A0A060WFV6_ONCMY Loading...

superoxide dismutase

Probable multifunctional globin with a hexacoordinated heme iron required for the catalysis of various reactions depending on redox condition of the cell as well as oxygen availability. Has a nitric oxide dioxygenase (NOD) activity and is most probably involved in cell-mediated and oxygen-dependent nitric oxide consumption. Under normoxic conditions functions as a nitric oxide dioxygenase (NOD) but under hypoxic conditions the globin may switch its function to that of a nitrite (NO2) reductase (NiR), generating nitric oxide. Could also have peroxidase and superoxide dismutase activities, detoxifying reactive oxygen species and protecting cells against oxidative stress. Also binds dioxygen with low affinity and could function as an oxygen sensor but has probably no function as a respiratory oxygen carrier.

AlphaFold DB , UniProt , Accession A0A060WFV6, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 181 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
1M36.5Very low38.9Very low222 Ų222144.5 Ų144.5100%1.09482%0.817SS**  087.90-122.9126.217700106.1
2E31.8Very low38.7Very low176 Ų176147.9 Ų147.982%0.82283%0.825SS**  72.2128.2110.1-67.6-174.9117.300111.9
3S38.6Very low38.7Very low99 Ų99150.4 Ų150.469%0.69283%0.826SS**  cis-167.8143.3-9.4-178.90000105.1
4P43.9Very low39Very low124 Ų124156.1 Ų156.181%0.80583%0.829SS**  trans-74.9126.5170.3-724.4000109.7D6P4-D6 PolarHBondContact O-N 2.75Å; P4-D6 VanDerWaalsContact O-N 3.15Å
5R44.9Very low39.5Very low246 Ų246148 Ų14893%0.92880%0.797SS**  trans-76.2105.2173.9-71.9-174.9-171.5176.12.4110.1
6D39.5Very low40.3Very low151 Ų151150.1 Ų150.181%0.80780%0.8SS**  52.3111.9130-15120.6000118.3P4 G8P4-D6 PolarHBondContact O-N 2.75Å; P4-D6 VanDerWaalsContact O-N 3.15Å; D6-G8 PolarHBondContact O-N 2.71Å
7V44.9Very low41.7Very low133 Ų133153.2 Ų153.281%0.80680%0.799SS**  trans-72.9106.3171.1177.30000106.7G9V7-G9 PolarHBondContact O-N 3.26Å
8G32.8Very low43.3Very low69 Ų69146.1 Ų146.171%0.71177%0.766SS**  trans-6583.4166.600000110D6 E10D6-G8 PolarHBondContact O-N 2.71Å; G8-E10 PolarHBondContact O-N 2.96Å
9G43.2Very low45.1Very low71 Ų71145.4 Ų145.473%0.73276%0.758SS**  trans-68.599.4161.100000107.9V7V7-G9 PolarHBondContact O-N 3.26Å
10E36.5Very low47.2Very low170 Ų170143.1 Ų143.179%0.79475%0.752SS**  trans-115.2115.8172-75.4-171145.100110.2G8G8-E10 PolarHBondContact O-N 2.96Å
11T35.5Very low49.5Very low129 Ų129137 Ų13779%0.79172%0.72SS**  trans79.983.5160.267.40000116.2E13T11-E13 PolarHBondContact O-N 3.32Å
12M36.5Very low52.3Low185 Ų185129.9 Ų129.991%0.91169%0.689SS**  trans-43.8123.5136.8-92.9168.757.800107.6R14M12-R14 PolarHBondContact O-N 3.01Å
13E39.2Very low55.4Low180 Ų180126.9 Ų126.984%0.84168%0.679SS**  trans-46103.7177.3-67.4-179.9163.700109.4T11 G15T11-E13 PolarHBondContact O-N 3.32Å; E13-G15 PolarHBondContact O-N 3.37Å
14R41.8Very low58.3Low231 Ų231126 Ų12687%0.87267%0.671SS**  trans-59.397159.8177.6-179.173.2-141.32.4103.9M12 E16M12-R14 PolarHBondContact O-N 3.01Å; R14-E16 PolarHBondContact O-N 2.83Å; R14-E16 VanDerWaalsContact O-N 3.11Å
15G46.8Very low60.9Low34 Ų34121.3 Ų121.335%0.35164%0.638SS.*  trans-37.1120.4-171.400000110E13 R17 W162E13-G15 PolarHBondContact O-N 3.37Å; G15-R17 PolarHBondContact O-N 2.71Å; G15-W162 WeakPolarHBondContact O-CH2 3.47Å; G15-W162 WeakPolarHBondContact O-CZ3 3.2Å
16E53Low63.4Low181 Ų181112.3 Ų112.385%0.84660%0.604SS**PPolyproline II helixtrans-51.3118.9-173.1-70.5177.7148.600108R14 A18R14-E16 PolarHBondContact O-N 2.83Å; R14-E16 VanDerWaalsContact O-N 3.11Å; E16-A18 PolarHBondContact O-N 2.74Å
17R64.2Low66.2Low204 Ų204110.6 Ų110.677%0.7759%0.592SS**PPolyproline II helixtrans-51.2121.1175.2177.7-177.3-176.7173.72.3106.5G15 E19G15-R17 PolarHBondContact O-N 2.71Å; R17-E19 PolarHBondContact O-N 2.89Å; R17-E19 VanDerWaalsContact O-N 3.17Å
18A69.6Low68.8Low25 Ų25106.4 Ų106.421%0.20756%0.564CS.*PPolyproline II helixtrans-49.9127.2177.900000109.3E16 W162E16-A18 PolarHBondContact O-N 2.74Å; A18-W162 HydrophobicContact CB-CB 4.32Å
19E78.6Confident71.9Confident133 Ų133103.1 Ų103.162%0.62153%0.53SS*.PPolyproline II helixtrans-58.6131.1179.4-69.4-172.316500109.3R17 L21 K155R17-E19 PolarHBondContact O-N 2.89Å; R17-E19 VanDerWaalsContact O-N 3.17Å; E19-L21 PolarHBondContact O-N 3.01Å; E19-K155 IonicContact OE2-NZ 2.77Å
20P86.5Confident74.5Confident99 Ų99103.1 Ų103.164%0.64351%0.511SS*.PPolyproline II helixtrans-61.4133.4178.2-21.131.9000111.1T22P20-T22 PolarHBondContact O-N 3.29Å
21L94.8Very high77.5Confident14 Ų1499.4 Ų99.47%0.07350%0.497CS..PPolyproline II helixtrans-63.2128.4171.3-66.5165.2000110.1E19 E25 R26 I29 L98 V152 K155 L156E19-L21 PolarHBondContact O-N 3.01Å; L21-E25 HydrophobicContact CB-CB 4.47Å; L21-E25 HydrophobicContact CD2-CB 4.11Å; L21-R26 HydrophobicContact CB-CG 3.94Å; L21-R26 PolarHBondContact O-NE 3.14Å; L21-R26 PolarHBondContact O-NH2 2.98Å; L21-I29 HydrophobicContact CD1-CD1 3.6Å; L21-I29 HydrophobicContact CD2-CD1 3.87Å; L21-I29 HydrophobicContact CG-CD1 4.35Å; L21-L98 HydrophobicContact CD1-CD1 4.5Å; L21-L98 HydrophobicContact CD1-CD2 3.98Å; L21-V152 HydrophobicContact CD2-CG1 4.41Å; L21-K155 HydrophobicContact CD2-CB 3.87Å; L21-L156 HydrophobicContact CD1-CB 4.31Å; L21-L156 HydrophobicContact CD1-CD1 4.12Å
22T96.9Very high80.5Confident73 Ų7393.9 Ų93.945%0.44846%0.463SS..PPolyproline II helixtrans-71161.7170.5630000111.1P20 E25 R26P20-T22 PolarHBondContact O-N 3.29Å; T22-E25 WeakPolarHBondContact CB-OE2 3.32Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.4Å; T22-E25 PolarHBondContact N-OE2 2.82Å; T22-E25 WeakPolarHBondContact O-CB 3.25Å; T22-E25 PolarHBondContact O-N 3.4Å; T22-E25 VanDerWaalsContact O-N 3.16Å; T22-E25 WeakPolarHBondContact OG1-CB 3.38Å; T22-E25 VanDerWaalsContact OG1-CD 3.23Å; T22-E25 WeakPolarHBondContact OG1-CG 3.28Å; T22-E25 PolarHBondContact OG1-N 3.17Å; T22-E25 PolarHBondContact OG1-OE2 3.29Å; T22-R26 WeakPolarHBondContact O-CG 3.41Å; T22-R26 PolarHBondContact O-N 2.98Å
23D96.8Very high83.4Confident113 Ų11385.4 Ų85.460%0.60442%0.421SS*.Hα-helixtrans-59.5-42179.8-63.9-32.8000113.5E25 R26 E27D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 PolarHBondContact O-N 3.25Å; D23-R26 PolarHBondContact O-N 3.16Å; D23-R26 IonicContact OD1-CZ 3.43Å; D23-R26 IonicContact OD1-NE 3.16Å; D23-R26 IonicContact OD1-NH1 2.81Å; D23-R26 PolarHBondContact OD1-NH1 3.47Å; D23-E27 PolarHBondContact O-N 3.12Å
24P97.8Very high86.2Confident82 Ų8280.4 Ų80.453%0.53240%0.402SS..Hα-helixtrans-61.6-38.7173.3-24.135000113.3R26 E27 I28P24-R26 VanDerWaalsContact C-N 3.34Å; P24-R26 PolarHBondContact O-N 3.02Å; P24-E27 PolarHBondContact O-N 3.06Å; P24-I28 WeakPolarHBondContact O-CG1 3.37Å; P24-I28 PolarHBondContact O-N 3.12Å
25E98.3Very high88.8Confident25 Ų2571.9 Ų71.912%0.11737%0.372CS..Hα-helixtrans-64.9-38.4176.8-75171.114300111.8L21 T22 D23 I28 I29 V152 K155L21-E25 HydrophobicContact CB-CB 4.47Å; L21-E25 HydrophobicContact CD2-CB 4.11Å; T22-E25 WeakPolarHBondContact CB-OE2 3.32Å; T22-E25 WeakPolarHBondContact CG2-OE2 3.4Å; T22-E25 PolarHBondContact N-OE2 2.82Å; T22-E25 WeakPolarHBondContact O-CB 3.25Å; T22-E25 PolarHBondContact O-N 3.4Å; T22-E25 VanDerWaalsContact O-N 3.16Å; T22-E25 WeakPolarHBondContact OG1-CB 3.38Å; T22-E25 VanDerWaalsContact OG1-CD 3.23Å; T22-E25 WeakPolarHBondContact OG1-CG 3.28Å; T22-E25 PolarHBondContact OG1-N 3.17Å; T22-E25 PolarHBondContact OG1-OE2 3.29Å; D23-E25 VanDerWaalsContact C-N 3.34Å; D23-E25 PolarHBondContact O-N 3.25Å; E25-I28 PolarHBondContact O-N 2.72Å; E25-I29 WeakPolarHBondContact O-CD1 3.17Å; E25-I29 WeakPolarHBondContact O-CG1 3.49Å; E25-I29 PolarHBondContact O-N 3.01Å; E25-V152 HydrophobicContact CB-CG1 3.67Å; E25-V152 HydrophobicContact CG-CG1 3.96Å; E25-V152 HydrophobicContact CG-CG2 3.94Å; E25-V152 WeakPolarHBondContact O-CG1 3.44Å; E25-K155 WeakPolarHBondContact OE1-CD 3.09Å; E25-K155 WeakPolarHBondContact OE1-CE 3.41Å; E25-K155 IonicContact OE1-NZ 3.75Å; E25-K155 PolarHBondContact OE1-NZ 3.4Å
26R98.4Very high91.2Very high56 Ų5670.2 Ų70.221%0.21136%0.356CS..Hα-helixtrans-63.7-42.9174.7-64.4170-163.9176-7.6111.5L21 T22 D23 P24 I29 Q30 L98L21-R26 HydrophobicContact CB-CG 3.94Å; L21-R26 PolarHBondContact O-NE 3.14Å; L21-R26 PolarHBondContact O-NH2 2.98Å; T22-R26 WeakPolarHBondContact O-CG 3.41Å; T22-R26 PolarHBondContact O-N 2.98Å; D23-R26 PolarHBondContact O-N 3.16Å; D23-R26 IonicContact OD1-CZ 3.43Å; D23-R26 IonicContact OD1-NE 3.16Å; D23-R26 IonicContact OD1-NH1 2.81Å; D23-R26 PolarHBondContact OD1-NH1 3.47Å; P24-R26 VanDerWaalsContact C-N 3.34Å; P24-R26 PolarHBondContact O-N 3.02Å; R26-I29 PolarHBondContact O-N 2.89Å; R26-Q30 WeakPolarHBondContact O-CG 3.46Å; R26-Q30 PolarHBondContact O-N 3.22Å; R26-L98 HydrophobicContact CB-CB 4.36Å; R26-L98 HydrophobicContact CB-CD1 4.34Å; R26-L98 HydrophobicContact CG-CB 3.99Å; R26-L98 HydrophobicContact CG-CD1 4.39Å
27E98.3Very high93.3Very high116 Ų11665.1 Ų65.154%0.54233%0.329SS..Hα-helixtrans-62.4-43.1176.8-178.5175-167.900111.4D23 P24 I29 Q30 N31D23-E27 PolarHBondContact O-N 3.12Å; P24-E27 PolarHBondContact O-N 3.06Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.05Å; E27-Q30 PolarHBondContact O-N 2.9Å; E27-N31 WeakPolarHBondContact CG-ND2 3.39Å; E27-N31 VanDerWaalsContact O-CB 3.29Å; E27-N31 WeakPolarHBondContact O-CB 3.47Å; E27-N31 VanDerWaalsContact O-CG 3.25Å; E27-N31 PolarHBondContact O-N 2.92Å; E27-N31 PolarHBondContact O-ND2 3.39Å
28I98.6Very high94.8Very high44 Ų4462.2 Ų62.223%0.22632%0.324CS..Hα-helixtrans-56.4-48.3173.8-72.6166.3000111P24 E25 N31 T32 V149 V152P24-I28 WeakPolarHBondContact O-CG1 3.37Å; P24-I28 PolarHBondContact O-N 3.12Å; E25-I28 PolarHBondContact O-N 2.72Å; I28-N31 PolarHBondContact O-N 2.98Å; I28-T32 WeakPolarHBondContact O-CB 3.27Å; I28-T32 WeakPolarHBondContact O-CG2 3.41Å; I28-T32 PolarHBondContact O-N 3.48Å; I28-T32 PolarHBondContact O-OG1 3.3Å; I28-V149 HydrophobicContact CG2-CB 4.41Å; I28-V149 HydrophobicContact CG2-CG1 4.3Å; I28-V149 HydrophobicContact CG2-CG2 3.91Å; I28-V152 HydrophobicContact CD1-CG2 4.31Å; I28-V152 HydrophobicContact CG2-CB 4.36Å; I28-V152 HydrophobicContact CG2-CG1 4.33Å
29I98.6Very high95.9Very high0 Ų065.7 Ų65.70%034%0.339CS..Hα-helixtrans-60.6-48.9179.1-68.2159.5000110.2L21 E25 R26 E27 N31 T32 W33 V95 L98 V152 W153 L156L21-I29 HydrophobicContact CD1-CD1 3.6Å; L21-I29 HydrophobicContact CD2-CD1 3.87Å; L21-I29 HydrophobicContact CG-CD1 4.35Å; E25-I29 WeakPolarHBondContact O-CD1 3.17Å; E25-I29 WeakPolarHBondContact O-CG1 3.49Å; E25-I29 PolarHBondContact O-N 3.01Å; R26-I29 PolarHBondContact O-N 2.89Å; E27-I29 VanDerWaalsContact C-N 3.34Å; E27-I29 PolarHBondContact O-N 3.05Å; I29-N31 PolarHBondContact O-N 3.05Å; I29-T32 PolarHBondContact O-N 3.26Å; I29-T32 PolarHBondContact O-OG1 3.48Å; I29-W33 WeakPolarHBondContact O-CB 3.42Å; I29-W33 PolarHBondContact O-N 3.07Å; I29-V95 HydrophobicContact CG2-CG1 4.01Å; I29-V95 HydrophobicContact CG2-CG2 3.92Å; I29-L98 HydrophobicContact CB-CD1 4.05Å; I29-L98 HydrophobicContact CD1-CD1 4.04Å; I29-L98 HydrophobicContact CG2-CD1 3.8Å; I29-V152 HydrophobicContact CD1-CG1 3.83Å; I29-V152 HydrophobicContact CG1-CG1 3.72Å; I29-W153 HydrophobicContact CG2-CH2 4.01Å; I29-W153 HydrophobicContact CG2-CZ2 3.83Å; I29-L156 HydrophobicContact CD1-CB 3.95Å; I29-L156 HydrophobicContact CD1-CD2 4.14Å; I29-L156 HydrophobicContact CG1-CD2 4.48Å; I29-L156 HydrophobicContact CG2-CD2 3.73Å
30Q98.6Very high96.6Very high71 Ų7160.8 Ų60.833%0.33232%0.319SS..Hα-helixtrans-63.5-43.8-177.5-72.2175.3-23.800111.7R26 E27 T32 W33 V34 V95R26-Q30 WeakPolarHBondContact O-CG 3.46Å; R26-Q30 PolarHBondContact O-N 3.22Å; E27-Q30 PolarHBondContact O-N 2.9Å; Q30-T32 VanDerWaalsContact C-N 3.32Å; Q30-T32 PolarHBondContact O-N 2.77Å; Q30-W33 PolarHBondContact O-N 2.91Å; Q30-V34 PolarHBondContact O-N 3.3Å; Q30-V95 HydrophobicContact CG-CG1 3.88Å; Q30-V95 PolarHBondContact NE2-O 3.49Å
31N98.3Very high97Very high93 Ų9358.3 Ų58.350%0.49730%0.299SS..Hα-helixtrans-69.4-26.2179.7-72.4-19.5000113.7E27 I28 I29 V34E27-N31 WeakPolarHBondContact CG-ND2 3.39Å; E27-N31 VanDerWaalsContact O-CB 3.29Å; E27-N31 WeakPolarHBondContact O-CB 3.47Å; E27-N31 VanDerWaalsContact O-CG 3.25Å; E27-N31 PolarHBondContact O-N 2.92Å; E27-N31 PolarHBondContact O-ND2 3.39Å; I28-N31 PolarHBondContact O-N 2.98Å; I29-N31 PolarHBondContact O-N 3.05Å; N31-V34 WeakPolarHBondContact O-CG2 3.47Å
32T98.3Very high97Very high13 Ų1362 Ų628%0.0832%0.319CS..Hα-helixtrans-90.6-31.4176.951.10000111.7I28 I29 Q30 V34 H35 V149 W153I28-T32 WeakPolarHBondContact O-CB 3.27Å; I28-T32 WeakPolarHBondContact O-CG2 3.41Å; I28-T32 PolarHBondContact O-N 3.48Å; I28-T32 PolarHBondContact O-OG1 3.3Å; I29-T32 PolarHBondContact O-N 3.26Å; I29-T32 PolarHBondContact O-OG1 3.48Å; Q30-T32 VanDerWaalsContact C-N 3.32Å; Q30-T32 PolarHBondContact O-N 2.77Å; T32-V34 VanDerWaalsContact C-N 3.3Å; T32-V34 PolarHBondContact O-N 3.15Å; T32-H35 PolarHBondContact O-N 2.88Å; T32-V149 HydrophobicContact CG2-CG1 3.83Å; T32-V149 HydrophobicContact CG2-CG2 4.3Å; T32-W153 PolarHBondContact OG1-NE1 3.03Å
33W98.5Very high97.1Very high6 Ų659 Ų592%0.02330%0.3CS..Hα-helixtrans-62.9-33177.8-179.1-113000113.4I29 Q30 H35 V36 Y37 M88 I91 N92 V95 F137 W153I29-W33 WeakPolarHBondContact O-CB 3.42Å; I29-W33 PolarHBondContact O-N 3.07Å; Q30-W33 PolarHBondContact O-N 2.91Å; W33-H35 PolarHBondContact O-N 3.2Å; W33-V36 HydrophobicContact CE3-CB 3.82Å; W33-V36 HydrophobicContact CE3-CG1 3.83Å; W33-V36 HydrophobicContact CE3-CG2 4.42Å; W33-V36 HydrophobicContact CH2-CG1 4.31Å; W33-V36 HydrophobicContact CZ3-CB 4.12Å; W33-V36 HydrophobicContact CZ3-CG1 3.58Å; W33-V36 PolarHBondContact O-N 2.97Å; W33-V36 VanDerWaalsContact O-N 3.1Å; W33-Y37 AromaticContact CE2-CD2 3.81Å; W33-Y37 HydrophobicContact CH2-CD2 4.5Å; W33-Y37 AromaticContact CZ2-CD2 3.56Å; W33-Y37 HydrophobicContact CZ2-CD2 3.56Å; W33-Y37 HydrophobicContact CZ2-CE2 4.24Å; W33-Y37 HydrophobicContact CZ2-CG 4.36Å; W33-Y37 AromaticContact NE1-CD2 3.79Å; W33-Y37 AromaticContact NE1-CG 3.81Å; W33-Y37 WeakPolarHBondContact O-CB 3.38Å; W33-Y37 PolarHBondContact O-N 3.29Å; W33-M88 HydrophobicContact CH2-CE 3.56Å; W33-M88 HydrophobicContact CH2-SD 4.25Å; W33-M88 HydrophobicContact CZ2-CE 4.45Å; W33-M88 HydrophobicContact CZ3-CE 4.03Å; W33-I91 HydrophobicContact CE3-CG2 4.47Å; W33-I91 HydrophobicContact CH2-CB 3.85Å; W33-I91 HydrophobicContact CH2-CG2 3.45Å; W33-I91 VanDerWaalsContact CH2-CG2 3.45Å; W33-I91 HydrophobicContact CZ2-CB 4.12Å; W33-I91 HydrophobicContact CZ2-CG2 3.84Å; W33-I91 HydrophobicContact CZ3-CG2 3.82Å; W33-N92 HydrophobicContact CZ2-CB 4.02Å; W33-N92 PolarHBondContact NE1-OD1 2.98Å; W33-V95 HydrophobicContact CB-CG1 3.84Å; W33-V95 HydrophobicContact CD2-CG2 4.19Å; W33-V95 HydrophobicContact CG-CB 4.21Å; W33-V95 HydrophobicContact CG-CG1 3.78Å; W33-V95 HydrophobicContact CG-CG2 4.09Å; W33-F137 HydrophobicContact CZ3-CE2 4.04Å; W33-F137 AromaticContact CZ3-CZ 3.88Å; W33-F137 HydrophobicContact CZ3-CZ 3.88Å; W33-W153 HydrophobicContact CB-CH2 4.12Å; W33-W153 HydrophobicContact CB-CZ2 3.97Å; W33-W153 HydrophobicContact CD2-CH2 4.03Å; W33-W153 AromaticContact CE3-CH2 3.32Å; W33-W153 HydrophobicContact CE3-CH2 3.32Å; W33-W153 HydrophobicContact CE3-CZ2 4.05Å; W33-W153 HydrophobicContact CE3-CZ3 4.17Å; W33-W153 HydrophobicContact CG-CH2 4.39Å; W33-W153 AromaticContact CZ3-CH2 3.99Å; W33-W153 HydrophobicContact CZ3-CH2 3.99Å; W33-W153 HydrophobicContact CZ3-CZ3 4.42Å
