A0A087XET3_POEFO Loading...

Regulator of G-protein signaling 5-like

AlphaFold DB , UniProt , Accession A0A087XET3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 161 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
1M45.1Very low51.4Low238 Ų238139.2 Ų139.2100%1.17278%0.781SS**  092.40-72.6178.3149.400108.2
2C45.7Very low51.5Low137 Ų137133.6 Ų133.693%0.92676%0.757SS**PPolyproline II helixtrans-101.5128.8-177.7-67.40000110
3K48.3Very low51.4Low209 Ų209131.4 Ų131.491%0.90974%0.741SS**PPolyproline II helixtrans-76.6144-163.4-66.3172.6175.4176.10111.7
4G46.8Very low51.1Low60 Ų60133.3 Ų133.362%0.61974%0.741SS**PPolyproline II helixtrans-69.6161.8-173.800000115.4S6G4-S6 PolarHBondContact O-N 2.81Å; G4-S6 PolarHBondContact O-OG 2.92Å
5L55.9Low51.1Low171 Ų171137 Ų13790%0.89575%0.746SS**SBendtrans-54.161.3-179.5-61.4164.5000114.7
6S55.3Low51.2Low98 Ų98133.2 Ų133.269%0.68574%0.739SS**  trans-10810.5-174.649.70000114.6G4G4-S6 PolarHBondContact O-N 2.81Å; G4-S6 PolarHBondContact O-OG 2.92Å
7Y57.5Low51.2Low227 Ų227135.9 Ų135.989%0.8974%0.741SS**  trans-133.855.3-178.8-97.2-90.6000113.1
8L53Low51.3Low111 Ų111132.3 Ų132.358%0.58174%0.74SS**  trans-113.2125.8167.1-78.5167.5000110.5
9P54.2Low51.2Low78 Ų78133.6 Ų133.651%0.50674%0.742SS.*  trans-57.5144.7175.5-23.232.6000112.3S11 C12P9-S11 PolarHBondContact O-N 2.98Å; P9-S11 VanDerWaalsContact O-N 3.08Å; P9-C12 WeakPolarHBondContact O-CB 3.48Å; P9-C12 PolarHBondContact O-N 3.08Å
10S53.8Low51.1Low108 Ų108139 Ų13976%0.75575%0.75SS**Hα-helixtrans-60.4-19.9-178.339.70000114.2C12S10-C12 VanDerWaalsContact C-N 3.29Å; S10-C12 PolarHBondContact O-N 3.49Å
11S50.3Low50.9Low94 Ų94138.1 Ų138.166%0.65775%0.75SS**Hα-helixtrans-74.7-13.5172.359.70000114.4P9P9-S11 PolarHBondContact O-N 2.98Å; P9-S11 VanDerWaalsContact O-N 3.08Å
12C51.8Low51Low72 Ų72135 Ų13549%0.48673%0.73SS.*Hα-helixtrans-93.7-15.3177.1-63.30000112.9P9 S10P9-C12 WeakPolarHBondContact O-CB 3.48Å; P9-C12 PolarHBondContact O-N 3.08Å; S10-C12 VanDerWaalsContact C-N 3.29Å; S10-C12 PolarHBondContact O-N 3.49Å
13L50.2Low50.7Low105 Ų105135.7 Ų135.755%0.5572%0.723SS.*Hα-helixtrans-91-23.6-179.2-128.2102.6000113.6A16L13-A16 PolarHBondContact O-N 3.44Å
14E48.2Very low50.3Low158 Ų158127.7 Ų127.774%0.73869%0.694SS**G310 helixtrans-74.9-21.5179.9-75.5-111.4123.200113.5
15K49.9Very low50.3Low189 Ų189131.7 Ų131.782%0.82270%0.696SS**G310 helixtrans-88-4.6172.4-81.8-176.5175.8-178.90114.4
16A53.6Low49.6Very low76 Ų76130.4 Ų130.463%0.62869%0.689SS**G310 helixtrans-97.613.6-178.800000114L13L13-A16 PolarHBondContact O-N 3.44Å
17K51.3Low49Very low180 Ų180129.4 Ų129.478%0.78369%0.687SS**G310 helixtrans-102.65.7174.5-72-175.1177.6174.60114.5
18G51.8Low48.1Very low70 Ų70124.3 Ų124.372%0.72267%0.671SS**SBendtrans-119.36.5-173.400000116.5
19M50.3Low47.8Very low158 Ų158125.4 Ų125.478%0.77868%0.677SS**  trans-115.267.2-179.4-80.9170.431.500111.3V21M19-V21 PolarHBondContact O-N 2.99Å
20R49.5Very low47.6Very low240 Ų240129.5 Ų129.591%0.90669%0.689SS**  trans-85.379.4147-72.6-173.1-174.2-174.52.2106.4K22R20-K22 PolarHBondContact O-N 3.41Å
21V46.4Very low47.4Very low122 Ų122132.2 Ų132.274%0.73969%0.689SS**  trans-57.9115.4163-138.30000104.6M19 L23M19-V21 PolarHBondContact O-N 2.99Å; V21-L23 PolarHBondContact O-N 3.5Å
22K47.6Very low46.9Very low172 Ų172136.3 Ų136.375%0.74870%0.695SS**  trans-6093.8177.2-77.5-179.9176.31780107.5R20 S24 H25R20-K22 PolarHBondContact O-N 3.41Å; K22-S24 PolarHBondContact O-N 3.16Å; K22-H25 PolarHBondContact O-N 3.06Å
23L39.9Very low46.4Very low151 Ų151142.1 Ų142.179%0.79172%0.715SS**THydrogen-bonded Turntrans-71.950.9163.5-160.478000108.9V21 L26V21-L23 PolarHBondContact O-N 3.5Å; L23-L26 HydrophobicContact CD1-CD1 4.43Å
24S40Very low45.7Very low41 Ų41144.5 Ų144.529%0.28772%0.721SS.*THydrogen-bonded Turntrans-116.2-30.4165.965.40000109.6K22 L26 A27 E28K22-S24 PolarHBondContact O-N 3.16Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.47Å; S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 VanDerWaalsContact O-N 3.12Å; S24-E28 WeakPolarHBondContact O-CB 3.42Å; S24-E28 VanDerWaalsContact O-CD 3.24Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.48Å; S24-E28 VanDerWaalsContact O-OE2 3.11Å
25H44.8Very low45.7Very low144 Ų144143.3 Ų143.367%0.66772%0.724SS**THydrogen-bonded Turntrans-72.5-11.4-179.4-112.874.5000115.7K22 E28K22-H25 PolarHBondContact O-N 3.06Å; H25-E28 VanDerWaalsContact CA-OE2 3.32Å; H25-E28 WeakPolarHBondContact CA-OE2 3.35Å; H25-E28 IonicContact CE1-OE2 3.78Å; H25-E28 IonicContact CG-OE2 3.37Å; H25-E28 PolarHBondContact N-OE2 3.16Å; H25-E28 IonicContact ND1-OE2 3.16Å; H25-E28 PolarHBondContact ND1-OE2 2.96Å; H25-E28 VanDerWaalsContact ND1-OE2 3.16Å
26L42.8Very low45.3Very low144 Ų144139.9 Ų139.975%0.75471%0.711SS**THydrogen-bonded Turntrans-97.4-13.8171.7-81.4159.9000113.1L23 S24L23-L26 HydrophobicContact CD1-CD1 4.43Å; S24-L26 VanDerWaalsContact C-N 3.28Å; S24-L26 PolarHBondContact O-N 3.47Å
27A41.6Very low45.1Very low78 Ų78144.7 Ų144.765%0.64573%0.726SS**THydrogen-bonded Turntrans-95.2-12.817100000112.1S24 I29S24-A27 PolarHBondContact O-N 3.49Å; S24-A27 VanDerWaalsContact O-N 3.12Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 3.32Å
28E40.1Very low44.9Very low119 Ų119138.4 Ų138.456%0.55671%0.713SS**THydrogen-bonded Turntrans-83.87.7-179.7-79.2159.2166.600114.4S24 H25S24-E28 WeakPolarHBondContact O-CB 3.42Å; S24-E28 VanDerWaalsContact O-CD 3.24Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.48Å; S24-E28 VanDerWaalsContact O-OE2 3.11Å; H25-E28 VanDerWaalsContact CA-OE2 3.32Å; H25-E28 WeakPolarHBondContact CA-OE2 3.35Å; H25-E28 IonicContact CE1-OE2 3.78Å; H25-E28 IonicContact CG-OE2 3.37Å; H25-E28 PolarHBondContact N-OE2 3.16Å; H25-E28 IonicContact ND1-OE2 3.16Å; H25-E28 PolarHBondContact ND1-OE2 2.96Å; H25-E28 VanDerWaalsContact ND1-OE2 3.16Å
