicContact CE1-CG 4.35Å; F157-Y296 AromaticContact CE1-CZ 3.72Å; F157-Y296 AromaticContact CZ-CD1 3.68Å; F157-Y296 HydrophobicContact CZ-CD1 3.68Å; F157-Y296 AromaticContact CZ-CD2 3.61Å; F157-Y296 HydrophobicContact CZ-CD2 3.61Å; F157-Y296 AromaticContact CZ-CE1 3.74Å; F157-Y296 HydrophobicContact CZ-CE1 3.74Å; F157-Y296 AromaticContact CZ-CE2 3.64Å; F157-Y296 HydrophobicContact CZ-CE2 3.64Å; F157-Y296 AromaticContact CZ-CG 3.6Å; F157-Y296 HydrophobicContact CZ-CG 3.6Å; F157-Y296 AromaticContact CZ-CZ 3.71Å; Y291-Y296 HydrophobicContact CD1-CD2 4.37Å; Y291-Y296 AromaticContact CD1-CE2 3.95Å; Y291-Y296 HydrophobicContact CD1-CE2 3.95Å; Y291-Y296 HydrophobicContact CE1-CD2 4.39Å; Y291-Y296 AromaticContact CE1-CE2 3.64Å; Y291-Y296 HydrophobicContact CE1-CE2 3.64Å; L292-Y296 HydrophobicContact CD2-CD2 4.04Å; L292-Y296 HydrophobicContact CD2-CE2 4.39Å; L292-Y296 CarbonylContact O-C 3.6Å; L292-Y296 WeakPolarHBondContact O-CA 3.5Å; L292-Y296 WeakPolarHBondContact O-CB 3.25Å; L292-Y296 PolarHBondContact O-N 3.44Å; Y296-F298 PolarHBondContact O-N 2.62Å
297R97.3Very high98.6Very high79 Ų7912.8 Ų12.830%0.2986%0.057SC..  trans53.931.4173.6-59.8-58.8-171.8132.8-1.3114.6K151 L292 M293 W331 S334K151-R297 PolarHBondContact NZ-O 3.34Å; L292-R297 PolarHBondContact O-N 3.27Å; M293-R297 WeakPolarHBondContact O-CA 3.49Å; M293-R297 PolarHBondContact O-N 3.12Å; R297-W331 PolarHBondContact NH1-O 3.2Å; R297-W331 VanDerWaalsContact NH1-O 3.07Å; R297-W331 PolarHBondContact NH2-O 3.5Å; R297-S334 PolarHBondContact NE-OG 3.3Å; R297-S334 PolarHBondContact NH2-OG 3.5Å
298F98.6Very high98.6Very high0 Ų013 Ų130%06%0.057CC..  trans-62144.1163.3-75.1-111.7000108.7K151 A152 F157 L292 M293 Y296 E302 A303 W306 W331K151-F298 HydrophobicContact CB-CD1 4.4Å; K151-F298 HydrophobicContact CB-CE1 3.93Å; K151-F298 HydrophobicContact CB-CE2 4.3Å; K151-F298 HydrophobicContact CB-CZ 3.87Å; K151-F298 HydrophobicContact CD-CB 4.3Å; K151-F298 HydrophobicContact CD-CD1 4.12Å; K151-F298 HydrophobicContact CD-CD2 3.7Å; K151-F298 HydrophobicContact CD-CE1 4.38Å; K151-F298 HydrophobicContact CD-CE2 4.01Å; K151-F298 HydrophobicContact CD-CG 3.77Å; K151-F298 HydrophobicContact CD-CZ 4.33Å; K151-F298 HydrophobicContact CG-CD1 4.36Å; K151-F298 HydrophobicContact CG-CD2 3.9Å; K151-F298 HydrophobicContact CG-CE1 4.11Å; K151-F298 HydrophobicContact CG-CE2 3.64Å; K151-F298 HydrophobicContact CG-CG 4.26Å; K151-F298 HydrophobicContact CG-CZ 3.75Å; A152-F298 HydrophobicContact CB-CZ 4.49Å; F157-F298 HydrophobicContact CD2-CE2 4.47Å; F157-F298 HydrophobicContact CD2-CZ 4.09Å; F157-F298 AromaticContact CE2-CE2 3.6Å; F157-F298 HydrophobicContact CE2-CE2 3.6Å; F157-F298 AromaticContact CE2-CZ 3.62Å; F157-F298 HydrophobicContact CE2-CZ 3.62Å; F157-F298 HydrophobicContact CZ-CE2 4.21Å; L292-F298 HydrophobicContact CB-CB 4.31Å; L292-F298 HydrophobicContact CB-CD2 4.15Å; L292-F298 HydrophobicContact CB-CG 4.22Å; M293-F298 VanDerWaalsContact CG-O 3.3Å; M293-F298 WeakPolarHBondContact CG-O 3.28Å; Y296-F298 PolarHBondContact O-N 2.62Å; F298-E302 VanDerWaalsContact CA-OE2 3.24Å; F298-E302 WeakPolarHBondContact CA-OE2 3.45Å; F298-E302 HydrophobicContact CB-CB 4.31Å; F298-E302 HydrophobicContact CD1-CB 3.79Å; F298-E302 HydrophobicContact CG-CB 4.47Å; F298-A303 HydrophobicContact CB-CB 3.93Å; F298-A303 HydrophobicContact CD1-CB 4.44Å; F298-A303 HydrophobicContact CG-CB 4.5Å; F298-W306 HydrophobicContact CE1-CB 3.94Å; F298-W306 HydrophobicContact CE1-CG 4.17Å; F298-W331 WeakPolarHBondContact O-CZ2 3.12Å; F298-W331 PolarHBondContact O-NE1 2.68Å
299T98.8Very high98.6Very high30 Ų3013 Ų1318%0.1846%0.058CC..  trans-70.5165.7156.966.70000109.1A301 E302 A303 W331T299-A301 VanDerWaalsContact C-N 3.33Å; T299-E302 PolarHBondContact N-OE2 3.35Å; T299-E302 PolarHBondContact O-N 2.55Å; T299-E302 WeakPolarHBondContact OG1-CB 3.24Å; T299-E302 WeakPolarHBondContact OG1-CG 3.49Å; T299-E302 PolarHBondContact OG1-N 3.21Å; T299-A303 VanDerWaalsContact O-CB 3.26Å; T299-A303 WeakPolarHBondContact O-CB 3.09Å; T299-A303 PolarHBondContact O-N 2.84Å; T299-W331 HydrophobicContact CG2-CH2 3.96Å; T299-W331 HydrophobicContact CG2-CZ2 3.9Å
300A98.8Very high98.6Very high0 Ų013.1 Ų13.10%06%0.058CC..Hα-helixtrans-59.1-46.2172.800000110.9M293 A303 I304 L323 E324M293-A300 HydrophobicContact SD-CB 3.96Å; A300-A303 PolarHBondContact O-N 3.15Å; A300-I304 WeakPolarHBondContact O-CB 3.22Å; A300-I304 WeakPolarHBondContact O-CD1 3.16Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A300-L323 VanDerWaalsContact CB-C 3.44Å; A300-L323 HydrophobicContact CB-CB 3.73Å; A300-E324 HydrophobicContact CB-CB 4.43Å; A300-E324 VanDerWaalsContact CB-CD 3.48Å; A300-E324 HydrophobicContact CB-CG 4Å
301A98.8Very high98.6Very high8 Ų813.1 Ų13.17%0.0666%0.058CC..Hα-helixtrans-57.1-51.3174.800000113.1Y138 L140 D144 T299 A303 I304 A305Y138-A301 VanDerWaalsContact OH-CA 3.25Å; Y138-A301 WeakPolarHBondContact OH-CA 3.47Å; Y138-A301 VanDerWaalsContact OH-CB 3.3Å; Y138-A301 WeakPolarHBondContact OH-CB 3.44Å; Y138-A301 PolarHBondContact OH-N 2.85Å; L140-A301 HydrophobicContact CD1-CB 4.19Å; L140-A301 VanDerWaalsContact CD1-O 3.31Å; L140-A301 WeakPolarHBondContact CD1-O 3.16Å; D144-A301 HydrophobicContact CB-CB 3.98Å; T299-A301 VanDerWaalsContact C-N 3.33Å; A301-A303 VanDerWaalsContact C-N 3.32Å; A301-A303 PolarHBondContact O-N 3.42Å; A301-I304 PolarHBondContact O-N 3.34Å; A301-A305 WeakPolarHBondContact O-CB 3.48Å; A301-A305 PolarHBondContact O-N 3.45Å
302E98.8Very high98.5Very high15 Ų1512.9 Ų12.97%0.076%0.059CC..Hα-helixtrans-60.4-41.1177.4-72169.2156.200111.8Q147 K151 F298 T299 A305 W306Q147-E302 HydrophobicContact CB-CG 3.7Å; K151-E302 WeakPolarHBondContact CD-OE2 3.2Å; K151-E302 WeakPolarHBondContact CE-OE2 3.4Å; K151-E302 IonicContact NZ-OE1 3.34Å; K151-E302 PolarHBondContact NZ-OE1 3.43Å; K151-E302 IonicContact NZ-OE2 3.23Å; K151-E302 PolarHBondContact NZ-OE2 3.4Å; F298-E302 VanDerWaalsContact CA-OE2 3.24Å; F298-E302 WeakPolarHBondContact CA-OE2 3.45Å; F298-E302 HydrophobicContact CB-CB 4.31Å; F298-E302 HydrophobicContact CD1-CB 3.79Å; F298-E302 HydrophobicContact CG-CB 4.47Å; T299-E302 PolarHBondContact N-OE2 3.35Å; T299-E302 PolarHBondContact O-N 2.55Å; T299-E302 WeakPolarHBondContact OG1-CB 3.24Å; T299-E302 WeakPolarHBondContact OG1-CG 3.49Å; T299-E302 PolarHBondContact OG1-N 3.21Å; E302-A305 PolarHBondContact O-N 2.67Å; E302-W306 WeakPolarHBondContact O-CB 3.15Å; E302-W306 PolarHBondContact O-N 2.92Å
303A98.9Very high98.5Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-66.7-47.2178.900000111L292 M293 F298 T299 A300 A301 A305 W306 I307L292-A303 HydrophobicContact CB-CB 4.26Å; L292-A303 HydrophobicContact CD1-CB 4.31Å; M293-A303 HydrophobicContact CG-CB 4.42Å; F298-A303 HydrophobicContact CB-CB 3.93Å; F298-A303 HydrophobicContact CD1-CB 4.44Å; F298-A303 HydrophobicContact CG-CB 4.5Å; T299-A303 VanDerWaalsContact O-CB 3.26Å; T299-A303 WeakPolarHBondContact O-CB 3.09Å; T299-A303 PolarHBondContact O-N 2.84Å; A300-A303 PolarHBondContact O-N 3.15Å; A301-A303 VanDerWaalsContact C-N 3.32Å; A301-A303 PolarHBondContact O-N 3.42Å; A303-A305 VanDerWaalsContact C-N 3.3Å; A303-A305 PolarHBondContact O-N 3.3Å; A303-W306 PolarHBondContact O-N 2.91Å; A303-I307 WeakPolarHBondContact O-CB 3.23Å; A303-I307 WeakPolarHBondContact O-CD1 3.39Å; A303-I307 WeakPolarHBondContact O-CG1 3.39Å; A303-I307 PolarHBondContact O-N 3.32Å
304I98.9Very high98.5Very high0 Ų013 Ų130%06%0.06CC..Hα-helixtrans-58.2-45175.4-68163.1000109.9Y138 L140 A300 A301 R308 V315 Q320 L323Y138-I304 HydrophobicContact CE1-CD1 3.98Å; L140-I304 HydrophobicContact CD1-CB 4.46Å; L140-I304 HydrophobicContact CD1-CG2 4.36Å; L140-I304 HydrophobicContact CD2-CG2 4.25Å; A300-I304 WeakPolarHBondContact O-CB 3.22Å; A300-I304 WeakPolarHBondContact O-CD1 3.16Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A301-I304 PolarHBondContact O-N 3.34Å; I304-R308 WeakPolarHBondContact O-CB 3.41Å; I304-R308 VanDerWaalsContact O-CG 3.29Å; I304-R308 WeakPolarHBondContact O-CG 3.46Å; I304-R308 PolarHBondContact O-N 3.1Å; I304-V315 HydrophobicContact CD1-CG1 4.42Å; I304-V315 HydrophobicContact CG1-CB 4.23Å; I304-V315 HydrophobicContact CG1-CG1 4.13Å; I304-V315 HydrophobicContact CG1-CG2 4.23Å; I304-Q320 HydrophobicContact CD1-CB 4.08Å; I304-Q320 HydrophobicContact CD1-CG 4.28Å; I304-L323 HydrophobicContact CD1-CD1 4.21Å; I304-L323 HydrophobicContact CG1-CD1 3.8Å
305A98.9Very high98.5Very high0 Ų012.6 Ų12.60%06%0.059CC..Hα-helixtrans-62.9-49.5178.200000112.7L140 C145 A301 E302 A303 I307 R308 I309L140-A305 HydrophobicContact CD1-CB 4.14Å; L140-A305 HydrophobicContact CD2-CB 3.91Å; L140-A305 HydrophobicContact CG-CB 4.41Å; C145-A305 HydrophobicContact CB-CB 4.4Å; A301-A305 WeakPolarHBondContact O-CB 3.48Å; A301-A305 PolarHBondContact O-N 3.45Å; E302-A305 PolarHBondContact O-N 2.67Å; A303-A305 VanDerWaalsContact C-N 3.3Å; A303-A305 PolarHBondContact O-N 3.3Å; A305-I307 PolarHBondContact O-N 2.87Å; A305-R308 PolarHBondContact O-N 2.75Å; A305-I309 VanDerWaalsContact O-CG1 3.29Å; A305-I309 WeakPolarHBondContact O-CG1 3.02Å; A305-I309 PolarHBondContact O-N 3.41Å
306W98.9Very high98.4Very high4 Ų410.2 Ų10.22%0.0155%0.048CC..Hα-helixtrans-60.6-45.8179.2177.7-113.1000112.1L56 A152 F157 F158 I182 F298 E302 A303 R308 I309 C310L56-W306 HydrophobicContact CD1-CH2 4.09Å; L56-W306 HydrophobicContact CD1-CZ3 4.21Å; A152-W306 HydrophobicContact CB-CD2 3.48Å; A152-W306 VanDerWaalsContact CB-CD2 3.48Å; A152-W306 HydrophobicContact CB-CE3 3.4Å; A152-W306 VanDerWaalsContact CB-CE3 3.4Å; A152-W306 HydrophobicContact CB-CG 4.27Å; A152-W306 HydrophobicContact CB-CH2 3.7Å; A152-W306 HydrophobicContact CB-CZ2 3.73Å; A152-W306 HydrophobicContact CB-CZ3 3.52Å; F157-W306 HydrophobicContact CB-CZ2 3.83Å; F157-W306 HydrophobicContact CD2-CZ2 4.47Å; F157-W306 AromaticContact CD2-NE1 3.62Å; F158-W306 HydrophobicContact CB-CH2 3.9Å; F158-W306 HydrophobicContact CG-CH2 4.36Å; I182-W306 PolarHBondContact O-NE1 2.93Å; F298-W306 HydrophobicContact CE1-CB 3.94Å; F298-W306 HydrophobicContact CE1-CG 4.17Å; E302-W306 WeakPolarHBondContact O-CB 3.15Å; E302-W306 PolarHBondContact O-N 2.92Å; A303-W306 PolarHBondContact O-N 2.91Å; W306-R308 VanDerWaalsContact C-N 3.32Å; W306-R308 PolarHBondContact O-N 3.2Å; W306-I309 HydrophobicContact CZ3-CG2 4.45Å; W306-I309 PolarHBondContact O-N 3.34Å; W306-C310 WeakPolarHBondContact CZ2-SG 3.31Å; W306-C310 PolarHBondContact O-N 2.83Å; W306-C310 PolarHBondContact O-SG 3.14Å