34V97.9Very high97.2Very high75 Ų7553.6 Ų53.646%0.45527%0.272SS..Hα-helixtrans-55.7-39.4178.1-66.20000112.1Q30 N31 T32 Y37 E38Q30-V34 PolarHBondContact O-N 3.3Å; N31-V34 WeakPolarHBondContact O-CG2 3.47Å; T32-V34 VanDerWaalsContact C-N 3.3Å; T32-V34 PolarHBondContact O-N 3.15Å; V34-Y37 PolarHBondContact O-N 3.04Å; V34-E38 WeakPolarHBondContact O-CG 3.5Å; V34-E38 PolarHBondContact O-N 2.91Å; V34-E38 VanDerWaalsContact O-N 3.08Å
35H97.2Very high97.2Very high52 Ų5249.9 Ų49.924%0.24125%0.248CC..Hα-helixtrans-68.7-39178.2-61.1-54.9000112.4T32 W33 F141 F144T32-H35 PolarHBondContact O-N 2.88Å; W33-H35 PolarHBondContact O-N 3.2Å; H35-F141 HydrophobicContact CB-CD1 4.41Å; H35-F141 WeakPolarHBondContact O-CE1 3.41Å; H35-F144 HydrophobicContact CB-CD2 4Å; H35-F144 HydrophobicContact CB-CE2 4.16Å; H35-F144 HydrophobicContact CB-CG 4.44Å; H35-F144 AromaticContact CD2-CD1 3.38Å; H35-F144 WeakPolarHBondContact CD2-CD1 3.39Å; H35-F144 AromaticContact CD2-CD2 3.86Å; H35-F144 AromaticContact CD2-CE1 3.52Å; H35-F144 AromaticContact CD2-CE2 4Å; H35-F144 AromaticContact CD2-CG 3.57Å; H35-F144 AromaticContact CD2-CZ 3.84Å; H35-F144 AromaticContact CE1-CE1 3.72Å; H35-F144 AromaticContact CE1-CZ 3.74Å; H35-F144 AromaticContact CG-CD2 3.88Å; H35-F144 AromaticContact CG-CE2 3.8Å; H35-F144 AromaticContact CG-CZ 3.91Å; H35-F144 AromaticContact ND1-CZ 3.85Å; H35-F144 AromaticContact NE2-CD1 3.55Å; H35-F144 AromaticContact NE2-CE1 3.28Å; H35-F144 VanDerWaalsContact NE2-CE1 3.28Å; H35-F144 WeakPolarHBondContact NE2-CE1 3.35Å; H35-F144 AromaticContact NE2-CZ 3.75Å
36V97.3Very high97.2Very high0 Ų050.4 Ų50.40%025%0.254CS..Hα-helixtrans-66.6-40.6175179.10000110.9W33 V43 M88 F137 F141 F145W33-V36 HydrophobicContact CE3-CB 3.82Å; W33-V36 HydrophobicContact CE3-CG1 3.83Å; W33-V36 HydrophobicContact CE3-CG2 4.42Å; W33-V36 HydrophobicContact CH2-CG1 4.31Å; W33-V36 HydrophobicContact CZ3-CB 4.12Å; W33-V36 HydrophobicContact CZ3-CG1 3.58Å; W33-V36 PolarHBondContact O-N 2.97Å; W33-V36 VanDerWaalsContact O-N 3.1Å; V36-V43 HydrophobicContact CG1-CG1 4.02Å; V36-M88 HydrophobicContact CG1-CE 3.77Å; V36-F137 HydrophobicContact CG1-CD1 3.97Å; V36-F137 HydrophobicContact CG1-CE1 3.69Å; V36-F137 HydrophobicContact CG1-CZ 4.02Å; V36-F137 HydrophobicContact CG2-CD1 4.43Å; V36-F137 HydrophobicContact CG2-CG 4.36Å; V36-F141 HydrophobicContact CB-CE2 4.4Å; V36-F141 HydrophobicContact CG1-CE2 4.45Å; V36-F141 HydrophobicContact CG2-CD2 3.95Å; V36-F141 HydrophobicContact CG2-CE2 4.01Å; V36-F141 HydrophobicContact CG2-CG 4.46Å; V36-F145 HydrophobicContact CG2-CE2 3.71Å; V36-F145 HydrophobicContact CG2-CZ 3.95Å
37Y96.4Very high97.2Very high74 Ų7447.8 Ų47.829%0.2924%0.244SC..Hα-helixtrans-80-22.7-171.5-159.8-110.6000113.7W33 V34 N39 C40 N92W33-Y37 AromaticContact CE2-CD2 3.81Å; W33-Y37 HydrophobicContact CH2-CD2 4.5Å; W33-Y37 AromaticContact CZ2-CD2 3.56Å; W33-Y37 HydrophobicContact CZ2-CD2 3.56Å; W33-Y37 HydrophobicContact CZ2-CE2 4.24Å; W33-Y37 HydrophobicContact CZ2-CG 4.36Å; W33-Y37 AromaticContact NE1-CD2 3.79Å; W33-Y37 AromaticContact NE1-CG 3.81Å; W33-Y37 WeakPolarHBondContact O-CB 3.38Å; W33-Y37 PolarHBondContact O-N 3.29Å; V34-Y37 PolarHBondContact O-N 3.04Å; Y37-N39 PolarHBondContact O-N 3.45Å; Y37-C40 HydrophobicContact CD2-CB 3.46Å; Y37-C40 VanDerWaalsContact CD2-CB 3.46Å; Y37-C40 HydrophobicContact CE2-CB 3.68Å; Y37-C40 HydrophobicContact CG-CB 4.08Å; Y37-C40 VanDerWaalsContact O-CB 3.28Å; Y37-C40 WeakPolarHBondContact O-CB 3.42Å; Y37-C40 PolarHBondContact O-N 3.07Å; Y37-C40 VanDerWaalsContact O-N 3.08Å; Y37-N92 HydrophobicContact CD2-CB 4.04Å; Y37-N92 HydrophobicContact CE2-CB 3.54Å
38E95.5Very high97.2Very high142 Ų14242.4 Ų42.466%0.66422%0.219SC*.Hα-helixtrans-50.3-41.3172.9-84.8173.6-169.300112.3V34V34-E38 WeakPolarHBondContact O-CG 3.5Å; V34-E38 PolarHBondContact O-N 2.91Å; V34-E38 VanDerWaalsContact O-N 3.08Å
39N93.2Very high97.2Very high99 Ų9941.5 Ų41.553%0.52922%0.215SC..THydrogen-bonded Turntrans-116.239.4176.2-65.5-37.5000111.9Y37 E41 D42 V43Y37-N39 PolarHBondContact O-N 3.45Å; N39-E41 VanDerWaalsContact C-N 3.26Å; N39-E41 PolarHBondContact O-N 2.72Å; N39-E41 VanDerWaalsContact O-N 3.08Å; N39-D42 PolarHBondContact O-N 3.38Å; N39-D42 VanDerWaalsContact O-N 3.15Å; N39-V43 WeakPolarHBondContact O-CG2 3.35Å; N39-V43 PolarHBondContact O-N 2.87Å; N39-V43 VanDerWaalsContact O-N 3.1Å
40C93.3Very high97.2Very high30 Ų3044.3 Ų44.320%0.20323%0.225CC..Hα-helixtrans-55.1-34.8-168.361.40000114.9Y37 G44 M88Y37-C40 HydrophobicContact CD2-CB 3.46Å; Y37-C40 VanDerWaalsContact CD2-CB 3.46Å; Y37-C40 HydrophobicContact CE2-CB 3.68Å; Y37-C40 HydrophobicContact CG-CB 4.08Å; Y37-C40 VanDerWaalsContact O-CB 3.28Å; Y37-C40 WeakPolarHBondContact O-CB 3.42Å; Y37-C40 PolarHBondContact O-N 3.07Å; Y37-C40 VanDerWaalsContact O-N 3.08Å; C40-G44 PolarHBondContact O-N 2.86Å; C40-M88 HydrophobicContact CB-CB 4.16Å; C40-M88 HydrophobicContact CB-CE 4.44Å; C40-M88 WeakPolarHBondContact O-CG 3.3Å
41E93.9Very high97.2Very high47 Ų4741.5 Ų41.522%0.2221%0.212CC..Hα-helixtrans-64.4-51.3179.5-177.8176.7161.200111.5N39 G44 V45 R81 R85N39-E41 VanDerWaalsContact C-N 3.26Å; N39-E41 PolarHBondContact O-N 2.72Å; N39-E41 VanDerWaalsContact O-N 3.08Å; E41-G44 PolarHBondContact O-N 3.43Å; E41-V45 VanDerWaalsContact O-CG2 3.31Å; E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 3.25Å; E41-R81 IonicContact OE1-CZ 3.5Å; E41-R81 VanDerWaalsContact OE1-CZ 3.23Å; E41-R81 IonicContact OE1-NE 2.86Å; E41-R81 PolarHBondContact OE1-NE 3.29Å; E41-R81 IonicContact OE1-NH2 2.74Å; E41-R81 PolarHBondContact OE1-NH2 2.82Å; E41-R85 HydrophobicContact CB-CG 4.33Å; E41-R85 HydrophobicContact CG-CG 3.99Å; E41-R85 IonicContact OE1-CZ 3.21Å; E41-R85 IonicContact OE1-NE 3.59Å; E41-R85 IonicContact OE1-NH1 3.09Å; E41-R85 IonicContact OE1-NH2 2.71Å; E41-R85 PolarHBondContact OE1-NH2 2.91Å; E41-R85 IonicContact OE2-CZ 3.06Å; E41-R85 IonicContact OE2-NE 2.71Å; E41-R85 PolarHBondContact OE2-NE 2.84Å; E41-R85 IonicContact OE2-NH2 2.75Å; E41-R85 PolarHBondContact OE2-NH2 3.49Å
42D95.8Very high97.2Very high92 Ų9237.1 Ų37.149%0.49219%0.188SC..Hα-helixtrans-70.6-38.5-175.4-65.4-26.4000111.1N39 G44 V45 S46 R81N39-D42 PolarHBondContact O-N 3.38Å; N39-D42 VanDerWaalsContact O-N 3.15Å; D42-G44 PolarHBondContact O-N 3.22Å; D42-V45 PolarHBondContact O-N 3.43Å; D42-S46 PolarHBondContact O-N 2.99Å; D42-R81 IonicContact OD1-NH2 3.89Å; D42-R81 PolarHBondContact OD1-NH2 3.08Å
43V98.1Very high97.2Very high8 Ų839.7 Ų39.75%0.04820%0.204CC..Hα-helixtrans-61.6-45.1171.4178.30000110.8V36 N39 V45 S46 V47 M88 V136 F137 F141V36-V43 HydrophobicContact CG1-CG1 4.02Å; N39-V43 WeakPolarHBondContact O-CG2 3.35Å; N39-V43 PolarHBondContact O-N 2.87Å; N39-V43 VanDerWaalsContact O-N 3.1Å; V43-V45 VanDerWaalsContact C-N 3.27Å; V43-V45 PolarHBondContact O-N 3.1Å; V43-S46 WeakPolarHBondContact O-CB 3.31Å; V43-S46 PolarHBondContact O-N 3.15Å; V43-V47 HydrophobicContact CG1-CG2 4.46Å; V43-V47 WeakPolarHBondContact O-CG2 3.2Å; V43-V47 PolarHBondContact O-N 3.22Å; V43-M88 HydrophobicContact CB-CE 4.28Å; V43-M88 HydrophobicContact CG1-CE 4.04Å; V43-V136 HydrophobicContact CG1-CG1 4.42Å; V43-F137 HydrophobicContact CG1-CD1 4.02Å; V43-F137 HydrophobicContact CG1-CE1 3.69Å; V43-F141 HydrophobicContact CG1-CE2 4.39Å; V43-F141 HydrophobicContact CG2-CE2 3.84Å; V43-F141 HydrophobicContact CG2-CZ 3.68Å
44G98.4Very high97.2Very high1 Ų143.7 Ų43.71%0.0123%0.226CC..Hα-helixtrans-61.3-36.4177.400000112.7C40 E41 D42 L48 A84C40-G44 PolarHBondContact O-N 2.86Å; E41-G44 PolarHBondContact O-N 3.43Å; D42-G44 PolarHBondContact O-N 3.22Å; G44-L48 WeakPolarHBondContact O-CG 3.37Å; G44-L48 PolarHBondContact O-N 3.08Å; G44-L48 VanDerWaalsContact O-N 3.08Å; G44-A84 VanDerWaalsContact C-CB 3.46Å
45V98.4Very high97.2Very high4 Ų443.5 Ų43.52%0.02422%0.219CC..Hα-helixtrans-67.9-45.5174.3169.60000110.6E41 D42 V43 V47 L48 I49 E75 L80 R81 A84E41-V45 VanDerWaalsContact O-CG2 3.31Å; E41-V45 WeakPolarHBondContact O-CG2 3.47Å; E41-V45 PolarHBondContact O-N 3.25Å; D42-V45 PolarHBondContact O-N 3.43Å; V43-V45 VanDerWaalsContact C-N 3.27Å; V43-V45 PolarHBondContact O-N 3.1Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 3.26Å; V45-L48 PolarHBondContact O-N 3.46Å; V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.2Å; V45-I49 WeakPolarHBondContact O-CB 3.21Å; V45-I49 WeakPolarHBondContact O-CG1 3.28Å; V45-I49 PolarHBondContact O-N 2.9Å; V45-E75 HydrophobicContact CG1-CG 3.7Å; V45-L80 HydrophobicContact CB-CD2 4.39Å; V45-L80 HydrophobicContact CG1-CD2 4Å; V45-L80 HydrophobicContact CG2-CD2 4.11Å; V45-R81 HydrophobicContact CG2-CB 4.42Å; V45-R81 HydrophobicContact CG2-CG 3.97Å; V45-A84 HydrophobicContact CG2-CB 3.81Å
46S98.3Very high97.2Very high36 Ų3644.3 Ų44.325%0.25223%0.229SC..Hα-helixtrans-55.2-48.1175-178.40000111.7D42 V43 L48 I49 R50D42-S46 PolarHBondContact O-N 2.99Å; V43-S46 WeakPolarHBondContact O-CB 3.31Å; V43-S46 PolarHBondContact O-N 3.15Å; S46-L48 PolarHBondContact O-N 3.05Å; S46-I49 PolarHBondContact O-N 3.22Å; S46-R50 WeakPolarHBondContact O-CB 3.32Å; S46-R50 PolarHBondContact O-N 2.9Å
47V98.8Very high97.2Very high1 Ų147.6 Ų47.61%0.00625%0.252CS..Hα-helixtrans-55.9-50.6174.41690000111.6V43 V45 R50 F51 L129 V132 M133 V136 F137V43-V47 HydrophobicContact CG1-CG2 4.46Å; V43-V47 WeakPolarHBondContact O-CG2 3.2Å; V43-V47 PolarHBondContact O-N 3.22Å; V45-V47 VanDerWaalsContact C-N 3.35Å; V45-V47 PolarHBondContact O-N 3.26Å; V47-R50 PolarHBondContact O-N 2.93Å; V47-F51 VanDerWaalsContact O-CB 3.28Å; V47-F51 WeakPolarHBondContact O-CB 3.35Å; V47-F51 PolarHBondContact O-N 3.33Å; V47-L129 HydrophobicContact CG1-CD1 3.66Å; V47-V132 HydrophobicContact CG1-CG1 4.36Å; V47-V132 WeakPolarHBondContact O-CG1 3.23Å; V47-M133 HydrophobicContact CG1-CE 4.28Å; V47-M133 HydrophobicContact CG1-CG 3.64Å; V47-M133 HydrophobicContact CG2-CG 4.2Å; V47-V136 HydrophobicContact CG2-CB 3.87Å; V47-V136 HydrophobicContact CG2-CG1 3.79Å; V47-V136 HydrophobicContact CG2-CG2 4.11Å; V47-F137 HydrophobicContact CG2-CE1 4.15Å
48L98.7Very high97.3Very high2 Ų244.1 Ų44.11%0.0124%0.238CC..Hα-helixtrans-69.7-39.5-176.8-73.3-170000112.8G44 V45 S46 F51 F52 L80 H83 A84 L129G44-L48 WeakPolarHBondContact O-CG 3.37Å; G44-L48 PolarHBondContact O-N 3.08Å; G44-L48 VanDerWaalsContact O-N 3.08Å; V45-L48 PolarHBondContact O-N 3.46Å; S46-L48 PolarHBondContact O-N 3.05Å; L48-F51 PolarHBondContact O-N 3.17Å; L48-F52 HydrophobicContact CB-CD2 4.25Å; L48-F52 HydrophobicContact CB-CE2 3.99Å; L48-F52 HydrophobicContact CD1-CE2 4.45Å; L48-F52 HydrophobicContact CD2-CE2 4.25Å; L48-F52 HydrophobicContact CG-CE2 4.46Å; L48-F52 WeakPolarHBondContact O-CD2 3.07Å; L48-F52 WeakPolarHBondContact O-CG 3.41Å; L48-F52 PolarHBondContact O-N 3.31Å; L48-L80 HydrophobicContact CB-CD2 4.28Å; L48-L80 HydrophobicContact CB-CG 4.32Å; L48-L80 HydrophobicContact CD1-CG 4.36Å; L48-H83 HydrophobicContact CD1-CB 4.12Å; L48-A84 HydrophobicContact CD1-CB 3.88Å; L48-L129 HydrophobicContact CD2-CD1 4.09Å
49I98.4Very high97.4Very high26 Ų2637.9 Ų37.913%0.13321%0.209CC..Hα-helixtrans-60.4-50.4175.3-72173.6000109.7V45 S46 F51 F52 V53 P71 E75 L80V45-I49 HydrophobicContact CG1-CD1 3.62Å; V45-I49 HydrophobicContact CG1-CG1 4.2Å; V45-I49 WeakPolarHBondContact O-CB 3.21Å; V45-I49 WeakPolarHBondContact O-CG1 3.28Å; V45-I49 PolarHBondContact O-N 2.9Å; S46-I49 PolarHBondContact O-N 3.22Å; I49-F51 VanDerWaalsContact C-N 3.28Å; I49-F51 PolarHBondContact O-N 3.3Å; I49-F52 PolarHBondContact O-N 2.99Å; I49-V53 HydrophobicContact CG2-CG2 4.15Å; I49-V53 WeakPolarHBondContact O-CB 3.23Å; I49-V53 VanDerWaalsContact O-CG2 3.27Å; I49-V53 WeakPolarHBondContact O-CG2 3.49Å; I49-V53 PolarHBondContact O-N 2.81Å; I49-P71 HydrophobicContact CG2-CB 3.95Å; I49-E75 HydrophobicContact CD1-CB 3.57Å; I49-E75 HydrophobicContact CD1-CG 3.76Å; I49-L80 HydrophobicContact CG1-CD1 4.41Å
50R98.6Very high97.7Very high59 Ų5938.6 Ų38.622%0.22321%0.209CC..Hα-helixtrans-59.5-41.8178.6-172.1172.3-63-169.4-2111.8S46 V47 N54 V132 V136 E139S46-R50 WeakPolarHBondContact O-CB 3.32Å; S46-R50 PolarHBondContact O-N 2.9Å; V47-R50 PolarHBondContact O-N 2.93Å; R50-N54 WeakPolarHBondContact O-CB 3.49Å; R50-N54 PolarHBondContact O-N 3.35Å; R50-V132 HydrophobicContact CB-CG1 3.97Å; R50-V132 HydrophobicContact CG-CG1 4.03Å; R50-V136 HydrophobicContact CB-CG2 4.49Å; R50-E139 IonicContact CZ-OE2 2.68Å; R50-E139 IonicContact NH1-OE1 3.22Å; R50-E139 PolarHBondContact NH1-OE1 3.08Å; R50-E139 VanDerWaalsContact NH1-OE1 3.09Å; R50-E139 IonicContact NH1-OE2 2.71Å; R50-E139 PolarHBondContact NH1-OE2 3.32Å; R50-E139 IonicContact NH2-OE2 2.72Å; R50-E139 PolarHBondContact NH2-OE2 2.69Å
51F98.7Very high97.9Very high11 Ų1139.8 Ų39.85%0.04821%0.21CC..Hα-helixtrans-60.1-49.1175.3172.7-115.3000112.3V47 L48 I49 F55 A58 Y125 I128 L129 V132V47-F51 VanDerWaalsContact O-CB 3.28Å; V47-F51 WeakPolarHBondContact O-CB 3.35Å; V47-F51 PolarHBondContact O-N 3.33Å; L48-F51 PolarHBondContact O-N 3.17Å; I49-F51 VanDerWaalsContact C-N 3.28Å; I49-F51 PolarHBondContact O-N 3.3Å; F51-F55 HydrophobicContact CD2-CD2 4.05Å; F51-F55 HydrophobicContact CE2-CB 4.29Å; F51-F55 HydrophobicContact CE2-CD2 4.36Å; F51-F55 HydrophobicContact CE2-CG 4.5Å; F51-F55 WeakPolarHBondContact O-CA 3.31Å; F51-F55 WeakPolarHBondContact O-CB 3.36Å; F51-F55 WeakPolarHBondContact O-CD2 3.37Å; F51-F55 PolarHBondContact O-N 3.43Å; F51-A58 HydrophobicContact CD1-CB 4.43Å; F51-A58 HydrophobicContact CE1-CB 3.45Å; F51-A58 VanDerWaalsContact CE1-CB 3.45Å; F51-A58 HydrophobicContact CE2-CB 4.31Å; F51-A58 HydrophobicContact CZ-CB 3.37Å; F51-Y125 HydrophobicContact CE2-CD1 4.08Å; F51-Y125 AromaticContact CZ-CD1 3.71Å; F51-Y125 HydrophobicContact CZ-CD1 3.71Å; F51-Y125 HydrophobicContact CZ-CG 4.13Å; F51-I128 HydrophobicContact CD2-CG2 3.82Å; F51-I128 HydrophobicContact CE2-CB 4.1Å; F51-I128 HydrophobicContact CE2-CG2 3.66Å; F51-L129 HydrophobicContact CB-CD1 4.14Å; F51-L129 HydrophobicContact CD1-CD1 4.34Å; F51-L129 HydrophobicContact CD2-CB 4.45Å; F51-L129 HydrophobicContact CD2-CD1 4.44Å; F51-L129 HydrophobicContact CE2-CB 4.45Å; F51-L129 HydrophobicContact CG-CD1 4.05Å; F51-V132 HydrophobicContact CB-CG1 4.25Å; F51-V132 HydrophobicContact CB-CG2 4.48Å; F51-V132 HydrophobicContact CD2-CG2 4.47Å