29I46.6Very low44.9Very low135 Ų135144 Ų14469%0.69272%0.717SS**THydrogen-bonded Turntrans-86.2-13.9170.5-61.9180000112.1A27A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 3.32Å
30H49.2Very low45.3Very low164 Ų164139.5 Ų139.576%0.75970%0.695SS**SBendtrans-1125.3-170.3-99.2-88.5000117.7
31H49.7Very low45.9Very low165 Ų165128.5 Ų128.576%0.76466%0.655SS**SBendtrans-154.983.4179.1-142.671.7000115.5
32K39.8Very low47.2Very low180 Ų180130.3 Ų130.378%0.78366%0.655SS**  trans139113138.1-83.4-179.1170.3177.70113.4
33Q40.4Very low49.1Very low193 Ų193125.3 Ų125.390%0.90264%0.636SS**  trans151118130.6-84.8176.2-13.700106.7
34K36.6Very low51.7Low155 Ų155118.2 Ų118.267%0.67460%0.599SS**  cis-157.911543.5-147.5175.5-179.1-170.90108.3Q36K34-Q36 VanDerWaalsContact C-N 3.27Å; K34-Q36 HydrophobicContact CB-CG 4.3Å; K34-Q36 HydrophobicContact CD-CG 3.8Å; K34-Q36 HydrophobicContact CG-CG 3.86Å; K34-Q36 VanDerWaalsContact NZ-NE2 3.14Å; K34-Q36 PolarHBondContact O-N 3.44Å
35V47.2Very low54.2Low134 Ų134123.1 Ų123.181%0.81262%0.618SS**  trans-71.196.6159173.70000104.8I40V35-I40 HydrophobicContact CB-CD1 4.39Å; V35-I40 HydrophobicContact CG1-CD1 3.91Å
36Q41.8Very low56.4Low116 Ų116119.1 Ų119.154%0.54260%0.603SS.*  trans-89.7125.2164.3-75.7-172.5-44.300107.1K34 G38 I40K34-Q36 VanDerWaalsContact C-N 3.27Å; K34-Q36 HydrophobicContact CB-CG 4.3Å; K34-Q36 HydrophobicContact CD-CG 3.8Å; K34-Q36 HydrophobicContact CG-CG 3.86Å; K34-Q36 VanDerWaalsContact NZ-NE2 3.14Å; K34-Q36 PolarHBondContact O-N 3.44Å; Q36-G38 PolarHBondContact O-N 3.23Å; Q36-G38 VanDerWaalsContact O-N 3.14Å; Q36-I40 WeakPolarHBondContact O-CD1 3.35Å
37D48.8Very low58.9Low178 Ų178112.2 Ų112.295%0.95257%0.567SS**SBendtrans-57.6109.8-179.7-152.33000109.5
38G47.3Very low61.4Low48 Ų48109.2 Ų109.250%0.49554%0.54SS..SBendtrans163.775.7-170.700000110.7Q36 I40Q36-G38 PolarHBondContact O-N 3.23Å; Q36-G38 VanDerWaalsContact O-N 3.14Å; G38-I40 VanDerWaalsContact C-N 3.27Å; G38-I40 WeakPolarHBondContact O-CA 3.32Å; G38-I40 PolarHBondContact O-N 3.32Å
39K52.5Low63.8Low186 Ų186107 Ų10781%0.80955%0.55SS*.  trans19.863.6170.7-145.7176.9-171.2-176.50114.3L41K39-L41 PolarHBondContact O-N 3.34Å
40I57.7Low65.9Low64 Ų64101.3 Ų101.333%0.32852%0.522SS..  trans-62.1137.2-170.5-61174.5000108.6V35 Q36 G38 Q42V35-I40 HydrophobicContact CB-CD1 4.39Å; V35-I40 HydrophobicContact CG1-CD1 3.91Å; Q36-I40 WeakPolarHBondContact O-CD1 3.35Å; G38-I40 VanDerWaalsContact C-N 3.27Å; G38-I40 WeakPolarHBondContact O-CA 3.32Å; G38-I40 PolarHBondContact O-N 3.32Å; I40-Q42 HydrophobicContact CB-CG 4.31Å; I40-Q42 HydrophobicContact CG2-CG 4.35Å; I40-Q42 WeakPolarHBondContact O-CG 3.36Å; I40-Q42 PolarHBondContact O-N 2.87Å
41L63.3Low67.9Low10 Ų10102 Ų1025%0.05252%0.522CS..  trans-61.280.7169.3-64.2164.3000109.1K39 L47 F148K39-L41 PolarHBondContact O-N 3.34Å; L41-L47 HydrophobicContact CB-CD1 4.44Å; L41-L47 HydrophobicContact CD1-CD1 3.51Å; L41-L47 VanDerWaalsContact CD2-CA 3.48Å; L41-L47 HydrophobicContact CD2-CB 3.9Å; L41-L47 HydrophobicContact CD2-CD1 3.55Å; L41-L47 HydrophobicContact CD2-CG 4.34Å; L41-L47 HydrophobicContact CG-CD1 4Å; L41-F148 HydrophobicContact CD1-CE1 4.42Å
42Q72.9Confident69.9Low160 Ų16097.5 Ų97.575%0.74850%0.503SS*.  trans-80.1-26-174-73.5-176.910.600112.4I40I40-Q42 HydrophobicContact CB-CG 4.31Å; I40-Q42 HydrophobicContact CG2-CG 4.35Å; I40-Q42 WeakPolarHBondContact O-CG 3.36Å; I40-Q42 PolarHBondContact O-N 2.87Å
43D88.6Confident72.4Confident66 Ų6688.9 Ų88.935%0.35347%0.466SS..SBendtrans-144.6165.5179.25351.6000111.2E45 T46 L47D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.18Å; D43-E45 PolarHBondContact OD1-N 3.25Å; D43-T46 PolarHBondContact O-N 3.12Å; D43-T46 WeakPolarHBondContact OD1-CB 3.49Å; D43-T46 PolarHBondContact OD1-N 2.98Å; D43-T46 PolarHBondContact OD1-OG1 2.99Å; D43-L47 PolarHBondContact O-N 3.24Å
44L93.6Very high75Confident3 Ų381 Ų812%0.01643%0.43CS..Hα-helixtrans-65-33.3-179.1179.360.1000111.3L47 L48 F57 Y137 M140 A141 F145L44-L47 HydrophobicContact CD1-CD2 3.74Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L44-L47 PolarHBondContact O-N 3.27Å; L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.94Å; L44-L48 HydrophobicContact CG-CD1 3.97Å; L44-L48 HydrophobicContact CG-CG 4.16Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.04Å; L44-L48 PolarHBondContact O-N 3.27Å; L44-F57 HydrophobicContact CD1-CD1 4.22Å; L44-F57 HydrophobicContact CD1-CE1 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.01Å; L44-Y137 HydrophobicContact CB-CE2 4.15Å; L44-Y137 HydrophobicContact CD2-CD2 3.85Å; L44-Y137 HydrophobicContact CD2-CE2 3.58Å; L44-Y137 HydrophobicContact CD2-CG 4.44Å; L44-Y137 HydrophobicContact CG-CD2 4.37Å; L44-Y137 HydrophobicContact CG-CE2 3.68Å; L44-M140 HydrophobicContact CD2-CB 3.91Å; L44-A141 HydrophobicContact CD2-CB 3.86Å; L44-F145 HydrophobicContact CB-CD1 4.13Å; L44-F145 HydrophobicContact CB-CD2 4.28Å; L44-F145 HydrophobicContact CB-CE1 4.36Å; L44-F145 HydrophobicContact CB-CG 4.09Å; L44-F145 HydrophobicContact CD1-CB 4.31Å; L44-F145 HydrophobicContact CD1-CD2 3.92Å; L44-F145 HydrophobicContact CD1-CG 4.2Å