307I98.9Very high98.4Very high0 Ų08.2 Ų8.20%04%0.043CC..Hα-helixtrans-63.8-38.4178-60.1168.3000110.4I182 G285 L292 A303 A305 C310 R311 S314I182-I307 HydrophobicContact CD1-CG2 4.14Å; I182-I307 HydrophobicContact CG2-CG1 3.79Å; G285-I307 WeakPolarHBondContact O-CD1 3.4Å; L292-I307 HydrophobicContact CD1-CD1 3.97Å; L292-I307 HydrophobicContact CD1-CG1 3.81Å; A303-I307 WeakPolarHBondContact O-CB 3.23Å; A303-I307 WeakPolarHBondContact O-CD1 3.39Å; A303-I307 WeakPolarHBondContact O-CG1 3.39Å; A303-I307 PolarHBondContact O-N 3.32Å; A305-I307 PolarHBondContact O-N 2.87Å; I307-C310 PolarHBondContact O-N 2.91Å; I307-R311 CarbonylContact O-C 3.56Å; I307-R311 WeakPolarHBondContact O-CA 3.45Å; I307-R311 PolarHBondContact O-N 3.24Å; I307-S314 VanDerWaalsContact CG2-CB 3.45Å
308R98.8Very high98.3Very high4 Ų48.2 Ų8.22%0.0155%0.053CC..Hα-helixtrans-69.2-34.8175.8-76179.5-177.3167.68.7113.7P53 I304 A305 W306 R311 P312 S314 V315P53-R308 HydrophobicContact CG-CB 4.34Å; I304-R308 WeakPolarHBondContact O-CB 3.41Å; I304-R308 VanDerWaalsContact O-CG 3.29Å; I304-R308 WeakPolarHBondContact O-CG 3.46Å; I304-R308 PolarHBondContact O-N 3.1Å; A305-R308 PolarHBondContact O-N 2.75Å; W306-R308 VanDerWaalsContact C-N 3.32Å; W306-R308 PolarHBondContact O-N 3.2Å; R308-R311 CarbonylContact O-C 3.53Å; R308-P312 VanDerWaalsContact O-CA 3.32Å; R308-P312 WeakPolarHBondContact O-CA 3.42Å; R308-P312 WeakPolarHBondContact O-CD 3.43Å; R308-P312 VanDerWaalsContact O-N 3.11Å; R308-S314 WeakPolarHBondContact CG-O 3.34Å; R308-S314 PolarHBondContact NE-O 3.12Å; R308-V315 PolarHBondContact NH2-O 3Å
309I98.8Very high98.3Very high2 Ų28.2 Ų8.21%0.015%0.053CC..Hα-helixtrans-65.4-41.8173.2-69163.6000110P53 N55 L56 C145 I149 A305 W306P53-I309 HydrophobicContact CB-CG1 4.28Å; P53-I309 HydrophobicContact CG-CG1 3.82Å; N55-I309 CarbonylContact C-O 3.54Å; N55-I309 VanDerWaalsContact CA-O 3.26Å; N55-I309 WeakPolarHBondContact CA-O 3.44Å; L56-I309 HydrophobicContact CB-CG2 4.17Å; L56-I309 HydrophobicContact CD1-CG2 3.96Å; L56-I309 PolarHBondContact N-O 2.76Å; C145-I309 HydrophobicContact CB-CD1 4.49Å; I149-I309 HydrophobicContact CD1-CD1 3.93Å; I149-I309 HydrophobicContact CG1-CD1 3.71Å; A305-I309 VanDerWaalsContact O-CG1 3.29Å; A305-I309 WeakPolarHBondContact O-CG1 3.02Å; A305-I309 PolarHBondContact O-N 3.41Å; W306-I309 HydrophobicContact CZ3-CG2 4.45Å; W306-I309 PolarHBondContact O-N 3.34Å
310C98.7Very high98.3Very high1 Ų16.8 Ų6.81%0.0074%0.044CC..Hα-helixtrans-74.1-33.2176.7-62.50000113.8Y168 N180 W181 I182 W306 I307Y168-C310 WeakPolarHBondContact CE2-O 3.49Å; Y168-C310 PolarHBondContact OH-O 3.01Å; Y168-C310 VanDerWaalsContact OH-O 3.11Å; N180-C310 VanDerWaalsContact CB-O 3.28Å; N180-C310 WeakPolarHBondContact CB-O 3.14Å; N180-C310 PolarHBondContact ND2-O 3.02Å; W181-C310 WeakPolarHBondContact O-CB 3.39Å; I182-C310 HydrophobicContact CD1-CB 3.63Å; W306-C310 WeakPolarHBondContact CZ2-SG 3.31Å; W306-C310 PolarHBondContact O-N 2.83Å; W306-C310 PolarHBondContact O-SG 3.14Å; I307-C310 PolarHBondContact O-N 2.91Å
311R98.5Very high98.3Very high0 Ų09.7 Ų9.70%06%0.06CC..SBendtrans-152.392.2-175.8-172.3167.6174.575.14110.4D178 N180 I182 A279 G280 L281 I307 R308 S314D178-R311 VanDerWaalsContact CG-NH2 3.29Å; D178-R311 PolarHBondContact O-NH1 3.14Å; D178-R311 PolarHBondContact O-NH2 2.8Å; D178-R311 IonicContact OD1-CZ 2.81Å; D178-R311 VanDerWaalsContact OD1-CZ 3.23Å; D178-R311 IonicContact OD1-NH1 2.74Å; D178-R311 PolarHBondContact OD1-NH1 3.33Å; D178-R311 IonicContact OD1-NH2 3.38Å; D178-R311 PolarHBondContact OD1-NH2 3.02Å; D178-R311 IonicContact OD2-NH2 3.47Å; D178-R311 PolarHBondContact OD2-NH2 2.75Å; N180-R311 HydrophobicContact CB-CB 4.06Å; N180-R311 HydrophobicContact CB-CG 4.37Å; N180-R311 WeakPolarHBondContact OD1-CG 3.38Å; N180-R311 PolarHBondContact OD1-NH1 3.24Å; I182-R311 HydrophobicContact CD1-CB 3.89Å; A279-R311 PolarHBondContact O-NH2 2.68Å; G280-R311 PolarHBondContact O-NE 3.23Å; L281-R311 HydrophobicContact CD2-CG 3.85Å; I307-R311 CarbonylContact O-C 3.56Å; I307-R311 WeakPolarHBondContact O-CA 3.45Å; I307-R311 PolarHBondContact O-N 3.24Å; R308-R311 CarbonylContact O-C 3.53Å; R311-S314 WeakPolarHBondContact O-CB 3.3Å; R311-S314 PolarHBondContact O-N 3.34Å; R311-S314 PolarHBondContact O-OG 3.08Å
312P98.4Very high98.3Very high15 Ų1510.2 Ų10.210%0.0976%0.061CC..THydrogen-bonded Turntrans-50.2146.3-178.3-33.538.3000114.7Y44 F47 N55 L281 R308 S314Y44-P312 HydrophobicContact CE2-CB 3.84Å; Y44-P312 HydrophobicContact CE2-CG 4.3Å; F47-P312 HydrophobicContact CE2-CB 4.49Å; F47-P312 WeakPolarHBondContact CE2-O 3.37Å; N55-P312 HydrophobicContact CB-CG 3.75Å; L281-P312 VanDerWaalsContact CD2-O 3.28Å; L281-P312 WeakPolarHBondContact CD2-O 3.27Å; R308-P312 VanDerWaalsContact O-CA 3.32Å; R308-P312 WeakPolarHBondContact O-CA 3.42Å; R308-P312 WeakPolarHBondContact O-CD 3.43Å; R308-P312 VanDerWaalsContact O-N 3.11Å; P312-S314 VanDerWaalsContact C-N 3.3Å; P312-S314 PolarHBondContact O-N 3.26Å
313G97.1Very high98.3Very high2 Ų29.5 Ų9.52%0.0216%0.057CC..THydrogen-bonded Turntrans77.71.7-179.700000116I316G313-I316 WeakPolarHBondContact O-CD1 3.29Å; G313-I316 VanDerWaalsContact O-CG1 3.27Å; G313-I316 WeakPolarHBondContact O-CG1 3.46Å
314S98.6Very high98.2Very high1 Ų112.9 Ų12.91%0.0077%0.073CC..  trans-70.1151.2178.7-62.50000114I307 R308 R311 P312I307-S314 VanDerWaalsContact CG2-CB 3.45Å; R308-S314 WeakPolarHBondContact CG-O 3.34Å; R308-S314 PolarHBondContact NE-O 3.12Å; R311-S314 WeakPolarHBondContact O-CB 3.3Å; R311-S314 PolarHBondContact O-N 3.34Å; R311-S314 PolarHBondContact O-OG 3.08Å; P312-S314 VanDerWaalsContact C-N 3.3Å; P312-S314 PolarHBondContact O-N 3.26Å
315V98.5Very high98.2Very high0 Ų019 Ų190%011%0.106CC..SBendtrans57.4108.3-172.7-166.60000112.7L281 I304 R308 Q319 Q320 L323L281-V315 PolarHBondContact O-N 3.4Å; I304-V315 HydrophobicContact CD1-CG1 4.42Å; I304-V315 HydrophobicContact CG1-CB 4.23Å; I304-V315 HydrophobicContact CG1-CG1 4.13Å; I304-V315 HydrophobicContact CG1-CG2 4.23Å; R308-V315 PolarHBondContact NH2-O 3Å; V315-Q319 HydrophobicContact CG1-CB 3.84Å; V315-Q320 HydrophobicContact CG1-CB 4.48Å; V315-Q320 HydrophobicContact CG1-CG 3.86Å; V315-L323 HydrophobicContact CG1-CD1 3.88Å; V315-L323 HydrophobicContact CG2-CD1 4.12Å
316I96.6Very high98.2Very high1 Ų120.7 Ų20.71%0.00511%0.113CC..  trans-127.2135.8-162.5-53.2-178.8000111.8D130 A131 L281 G313 Q319 L419D130-I316 WeakPolarHBondContact OD2-CA 3.49Å; D130-I316 VanDerWaalsContact OD2-CG2 3.3Å; D130-I316 WeakPolarHBondContact OD2-CG2 3.45Å; A131-I316 HydrophobicContact CB-CD1 4.43Å; L281-I316 HydrophobicContact CB-CD1 4.02Å; G313-I316 WeakPolarHBondContact O-CD1 3.29Å; G313-I316 VanDerWaalsContact O-CG1 3.27Å; G313-I316 WeakPolarHBondContact O-CG1 3.46Å; I316-Q319 VanDerWaalsContact O-CB 3.29Å; I316-Q319 WeakPolarHBondContact O-CB 3.45Å; I316-Q319 WeakPolarHBondContact O-CG 3.05Å; I316-Q319 PolarHBondContact O-N 3.11Å; I316-Q319 PolarHBondContact O-OE1 3.21Å; I316-L419 HydrophobicContact CD1-CD1 3.36Å
317G96.1Very high98.2Very high10 Ų1022.1 Ų22.110%0.10312%0.12CC..THydrogen-bonded Turntrans57.6-129.8175.200000112.4D130 Q319 Q320D130-G317 PolarHBondContact OD2-N 3.36Å; G317-Q319 PolarHBondContact O-N 3.01Å; G317-Q320 PolarHBondContact O-N 3.15Å; G317-Q320 VanDerWaalsContact O-N 3.14Å; G317-Q320 PolarHBondContact O-NE2 3.25Å
318P96.7Very high98.1Very high79 Ų7925.6 Ų25.651%0.51315%0.149SC..THydrogen-bonded Turntrans-56.6-20.4-179.4-25.735000115.1T253 Q320 N321 F322T253-P318 HydrophobicContact CG2-CB 4.3Å; P318-Q320 PolarHBondContact O-N 3.28Å; P318-N321 PolarHBondContact O-N 3.49Å; P318-F322 PolarHBondContact O-N 3.48Å; P318-F322 VanDerWaalsContact O-N 3.08Å
319Q98.4Very high98Very high1 Ų127.6 Ų27.61%0.00516%0.163CC..Hα-helixtrans-62.3-25.1178-66.8160.33.300112.9S252 T253 G282 T286 V315 I316 G317 L323S252-Q319 WeakPolarHBondContact O-CG 3.3Å; S252-Q319 PolarHBondContact O-NE2 3.15Å; T253-Q319 HydrophobicContact CG2-CG 4.48Å; G282-Q319 PolarHBondContact O-OE1 3.27Å; T286-Q319 HydrophobicContact CG2-CB 4.27Å; T286-Q319 HydrophobicContact CG2-CG 4.43Å; T286-Q319 WeakPolarHBondContact OG1-CB 3.45Å; T286-Q319 WeakPolarHBondContact OG1-CG 3.37Å; T286-Q319 PolarHBondContact OG1-OE1 2.81Å; V315-Q319 HydrophobicContact CG1-CB 3.84Å; I316-Q319 VanDerWaalsContact O-CB 3.29Å; I316-Q319 WeakPolarHBondContact O-CB 3.45Å; I316-Q319 WeakPolarHBondContact O-CG 3.05Å; I316-Q319 PolarHBondContact O-N 3.11Å; I316-Q319 PolarHBondContact O-OE1 3.21Å; G317-Q319 PolarHBondContact O-N 3.01Å; Q319-L323 WeakPolarHBondContact O-CG 3.47Å; Q319-L323 PolarHBondContact O-N 2.89Å
320Q98.6Very high97.9Very high0 Ų027.5 Ų27.50%016%0.163CC..Hα-helixtrans-68.8-52.4177.4-62170.5105.400110.8Y138 I304 V315 G317 P318 F322 L323 E324Y138-Q320 HydrophobicContact CD1-CB 4.12Å; Y138-Q320 HydrophobicContact CD1-CG 4.42Å; Y138-Q320 HydrophobicContact CD2-CB 3.9Å; Y138-Q320 HydrophobicContact CE2-CB 4.5Å; Y138-Q320 HydrophobicContact CG-CB 3.68Å; Y138-Q320 HydrophobicContact CG-CG 4.35Å; I304-Q320 HydrophobicContact CD1-CB 4.08Å; I304-Q320 HydrophobicContact CD1-CG 4.28Å; V315-Q320 HydrophobicContact CG1-CB 4.48Å; V315-Q320 HydrophobicContact CG1-CG 3.86Å; G317-Q320 PolarHBondContact O-N 3.15Å; G317-Q320 VanDerWaalsContact O-N 3.14Å; G317-Q320 PolarHBondContact O-NE2 3.25Å; P318-Q320 PolarHBondContact O-N 3.28Å; Q320-F322 VanDerWaalsContact C-N 3.3Å; Q320-F322 PolarHBondContact O-N 3.24Å; Q320-L323 PolarHBondContact O-N 3.08Å; Q320-L323 VanDerWaalsContact O-N 3.12Å; Q320-E324 PolarHBondContact O-N 3.37Å
321N98.3Very high97.8Very high60 Ų6030.8 Ų30.832%0.32118%0.175SC..Hα-helixtrans-61.4-38.4176.8-63.396.9000111.6T137 P318 L323 E324 D325T137-N321 PolarHBondContact OG1-OD1 2.82Å; T137-N321 VanDerWaalsContact OG1-OD1 3.11Å; P318-N321 PolarHBondContact O-N 3.49Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 PolarHBondContact O-N 3.36Å; N321-E324 WeakPolarHBondContact O-CB 3.48Å; N321-E324 PolarHBondContact O-N 3.18Å; N321-E324 VanDerWaalsContact O-N 3.09Å; N321-D325 VanDerWaalsContact O-CG 3.31Å; N321-D325 PolarHBondContact O-N 3.06Å
322F98.6Very high97.6Very high19 Ų1935.4 Ų35.48%0.08320%0.199CC..Hα-helixtrans-57.4-34.9173.8171-92.8000114.2T253 P254 V259 T286 P318 Q320 K326T253-F322 HydrophobicContact CG2-CB 3.54Å; T253-F322 HydrophobicContact CG2-CD2 4.01Å; T253-F322 HydrophobicContact CG2-CG 3.85Å; P254-F322 HydrophobicContact CG-CE1 3.68Å; P254-F322 HydrophobicContact CG-CZ 3.66Å; P254-F322 VanDerWaalsContact O-CE2 3.25Å; P254-F322 WeakPolarHBondContact O-CE2 3.35Å; P254-F322 WeakPolarHBondContact O-CZ 3.2Å; V259-F322 HydrophobicContact CG2-CE1 4.49Å; V259-F322 HydrophobicContact CG2-CZ 3.95Å; T286-F322 HydrophobicContact CG2-CD1 3.72Å; T286-F322 HydrophobicContact CG2-CE1 3.9Å; P318-F322 PolarHBondContact O-N 3.48Å; P318-F322 VanDerWaalsContact O-N 3.08Å; Q320-F322 VanDerWaalsContact C-N 3.3Å; Q320-F322 PolarHBondContact O-N 3.24Å; F322-K326 HydrophobicContact CD1-CG 4.46Å; F322-K326 HydrophobicContact CD2-CG 4.31Å; F322-K326 HydrophobicContact CE1-CG 4.01Å; F322-K326 HydrophobicContact CE2-CD 4.44Å; F322-K326 HydrophobicContact CE2-CG 3.86Å; F322-K326 HydrophobicContact CZ-CD 4.47Å; F322-K326 HydrophobicContact CZ-CG 3.69Å; F322-K326 WeakPolarHBondContact O-CB 3.39Å; F322-K326 WeakPolarHBondContact O-CG 3.39Å; F322-K326 PolarHBondContact O-N 3.08Å