52F98.6Very high98.1Very high1 Ų138.9 Ų38.90%0.00421%0.205CC..Hα-helixtrans-74.6-29.4-177.6-68-54.2000113.9L48 I49 F55 P56 A58 K59 F62 F65 M74 L80L48-F52 HydrophobicContact CB-CD2 4.25Å; L48-F52 HydrophobicContact CB-CE2 3.99Å; L48-F52 HydrophobicContact CD1-CE2 4.45Å; L48-F52 HydrophobicContact CD2-CE2 4.25Å; L48-F52 HydrophobicContact CG-CE2 4.46Å; L48-F52 WeakPolarHBondContact O-CD2 3.07Å; L48-F52 WeakPolarHBondContact O-CG 3.41Å; L48-F52 PolarHBondContact O-N 3.31Å; I49-F52 PolarHBondContact O-N 2.99Å; F52-F55 CarbonylContact O-C 3.44Å; F52-P56 VanDerWaalsContact O-CA 3.24Å; F52-P56 WeakPolarHBondContact O-CA 3.43Å; F52-A58 HydrophobicContact CD1-CB 3.94Å; F52-A58 HydrophobicContact CE1-CB 3.9Å; F52-K59 HydrophobicContact CB-CD 4.26Å; F52-K59 HydrophobicContact CB-CG 3.83Å; F52-K59 HydrophobicContact CD1-CB 4.4Å; F52-K59 HydrophobicContact CD1-CG 3.6Å; F52-K59 HydrophobicContact CE1-CG 4.45Å; F52-K59 HydrophobicContact CG-CG 3.9Å; F52-F62 AromaticContact CE1-CD2 3.92Å; F52-F62 HydrophobicContact CE1-CD2 3.92Å; F52-F62 AromaticContact CE1-CE2 3.73Å; F52-F62 HydrophobicContact CE1-CE2 3.73Å; F52-F62 AromaticContact CZ-CD2 3.78Å; F52-F62 HydrophobicContact CZ-CD2 3.78Å; F52-F62 AromaticContact CZ-CE2 3.41Å; F52-F62 HydrophobicContact CZ-CE2 3.41Å; F52-F62 VanDerWaalsContact CZ-CE2 3.41Å; F52-F62 AromaticContact CZ-CZ 3.9Å; F52-F62 HydrophobicContact CZ-CZ 3.9Å; F52-F65 HydrophobicContact CD1-CE2 4.26Å; F52-F65 AromaticContact CD2-CE2 3.68Å; F52-F65 HydrophobicContact CD2-CE2 3.68Å; F52-F65 HydrophobicContact CD2-CZ 4.07Å; F52-F65 HydrophobicContact CE1-CE2 4.14Å; F52-F65 HydrophobicContact CE1-CZ 4.4Å; F52-F65 AromaticContact CE2-CE2 3.55Å; F52-F65 HydrophobicContact CE2-CE2 3.55Å; F52-F65 AromaticContact CE2-CZ 3.48Å; F52-F65 HydrophobicContact CE2-CZ 3.48Å; F52-F65 VanDerWaalsContact CE2-CZ 3.48Å; F52-F65 HydrophobicContact CG-CE2 4.06Å; F52-F65 AromaticContact CZ-CE2 3.81Å; F52-F65 HydrophobicContact CZ-CE2 3.81Å; F52-F65 AromaticContact CZ-CZ 3.69Å; F52-F65 HydrophobicContact CZ-CZ 3.69Å; F52-M74 HydrophobicContact CB-SD 4.03Å; F52-L80 HydrophobicContact CD2-CD1 4.01Å; F52-L80 HydrophobicContact CE2-CD1 4.23Å
53V97.9Very high98.1Very high67 Ų6738.6 Ų38.641%0.40621%0.21SC..Hα-helixtrans-67.8-46.6172.7169.10000110.7I49 P71 M74I49-V53 HydrophobicContact CG2-CG2 4.15Å; I49-V53 WeakPolarHBondContact O-CB 3.23Å; I49-V53 VanDerWaalsContact O-CG2 3.27Å; I49-V53 WeakPolarHBondContact O-CG2 3.49Å; I49-V53 PolarHBondContact O-N 2.81Å; V53-P71 HydrophobicContact CG2-CB 4.45Å; V53-P71 HydrophobicContact CG2-CG 3.9Å; V53-M74 HydrophobicContact CG2-CE 3.7Å
54N97.9Very high98Very high90 Ų9043.7 Ų43.748%0.48123%0.234SC..Hα-helixtrans-77.1-26.1-178.4-68.6-13.7000112.6R50R50-N54 WeakPolarHBondContact O-CB 3.49Å; R50-N54 PolarHBondContact O-N 3.35Å
55F97.9Very high97.8Very high71 Ų7143.7 Ų43.731%0.31123%0.233SC..  trans-131.669.2-179.2-55.3-87.6000111.8F51 F52 S57 A58 I128 V132F51-F55 HydrophobicContact CD2-CD2 4.05Å; F51-F55 HydrophobicContact CE2-CB 4.29Å; F51-F55 HydrophobicContact CE2-CD2 4.36Å; F51-F55 HydrophobicContact CE2-CG 4.5Å; F51-F55 WeakPolarHBondContact O-CA 3.31Å; F51-F55 WeakPolarHBondContact O-CB 3.36Å; F51-F55 WeakPolarHBondContact O-CD2 3.37Å; F51-F55 PolarHBondContact O-N 3.43Å; F52-F55 CarbonylContact O-C 3.44Å; F55-S57 PolarHBondContact O-N 2.84Å; F55-A58 VanDerWaalsContact O-CB 3.29Å; F55-A58 WeakPolarHBondContact O-CB 3.35Å; F55-A58 PolarHBondContact O-N 2.99Å; F55-I128 HydrophobicContact CD1-CD1 3.9Å; F55-I128 HydrophobicContact CD1-CG2 4.04Å; F55-I128 HydrophobicContact CD2-CG2 3.38Å; F55-I128 HydrophobicContact CE1-CD1 3.91Å; F55-I128 HydrophobicContact CE1-CG1 4.34Å; F55-I128 HydrophobicContact CE1-CG2 3.85Å; F55-I128 HydrophobicContact CE2-CG2 3.17Å; F55-I128 HydrophobicContact CG-CD1 4.48Å; F55-I128 HydrophobicContact CG-CG2 3.82Å; F55-I128 HydrophobicContact CZ-CG2 3.42Å; F55-I128 VanDerWaalsContact CZ-CG2 3.42Å; F55-V132 HydrophobicContact CE2-CG2 4.41Å
56P97.6Very high97.7Very high70 Ų7047.3 Ų47.346%0.45525%0.25SS..G310 helixtrans-57.8-28.5-174.3-26.935.9000114.5F52 A58 K59F52-P56 VanDerWaalsContact O-CA 3.24Å; F52-P56 WeakPolarHBondContact O-CA 3.43Å; P56-A58 PolarHBondContact O-N 3.35Å; P56-A58 VanDerWaalsContact O-N 3.17Å; P56-K59 VanDerWaalsContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CB 3.4Å; P56-K59 WeakPolarHBondContact O-CG 3.48Å; P56-K59 PolarHBondContact O-N 3.32Å
57S97.7Very high97.6Very high68 Ų6852.1 Ų52.148%0.47627%0.273SS..G310 helixtrans-60.4-23.6176.458.70000113.2F55 K59 Q60 Y125F55-S57 PolarHBondContact O-N 2.84Å; S57-K59 PolarHBondContact O-N 2.9Å; S57-Q60 VanDerWaalsContact O-CG 3.25Å; S57-Q60 WeakPolarHBondContact O-CG 3.35Å; S57-Q60 PolarHBondContact O-N 3.34Å; S57-Q60 PolarHBondContact O-NE2 2.82Å; S57-Y125 VanDerWaalsContact CB-OH 3.32Å; S57-Y125 WeakPolarHBondContact CB-OH 3.44Å; S57-Y125 PolarHBondContact O-OH 3.17Å; S57-Y125 PolarHBondContact OG-OH 3.43Å
58A97.8Very high97.5Very high1 Ų153.7 Ų53.71%0.00828%0.281CS..G310 helixtrans-69.4-19.9175.200000113F51 F52 F55 P56 Q60 Y61 Y125F51-A58 HydrophobicContact CD1-CB 4.43Å; F51-A58 HydrophobicContact CE1-CB 3.45Å; F51-A58 VanDerWaalsContact CE1-CB 3.45Å; F51-A58 HydrophobicContact CE2-CB 4.31Å; F51-A58 HydrophobicContact CZ-CB 3.37Å; F52-A58 HydrophobicContact CD1-CB 3.94Å; F52-A58 HydrophobicContact CE1-CB 3.9Å; F55-A58 VanDerWaalsContact O-CB 3.29Å; F55-A58 WeakPolarHBondContact O-CB 3.35Å; F55-A58 PolarHBondContact O-N 2.99Å; P56-A58 PolarHBondContact O-N 3.35Å; P56-A58 VanDerWaalsContact O-N 3.17Å; A58-Q60 PolarHBondContact O-N 3.31Å; A58-Y61 VanDerWaalsContact O-CD2 3.28Å; A58-Y61 WeakPolarHBondContact O-CD2 3.49Å; A58-Y125 HydrophobicContact CB-CD1 3.75Å; A58-Y125 HydrophobicContact CB-CE1 3.59Å; A58-Y125 HydrophobicContact CB-CG 4.32Å
59K98.3Very high97.3Very high11 Ų1159.9 Ų59.95%0.04831%0.314CS..G310 helixtrans-66.9-19.3179-59.4-174-77.71640112.8F52 P56 S57 Y61 F62 F65 Q66 M68 D69 M74F52-K59 HydrophobicContact CB-CD 4.26Å; F52-K59 HydrophobicContact CB-CG 3.83Å; F52-K59 HydrophobicContact CD1-CB 4.4Å; F52-K59 HydrophobicContact CD1-CG 3.6Å; F52-K59 HydrophobicContact CE1-CG 4.45Å; F52-K59 HydrophobicContact CG-CG 3.9Å; P56-K59 VanDerWaalsContact O-CB 3.3Å; P56-K59 WeakPolarHBondContact O-CB 3.4Å; P56-K59 WeakPolarHBondContact O-CG 3.48Å; P56-K59 PolarHBondContact O-N 3.32Å; S57-K59 PolarHBondContact O-N 2.9Å; K59-Y61 PolarHBondContact O-N 3.46Å; K59-F62 PolarHBondContact O-N 2.86Å; K59-F65 HydrophobicContact CG-CD2 4.43Å; K59-F65 HydrophobicContact CG-CE2 4.31Å; K59-Q66 PolarHBondContact NZ-O 2.87Å; K59-Q66 WeakPolarHBondContact O-CB 3.41Å; K59-M68 PolarHBondContact NZ-O 3.26Å; K59-D69 IonicContact NZ-OD1 2.89Å; K59-D69 PolarHBondContact NZ-OD1 3.13Å; K59-M74 HydrophobicContact CD-SD 4.08Å
60Q98.1Very high97.3Very high114 Ų11462.5 Ų62.553%0.53333%0.328SS..G310 helixtrans-54.9-24-178.575.4-176.1-78.600114.2S57 A58 F62S57-Q60 VanDerWaalsContact O-CG 3.25Å; S57-Q60 WeakPolarHBondContact O-CG 3.35Å; S57-Q60 PolarHBondContact O-N 3.34Å; S57-Q60 PolarHBondContact O-NE2 2.82Å; A58-Q60 PolarHBondContact O-N 3.31Å; Q60-F62 VanDerWaalsContact C-N 3.3Å
61Y97.8Very high97.2Very high56 Ų5662.3 Ų62.322%0.2233%0.334CS..G310 helixtrans-84.5-2.7-179.9-51.9-68.7000113.6A58 K59 K120 V121 E122 Y125A58-Y61 VanDerWaalsContact O-CD2 3.28Å; A58-Y61 WeakPolarHBondContact O-CD2 3.49Å; K59-Y61 PolarHBondContact O-N 3.46Å; Y61-K120 VanDerWaalsContact CE1-O 3.23Å; Y61-K120 WeakPolarHBondContact CE1-O 3.49Å; Y61-V121 HydrophobicContact CD1-CG2 4Å; Y61-V121 HydrophobicContact CD2-CG1 4.3Å; Y61-V121 HydrophobicContact CD2-CG2 4.03Å; Y61-V121 HydrophobicContact CE1-CG2 4.36Å; Y61-V121 HydrophobicContact CE2-CB 4.43Å; Y61-V121 HydrophobicContact CE2-CG1 4.06Å; Y61-V121 HydrophobicContact CE2-CG2 4.38Å; Y61-V121 HydrophobicContact CG-CG2 3.83Å; Y61-E122 WeakPolarHBondContact OH-CG 3.38Å; Y61-E122 PolarHBondContact OH-N 3.25Å; Y61-E122 VanDerWaalsContact OH-N 3.16Å; Y61-Y125 AromaticContact CE2-CD2 3.75Å; Y61-Y125 HydrophobicContact CE2-CD2 3.75Å; Y61-Y125 AromaticContact CE2-CE2 3.54Å; Y61-Y125 HydrophobicContact CE2-CE2 3.54Å
62F97.8Very high97.1Very high28 Ų2867 Ų6712%0.12336%0.357CS..  trans-123.890.3-169.9-64.8-87.3000111.8F52 K59 Q60 Q64 F65 Q66 Q79 H83F52-F62 AromaticContact CE1-CD2 3.92Å; F52-F62 HydrophobicContact CE1-CD2 3.92Å; F52-F62 AromaticContact CE1-CE2 3.73Å; F52-F62 HydrophobicContact CE1-CE2 3.73Å; F52-F62 AromaticContact CZ-CD2 3.78Å; F52-F62 HydrophobicContact CZ-CD2 3.78Å; F52-F62 AromaticContact CZ-CE2 3.41Å; F52-F62 HydrophobicContact CZ-CE2 3.41Å; F52-F62 VanDerWaalsContact CZ-CE2 3.41Å; F52-F62 AromaticContact CZ-CZ 3.9Å; F52-F62 HydrophobicContact CZ-CZ 3.9Å; K59-F62 PolarHBondContact O-N 2.86Å; Q60-F62 VanDerWaalsContact C-N 3.3Å; F62-Q64 PolarHBondContact O-N 3.04Å; F62-F65 HydrophobicContact CB-CD1 3.77Å; F62-F65 HydrophobicContact CB-CD2 4.16Å; F62-F65 HydrophobicContact CB-CE1 3.32Å; F62-F65 HydrophobicContact CB-CE2 3.72Å; F62-F65 HydrophobicContact CB-CG 4.17Å; F62-F65 HydrophobicContact CB-CZ 3.28Å; F62-F65 AromaticContact CD1-CE1 3.46Å; F62-F65 HydrophobicContact CD1-CE1 3.46Å; F62-F65 VanDerWaalsContact CD1-CE1 3.46Å; F62-F65 AromaticContact CD1-CZ 3.47Å; F62-F65 HydrophobicContact CD1-CZ 3.47Å; F62-F65 VanDerWaalsContact CD1-CZ 3.47Å; F62-F65 HydrophobicContact CD2-CE1 4.39Å; F62-F65 HydrophobicContact CD2-CE2 4.12Å; F62-F65 AromaticContact CD2-CZ 3.65Å; F62-F65 HydrophobicContact CD2-CZ 3.65Å; F62-F65 HydrophobicContact CE1-CE1 4.35Å; F62-F65 HydrophobicContact CE1-CZ 4.16Å; F62-F65 HydrophobicContact CE2-CZ 4.32Å; F62-F65 HydrophobicContact CG-CD1 4.41Å; F62-F65 AromaticContact CG-CE1 3.48Å; F62-F65 HydrophobicContact CG-CE1 3.48Å; F62-F65 VanDerWaalsContact CG-CE1 3.48Å; F62-F65 AromaticContact CG-CE2 3.91Å; F62-F65 HydrophobicContact CG-CE2 3.91Å; F62-F65 AromaticContact CG-CZ 3.16Å; F62-F65 HydrophobicContact CG-CZ 3.16Å; F62-F65 PolarHBondContact O-N 3.17Å; F62-F65 VanDerWaalsContact O-N 3.12Å; F62-Q66 WeakPolarHBondContact O-CB 3.48Å; F62-Q66 PolarHBondContact O-N 2.77Å; F62-Q79 HydrophobicContact CD1-CG 4.22Å; F62-H83 HydrophobicContact CE1-CB 4.21Å; F62-H83 AromaticContact CE1-CD2 3.73Å; F62-H83 AromaticContact CE1-CG 3.81Å; F62-H83 AromaticContact CZ-CD2 3.64Å; F62-H83 AromaticContact CZ-NE2 3.75Å
63S95.9Very high97Very high85 Ų8571.6 Ų71.659%0.59438%0.378SS*.THydrogen-bonded Turntrans-57.7-25-171.159.10000116.1Q66S63-Q66 PolarHBondContact O-NE2 3.47Å
64Q96.3Very high96.9Very high116 Ų11668.5 Ų68.554%0.54236%0.359SS..THydrogen-bonded Turntrans-87.4-16.7-177.1-59.1-176.810.800113.6F62 M68 Q79F62-Q64 PolarHBondContact O-N 3.04Å; Q64-M68 WeakPolarHBondContact O-CE 3.3Å; Q64-Q79 HydrophobicContact CB-CB 4Å; Q64-Q79 VanDerWaalsContact CB-OE1 3.32Å; Q64-Q79 HydrophobicContact CG-CB 4.2Å
65F94.9Very high96.8Very high1 Ų168.3 Ų68.30%0.00436%0.355CS..THydrogen-bonded Turntrans-137.110.8-178.668.6-99.5000114.5F52 K59 F62 D67 M68 Q79 L80F52-F65 HydrophobicContact CD1-CE2 4.26Å; F52-F65 AromaticContact CD2-CE2 3.68Å; F52-F65 HydrophobicContact CD2-CE2 3.68Å; F52-F65 HydrophobicContact CD2-CZ 4.07Å; F52-F65 HydrophobicContact CE1-CE2 4.14Å; F52-F65 HydrophobicContact CE1-CZ 4.4Å; F52-F65 AromaticContact CE2-CE2 3.55Å; F52-F65 HydrophobicContact CE2-CE2 3.55Å; F52-F65 AromaticContact CE2-CZ 3.48Å; F52-F65 HydrophobicContact CE2-CZ 3.48Å; F52-F65 VanDerWaalsContact CE2-CZ 3.48Å; F52-F65 HydrophobicContact CG-CE2 4.06Å; F52-F65 AromaticContact CZ-CE2 3.81Å; F52-F65 HydrophobicContact CZ-CE2 3.81Å; F52-F65 AromaticContact CZ-CZ 3.69Å; F52-F65 HydrophobicContact CZ-CZ 3.69Å; K59-F65 HydrophobicContact CG-CD2 4.43Å; K59-F65 HydrophobicContact CG-CE2 4.31Å; F62-F65 HydrophobicContact CB-CD1 3.77Å; F62-F65 HydrophobicContact CB-CD2 4.16Å; F62-F65 HydrophobicContact CB-CE1 3.32Å; F62-F65 HydrophobicContact CB-CE2 3.72Å; F62-F65 HydrophobicContact CB-CG 4.17Å; F62-F65 HydrophobicContact CB-CZ 3.28Å; F62-F65 AromaticContact CD1-CE1 3.46Å; F62-F65 HydrophobicContact CD1-CE1 3.46Å; F62-F65 VanDerWaalsContact CD1-CE1 3.46Å; F62-F65 AromaticContact CD1-CZ 3.47Å; F62-F65 HydrophobicContact CD1-CZ 3.47Å; F62-F65 VanDerWaalsContact CD1-CZ 3.47Å; F62-F65 HydrophobicContact CD2-CE1 4.39Å; F62-F65 HydrophobicContact CD2-CE2 4.12Å; F62-F65 AromaticContact CD2-CZ 3.65Å; F62-F65 HydrophobicContact CD2-CZ 3.65Å; F62-F65 HydrophobicContact CE1-CE1 4.35Å; F62-F65 HydrophobicContact CE1-CZ 4.16Å; F62-F65 HydrophobicContact CE2-CZ 4.32Å; F62-F65 HydrophobicContact CG-CD1 4.41Å; F62-F65 AromaticContact CG-CE1 3.48Å; F62-F65 HydrophobicContact CG-CE1 3.48Å; F62-F65 VanDerWaalsContact CG-CE1 3.48Å; F62-F65 AromaticContact CG-CE2 3.91Å; F62-F65 HydrophobicContact CG-CE2 3.91Å; F62-F65 AromaticContact CG-CZ 3.16Å; F62-F65 HydrophobicContact CG-CZ 3.16Å; F62-F65 PolarHBondContact O-N 3.17Å; F62-F65 VanDerWaalsContact O-N 3.12Å; F65-D67 PolarHBondContact O-N 2.99Å; F65-D67 VanDerWaalsContact O-N 3.12Å; F65-M68 HydrophobicContact CB-CB 4.32Å; F65-M68 HydrophobicContact CB-CE 4.33Å; F65-M68 HydrophobicContact CB-CG 4.05Å; F65-M68 HydrophobicContact CB-SD 3.39Å; F65-M68 WeakPolarHBondContact CB-SD 3.48Å; F65-M68 PolarHBondContact O-N 3.31Å; F65-Q79 HydrophobicContact CD1-CB 4.29Å; F65-Q79 HydrophobicContact CD1-CG 4.36Å; F65-Q79 HydrophobicContact CE1-CB 4.42Å; F65-Q79 HydrophobicContact CE1-CG 4.13Å; F65-L80 HydrophobicContact CD1-CB 4.11Å; F65-L80 HydrophobicContact CE1-CB 3.82Å; F65-L80 HydrophobicContact CE1-CG 4.49Å; F65-L80 HydrophobicContact CE2-CD1 4.34Å; F65-L80 HydrophobicContact CZ-CB 4.31Å; F65-L80 HydrophobicContact CZ-CD1 4.28Å
66Q96.5Very high96.7Very high80 Ų8073.7 Ų73.737%0.37437%0.373SS..THydrogen-bonded Turntrans-53.7-35.7-179.567.8-167.9-52.300113.6K59 F62 S63K59-Q66 PolarHBondContact NZ-O 2.87Å; K59-Q66 WeakPolarHBondContact O-CB 3.41Å; F62-Q66 WeakPolarHBondContact O-CB 3.48Å; F62-Q66 PolarHBondContact O-N 2.77Å; S63-Q66 PolarHBondContact O-NE2 3.47Å
67D96.5Very high96.7Very high136 Ų13670.8 Ų70.873%0.72736%0.355SS*.THydrogen-bonded Turntrans-96.73.3-177.2-52.8-55.7000113.8F65F65-D67 PolarHBondContact O-N 2.99Å; F65-D67 VanDerWaalsContact O-N 3.12Å
68M96.9Very high96.7Very high35 Ų3573 Ų7317%0.17237%0.365CS..  trans-84.3119.3179.4-66.7176.8176.500110.4K59 Q64 F65 E73 M74K59-M68 PolarHBondContact NZ-O 3.26Å; Q64-M68 WeakPolarHBondContact O-CE 3.3Å; F65-M68 HydrophobicContact CB-CB 4.32Å; F65-M68 HydrophobicContact CB-CE 4.33Å; F65-M68 HydrophobicContact CB-CG 4.05Å; F65-M68 HydrophobicContact CB-SD 3.39Å; F65-M68 WeakPolarHBondContact CB-SD 3.48Å; F65-M68 PolarHBondContact O-N 3.31Å; M68-E73 HydrophobicContact CE-CG 4.02Å; M68-E73 HydrophobicContact CG-CG 4.15Å; M68-E73 HydrophobicContact SD-CB 4.49Å; M68-E73 HydrophobicContact SD-CG 3.82Å; M68-M74 HydrophobicContact CB-CG 3.76Å
69D94.5Very high96.7Very high131 Ų13175 Ų7570%0.70138%0.375SS*.  trans-102.1-21.4176.3-67-33.5000113K59 P71K59-D69 IonicContact NZ-OD1 2.89Å; K59-D69 PolarHBondContact NZ-OD1 3.13Å; D69-P71 WeakPolarHBondContact O-CD 3.28Å
70D97.2Very high96.7Very high81 Ų8174.5 Ų74.543%0.43337%0.372SS..  trans-76.9119.7176.7-177.72.5000110.7E72 E73 M74D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.04Å; D70-E72 PolarHBondContact OD1-N 3.11Å; D70-E73 HydrophobicContact CB-CB 3.98Å; D70-E73 PolarHBondContact O-N 3.09Å; D70-M74 PolarHBondContact O-N 3.46Å