45E93.4Very high77.8Confident144 Ų14478 Ų7867%0.67342%0.418SS*.Hα-helixtrans-61.7-48.6178.3-174.6175.8-179.700111.6D43 L47 L48 G49 Y137D43-E45 VanDerWaalsContact C-N 3.28Å; D43-E45 PolarHBondContact O-N 3.18Å; D43-E45 PolarHBondContact OD1-N 3.25Å; E45-L47 VanDerWaalsContact C-N 3.25Å; E45-L47 PolarHBondContact O-N 3Å; E45-L48 PolarHBondContact O-N 2.96Å; E45-G49 PolarHBondContact O-N 2.97Å; E45-Y137 PolarHBondContact N-OH 3.13Å
46T91.4Very high80.1Confident59 Ų5972.5 Ų72.536%0.36239%0.386SS..Hα-helixtrans-61.1-36.6176.2-58.20000111.4D43 S50D43-T46 PolarHBondContact O-N 3.12Å; D43-T46 WeakPolarHBondContact OD1-CB 3.49Å; D43-T46 PolarHBondContact OD1-N 2.98Å; D43-T46 PolarHBondContact OD1-OG1 2.99Å; T46-S50 PolarHBondContact O-N 2.92Å
47L93.3Very high82.7Confident0 Ų067 Ų670%036%0.361CS..Hα-helixtrans-63.4-49.9174.5-178.577.5000112.6L41 D43 L44 E45 G49 S50 L54 F57 F145 F148L41-L47 HydrophobicContact CB-CD1 4.44Å; L41-L47 HydrophobicContact CD1-CD1 3.51Å; L41-L47 VanDerWaalsContact CD2-CA 3.48Å; L41-L47 HydrophobicContact CD2-CB 3.9Å; L41-L47 HydrophobicContact CD2-CD1 3.55Å; L41-L47 HydrophobicContact CD2-CG 4.34Å; L41-L47 HydrophobicContact CG-CD1 4Å; D43-L47 PolarHBondContact O-N 3.24Å; L44-L47 HydrophobicContact CD1-CD2 3.74Å; L44-L47 WeakPolarHBondContact O-CB 3.44Å; L44-L47 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.25Å; E45-L47 PolarHBondContact O-N 3Å; L47-G49 VanDerWaalsContact C-N 3.26Å; L47-G49 PolarHBondContact O-N 3.34Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.11Å; L47-L54 PolarHBondContact O-N 2.96Å; L47-F57 HydrophobicContact CD2-CB 3.61Å; L47-F57 HydrophobicContact CD2-CD1 3.81Å; L47-F57 HydrophobicContact CD2-CD2 3.75Å; L47-F57 HydrophobicContact CD2-CE1 4.4Å; L47-F57 HydrophobicContact CD2-CE2 4.36Å; L47-F57 HydrophobicContact CD2-CG 3.44Å; L47-F57 VanDerWaalsContact CD2-CG 3.44Å; L47-F57 HydrophobicContact CG-CB 4.2Å; L47-F57 HydrophobicContact CG-CG 4.49Å; L47-F145 HydrophobicContact CB-CE2 4.29Å; L47-F145 HydrophobicContact CD2-CD2 3.76Å; L47-F145 HydrophobicContact CD2-CE2 3.76Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CE1 3.51Å; L47-F148 HydrophobicContact CD1-CZ 3.88Å; L47-F148 HydrophobicContact CD2-CD1 4.08Å; L47-F148 HydrophobicContact CD2-CE1 3.93Å; L47-F148 HydrophobicContact CG-CE1 4.4Å
48L94.2Very high85.1Confident14 Ų1461 Ų617%0.07333%0.325CS..Hα-helixtrans-67.2-30-178.4-64179.2000111.8L44 E45 S50 L54 F57 L70 W73 Y137L44-L48 HydrophobicContact CD1-CD1 4.19Å; L44-L48 HydrophobicContact CD1-CD2 4.18Å; L44-L48 HydrophobicContact CD1-CG 3.94Å; L44-L48 HydrophobicContact CG-CD1 3.97Å; L44-L48 HydrophobicContact CG-CG 4.16Å; L44-L48 VanDerWaalsContact O-CG 3.25Å; L44-L48 WeakPolarHBondContact O-CG 3.04Å; L44-L48 PolarHBondContact O-N 3.27Å; E45-L48 PolarHBondContact O-N 2.96Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.39Å; L48-L54 HydrophobicContact CD2-CD1 3.66Å; L48-F57 HydrophobicContact CD2-CD1 4.13Å; L48-L70 HydrophobicContact CD2-CD1 3.46Å; L48-L70 VanDerWaalsContact CD2-CD1 3.46Å; L48-W73 HydrophobicContact CB-CH2 4.11Å; L48-W73 HydrophobicContact CB-CZ3 4.13Å; L48-W73 HydrophobicContact CD1-CD2 3.98Å; L48-W73 HydrophobicContact CD1-CE3 3.95Å; L48-W73 HydrophobicContact CD1-CH2 3.83Å; L48-W73 HydrophobicContact CD1-CZ2 3.84Å; L48-W73 HydrophobicContact CD1-CZ3 3.87Å; L48-W73 HydrophobicContact CG-CZ3 4.46Å; L48-Y137 HydrophobicContact CD1-CD2 4.09Å; L48-Y137 HydrophobicContact CD1-CE2 3.9Å
49G91.3Very high87.4Confident73 Ų7359.8 Ų59.875%0.75331%0.312SS*.Hα-helixtrans-73.5-15.2172.800000114.9E45 L47E45-G49 PolarHBondContact O-N 2.97Å; L47-G49 VanDerWaalsContact C-N 3.26Å; L47-G49 PolarHBondContact O-N 3.34Å
50S90.6Very high89.6Confident15 Ų1551.2 Ų51.211%0.10528%0.275CS..  trans-92.7125.8176.4171.20000111.4T46 L47 L48 I52 G53 L54 Y161T46-S50 PolarHBondContact O-N 2.92Å; L47-S50 PolarHBondContact O-N 3.36Å; L47-S50 VanDerWaalsContact O-N 3.11Å; L48-S50 VanDerWaalsContact C-N 3.3Å; L48-S50 PolarHBondContact O-N 3.39Å; S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 3.47Å; S50-I52 PolarHBondContact OG-N 2.89Å; S50-G53 PolarHBondContact O-N 3.26Å; S50-G53 PolarHBondContact OG-N 3.15Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 PolarHBondContact O-N 3.3Å; S50-Y161 WeakPolarHBondContact CB-OH 3.47Å; S50-Y161 PolarHBondContact OG-OH 3.43Å
51K90.9Very high91.5Very high178 Ų17848.1 Ų48.177%0.77426%0.259SS*.Hα-helixtrans-57.7-42.1174.3-172.2177.8-179.6-178.90112.4Q55K51-Q55 WeakPolarHBondContact O-CG 3.37Å; K51-Q55 PolarHBondContact O-N 2.84Å
52I91.4Very high93.2Very high71 Ų7154.2 Ų54.236%0.36428%0.282SS..Hα-helixtrans-71.9-46.8179.9-62.5174.6000109.8S50 L54 Q55 A56 A157 A160 Y161S50-I52 VanDerWaalsContact C-N 3.29Å; S50-I52 PolarHBondContact O-N 3.47Å; S50-I52 PolarHBondContact OG-N 2.89Å; I52-L54 PolarHBondContact O-N 3.45Å; I52-Q55 PolarHBondContact O-N 2.81Å; I52-A56 PolarHBondContact O-N 3.41Å; I52-A157 HydrophobicContact CG2-CB 4.39Å; I52-A160 HydrophobicContact CG2-CB 4.36Å; I52-Y161 HydrophobicContact CB-CE2 4.28Å; I52-Y161 HydrophobicContact CG2-CE2 4.31Å
53G92.1Very high94.3Very high0 Ų049.7 Ų49.70%027%0.268CS..Hα-helixtrans-59.1-46.4178.600000112.3S50 Q55 A56 F57S50-G53 PolarHBondContact O-N 3.26Å; S50-G53 PolarHBondContact OG-N 3.15Å; G53-Q55 PolarHBondContact O-N 2.67Å; G53-A56 PolarHBondContact O-N 3.27Å; G53-F57 WeakPolarHBondContact O-CB 3.49Å; G53-F57 PolarHBondContact O-N 2.74Å