323L98.8Very high97Very high0 Ų038.3 Ų38.30%021%0.211CC..Hα-helixtrans-70.4-37.9176.4-65.8-178.9000111.5T286 M293 A300 I304 V315 Q319 Q320 N321 K326 Q327T286-L323 HydrophobicContact CG2-CD2 3.95Å; T286-L323 HydrophobicContact CG2-CG 4.46Å; T286-L323 WeakPolarHBondContact O-CD2 3.45Å; M293-L323 HydrophobicContact CE-CB 3.8Å; M293-L323 HydrophobicContact CE-CD2 3.65Å; M293-L323 HydrophobicContact CE-CG 4.22Å; M293-L323 WeakPolarHBondContact CE-O 3.49Å; A300-L323 VanDerWaalsContact CB-C 3.44Å; A300-L323 HydrophobicContact CB-CB 3.73Å; I304-L323 HydrophobicContact CD1-CD1 4.21Å; I304-L323 HydrophobicContact CG1-CD1 3.8Å; V315-L323 HydrophobicContact CG1-CD1 3.88Å; V315-L323 HydrophobicContact CG2-CD1 4.12Å; Q319-L323 WeakPolarHBondContact O-CG 3.47Å; Q319-L323 PolarHBondContact O-N 2.89Å; Q320-L323 PolarHBondContact O-N 3.08Å; Q320-L323 VanDerWaalsContact O-N 3.12Å; N321-L323 VanDerWaalsContact C-N 3.27Å; N321-L323 PolarHBondContact O-N 3.36Å; L323-K326 PolarHBondContact O-N 3.43Å; L323-Q327 PolarHBondContact O-N 3.32Å
324E98.2Very high96Very high71 Ų7139.2 Ų39.233%0.33222%0.217SC..Hα-helixtrans-58.3-52.4171.8-62.3-67.4166.100110.4Y138 A300 Q320 N321 K326 Q327Y138-E324 HydrophobicContact CE2-CG 3.75Å; Y138-E324 VanDerWaalsContact CE2-OE1 3.29Å; Y138-E324 WeakPolarHBondContact CE2-OE1 3.35Å; Y138-E324 PolarHBondContact OH-OE1 3.23Å; A300-E324 HydrophobicContact CB-CB 4.43Å; A300-E324 VanDerWaalsContact CB-CD 3.48Å; A300-E324 HydrophobicContact CB-CG 4Å; Q320-E324 PolarHBondContact O-N 3.37Å; N321-E324 WeakPolarHBondContact O-CB 3.48Å; N321-E324 PolarHBondContact O-N 3.18Å; N321-E324 VanDerWaalsContact O-N 3.09Å; E324-K326 PolarHBondContact O-N 2.9Å; E324-Q327 WeakPolarHBondContact O-CB 3.41Å; E324-Q327 PolarHBondContact O-N 2.74Å; E324-Q327 VanDerWaalsContact O-N 3.09Å
325D98.3Very high94.3Very high128 Ų12844.4 Ų44.468%0.68424%0.242SC*.Hα-helixtrans-57.6-34.7-179.7-61.3-27000112.1N321N321-D325 VanDerWaalsContact O-CG 3.31Å; N321-D325 PolarHBondContact O-N 3.06Å
326K98.2Very high92.6Very high36 Ų3650.3 Ų50.316%0.15727%0.269CS..Hα-helixtrans-85.1-20.4178.9-70.4-55.7-173.8-170.10114.8D256 F322 L323 E324 A328 S329 L330D256-K326 WeakPolarHBondContact OD1-CE 3.43Å; D256-K326 IonicContact OD1-NZ 2.68Å; D256-K326 PolarHBondContact OD1-NZ 2.99Å; D256-K326 IonicContact OD2-NZ 2.65Å; D256-K326 PolarHBondContact OD2-NZ 3.27Å; F322-K326 HydrophobicContact CD1-CG 4.46Å; F322-K326 HydrophobicContact CD2-CG 4.31Å; F322-K326 HydrophobicContact CE1-CG 4.01Å; F322-K326 HydrophobicContact CE2-CD 4.44Å; F322-K326 HydrophobicContact CE2-CG 3.86Å; F322-K326 HydrophobicContact CZ-CD 4.47Å; F322-K326 HydrophobicContact CZ-CG 3.69Å; F322-K326 WeakPolarHBondContact O-CB 3.39Å; F322-K326 WeakPolarHBondContact O-CG 3.39Å; F322-K326 PolarHBondContact O-N 3.08Å; L323-K326 PolarHBondContact O-N 3.43Å; E324-K326 PolarHBondContact O-N 2.9Å; K326-A328 PolarHBondContact O-N 2.92Å; K326-S329 PolarHBondContact O-N 2.98Å; K326-S329 VanDerWaalsContact O-N 3.14Å; K326-S329 PolarHBondContact O-OG 3.4Å; K326-L330 HydrophobicContact CB-CD1 3.82Å; K326-L330 HydrophobicContact CB-CG 4.37Å; K326-L330 PolarHBondContact O-N 2.86Å
327Q98.3Very high90.7Very high35 Ų3552.6 Ų52.616%0.16428%0.283CS..Hα-helixtrans-48.5-55.8-172.6-177.5-178.2-72.700112.5M293 L323 E324 S329 L330 W331M293-Q327 HydrophobicContact SD-CB 3.8Å; M293-Q327 HydrophobicContact SD-CG 4.01Å; L323-Q327 PolarHBondContact O-N 3.32Å; E324-Q327 WeakPolarHBondContact O-CB 3.41Å; E324-Q327 PolarHBondContact O-N 2.74Å; E324-Q327 VanDerWaalsContact O-N 3.09Å; Q327-S329 PolarHBondContact O-N 3.34Å; Q327-L330 PolarHBondContact O-N 2.77Å; Q327-W331 HydrophobicContact CG-CD2 4.01Å; Q327-W331 HydrophobicContact CG-CE3 4.49Å; Q327-W331 HydrophobicContact CG-CG 4.42Å; Q327-W331 HydrophobicContact CG-CH2 4.42Å; Q327-W331 HydrophobicContact CG-CZ2 3.91Å; Q327-W331 VanDerWaalsContact O-CB 3.29Å; Q327-W331 WeakPolarHBondContact O-CB 3.31Å; Q327-W331 VanDerWaalsContact O-CG 3.29Å; Q327-W331 PolarHBondContact O-N 2.76Å
328A97.5Very high88.9Confident73 Ų7357.4 Ų57.460%0.60331%0.306SS*.Hα-helixtrans-60-42.9-176.700000112.7K326 W331 L332K326-A328 PolarHBondContact O-N 2.92Å; A328-W331 PolarHBondContact O-N 3.08Å; A328-L332 PolarHBondContact O-N 3.47Å
329S97.1Very high86.9Confident45 Ų4559.5 Ų59.532%0.31531%0.307SS..Hα-helixtrans-67.1-41.7179.968.10000113.1K326 Q327 L332 Q333K326-S329 PolarHBondContact O-N 2.98Å; K326-S329 VanDerWaalsContact O-N 3.14Å; K326-S329 PolarHBondContact O-OG 3.4Å; Q327-S329 PolarHBondContact O-N 3.34Å; S329-L332 PolarHBondContact O-N 3.23Å; S329-Q333 WeakPolarHBondContact O-CG 3.4Å; S329-Q333 PolarHBondContact O-N 2.88Å; S329-Q333 VanDerWaalsContact O-N 3.11Å
330L97.3Very high84.8Confident1 Ų160.4 Ų60.41%0.00532%0.317CS..Hα-helixtrans-68.9-37.8177.8-69.8168.2000111.4V259 L263 C290 M293 K294 K326 Q327 L332 Q333 S334V259-L330 HydrophobicContact CG1-CD2 4.31Å; L263-L330 HydrophobicContact CD1-CD2 3.84Å; C290-L330 HydrophobicContact CB-CD1 3.83Å; M293-L330 HydrophobicContact CB-CB 4.42Å; M293-L330 HydrophobicContact CB-CD1 4.34Å; M293-L330 HydrophobicContact CE-CD1 3.74Å; K294-L330 HydrophobicContact CB-CB 4.19Å; K294-L330 HydrophobicContact CB-CD2 4.32Å; K294-L330 HydrophobicContact CD-CD2 4.43Å; K326-L330 HydrophobicContact CB-CD1 3.82Å; K326-L330 HydrophobicContact CB-CG 4.37Å; K326-L330 PolarHBondContact O-N 2.86Å; Q327-L330 PolarHBondContact O-N 2.77Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L330-Q333 PolarHBondContact O-N 3.18Å; L330-S334 PolarHBondContact O-N 2.86Å
331W96.6Very high82.7Confident70 Ų7067.4 Ų67.427%0.26534%0.343SS..Hα-helixtrans-63.5-34.8172-80.817.6000113M293 R297 F298 T299 Q327 A328 S334M293-W331 PolarHBondContact O-NE1 3.31Å; R297-W331 PolarHBondContact NH1-O 3.2Å; R297-W331 VanDerWaalsContact NH1-O 3.07Å; R297-W331 PolarHBondContact NH2-O 3.5Å; F298-W331 WeakPolarHBondContact O-CZ2 3.12Å; F298-W331 PolarHBondContact O-NE1 2.68Å; T299-W331 HydrophobicContact CG2-CH2 3.96Å; T299-W331 HydrophobicContact CG2-CZ2 3.9Å; Q327-W331 HydrophobicContact CG-CD2 4.01Å; Q327-W331 HydrophobicContact CG-CE3 4.49Å; Q327-W331 HydrophobicContact CG-CG 4.42Å; Q327-W331 HydrophobicContact CG-CH2 4.42Å; Q327-W331 HydrophobicContact CG-CZ2 3.91Å; Q327-W331 VanDerWaalsContact O-CB 3.29Å; Q327-W331 WeakPolarHBondContact O-CB 3.31Å; Q327-W331 VanDerWaalsContact O-CG 3.29Å; Q327-W331 PolarHBondContact O-N 2.76Å; A328-W331 PolarHBondContact O-N 3.08Å; W331-S334 VanDerWaalsContact O-CB 3.31Å; W331-S334 WeakPolarHBondContact O-CB 3.35Å
332L93.2Very high80.8Confident97 Ų9769.2 Ų69.251%0.50835%0.352SS..Hα-helixtrans-70.4-48.9175.2-174.760.8000111.2A328 S329 L330 S334 Q335 H336A328-L332 PolarHBondContact O-N 3.47Å; S329-L332 PolarHBondContact O-N 3.23Å; L330-L332 VanDerWaalsContact C-N 3.34Å; L332-S334 PolarHBondContact O-N 2.88Å; L332-S334 VanDerWaalsContact O-N 3.15Å; L332-Q335 WeakPolarHBondContact O-CB 3.32Å; L332-Q335 PolarHBondContact O-N 2.75Å; L332-H336 PolarHBondContact O-CD2 3.2Å
333Q86.2Confident78.7Confident75 Ų7572.7 Ų72.735%0.3537%0.369SS..Hα-helixtrans-55.2-36179.1-69.1170.525.300113K294 S329 L330 Q335 H336 T337K294-Q333 HydrophobicContact CD-CB 4.47Å; S329-Q333 WeakPolarHBondContact O-CG 3.4Å; S329-Q333 PolarHBondContact O-N 2.88Å; S329-Q333 VanDerWaalsContact O-N 3.11Å; L330-Q333 PolarHBondContact O-N 3.18Å; Q333-Q335 VanDerWaalsContact C-N 3.27Å; Q333-Q335 PolarHBondContact O-N 2.97Å; Q333-H336 PolarHBondContact O-N 2.98Å; Q333-T337 PolarHBondContact O-N 3.06Å; Q333-T337 PolarHBondContact O-OG1 3.18Å
334S77Confident76.7Confident21 Ų2177.4 Ų77.415%0.14739%0.394CS..Hα-helixtrans-49.6-42.7172-173.10000113.6K294 R297 L330 W331 L332 L338K294-S334 WeakPolarHBondContact O-CB 3.42Å; K294-S334 PolarHBondContact O-OG 3.19Å; R297-S334 PolarHBondContact NE-OG 3.3Å; R297-S334 PolarHBondContact NH2-OG 3.5Å; L330-S334 PolarHBondContact O-N 2.86Å; W331-S334 VanDerWaalsContact O-CB 3.31Å; W331-S334 WeakPolarHBondContact O-CB 3.35Å; L332-S334 PolarHBondContact O-N 2.88Å; L332-S334 VanDerWaalsContact O-N 3.15Å; S334-L338 WeakPolarHBondContact O-CB 3.48Å; S334-L338 PolarHBondContact O-N 3.24Å
335Q62.7Low74.7Confident110 Ų11081.3 Ų81.351%0.51441%0.409SS..Hα-helixtrans-69.5-41.4-178.5-57.9-173.8-2700111.4L332 Q333 L338 K339L332-Q335 WeakPolarHBondContact O-CB 3.32Å; L332-Q335 PolarHBondContact O-N 2.75Å; Q333-Q335 VanDerWaalsContact C-N 3.27Å; Q333-Q335 PolarHBondContact O-N 2.97Å; Q335-L338 PolarHBondContact O-N 3.28Å; Q335-K339 WeakPolarHBondContact O-CB 2.86Å; Q335-K339 PolarHBondContact O-N 3.32Å
336H61.3Low72.8Confident124 Ų12478.5 Ų78.557%0.57440%0.397SS*.Hα-helixtrans-65.6-41.5177-65.7-81.5000111.9L332 Q333 L338 K339 G340L332-H336 PolarHBondContact O-CD2 3.2Å; Q333-H336 PolarHBondContact O-N 2.98Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.72Å; H336-K339 PolarHBondContact O-N 2.78Å; H336-G340 PolarHBondContact O-N 2.9Å
337T58.3Low70.9Confident49 Ų4979 Ų7930%0.30141%0.408SS..Hα-helixtrans-65.1-35.6175-46.90000112.2K294 Q333 R341K294-T337 PolarHBondContact NZ-OG1 3.29Å; Q333-T337 PolarHBondContact O-N 3.06Å; Q333-T337 PolarHBondContact O-OG1 3.18Å; T337-R341 WeakPolarHBondContact O-CB 3.45Å; T337-R341 WeakPolarHBondContact O-CG 3.4Å; T337-R341 PolarHBondContact O-N 3.06Å; T337-R341 VanDerWaalsContact O-N 3.14Å
338L56.7Low68.9Low111 Ų11184.4 Ų84.458%0.58143%0.433SS*.Hα-helixtrans-71.3-42.2176-173.763.6000112S334 Q335 H336 R341 I342S334-L338 WeakPolarHBondContact O-CB 3.48Å; S334-L338 PolarHBondContact O-N 3.24Å; Q335-L338 PolarHBondContact O-N 3.28Å; H336-L338 VanDerWaalsContact C-N 3.33Å; H336-L338 PolarHBondContact O-N 2.72Å; L338-R341 PolarHBondContact O-N 2.87Å; L338-I342 HydrophobicContact CG-CD1 4.25Å; L338-I342 WeakPolarHBondContact O-CG1 3.18Å; L338-I342 PolarHBondContact O-N 2.74Å; L338-I342 VanDerWaalsContact O-N 3.12Å
339K54.8Low67.1Low123 Ų12386.8 Ų86.854%0.53544%0.435SS..Hα-helixtrans-64.5-47.6177.7-162.7179-172.9-970111.2Q335 H336 R341 I342 E343Q335-K339 WeakPolarHBondContact O-CB 2.86Å; Q335-K339 PolarHBondContact O-N 3.32Å; H336-K339 PolarHBondContact O-N 2.78Å; K339-R341 PolarHBondContact O-N 3.28Å; K339-I342 WeakPolarHBondContact O-CB 3.22Å; K339-I342 PolarHBondContact O-N 3.26Å; K339-E343 WeakPolarHBondContact CE-OE1 3.45Å; K339-E343 IonicContact NZ-OE1 3.59Å; K339-E343 PolarHBondContact NZ-OE1 3.22Å; K339-E343 WeakPolarHBondContact O-CG 3.4Å; K339-E343 PolarHBondContact O-N 3.14Å
340G54.5Low65.4Low21 Ų2189.4 Ų89.422%0.21645%0.445CS..Hα-helixtrans-57.4-45.4174.500000112.6H336 I342 E343 D344H336-G340 PolarHBondContact O-N 2.9Å; G340-I342 PolarHBondContact O-N 2.94Å; G340-E343 PolarHBondContact O-N 3.07Å; G340-E343 VanDerWaalsContact O-N 3.14Å; G340-D344 WeakPolarHBondContact O-CB 3.05Å; G340-D344 PolarHBondContact O-N 3.38Å