71P96.5Very high96.7Very high55 Ų5571.9 Ų71.936%0.35736%0.357SS..Hα-helixtrans-55.5-37174.8-25.736.1000114I49 V53 D69 E73 M74 E75I49-P71 HydrophobicContact CG2-CB 3.95Å; V53-P71 HydrophobicContact CG2-CB 4.45Å; V53-P71 HydrophobicContact CG2-CG 3.9Å; D69-P71 WeakPolarHBondContact O-CD 3.28Å; P71-E73 VanDerWaalsContact C-N 3.31Å; P71-E73 PolarHBondContact O-N 3.37Å; P71-M74 HydrophobicContact CB-CE 4.49Å; P71-M74 PolarHBondContact O-N 3.39Å; P71-E75 PolarHBondContact O-N 3.36Å
72E96.1Very high96.7Very high111 Ų11174.1 Ų74.152%0.51937%0.37SS..Hα-helixtrans-68.4-33.4-180-66.3-169.6-16700112D70 R76D70-E72 VanDerWaalsContact C-N 3.26Å; D70-E72 PolarHBondContact O-N 3.04Å; D70-E72 PolarHBondContact OD1-N 3.11Å; E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 IonicContact OE2-NH2 3.23Å; E72-R76 PolarHBondContact OE2-NH2 3.24Å
73E96.4Very high96.8Very high96 Ų9674.5 Ų74.545%0.44937%0.372SS..Hα-helixtrans-70.1-44.7174.4-166.2-176-178.500110.7M68 D70 P71 E75 R76 S77M68-E73 HydrophobicContact CE-CG 4.02Å; M68-E73 HydrophobicContact CG-CG 4.15Å; M68-E73 HydrophobicContact SD-CB 4.49Å; M68-E73 HydrophobicContact SD-CG 3.82Å; D70-E73 HydrophobicContact CB-CB 3.98Å; D70-E73 PolarHBondContact O-N 3.09Å; P71-E73 VanDerWaalsContact C-N 3.31Å; P71-E73 PolarHBondContact O-N 3.37Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 3.25Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 VanDerWaalsContact O-N 3.16Å; E73-S77 PolarHBondContact O-N 3.31Å
74M96.8Very high96.9Very high2 Ų270.5 Ų70.51%0.0134%0.344CS..Hα-helixtrans-58.2-42.4175.4-75.9-166.6-73.200112F52 V53 K59 M68 D70 P71 R76 S77 L80F52-M74 HydrophobicContact CB-SD 4.03Å; V53-M74 HydrophobicContact CG2-CE 3.7Å; K59-M74 HydrophobicContact CD-SD 4.08Å; M68-M74 HydrophobicContact CB-CG 3.76Å; D70-M74 PolarHBondContact O-N 3.46Å; P71-M74 HydrophobicContact CB-CE 4.49Å; P71-M74 PolarHBondContact O-N 3.39Å; M74-R76 PolarHBondContact O-N 2.84Å; M74-S77 WeakPolarHBondContact O-CB 3.25Å; M74-S77 PolarHBondContact O-N 3.04Å; M74-L80 HydrophobicContact CB-CD1 4.01Å
75E95.9Very high97Very high87 Ų8769.9 Ų69.941%0.40734%0.336SS..Hα-helixtrans-57.9-34.9178.2-163.6-172.3152.600113.1V45 I49 P71 E73 S77 R81V45-E75 HydrophobicContact CG1-CG 3.7Å; I49-E75 HydrophobicContact CD1-CB 3.57Å; I49-E75 HydrophobicContact CD1-CG 3.76Å; P71-E75 PolarHBondContact O-N 3.36Å; E73-E75 VanDerWaalsContact C-N 3.32Å; E73-E75 PolarHBondContact O-N 3.25Å; E75-S77 VanDerWaalsContact C-N 3.32Å; E75-R81 WeakPolarHBondContact O-CD 3.46Å; E75-R81 WeakPolarHBondContact O-CG 3.44Å
76R95.9Very high97.1Very high183 Ų18377.1 Ų77.169%0.69136%0.364SS*.Hα-helixtrans-83.6-8.4179.5-63.4174-166.216013112.8E72 E73 M74 V78E72-R76 WeakPolarHBondContact O-CG 3.41Å; E72-R76 IonicContact OE2-NH2 3.23Å; E72-R76 PolarHBondContact OE2-NH2 3.24Å; E73-R76 PolarHBondContact O-N 3.49Å; E73-R76 VanDerWaalsContact O-N 3.16Å; M74-R76 PolarHBondContact O-N 2.84Å; R76-V78 PolarHBondContact O-N 3.32Å
77S97.7Very high97.2Very high9 Ų974.3 Ų74.36%0.06335%0.352CS..  trans-65.7119178.5178.20000111.6E73 M74 E75 Q79 L80 R81E73-S77 PolarHBondContact O-N 3.31Å; M74-S77 WeakPolarHBondContact O-CB 3.25Å; M74-S77 PolarHBondContact O-N 3.04Å; E75-S77 VanDerWaalsContact C-N 3.32Å; S77-Q79 VanDerWaalsContact C-N 3.26Å; S77-Q79 PolarHBondContact O-N 3.43Å; S77-L80 PolarHBondContact O-N 3.06Å; S77-L80 VanDerWaalsContact O-N 3.14Å; S77-L80 PolarHBondContact OG-N 3.22Å; S77-R81 WeakPolarHBondContact O-CG 3.34Å; S77-R81 PolarHBondContact O-N 2.73Å
78V97.4Very high97.3Very high114 Ų11467.9 Ų67.969%0.69132%0.317SS*.Hα-helixtrans-59.1-39.4177.5177.90000111.1R76 H82R76-V78 PolarHBondContact O-N 3.32Å; V78-H82 VanDerWaalsContact O-CB 3.25Å; V78-H82 WeakPolarHBondContact O-CB 3.3Å; V78-H82 PolarHBondContact O-N 3.04Å
79Q98.2Very high97.4Very high45 Ų4568.6 Ų68.621%0.2133%0.326CS..Hα-helixtrans-64.3-42.2177.2-178.6175.761.100111.7F62 Q64 F65 S77 H83F62-Q79 HydrophobicContact CD1-CG 4.22Å; Q64-Q79 HydrophobicContact CB-CB 4Å; Q64-Q79 VanDerWaalsContact CB-OE1 3.32Å; Q64-Q79 HydrophobicContact CG-CB 4.2Å; F65-Q79 HydrophobicContact CD1-CB 4.29Å; F65-Q79 HydrophobicContact CD1-CG 4.36Å; F65-Q79 HydrophobicContact CE1-CB 4.42Å; F65-Q79 HydrophobicContact CE1-CG 4.13Å; S77-Q79 VanDerWaalsContact C-N 3.26Å; S77-Q79 PolarHBondContact O-N 3.43Å; Q79-H83 WeakPolarHBondContact O-CB 3.44Å; Q79-H83 PolarHBondContact O-N 3.4Å
80L98.3Very high97.6Very high0 Ų063.7 Ų63.70%030%0.304CS..Hα-helixtrans-64.4-52.4177.6-173.9150.2000110.8V45 L48 I49 F52 F65 M74 S77 H82 H83 A84V45-L80 HydrophobicContact CB-CD2 4.39Å; V45-L80 HydrophobicContact CG1-CD2 4Å; V45-L80 HydrophobicContact CG2-CD2 4.11Å; L48-L80 HydrophobicContact CB-CD2 4.28Å; L48-L80 HydrophobicContact CB-CG 4.32Å; L48-L80 HydrophobicContact CD1-CG 4.36Å; I49-L80 HydrophobicContact CG1-CD1 4.41Å; F52-L80 HydrophobicContact CD2-CD1 4.01Å; F52-L80 HydrophobicContact CE2-CD1 4.23Å; F65-L80 HydrophobicContact CD1-CB 4.11Å; F65-L80 HydrophobicContact CE1-CB 3.82Å; F65-L80 HydrophobicContact CE1-CG 4.49Å; F65-L80 HydrophobicContact CE2-CD1 4.34Å; F65-L80 HydrophobicContact CZ-CB 4.31Å; F65-L80 HydrophobicContact CZ-CD1 4.28Å; M74-L80 HydrophobicContact CB-CD1 4.01Å; S77-L80 PolarHBondContact O-N 3.06Å; S77-L80 VanDerWaalsContact O-N 3.14Å; S77-L80 PolarHBondContact OG-N 3.22Å; L80-H82 VanDerWaalsContact C-N 3.28Å; L80-H82 PolarHBondContact O-N 3.42Å; L80-H83 CarbonylContact O-C 3.6Å; L80-H83 PolarHBondContact O-N 3.44Å; L80-A84 PolarHBondContact O-N 3.5Å
81R97.8Very high97.6Very high58 Ų5860.5 Ų60.522%0.21929%0.287CS..Hα-helixtrans-60-38.3179.6-63.3-170.777.292.80.5112.3E41 D42 V45 E75 S77 R85E41-R81 IonicContact OE1-CZ 3.5Å; E41-R81 VanDerWaalsContact OE1-CZ 3.23Å; E41-R81 IonicContact OE1-NE 2.86Å; E41-R81 PolarHBondContact OE1-NE 3.29Å; E41-R81 IonicContact OE1-NH2 2.74Å; E41-R81 PolarHBondContact OE1-NH2 2.82Å; D42-R81 IonicContact OD1-NH2 3.89Å; D42-R81 PolarHBondContact OD1-NH2 3.08Å; V45-R81 HydrophobicContact CG2-CB 4.42Å; V45-R81 HydrophobicContact CG2-CG 3.97Å; E75-R81 WeakPolarHBondContact O-CD 3.46Å; E75-R81 WeakPolarHBondContact O-CG 3.44Å; S77-R81 WeakPolarHBondContact O-CG 3.34Å; S77-R81 PolarHBondContact O-N 2.73Å; R81-R85 WeakPolarHBondContact O-CG 3.47Å; R81-R85 PolarHBondContact O-N 2.9Å
82H98.2Very high97.7Very high103 Ų10358.6 Ų58.648%0.47727%0.273SS..Hα-helixtrans-65.5-41.2174.3177.6-98.7000111.9V78 L80 R86V78-H82 VanDerWaalsContact O-CB 3.25Å; V78-H82 WeakPolarHBondContact O-CB 3.3Å; V78-H82 PolarHBondContact O-N 3.04Å; L80-H82 VanDerWaalsContact C-N 3.28Å; L80-H82 PolarHBondContact O-N 3.42Å; H82-R86 VanDerWaalsContact CE1-CD 3.44Å; H82-R86 WeakPolarHBondContact CE1-CD 3.26Å; H82-R86 WeakPolarHBondContact O-CG 3.34Å; H82-R86 PolarHBondContact O-N 3.06Å
83H98.3Very high97.8Very high37 Ų3755.5 Ų55.517%0.17126%0.262CS..Hα-helixtrans-67-41.5176.4-165.960.2000112L48 F62 Q79 L80 R85 R86 V87L48-H83 HydrophobicContact CD1-CB 4.12Å; F62-H83 HydrophobicContact CE1-CB 4.21Å; F62-H83 AromaticContact CE1-CD2 3.73Å; F62-H83 AromaticContact CE1-CG 3.81Å; F62-H83 AromaticContact CZ-CD2 3.64Å; F62-H83 AromaticContact CZ-NE2 3.75Å; Q79-H83 WeakPolarHBondContact O-CB 3.44Å; Q79-H83 PolarHBondContact O-N 3.4Å; L80-H83 CarbonylContact O-C 3.6Å; L80-H83 PolarHBondContact O-N 3.44Å; H83-R85 PolarHBondContact O-N 3.45Å; H83-R86 WeakPolarHBondContact O-CB 3.19Å; H83-R86 PolarHBondContact O-N 3.12Å; H83-V87 WeakPolarHBondContact O-CG2 3.23Å; H83-V87 PolarHBondContact O-N 3.45Å
84A98.5Very high97.9Very high0 Ų051 Ų510%024%0.241CC..Hα-helixtrans-51.9-52.5174.200000111.5G44 V45 L48 L80 R86 V87 M88G44-A84 VanDerWaalsContact C-CB 3.46Å; V45-A84 HydrophobicContact CG2-CB 3.81Å; L48-A84 HydrophobicContact CD1-CB 3.88Å; L80-A84 PolarHBondContact O-N 3.5Å; A84-R86 VanDerWaalsContact C-N 3.29Å; A84-R86 PolarHBondContact O-N 2.7Å; A84-V87 PolarHBondContact O-N 3.16Å; A84-M88 WeakPolarHBondContact O-CG 3.45Å; A84-M88 PolarHBondContact O-N 2.96Å
85R98.2Very high98Very high103 Ų10351.1 Ų51.139%0.38924%0.242SC..Hα-helixtrans-57.5-41.1176.4-68.6-175.1-166.4102.2-11.1112.8E41 R81 H83 S89E41-R85 HydrophobicContact CB-CG 4.33Å; E41-R85 HydrophobicContact CG-CG 3.99Å; E41-R85 IonicContact OE1-CZ 3.21Å; E41-R85 IonicContact OE1-NE 3.59Å; E41-R85 IonicContact OE1-NH1 3.09Å; E41-R85 IonicContact OE1-NH2 2.71Å; E41-R85 PolarHBondContact OE1-NH2 2.91Å; E41-R85 IonicContact OE2-CZ 3.06Å; E41-R85 IonicContact OE2-NE 2.71Å; E41-R85 PolarHBondContact OE2-NE 2.84Å; E41-R85 IonicContact OE2-NH2 2.75Å; E41-R85 PolarHBondContact OE2-NH2 3.49Å; R81-R85 WeakPolarHBondContact O-CG 3.47Å; R81-R85 PolarHBondContact O-N 2.9Å; H83-R85 PolarHBondContact O-N 3.45Å; R85-S89 VanDerWaalsContact O-CB 3.27Å; R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 3.12Å; R85-S89 PolarHBondContact O-OG 3.16Å
86R98.3Very high98.1Very high153 Ų15352.1 Ų52.158%0.57725%0.247SC*.Hα-helixtrans-67-40.4179.7-72.9-173.267.9172.14.9112.4H82 H83 A84 A90H82-R86 VanDerWaalsContact CE1-CD 3.44Å; H82-R86 WeakPolarHBondContact CE1-CD 3.26Å; H82-R86 WeakPolarHBondContact O-CG 3.34Å; H82-R86 PolarHBondContact O-N 3.06Å; H83-R86 WeakPolarHBondContact O-CB 3.19Å; H83-R86 PolarHBondContact O-N 3.12Å; A84-R86 VanDerWaalsContact C-N 3.29Å; A84-R86 PolarHBondContact O-N 2.7Å; R86-A90 WeakPolarHBondContact O-CB 3.26Å; R86-A90 PolarHBondContact O-N 2.94Å
87V98.3Very high98.2Very high21 Ų2145.1 Ų45.113%0.12722%0.223CC..Hα-helixtrans-61.2-53.5175.3169.20000109.6H83 A84 S89 A90 I91 M133H83-V87 WeakPolarHBondContact O-CG2 3.23Å; H83-V87 PolarHBondContact O-N 3.45Å; A84-V87 PolarHBondContact O-N 3.16Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 3.02Å; V87-A90 PolarHBondContact O-N 3.42Å; V87-A90 VanDerWaalsContact O-N 3.13Å; V87-I91 WeakPolarHBondContact O-CG1 3.14Å; V87-I91 PolarHBondContact O-N 3.47Å; V87-M133 HydrophobicContact CG1-CE 3.12Å
88M98.5Very high98.2Very high1 Ų145.3 Ų45.31%0.00522%0.223CC..Hα-helixtrans-63.7-36.4-178.7-60.8-59.5-75.600112.5W33 V36 C40 V43 A84 I91 N92 F137W33-M88 HydrophobicContact CH2-CE 3.56Å; W33-M88 HydrophobicContact CH2-SD 4.25Å; W33-M88 HydrophobicContact CZ2-CE 4.45Å; W33-M88 HydrophobicContact CZ3-CE 4.03Å; V36-M88 HydrophobicContact CG1-CE 3.77Å; C40-M88 HydrophobicContact CB-CB 4.16Å; C40-M88 HydrophobicContact CB-CE 4.44Å; C40-M88 WeakPolarHBondContact O-CG 3.3Å; V43-M88 HydrophobicContact CB-CE 4.28Å; V43-M88 HydrophobicContact CG1-CE 4.04Å; A84-M88 WeakPolarHBondContact O-CG 3.45Å; A84-M88 PolarHBondContact O-N 2.96Å; M88-I91 PolarHBondContact O-N 3.14Å; M88-N92 WeakPolarHBondContact O-CB 3.18Å; M88-N92 PolarHBondContact O-N 3.41Å; M88-F137 HydrophobicContact CE-CE1 4.32Å; M88-F137 HydrophobicContact CE-CZ 4.36Å
89S98.2Very high98.1Very high51 Ų5145.7 Ų45.736%0.35722%0.217SC..Hα-helixtrans-67.5-36.4175.1-58.50000113R85 V87 N92 T93R85-S89 VanDerWaalsContact O-CB 3.27Å; R85-S89 WeakPolarHBondContact O-CB 3.47Å; R85-S89 PolarHBondContact O-N 3.12Å; R85-S89 PolarHBondContact O-OG 3.16Å; V87-S89 VanDerWaalsContact C-N 3.32Å; V87-S89 PolarHBondContact O-N 3.02Å; S89-N92 PolarHBondContact O-N 2.99Å; S89-T93 PolarHBondContact O-N 3.08Å; S89-T93 PolarHBondContact O-OG1 3.36Å
90A98.1Very high98Very high27 Ų2746.6 Ų46.622%0.22322%0.223CC..Hα-helixtrans-67.3-44.1176.100000111.1R86 V87 T93 V94 V111R86-A90 WeakPolarHBondContact O-CB 3.26Å; R86-A90 PolarHBondContact O-N 2.94Å; V87-A90 PolarHBondContact O-N 3.42Å; V87-A90 VanDerWaalsContact O-N 3.13Å; A90-T93 PolarHBondContact O-N 3.1Å; A90-V94 WeakPolarHBondContact O-CG2 3.43Å; A90-V94 PolarHBondContact O-N 3.24Å; A90-V94 VanDerWaalsContact O-N 3.09Å; A90-V111 HydrophobicContact CB-CG2 4.43Å
91I98.4Very high97.9Very high15 Ų1550.6 Ų50.68%0.07725%0.249CC..Hα-helixtrans-63.1-42.6173.8-60.1-57.4000110.8W33 V87 M88 T93 V94 V95 M133W33-I91 HydrophobicContact CE3-CG2 4.47Å; W33-I91 HydrophobicContact CH2-CB 3.85Å; W33-I91 HydrophobicContact CH2-CG2 3.45Å; W33-I91 VanDerWaalsContact CH2-CG2 3.45Å; W33-I91 HydrophobicContact CZ2-CB 4.12Å; W33-I91 HydrophobicContact CZ2-CG2 3.84Å; W33-I91 HydrophobicContact CZ3-CG2 3.82Å; V87-I91 WeakPolarHBondContact O-CG1 3.14Å; V87-I91 PolarHBondContact O-N 3.47Å; M88-I91 PolarHBondContact O-N 3.14Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 3.31Å; I91-V94 WeakPolarHBondContact O-CA 3.37Å; I91-V94 WeakPolarHBondContact O-CB 3.45Å; I91-V94 PolarHBondContact O-N 3.35Å; I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 3.25Å; I91-M133 HydrophobicContact CG1-CE 4.25Å; I91-M133 HydrophobicContact CG1-SD 4.49Å
92N98.7Very high97.8Very high15 Ų1555 Ų558%0.0827%0.273CS..Hα-helixtrans-56-46.9175.1-172.667.5000111.9W33 Y37 M88 S89 V94 V95 E96W33-N92 HydrophobicContact CZ2-CB 4.02Å; W33-N92 PolarHBondContact NE1-OD1 2.98Å; Y37-N92 HydrophobicContact CD2-CB 4.04Å; Y37-N92 HydrophobicContact CE2-CB 3.54Å; M88-N92 WeakPolarHBondContact O-CB 3.18Å; M88-N92 PolarHBondContact O-N 3.41Å; S89-N92 PolarHBondContact O-N 2.99Å; N92-V94 VanDerWaalsContact C-N 3.26Å; N92-V94 PolarHBondContact O-N 3.47Å; N92-V95 PolarHBondContact O-N 2.93Å; N92-E96 PolarHBondContact ND2-OE1 2.82Å; N92-E96 WeakPolarHBondContact O-CB 3.2Å; N92-E96 WeakPolarHBondContact O-CG 3.38Å; N92-E96 PolarHBondContact O-N 2.98Å
93T98.5Very high97.7Very high46 Ų4654.2 Ų54.228%0.28227%0.267SS..Hα-helixtrans-60-38.6177.4-53.20000111.3S89 A90 I91 N97 V107S89-T93 PolarHBondContact O-N 3.08Å; S89-T93 PolarHBondContact O-OG1 3.36Å; A90-T93 PolarHBondContact O-N 3.1Å; I91-T93 VanDerWaalsContact C-N 3.31Å; I91-T93 PolarHBondContact O-N 3.31Å; T93-N97 WeakPolarHBondContact O-CB 3.37Å; T93-N97 PolarHBondContact O-N 3.36Å; T93-N97 PolarHBondContact O-ND2 3.44Å; T93-V107 HydrophobicContact CG2-CG1 4.41Å; T93-V107 HydrophobicContact CG2-CG2 3.83Å
94V98.4Very high97.7Very high2 Ų252.9 Ų52.91%0.01226%0.262CS..Hα-helixtrans-65.4-48.7175.1170.80000110.9A90 I91 N92 E96 N97 L98 V104 V107 L108 L156A90-V94 WeakPolarHBondContact O-CG2 3.43Å; A90-V94 PolarHBondContact O-N 3.24Å; A90-V94 VanDerWaalsContact O-N 3.09Å; I91-V94 WeakPolarHBondContact O-CA 3.37Å; I91-V94 WeakPolarHBondContact O-CB 3.45Å; I91-V94 PolarHBondContact O-N 3.35Å; N92-V94 VanDerWaalsContact C-N 3.26Å; N92-V94 PolarHBondContact O-N 3.47Å; V94-E96 PolarHBondContact O-N 2.87Å; V94-N97 CarbonylContact O-C 3.43Å; V94-N97 PolarHBondContact O-N 3.42Å; V94-N97 VanDerWaalsContact O-N 3.11Å; V94-L98 HydrophobicContact CG1-CD2 4.13Å; V94-L98 WeakPolarHBondContact O-CG 3.28Å; V94-L98 PolarHBondContact O-N 2.83Å; V94-L98 VanDerWaalsContact O-N 3.13Å; V94-V104 HydrophobicContact CG1-CG1 4.1Å; V94-V104 HydrophobicContact CG1-CG2 4.43Å; V94-V107 HydrophobicContact CG2-CG1 4.11Å; V94-L108 HydrophobicContact CG2-CD1 4.37Å; V94-L108 HydrophobicContact CG2-CD2 3.96Å; V94-L108 HydrophobicContact CG2-CG 4.02Å; V94-L156 HydrophobicContact CG1-CD1 4.1Å