54L95.1Very high94.7Very high26 Ų2649.7 Ų49.714%0.13627%0.266CS..Hα-helixtrans-58.4-46.1176-177.268.8000112.3L47 L48 S50 I52 F57 R58 L70 L74L47-L54 PolarHBondContact O-N 2.96Å; L48-L54 HydrophobicContact CD2-CD1 3.66Å; S50-L54 WeakPolarHBondContact O-CB 3.45Å; S50-L54 PolarHBondContact O-N 3.3Å; I52-L54 PolarHBondContact O-N 3.45Å; L54-F57 PolarHBondContact O-N 2.87Å; L54-R58 WeakPolarHBondContact O-CB 3.15Å; L54-R58 PolarHBondContact O-N 2.59Å; L54-L70 HydrophobicContact CD1-CD1 3.81Å; L54-L70 HydrophobicContact CD1-CD2 4.04Å; L54-L70 HydrophobicContact CD1-CG 4.38Å; L54-L74 HydrophobicContact CD1-CD1 4.38Å; L54-L74 HydrophobicContact CD1-CD2 4.31Å; L54-L74 HydrophobicContact CD2-CD2 4.32Å
55Q95.5Very high94.9Very high94 Ų9458.3 Ų58.344%0.43930%0.303SS..Hα-helixtrans-66.4-39.9178.4-70.4-45.9-63.500112.3K51 I52 G53 R58 G59K51-Q55 WeakPolarHBondContact O-CG 3.37Å; K51-Q55 PolarHBondContact O-N 2.84Å; I52-Q55 PolarHBondContact O-N 2.81Å; G53-Q55 PolarHBondContact O-N 2.67Å; Q55-R58 PolarHBondContact O-N 3.08Å; Q55-G59 PolarHBondContact O-N 3.36Å
56A95.8Very high95.1Very high17 Ų1752.2 Ų52.214%0.1428%0.276CS..Hα-helixtrans-64.8-42.1175.800000111.8I52 G53 G59 F60 F148 A157I52-A56 PolarHBondContact O-N 3.41Å; G53-A56 PolarHBondContact O-N 3.27Å; A56-G59 PolarHBondContact O-N 2.76Å; A56-F60 PolarHBondContact O-N 3.43Å; A56-F148 HydrophobicContact CB-CE2 4.08Å; A56-F148 HydrophobicContact CB-CZ 4.15Å; A56-A157 HydrophobicContact CB-CB 3.56Å
57F97Very high95.4Very high0 Ų052 Ų520%027%0.271CS..Hα-helixtrans-65.7-41.9177.3-168.9-129.3000111.8L44 L47 L48 G53 L54 G59 F60 L61 L70 M140 F145 F148L44-F57 HydrophobicContact CD1-CD1 4.22Å; L44-F57 HydrophobicContact CD1-CE1 3.7Å; L44-F57 HydrophobicContact CD1-CZ 4.01Å; L47-F57 HydrophobicContact CD2-CB 3.61Å; L47-F57 HydrophobicContact CD2-CD1 3.81Å; L47-F57 HydrophobicContact CD2-CD2 3.75Å; L47-F57 HydrophobicContact CD2-CE1 4.4Å; L47-F57 HydrophobicContact CD2-CE2 4.36Å; L47-F57 HydrophobicContact CD2-CG 3.44Å; L47-F57 VanDerWaalsContact CD2-CG 3.44Å; L47-F57 HydrophobicContact CG-CB 4.2Å; L47-F57 HydrophobicContact CG-CG 4.49Å; L48-F57 HydrophobicContact CD2-CD1 4.13Å; G53-F57 WeakPolarHBondContact O-CB 3.49Å; G53-F57 PolarHBondContact O-N 2.74Å; L54-F57 PolarHBondContact O-N 2.87Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.36Å; F57-F60 HydrophobicContact CD2-CD1 4.1Å; F57-F60 HydrophobicContact CE2-CD1 4.04Å; F57-F60 HydrophobicContact CE2-CE1 4.42Å; F57-F60 WeakPolarHBondContact O-CB 3.4Å; F57-F60 PolarHBondContact O-N 3.19Å; F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CD1-CG 4.46Å; F57-L61 HydrophobicContact CD2-CG 4.45Å; F57-L61 HydrophobicContact CE1-CD1 3.67Å; F57-L61 HydrophobicContact CE1-CD2 4.47Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD2 4.15Å; F57-L61 HydrophobicContact CE2-CG 4.22Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 4Å; F57-L61 HydrophobicContact CZ-CD2 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.11Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 2.92Å; F57-L70 HydrophobicContact CD1-CD1 4.49Å; F57-L70 HydrophobicContact CD1-CD2 4.22Å; F57-M140 HydrophobicContact CE1-SD 3.94Å; F57-M140 HydrophobicContact CZ-CB 4.41Å; F57-M140 HydrophobicContact CZ-SD 4.44Å; F57-F145 HydrophobicContact CE2-CB 4.49Å; F57-F145 HydrophobicContact CZ-CB 4.44Å; F57-F148 HydrophobicContact CB-CE2 4.33Å; F57-F148 HydrophobicContact CB-CZ 4.47Å; F57-F148 HydrophobicContact CD2-CB 3.73Å; F57-F148 AromaticContact CD2-CD1 3.98Å; F57-F148 HydrophobicContact CD2-CD1 3.98Å; F57-F148 AromaticContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CE2 4.36Å; F57-F148 AromaticContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CE2-CB 3.73Å; F57-F148 HydrophobicContact CE2-CG 4.06Å
58R97.9Very high95.7Very high52 Ų5253.8 Ų53.820%0.19628%0.28CS..Hα-helixtrans-57.2-46.6172.1-179.3-179.3-85159.5-10.1111.8L54 Q55 F60 L61 R62 L70 E71 L74L54-R58 WeakPolarHBondContact O-CB 3.15Å; L54-R58 PolarHBondContact O-N 2.59Å; Q55-R58 PolarHBondContact O-N 3.08Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.41Å; R58-L61 PolarHBondContact O-N 2.92Å; R58-R62 PolarHBondContact O-N 3.43Å; R58-L70 HydrophobicContact CB-CD2 3.72Å; R58-L70 HydrophobicContact CG-CD2 4.35Å; R58-E71 IonicContact CZ-OE1 3.69Å; R58-E71 IonicContact NE-OE1 2.73Å; R58-E71 PolarHBondContact NE-OE1 2.93Å; R58-E71 IonicContact NH2-OE1 3.37Å; R58-E71 PolarHBondContact NH2-OE1 2.97Å; R58-E71 IonicContact NH2-OE2 3.66Å; R58-E71 PolarHBondContact NH2-OE2 3.22Å; R58-E71 VanDerWaalsContact NH2-OE2 3.13Å; R58-L74 VanDerWaalsContact NH2-CD1 3.32Å
59G97.4Very high95.9Very high23 Ų2353.5 Ų53.524%0.23728%0.278CS..Hα-helixtrans-59.2-43.4176.600000112.5Q55 A56 F57 R62 S63Q55-G59 PolarHBondContact O-N 3.36Å; A56-G59 PolarHBondContact O-N 2.76Å; F57-G59 VanDerWaalsContact C-N 3.34Å; F57-G59 PolarHBondContact O-N 3.36Å; G59-R62 PolarHBondContact O-N 3.24Å; G59-S63 PolarHBondContact O-N 3.16Å; G59-S63 VanDerWaalsContact O-N 3.1Å
60F98Very high96.2Very high6 Ų650 Ų503%0.02624%0.242CC..Hα-helixtrans-60.8-50.9174.8169.3-98.2000112.6A56 F57 R58 R62 S63 E64 S144 R147 F148 H153A56-F60 PolarHBondContact O-N 3.43Å; F57-F60 HydrophobicContact CD2-CD1 4.1Å; F57-F60 HydrophobicContact CE2-CD1 4.04Å; F57-F60 HydrophobicContact CE2-CE1 4.42Å; F57-F60 WeakPolarHBondContact O-CB 3.4Å; F57-F60 PolarHBondContact O-N 3.19Å; R58-F60 VanDerWaalsContact C-N 3.32Å; R58-F60 PolarHBondContact O-N 3.41Å; F60-R62 VanDerWaalsContact C-N 3.28Å; F60-R62 PolarHBondContact O-N 3.01Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 PolarHBondContact O-OG 3.04Å; F60-E64 VanDerWaalsContact CE1-OE2 3.27Å; F60-E64 WeakPolarHBondContact CE1-OE2 3.38Å; F60-E64 VanDerWaalsContact CE2-CD 3.49Å; F60-E64 HydrophobicContact CE2-CG 4.31Å; F60-E64 VanDerWaalsContact CE2-OE1 3.3Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CZ-CG 