341R55.8Low63.7Low146 Ų14692.9 Ų92.955%0.55147%0.469SS*.Hα-helixtrans-64.6-23.1175.1-79.3-178.9174-174-1.7114.8T337 L338 K339 K345T337-R341 WeakPolarHBondContact O-CB 3.45Å; T337-R341 WeakPolarHBondContact O-CG 3.4Å; T337-R341 PolarHBondContact O-N 3.06Å; T337-R341 VanDerWaalsContact O-N 3.14Å; L338-R341 PolarHBondContact O-N 2.87Å; K339-R341 PolarHBondContact O-N 3.28Å; R341-K345 WeakPolarHBondContact O-CB 3.37Å; R341-K345 VanDerWaalsContact O-CG 3.25Å; R341-K345 WeakPolarHBondContact O-CG 3.45Å; R341-K345 PolarHBondContact O-N 2.74Å
342I57.6Low61.5Low98 Ų9891.1 Ų91.150%0.50347%0.473SS..Hα-helixtrans-80-45.7172.4-69.4165.2000109L338 K339 G340 K345 T346L338-I342 HydrophobicContact CG-CD1 4.25Å; L338-I342 WeakPolarHBondContact O-CG1 3.18Å; L338-I342 PolarHBondContact O-N 2.74Å; L338-I342 VanDerWaalsContact O-N 3.12Å; K339-I342 WeakPolarHBondContact O-CB 3.22Å; K339-I342 PolarHBondContact O-N 3.26Å; G340-I342 PolarHBondContact O-N 2.94Å; I342-K345 PolarHBondContact O-N 3.17Å; I342-T346 PolarHBondContact O-N 3.03Å; I342-T346 PolarHBondContact O-OG1 3.15Å; I342-T346 VanDerWaalsContact O-OG1 3.13Å
343E54.6Low59.7Low93 Ų9392 Ų9244%0.43548%0.477SS..Hα-helixtrans-60.3-47.5178.1-72.3167.4169.300111.7K339 G340 K345 T346 A347K339-E343 WeakPolarHBondContact CE-OE1 3.45Å; K339-E343 IonicContact NZ-OE1 3.59Å; K339-E343 PolarHBondContact NZ-OE1 3.22Å; K339-E343 WeakPolarHBondContact O-CG 3.4Å; K339-E343 PolarHBondContact O-N 3.14Å; G340-E343 PolarHBondContact O-N 3.07Å; G340-E343 VanDerWaalsContact O-N 3.14Å; E343-K345 PolarHBondContact O-N 2.65Å; E343-T346 VanDerWaalsContact CA-OG1 3.31Å; E343-T346 WeakPolarHBondContact CA-OG1 3.37Å; E343-T346 PolarHBondContact O-N 3.22Å; E343-T346 PolarHBondContact O-OG1 3.3Å; E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 3.42Å
344D57.2Low57.9Low99 Ų9994 Ų9453%0.52949%0.49SS..Hα-helixtrans-59.4-42.5174-66.6-27.2000111.9G340 A347 H348G340-D344 WeakPolarHBondContact O-CB 3.05Å; G340-D344 PolarHBondContact O-N 3.38Å; D344-A347 PolarHBondContact O-N 3Å; D344-H348 PolarHBondContact O-CD2 3.23Å; D344-H348 PolarHBondContact O-N 3.04Å
345K55.8Low56.6Low152 Ų152101.3 Ų101.366%0.66152%0.522SS*.Hα-helixtrans-66.5-38.9176.2-81.4-177.9175.6-1690112R341 I342 E343 L349R341-K345 WeakPolarHBondContact O-CB 3.37Å; R341-K345 VanDerWaalsContact O-CG 3.25Å; R341-K345 WeakPolarHBondContact O-CG 3.45Å; R341-K345 PolarHBondContact O-N 2.74Å; I342-K345 PolarHBondContact O-N 3.17Å; E343-K345 PolarHBondContact O-N 2.65Å; K345-L349 WeakPolarHBondContact O-CB 3.29Å; K345-L349 VanDerWaalsContact O-CG 3.26Å; K345-L349 WeakPolarHBondContact O-CG 3.33Å; K345-L349 PolarHBondContact O-N 2.74Å; K345-L349 VanDerWaalsContact O-N 3.09Å
346T58.7Low55.8Low69 Ų69102.8 Ų102.842%0.42353%0.533SS..Hα-helixtrans-68.7-37174.148.50000111.9I342 E343 L349 I350I342-T346 PolarHBondContact O-N 3.03Å; I342-T346 PolarHBondContact O-OG1 3.15Å; I342-T346 VanDerWaalsContact O-OG1 3.13Å; E343-T346 VanDerWaalsContact CA-OG1 3.31Å; E343-T346 WeakPolarHBondContact CA-OG1 3.37Å; E343-T346 PolarHBondContact O-N 3.22Å; E343-T346 PolarHBondContact O-OG1 3.3Å; T346-L349 PolarHBondContact O-N 3Å; T346-I350 WeakPolarHBondContact O-CD1 3.43Å; T346-I350 VanDerWaalsContact O-CG1 3.26Å; T346-I350 WeakPolarHBondContact O-CG1 3.3Å; T346-I350 PolarHBondContact O-N 3.12Å
347A58Low54.9Low48 Ų48101.3 Ų101.340%0.39754%0.537SS..Hα-helixtrans-63-48.2175.300000111.3E343 D344 L349 I350 S351E343-A347 WeakPolarHBondContact O-CB 3.42Å; E343-A347 PolarHBondContact O-N 3.42Å; D344-A347 PolarHBondContact O-N 3Å; A347-L349 VanDerWaalsContact C-N 3.3Å; A347-L349 PolarHBondContact O-N 2.66Å; A347-I350 PolarHBondContact O-N 3.12Å; A347-I350 VanDerWaalsContact O-N 3.13Å; A347-S351 PolarHBondContact O-N 2.97Å; A347-S351 PolarHBondContact O-OG 3.04Å
348H56Low54.2Low148 Ų148107 Ų10769%0.68556%0.564SS**Hα-helixtrans-61-34.7174.9-77.9-59.5000113.5D344 G352D344-H348 PolarHBondContact O-CD2 3.23Å; D344-H348 PolarHBondContact O-N 3.04Å; H348-G352 PolarHBondContact O-N 3.07Å
349L59.6Low53.4Low122 Ų122107.1 Ų107.164%0.63957%0.574SS**Hα-helixtrans-70.4-34174.5-73.7168.9000112.8K345 T346 A347 L353K345-L349 WeakPolarHBondContact O-CB 3.29Å; K345-L349 VanDerWaalsContact O-CG 3.26Å; K345-L349 WeakPolarHBondContact O-CG 3.33Å; K345-L349 PolarHBondContact O-N 2.74Å; K345-L349 VanDerWaalsContact O-N 3.09Å; T346-L349 PolarHBondContact O-N 3Å; A347-L349 VanDerWaalsContact C-N 3.3Å; A347-L349 PolarHBondContact O-N 2.66Å; L349-L353 WeakPolarHBondContact O-CG 3.41Å; L349-L353 PolarHBondContact O-N 3.42Å
350I62.5Low52.2Low101 Ų101107.3 Ų107.352%0.51859%0.591SS.*Hα-helixtrans-68.5-47.8174.1-69.1161000110T346 A347 G352 L353 D354T346-I350 WeakPolarHBondContact O-CD1 3.43Å; T346-I350 VanDerWaalsContact O-CG1 3.26Å; T346-I350 WeakPolarHBondContact O-CG1 3.3Å; T346-I350 PolarHBondContact O-N 3.12Å; A347-I350 PolarHBondContact O-N 3.12Å; A347-I350 VanDerWaalsContact O-N 3.13Å; I350-G352 VanDerWaalsContact C-N 3.27Å; I350-G352 PolarHBondContact O-N 3.13Å; I350-L353 WeakPolarHBondContact O-CB 3.42Å; I350-L353 PolarHBondContact O-N 2.93Å; I350-D354 PolarHBondContact O-N 3.44Å
351S60.1Low51.2Low73 Ų73110.2 Ų110.251%0.5161%0.613SS.*Hα-helixtrans-59.8-36.1176.7-55.10000113A347 L353 E355A347-S351 PolarHBondContact O-N 2.97Å; A347-S351 PolarHBondContact O-OG 3.04Å; S351-L353 VanDerWaalsContact C-N 3.27Å; S351-L353 PolarHBondContact O-N 3.25Å; S351-E355 PolarHBondContact O-N 2.83Å
352G51.2Low50.1Low34 Ų34112 Ų11235%0.35163%0.627SS.*Hα-helixtrans-73.6-11.6174.900000115.1H348 I350H348-G352 PolarHBondContact O-N 3.07Å; I350-G352 VanDerWaalsContact C-N 3.27Å; I350-G352 PolarHBondContact O-N 3.13Å
353L56.1Low48.9Very low116 Ų116115 Ų11561%0.60764%0.644SS**Hα-helixtrans-90.9-35.4173.1-77.9164.9000111.9L349 I350 S351 E355 L356L349-L353 WeakPolarHBondContact O-CG 3.41Å; L349-L353 PolarHBondContact O-N 3.42Å; I350-L353 WeakPolarHBondContact O-CB 3.42Å; I350-L353 PolarHBondContact O-N 2.93Å; S351-L353 VanDerWaalsContact C-N 3.27Å; S351-L353 PolarHBondContact O-N 3.25Å; L353-E355 VanDerWaalsContact C-N 3.27Å; L353-E355 PolarHBondContact O-N 3.43Å; L353-L356 PolarHBondContact O-N 2.92Å; L353-L356 VanDerWaalsContact O-N 3.15Å
354D48.2Very low47.7Very low115 Ų115115.5 Ų115.562%0.61566%0.664SS**Hα-helixtrans-62.1-35.8173.7-72-29.5000111.6I350 L356 S357I350-D354 PolarHBondContact O-N 3.44Å; D354-L356 PolarHBondContact O-N 3.44Å; D354-S357 PolarHBondContact O-N 2.95Å
355E48.1Very low46.4Very low176 Ų176118.1 Ų118.182%0.82268%0.678SS**THydrogen-bonded Turntrans-69.7-13.2177.6-145173.8-145.300113.7S351 L353S351-E355 PolarHBondContact O-N 2.83Å; L353-E355 VanDerWaalsContact C-N 3.27Å; L353-E355 PolarHBondContact O-N 3.43Å
356L47Very low45Very low141 Ų141119.4 Ų119.474%0.73868%0.684SS**THydrogen-bonded Turntrans-101.5-2177.1-69172.8000113.6L353 D354L353-L356 PolarHBondContact O-N 2.92Å; L353-L356 VanDerWaalsContact O-N 3.15Å; D354-L356 PolarHBondContact O-N 3.44Å
357S42.9Very low43.6Very low93 Ų93123 Ų12365%0.6570%0.7SS**SBendtrans-110.728.2-171.3-168.10000115.1D354D354-S357 PolarHBondContact O-N 2.95Å
358L43.4Very low42.2Very low168 Ų168132.3 Ų132.388%0.8872%0.724SS**  trans-137.286.9168.9-76.4177.8000112.8
359S38.6Very low40.8Very low113 Ų113129.9 Ų129.979%0.7972%0.724SS**  trans-140.583.5164.356.20000113
360S29.9Very low39.3Very low128 Ų128128.7 Ų128.790%0.89573%0.732SS**  trans-154.1117.5154.1-97.70000113.2
361A33.8Very low37.5Very low81 Ų81129.5 Ų129.567%0.66975%0.747SS**  trans-29.2145.6177.500000119.5
362H33.9Very low36Very low185 Ų185131 Ų13186%0.85676%0.763SS**  -166.3158.795.2-101.874.9000114.5
363N31.6Very low35Very low161 Ų161138.4 Ų138.486%0.86179%0.789SS**  trans-73.3146.8-179.1-68.4-44.8000113.9
364A29.5Very low33.7Very low102 Ų102144.3 Ų144.384%0.84380%0.803SS**  trans-155149.3143.600000111.2
365N30Very low32.8Very low155 Ų155147.2 Ų147.283%0.82982%0.818SS**  trans-87.9169.1-168.7-82.3-37.6000115.1
366F26.9Very low32Very low179 Ų179148 Ų14879%0.78582%0.822SS**  trans106.9114132.2-127.3-117.4000119.3
367L29Very low31.3Very low143 Ų143150.2 Ų150.275%0.74983%0.828SS**  trans30.9113.4149.8-60.5179.4000119.6
368R28.1Very low30.7Very low244 Ų244153.3 Ų153.392%0.92184%0.837SS**  -147.3134.1121.7-146.9166.8174.1-162.3-4.9114.6
369S26.6Very low30Very low98 Ų98154.4 Ų154.469%0.68584%0.835SS**  trans-52.4137.3-178.452.20000117.4
370A27.8Very low29.6Very low96 Ų96155.1 Ų155.179%0.79384%0.84SS**  34.4111.4126.600000120
371S25.9Very low29.8Very low119 Ų119154.4 Ų154.483%0.83283%0.83SS**  trans-170.7113.5136.355.60000110.9
372A28.1Very low30.1Very low104 Ų104161.6 Ų161.686%0.8684%0.84SS**  trans151.454.215100000113.8
373E30.6Very low30Very low189 Ų189160 Ų16088%0.88383%0.833SS**  trans-89.9107.6154.2-78.7-173.1173.600109.1
374R28.8Very low30.1Very low241 Ų241161.3 Ų161.391%0.90983%0.831SS**  trans178.1145.7147.2-100.9160.5-153.9-130.12.6111.5
375L27.8Very low30.3Very low175 Ų175164.2 Ų164.292%0.91683%0.825SS**  trans7269.6173.7-51.4-179.5000115.7
376Q31Very low30.9Very low194 Ų194162.5 Ų162.591%0.90781%0.812SS**  trans-128.478.8155.8-170.117122.600110.2
377E32.8Very low31.7Very low187 Ų187155.8 Ų155.887%0.87479%0.787SS**SBendtrans-160153.7155.1-111163-158.100107.6
378D30.4Very low32.2Very low158 Ų158154 Ų15485%0.84578%0.784SS**SBendtrans60.765.2-177.5-69.5-14.5000118.9
379F28.7Very low32.9Very low191 Ų191146.5 Ų146.584%0.83877%0.766SS**  trans-160.595.2132.2-130.4-96.1000112.2
380S29.6Very low33.7Very low127 Ų127143.3 Ų143.389%0.88874%0.741SS**  trans-145.447.2173.3-83.90000113.1
381V35.7Very low34.8Very low114 Ų114142.4 Ų142.469%0.69172%0.722SS**SBendtrans-138.9127167.1177.60000109.3
382R38.3Very low35.7Very low231 Ų231142.4 Ų142.487%0.87271%0.712SS**  trans75.987177.1-62.8161.6-178.7-164.81.8118
383Q32Very low36.6Very low153 Ų153139.6 Ų139.672%0.71568%0.682SS**  trans-14865.1137.7-130.5174.916.800112.8F385Q383-F385 HydrophobicContact CB-CD2 4.34Å; Q383-F385 HydrophobicContact CB-CE2 4.03Å; Q383-F385 VanDerWaalsContact CD-CE2 3.48Å; Q383-F385 HydrophobicContact CG-CD2 4.03Å; Q383-F385 HydrophobicContact CG-CE1 4.42Å; Q383-F385 HydrophobicContact CG-CE2 3.64Å; Q383-F385 HydrophobicContact CG-CZ 3.87Å; Q383-F385 PolarHBondContact O-N 3.01Å; Q383-F385 VanDerWaalsContact OE1-CZ 3.3Å
384K35Very low37.5Very low188 Ų188136.5 Ų136.582%0.81767%0.668SS**  trans-73.699153.5-89-170.1174.1-1750106.4Q386K384-Q386 PolarHBondContact O-N 2.81Å; K384-Q386 VanDerWaalsContact O-N 3.13Å
385F34.2Very low38.4Very low163 Ų163130 Ų13072%0.71565%0.65SS**  trans-59.9113.8179.5-79.5-96000110.7Q383Q383-F385 HydrophobicContact CB-CD2 4.34Å; Q383-F385 HydrophobicContact CB-CE2 4.03Å; Q383-F385 VanDerWaalsContact CD-CE2 3.48Å; Q383-F385 HydrophobicContact CG-CD2 4.03Å; Q383-F385 HydrophobicContact CG-CE1 4.42Å; Q383-F385 HydrophobicContact CG-CE2 3.64Å; Q383-F385 HydrophobicContact CG-CZ 3.87Å; Q383-F385 PolarHBondContact O-N 3.01Å; Q383-F385 VanDerWaalsContact OE1-CZ 3.3Å