95V98.4Very high97.6Very high3 Ų354.9 Ų54.92%0.01828%0.276CS..Hα-helixtrans-61.5-43.6-178.3171.80000112.1I29 Q30 W33 I91 N92 N97 L98 W153 L156I29-V95 HydrophobicContact CG2-CG1 4.01Å; I29-V95 HydrophobicContact CG2-CG2 3.92Å; Q30-V95 HydrophobicContact CG-CG1 3.88Å; Q30-V95 PolarHBondContact NE2-O 3.49Å; W33-V95 HydrophobicContact CB-CG1 3.84Å; W33-V95 HydrophobicContact CD2-CG2 4.19Å; W33-V95 HydrophobicContact CG-CB 4.21Å; W33-V95 HydrophobicContact CG-CG1 3.78Å; W33-V95 HydrophobicContact CG-CG2 4.09Å; I91-V95 HydrophobicContact CG2-CG2 4.15Å; I91-V95 WeakPolarHBondContact O-CG2 3.36Å; I91-V95 PolarHBondContact O-N 3.25Å; N92-V95 PolarHBondContact O-N 2.93Å; V95-N97 PolarHBondContact O-N 2.91Å; V95-L98 WeakPolarHBondContact O-CG 3.4Å; V95-W153 HydrophobicContact CG2-CH2 4.32Å; V95-L156 HydrophobicContact CG2-CD2 4.22Å
96E98.1Very high97.6Very high109 Ų10952.9 Ų52.951%0.50928%0.278SS..Hα-helixtrans-63.5-26.9177.1-73.8178.5173.200112.6N92 V94 H99N92-E96 PolarHBondContact ND2-OE1 2.82Å; N92-E96 WeakPolarHBondContact O-CB 3.2Å; N92-E96 WeakPolarHBondContact O-CG 3.38Å; N92-E96 PolarHBondContact O-N 2.98Å; V94-E96 PolarHBondContact O-N 2.87Å; E96-H99 PolarHBondContact O-CE1 3.17Å; E96-H99 VanDerWaalsContact O-CE1 3.31Å; E96-H99 PolarHBondContact O-ND1 3.2Å
97N98.2Very high97.6Very high35 Ų3546.7 Ų46.719%0.18726%0.257CS..THydrogen-bonded Turntrans-112.519.5-172.8-65.1-90.9000113.4T93 V94 V95 H99 D100 K103 V104T93-N97 WeakPolarHBondContact O-CB 3.37Å; T93-N97 PolarHBondContact O-N 3.36Å; T93-N97 PolarHBondContact O-ND2 3.44Å; V94-N97 CarbonylContact O-C 3.43Å; V94-N97 PolarHBondContact O-N 3.42Å; V94-N97 VanDerWaalsContact O-N 3.11Å; V95-N97 PolarHBondContact O-N 2.91Å; N97-H99 PolarHBondContact O-N 3.45Å; N97-D100 CarbonylContact O-C 3.55Å; N97-D100 PolarHBondContact O-N 2.95Å; N97-K103 HydrophobicContact CB-CB 4.23Å; N97-K103 HydrophobicContact CB-CG 3.73Å; N97-V104 HydrophobicContact CB-CG2 4.48Å; N97-V104 VanDerWaalsContact O-CG2 3.27Å; N97-V104 WeakPolarHBondContact O-CG2 3.49Å
98L97.4Very high97.5Very high13 Ų1346 Ų467%0.06825%0.253CS..THydrogen-bonded Turntrans-58.6-19.9179.2-69.8174.2000114.4L21 R26 I29 V94 V95 D100 L156L21-L98 HydrophobicContact CD1-CD1 4.5Å; L21-L98 HydrophobicContact CD1-CD2 3.98Å; R26-L98 HydrophobicContact CB-CB 4.36Å; R26-L98 HydrophobicContact CB-CD1 4.34Å; R26-L98 HydrophobicContact CG-CB 3.99Å; R26-L98 HydrophobicContact CG-CD1 4.39Å; I29-L98 HydrophobicContact CB-CD1 4.05Å; I29-L98 HydrophobicContact CD1-CD1 4.04Å; I29-L98 HydrophobicContact CG2-CD1 3.8Å; V94-L98 HydrophobicContact CG1-CD2 4.13Å; V94-L98 WeakPolarHBondContact O-CG 3.28Å; V94-L98 PolarHBondContact O-N 2.83Å; V94-L98 VanDerWaalsContact O-N 3.13Å; V95-L98 WeakPolarHBondContact O-CG 3.4Å; L98-D100 VanDerWaalsContact C-N 3.32Å; L98-L156 HydrophobicContact CD2-CD1 3.79Å
99H95.3Very high97.5Very high123 Ų12346.9 Ų46.957%0.56926%0.26SS*.THydrogen-bonded Turntrans-78.4-14.7174.664-86000113.5E96 N97 P101E96-H99 PolarHBondContact O-CE1 3.17Å; E96-H99 VanDerWaalsContact O-CE1 3.31Å; E96-H99 PolarHBondContact O-ND1 3.2Å; N97-H99 PolarHBondContact O-N 3.45Å; H99-P101 WeakPolarHBondContact O-CD 3.49Å
100D96.9Very high97.5Very high64 Ų6450.7 Ų50.734%0.34228%0.276SS..  trans-118.493.2-179.3-176.7-14.9000110.3N97 L98 E102 K103 V104N97-D100 CarbonylContact O-C 3.55Å; N97-D100 PolarHBondContact O-N 2.95Å; L98-D100 VanDerWaalsContact C-N 3.32Å; D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.5Å; D100-E102 PolarHBondContact OD1-N 2.87Å; D100-E102 VanDerWaalsContact OD1-N 3.12Å; D100-K103 HydrophobicContact CB-CB 3.85Å; D100-K103 PolarHBondContact O-N 3.42Å; D100-K103 PolarHBondContact OD1-N 2.88Å; D100-K103 WeakPolarHBondContact OD2-CB 3.41Å; D100-V104 WeakPolarHBondContact O-CG2 3.27Å; D100-V104 PolarHBondContact O-N 2.98Å
101P94.2Very high97.5Very high84 Ų8451 Ų5155%0.54528%0.275SS..Hα-helixtrans-61.1-32.8-179.1-24.934.8000114.2H99 S105H99-P101 WeakPolarHBondContact O-CD 3.49Å; P101-S105 VanDerWaalsContact O-CB 3.26Å; P101-S105 WeakPolarHBondContact O-CB 3.44Å; P101-S105 PolarHBondContact O-N 3.47Å
102E96Very high97.5Very high151 Ų15150.3 Ų50.371%0.70627%0.271SS*.Hα-helixtrans-69.6-41.1179.5-65.8-58.5146.100110.2D100 S105 S106D100-E102 VanDerWaalsContact C-N 3.28Å; D100-E102 PolarHBondContact O-N 3.5Å; D100-E102 PolarHBondContact OD1-N 2.87Å; D100-E102 VanDerWaalsContact OD1-N 3.12Å; E102-S105 PolarHBondContact O-N 3.2Å; E102-S106 WeakPolarHBondContact O-CB 3.4Å; E102-S106 PolarHBondContact O-N 3.34Å; E102-S106 PolarHBondContact O-OG 3.46Å
103K97.3Very high97.5Very high85 Ų8553.5 Ų53.537%0.3728%0.284SS..Hα-helixtrans-62.1-49.8173.8-177.360174.6-175.90111.5N97 D100 S105 S106 V107N97-K103 HydrophobicContact CB-CB 4.23Å; N97-K103 HydrophobicContact CB-CG 3.73Å; D100-K103 HydrophobicContact CB-CB 3.85Å; D100-K103 PolarHBondContact O-N 3.42Å; D100-K103 PolarHBondContact OD1-N 2.88Å; D100-K103 WeakPolarHBondContact OD2-CB 3.41Å; K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.34Å; K103-S106 PolarHBondContact O-N 2.86Å; K103-S106 PolarHBondContact O-OG 2.94Å; K103-V107 HydrophobicContact CD-CG2 4.34Å; K103-V107 WeakPolarHBondContact O-CG2 3.15Å; K103-V107 PolarHBondContact O-N 3.5Å
104V97.4Very high97.5Very high10 Ų1053 Ų536%0.06129%0.285CS..Hα-helixtrans-55.5-49.5176.3171.60000111.2V94 N97 D100 S106 V107 L108V94-V104 HydrophobicContact CG1-CG1 4.1Å; V94-V104 HydrophobicContact CG1-CG2 4.43Å; N97-V104 HydrophobicContact CB-CG2 4.48Å; N97-V104 VanDerWaalsContact O-CG2 3.27Å; N97-V104 WeakPolarHBondContact O-CG2 3.49Å; D100-V104 WeakPolarHBondContact O-CG2 3.27Å; D100-V104 PolarHBondContact O-N 2.98Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.06Å; V104-V107 PolarHBondContact O-N 3.1Å; V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 WeakPolarHBondContact O-CG 2.97Å; V104-L108 PolarHBondContact O-N 3.13Å
105S96.4Very high97.5Very high41 Ų4154.6 Ų54.629%0.28729%0.292SS..Hα-helixtrans-57.5-46.4177.9-174.80000111.5P101 E102 K103 V107 L108 A109P101-S105 VanDerWaalsContact O-CB 3.26Å; P101-S105 WeakPolarHBondContact O-CB 3.44Å; P101-S105 PolarHBondContact O-N 3.47Å; E102-S105 PolarHBondContact O-N 3.2Å; K103-S105 VanDerWaalsContact C-N 3.34Å; K103-S105 PolarHBondContact O-N 3.34Å; S105-V107 PolarHBondContact O-N 2.96Å; S105-L108 PolarHBondContact O-N 2.85Å; S105-A109 WeakPolarHBondContact O-CB 3.32Å; S105-A109 PolarHBondContact O-N 3.06Å
106S97.6Very high97.5Very high62 Ų6254.5 Ų54.543%0.43429%0.292SS..Hα-helixtrans-63.1-40.6-179.475.10000113.4E102 K103 V104 L110E102-S106 WeakPolarHBondContact O-CB 3.4Å; E102-S106 PolarHBondContact O-N 3.34Å; E102-S106 PolarHBondContact O-OG 3.46Å; K103-S106 PolarHBondContact O-N 2.86Å; K103-S106 PolarHBondContact O-OG 2.94Å; V104-S106 VanDerWaalsContact C-N 3.34Å; V104-S106 PolarHBondContact O-N 3.06Å; S106-L110 PolarHBondContact O-N 2.86Å; S106-L110 VanDerWaalsContact O-N 3.07Å
107V98.2Very high97.4Very high23 Ų2352.9 Ų52.914%0.13929%0.289CS..Hα-helixtrans-65.2-50.2178.7170.40000109.9T93 V94 K103 V104 S105 A109 L110 V111T93-V107 HydrophobicContact CG2-CG1 4.41Å; T93-V107 HydrophobicContact CG2-CG2 3.83Å; V94-V107 HydrophobicContact CG2-CG1 4.11Å; K103-V107 HydrophobicContact CD-CG2 4.34Å; K103-V107 WeakPolarHBondContact O-CG2 3.15Å; K103-V107 PolarHBondContact O-N 3.5Å; V104-V107 PolarHBondContact O-N 3.1Å; S105-V107 PolarHBondContact O-N 2.96Å; V107-A109 VanDerWaalsContact C-N 3.35Å; V107-A109 PolarHBondContact O-N 2.88Å; V107-L110 WeakPolarHBondContact O-CB 3.36Å; V107-L110 PolarHBondContact O-N 2.77Å; V107-V111 WeakPolarHBondContact O-CG2 3.47Å; V107-V111 PolarHBondContact O-N 3.03Å
108L98.2Very high97.3Very high7 Ų759 Ų594%0.03731%0.314CS..Hα-helixtrans-69.3-33.2-177.9-67.5171.4000112.1V94 V104 S105 V111 G112 V160 H163 V164V94-L108 HydrophobicContact CG2-CD1 4.37Å; V94-L108 HydrophobicContact CG2-CD2 3.96Å; V94-L108 HydrophobicContact CG2-CG 4.02Å; V104-L108 HydrophobicContact CG1-CD1 3.68Å; V104-L108 WeakPolarHBondContact O-CG 2.97Å; V104-L108 PolarHBondContact O-N 3.13Å; S105-L108 PolarHBondContact O-N 2.85Å; L108-V111 PolarHBondContact O-N 3.28Å; L108-G112 PolarHBondContact O-N 3.01Å; L108-V160 HydrophobicContact CD1-CG2 4.38Å; L108-V160 HydrophobicContact CD2-CB 4.48Å; L108-V160 HydrophobicContact CD2-CG1 3.99Å; L108-V160 HydrophobicContact CD2-CG2 4.33Å; L108-H163 HydrophobicContact CB-CB 3.62Å; L108-H163 HydrophobicContact CD1-CB 3.67Å; L108-H163 HydrophobicContact CG-CB 4.29Å; L108-V164 HydrophobicContact CB-CG2 4.5Å; L108-V164 HydrophobicContact CD2-CG2 4.25Å
109A97.8Very high97.3Very high19 Ų1962.1 Ų62.116%0.15733%0.328CS..Hα-helixtrans-64.5-42172.300000112.1S105 V107 G112 K113 A167S105-A109 WeakPolarHBondContact O-CB 3.32Å; S105-A109 PolarHBondContact O-N 3.06Å; V107-A109 VanDerWaalsContact C-N 3.35Å; V107-A109 PolarHBondContact O-N 2.88Å; A109-G112 PolarHBondContact O-N 2.96Å; A109-K113 VanDerWaalsContact O-CB 3.31Å; A109-K113 WeakPolarHBondContact O-CB 3.42Å; A109-K113 WeakPolarHBondContact O-CG 3.45Å; A109-K113 PolarHBondContact O-N 3.44Å; A109-A167 HydrophobicContact CB-CB 4.37Å
110L98.3Very high97.4Very high131 Ų13162 Ų6269%0.68633%0.326SS*.Hα-helixtrans-61.8-45.2175.3-179.565.8000111.3S106 V107 A114S106-L110 PolarHBondContact O-N 2.86Å; S106-L110 VanDerWaalsContact O-N 3.07Å; V107-L110 WeakPolarHBondContact O-CB 3.36Å; V107-L110 PolarHBondContact O-N 2.77Å; L110-A114 WeakPolarHBondContact O-CB 3.42Å; L110-A114 PolarHBondContact O-N 3.44Å; L110-A114 VanDerWaalsContact O-N 3.07Å
111V98.5Very high97.5Very high34 Ų3459.7 Ų59.721%0.20631%0.314CS..Hα-helixtrans-60.2-53.2176.2171.60000110.3A90 V107 L108 K113 A114 H115 F126A90-V111 HydrophobicContact CB-CG2 4.43Å; V107-V111 WeakPolarHBondContact O-CG2 3.47Å; V107-V111 PolarHBondContact O-N 3.03Å; L108-V111 PolarHBondContact O-N 3.28Å; V111-K113 PolarHBondContact O-N 3.03Å; V111-A114 PolarHBondContact O-N 3.32Å; V111-H115 PolarHBondContact O-N 3.45Å; V111-H115 PolarHBondContact O-ND1 3.12Å; V111-F126 HydrophobicContact CG1-CE1 4.12Å; V111-F126 HydrophobicContact CG1-CZ 4.34Å
112G98.2Very high97.6Very high0 Ų059.4 Ų59.40%031%0.306CS..Hα-helixtrans-60.5-47.1-177.900000112.7L108 A109 A114 H115 A116 Y168L108-G112 PolarHBondContact O-N 3.01Å; A109-G112 PolarHBondContact O-N 2.96Å; G112-A114 VanDerWaalsContact C-N 3.34Å; G112-A114 PolarHBondContact O-N 3.2Å; G112-H115 PolarHBondContact O-N 3.11Å; G112-A116 WeakPolarHBondContact O-CB 3.24Å; G112-A116 PolarHBondContact O-N 3.11Å; G112-Y168 VanDerWaalsContact O-CE2 3.32Å; G112-Y168 WeakPolarHBondContact O-CE2 3.29Å
113K98.2Very high97.6Very high81 Ų8152.6 Ų52.635%0.35227%0.274SS..Hα-helixtrans-61.5-40.8178-70.5177179.1168.90112.2A109 V111 V117 A167 E170 V171A109-K113 VanDerWaalsContact O-CB 3.31Å; A109-K113 WeakPolarHBondContact O-CB 3.42Å; A109-K113 WeakPolarHBondContact O-CG 3.45Å; A109-K113 PolarHBondContact O-N 3.44Å; V111-K113 PolarHBondContact O-N 3.03Å; K113-V117 WeakPolarHBondContact O-CB 3.32Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 2.75Å; K113-A167 HydrophobicContact CG-CB 4.23Å; K113-E170 WeakPolarHBondContact CE-OE2 3.47Å; K113-E170 IonicContact NZ-OE2 3.96Å; K113-E170 PolarHBondContact NZ-OE2 3.34Å; K113-V171 HydrophobicContact CB-CG1 4.38Å; K113-V171 HydrophobicContact CD-CG1 4.18Å; K113-V171 HydrophobicContact CG-CG1 3.71Å
114A98.3Very high97.5Very high36 Ų3653.7 Ų53.730%0.29828%0.282SS..Iπ-helixtrans-63.1-45.517600000111.4L110 V111 G112 K118 H119L110-A114 WeakPolarHBondContact O-CB 3.42Å; L110-A114 PolarHBondContact O-N 3.44Å; L110-A114 VanDerWaalsContact O-N 3.07Å; V111-A114 PolarHBondContact O-N 3.32Å; G112-A114 VanDerWaalsContact C-N 3.34Å; G112-A114 PolarHBondContact O-N 3.2Å; A114-K118 WeakPolarHBondContact O-CA 3.46Å; A114-K118 VanDerWaalsContact O-CB 3.28Å; A114-K118 WeakPolarHBondContact O-CB 3.49Å; A114-K118 PolarHBondContact O-N 3.12Å; A114-H119 PolarHBondContact O-CD2 2.89Å; A114-H119 VanDerWaalsContact O-CD2 3.3Å; A114-H119 PolarHBondContact O-N 2.9Å; A114-H119 VanDerWaalsContact O-N 3.15Å
115H98.5Very high97.6Very high35 Ų3554.3 Ų54.316%0.16228%0.284CS..Iπ-helixtrans-68.7-38.2-179.1-7180.4000112.5V111 G112 H119 K120 V121 F126 Y168V111-H115 PolarHBondContact O-N 3.45Å; V111-H115 PolarHBondContact O-ND1 3.12Å; G112-H115 PolarHBondContact O-N 3.11Å; H115-H119 CarbonylContact O-C 3.47Å; H115-K120 PolarHBondContact O-N 3.44Å; H115-V121 HydrophobicContact CB-CB 4.4Å; H115-V121 PolarHBondContact O-N 3.02Å; H115-F126 HydrophobicContact CB-CE2 3.78Å; H115-F126 HydrophobicContact CB-CZ 3.74Å; H115-F126 AromaticContact CD2-CZ 3.72Å; H115-F126 AromaticContact CG-CE2 3.98Å; H115-F126 AromaticContact CG-CZ 3.49Å; H115-F126 VanDerWaalsContact CG-CZ 3.49Å; H115-F126 AromaticContact ND1-CZ 3.8Å; H115-Y168 HydrophobicContact CB-CE2 4.23Å; H115-Y168 VanDerWaalsContact CB-OH 3.3Å; H115-Y168 WeakPolarHBondContact CB-OH 3.36Å
116A97.8Very high97.7Very high1 Ų153.6 Ų53.61%0.00828%0.275CS..Iπ-helixtrans-69.8-51175.700000112.7G112 K120 Y168 V171 W173G112-A116 WeakPolarHBondContact O-CB 3.24Å; G112-A116 PolarHBondContact O-N 3.11Å; A116-K120 WeakPolarHBondContact O-CD 3.22Å; A116-Y168 HydrophobicContact CB-CD1 3.71Å; A116-Y168 HydrophobicContact CB-CD2 3.85Å; A116-Y168 HydrophobicContact CB-CE1 3.7Å; A116-Y168 HydrophobicContact CB-CE2 3.88Å; A116-Y168 HydrophobicContact CB-CG 3.78Å; A116-Y168 PolarHBondContact N-OH 3.11Å; A116-V171 HydrophobicContact CB-CG2 3.71Å; A116-W173 HydrophobicContact CB-CE3 4.05Å; A116-W173 VanDerWaalsContact O-CZ3 3.23Å; A116-W173 WeakPolarHBondContact O-CZ3 3.37Å
117V96.9Very high97.6Very high76 Ų7657.2 Ų57.246%0.46128%0.283SS..Iπ-helixtrans-86.7-46.1-168.9-179.20000111.9K113 K120 V171K113-V117 WeakPolarHBondContact O-CB 3.32Å; K113-V117 WeakPolarHBondContact O-CG2 3.43Å; K113-V117 PolarHBondContact O-N 2.75Å; V117-K120 WeakPolarHBondContact O-CD 3.47Å; V117-K120 WeakPolarHBondContact O-CE 3.27Å; V117-K120 PolarHBondContact O-NZ 3.47Å; V117-V171 HydrophobicContact CG2-CB 3.87Å; V117-V171 HydrophobicContact CG2-CG1 3.98Å; V117-V171 HydrophobicContact CG2-CG2 3.88Å
118K96.8Very high97.6Very high163 Ų16358.1 Ų58.171%0.70929%0.287SS*.Iπ-helixtrans-88.2-46.5-173.7178.5-179.5177.61780112A114A114-K118 WeakPolarHBondContact O-CA 3.46Å; A114-K118 VanDerWaalsContact O-CB 3.28Å; A114-K118 WeakPolarHBondContact O-CB 3.49Å; A114-K118 PolarHBondContact O-N 3.12Å
119H97.3Very high97.6Very high78 Ų7858.9 Ų58.936%0.36129%0.291SS..Iπ-helixtrans-93.9-16.1-172.4-57-66000113.6A114 H115 V121A114-H119 PolarHBondContact O-CD2 2.89Å; A114-H119 VanDerWaalsContact O-CD2 3.3Å; A114-H119 PolarHBondContact O-N 2.9Å; A114-H119 VanDerWaalsContact O-N 3.15Å; H115-H119 CarbonylContact O-C 3.47Å; H119-V121 HydrophobicContact CB-CG2 3.76Å; H119-V121 PolarHBondContact O-N 3.4Å
120K96.9Very high97.6Very high120 Ų12058.5 Ų58.552%0.52229%0.287SS..  trans54.636.4-179.3-51.9-51.6-164.3-171.50113Y61 H115 A116 V117 W173Y61-K120 VanDerWaalsContact CE1-O 3.23Å; Y61-K120 WeakPolarHBondContact CE1-O 3.49Å; H115-K120 PolarHBondContact O-N 3.44Å; A116-K120 WeakPolarHBondContact O-CD 3.22Å; V117-K120 WeakPolarHBondContact O-CD 3.47Å; V117-K120 WeakPolarHBondContact O-CE 3.27Å; V117-K120 PolarHBondContact O-NZ 3.47Å; K120-W173 HydrophobicContact CB-CH2 4.43Å; K120-W173 HydrophobicContact CD-CZ3 4.28Å