4.33Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.27Å; F60-E64 WeakPolarHBondContact CZ-OE2 3.31Å; F60-E64 PolarHBondContact O-N 3.45Å; F60-S144 VanDerWaalsContact CE1-O 3.24Å; F60-S144 WeakPolarHBondContact CE1-O 3.12Å; F60-R147 HydrophobicContact CZ-CB 3.71Å; F60-F148 HydrophobicContact CB-CD2 3.66Å; F60-F148 HydrophobicContact CB-CE2 4.32Å; F60-F148 HydrophobicContact CD1-CB 3.64Å; F60-F148 HydrophobicContact CD1-CD2 4.09Å; F60-F148 HydrophobicContact CD1-CG 4.32Å; F60-F148 HydrophobicContact CD2-CB 4.44Å; F60-F148 HydrophobicContact CD2-CD2 4.39Å; F60-F148 HydrophobicContact CE1-CB 3.72Å; F60-F148 HydrophobicContact CG-CB 4.01Å; F60-F148 AromaticContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CG 4.4Å; F60-F148 HydrophobicContact CZ-CB 4.16Å; F60-F148 VanDerWaalsContact CZ-N 3.31Å; F60-H153 HydrophobicContact CB-CB 4.03Å; F60-H153 AromaticContact CD2-ND1 3.83Å
61L98.2Very high96.6Very high0 Ų051.8 Ų51.80%025%0.249CC..Hα-helixtrans-61.3-37.5179.7-67.9175.2000112.2F57 R58 S63 E64 F65 S66 E67 L70 M140 S144F57-L61 HydrophobicContact CD1-CD1 3.93Å; F57-L61 HydrophobicContact CD1-CG 4.46Å; F57-L61 HydrophobicContact CD2-CG 4.45Å; F57-L61 HydrophobicContact CE1-CD1 3.67Å; F57-L61 HydrophobicContact CE1-CD2 4.47Å; F57-L61 HydrophobicContact CE1-CG 4.23Å; F57-L61 HydrophobicContact CE2-CD2 4.15Å; F57-L61 HydrophobicContact CE2-CG 4.22Å; F57-L61 HydrophobicContact CG-CD1 4.47Å; F57-L61 HydrophobicContact CZ-CD1 4Å; F57-L61 HydrophobicContact CZ-CD2 3.96Å; F57-L61 HydrophobicContact CZ-CG 4.11Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 2.92Å; R58-L61 PolarHBondContact O-N 2.92Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.36Å; L61-E64 CarbonylContact O-C 3.37Å; L61-E64 PolarHBondContact O-N 2.7Å; L61-E64 VanDerWaalsContact O-N 3.14Å; L61-F65 PolarHBondContact O-N 3.39Å; L61-S66 WeakPolarHBondContact CD2-OG 3.24Å; L61-S66 PolarHBondContact O-N 3.2Å; L61-S66 PolarHBondContact O-OG 3.41Å; L61-E67 HydrophobicContact CB-CB 4.16Å; L61-L70 HydrophobicContact CD1-CB 3.48Å; L61-L70 VanDerWaalsContact CD1-CB 3.48Å; L61-L70 HydrophobicContact CD1-CD2 4.01Å; L61-L70 HydrophobicContact CD1-CG 4.33Å; L61-M140 HydrophobicContact CD1-SD 4.16Å; L61-S144 VanDerWaalsContact CD2-CB 3.47Å
62R97.9Very high97Very high137 Ų13743.3 Ų43.352%0.51721%0.212SC..Hα-helixtrans-61.2-42173.4-175.5177.1-64.5148.76.8112.2R58 G59 F60 E64 F65 E67R58-R62 PolarHBondContact O-N 3.43Å; G59-R62 PolarHBondContact O-N 3.24Å; F60-R62 VanDerWaalsContact C-N 3.28Å; F60-R62 PolarHBondContact O-N 3.01Å; R62-E64 PolarHBondContact O-N 3.47Å; R62-E64 VanDerWaalsContact O-N 3.17Å; R62-F65 PolarHBondContact O-N 3.08Å; R62-F65 VanDerWaalsContact O-N 3.16Å; R62-E67 HydrophobicContact CB-CB 4.5Å; R62-E67 WeakPolarHBondContact CB-OE2 3.4Å; R62-E67 IonicContact CZ-OE2 3.57Å; R62-E67 IonicContact NE-OE1 3.1Å; R62-E67 IonicContact NE-OE2 2.74Å; R62-E67 PolarHBondContact NE-OE2 2.7Å; R62-E67 IonicContact NH2-OE2 2.62Å; R62-E67 PolarHBondContact NH2-OE2 3.47Å
63S97.4Very high97.3Very high66 Ų6641.5 Ų41.546%0.46220%0.201SC..Hα-helixtrans-63.6-19.4178.278.70000113.1G59 F60 L61G59-S63 PolarHBondContact O-N 3.16Å; G59-S63 VanDerWaalsContact O-N 3.1Å; F60-S63 WeakPolarHBondContact O-CB 3.28Å; F60-S63 PolarHBondContact O-N 2.92Å; F60-S63 PolarHBondContact O-OG 3.04Å; L61-S63 VanDerWaalsContact C-N 3.33Å; L61-S63 PolarHBondContact O-N 3.36Å
64E97.2Very high97.6Very high65 Ų6543.5 Ų43.530%0.30421%0.211SC..THydrogen-bonded Turntrans-11312.8179.6-60-171.8148.800113.1F60 L61 R62 S66 R147F60-E64 VanDerWaalsContact CE1-OE2 3.27Å; F60-E64 WeakPolarHBondContact CE1-OE2 3.38Å; F60-E64 VanDerWaalsContact CE2-CD 3.49Å; F60-E64 HydrophobicContact CE2-CG 4.31Å; F60-E64 VanDerWaalsContact CE2-OE1 3.3Å; F60-E64 WeakPolarHBondContact CE2-OE1 3.31Å; F60-E64 HydrophobicContact CZ-CG 4.33Å; F60-E64 WeakPolarHBondContact CZ-OE1 3.27Å; F60-E64 WeakPolarHBondContact CZ-OE2 3.31Å; F60-E64 PolarHBondContact O-N 3.45Å; L61-E64 CarbonylContact O-C 3.37Å; L61-E64 PolarHBondContact O-N 2.7Å; L61-E64 VanDerWaalsContact O-N 3.14Å; R62-E64 PolarHBondContact O-N 3.47Å; R62-E64 VanDerWaalsContact O-N 3.17Å; E64-S66 VanDerWaalsContact C-N 3.27Å; E64-S66 PolarHBondContact O-N 3.03Å; E64-R147 IonicContact OE1-CZ 2.75Å; E64-R147 IonicContact OE1-NH1 2.7Å; E64-R147 PolarHBondContact OE1-NH1 3.22Å; E64-R147 IonicContact OE2-CZ 3.03Å; E64-R147 IonicContact OE2-NH1 2.75Å; E64-R147 PolarHBondContact OE2-NH1 3.3Å; E64-R147 IonicContact OE2-NH2 3.93Å; E64-R147 PolarHBondContact OE2-NH2 2.75Å
65F96.6Very high97.8Very high185 Ų18543.3 Ų43.381%0.81121%0.213SC*.THydrogen-bonded Turntrans53.441.4178.3-49.7-86000113.4L61 R62L61-F65 PolarHBondContact O-N 3.39Å; R62-F65 PolarHBondContact O-N 3.08Å; R62-F65 VanDerWaalsContact O-N 3.16Å
66S98.1Very high97.9Very high15 Ų1539 Ų3911%0.10519%0.193CC..  trans-132.221.3-179.357.30000113.2L61 E64 E68 N69L61-S66 WeakPolarHBondContact CD2-OG 3.24Å; L61-S66 PolarHBondContact O-N 3.2Å; L61-S66 PolarHBondContact O-OG 3.41Å; E64-S66 VanDerWaalsContact C-N 3.27Å; E64-S66 PolarHBondContact O-N 3.03Å; S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 WeakPolarHBondContact CA-OE2 3.36Å; S66-E68 PolarHBondContact O-N 3.13Å; S66-N69 PolarHBondContact O-N 3.07Å; S66-N69 PolarHBondContact O-ND2 3.43Å