386Q41.7Very low39.2Very low119 Ų119125.3 Ų125.356%0.55663%0.631SS**  trans-70.5130.4160-71.5170.6-42.800107.6K384 D390 I391K384-Q386 PolarHBondContact O-N 2.81Å; K384-Q386 VanDerWaalsContact O-N 3.13Å; Q386-D390 HydrophobicContact CB-CB 4.27Å; Q386-I391 HydrophobicContact CB-CD1 4.47Å; Q386-I391 HydrophobicContact CB-CG1 4.26Å
387S42.9Very low40.1Very low38 Ų38117.8 Ų117.827%0.26660%0.597SS.*  trans-65.5153.1173.888.10000110.1T389 D390 I391S387-T389 PolarHBondContact O-N 2.72Å; S387-T389 VanDerWaalsContact O-N 3.12Å; S387-T389 PolarHBondContact OG-N 3.15Å; S387-T389 PolarHBondContact OG-OG1 2.69Å; S387-D390 WeakPolarHBondContact CB-OD1 3.28Å; S387-D390 VanDerWaalsContact O-CB 3.31Å; S387-D390 WeakPolarHBondContact O-CB 3.43Å; S387-D390 PolarHBondContact O-N 2.71Å; S387-D390 PolarHBondContact OG-N 2.74Å; S387-D390 PolarHBondContact OG-OD1 3.25Å; S387-I391 PolarHBondContact O-N 2.65Å
388P40.8Very low40.7Very low105 Ų105111.5 Ų111.568%0.68257%0.574SS**Hα-helixtrans-55.5-30.8174-27.235.7000113D390 L392P388-D390 VanDerWaalsContact C-N 3.35Å; P388-L392 PolarHBondContact O-N 2.93Å
389T42.4Very low41.4Very low87 Ų87114 Ų11453%0.53457%0.571SS.*Hα-helixtrans-66-29.7172.220.60000114S387 I393S387-T389 PolarHBondContact O-N 2.72Å; S387-T389 VanDerWaalsContact O-N 3.12Å; S387-T389 PolarHBondContact OG-N 3.15Å; S387-T389 PolarHBondContact OG-OG1 2.69Å; T389-I393 WeakPolarHBondContact O-CB 3.16Å; T389-I393 VanDerWaalsContact O-CD1 3.3Å; T389-I393 WeakPolarHBondContact O-CD1 3.31Å; T389-I393 WeakPolarHBondContact O-CG1 3.27Å; T389-I393 PolarHBondContact O-N 3.14Å
390D42.7Very low42.1Very low30 Ų30110.5 Ų110.516%0.1656%0.557CS.*Hα-helixtrans-68-45.8178.3-66.728.1000110.5R261 Q386 S387 P388 I393 E394R261-D390 VanDerWaalsContact CZ-CG 3.5Å; R261-D390 IonicContact CZ-OD1 2.72Å; R261-D390 IonicContact CZ-OD2 3.54Å; R261-D390 VanDerWaalsContact CZ-OD2 3.23Å; R261-D390 IonicContact NH1-OD1 3.52Å; R261-D390 PolarHBondContact NH1-OD1 3.42Å; R261-D390 IonicContact NH1-OD2 2.66Å; R261-D390 PolarHBondContact NH1-OD2 3.3Å; R261-D390 VanDerWaalsContact NH2-CG 3.27Å; R261-D390 IonicContact NH2-OD1 3.52Å; R261-D390 IonicContact NH2-OD2 3.37Å; R261-D390 PolarHBondContact NH2-OD2 3.49Å; Q386-D390 HydrophobicContact CB-CB 4.27Å; S387-D390 WeakPolarHBondContact CB-OD1 3.28Å; S387-D390 VanDerWaalsContact O-CB 3.31Å; S387-D390 WeakPolarHBondContact O-CB 3.43Å; S387-D390 PolarHBondContact O-N 2.71Å; S387-D390 PolarHBondContact OG-N 2.74Å; S387-D390 PolarHBondContact OG-OD1 3.25Å; P388-D390 VanDerWaalsContact C-N 3.35Å; D390-I393 PolarHBondContact O-N 3.42Å; D390-E394 PolarHBondContact O-N 2.93Å
391I50.3Low42.9Very low77 Ų77107.5 Ų107.540%0.39553%0.531SS..Hα-helixtrans-66.6-44-178.9-59.4173.2000110.6Q386 S387 I393 E394 L395Q386-I391 HydrophobicContact CB-CD1 4.47Å; Q386-I391 HydrophobicContact CB-CG1 4.26Å; S387-I391 PolarHBondContact O-N 2.65Å; I391-I393 VanDerWaalsContact C-N 3.27Å; I391-I393 PolarHBondContact O-N 3.25Å; I391-E394 PolarHBondContact O-N 3.43Å; I391-L395 HydrophobicContact CG2-CD1 4.02Å; I391-L395 WeakPolarHBondContact O-CG 3.39Å; I391-L395 PolarHBondContact O-N 2.99Å; I391-L395 VanDerWaalsContact O-N 3.09Å
392L45.3Very low43.3Very low119 Ų119111.9 Ų111.962%0.62354%0.535SS*.Hα-helixtrans-61-35.1175.8-83.4164000112.6P388 C396P388-L392 PolarHBondContact O-N 2.93Å; L392-C396 VanDerWaalsContact O-CB 3.31Å; L392-C396 WeakPolarHBondContact O-CB 3.2Å; L392-C396 PolarHBondContact O-N 3.23Å; L392-C396 VanDerWaalsContact O-N 3.11Å
393I46.8Very low43.6Very low46 Ų46108.2 Ų108.224%0.23653%0.532CS..Hα-helixtrans-72-45.1177.4-69.6168000111.1T257 R261 T389 D390 I391 L395 C396 D397T257-I393 HydrophobicContact CG2-CD1 3.6Å; T257-I393 HydrophobicContact CG2-CG1 3.58Å; R261-I393 HydrophobicContact CB-CD1 4.4Å; T389-I393 WeakPolarHBondContact O-CB 3.16Å; T389-I393 VanDerWaalsContact O-CD1 3.3Å; T389-I393 WeakPolarHBondContact O-CD1 3.31Å; T389-I393 WeakPolarHBondContact O-CG1 3.27Å; T389-I393 PolarHBondContact O-N 3.14Å; D390-I393 PolarHBondContact O-N 3.42Å; I391-I393 VanDerWaalsContact C-N 3.27Å; I391-I393 PolarHBondContact O-N 3.25Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.41Å; I393-C396 PolarHBondContact O-N 3.49Å; I393-C396 VanDerWaalsContact O-N 3.07Å; I393-D397 WeakPolarHBondContact O-CB 3.32Å; I393-D397 PolarHBondContact O-N 3.26Å
394E49.3Very low44.4Very low124 Ų124105.6 Ų105.658%0.57952%0.523SS*.Hα-helixtrans-62.4-36.4179.4-164.3172.9-137.600112.1D390 I391 S398D390-E394 PolarHBondContact O-N 2.93Å; I391-E394 PolarHBondContact O-N 3.43Å; E394-S398 VanDerWaalsContact O-CB 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.16Å; E394-S398 PolarHBondContact O-N 2.94Å; E394-S398 PolarHBondContact O-OG 2.68Å
395L49.2Very low45.3Very low105 Ų10599 Ų9955%0.5551%0.508SS..Hα-helixtrans-69.5-33.6172.5-70.2169.7000113.3I391 I393I391-L395 HydrophobicContact CG2-CD1 4.02Å; I391-L395 WeakPolarHBondContact O-CG 3.39Å; I391-L395 PolarHBondContact O-N 2.99Å; I391-L395 VanDerWaalsContact O-N 3.09Å; I393-L395 VanDerWaalsContact C-N 3.29Å; I393-L395 PolarHBondContact O-N 3.41Å
396C44.5Very low46.8Very low75 Ų7592.5 Ų92.551%0.50748%0.481SS..Hα-helixtrans-75.7-45.3179.2-159.50000111.6L392 I393 S398 R399 Q400L392-C396 VanDerWaalsContact O-CB 3.31Å; L392-C396 WeakPolarHBondContact O-CB 3.2Å; L392-C396 PolarHBondContact O-N 3.23Å; L392-C396 VanDerWaalsContact O-N 3.11Å; I393-C396 PolarHBondContact O-N 3.49Å; I393-C396 VanDerWaalsContact O-N 3.07Å; C396-S398 VanDerWaalsContact C-N 3.3Å; C396-S398 PolarHBondContact O-N 3.36Å; C396-R399 PolarHBondContact O-N 2.74Å; C396-R399 VanDerWaalsContact O-N 3.1Å; C396-Q400 PolarHBondContact O-N 3.17Å; C396-Q400 VanDerWaalsContact O-N 3.07Å
397D48.4Very low47.9Very low37 Ų3793 Ų9320%0.19849%0.486CS..Hα-helixtrans-55.6-46.4174.2-167.739.2000110.3I393 R399 Q400 L401I393-D397 WeakPolarHBondContact O-CB 3.32Å; I393-D397 PolarHBondContact O-N 3.26Å; D397-R399 PolarHBondContact O-N 3.14Å; D397-R399 VanDerWaalsContact O-N 3.09Å; D397-Q400 PolarHBondContact O-N 3.46Å; D397-L401 VanDerWaalsContact O-CB 3.29Å; D397-L401 WeakPolarHBondContact O-CB 3.32Å; D397-L401 PolarHBondContact O-N 2.83Å; D397-L401 WeakPolarHBondContact OD1-CD1 3.35Å; D397-L401 WeakPolarHBondContact OD2-CD1 3.27Å
398S47Very low48.8Very low54 Ų5494.4 Ų94.438%0.37849%0.493SS..Hα-helixtrans-60.9-18.7178.1-65.90000115.9E394 C396 R402E394-S398 VanDerWaalsContact O-CB 3.3Å; E394-S398 WeakPolarHBondContact O-CB 3.16Å; E394-S398 PolarHBondContact O-N 2.94Å; E394-S398 PolarHBondContact O-OG 2.68Å; C396-S398 VanDerWaalsContact C-N 3.3Å; C396-S398 PolarHBondContact O-N 3.36Å; S398-R402 PolarHBondContact O-NE 3.09Å
399R44.1Very low49.7Very low210 Ų21092.8 Ų92.879%0.79248%0.479SS*.Hα-helixtrans-96.4-39.5174.8-69.3-176.2-176.2-165.91.6111.8C396 D397C396-R399 PolarHBondContact O-N 2.74Å; C396-R399 VanDerWaalsContact O-N 3.1Å; D397-R399 PolarHBondContact O-N 3.14Å; D397-R399 VanDerWaalsContact O-N 3.09Å
400Q44.4Very low50.4Low118 Ų11893.2 Ų93.255%0.55150%0.5SS*.Hα-helixtrans-75.1-32-177.9-152.316720.100112.6C396 D397 R402C396-Q400 PolarHBondContact O-N 3.17Å; C396-Q400 VanDerWaalsContact O-N 3.07Å; D397-Q400 PolarHBondContact O-N 3.46Å; Q400-R402 PolarHBondContact O-N 3.35Å
401L46.8Very low51.5Low64 Ų6495.3 Ų95.334%0.33552%0.517SS..THydrogen-bonded Turntrans-62-18.1176.9-95.5159.2000115.4F247 D397F247-L401 HydrophobicContact CD1-CD2 3.45Å; F247-L401 VanDerWaalsContact CD1-CD2 3.45Å; F247-L401 HydrophobicContact CD1-CG 3.91Å; F247-L401 HydrophobicContact CE1-CD2 3.6Å; F247-L401 HydrophobicContact CE1-CG 4.32Å; F247-L401 HydrophobicContact CG-CD2 4.11Å; F247-L401 HydrophobicContact CZ-CD2 4.38Å; D397-L401 VanDerWaalsContact O-CB 3.29Å; D397-L401 WeakPolarHBondContact O-CB 3.32Å; D397-L401 PolarHBondContact O-N 2.83Å; D397-L401 WeakPolarHBondContact OD1-CD1 3.35Å; D397-L401 WeakPolarHBondContact OD2-CD1 3.27Å
402R44.1Very low52.7Low206 Ų20694 Ų9478%0.77752%0.523SS*.THydrogen-bonded Turntrans-88.2-12.6-172.9-58.3-170.6-159.4-153.92.1114.6S398 Q400S398-R402 PolarHBondContact O-NE 3.09Å; Q400-R402 PolarHBondContact O-N 3.35Å
403L43.3Very low54.4Low155 Ų15592.1 Ų92.181%0.81251%0.513SS*.THydrogen-bonded Turntrans-119.4-12.4-172.9-106.479.9000115.8
404L49.3Very low56.2Low98 Ų9890.3 Ų90.351%0.51350%0.504SS..  trans-120.2119.1179.1-74.691.9000112.4I249I249-L404 HydrophobicContact CD1-CB 3.77Å; I249-L404 HydrophobicContact CD1-CD2 3.52Å; I249-L404 HydrophobicContact CD1-CG 4.27Å
405G54.8Low57.8Low50 Ų5086.2 Ų86.252%0.51549%0.485SS..  trans-67.5177.2165.800000112.4
406D64.1Low59.4Low25 Ų2581.3 Ų81.313%0.13446%0.46CS..  trans-78.8147.3162.9-75.7-61.1000106.5K228 D250 T408 T414K228-D406 VanDerWaalsContact CD-OD2 3.23Å; K228-D406 WeakPolarHBondContact CD-OD2 3.31Å; K228-D406 WeakPolarHBondContact CE-OD2 3.02Å; K228-D406 VanDerWaalsContact NZ-CG 3.3Å; K228-D406 IonicContact NZ-OD2 2.79Å; K228-D406 PolarHBondContact NZ-OD2 2.87Å; D250-D406 HydrophobicContact CB-CB 4.42Å; D250-D406 WeakPolarHBondContact CB-OD1 3.46Å; D250-D406 PolarHBondContact N-OD1 3.07Å; D406-T408 PolarHBondContact O-N 3.36Å; D406-T414 HydrophobicContact CB-CG2 3.49Å; D406-T414 VanDerWaalsContact CB-CG2 3.49Å
407I65.2Low61.3Low129 Ų12979.7 Ų79.766%0.66245%0.446SS*.  trans-70.3102.8174.3-57.1172.7000107.7I249I249-I407 HydrophobicContact CG2-CD1 4.43Å; I249-I407 HydrophobicContact CG2-CG1 4.12Å
408T62.1Low63.1Low68 Ų6880.1 Ų80.142%0.41745%0.447SS..  trans-90149.8167.359.10000109D406 G412 T414D406-T408 PolarHBondContact O-N 3.36Å; T408-G412 VanDerWaalsContact CG2-C 3.46Å; T408-G412 VanDerWaalsContact CG2-O 3.24Å; T408-G412 WeakPolarHBondContact CG2-O 3.31Å; T408-T414 HydrophobicContact CG2-CG2 4.24Å
409D60.3Low65Low72 Ų7277.7 Ų77.739%0.38543%0.429SS..  trans-76-175160.169.9-10.3000110.5S411 G412 K418D409-S411 PolarHBondContact O-N 3.15Å; D409-S411 WeakPolarHBondContact OD1-CB 3.27Å; D409-S411 PolarHBondContact OD1-N 2.69Å; D409-S411 PolarHBondContact OD1-OG 3.45Å; D409-S411 PolarHBondContact OD2-OG 2.66Å; D409-G412 PolarHBondContact O-N 3.12Å; D409-K418 VanDerWaalsContact CG-NZ 3.32Å; D409-K418 IonicContact OD1-NZ 3.34Å; D409-K418 WeakPolarHBondContact OD2-CE 3.41Å; D409-K418 IonicContact OD2-NZ 2.75Å; D409-K418 PolarHBondContact OD2-NZ 2.77Å
410G56.8Low67Low96 Ų9669.1 Ų69.199%0.9940%0.397SS*.THydrogen-bonded Turntrans-60.7-3.1175.300000115.5
411S66.3Low68.9Low73 Ų7365.5 Ų65.551%0.5139%0.387SS..THydrogen-bonded Turntrans-94.1-4.2172.478.80000114D409 L413D409-S411 PolarHBondContact O-N 3.15Å; D409-S411 WeakPolarHBondContact OD1-CB 3.27Å; D409-S411 PolarHBondContact OD1-N 2.69Å; D409-S411 PolarHBondContact OD1-OG 3.45Å; D409-S411 PolarHBondContact OD2-OG 2.66Å; S411-L413 VanDerWaalsContact C-N 3.26Å; S411-L413 PolarHBondContact O-N 3.11Å