121V97.9Very high97.6Very high16 Ų1653.6 Ų53.610%0.09727%0.268CS..  trans-78.5131.4-178.6176.30000109.8Y61 H115 H119 Y125 Y168Y61-V121 HydrophobicContact CD1-CG2 4Å; Y61-V121 HydrophobicContact CD2-CG1 4.3Å; Y61-V121 HydrophobicContact CD2-CG2 4.03Å; Y61-V121 HydrophobicContact CE1-CG2 4.36Å; Y61-V121 HydrophobicContact CE2-CB 4.43Å; Y61-V121 HydrophobicContact CE2-CG1 4.06Å; Y61-V121 HydrophobicContact CE2-CG2 4.38Å; Y61-V121 HydrophobicContact CG-CG2 3.83Å; H115-V121 HydrophobicContact CB-CB 4.4Å; H115-V121 PolarHBondContact O-N 3.02Å; H119-V121 HydrophobicContact CB-CG2 3.76Å; H119-V121 PolarHBondContact O-N 3.4Å; V121-Y125 HydrophobicContact CG1-CD2 4.15Å; V121-Y168 WeakPolarHBondContact O-CE1 3.42Å; V121-Y168 PolarHBondContact O-OH 2.85Å
122E97.1Very high97.6Very high79 Ų7952.2 Ų52.237%0.36926%0.259SS..  trans-61.3131.5174.4-72.3-61.6151.300111.3Y61 M124 Y125Y61-E122 WeakPolarHBondContact OH-CG 3.38Å; Y61-E122 PolarHBondContact OH-N 3.25Å; Y61-E122 VanDerWaalsContact OH-N 3.16Å; E122-M124 HydrophobicContact CB-CG 4.23Å; E122-M124 PolarHBondContact O-N 2.94Å; E122-M124 VanDerWaalsContact O-N 3.11Å; E122-Y125 HydrophobicContact CB-CD2 3.79Å; E122-Y125 HydrophobicContact CB-CE2 3.87Å; E122-Y125 HydrophobicContact CG-CE2 4.45Å; E122-Y125 WeakPolarHBondContact O-CD2 3.48Å; E122-Y125 PolarHBondContact O-N 2.77Å; E122-Y125 VanDerWaalsContact O-N 3.12Å
123P95.9Very high97.6Very high7 Ų752.4 Ų52.45%0.04526%0.261CS..THydrogen-bonded Turntrans-63.6-22.4-174.623.5-32.2000113.2Y125 F126 T165 Y168P123-Y125 PolarHBondContact O-N 2.87Å; P123-F126 WeakPolarHBondContact O-CB 3.46Å; P123-F126 PolarHBondContact O-N 3.03Å; P123-F126 VanDerWaalsContact O-N 3.11Å; P123-T165 HydrophobicContact CB-CG2 4.18Å; P123-Y168 HydrophobicContact CB-CD1 3.83Å; P123-Y168 HydrophobicContact CB-CE1 3.87Å; P123-Y168 HydrophobicContact CB-CG 4.31Å; P123-Y168 HydrophobicContact CG-CD1 4.03Å; P123-Y168 HydrophobicContact CG-CE1 4.18Å
124M96.1Very high97.6Very high109 Ų10949.9 Ų49.954%0.53725%0.251SS..Hα-helixtrans-58.2-30.7176.675.4173.477.600112.7E122 F126 K127 I128E122-M124 HydrophobicContact CB-CG 4.23Å; E122-M124 PolarHBondContact O-N 2.94Å; E122-M124 VanDerWaalsContact O-N 3.11Å; M124-F126 VanDerWaalsContact C-N 3.25Å; M124-F126 PolarHBondContact O-N 3.35Å; M124-K127 WeakPolarHBondContact O-CB 3.38Å; M124-K127 PolarHBondContact O-N 2.84Å; M124-K127 VanDerWaalsContact O-N 3.14Å; M124-I128 WeakPolarHBondContact O-CG1 3.37Å; M124-I128 PolarHBondContact O-N 2.88Å; M124-I128 VanDerWaalsContact O-N 3.15Å
125Y98.3Very high97.6Very high23 Ų2352.7 Ų52.79%0.0926%0.258CS..Hα-helixtrans-67.7-25.7-179.6-69.9-57.6000112.7F51 S57 A58 Y61 V121 E122 P123 I128 L129F51-Y125 HydrophobicContact CE2-CD1 4.08Å; F51-Y125 AromaticContact CZ-CD1 3.71Å; F51-Y125 HydrophobicContact CZ-CD1 3.71Å; F51-Y125 HydrophobicContact CZ-CG 4.13Å; S57-Y125 VanDerWaalsContact CB-OH 3.32Å; S57-Y125 WeakPolarHBondContact CB-OH 3.44Å; S57-Y125 PolarHBondContact O-OH 3.17Å; S57-Y125 PolarHBondContact OG-OH 3.43Å; A58-Y125 HydrophobicContact CB-CD1 3.75Å; A58-Y125 HydrophobicContact CB-CE1 3.59Å; A58-Y125 HydrophobicContact CB-CG 4.32Å; Y61-Y125 AromaticContact CE2-CD2 3.75Å; Y61-Y125 HydrophobicContact CE2-CD2 3.75Å; Y61-Y125 AromaticContact CE2-CE2 3.54Å; Y61-Y125 HydrophobicContact CE2-CE2 3.54Å; V121-Y125 HydrophobicContact CG1-CD2 4.15Å; E122-Y125 HydrophobicContact CB-CD2 3.79Å; E122-Y125 HydrophobicContact CB-CE2 3.87Å; E122-Y125 HydrophobicContact CG-CE2 4.45Å; E122-Y125 WeakPolarHBondContact O-CD2 3.48Å; E122-Y125 PolarHBondContact O-N 2.77Å; E122-Y125 VanDerWaalsContact O-N 3.12Å; P123-Y125 PolarHBondContact O-N 2.87Å; Y125-I128 HydrophobicContact CD1-CD1 4.18Å; Y125-L129 WeakPolarHBondContact O-CB 3.34Å; Y125-L129 PolarHBondContact O-N 3.39Å
126F98.2Very high97.6Very high25 Ų2551 Ų5111%0.1125%0.25CC..Hα-helixtrans-66.8-41.8171.4-79.8-88.7000111.9V111 H115 P123 M124 I128 L129 C130 Y161 V164 Y168V111-F126 HydrophobicContact CG1-CE1 4.12Å; V111-F126 HydrophobicContact CG1-CZ 4.34Å; H115-F126 HydrophobicContact CB-CE2 3.78Å; H115-F126 HydrophobicContact CB-CZ 3.74Å; H115-F126 AromaticContact CD2-CZ 3.72Å; H115-F126 AromaticContact CG-CE2 3.98Å; H115-F126 AromaticContact CG-CZ 3.49Å; H115-F126 VanDerWaalsContact CG-CZ 3.49Å; H115-F126 AromaticContact ND1-CZ 3.8Å; P123-F126 WeakPolarHBondContact O-CB 3.46Å; P123-F126 PolarHBondContact O-N 3.03Å; P123-F126 VanDerWaalsContact O-N 3.11Å; M124-F126 VanDerWaalsContact C-N 3.25Å; M124-F126 PolarHBondContact O-N 3.35Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 3.49Å; F126-L129 PolarHBondContact O-N 2.86Å; F126-C130 WeakPolarHBondContact O-CB 3.28Å; F126-C130 PolarHBondContact O-N 3.48Å; F126-C130 PolarHBondContact O-SG 3.47Å; F126-Y161 HydrophobicContact CB-CD2 4.05Å; F126-Y161 HydrophobicContact CB-CE2 4.48Å; F126-V164 HydrophobicContact CB-CG1 4.48Å; F126-V164 HydrophobicContact CD1-CB 4.4Å; F126-V164 HydrophobicContact CD1-CG1 3.77Å; F126-V164 HydrophobicContact CD1-CG2 4.24Å; F126-V164 HydrophobicContact CD2-CG1 3.82Å; F126-V164 HydrophobicContact CE1-CG1 3.82Å; F126-V164 HydrophobicContact CE1-CG2 4.2Å; F126-V164 HydrophobicContact CE2-CG1 3.87Å; F126-V164 HydrophobicContact CG-CG1 3.75Å; F126-V164 HydrophobicContact CZ-CG1 3.86Å; F126-Y168 HydrophobicContact CD2-CE2 4.49Å; F126-Y168 HydrophobicContact CE2-CE2 4.02Å; F126-Y168 WeakPolarHBondContact CE2-OH 3.43Å
127K96.3Very high97.7Very high139 Ų13951 Ų5160%0.60425%0.25SC*.Hα-helixtrans-61.2-45.7176.6-174176.2179.9177.90110.9M124 G131 Y161M124-K127 WeakPolarHBondContact O-CB 3.38Å; M124-K127 PolarHBondContact O-N 2.84Å; M124-K127 VanDerWaalsContact O-N 3.14Å; K127-G131 PolarHBondContact O-N 3.47Å; K127-Y161 HydrophobicContact CB-CD2 3.92Å; K127-Y161 HydrophobicContact CB-CE2 3.63Å
128I98.3Very high97.7Very high42 Ų4248.3 Ų48.322%0.21523%0.234CC..Hα-helixtrans-64-49.6179.2-64.7166.9000110.5F51 F55 M124 Y125 F126 C130 G131 V132F51-I128 HydrophobicContact CD2-CG2 3.82Å; F51-I128 HydrophobicContact CE2-CB 4.1Å; F51-I128 HydrophobicContact CE2-CG2 3.66Å; F55-I128 HydrophobicContact CD1-CD1 3.9Å; F55-I128 HydrophobicContact CD1-CG2 4.04Å; F55-I128 HydrophobicContact CD2-CG2 3.38Å; F55-I128 HydrophobicContact CE1-CD1 3.91Å; F55-I128 HydrophobicContact CE1-CG1 4.34Å; F55-I128 HydrophobicContact CE1-CG2 3.85Å; F55-I128 HydrophobicContact CE2-CG2 3.17Å; F55-I128 HydrophobicContact CG-CD1 4.48Å; F55-I128 HydrophobicContact CG-CG2 3.82Å; F55-I128 HydrophobicContact CZ-CG2 3.42Å; F55-I128 VanDerWaalsContact CZ-CG2 3.42Å; M124-I128 WeakPolarHBondContact O-CG1 3.37Å; M124-I128 PolarHBondContact O-N 2.88Å; M124-I128 VanDerWaalsContact O-N 3.15Å; Y125-I128 HydrophobicContact CD1-CD1 4.18Å; F126-I128 VanDerWaalsContact C-N 3.33Å; F126-I128 PolarHBondContact O-N 3.49Å; I128-C130 VanDerWaalsContact C-N 3.3Å; I128-C130 PolarHBondContact O-N 2.7Å; I128-G131 WeakPolarHBondContact O-CA 3.32Å; I128-G131 PolarHBondContact O-N 2.87Å; I128-V132 HydrophobicContact CG2-CG2 4.4Å; I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 3.35Å
129L98.5Very high97.7Very high22 Ų2245.8 Ų45.812%0.11523%0.225CC..Hα-helixtrans-59.9-40.7179.9-179.363.9000112.1V47 L48 F51 Y125 F126 G131 V132 M133V47-L129 HydrophobicContact CG1-CD1 3.66Å; L48-L129 HydrophobicContact CD2-CD1 4.09Å; F51-L129 HydrophobicContact CB-CD1 4.14Å; F51-L129 HydrophobicContact CD1-CD1 4.34Å; F51-L129 HydrophobicContact CD2-CB 4.45Å; F51-L129 HydrophobicContact CD2-CD1 4.44Å; F51-L129 HydrophobicContact CE2-CB 4.45Å; F51-L129 HydrophobicContact CG-CD1 4.05Å; Y125-L129 WeakPolarHBondContact O-CB 3.34Å; Y125-L129 PolarHBondContact O-N 3.39Å; F126-L129 PolarHBondContact O-N 2.86Å; L129-G131 VanDerWaalsContact C-N 3.29Å; L129-G131 PolarHBondContact O-N 3.18Å; L129-V132 PolarHBondContact O-N 3.4Å; L129-M133 HydrophobicContact CG-CE 4.39Å; L129-M133 WeakPolarHBondContact O-CG 3.29Å; L129-M133 PolarHBondContact O-N 3.09Å
130C98.1Very high97.7Very high12 Ų1245.5 Ų45.58%0.08123%0.226CC..Hα-helixtrans-58.6-40.9174.1-73.20000112F126 I128 L134 M157F126-C130 WeakPolarHBondContact O-CB 3.28Å; F126-C130 PolarHBondContact O-N 3.48Å; F126-C130 PolarHBondContact O-SG 3.47Å; I128-C130 VanDerWaalsContact C-N 3.3Å; I128-C130 PolarHBondContact O-N 2.7Å; C130-L134 WeakPolarHBondContact O-CG 3.34Å; C130-L134 PolarHBondContact O-N 2.94Å; C130-M157 HydrophobicContact CB-CB 4.03Å; C130-M157 HydrophobicContact CB-CG 4.33Å; C130-M157 HydrophobicContact CB-SD 4.14Å
131G98.1Very high97.7Very high28 Ų2841 Ų4129%0.28921%0.207SC..Hα-helixtrans-64.6-47.217400000112.6K127 I128 L129 M133 L134 E135K127-G131 PolarHBondContact O-N 3.47Å; I128-G131 WeakPolarHBondContact O-CA 3.32Å; I128-G131 PolarHBondContact O-N 2.87Å; L129-G131 VanDerWaalsContact C-N 3.29Å; L129-G131 PolarHBondContact O-N 3.18Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 3.04Å; G131-L134 WeakPolarHBondContact O-CB 3.45Å; G131-L134 PolarHBondContact O-N 3.42Å; G131-L134 VanDerWaalsContact O-N 3.07Å; G131-E135 PolarHBondContact O-N 3.06Å
132V98.7Very high97.6Very high4 Ų443.9 Ų43.92%0.02423%0.226CC..Hα-helixtrans-60.3-38178.1174.20000111.7V47 R50 F51 F55 I128 L129 L134 E135 V136V47-V132 HydrophobicContact CG1-CG1 4.36Å; V47-V132 WeakPolarHBondContact O-CG1 3.23Å; R50-V132 HydrophobicContact CB-CG1 3.97Å; R50-V132 HydrophobicContact CG-CG1 4.03Å; F51-V132 HydrophobicContact CB-CG1 4.25Å; F51-V132 HydrophobicContact CB-CG2 4.48Å; F51-V132 HydrophobicContact CD2-CG2 4.47Å; F55-V132 HydrophobicContact CE2-CG2 4.41Å; I128-V132 HydrophobicContact CG2-CG2 4.4Å; I128-V132 WeakPolarHBondContact O-CG2 3.36Å; I128-V132 PolarHBondContact O-N 3.35Å; L129-V132 PolarHBondContact O-N 3.4Å; V132-L134 PolarHBondContact O-N 3.29Å; V132-E135 PolarHBondContact O-N 2.95Å; V132-V136 HydrophobicContact CG1-CG2 4.26Å; V132-V136 WeakPolarHBondContact O-CB 3.05Å; V132-V136 WeakPolarHBondContact O-CG2 3.39Å; V132-V136 PolarHBondContact O-N 3.07Å
133M98.5Very high97.6Very high5 Ų546.1 Ų46.13%0.02524%0.236CC..Hα-helixtrans-59.3-46173.5-77.5179.7168.200112.1V47 V87 I91 L129 G131 E135 V136 F137 M157V47-M133 HydrophobicContact CG1-CE 4.28Å; V47-M133 HydrophobicContact CG1-CG 3.64Å; V47-M133 HydrophobicContact CG2-CG 4.2Å; V87-M133 HydrophobicContact CG1-CE 3.12Å; I91-M133 HydrophobicContact CG1-CE 4.25Å; I91-M133 HydrophobicContact CG1-SD 4.49Å; L129-M133 HydrophobicContact CG-CE 4.39Å; L129-M133 WeakPolarHBondContact O-CG 3.29Å; L129-M133 PolarHBondContact O-N 3.09Å; G131-M133 VanDerWaalsContact C-N 3.28Å; G131-M133 PolarHBondContact O-N 3.04Å; M133-E135 VanDerWaalsContact C-N 3.34Å; M133-E135 PolarHBondContact O-N 3.28Å; M133-V136 PolarHBondContact O-N 3.31Å; M133-F137 HydrophobicContact CB-CE2 4.06Å; M133-F137 HydrophobicContact CB-CZ 4.03Å; M133-F137 HydrophobicContact CG-CZ 4.21Å; M133-F137 WeakPolarHBondContact O-CB 3.5Å; M133-F137 WeakPolarHBondContact O-CD1 3.33Å; M133-F137 WeakPolarHBondContact O-CD2 3.4Å; M133-F137 WeakPolarHBondContact O-CG 3.33Å; M133-F137 PolarHBondContact O-N 3.49Å; M133-M157 HydrophobicContact CB-CE 4.07Å; M133-M157 HydrophobicContact SD-CE 3.89Å; M133-M157 HydrophobicContact SD-SD 4.31Å
134L98.3Very high97.7Very high28 Ų2849 Ų4915%0.14725%0.248CC..Hα-helixtrans-63.1-42.1179.1-65.8171.2000111.6C130 G131 V132 S138 W153 M157C130-L134 WeakPolarHBondContact O-CG 3.34Å; C130-L134 PolarHBondContact O-N 2.94Å; G131-L134 WeakPolarHBondContact O-CB 3.45Å; G131-L134 PolarHBondContact O-N 3.42Å; G131-L134 VanDerWaalsContact O-N 3.07Å; V132-L134 PolarHBondContact O-N 3.29Å; L134-S138 VanDerWaalsContact O-CB 3.29Å; L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 2.9Å; L134-S138 PolarHBondContact O-OG 3.26Å; L134-W153 HydrophobicContact CD2-CB 3.5Å; L134-W153 VanDerWaalsContact CD2-CB 3.5Å; L134-W153 HydrophobicContact CD2-CG 4.5Å; L134-M157 HydrophobicContact CD1-CB 4.3Å; L134-M157 HydrophobicContact CD1-CG 4.11Å; L134-M157 HydrophobicContact CD2-CG 3.87Å; L134-M157 HydrophobicContact CG-CG 3.95Å
135E98.4Very high97.8Very high94 Ų9444 Ų4444%0.43922%0.223SC..Hα-helixtrans-59.8-52.6175.5-70.3172.3-174.900110.9G131 V132 M133 F137 S138 E139G131-E135 PolarHBondContact O-N 3.06Å; V132-E135 PolarHBondContact O-N 2.95Å; M133-E135 VanDerWaalsContact C-N 3.34Å; M133-E135 PolarHBondContact O-N 3.28Å; E135-F137 PolarHBondContact O-N 3.33Å; E135-S138 PolarHBondContact O-N 3.39Å; E135-E139 WeakPolarHBondContact O-CG 3.46Å; E135-E139 PolarHBondContact O-N 2.94Å
136V98.4Very high97.7Very high0 Ų046.2 Ų46.20%024%0.24CC..Hα-helixtrans-62.2-45.8-179.2172.20000111.3V43 V47 R50 V132 M133 S138 E139 D140V43-V136 HydrophobicContact CG1-CG1 4.42Å; V47-V136 HydrophobicContact CG2-CB 3.87Å; V47-V136 HydrophobicContact CG2-CG1 3.79Å; V47-V136 HydrophobicContact CG2-CG2 4.11Å; R50-V136 HydrophobicContact CB-CG2 4.49Å; V132-V136 HydrophobicContact CG1-CG2 4.26Å; V132-V136 WeakPolarHBondContact O-CB 3.05Å; V132-V136 WeakPolarHBondContact O-CG2 3.39Å; V132-V136 PolarHBondContact O-N 3.07Å; M133-V136 PolarHBondContact O-N 3.31Å; V136-S138 VanDerWaalsContact C-N 3.27Å; V136-S138 PolarHBondContact O-N 3.5Å; V136-E139 PolarHBondContact O-N 3.41Å; V136-D140 WeakPolarHBondContact CG1-OD2 3.36Å; V136-D140 VanDerWaalsContact O-CB 3.32Å; V136-D140 WeakPolarHBondContact O-CB 3.32Å; V136-D140 PolarHBondContact O-N 3.07Å
137F98.1Very high97.7Very high0 Ų048.6 Ų48.60%026%0.264CS..Hα-helixtrans-63.6-36.8179.7-60.1-13.8000111.9W33 V36 V43 V47 M88 M133 E135 F141 F145 W153 M157W33-F137 HydrophobicContact CZ3-CE2 4.04Å; W33-F137 AromaticContact CZ3-CZ 3.88Å; W33-F137 HydrophobicContact CZ3-CZ 3.88Å; V36-F137 HydrophobicContact CG1-CD1 3.97Å; V36-F137 HydrophobicContact CG1-CE1 3.69Å; V36-F137 HydrophobicContact CG1-CZ 4.02Å; V36-F137 HydrophobicContact CG2-CD1 4.43Å; V36-F137 HydrophobicContact CG2-CG 4.36Å; V43-F137 HydrophobicContact CG1-CD1 4.02Å; V43-F137 HydrophobicContact CG1-CE1 3.69Å; V47-F137 HydrophobicContact CG2-CE1 4.15Å; M88-F137 HydrophobicContact CE-CE1 4.32Å; M88-F137 HydrophobicContact CE-CZ 4.36Å; M133-F137 HydrophobicContact CB-CE2 4.06Å; M133-F137 HydrophobicContact CB-CZ 4.03Å; M133-F137 HydrophobicContact CG-CZ 4.21Å; M133-F137 WeakPolarHBondContact O-CB 3.5Å; M133-F137 WeakPolarHBondContact O-CD1 3.33Å; M133-F137 WeakPolarHBondContact O-CD2 3.4Å; M133-F137 WeakPolarHBondContact O-CG 3.33Å; M133-F137 PolarHBondContact O-N 3.49Å; E135-F137 PolarHBondContact O-N 3.33Å; F137-F141 WeakPolarHBondContact O-CB 3.48Å; F137-F141 PolarHBondContact O-N 3.37Å; F137-F141 VanDerWaalsContact O-N 3.08Å; F137-F145 HydrophobicContact CB-CD1 3.93Å; F137-F145 HydrophobicContact CB-CD2 4.32Å; F137-F145 HydrophobicContact CB-CE1 3.54Å; F137-F145 HydrophobicContact CB-CE2 3.98Å; F137-F145 HydrophobicContact CB-CG 4.31Å; F137-F145 HydrophobicContact CB-CZ 3.58Å; F137-F145 HydrophobicContact CD2-CE1 4.03Å; F137-F145 AromaticContact CD2-CZ 3.95Å; F137-F145 HydrophobicContact CD2-CZ 3.95Å; F137-F145 HydrophobicContact CG-CE1 4.26Å; F137-F145 HydrophobicContact CG-CZ 4.08Å; F137-W153 HydrophobicContact CD2-CE3 4.32Å; F137-W153 HydrophobicContact CD2-CZ3 4.35Å; F137-W153 HydrophobicContact CE2-CE3 4.29Å; F137-W153 HydrophobicContact CE2-CH2 4.5Å; F137-W153 AromaticContact CE2-CZ3 3.97Å; F137-W153 HydrophobicContact CE2-CZ3 3.97Å; F137-M157 HydrophobicContact CE2-CE 4.12Å