67E98.1Very high98Very high55 Ų5541.3 Ų41.326%0.25720%0.202SC..THydrogen-bonded Turntrans-68.6-22.7-176.768.2176.8179.900113.6L61 R62 N69 L70 E71L61-E67 HydrophobicContact CB-CB 4.16Å; R62-E67 HydrophobicContact CB-CB 4.5Å; R62-E67 WeakPolarHBondContact CB-OE2 3.4Å; R62-E67 IonicContact CZ-OE2 3.57Å; R62-E67 IonicContact NE-OE1 3.1Å; R62-E67 IonicContact NE-OE2 2.74Å; R62-E67 PolarHBondContact NE-OE2 2.7Å; R62-E67 IonicContact NH2-OE2 2.62Å; R62-E67 PolarHBondContact NH2-OE2 3.47Å; E67-N69 PolarHBondContact O-N 2.88Å; E67-L70 PolarHBondContact O-N 3.41Å; E67-L70 VanDerWaalsContact O-N 3.08Å; E67-E71 PolarHBondContact O-N 2.75Å
68E98.5Very high98Very high38 Ų3845.1 Ų45.118%0.17822%0.222CC..Hα-helixtrans-56-34.5176.971.8-66156.400112.6S66 L70 E71 F72 L105 V107S66-E68 VanDerWaalsContact C-N 3.26Å; S66-E68 WeakPolarHBondContact CA-OE2 3.36Å; S66-E68 PolarHBondContact O-N 3.13Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.42Å; E68-E71 PolarHBondContact O-N 2.89Å; E68-F72 VanDerWaalsContact O-CB 3.26Å; E68-F72 WeakPolarHBondContact O-CB 3.09Å; E68-F72 PolarHBondContact O-N 2.99Å; E68-L105 HydrophobicContact CB-CB 3.87Å; E68-L105 HydrophobicContact CB-CD2 4.47Å; E68-V107 HydrophobicContact CB-CG1 4.44Å; E68-V107 HydrophobicContact CG-CG1 4.1Å
69N98.5Very high98Very high7 Ų742.7 Ų42.74%0.03721%0.213CC..Hα-helixtrans-62.7-40.4178.7-62.4-64.6000112S66 E67 W73 I136 M140S66-N69 PolarHBondContact O-N 3.07Å; S66-N69 PolarHBondContact O-ND2 3.43Å; E67-N69 PolarHBondContact O-N 2.88Å; N69-W73 WeakPolarHBondContact O-CB 3.48Å; N69-W73 PolarHBondContact O-N 3.34Å; N69-W73 VanDerWaalsContact O-N 3.15Å; N69-I136 HydrophobicContact CB-CG2 3.61Å; N69-I136 VanDerWaalsContact O-CG2 3.29Å; N69-I136 WeakPolarHBondContact O-CG2 3.34Å; N69-M140 HydrophobicContact CB-CG 3.71Å; N69-M140 HydrophobicContact CB-SD 3.71Å
70L98.5Very high98Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-75.9-43178.8178.261.3000111.3L48 L54 F57 R58 L61 E67 E68 F72 W73 L74 M140L48-L70 HydrophobicContact CD2-CD1 3.46Å; L48-L70 VanDerWaalsContact CD2-CD1 3.46Å; L54-L70 HydrophobicContact CD1-CD1 3.81Å; L54-L70 HydrophobicContact CD1-CD2 4.04Å; L54-L70 HydrophobicContact CD1-CG 4.38Å; F57-L70 HydrophobicContact CD1-CD1 4.49Å; F57-L70 HydrophobicContact CD1-CD2 4.22Å; R58-L70 HydrophobicContact CB-CD2 3.72Å; R58-L70 HydrophobicContact CG-CD2 4.35Å; L61-L70 HydrophobicContact CD1-CB 3.48Å; L61-L70 VanDerWaalsContact CD1-CB 3.48Å; L61-L70 HydrophobicContact CD1-CD2 4.01Å; L61-L70 HydrophobicContact CD1-CG 4.33Å; E67-L70 PolarHBondContact O-N 3.41Å; E67-L70 VanDerWaalsContact O-N 3.08Å; E68-L70 VanDerWaalsContact C-N 3.32Å; E68-L70 PolarHBondContact O-N 3.42Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 2.72Å; L70-W73 PolarHBondContact O-N 3.24Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CG 4.17Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.35Å; L70-L74 PolarHBondContact O-N 3.41Å; L70-M140 HydrophobicContact CB-SD 4.12Å
71E98.6Very high97.9Very high53 Ų5350.2 Ų50.225%0.24825%0.246CC..Hα-helixtrans-62.4-41.6178.3-64.1-50130.600111.6R58 E67 E68 L74 A75 F98R58-E71 IonicContact CZ-OE1 3.69Å; R58-E71 IonicContact NE-OE1 2.73Å; R58-E71 PolarHBondContact NE-OE1 2.93Å; R58-E71 IonicContact NH2-OE1 3.37Å; R58-E71 PolarHBondContact NH2-OE1 2.97Å; R58-E71 IonicContact NH2-OE2 3.66Å; R58-E71 PolarHBondContact NH2-OE2 3.22Å; R58-E71 VanDerWaalsContact NH2-OE2 3.13Å; E67-E71 PolarHBondContact O-N 2.75Å; E68-E71 PolarHBondContact O-N 2.89Å; E71-L74 PolarHBondContact O-N 3.19Å; E71-A75 WeakPolarHBondContact O-CB 3.44Å; E71-A75 PolarHBondContact O-N 3.05Å; E71-F98 HydrophobicContact CB-CE1 3.85Å; E71-F98 HydrophobicContact CB-CZ 3.91Å
72F98.8Very high97.7Very high0 Ų050.7 Ų50.70%025%0.249CC..Hα-helixtrans-61-46.7172.9171.6-108.9000111.9E68 L70 L74 A75 C76 I94 F98 I99 V107 A132 I136E68-F72 VanDerWaalsContact O-CB 3.26Å; E68-F72 WeakPolarHBondContact O-CB 3.09Å; E68-F72 PolarHBondContact O-N 2.99Å; L70-F72 VanDerWaalsContact C-N 3.33Å; L70-F72 PolarHBondContact O-N 2.72Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.13Å; F72-A75 PolarHBondContact O-N 3Å; F72-C76 WeakPolarHBondContact CE2-SG 3.41Å; F72-C76 WeakPolarHBondContact CZ-SG 3.26Å; F72-C76 PolarHBondContact O-N 3.46Å; F72-C76 PolarHBondContact O-SG 2.99Å; F72-I94 HydrophobicContact CD2-CG2 4.08Å; F72-I94 HydrophobicContact CE2-CG2 3.73Å; F72-F98 HydrophobicContact CB-CB 4.24Å; F72-F98 HydrophobicContact CB-CD1 3.75Å; F72-F98 HydrophobicContact CB-CD2 4.36Å; F72-F98 HydrophobicContact CB-CE1 4.15Å; F72-F98 HydrophobicContact CB-CG 3.87Å; F72-F98 HydrophobicContact CD2-CB 3.6Å; F72-F98 AromaticContact CD2-CD2 3.98Å; F72-F98 HydrophobicContact CD2-CD2 3.98Å; F72-F98 AromaticContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CE2-CB 4.39Å; F72-F98 HydrophobicContact CG-CB 4.22Å; F72-F98 HydrophobicContact CG-CG 4.28Å; F72-I99 HydrophobicContact CD2-CD1 4.34Å; F72-I99 HydrophobicContact CE2-CD1 3.61Å; F72-I99 HydrophobicContact CE2-CG1 4.27Å; F72-I99 HydrophobicContact CZ-CD1 3.91Å; F72-V107 HydrophobicContact CB-CG1 3.62Å; F72-V107 HydrophobicContact CD1-CG1 4.23Å; F72-V107 HydrophobicContact CD1-CG2 4.17Å; F72-V107 HydrophobicContact CD2-CG2 4.43Å; F72-V107 HydrophobicContact CE1-CG2 4.39Å; F72-V107 HydrophobicContact CG-CG1 3.94Å; F72-V107 HydrophobicContact CG-CG2 4.17Å; F72-A132 HydrophobicContact CE1-CB 4.27Å; F72-A132 HydrophobicContact CZ-CB 3.86Å; F72-I136 HydrophobicContact CD1-CB 3.92Å; F72-I136 HydrophobicContact CD1-CG1 3.64Å; F72-I136 HydrophobicContact CD1-CG2 4.05Å; F72-I136 HydrophobicContact CE1-CB 4.14Å; F72-I136 HydrophobicContact CE1-CG1 3.67Å