412G74Confident70.7Confident51 Ų5165 Ų6553%0.52639%0.385SS..SBendtrans76.76.8-177.400000114.7T408 D409T408-G412 VanDerWaalsContact CG2-C 3.46Å; T408-G412 VanDerWaalsContact CG2-O 3.24Å; T408-G412 WeakPolarHBondContact CG2-O 3.31Å; D409-G412 PolarHBondContact O-N 3.12Å
413L81Confident72.7Confident78 Ų7856.1 Ų56.141%0.40835%0.351SS..  trans-100.9136.2-179.6-62-179.6000111.8S411 D417 K418S411-L413 VanDerWaalsContact C-N 3.26Å; S411-L413 PolarHBondContact O-N 3.11Å; L413-D417 HydrophobicContact CB-CB 4.11Å; L413-D417 HydrophobicContact CD2-CB 4.14Å; L413-K418 HydrophobicContact CB-CG 4.24Å
414T84.3Confident74.4Confident8 Ų849.7 Ų49.75%0.04932%0.319CS..  trans-78.6165.6172.995.10000110.7D250 D406 T408 G416 D417 K418D250-T414 VanDerWaalsContact OD2-CB 3.24Å; D250-T414 WeakPolarHBondContact OD2-CB 3.33Å; D250-T414 PolarHBondContact OD2-OG1 3.13Å; D406-T414 HydrophobicContact CB-CG2 3.49Å; D406-T414 VanDerWaalsContact CB-CG2 3.49Å; T408-T414 HydrophobicContact CG2-CG2 4.24Å; T414-G416 PolarHBondContact O-N 3.47Å; T414-G416 PolarHBondContact OG1-N 2.7Å; T414-D417 WeakPolarHBondContact CB-OD1 3.48Å; T414-D417 WeakPolarHBondContact CG2-OD1 3.28Å; T414-D417 PolarHBondContact N-OD1 3.17Å; T414-D417 WeakPolarHBondContact O-CB 3.5Å; T414-D417 PolarHBondContact O-N 3.31Å; T414-D417 VanDerWaalsContact O-N 3.14Å; T414-D417 PolarHBondContact OG1-OD1 2.78Å; T414-K418 PolarHBondContact O-N 3.37Å
415Q84.8Confident75.8Confident39 Ų3953.2 Ų53.218%0.18233%0.326CS..Hα-helixtrans-53.8-43.3175.6-176.8-17678.900111.7F133 D250 K418 L419F133-Q415 HydrophobicContact CE2-CG 4.48Å; D250-Q415 PolarHBondContact OD2-N 3.18Å; D250-Q415 VanDerWaalsContact OD2-N 3.11Å; Q415-K418 PolarHBondContact O-N 2.84Å; Q415-L419 HydrophobicContact CG-CD1 3.96Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.39Å; Q415-L419 PolarHBondContact O-N 2.84Å
416G81.8Confident77Confident2 Ų253.4 Ų53.42%0.02131%0.311CS..Hα-helixtrans-67-29.6177.700000115.2D250 T414 R420D250-G416 PolarHBondContact OD2-N 3.24Å; T414-G416 PolarHBondContact O-N 3.47Å; T414-G416 PolarHBondContact OG1-N 2.7Å; G416-R420 WeakPolarHBondContact O-CB 3.45Å; G416-R420 PolarHBondContact O-N 2.92Å; G416-R420 VanDerWaalsContact O-N 3.14Å
417D84.6Confident76.7Confident41 Ų4160 Ų6022%0.21934%0.341CS..Hα-helixtrans-62.8-52170-68.773000110.4K278 L413 T414 L419 R420 A421K278-D417 VanDerWaalsContact CE-CG 3.4Å; K278-D417 VanDerWaalsContact CE-OD1 3.25Å; K278-D417 WeakPolarHBondContact CE-OD1 3.21Å; K278-D417 WeakPolarHBondContact CE-OD2 3.4Å; K278-D417 IonicContact NZ-OD1 3.51Å; K278-D417 PolarHBondContact NZ-OD1 3.44Å; K278-D417 IonicContact NZ-OD2 2.75Å; K278-D417 PolarHBondContact NZ-OD2 2.57Å; L413-D417 HydrophobicContact CB-CB 4.11Å; L413-D417 HydrophobicContact CD2-CB 4.14Å; T414-D417 WeakPolarHBondContact CB-OD1 3.48Å; T414-D417 WeakPolarHBondContact CG2-OD1 3.28Å; T414-D417 PolarHBondContact N-OD1 3.17Å; T414-D417 WeakPolarHBondContact O-CB 3.5Å; T414-D417 PolarHBondContact O-N 3.31Å; T414-D417 VanDerWaalsContact O-N 3.14Å; T414-D417 PolarHBondContact OG1-OD1 2.78Å; D417-L419 PolarHBondContact O-N 3.17Å; D417-R420 PolarHBondContact O-N 3.37Å; D417-A421 WeakPolarHBondContact O-CB 3.35Å; D417-A421 PolarHBondContact O-N 3.04Å
418K86.7Confident76.1Confident46 Ų4658.1 Ų58.120%0.234%0.337CS..Hα-helixtrans-60.2-48.1-177.7-60.9173.9177.1-174.90110.9F133 D409 L413 T414 Q415 R420 A421 L422F133-K418 HydrophobicContact CD2-CD 4.05Å; F133-K418 HydrophobicContact CE1-CD 4.42Å; F133-K418 HydrophobicContact CE2-CB 3.65Å; F133-K418 HydrophobicContact CE2-CD 3.58Å; F133-K418 HydrophobicContact CE2-CG 4.29Å; F133-K418 HydrophobicContact CZ-CB 3.47Å; F133-K418 VanDerWaalsContact CZ-CB 3.47Å; F133-K418 HydrophobicContact CZ-CD 3.81Å; F133-K418 HydrophobicContact CZ-CG 4.28Å; D409-K418 VanDerWaalsContact CG-NZ 3.32Å; D409-K418 IonicContact OD1-NZ 3.34Å; D409-K418 WeakPolarHBondContact OD2-CE 3.41Å; D409-K418 IonicContact OD2-NZ 2.75Å; D409-K418 PolarHBondContact OD2-NZ 2.77Å; L413-K418 HydrophobicContact CB-CG 4.24Å; T414-K418 PolarHBondContact O-N 3.37Å; Q415-K418 PolarHBondContact O-N 2.84Å; K418-R420 VanDerWaalsContact C-N 3.33Å; K418-R420 PolarHBondContact O-N 2.63Å; K418-A421 PolarHBondContact O-N 2.86Å; K418-L422 WeakPolarHBondContact O-CB 3.27Å; K418-L422 WeakPolarHBondContact O-CD1 3.25Å; K418-L422 VanDerWaalsContact O-CG 3.27Å; K418-L422 WeakPolarHBondContact O-CG 3.21Å; K418-L422 PolarHBondContact O-N 2.93Å
419L86.9Confident75.7Confident2 Ų260 Ų601%0.0134%0.336CS..Hα-helixtrans-60.2-40.5178-68.7168.5000112.4F47 A131 A279 L281 I316 Q415 D417 L422 K423F47-L419 HydrophobicContact CB-CD2 3.73Å; F47-L419 HydrophobicContact CD1-CB 4.33Å; F47-L419 HydrophobicContact CD1-CD2 3.72Å; F47-L419 HydrophobicContact CG-CD2 3.92Å; A131-L419 HydrophobicContact CB-CD2 4.18Å; A279-L419 HydrophobicContact CB-CB 3.81Å; L281-L419 HydrophobicContact CD1-CB 4.45Å; L281-L419 HydrophobicContact CD1-CD1 4.38Å; I316-L419 HydrophobicContact CD1-CD1 3.36Å; Q415-L419 HydrophobicContact CG-CD1 3.96Å; Q415-L419 VanDerWaalsContact O-CG 3.27Å; Q415-L419 WeakPolarHBondContact O-CG 3.39Å; Q415-L419 PolarHBondContact O-N 2.84Å; D417-L419 PolarHBondContact O-N 3.17Å; L419-L422 PolarHBondContact O-N 3.24Å; L419-K423 PolarHBondContact O-N 3.35Å
420R84.6Confident74.7Confident31 Ų3162 Ų6212%0.11735%0.353CS..Hα-helixtrans-65.6-44.1175.6-178.5-180-73.3-173.5-7.6111.7S191 G192 H194 K278 G416 D417 K418 L422 K423 S424S191-R420 PolarHBondContact OG-NH2 2.93Å; G192-R420 VanDerWaalsContact N-NH2 3.12Å; G192-R420 PolarHBondContact O-NH1 2.84Å; G192-R420 PolarHBondContact O-NH2 3.14Å; H194-R420 PolarHBondContact NE2-NH1 2.91Å; K278-R420 PolarHBondContact O-NH2 3.46Å; G416-R420 WeakPolarHBondContact O-CB 3.45Å; G416-R420 PolarHBondContact O-N 2.92Å; G416-R420 VanDerWaalsContact O-N 3.14Å; D417-R420 PolarHBondContact O-N 3.37Å; K418-R420 VanDerWaalsContact C-N 3.33Å; K418-R420 PolarHBondContact O-N 2.63Å; R420-L422 VanDerWaalsContact C-N 3.34Å; R420-L422 PolarHBondContact O-N 2.65Å; R420-K423 PolarHBondContact O-N 3.22Å; R420-S424 PolarHBondContact O-N 2.97Å
421A84.2Confident73.7Confident41 Ų4160.9 Ų60.934%0.33933%0.33SS..Hα-helixtrans-66.6-33.2177.200000113D417 K418 S424 R425D417-A421 WeakPolarHBondContact O-CB 3.35Å; D417-A421 PolarHBondContact O-N 3.04Å; K418-A421 PolarHBondContact O-N 2.86Å; A421-S424 PolarHBondContact O-OG 2.94Å; A421-R425 WeakPolarHBondContact O-CD 3.24Å; A421-R425 VanDerWaalsContact O-CG 3.28Å; A421-R425 WeakPolarHBondContact O-CG 3.49Å; A421-R425 PolarHBondContact O-N 3.21Å
422L85.9Confident72.7Confident55 Ų5563.1 Ų63.129%0.28834%0.341SS..Hα-helixtrans-70-38.8172.4-73.8157.8000111.6F47 F133 K418 L419 R420F47-L422 VanDerWaalsContact O-CD1 3.29Å; F47-L422 WeakPolarHBondContact O-CD1 3.35Å; F133-L422 HydrophobicContact CE1-CD1 4.01Å; F133-L422 HydrophobicContact CZ-CD1 3.68Å; K418-L422 WeakPolarHBondContact O-CB 3.27Å; K418-L422 WeakPolarHBondContact O-CD1 3.25Å; K418-L422 VanDerWaalsContact O-CG 3.27Å; K418-L422 WeakPolarHBondContact O-CG 3.21Å; K418-L422 PolarHBondContact O-N 2.93Å; L419-L422 PolarHBondContact O-N 3.24Å; R420-L422 VanDerWaalsContact C-N 3.34Å; R420-L422 PolarHBondContact O-N 2.65Å
423K85Confident70.8Confident19 Ų1964.8 Ų64.88%0.08334%0.344CS..Hα-helixtrans-69.2-36.2175.8-156.6175.5174.6172.60112.4F47 E172 V174 D178 L419 R420 R426F47-K423 HydrophobicContact CE1-CB 3.96Å; F47-K423 HydrophobicContact CE1-CD 4.3Å; F47-K423 HydrophobicContact CE1-CG 4.24Å; F47-K423 HydrophobicContact CZ-CD 4.25Å; F47-K423 HydrophobicContact CZ-CG 4.5Å; E172-K423 WeakPolarHBondContact O-CE 3.42Å; E172-K423 PolarHBondContact O-NZ 3.18Å; V174-K423 HydrophobicContact CG2-CB 4.1Å; V174-K423 HydrophobicContact CG2-CD 4.12Å; V174-K423 HydrophobicContact CG2-CG 3.78Å; D178-K423 WeakPolarHBondContact OD1-CE 3.29Å; D178-K423 IonicContact OD1-NZ 3.96Å; D178-K423 PolarHBondContact OD1-NZ 3.3Å; L419-K423 PolarHBondContact O-N 3.35Å; R420-K423 PolarHBondContact O-N 3.22Å; K423-R426 WeakPolarHBondContact O-CB 3.23Å; K423-R426 WeakPolarHBondContact O-CD 3.33Å; K423-R426 WeakPolarHBondContact O-CG 3.24Å; K423-R426 PolarHBondContact O-N 3.09Å
424S79.4Confident68.9Low20 Ų2065.3 Ų65.314%0.1437%0.368CS..Hα-helixtrans-64.8-40.8178.782.80000111.7Y203 R420 A421 R426Y203-S424 VanDerWaalsContact CE1-C 3.4Å; Y203-S424 WeakPolarHBondContact CE1-O 3.02Å; R420-S424 PolarHBondContact O-N 2.97Å; A421-S424 PolarHBondContact O-OG 2.94Å; S424-R426 PolarHBondContact O-N 3.38Å
425R79.4Confident66.2Low171 Ų17168 Ų6865%0.64540%0.398SS*.THydrogen-bonded Turntrans-64.20.9179.9-69.4170.5-175.6-1630.6116.1A421 H427A421-R425 WeakPolarHBondContact O-CD 3.24Å; A421-R425 VanDerWaalsContact O-CG 3.28Å; A421-R425 WeakPolarHBondContact O-CG 3.49Å; A421-R425 PolarHBondContact O-N 3.21Å; R425-H427 PolarHBondContact O-ND1 2.73Å
426R80.4Confident63.5Low55 Ų5570.7 Ų70.721%0.20843%0.427CS..PPolyproline II helixtrans-76131.7178.9-66.3169.1-179.6-142.4-1.9109.5E45 N46 K423 S424E45-R426 VanDerWaalsContact O-CZ 3.29Å; E45-R426 PolarHBondContact O-NH1 2.7Å; E45-R426 PolarHBondContact O-NH2 3.33Å; E45-R426 WeakPolarHBondContact OE2-CD 3.33Å; E45-R426 IonicContact OE2-NH1 3.47Å; E45-R426 PolarHBondContact OE2-NH1 3.03Å; N46-R426 PolarHBondContact O-NH2 3.28Å; K423-R426 WeakPolarHBondContact O-CB 3.23Å; K423-R426 WeakPolarHBondContact O-CD 3.33Å; K423-R426 WeakPolarHBondContact O-CG 3.24Å; K423-R426 PolarHBondContact O-N 3.09Å; S424-R426 PolarHBondContact O-N 3.38Å
427H57.5Low61Low163 Ų16376.8 Ų76.876%0.75546%0.463SS*.PPolyproline II helixtrans-78.3136.3-176.8-73.253.5000110.2R425 R429R425-H427 PolarHBondContact O-ND1 2.73Å; H427-R429 PolarHBondContact O-N 3.11Å; H427-R429 VanDerWaalsContact O-N 3.08Å
428P52.6Low58.4Low90 Ų9086 Ų8658%0.58450%0.495SS*.PPolyproline II helixtrans-60.1116.1175-22.532.9000110.4
429R53.8Low55.6Low106 Ų10693.4 Ų93.440%0.453%0.527SS..PPolyproline II helixtrans-69.2137166.5-66.1-169-169.6-158.85.2108.9E41 V43 E45 R173 H427 S431E41-R429 PolarHBondContact O-NH1 3.07Å; V43-R429 PolarHBondContact O-NH2 3.1Å; E45-R429 IonicContact OE1-CZ 3.39Å; E45-R429 IonicContact OE1-NE 3.08Å; E45-R429 PolarHBondContact OE1-NE 2.61Å; E45-R429 IonicContact OE1-NH2 3.92Å; R173-R429 PolarHBondContact NH2-O 3.38Å; R173-R429 VanDerWaalsContact NH2-O 3.13Å; H427-R429 PolarHBondContact O-N 3.11Å; H427-R429 VanDerWaalsContact O-N 3.08Å; R429-S431 PolarHBondContact O-N 3.18Å
430P39.5Very low52.7Low115 Ų115102.2 Ų102.275%0.74757%0.569SS**PPolyproline II helixtrans-51.7132.7155.8-18.931000107.8V432P430-V432 PolarHBondContact O-N 3.2Å
431S35.8Very low49.9Very low72 Ų72109.7 Ų109.750%0.50361%0.605SS.*PPolyproline II helixtrans-53.1132.9169.549.70000108.4R429 S433R429-S431 PolarHBondContact O-N 3.18Å; S431-S433 PolarHBondContact O-N 2.66Å; S431-S433 PolarHBondContact O-OG 2.79Å; S431-S433 PolarHBondContact OG-OG 3.28Å