138S97.6Very high97.7Very high20 Ų2048.2 Ų48.214%0.1426%0.264CS..Hα-helixtrans-70.8-33178.6-55.60000112.9L134 E135 V136 P142 Q150L134-S138 VanDerWaalsContact O-CB 3.29Å; L134-S138 WeakPolarHBondContact O-CB 3.49Å; L134-S138 PolarHBondContact O-N 2.9Å; L134-S138 PolarHBondContact O-OG 3.26Å; E135-S138 PolarHBondContact O-N 3.39Å; V136-S138 VanDerWaalsContact C-N 3.27Å; V136-S138 PolarHBondContact O-N 3.5Å; S138-P142 WeakPolarHBondContact O-CA 3.48Å; S138-Q150 VanDerWaalsContact OG-CD 3.28Å; S138-Q150 WeakPolarHBondContact OG-CG 3.34Å
139E97.4Very high97.7Very high110 Ų11047 Ų4751%0.51426%0.258SS..Hα-helixtrans-81.9-39.9179.1-73.5174.1-155.300113.3R50 E135 V136 P142R50-E139 IonicContact CZ-OE2 2.68Å; R50-E139 IonicContact NH1-OE1 3.22Å; R50-E139 PolarHBondContact NH1-OE1 3.08Å; R50-E139 VanDerWaalsContact NH1-OE1 3.09Å; R50-E139 IonicContact NH1-OE2 2.71Å; R50-E139 PolarHBondContact NH1-OE2 3.32Å; R50-E139 IonicContact NH2-OE2 2.72Å; R50-E139 PolarHBondContact NH2-OE2 2.69Å; E135-E139 WeakPolarHBondContact O-CG 3.46Å; E135-E139 PolarHBondContact O-N 2.94Å; V136-E139 PolarHBondContact O-N 3.41Å; E139-P142 WeakPolarHBondContact O-CD 3.31Å
140D96.3Very high97.7Very high73 Ų7349.5 Ų49.539%0.3927%0.269SS..Hα-helixtrans-82.7-24.5-176.1-70.5-2.9000112.1V136 P142V136-D140 WeakPolarHBondContact CG1-OD2 3.36Å; V136-D140 VanDerWaalsContact O-CB 3.32Å; V136-D140 WeakPolarHBondContact O-CB 3.32Å; V136-D140 PolarHBondContact O-N 3.07Å; D140-P142 VanDerWaalsContact C-CD 3.41Å
141F96.9Very high97.6Very high25 Ų2555 Ų5511%0.1130%0.296CS..  trans-130.850.2-177.6-54-83000112.7H35 V36 V43 F137 E143 F144 F145H35-F141 HydrophobicContact CB-CD1 4.41Å; H35-F141 WeakPolarHBondContact O-CE1 3.41Å; V36-F141 HydrophobicContact CB-CE2 4.4Å; V36-F141 HydrophobicContact CG1-CE2 4.45Å; V36-F141 HydrophobicContact CG2-CD2 3.95Å; V36-F141 HydrophobicContact CG2-CE2 4.01Å; V36-F141 HydrophobicContact CG2-CG 4.46Å; V43-F141 HydrophobicContact CG1-CE2 4.39Å; V43-F141 HydrophobicContact CG2-CE2 3.84Å; V43-F141 HydrophobicContact CG2-CZ 3.68Å; F137-F141 WeakPolarHBondContact O-CB 3.48Å; F137-F141 PolarHBondContact O-N 3.37Å; F137-F141 VanDerWaalsContact O-N 3.08Å; F141-E143 PolarHBondContact O-N 3.19Å; F141-E143 VanDerWaalsContact O-N 3.15Å; F141-F144 HydrophobicContact CB-CB 4.47Å; F141-F144 HydrophobicContact CB-CD2 4.16Å; F141-F144 HydrophobicContact CD1-CD2 4.42Å; F141-F144 PolarHBondContact O-N 3.16Å; F141-F145 HydrophobicContact CB-CD2 3.82Å; F141-F145 HydrophobicContact CB-CE2 4.27Å; F141-F145 PolarHBondContact O-N 2.88Å
142P96.9Very high97.6Very high77 Ų7754 Ų5450%0.528%0.284SS..THydrogen-bonded Turntrans-62.3-27.1-170.527-36.1000113.6S138 E139 D140 F144S138-P142 WeakPolarHBondContact O-CA 3.48Å; E139-P142 WeakPolarHBondContact O-CD 3.31Å; D140-P142 VanDerWaalsContact C-CD 3.41Å; P142-F144 VanDerWaalsContact C-N 3.3Å; P142-F144 PolarHBondContact O-N 3.04Å
143E97.2Very high97.6Very high126 Ų12653.8 Ų53.859%0.58928%0.283SS*.THydrogen-bonded Turntrans-70.6-24.3175.867-87.6-151.100113.3F141F141-E143 PolarHBondContact O-N 3.19Å; F141-E143 VanDerWaalsContact O-N 3.15Å
144F97.1Very high97.6Very high68 Ų6857.3 Ų57.330%0.29830%0.304SS..THydrogen-bonded Turntrans-103.2-25.9-180-56.6-65.8000112.4H35 F141 P142 T146H35-F144 HydrophobicContact CB-CD2 4Å; H35-F144 HydrophobicContact CB-CE2 4.16Å; H35-F144 HydrophobicContact CB-CG 4.44Å; H35-F144 AromaticContact CD2-CD1 3.38Å; H35-F144 WeakPolarHBondContact CD2-CD1 3.39Å; H35-F144 AromaticContact CD2-CD2 3.86Å; H35-F144 AromaticContact CD2-CE1 3.52Å; H35-F144 AromaticContact CD2-CE2 4Å; H35-F144 AromaticContact CD2-CG 3.57Å; H35-F144 AromaticContact CD2-CZ 3.84Å; H35-F144 AromaticContact CE1-CE1 3.72Å; H35-F144 AromaticContact CE1-CZ 3.74Å; H35-F144 AromaticContact CG-CD2 3.88Å; H35-F144 AromaticContact CG-CE2 3.8Å; H35-F144 AromaticContact CG-CZ 3.91Å; H35-F144 AromaticContact ND1-CZ 3.85Å; H35-F144 AromaticContact NE2-CD1 3.55Å; H35-F144 AromaticContact NE2-CE1 3.28Å; H35-F144 VanDerWaalsContact NE2-CE1 3.28Å; H35-F144 WeakPolarHBondContact NE2-CE1 3.35Å; H35-F144 AromaticContact NE2-CZ 3.75Å; F141-F144 HydrophobicContact CB-CB 4.47Å; F141-F144 HydrophobicContact CB-CD2 4.16Å; F141-F144 HydrophobicContact CD1-CD2 4.42Å; F141-F144 PolarHBondContact O-N 3.16Å; P142-F144 VanDerWaalsContact C-N 3.3Å; P142-F144 PolarHBondContact O-N 3.04Å; F144-T146 PolarHBondContact O-N 3.2Å
145F97.7Very high97.5Very high3 Ų359.2 Ų59.21%0.01331%0.312CS..  trans-100.964.9-178.6-81.6-103.4000112.2V36 F137 F141 V149 Q150 W153V36-F145 HydrophobicContact CG2-CE2 3.71Å; V36-F145 HydrophobicContact CG2-CZ 3.95Å; F137-F145 HydrophobicContact CB-CD1 3.93Å; F137-F145 HydrophobicContact CB-CD2 4.32Å; F137-F145 HydrophobicContact CB-CE1 3.54Å; F137-F145 HydrophobicContact CB-CE2 3.98Å; F137-F145 HydrophobicContact CB-CG 4.31Å; F137-F145 HydrophobicContact CB-CZ 3.58Å; F137-F145 HydrophobicContact CD2-CE1 4.03Å; F137-F145 AromaticContact CD2-CZ 3.95Å; F137-F145 HydrophobicContact CD2-CZ 3.95Å; F137-F145 HydrophobicContact CG-CE1 4.26Å; F137-F145 HydrophobicContact CG-CZ 4.08Å; F141-F145 HydrophobicContact CB-CD2 3.82Å; F141-F145 HydrophobicContact CB-CE2 4.27Å; F141-F145 PolarHBondContact O-N 2.88Å; F145-V149 HydrophobicContact CD1-CG1 4.02Å; F145-V149 HydrophobicContact CE1-CG1 4.33Å; F145-V149 HydrophobicContact CG-CG1 4.23Å; F145-Q150 HydrophobicContact CB-CG 4.34Å; F145-Q150 HydrophobicContact CD1-CG 4.46Å; F145-Q150 PolarHBondContact O-NE2 3.14Å; F145-W153 HydrophobicContact CE1-CB 4.44Å; F145-W153 AromaticContact CE1-CD1 3.47Å; F145-W153 VanDerWaalsContact CE1-CD1 3.47Å; F145-W153 AromaticContact CE1-CD2 3.83Å; F145-W153 HydrophobicContact CE1-CD2 3.83Å; F145-W153 AromaticContact CE1-CE2 3.76Å; F145-W153 AromaticContact CE1-CG 3.67Å; F145-W153 HydrophobicContact CE1-CG 3.67Å; F145-W153 AromaticContact CE1-NE1 3.48Å; F145-W153 HydrophobicContact CZ-CD2 4.15Å; F145-W153 AromaticContact CZ-CE2 3.65Å; F145-W153 HydrophobicContact CZ-CG 4.38Å; F145-W153 HydrophobicContact CZ-CZ2 4.07Å; F145-W153 AromaticContact CZ-NE1 3.54Å
146T97.7Very high97.5Very high70 Ų7054.9 Ų54.943%0.42929%0.291SS..  trans-63.2166.9170.772.40000111.7F144 E148 V149 Q150F144-T146 PolarHBondContact O-N 3.2Å; T146-E148 PolarHBondContact O-N 3.36Å; T146-V149 PolarHBondContact O-N 3.15Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.18Å; T146-V149 PolarHBondContact OG1-N 3Å; T146-Q150 WeakPolarHBondContact O-CG 3.45Å; T146-Q150 PolarHBondContact O-N 2.86Å
147A96.8Very high97.4Very high74 Ų7455.2 Ų55.261%0.61229%0.293SS*.Hα-helixtrans-55.5-36.7178.600000113.3M151A147-M151 WeakPolarHBondContact O-CG 3.31Å; A147-M151 PolarHBondContact O-N 2.72Å; A147-M151 VanDerWaalsContact O-N 3.15Å
148E96.6Very high97.3Very high132 Ų13256.9 Ų56.962%0.61731%0.31SS*.Hα-helixtrans-66.2-46.9175.3-177.9177.1-173.900111.4T146 Q150 M151 V152T146-E148 PolarHBondContact O-N 3.36Å; E148-Q150 VanDerWaalsContact C-N 3.32Å; E148-Q150 PolarHBondContact O-N 3.02Å; E148-M151 WeakPolarHBondContact O-CB 3.45Å; E148-M151 PolarHBondContact O-N 3.04Å; E148-V152 WeakPolarHBondContact O-CG2 3.45Å; E148-V152 PolarHBondContact O-N 3.39Å; E148-V152 VanDerWaalsContact O-N 3.14Å
149V98.3Very high97.2Very high15 Ų1557 Ų579%0.09131%0.31CS..Hα-helixtrans-60.1-44177.1172.30000110.7I28 T32 F145 T146 M151 V152 W153I28-V149 HydrophobicContact CG2-CB 4.41Å; I28-V149 HydrophobicContact CG2-CG1 4.3Å; I28-V149 HydrophobicContact CG2-CG2 3.91Å; T32-V149 HydrophobicContact CG2-CG1 3.83Å; T32-V149 HydrophobicContact CG2-CG2 4.3Å; F145-V149 HydrophobicContact CD1-CG1 4.02Å; F145-V149 HydrophobicContact CE1-CG1 4.33Å; F145-V149 HydrophobicContact CG-CG1 4.23Å; T146-V149 PolarHBondContact O-N 3.15Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.18Å; T146-V149 PolarHBondContact OG1-N 3Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 2.86Å; V149-V152 PolarHBondContact O-N 3.04Å; V149-V152 VanDerWaalsContact O-N 3.12Å; V149-W153 VanDerWaalsContact CG1-CD1 3.48Å; V149-W153 VanDerWaalsContact O-CD1 3.3Å; V149-W153 PolarHBondContact O-N 2.98Å
150Q97.9Very high97.2Very high75 Ų7552.1 Ų52.135%0.3529%0.288SS..Hα-helixtrans-59.7-38.9177.3-69.517736.400112.5S138 F145 T146 E148 W153 T154S138-Q150 VanDerWaalsContact OG-CD 3.28Å; S138-Q150 WeakPolarHBondContact OG-CG 3.34Å; F145-Q150 HydrophobicContact CB-CG 4.34Å; F145-Q150 HydrophobicContact CD1-CG 4.46Å; F145-Q150 PolarHBondContact O-NE2 3.14Å; T146-Q150 WeakPolarHBondContact O-CG 3.45Å; T146-Q150 PolarHBondContact O-N 2.86Å; E148-Q150 VanDerWaalsContact C-N 3.32Å; E148-Q150 PolarHBondContact O-N 3.02Å; Q150-W153 PolarHBondContact O-N 2.9Å; Q150-T154 WeakPolarHBondContact O-CB 3.35Å; Q150-T154 PolarHBondContact O-N 3.38Å; Q150-T154 PolarHBondContact O-OG1 3.36Å
151M97.1Very high97.2Very high128 Ų12851.7 Ų51.763%0.63128%0.281SS*.Hα-helixtrans-62.9-43.7174.2-74.8174.725.100112A147 E148 V149 T154 K155A147-M151 WeakPolarHBondContact O-CG 3.31Å; A147-M151 PolarHBondContact O-N 2.72Å; A147-M151 VanDerWaalsContact O-N 3.15Å; E148-M151 WeakPolarHBondContact O-CB 3.45Å; E148-M151 PolarHBondContact O-N 3.04Å; V149-M151 VanDerWaalsContact C-N 3.3Å; V149-M151 PolarHBondContact O-N 2.86Å; M151-T154 WeakPolarHBondContact O-CB 3.41Å; M151-T154 PolarHBondContact O-N 3.15Å; M151-K155 PolarHBondContact O-N 3.08Å; M151-K155 VanDerWaalsContact O-N 3.16Å
152V98.3Very high97.2Very high7 Ų755.4 Ų55.44%0.04229%0.294CS..Hα-helixtrans-64.9-43.9178.2178.60000111.1L21 E25 I28 I29 E148 V149 T154 K155 L156L21-V152 HydrophobicContact CD2-CG1 4.41Å; E25-V152 HydrophobicContact CB-CG1 3.67Å; E25-V152 HydrophobicContact CG-CG1 3.96Å; E25-V152 HydrophobicContact CG-CG2 3.94Å; E25-V152 WeakPolarHBondContact O-CG1 3.44Å; I28-V152 HydrophobicContact CD1-CG2 4.31Å; I28-V152 HydrophobicContact CG2-CB 4.36Å; I28-V152 HydrophobicContact CG2-CG1 4.33Å; I29-V152 HydrophobicContact CD1-CG1 3.83Å; I29-V152 HydrophobicContact CG1-CG1 3.72Å; E148-V152 WeakPolarHBondContact O-CG2 3.45Å; E148-V152 PolarHBondContact O-N 3.39Å; E148-V152 VanDerWaalsContact O-N 3.14Å; V149-V152 PolarHBondContact O-N 3.04Å; V149-V152 VanDerWaalsContact O-N 3.12Å; V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 3.5Å; V152-K155 WeakPolarHBondContact O-CB 3.44Å; V152-K155 PolarHBondContact O-N 2.96Å; V152-K155 VanDerWaalsContact O-N 3.16Å; V152-L156 PolarHBondContact O-N 2.99Å; V152-L156 VanDerWaalsContact O-N 3.16Å
153W98.4Very high97.1Very high0 Ų054.3 Ų54.30%028%0.283CS..Hα-helixtrans-63.3-35.3174.6-8790.1000112.5I29 T32 W33 V95 L134 F137 F145 V149 Q150 K155 L156 M157I29-W153 HydrophobicContact CG2-CH2 4.01Å; I29-W153 HydrophobicContact CG2-CZ2 3.83Å; T32-W153 PolarHBondContact OG1-NE1 3.03Å; W33-W153 HydrophobicContact CB-CH2 4.12Å; W33-W153 HydrophobicContact CB-CZ2 3.97Å; W33-W153 HydrophobicContact CD2-CH2 4.03Å; W33-W153 AromaticContact CE3-CH2 3.32Å; W33-W153 HydrophobicContact CE3-CH2 3.32Å; W33-W153 HydrophobicContact CE3-CZ2 4.05Å; W33-W153 HydrophobicContact CE3-CZ3 4.17Å; W33-W153 HydrophobicContact CG-CH2 4.39Å; W33-W153 AromaticContact CZ3-CH2 3.99Å; W33-W153 HydrophobicContact CZ3-CH2 3.99Å; W33-W153 HydrophobicContact CZ3-CZ3 4.42Å; V95-W153 HydrophobicContact CG2-CH2 4.32Å; L134-W153 HydrophobicContact CD2-CB 3.5Å; L134-W153 VanDerWaalsContact CD2-CB 3.5Å; L134-W153 HydrophobicContact CD2-CG 4.5Å; F137-W153 HydrophobicContact CD2-CE3 4.32Å; F137-W153 HydrophobicContact CD2-CZ3 4.35Å; F137-W153 HydrophobicContact CE2-CE3 4.29Å; F137-W153 HydrophobicContact CE2-CH2 4.5Å; F137-W153 AromaticContact CE2-CZ3 3.97Å; F137-W153 HydrophobicContact CE2-CZ3 3.97Å; F145-W153 HydrophobicContact CE1-CB 4.44Å; F145-W153 AromaticContact CE1-CD1 3.47Å; F145-W153 VanDerWaalsContact CE1-CD1 3.47Å; F145-W153 AromaticContact CE1-CD2 3.83Å; F145-W153 HydrophobicContact CE1-CD2 3.83Å; F145-W153 AromaticContact CE1-CE2 3.76Å; F145-W153 AromaticContact CE1-CG 3.67Å; F145-W153 HydrophobicContact CE1-CG 3.67Å; F145-W153 AromaticContact CE1-NE1 3.48Å; F145-W153 HydrophobicContact CZ-CD2 4.15Å; F145-W153 AromaticContact CZ-CE2 3.65Å; F145-W153 HydrophobicContact CZ-CG 4.38Å; F145-W153 HydrophobicContact CZ-CZ2 4.07Å; F145-W153 AromaticContact CZ-NE1 3.54Å; V149-W153 VanDerWaalsContact CG1-CD1 3.48Å; V149-W153 VanDerWaalsContact O-CD1 3.3Å; V149-W153 PolarHBondContact O-N 2.98Å; Q150-W153 PolarHBondContact O-N 2.9Å; W153-K155 VanDerWaalsContact C-N 3.31Å; W153-K155 PolarHBondContact O-N 2.87Å; W153-L156 HydrophobicContact CE3-CD2 4.08Å; W153-L156 HydrophobicContact CH2-CD2 4.42Å; W153-L156 HydrophobicContact CZ3-CD2 3.86Å; W153-L156 PolarHBondContact O-N 3.26Å; W153-M157 HydrophobicContact CE3-CE 3.81Å; W153-M157 HydrophobicContact CZ3-CE 3.88Å; W153-M157 WeakPolarHBondContact O-CG 3.5Å; W153-M157 PolarHBondContact O-N 2.68Å
154T97.8Very high97.1Very high78 Ų7848.4 Ų48.448%0.47926%0.255SS..Hα-helixtrans-60.3-40.6173.7-600000111.2Q150 M151 V152 M157 G158Q150-T154 WeakPolarHBondContact O-CB 3.35Å; Q150-T154 PolarHBondContact O-N 3.38Å; Q150-T154 PolarHBondContact O-OG1 3.36Å; M151-T154 WeakPolarHBondContact O-CB 3.41Å; M151-T154 PolarHBondContact O-N 3.15Å; V152-T154 VanDerWaalsContact C-N 3.29Å; V152-T154 PolarHBondContact O-N 3.5Å; T154-M157 PolarHBondContact O-N 3.46Å; T154-G158 PolarHBondContact O-N 2.92Å
155K97.2Very high97Very high69 Ų6946.3 Ų46.330%0.325%0.248SC..Hα-helixtrans-62.9-43174-66.9-176.5177.9-172.70112.3E19 L21 E25 M151 V152 W153 G158 T159E19-K155 IonicContact OE2-NZ 2.77Å; L21-K155 HydrophobicContact CD2-CB 3.87Å; E25-K155 WeakPolarHBondContact OE1-CD 3.09Å; E25-K155 WeakPolarHBondContact OE1-CE 3.41Å; E25-K155 IonicContact OE1-NZ 3.75Å; E25-K155 PolarHBondContact OE1-NZ 3.4Å; M151-K155 PolarHBondContact O-N 3.08Å; M151-K155 VanDerWaalsContact O-N 3.16Å; V152-K155 WeakPolarHBondContact O-CB 3.44Å; V152-K155 PolarHBondContact O-N 2.96Å; V152-K155 VanDerWaalsContact O-N 3.16Å; W153-K155 VanDerWaalsContact C-N 3.31Å; W153-K155 PolarHBondContact O-N 2.87Å; K155-G158 PolarHBondContact O-N 2.67Å; K155-T159 PolarHBondContact O-N 3.4Å; K155-T159 PolarHBondContact O-OG1 2.73Å
156L97.7Very high96.9Very high3 Ų347.5 Ų47.52%0.01626%0.261CS..Hα-helixtrans-60.7-47.8174.9174.260.2000111.3L21 I29 V94 V95 L98 V152 W153 G158 T159 V160L21-L156 HydrophobicContact CD1-CB 4.31Å; L21-L156 HydrophobicContact CD1-CD1 4.12Å; I29-L156 HydrophobicContact CD1-CB 3.95Å; I29-L156 HydrophobicContact CD1-CD2 4.14Å; I29-L156 HydrophobicContact CG1-CD2 4.48Å; I29-L156 HydrophobicContact CG2-CD2 3.73Å; V94-L156 HydrophobicContact CG1-CD1 4.1Å; V95-L156 HydrophobicContact CG2-CD2 4.22Å; L98-L156 HydrophobicContact CD2-CD1 3.79Å; V152-L156 PolarHBondContact O-N 2.99Å; V152-L156 VanDerWaalsContact O-N 3.16Å; W153-L156 HydrophobicContact CE3-CD2 4.08Å; W153-L156 HydrophobicContact CH2-CD2 4.42Å; W153-L156 HydrophobicContact CZ3-CD2 3.86Å; W153-L156 PolarHBondContact O-N 3.26Å; L156-G158 VanDerWaalsContact C-N 3.29Å; L156-G158 PolarHBondContact O-N 3.25Å; L156-T159 CarbonylContact O-C 3.6Å; L156-T159 WeakPolarHBondContact O-CA 3.38Å; L156-T159 VanDerWaalsContact O-CB 3.31Å; L156-T159 WeakPolarHBondContact O-CB 3.29Å; L156-T159 PolarHBondContact O-N 2.97Å; L156-V160 HydrophobicContact CD1-CG2 4.29Å; L156-V160 HydrophobicContact CG-CG2 4.5Å; L156-V160 WeakPolarHBondContact O-CG2 3.39Å; L156-V160 PolarHBondContact O-N 2.87Å