73W98.6Very high97.5Very high33 Ų3347.6 Ų47.613%0.12525%0.247CC..Hα-helixtrans-60.4-42.9179.6-175.792.6000111.8L48 N69 L70 C76 E77 Q133 Y137 M140L48-W73 HydrophobicContact CB-CH2 4.11Å; L48-W73 HydrophobicContact CB-CZ3 4.13Å; L48-W73 HydrophobicContact CD1-CD2 3.98Å; L48-W73 HydrophobicContact CD1-CE3 3.95Å; L48-W73 HydrophobicContact CD1-CH2 3.83Å; L48-W73 HydrophobicContact CD1-CZ2 3.84Å; L48-W73 HydrophobicContact CD1-CZ3 3.87Å; L48-W73 HydrophobicContact CG-CZ3 4.46Å; N69-W73 WeakPolarHBondContact O-CB 3.48Å; N69-W73 PolarHBondContact O-N 3.34Å; N69-W73 VanDerWaalsContact O-N 3.15Å; L70-W73 PolarHBondContact O-N 3.24Å; W73-C76 WeakPolarHBondContact O-CB 3.46Å; W73-C76 PolarHBondContact O-N 3.06Å; W73-E77 HydrophobicContact CD2-CG 4.28Å; W73-E77 HydrophobicContact CE3-CG 3.91Å; W73-E77 HydrophobicContact CH2-CG 3.53Å; W73-E77 HydrophobicContact CZ2-CG 3.92Å; W73-E77 HydrophobicContact CZ3-CG 3.53Å; W73-E77 PolarHBondContact O-N 2.9Å; W73-E77 VanDerWaalsContact O-N 3.12Å; W73-Q133 VanDerWaalsContact CD1-CG 3.41Å; W73-Q133 HydrophobicContact CG-CG 4.12Å; W73-Q133 PolarHBondContact O-NE2 3.24Å; W73-Q133 VanDerWaalsContact O-NE2 3.12Å; W73-Y137 AromaticContact NE1-CD2 3.59Å; W73-M140 HydrophobicContact CB-CE 3.98Å; W73-M140 HydrophobicContact CG-CE 4.24Å
74L98.3Very high97.1Very high41 Ų4149 Ų4922%0.21526%0.257CS..Hα-helixtrans-67.4-38.7176.6-69.9170.8000112.4L54 R58 L70 E71 F72 C76 E77 D78L54-L74 HydrophobicContact CD1-CD1 4.38Å; L54-L74 HydrophobicContact CD1-CD2 4.31Å; L54-L74 HydrophobicContact CD2-CD2 4.32Å; R58-L74 VanDerWaalsContact NH2-CD1 3.32Å; L70-L74 HydrophobicContact CD1-CD1 4.2Å; L70-L74 HydrophobicContact CD1-CG 4.17Å; L70-L74 HydrophobicContact CG-CD1 4Å; L70-L74 HydrophobicContact CG-CG 4.42Å; L70-L74 WeakPolarHBondContact O-CB 3.13Å; L70-L74 VanDerWaalsContact O-CG 3.31Å; L70-L74 WeakPolarHBondContact O-CG 3.35Å; L70-L74 PolarHBondContact O-N 3.41Å; E71-L74 PolarHBondContact O-N 3.19Å; F72-L74 VanDerWaalsContact C-N 3.32Å; F72-L74 PolarHBondContact O-N 3.13Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.27Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 3.24Å; L74-D78 PolarHBondContact O-N 3.45Å
75A98.4Very high96.9Very high22 Ų2252.2 Ų52.218%0.18228%0.276CS..Hα-helixtrans-62.9-36.7175.500000111.4E71 F72 Y79 I94 F98E71-A75 WeakPolarHBondContact O-CB 3.44Å; E71-A75 PolarHBondContact O-N 3.05Å; F72-A75 PolarHBondContact O-N 3Å; A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.15Å; A75-Y79 PolarHBondContact O-N 3.31Å; A75-I94 HydrophobicContact CB-CD1 4.19Å; A75-I94 HydrophobicContact CB-CG1 3.89Å; A75-F98 HydrophobicContact CB-CE2 4.09Å
76C98.2Very high96.8Very high3 Ų347.6 Ų47.62%0.0226%0.258CS..Hα-helixtrans-65.1-42.9172.9-64.40000112.5F72 W73 L74 Y79 R80 F129 Q133F72-C76 WeakPolarHBondContact CE2-SG 3.41Å; F72-C76 WeakPolarHBondContact CZ-SG 3.26Å; F72-C76 PolarHBondContact O-N 3.46Å; F72-C76 PolarHBondContact O-SG 2.99Å; W73-C76 WeakPolarHBondContact O-CB 3.46Å; W73-C76 PolarHBondContact O-N 3.06Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.27Å; C76-Y79 PolarHBondContact O-N 2.92Å; C76-R80 PolarHBondContact O-N 3.35Å; C76-F129 HydrophobicContact CB-CB 4.36Å; C76-Q133 HydrophobicContact CB-CB 4.02Å; C76-Q133 VanDerWaalsContact CB-CD 3.4Å; C76-Q133 HydrophobicContact CB-CG 3.69Å
77E97.6Very high96.5Very high67 Ų6748 Ų4831%0.31326%0.259SS..Hα-helixtrans-58.7-48.5175-73-58.596.200111.6W73 L74 R80 V81 Q133W73-E77 HydrophobicContact CD2-CG 4.28Å; W73-E77 HydrophobicContact CE3-CG 3.91Å; W73-E77 HydrophobicContact CH2-CG 3.53Å; W73-E77 HydrophobicContact CZ2-CG 3.92Å; W73-E77 HydrophobicContact CZ3-CG 3.53Å; W73-E77 PolarHBondContact O-N 2.9Å; W73-E77 VanDerWaalsContact O-N 3.12Å; L74-E77 WeakPolarHBondContact O-CB 3.43Å; L74-E77 PolarHBondContact O-N 3.24Å; E77-R80 WeakPolarHBondContact O-CB 3.19Å; E77-R80 PolarHBondContact O-N 2.8Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NE 3.33Å; E77-R80 IonicContact OE1-NH2 3.36Å; E77-R80 PolarHBondContact OE1-NH2 3.14Å; E77-V81 PolarHBondContact O-N 3.37Å; E77-Q133 PolarHBondContact OE1-NE2 2.91Å
78D97.4Very high96.3Very high79 Ų7952 Ų5242%0.42228%0.275SS..Hα-helixtrans-63.5-42.2179175.251.4000111.6L74 R80 V81 S82 K90L74-D78 PolarHBondContact O-N 3.45Å; D78-R80 PolarHBondContact O-N 3.26Å; D78-V81 WeakPolarHBondContact O-CG2 3.31Å; D78-S82 PolarHBondContact O-N 3.29Å; D78-S82 PolarHBondContact O-OG 3.17Å; D78-K90 IonicContact OD1-NZ 2.67Å; D78-K90 PolarHBondContact OD1-NZ 3.15Å; D78-K90 WeakPolarHBondContact OD2-CE 3.33Å; D78-K90 IonicContact OD2-NZ 3.95Å; D78-K90 PolarHBondContact OD2-NZ 3.24Å
79Y98Very high96.2Very high2 Ų255.1 Ų55.11%0.00830%0.297CS..Hα-helixtrans-58.6-45.8174.5170.2-91.3000112.4A75 C76 V81 S82 Q87 K90 A91 I94 C125 F129A75-Y79 VanDerWaalsContact O-CB 3.31Å; A75-Y79 WeakPolarHBondContact O-CB 3.15Å; A75-Y79 PolarHBondContact O-N 3.31Å; C76-Y79 PolarHBondContact O-N 2.92Å; Y79-V81 VanDerWaalsContact C-N 3.27Å; Y79-V81 PolarHBondContact O-N 3.28Å; Y79-S82 VanDerWaalsContact O-CB 3.3Å; Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.78Å; Y79-Q87 HydrophobicContact CE2-CB 3.86Å; Y79-Q87 HydrophobicContact CE2-CG 4.01Å; Y79-Q87 WeakPolarHBondContact CE2-O 3.5Å; Y79-K90 HydrophobicContact CD2-CB 3.95Å; Y79-A91 HydrophobicContact CD2-CB 4.43Å; Y79-A91 HydrophobicContact CE2-CB 3.82Å; Y79-I94 HydrophobicContact CD2-CD1 4.35Å; Y79-I94 HydrophobicContact CG-CD1 4.17Å; Y79-C125 WeakPolarHBondContact CE1-O 3.32Å; Y79-C125 PolarHBondContact OH-O 2.87Å; Y79-F129 AromaticContact CD1-CD2 3.58Å; Y79-F129 HydrophobicContact CD1-CD2 3.58Å; Y79-F129 AromaticContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CD2 4.4Å; Y79-F129 AromaticContact CD2-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CE2 3.93Å; Y79-F129 AromaticContact CE1-CD2 3.73Å; Y79-F129 HydrophobicContact CE1-CD2 3.73Å; Y79-F129 AromaticContact CE1-CE2 3.91Å; Y79-F129 HydrophobicContact CE1-CE2 3.91Å; Y79-F129 AromaticContact CE2-CE2 3.93Å; Y79-F129 HydrophobicContact CE2-CE2 3.93Å; Y79-F129 AromaticContact CG-CD2 3.93Å; Y79-F129 HydrophobicContact CG-CD2 3.93Å; Y79-F129 AromaticContact CG-CE2 3.94Å; Y79-F129 HydrophobicContact CG-CE2 3.94Å; Y79-F129 AromaticContact CZ-CE2 3.91Å