432V44Very low47.2Very low120 Ų120112.5 Ų112.573%0.72762%0.622SS**  trans-78.560170.5-171.10000108P430 G434P430-V432 PolarHBondContact O-N 3.2Å; V432-G434 PolarHBondContact O-N 3.41Å
433S35.1Very low44.5Very low87 Ų87119.8 Ų119.861%0.60865%0.652SS**  trans-54.8134.5169-37.10000107.3S431 G435S431-S433 PolarHBondContact O-N 2.66Å; S431-S433 PolarHBondContact O-OG 2.79Å; S431-S433 PolarHBondContact OG-OG 3.28Å; S433-G435 VanDerWaalsContact C-N 3.33Å; S433-G435 PolarHBondContact O-N 2.65Å
434G40.3Very low41.7Very low88 Ų88124.5 Ų124.591%0.90769%0.687SS**  trans-59.581-164.900000115.9V432V432-G434 PolarHBondContact O-N 3.41Å
435G27.9Very low39.2Very low66 Ų66132.1 Ų132.168%0.6872%0.72SS**  trans-70.7126.9170.200000110.6S433 V437S433-G435 VanDerWaalsContact C-N 3.33Å; S433-G435 PolarHBondContact O-N 2.65Å; G435-V437 PolarHBondContact O-N 3.48Å
436A28.4Very low36.7Very low95 Ų95133.7 Ų133.779%0.78573%0.734SS**  trans-56.8131.1173.300000110.2R438A436-R438 PolarHBondContact O-N 2.55Å
437V29.9Very low34.4Very low129 Ų129142.4 Ų142.478%0.78277%0.767SS**  trans-67.594.3176.8-178.50000108.4G435 F439G435-V437 PolarHBondContact O-N 3.48Å; V437-F439 PolarHBondContact O-N 2.97Å
438R28.7Very low33Very low235 Ų235140.7 Ų140.789%0.88777%0.77SS**PPolyproline II helixtrans-66.5124.7161.5-81.3-172.7172.3175.5-1107.8A436 E440A436-R438 PolarHBondContact O-N 2.55Å; R438-E440 PolarHBondContact O-N 3.01Å
439F27.8Very low31.9Very low201 Ų201141.5 Ų141.588%0.88278%0.778SS**PPolyproline II helixtrans-63.9121.5167.8-118.7-106000107.9V437V437-F439 PolarHBondContact O-N 2.97Å
440E27Very low31Very low188 Ų188142.2 Ų142.288%0.87980%0.8SS**PPolyproline II helixtrans-89.8122.5161.1-85.9-158.3146.600109.5R438R438-E440 PolarHBondContact O-N 3.01Å
441E25.5Very low31.1Very low187 Ų187142.2 Ų142.287%0.87480%0.8SS**PPolyproline II helixtrans-101.5159.3163.5-168.1159.9-15300109.3
442S27.5Very low30.9Very low101 Ų101145 Ų14571%0.70682%0.816SS**PPolyproline II helixtrans-94.6140.7-154.7-52.60000115.7
443K28.5Very low30.2Very low208 Ų208147.5 Ų147.590%0.90482%0.824SS**  trans78.4151.7163.6-54.2177.6177.8-178.40115.2
444S26.3Very low30Very low118 Ų118154.8 Ų154.883%0.82584%0.839SS**  cis-143169.817.443.10000114.2
445H26.6Very low29.5Very low180 Ų180159.1 Ų159.183%0.83384%0.84SS**  trans-66.5145.8-174.2-59.5-87000115.7
446H28.6Very low29.5Very low203 Ų203161.1 Ų161.194%0.9484%0.843SS**  trans-148.2162.2136.8-93.5-62.9000111.7
447R30.4Very low29.7Very low238 Ų238166.7 Ų166.790%0.89885%0.85SS**  trans-92.2149-165.6-167.9177-173.4-175.62.4111.3
448P29.5Very low29.6Very low127 Ų127164.3 Ų164.383%0.82585%0.852SS**  trans-88.8155.2-169.334.5-36.5000114.6
449S28.1Very low29.6Very low107 Ų107158.9 Ų158.975%0.74885%0.849SS**  trans-146.4113.2168.358.10000112.6
450S35.1Very low29.8Very low122 Ų122155.1 Ų155.185%0.85385%0.848SS**  trans63.7151153-51.60000120.3
451P41.5Very low30Very low115 Ų115154.6 Ų154.675%0.74785%0.845SS**PPolyproline II helixtrans-97.5160.4-163.838.5-36.4000114.7
452P32.3Very low30.2Very low131 Ų131150.9 Ų150.985%0.85184%0.84SS**PPolyproline II helixtrans-85.4138.6170.933.5-32.2000112.7
453L29.7Very low31.3Very low171 Ų171151.8 Ų151.890%0.89584%0.844SS**PPolyproline II helixtrans-87.3165.8171.5-85.6163.9000112.5
454R31Very low31.5Very low241 Ų241146.1 Ų146.191%0.90984%0.836SS**PPolyproline II helixtrans-50.1141.2-178.4-72.1169.3161156.2-7.7114.2
455L29.1Very low31.7Very low179 Ų179145.1 Ų145.194%0.93783%0.829SS**PPolyproline II helixtrans-91.3119.9151.2-88.9111.8000110.5
456S27.7Very low31.9Very low107 Ų107143.4 Ų143.475%0.74882%0.824SS**PPolyproline II helixtrans-98149.2156.247.10000109.5
457K32.6Very low32.1Very low213 Ų213141.6 Ų141.693%0.92682%0.821SS**PPolyproline II helixtrans-63.1135.9176.1-75.6178.6173.6178.40110.5
458G29.1Very low32.2Very low79 Ų79139.7 Ų139.781%0.81482%0.819SS**PPolyproline II helixtrans-80.9167.5175.300000113.8
459S27.9Very low32.9Very low120 Ų120139 Ų13984%0.83981%0.814SS**  trans-141.1163.2165.5-176.30000108.3
460S31.3Very low32.9Very low122 Ų122138.5 Ų138.585%0.85381%0.811SS**  trans73157.9-179.885.20000117.7
461Q32.4Very low32.7Very low177 Ų177142.3 Ų142.383%0.82781%0.812SS**  trans-126.6147.3-152.1-58.6168.9-1000110.8
462S29.8Very low32.3Very low110 Ų110144.6 Ų144.677%0.76982%0.817SS**  trans59.4163.8136.4-650000121.1
463P49.8Very low32.9Very low119 Ų119144.1 Ų144.177%0.77381%0.814SS**  cis-136.3-165.4-35.737.4-19.4000112.9
464A32.1Very low32.9Very low90 Ų90140.1 Ų140.174%0.74481%0.806SS**  trans80.7149.1160.500000118.3
465S30.3Very low32.9Very low97 Ų97134.4 Ų134.468%0.67880%0.803SS**  cis-171.9-176.2-26.456.10000109.7
466I32.2Very low33Very low144 Ų144130.3 Ų130.374%0.73879%0.789SS**  trans91.8102.1154-69.8163.8000119.8
467L31.9Very low33.1Very low165 Ų165131.6 Ų131.686%0.86479%0.793SS**  trans76.7133.1134.7-59.5179.3000124.8
468K32.4Very low33.2Very low198 Ų198126.8 Ų126.886%0.86179%0.786SS**  trans-80.1-176.6159.7-61.1177.9176.3175.60109.3
469P43.8Very low34Very low111 Ų111129 Ų12972%0.72179%0.786SS**  cis-150.5172.415.545.5-24.4000120.4
470S29.6Very low34.1Very low97 Ų97127.7 Ų127.768%0.67878%0.782SS**  trans24.1134.4144.967.40000123.8
471K30.5Very low34.1Very low202 Ų202126.6 Ų126.688%0.87878%0.781SS**  178.3154.9103.6-98.9177.3178.81790114.3
472L33.9Very low34.1Very low164 Ų164128.7 Ų128.786%0.85979%0.787SS**  trans-91.5161.5164.6-61.3166.4000109.4
473P44.4Very low34.1Very low120 Ų120134.2 Ų134.278%0.77979%0.791SS**  -134.5167.571.613.412.6000113
474A29.5Very low33.3Very low87 Ų87136.3 Ų136.372%0.71979%0.794SS**  cis96.3135.436.400000115.6
475S31.4Very low33.3Very low121 Ų121134.9 Ų134.985%0.84679%0.788SS**  trans67.1151.8171.569.20000118.6
476S29.9Very low33.5Very low94 Ų94141.9 Ų141.966%0.65780%0.8SS**  cis-170.7178.7-18.953.60000111.7
477T31Very low33.5Very low134 Ų134142.1 Ų142.182%0.82280%0.802SS**  trans70.1122.6150.641.50000122.2
478S34.3Very low33.5Very low112 Ų112139.4 Ų139.478%0.78380%0.797SS**  trans-77168.3160.4-38.60000111.8
479P45Very low33.5Very low125 Ų125138.1 Ų138.181%0.81280%0.799SS**  -157.4164.388.440.5-20.6000119.4
480A30.5Very low33Very low93 Ų93137.9 Ų137.977%0.76980%0.8SS**  trans55.9114.2140.200000125.4
481A30.5Very low34.2Very low99 Ų99138.8 Ų138.882%0.81880%0.803SS**  64.1124.8120.500000124.3
482K33Very low34.2Very low220 Ų220136.7 Ų136.796%0.95780%0.798SS**  trans-154.4178.1135.6-117.8166.8-174.8172.80112.2
483R30.5Very low34.2Very low226 Ų226132.8 Ų132.885%0.85379%0.785SS**  trans-136.4167.9-139.1-161-166.7-149.6-165.19.1113.1
484I33.7Very low33.6Very low163 Ų163133.2 Ų133.284%0.83678%0.781SS**  trans85133.9164.4-49161.1000114.5
485G30.1Very low33.8Very low60 Ų60135.3 Ų135.362%0.61978%0.779SS**  cis160158.5-11.500000114.5
486R35.7Very low33.8Very low245 Ų245141 Ų14193%0.92578%0.781SS**  trans64.7148.2166.7-73.6177.6179.7162.5-1.7116.8
487N32.6Very low33.9Very low149 Ų149141.5 Ų141.580%0.79779%0.785SS**  cis-141.5166.315.3-109.8-8.5000112.9
488S32Very low33.9Very low108 Ų108140.8 Ų140.876%0.75579%0.785SS**  trans-89.7160.5178.3-45.60000113.8
489L31Very low34Very low171 Ų171139.6 Ų139.690%0.89578%0.782SS**  176.8149.3117.2-92.4162.5000113.1
490S33.1Very low33.4Very low106 Ų106143.6 Ų143.674%0.74179%0.787SS**  trans-132.6-167.8176-27.90000107.4
491P56.7Low33.4Very low115 Ų115142.5 Ų142.575%0.74779%0.785SS**  cis-136-151.4-23.734.1-11.1000112.3
492M30.3Very low33.6Very low158 Ų158142.8 Ų142.878%0.77878%0.781SS**  trans94.4118.3161.9-52.2-156.876.700116.8
493S33.4Very low33.7Very low82 Ų82143 Ų14357%0.57378%0.776SS**  72.4138.378.3101.30000112.8
494N32Very low33.9Very low129 Ų129140.4 Ų140.469%0.6978%0.778SS**  cis-169.1160.431.9-114.3-26.1000111.9
495I33.8Very low33.9Very low132 Ų132136.6 Ų136.668%0.67777%0.771SS**  trans41122.4136.7-56.4162.8000119.9
496R31.2Very low33.9Very low240 Ų240139.4 Ų139.491%0.90678%0.781SS**  178.9162.496.6-135.8155.6-152.3-170.67.1114.4
497S31.5Very low33.6Very low105 Ų105133.4 Ų133.473%0.73478%0.776SS**  trans-106.2154.5178.854.60000113.2
498S30.8Very low33.7Very low118 Ų118134.4 Ų134.483%0.82578%0.781SS**  trans-171.7158.7134.253.70000111.9
499A35.7Very low33.7Very low87 Ų87132.9 Ų132.972%0.71978%0.782SS**  trans-125.5147.3-177.600000111.8
500F32.8Very low33.8Very low209 Ų209132.4 Ų132.492%0.91778%0.781SS**  trans-151.7144.2155.6-71.4-75.6000104.9
501G31.5Very low33.8Very low71 Ų71135.9 Ų135.973%0.73279%0.79SS**  cis85.4120.937.700000109.3
502S35.2Very low32.5Very low104 Ų104141.4 Ų141.473%0.72780%0.798SS**  cis-175.1160-1.858.20000111.5
503R34.4Very low32.5Very low226 Ų226138.5 Ų138.585%0.85380%0.799SS**  trans76.6147.1143.7-80.8174.5-178.6-149.70.7122.5
504L35.4Very low32.4Very low171 Ų171138.8 Ų138.890%0.89581%0.806SS**  trans71.2149162.1-61.6164000117.1
505A32.4Very low32.5Very low82 Ų82140.9 Ų140.968%0.67882%0.817SS**  cis-161.3167.4-21.100000110.7
506S29.6Very low32.5Very low119 Ų119138.7 Ų138.783%0.83282%0.819SS**  trans-22.7138.5167.552.70000120
507S29.6Very low32.8Very low119 Ų119136.9 Ų136.983%0.83282%0.821SS**  -159.4151.7114.1-167.40000112.4
508L35.1Very low33Very low171 Ų171140.9 Ų140.990%0.89583%0.828SS**  trans-77.8165165.4-67.7155.2000110.7
509G31.6Very low33.3Very low76 Ų76143.3 Ų143.378%0.78483%0.832SS**  trans157.597.9163.600000113.8
510D34.5Very low33.3Very low161 Ų161146.4 Ų146.486%0.86183%0.831SS**  trans-65143.1171-58.1-77.7000112.2
511L31.4Very low33.4Very low179 Ų179146.1 Ų146.194%0.93783%0.83SS**  trans-142.2136.9146.1-83.9-175.7000110.8
512Y30.8Very low33.5Very low231 Ų231148.1 Ų148.191%0.90683%0.828SS**  trans-93168.1173.4-120.4-96.4000110.2
513A30Very low34.3Very low97 Ų97147.9 Ų147.980%0.80282%0.824SS**  trans70.4144.8172.500000115.8
514A32Very low34.2Very low87 Ų87146.5 Ų146.572%0.71982%0.824SS**  cis-157.1159.8-1300000108.3
515D33.2Very low34Very low173 Ų173144 Ų14493%0.92582%0.821SS**  trans-137.7129.7151.5-89.3-43.6000107.8
516A34.2Very low34Very low87 Ų87145.2 Ų145.272%0.71982%0.824SS**  trans-119.2140.817300000107.4
517E38.3Very low34.3Very low201 Ų201147.5 Ų147.594%0.93983%0.827SS**  trans-130140.7150.8-75.4-154.5157.600109.3
518E35.8Very low35.1Very low190 Ų190146.9 Ų146.989%0.88882%0.819SS**  trans-95.5157-174.5-57.2174.6136.200109.9
519D35.1Very low35.2Very low169 Ų169144.8 Ų144.890%0.90482%0.816SS**  trans-148.9124.5151.4-140.5-13000110
520E37Very low35.4Very low152 Ų152146.9 Ų146.971%0.7182%0.819SS**  trans-90.1144.2-175.5-91.1-153.4128.200112.8
521K34.8Very low35.4Very low203 Ų203144.5 Ų144.588%0.88382%0.815SS**  -172.9150.1118.5-98.3147.2-168.4157.80113.8
522T33.4Very low35.6Very low113 Ų113141.1 Ų141.169%0.69381%0.806SS**  trans-108.1-164.3-166.7620000110.8