157M97.5Very high96.9Very high7 Ų744.3 Ų44.33%0.03424%0.242CC..Hα-helixtrans-62.9-36179.2-71.3-56.4169.200112.3C130 M133 L134 F137 W153 T154 V160 Y161C130-M157 HydrophobicContact CB-CB 4.03Å; C130-M157 HydrophobicContact CB-CG 4.33Å; C130-M157 HydrophobicContact CB-SD 4.14Å; M133-M157 HydrophobicContact CB-CE 4.07Å; M133-M157 HydrophobicContact SD-CE 3.89Å; M133-M157 HydrophobicContact SD-SD 4.31Å; L134-M157 HydrophobicContact CD1-CB 4.3Å; L134-M157 HydrophobicContact CD1-CG 4.11Å; L134-M157 HydrophobicContact CD2-CG 3.87Å; L134-M157 HydrophobicContact CG-CG 3.95Å; F137-M157 HydrophobicContact CE2-CE 4.12Å; W153-M157 HydrophobicContact CE3-CE 3.81Å; W153-M157 HydrophobicContact CZ3-CE 3.88Å; W153-M157 WeakPolarHBondContact O-CG 3.5Å; W153-M157 PolarHBondContact O-N 2.68Å; T154-M157 PolarHBondContact O-N 3.46Å; M157-V160 PolarHBondContact O-N 3.47Å; M157-Y161 WeakPolarHBondContact O-CB 3.39Å; M157-Y161 PolarHBondContact O-N 3.49Å
158G95.9Very high96.9Very high34 Ų3441 Ų4135%0.35121%0.213SC..Hα-helixtrans-60.9-42.9169.700000112.6T154 K155 L156 Y161 W162T154-G158 PolarHBondContact O-N 2.92Å; K155-G158 PolarHBondContact O-N 2.67Å; L156-G158 VanDerWaalsContact C-N 3.29Å; L156-G158 PolarHBondContact O-N 3.25Å; G158-Y161 PolarHBondContact O-N 2.99Å; G158-W162 VanDerWaalsContact O-CB 3.31Å; G158-W162 WeakPolarHBondContact O-CB 3.38Å; G158-W162 PolarHBondContact O-N 3.02Å
159T95.7Very high96.8Very high22 Ų2239.7 Ų39.714%0.13522%0.215CC..Hα-helixtrans-63.1-44.9175.2-59.30000111.7K155 L156 W162 H163K155-T159 PolarHBondContact O-N 3.4Å; K155-T159 PolarHBondContact O-OG1 2.73Å; L156-T159 CarbonylContact O-C 3.6Å; L156-T159 WeakPolarHBondContact O-CA 3.38Å; L156-T159 VanDerWaalsContact O-CB 3.31Å; L156-T159 WeakPolarHBondContact O-CB 3.29Å; L156-T159 PolarHBondContact O-N 2.97Å; T159-W162 PolarHBondContact O-N 2.88Å; T159-H163 PolarHBondContact O-CD2 3.36Å; T159-H163 VanDerWaalsContact O-CD2 3.28Å; T159-H163 PolarHBondContact O-N 3.12Å
160V96.8Very high96.7Very high9 Ų945.2 Ų45.26%0.05524%0.239CC..Hα-helixtrans-57.4-52.1176168.60000110.7L108 L156 M157 W162 H163 V164L108-V160 HydrophobicContact CD1-CG2 4.38Å; L108-V160 HydrophobicContact CD2-CB 4.48Å; L108-V160 HydrophobicContact CD2-CG1 3.99Å; L108-V160 HydrophobicContact CD2-CG2 4.33Å; L156-V160 HydrophobicContact CD1-CG2 4.29Å; L156-V160 HydrophobicContact CG-CG2 4.5Å; L156-V160 WeakPolarHBondContact O-CG2 3.39Å; L156-V160 PolarHBondContact O-N 2.87Å; M157-V160 PolarHBondContact O-N 3.47Å; V160-W162 VanDerWaalsContact C-N 3.35Å; V160-W162 PolarHBondContact O-N 3.04Å; V160-H163 PolarHBondContact O-N 3.25Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 3.43Å
161Y96.6Very high96.6Very high64 Ų6444.3 Ų44.325%0.25124%0.239SC..Hα-helixtrans-60.4-43.5178.7177-110.5000112.1F126 K127 M157 G158 V164 T165F126-Y161 HydrophobicContact CB-CD2 4.05Å; F126-Y161 HydrophobicContact CB-CE2 4.48Å; K127-Y161 HydrophobicContact CB-CD2 3.92Å; K127-Y161 HydrophobicContact CB-CE2 3.63Å; M157-Y161 WeakPolarHBondContact O-CB 3.39Å; M157-Y161 PolarHBondContact O-N 3.49Å; G158-Y161 PolarHBondContact O-N 2.99Å; Y161-V164 PolarHBondContact O-N 3.41Å; Y161-T165 HydrophobicContact CD2-CG2 3.85Å; Y161-T165 HydrophobicContact CE1-CG2 4.18Å; Y161-T165 HydrophobicContact CE2-CG2 3.34Å; Y161-T165 HydrophobicContact CG-CG2 4.45Å; Y161-T165 WeakPolarHBondContact O-CB 3.46Å; Y161-T165 WeakPolarHBondContact O-CG2 3.42Å; Y161-T165 PolarHBondContact O-N 3.27Å; Y161-T165 PolarHBondContact O-OG1 2.8Å
162W95.3Very high96.5Very high102 Ų10240.8 Ų40.839%0.38624%0.236SC..Hα-helixtrans-58.9-50.5178.6177.6-106.3000112.3G15 A18 G158 T159 V160 T165 G166G15-W162 WeakPolarHBondContact O-CH2 3.47Å; G15-W162 WeakPolarHBondContact O-CZ3 3.2Å; A18-W162 HydrophobicContact CB-CB 4.32Å; G158-W162 VanDerWaalsContact O-CB 3.31Å; G158-W162 WeakPolarHBondContact O-CB 3.38Å; G158-W162 PolarHBondContact O-N 3.02Å; T159-W162 PolarHBondContact O-N 2.88Å; V160-W162 VanDerWaalsContact C-N 3.35Å; V160-W162 PolarHBondContact O-N 3.04Å; W162-T165 PolarHBondContact O-N 2.78Å; W162-T165 PolarHBondContact O-OG1 3.39Å; W162-T165 VanDerWaalsContact O-OG1 3.12Å; W162-G166 PolarHBondContact O-N 3.16Å
163H96.3Very high96.2Very high55 Ų5543.2 Ų43.226%0.25524%0.244SC..Hα-helixtrans-65.3-41.5178.8-81-76.3000112.6L108 T159 V160 G166 A167L108-H163 HydrophobicContact CB-CB 3.62Å; L108-H163 HydrophobicContact CD1-CB 3.67Å; L108-H163 HydrophobicContact CG-CB 4.29Å; T159-H163 PolarHBondContact O-CD2 3.36Å; T159-H163 VanDerWaalsContact O-CD2 3.28Å; T159-H163 PolarHBondContact O-N 3.12Å; V160-H163 PolarHBondContact O-N 3.25Å; H163-G166 PolarHBondContact O-N 3.48Å; H163-A167 PolarHBondContact O-N 3.16Å
164V96.9Very high95.3Very high1 Ų148.5 Ų48.51%0.00628%0.276CS..Hα-helixtrans-62.4-48.4178.1168.40000110.5L108 F126 V160 Y161 G166 A167 Y168L108-V164 HydrophobicContact CB-CG2 4.5Å; L108-V164 HydrophobicContact CD2-CG2 4.25Å; F126-V164 HydrophobicContact CB-CG1 4.48Å; F126-V164 HydrophobicContact CD1-CB 4.4Å; F126-V164 HydrophobicContact CD1-CG1 3.77Å; F126-V164 HydrophobicContact CD1-CG2 4.24Å; F126-V164 HydrophobicContact CD2-CG1 3.82Å; F126-V164 HydrophobicContact CE1-CG1 3.82Å; F126-V164 HydrophobicContact CE1-CG2 4.2Å; F126-V164 HydrophobicContact CE2-CG1 3.87Å; F126-V164 HydrophobicContact CG-CG1 3.75Å; F126-V164 HydrophobicContact CZ-CG1 3.86Å; V160-V164 WeakPolarHBondContact O-CB 3.36Å; V160-V164 WeakPolarHBondContact O-CG2 3.47Å; V160-V164 PolarHBondContact O-N 3.43Å; Y161-V164 PolarHBondContact O-N 3.41Å; V164-G166 PolarHBondContact O-N 3.42Å; V164-A167 WeakPolarHBondContact O-CB 3.39Å; V164-A167 PolarHBondContact O-N 3.16Å; V164-A167 VanDerWaalsContact O-N 3.12Å; V164-Y168 HydrophobicContact CG1-CD2 4.08Å; V164-Y168 HydrophobicContact CG1-CE2 3.88Å; V164-Y168 VanDerWaalsContact O-CD2 3.26Å; V164-Y168 WeakPolarHBondContact O-CD2 3.43Å; V164-Y168 PolarHBondContact O-N 2.9Å
165T95Very high93.6Very high24 Ų2451.6 Ų51.615%0.14729%0.285CS..Hα-helixtrans-67.9-34.3179.550.70000113.1P123 Y161 W162 A167 Y168 T169P123-T165 HydrophobicContact CB-CG2 4.18Å; Y161-T165 HydrophobicContact CD2-CG2 3.85Å; Y161-T165 HydrophobicContact CE1-CG2 4.18Å; Y161-T165 HydrophobicContact CE2-CG2 3.34Å; Y161-T165 HydrophobicContact CG-CG2 4.45Å; Y161-T165 WeakPolarHBondContact O-CB 3.46Å; Y161-T165 WeakPolarHBondContact O-CG2 3.42Å; Y161-T165 PolarHBondContact O-N 3.27Å; Y161-T165 PolarHBondContact O-OG1 2.8Å; W162-T165 PolarHBondContact O-N 2.78Å; W162-T165 PolarHBondContact O-OG1 3.39Å; W162-T165 VanDerWaalsContact O-OG1 3.12Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.38Å; T165-Y168 VanDerWaalsContact O-CB 3.3Å; T165-Y168 WeakPolarHBondContact O-CB 3.45Å; T165-Y168 PolarHBondContact O-N 3.17Å; T165-Y168 VanDerWaalsContact O-N 3.16Å; T165-T169 PolarHBondContact O-N 2.83Å; T165-T169 PolarHBondContact O-OG1 2.84Å
166G95.4Very high91.4Very high29 Ų2956 Ų5630%0.29931%0.311SS..Hα-helixtrans-56.2-45167.900000112W162 H163 V164 Y168 T169 E170W162-G166 PolarHBondContact O-N 3.16Å; H163-G166 PolarHBondContact O-N 3.48Å; V164-G166 PolarHBondContact O-N 3.42Å; G166-Y168 VanDerWaalsContact C-N 3.29Å; G166-Y168 PolarHBondContact O-N 3.06Å; G166-T169 WeakPolarHBondContact O-CB 3.4Å; G166-T169 PolarHBondContact O-N 3.24Å; G166-T169 VanDerWaalsContact O-N 3.14Å; G166-E170 WeakPolarHBondContact O-CG 3.46Å; G166-E170 PolarHBondContact O-N 2.87Å
167A97Very high88.7Confident2 Ų260.2 Ų60.22%0.01734%0.341CS..Hα-helixtrans-65.3-30.3177.100000113.5A109 K113 H163 V164 T165 V171A109-A167 HydrophobicContact CB-CB 4.37Å; K113-A167 HydrophobicContact CG-CB 4.23Å; H163-A167 PolarHBondContact O-N 3.16Å; V164-A167 WeakPolarHBondContact O-CB 3.39Å; V164-A167 PolarHBondContact O-N 3.16Å; V164-A167 VanDerWaalsContact O-N 3.12Å; T165-A167 VanDerWaalsContact C-N 3.29Å; T165-A167 PolarHBondContact O-N 3.38Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 3.18Å
168Y97.3Very high86.1Confident4 Ų465.1 Ų65.12%0.01638%0.376CS..Hα-helixtrans-64.9-46.6170.2-89.8-117.1000111.3G112 H115 A116 V121 P123 F126 V164 T165 G166 E170 V171 G172 W173G112-Y168 VanDerWaalsContact O-CE2 3.32Å; G112-Y168 WeakPolarHBondContact O-CE2 3.29Å; H115-Y168 HydrophobicContact CB-CE2 4.23Å; H115-Y168 VanDerWaalsContact CB-OH 3.3Å; H115-Y168 WeakPolarHBondContact CB-OH 3.36Å; A116-Y168 HydrophobicContact CB-CD1 3.71Å; A116-Y168 HydrophobicContact CB-CD2 3.85Å; A116-Y168 HydrophobicContact CB-CE1 3.7Å; A116-Y168 HydrophobicContact CB-CE2 3.88Å; A116-Y168 HydrophobicContact CB-CG 3.78Å; A116-Y168 PolarHBondContact N-OH 3.11Å; V121-Y168 WeakPolarHBondContact O-CE1 3.42Å; V121-Y168 PolarHBondContact O-OH 2.85Å; P123-Y168 HydrophobicContact CB-CD1 3.83Å; P123-Y168 HydrophobicContact CB-CE1 3.87Å; P123-Y168 HydrophobicContact CB-CG 4.31Å; P123-Y168 HydrophobicContact CG-CD1 4.03Å; P123-Y168 HydrophobicContact CG-CE1 4.18Å; F126-Y168 HydrophobicContact CD2-CE2 4.49Å; F126-Y168 HydrophobicContact CE2-CE2 4.02Å; F126-Y168 WeakPolarHBondContact CE2-OH 3.43Å; V164-Y168 HydrophobicContact CG1-CD2 4.08Å; V164-Y168 HydrophobicContact CG1-CE2 3.88Å; V164-Y168 VanDerWaalsContact O-CD2 3.26Å; V164-Y168 WeakPolarHBondContact O-CD2 3.43Å; V164-Y168 PolarHBondContact O-N 2.9Å; T165-Y168 VanDerWaalsContact O-CB 3.3Å; T165-Y168 WeakPolarHBondContact O-CB 3.45Å; T165-Y168 PolarHBondContact O-N 3.17Å; T165-Y168 VanDerWaalsContact O-N 3.16Å; G166-Y168 VanDerWaalsContact C-N 3.29Å; G166-Y168 PolarHBondContact O-N 3.06Å; Y168-E170 VanDerWaalsContact C-N 3.34Å; Y168-E170 PolarHBondContact O-N 3.05Å; Y168-V171 VanDerWaalsContact O-CG2 3.23Å; Y168-V171 WeakPolarHBondContact O-CG2 3.48Å; Y168-V171 PolarHBondContact O-N 3.14Å; Y168-G172 PolarHBondContact O-N 3.01Å; Y168-W173 HydrophobicContact CD1-CB 3.94Å; Y168-W173 AromaticContact CD1-CD1 3.94Å; Y168-W173 AromaticContact CD1-CD2 3.65Å; Y168-W173 HydrophobicContact CD1-CD2 3.65Å; Y168-W173 HydrophobicContact CD1-CE3 4.12Å; Y168-W173 AromaticContact CD1-CG 3.56Å; Y168-W173 HydrophobicContact CD1-CG 3.56Å; Y168-W173 AromaticContact CE1-CD2 3.95Å; Y168-W173 HydrophobicContact CE1-CD2 3.95Å; Y168-W173 HydrophobicContact CE1-CE3 4.16Å; Y168-W173 HydrophobicContact CE1-CG 4.33Å; Y168-W173 HydrophobicContact CE1-CZ2 4.49Å; Y168-W173 HydrophobicContact CG-CB 4.42Å; Y168-W173 HydrophobicContact CG-CG 4.47Å; Y168-W173 WeakPolarHBondContact O-CB 3.45Å; Y168-W173 PolarHBondContact O-N 3.42Å
169T95.3Very high83.2Confident106 Ų10668.5 Ų68.565%0.6539%0.394SS*.Hα-helixtrans-61.6-41.8176.8-560000111.6T165 G166 V171 G172T165-T169 PolarHBondContact O-N 2.83Å; T165-T169 PolarHBondContact O-OG1 2.84Å; G166-T169 WeakPolarHBondContact O-CB 3.4Å; G166-T169 PolarHBondContact O-N 3.24Å; G166-T169 VanDerWaalsContact O-N 3.14Å; T169-V171 PolarHBondContact O-N 3.19Å; T169-G172 PolarHBondContact O-N 3.44Å
170E95.3Very high80.2Confident130 Ų13071.5 Ų71.561%0.60742%0.421SS*.Hα-helixtrans-58.5-32.9178.1-75.9178.5-167.500113.7K113 G166 Y168 G172K113-E170 WeakPolarHBondContact CE-OE2 3.47Å; K113-E170 IonicContact NZ-OE2 3.96Å; K113-E170 PolarHBondContact NZ-OE2 3.34Å; G166-E170 WeakPolarHBondContact O-CG 3.46Å; G166-E170 PolarHBondContact O-N 2.87Å; Y168-E170 VanDerWaalsContact C-N 3.34Å; Y168-E170 PolarHBondContact O-N 3.05Å; E170-G172 VanDerWaalsContact C-N 3.28Å
171V96.3Very high77.3Confident57 Ų5781.3 Ų81.335%0.34548%0.48SS..THydrogen-bonded Turntrans-91.911.8178-60.10000113.1K113 A116 V117 A167 Y168 T169K113-V171 HydrophobicContact CB-CG1 4.38Å; K113-V171 HydrophobicContact CD-CG1 4.18Å; K113-V171 HydrophobicContact CG-CG1 3.71Å; A116-V171 HydrophobicContact CB-CG2 3.71Å; V117-V171 HydrophobicContact CG2-CB 3.87Å; V117-V171 HydrophobicContact CG2-CG1 3.98Å; V117-V171 HydrophobicContact CG2-CG2 3.88Å; A167-V171 WeakPolarHBondContact O-CG2 3.42Å; A167-V171 PolarHBondContact O-N 3.18Å; Y168-V171 VanDerWaalsContact O-CG2 3.23Å; Y168-V171 WeakPolarHBondContact O-CG2 3.48Å; Y168-V171 PolarHBondContact O-N 3.14Å; T169-V171 PolarHBondContact O-N 3.19Å
172G94.1Very high76.4Confident54 Ų5482.2 Ų82.256%0.55749%0.492SS*.THydrogen-bonded Turntrans74.227.9176.500000113.8Y168 T169 E170 V174Y168-G172 PolarHBondContact O-N 3.01Å; T169-G172 PolarHBondContact O-N 3.44Å; E170-G172 VanDerWaalsContact C-N 3.28Å; G172-V174 PolarHBondContact O-N 2.71Å
173W92.7Very high75.4Confident57 Ų5781.1 Ų81.122%0.21650%0.497CS..  trans-66.1102.7170.6-168.7-83000109.4A116 K120 Y168 Q175A116-W173 HydrophobicContact CB-CE3 4.05Å; A116-W173 VanDerWaalsContact O-CZ3 3.23Å; A116-W173 WeakPolarHBondContact O-CZ3 3.37Å; K120-W173 HydrophobicContact CB-CH2 4.43Å; K120-W173 HydrophobicContact CD-CZ3 4.28Å; Y168-W173 HydrophobicContact CD1-CB 3.94Å; Y168-W173 AromaticContact CD1-CD1 3.94Å; Y168-W173 AromaticContact CD1-CD2 3.65Å; Y168-W173 HydrophobicContact CD1-CD2 3.65Å; Y168-W173 HydrophobicContact CD1-CE3 4.12Å; Y168-W173 AromaticContact CD1-CG 3.56Å; Y168-W173 HydrophobicContact CD1-CG 3.56Å; Y168-W173 AromaticContact CE1-CD2 3.95Å; Y168-W173 HydrophobicContact CE1-CD2 3.95Å; Y168-W173 HydrophobicContact CE1-CE3 4.16Å; Y168-W173 HydrophobicContact CE1-CG 4.33Å; Y168-W173 HydrophobicContact CE1-CZ2 4.49Å; Y168-W173 HydrophobicContact CG-CB 4.42Å; Y168-W173 HydrophobicContact CG-CG 4.47Å; Y168-W173 WeakPolarHBondContact O-CB 3.45Å; Y168-W173 PolarHBondContact O-N 3.42Å; W173-Q175 PolarHBondContact O-N 3.15Å
174V79.6Confident74.2Confident111 Ų11182.6 Ų82.667%0.67351%0.511SS*.  trans-80.4114.1175.1-175.30000107.2G172 L176G172-V174 PolarHBondContact O-N 2.71Å; V174-L176 VanDerWaalsContact C-N 3.34Å; V174-L176 PolarHBondContact O-N 3.18Å
175Q61.6Low72.9Confident144 Ų14487.4 Ų87.467%0.67354%0.541SS*.  trans-60.3105.3160.7-79.8-176-13.100106.2W173 S177W173-Q175 PolarHBondContact O-N 3.15Å; Q175-S177 PolarHBondContact O-N 3.3Å
176L51.2Low71.5Confident160 Ų16091.3 Ų91.384%0.83857%0.565SS**  trans-61.1102.6161.4-71.4170.7000104.6V174 S178V174-L176 VanDerWaalsContact C-N 3.34Å; V174-L176 PolarHBondContact O-N 3.18Å; L176-S178 PolarHBondContact O-N 2.8Å
177S40.7Very low69.9Low93 Ų9395.5 Ų95.565%0.6558%0.583SS**  trans-52.5114.4169.1550000105.8Q175 S179Q175-S177 PolarHBondContact O-N 3.3Å; S177-S179 PolarHBondContact O-N 3.15Å
178S42.4Very low67.9Low110 Ų110102.1 Ų102.177%0.76962%0.623SS**  trans-67.774.9168.1179.20000107.6L176 A180L176-S178 PolarHBondContact O-N 2.8Å; S178-A180 VanDerWaalsContact C-N 3.35Å
179S35.1Very low65.7Low104 Ų104109.7 Ų109.773%0.72767%0.67SS**  trans-104.955.7165.4-54.50000107.1S177S177-S179 PolarHBondContact O-N 3.15Å
180A34.3Very low63.2Low85 Ų85110 Ų11070%0.70267%0.672SS**  trans-169.279.3167.800000110.5S178S178-A180 VanDerWaalsContact C-N 3.35Å
181V35.4Very low60.3Low215 Ų215108.2 Ų108.2100%1.30368%0.678SS**  trans-143.60131.1-166.50000107.5

Retrieved 181 of 181 residues in 1277.6 ms (Link to these results)

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