523P52.5Low35.7Very low99 Ų99136.1 Ų136.164%0.64381%0.805SS**  cis-140.5-173.6-5.626.7-0.1000116.8
524F32.3Very low35.9Very low196 Ų196136.5 Ų136.586%0.8680%0.802SS**  trans70.6123.2165.5-66.5-76.3000118.8
525S31.7Very low35.9Very low120 Ų120140.5 Ų140.584%0.83981%0.809SS**  cis-160.3169.747490000113
526S31.3Very low35.9Very low106 Ų106137.4 Ų137.474%0.74180%0.802SS**  trans-118.9154.4-164.950.10000114.5
527L35.4Very low35.9Very low168 Ų168139.9 Ų139.988%0.8881%0.807SS**  trans172.4163.6134.8-88.7167.8000110.3
528P47.7Very low35.8Very low105 Ų105135.7 Ų135.768%0.68280%0.8SS**  trans-115.7172.3-136.142.8-37.7000116.4
529P37Very low36.2Very low127 Ų127132.8 Ų132.883%0.82580%0.798SS**PPolyproline II helixtrans-82.7148.4163.634.8-33.6000112.4
530S35.5Very low36.2Very low120 Ų120129.3 Ų129.384%0.83979%0.792SS**PPolyproline II helixtrans-89.8125.3179.251.80000113.6
531S33.9Very low36.7Very low112 Ų112128 Ų12878%0.78380%0.797SS**PPolyproline II helixtrans-67.9167150.543.40000110.5
532S35.2Very low36.6Very low107 Ų107124.5 Ų124.575%0.74880%0.798SS**  cis-166.3161.1-6.639.30000108.5
533S33.3Very low36.8Very low126 Ų126123.8 Ų123.888%0.88180%0.804SS**  167.5155.212847.90000112.8
534S34Very low36.5Very low106 Ų106125.1 Ų125.174%0.74181%0.813SS**  trans-130.2138.8-167.352.50000111.3
535I33.4Very low36.6Very low170 Ų170121 Ų12187%0.87281%0.808SS**  trans-136.3136.3159.3-65-174.1000109.4
536S32Very low37.4Very low109 Ų109121.9 Ų121.976%0.76281%0.811SS**  trans-105.9146.8-176.3-45.60000111.3
537V35.2Very low37.3Very low139 Ų139119.8 Ų119.884%0.84281%0.806SS**  trans-141.9133.6164-1740000110.2
538S35.9Very low37.2Very low113 Ų113123.1 Ų123.179%0.7981%0.809SS**  trans-100.5156.3-179.6-50.10000112.4
539P44.3Very low36.5Very low128 Ų128123.5 Ų123.583%0.83181%0.813SS**  trans-111.1145171.537.6-29.4000114.4
540A34.8Very low36.2Very low96 Ų96121.3 Ų121.379%0.79381%0.814SS**  trans-163.4174.6164.300000109.2
541P47.3Very low36Very low126 Ų126119.2 Ų119.282%0.81881%0.811SS**  -118.6-179.7-76.937.7-24.3000112.6
542S32.2Very low36.8Very low128 Ų128119.4 Ų119.490%0.89581%0.81SS**  trans-133.1125.8-172.6-45.80000115.2
543A37.3Very low36.8Very low99 Ų99126.3 Ų126.382%0.81882%0.82SS**  trans-172.1166.9161.200000108.5
544P46.3Very low36.6Very low127 Ų127123.7 Ų123.783%0.82581%0.813SS**  cis-129.5-166.1-1.641.1-22.8000114.7
545S36.1Very low36.5Very low109 Ų109123.2 Ų123.276%0.76282%0.815SS**  trans-75.7175.8-174.2-34.10000116.9
546P46.7Very low36.4Very low138 Ų138123.5 Ų123.590%0.89681%0.813SS**  -135.6177112.238.5-28.2000114.4
547G30.3Very low36.4Very low62 Ų62126.1 Ų126.164%0.63981%0.813SS**  trans-141.4-151-170.900000116.7
548Y33.9Very low36.3Very low239 Ų239128.4 Ų128.494%0.93781%0.814SS**  trans76.5143.1-167.5-64.4-88.6000114.8
549S32.2Very low36.1Very low112 Ų112129.4 Ų129.478%0.78382%0.815SS**  cis-165.5160.9-6.244.80000112.2
550G30.8Very low35.5Very low81 Ų81130.8 Ų130.884%0.83582%0.815SS**  trans102.4113154.400000119.5
551G30.1Very low35.3Very low76 Ų76133 Ų13378%0.78481%0.814SS**  trans-94.5-165.6160.700000112.2
552P52.1Low34.6Very low117 Ų117134.1 Ų134.176%0.7681%0.813SS**  cis-152159.449.640-19000120.4
553R33.8Very low34.6Very low252 Ų252131.9 Ų131.995%0.95180%0.797SS**  trans71.9131.4139.7-75.2172.2-178.5-151.8-0.4123.9
554G30.1Very low34.4Very low71 Ų71133.3 Ų133.373%0.73280%0.796SS**  trans129.985.3154.300000113.6
555A31.4Very low33.7Very low96 Ų96134.1 Ų134.179%0.79379%0.793SS**  62.4125.494.300000114.1
556Q31.2Very low33.5Very low176 Ų176139.7 Ų139.782%0.82280%0.799SS**  cis-162.2153.610.2-107.2167.2-18.900111.9
557H32.2Very low32.7Very low163 Ų163137 Ų13776%0.75580%0.797SS**  trans47.9102.8152.3-80.6-76.5000122.8
558E32.8Very low32.7Very low187 Ų187137.7 Ų137.787%0.87480%0.803SS**  -87.9157.5129.6-60.4-178.3135.500109.9
559V32.6Very low32.6Very low134 Ų134132.7 Ų132.781%0.81280%0.803SS**  trans-148.1126.1137.8-178.80000109.9
560N30.7Very low32.5Very low157 Ų157132.5 Ų132.584%0.8481%0.808SS**  trans-90.7152.9169.8-176.318.4000110.4
561N30.7Very low32.5Very low142 Ų142133.1 Ų133.176%0.75981%0.806SS**  trans-125.3124.7-171.1-171.612.8000113
562N33Very low33.4Very low150 Ų150135.1 Ų135.180%0.80281%0.805SS**  trans-162.2127.6152.1-125.9-7000116.3
563S33.4Very low33.5Very low81 Ų81135.6 Ų135.657%0.56681%0.808SS**  trans63.6109.8139.162.10000125.1
564T31.4Very low33.4Very low130 Ų130127.8 Ų127.880%0.79880%0.797SS**  trans67.1150.1133.7560000121
565L32.3Very low33.6Very low143 Ų143130.1 Ų130.175%0.74980%0.797SS**  cis-163.1178.428.8-135.2148.7000113.3
566Y32.3Very low33.6Very low227 Ų227135.3 Ų135.389%0.8980%0.802SS**  trans76140.6-178.4-64.8-90.3000116.3
567G30.4Very low33.4Very low82 Ų82130 Ų13085%0.84579%0.794SS**  cis139.1136.6-4.500000111.4
568G28.8Very low33.2Very low75 Ų75133.2 Ų133.277%0.77380%0.801SS**  cis-180-151.21.700000112.2
569S31.5Very low32.9Very low134 Ų134132.7 Ų132.794%0.93780%0.801SS**  trans98.5146.4167.2-65.90000122.8
570A30.1Very low32.8Very low109 Ų109136 Ų13690%0.90180%0.799SS**  trans90.7138.7165.900000120.9
571A31.3Very low33.2Very low94 Ų94134.6 Ų134.678%0.77780%0.798SS**  trans-128.9-164.1-178.900000109
572P49.9Very low33.1Very low118 Ų118134.7 Ų134.777%0.76679%0.794SS**  cis-132.4-141.3-8.345.2-25.3000110.4
573P53Low33Very low126 Ų126134.8 Ų134.882%0.81879%0.789SS**  cis-123.5-161.6-3137.3-18.2000113.2
574A33.5Very low32.7Very low88 Ų88140 Ų14073%0.72781%0.805SS**  trans-120.5-177.9-170.900000114.9
575V33.5Very low32.7Very low121 Ų121140.6 Ų140.673%0.73380%0.803SS**  trans147.6133131.1167.40000116.4
576K30.6Very low32.6Very low204 Ų204140.9 Ų140.989%0.88781%0.811SS**  trans61.9129.6157.7-78164.5-171.9176.20123.1
577G27Very low32.4Very low65 Ų65135 Ų13567%0.6780%0.803SS**  124.6108.795.900000121.5
578Y27.6Very low32.5Very low230 Ų230135.2 Ų135.290%0.90280%0.796SS**  trans65.5157.8140.7-82.9-81.2000124.2
579M28.3Very low32.5Very low176 Ų176140.6 Ų140.687%0.86780%0.799SS**  trans89.3127.8159.2-75.6-67.8173.600121.1
580R30Very low32.5Very low204 Ų204144.7 Ų144.777%0.7779%0.794SS**  trans-102.5155.2164.9-171.5-169.6-165.2-165.67106.7
581P39Very low32.3Very low127 Ų127143 Ų14383%0.82579%0.787SS**  trans-135.4179.2131.326.2-8.3000114.4
582Q27.7Very low32.3Very low145 Ų145147.2 Ų147.268%0.67879%0.79SS**  trans-103166-167.5-91.4173.2-6700113.5
583H31Very low31.3Very low151 Ų151144.7 Ų144.770%0.69979%0.786SS**  trans39.2128.5147.4-74.9-85.2000120.6
584Q28.5Very low31.1Very low192 Ų192145.1 Ų145.190%0.89779%0.788SS**  -166.1143.9105.3-105.8170.76.700113.1
585D29.7Very low31.2Very low142 Ų142151.7 Ų151.776%0.75980%0.796SS**  trans-79.5142168.4-55.4-90.5000111.3
586V30.5Very low31.1Very low149 Ų149152.1 Ų152.190%0.90380%0.804SS**  trans-146.7143.9143.1-170.10000109.6
587S29.2Very low31.1Very low104 Ų104146.2 Ų146.273%0.72779%0.794SS**  trans-98.3153.1-172.6440000115
588A31.8Very low31.5Very low85 Ų85152.4 Ų152.470%0.70281%0.807SS**  trans40.9134.7146.900000121.9
589F29.6Very low31.7Very low188 Ų188151.4 Ų151.483%0.82581%0.808SS**  -169.1126114.6-112.6-81.2000114.4
590R30.6Very low31.8Very low220 Ų220146.5 Ų146.583%0.8380%0.802SS**  trans18.2142.1153.5-64.6-177.9175.8-159.4-1.3123.3
591G27.2Very low32.4Very low74 Ų74143.2 Ų143.276%0.76381%0.807SS**  trans-171.480.2158.100000114.8
592H31.3Very low32.3Very low183 Ų183143.2 Ų143.285%0.84781%0.811SS**  trans18.6130.9155.3-77.5-85.1000122.8
593G28.8Very low32.5Very low65 Ų65140.2 Ų140.267%0.6782%0.819SS**  trans-94.4-169.3154.400000112.7
594P48Very low32.7Very low134 Ų134144.4 Ų144.487%0.8783%0.828SS**  -136.5165.1124.237.6-27.2000115.1
595Y34.6Very low32.8Very low227 Ų227145.7 Ų145.789%0.8983%0.826SS**  trans-89.2160.4-179-75.3-106.6000113
596S32Very low32.9Very low129 Ų129145.9 Ų145.990%0.90283%0.826SS**  -152.7157.3126.4-159.20000111.5
597A31.8Very low32.8Very low81 Ų81144 Ų14467%0.66982%0.82SS**  trans-142.6155.2-16900000112.5
598M34Very low32.9Very low195 Ų195150.1 Ų150.196%0.96183%0.827SS**  trans-136.2148.7167.1-89.3-69164.700110.5
599K33.1Very low33Very low208 Ų208151.4 Ų151.490%0.90483%0.831SS**  trans-113.4144.1-163.3-75.2177.5173175.60114.3
600G30.3Very low33.2Very low73 Ų73150 Ų15075%0.75383%0.83SS**  trans83.1170.1144.100000117.6
601P41.9Very low33.4Very low135 Ų135145.1 Ų145.188%0.87783%0.827SS**  cis-113.5175.57.240.1-30.2000115.1
602S36.2Very low33.5Very low128 Ų128146.4 Ų146.490%0.89582%0.824SS**  trans-97.2140-179.7-51.50000113.1
603G32.1Very low33.5Very low82 Ų82146.4 Ų146.485%0.84583%0.829SS**  trans-118.9124.1168.200000111.7
604R35.3Very low33.6Very low238 Ų238151.3 Ų151.390%0.89884%0.835SS**  trans-90.1137.1173.4-64.6172.1174.1163.4-3.4109.6
605Y31.5Very low32.9Very low220 Ų220150 Ų15086%0.86383%0.829SS**  trans-148.8108.6150.3-102.4-73.6000113.4
606L30.3Very low32.8Very low145 Ų145147.9 Ų147.976%0.75983%0.827SS**  trans40.8100.8147.4-58177.3000120.6
607S28.9Very low32.7Very low109 Ų109151.3 Ų151.376%0.76282%0.822SS**  trans-64.5139.6145.8173.90000110.7
608R32.1Very low32.8Very low234 Ų234154.6 Ų154.688%0.88383%0.827SS**  trans-110.3105.7161.7-76.6-168.1177.3-150.20.5109.5
609S32.7Very low32.7Very low111 Ų111152.8 Ų152.878%0.77682%0.816SS**  trans-77.6140.3166.329.50000110.8
610I35Very low33Very low160 Ų160157.6 Ų157.682%0.82183%0.831SS**  trans-131139169.2-68-175.9000106.6
611P35Very low33.1Very low116 Ų116161.9 Ų161.975%0.75384%0.835SS**  trans-89.8162.3-144.333.5-37.1000115.9
612S29.7Very low32.7Very low102 Ų102163.3 Ų163.371%0.71383%0.832SS**  trans-66.6122.5169.249.10000112Q614S612-Q614 PolarHBondContact O-N 2.99Å; S612-Q614 VanDerWaalsContact O-N 3.09Å
613L30.5Very low32.5Very low182 Ų182165.2 Ų165.295%0.95383%0.829SS**  trans-74.993.6167.3-78.7164.6000110.2
614Q30.1Very low32.5Very low169 Ų169170.1 Ų170.179%0.7983%0.828SS**  trans-85.5122.4158.3-81.9-178.1-57.900109.5S612 E616S612-Q614 PolarHBondContact O-N 2.99Å; S612-Q614 VanDerWaalsContact O-N 3.09Å; Q614-E616 PolarHBondContact O-N 2.94Å
615S34.2Very low32.3Very low107 Ų107165.9 Ų165.975%0.74882%0.823SS**  trans7106.2142.3170.10000116.9
616E31.6Very low32.4Very low181 Ų181162.3 Ų162.385%0.84682%0.821SS**  trans-112.3131.4147.2-75.7-165.8157.900110.4Q614Q614-E616 PolarHBondContact O-N 2.94Å
617Y31.4Very low32.5Very low201 Ų201163.5 Ų163.579%0.78883%0.825SS**  trans-99.9120.6-179-144.1-96.1000106.1Q619Y617-Q619 HydrophobicContact CD1-CG 4.48Å
618I33.8Very low32.8Very low151 Ų151167.7 Ų167.777%0.77483%0.83SS**  trans-121.9110.4169.9-61.2-178.2000107.8
619Q32Very low32.9Very low157 Ų157162.2 Ų162.273%0.73483%0.826SS**  trans-77.6130.3159.6-66.8176.6-80.200108.1Y617Y617-Q619 HydrophobicContact CD1-CG 4.48Å
620Y38.8Very low32.9Very low309 Ų309166.8 Ų166.8100%1.21283%0.83SS**  -1620118.7-100.8-67.9000109.3

Retrieved 620 of 620 residues in 261.9 ms (Link to these results)

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