80R96.3Very high96.1Very high72 Ų7256.8 Ų56.827%0.27230%0.304SS..Hα-helixtrans-57.6-39.9-175.8-165.5-157.8-47.4-78.5-4.3112.5C76 E77 D78 N130C76-R80 PolarHBondContact O-N 3.35Å; E77-R80 WeakPolarHBondContact O-CB 3.19Å; E77-R80 PolarHBondContact O-N 2.8Å; E77-R80 IonicContact OE1-CZ 2.87Å; E77-R80 IonicContact OE1-NE 3.33Å; E77-R80 IonicContact OE1-NH2 3.36Å; E77-R80 PolarHBondContact OE1-NH2 3.14Å; D78-R80 PolarHBondContact O-N 3.26Å; R80-N130 PolarHBondContact NH1-OD1 3.32Å
81V96.1Very high96Very high115 Ų11556.8 Ų56.870%0.69730%0.304SS*.THydrogen-bonded Turntrans-92-0.3-178.5-57.70000113.4E77 D78 Y79E77-V81 PolarHBondContact O-N 3.37Å; D78-V81 WeakPolarHBondContact O-CG2 3.31Å; Y79-V81 VanDerWaalsContact C-N 3.27Å; Y79-V81 PolarHBondContact O-N 3.28Å
82S95.1Very high95.9Very high9 Ų957 Ų576%0.06331%0.311CS..SBendtrans-75.3145.8-177.2-70.90000112.8D78 Y79 Q87 K90D78-S82 PolarHBondContact O-N 3.29Å; D78-S82 PolarHBondContact O-OG 3.17Å; Y79-S82 VanDerWaalsContact O-CB 3.3Å; Y79-S82 WeakPolarHBondContact O-CB 3.45Å; Y79-S82 PolarHBondContact O-N 2.78Å; S82-Q87 PolarHBondContact O-NE2 3.06Å; S82-K90 VanDerWaalsContact OG-CD 3.24Å; S82-K90 WeakPolarHBondContact OG-CD 3.06Å; S82-K90 VanDerWaalsContact OG-CE 3.31Å; S82-K90 WeakPolarHBondContact OG-CE 3.31Å; S82-K90 PolarHBondContact OG-NZ 2.85Å
83P93.6Very high95.9Very high72 Ų7260.1 Ų60.147%0.46833%0.333SS..  trans-65.1150174.629.4-35.3000111N85 M86 Q87P83-N85 WeakPolarHBondContact CB-OD1 3.49Å; P83-N85 WeakPolarHBondContact CG-OD1 3.3Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-N85 VanDerWaalsContact O-N 3.08Å; P83-M86 HydrophobicContact CG-CB 4.28Å; P83-M86 HydrophobicContact CG-CG 3.97Å; P83-M86 HydrophobicContact CG-SD 3.96Å; P83-M86 PolarHBondContact O-N 2.9Å; P83-Q87 PolarHBondContact O-N 2.65Å
84S89.4Confident95.9Very high97 Ų9758.9 Ų58.968%0.67833%0.329SS*.Hα-helixtrans-57.3-29.6-172.9-54.10000114.3M86 Q87S84-M86 PolarHBondContact O-N 3.05Å; S84-Q87 PolarHBondContact O-N 3.47Å
85N91.9Very high95.8Very high131 Ų13158.3 Ų58.370%0.70132%0.324SS*.Hα-helixtrans-68.8-19.6176.169.1-39.4000113.5P83P83-N85 WeakPolarHBondContact CB-OD1 3.49Å; P83-N85 WeakPolarHBondContact CG-OD1 3.3Å; P83-N85 PolarHBondContact O-N 3.41Å; P83-N85 VanDerWaalsContact O-N 3.08Å
86M94.1Very high95.7Very high88 Ų8861.7 Ų61.743%0.43334%0.339SS..Hα-helixtrans-99.2-19.7176.6-65.1-171.876.900113.2P83 S84 K88 T89 K90P83-M86 HydrophobicContact CG-CB 4.28Å; P83-M86 HydrophobicContact CG-CG 3.97Å; P83-M86 HydrophobicContact CG-SD 3.96Å; P83-M86 PolarHBondContact O-N 2.9Å; S84-M86 PolarHBondContact O-N 3.05Å; M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.1Å; M86-T89 PolarHBondContact O-N 2.98Å; M86-K90 PolarHBondContact O-N 2.88Å
87Q92.8Very high95.7Very high25 Ų2565.3 Ų65.312%0.11736%0.355CS..Hα-helixtrans-56-44.8-175.5-78.6177.9-17.100112.1Y79 S82 P83 S84 T89 K90 A91Y79-Q87 HydrophobicContact CE2-CB 3.86Å; Y79-Q87 HydrophobicContact CE2-CG 4.01Å; Y79-Q87 WeakPolarHBondContact CE2-O 3.5Å; S82-Q87 PolarHBondContact O-NE2 3.06Å; P83-Q87 PolarHBondContact O-N 2.65Å; S84-Q87 PolarHBondContact O-N 3.47Å; Q87-T89 PolarHBondContact O-N 3.35Å; Q87-K90 PolarHBondContact O-N 3.48Å; Q87-A91 VanDerWaalsContact O-CB 3.27Å; Q87-A91 WeakPolarHBondContact O-CB 3.39Å; Q87-A91 PolarHBondContact O-N 3.41Å
88K94.1Very high95.8Very high137 Ų13762.3 Ų62.360%0.59634%0.341SS*.Hα-helixtrans-58.5-49.7178.9-169.5169.3-175.2167.80112.5M86 K90 A91 S92 L124M86-K88 VanDerWaalsContact C-N 3.32Å; M86-K88 PolarHBondContact O-N 3.1Å; K88-K90 PolarHBondContact O-N 3.34Å; K88-A91 PolarHBondContact O-N 3.43Å; K88-S92 PolarHBondContact O-N 3.48Å; K88-S92 PolarHBondContact O-OG 3.04Å; K88-L124 HydrophobicContact CB-CD1 4.28Å; K88-L124 HydrophobicContact CG-CD1 4.44Å
89T95.7Very high95.7Very high105 Ų10558.6 Ų58.664%0.64432%0.322SS*.Hα-helixtrans-63.5-43.4179.3-52.70000111.8M86 Q87 S92 S93M86-T89 PolarHBondContact O-N 2.98Å; Q87-T89 PolarHBondContact O-N 3.35Å; T89-S92 PolarHBondContact O-N 3.24Å; T89-S93 PolarHBondContact O-N 3.32Å
90K97.2Very high95.5Very high42 Ų4261 Ų6118%0.18333%0.334CS..Hα-helixtrans-68-41.9179.3-72.3-169.1-178.6-168.70112.2D78 Y79 S82 M86 Q87 K88 S92 S93 I94D78-K90 IonicContact OD1-NZ 2.67Å; D78-K90 PolarHBondContact OD1-NZ 3.15Å; D78-K90 WeakPolarHBondContact OD2-CE 3.33Å; D78-K90 IonicContact OD2-NZ 3.95Å; D78-K90 PolarHBondContact OD2-NZ 3.24Å; Y79-K90 HydrophobicContact CD2-CB 3.95Å; S82-K90 VanDerWaalsContact OG-CD 3.24Å; S82-K90 WeakPolarHBondContact OG-CD 3.06Å; S82-K90 VanDerWaalsContact OG-CE 3.31Å; S82-K90 WeakPolarHBondContact OG-CE 3.31Å; S82-K90 PolarHBondContact OG-NZ 2.85Å; M86-K90 PolarHBondContact O-N 2.88Å; Q87-K90 PolarHBondContact O-N 3.48Å; K88-K90 PolarHBondContact O-N 3.34Å; K90-S92 PolarHBondContact O-N 3.41Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.28Å; K90-S93 VanDerWaalsContact O-N 3.16Å; K90-I94 VanDerWaalsContact O-CG1 3.31Å; K90-I94 WeakPolarHBondContact O-CG1 3.36Å; K90-I94 PolarHBondContact O-N 2.98Å
91A96.8Very high95.2Very high0 Ų060.8 Ų60.80%034%0.342CS..Hα-helixtrans-60.4-45.8175.700000111.6Y79 Q87 K88 S93 I94 Y95 M121 L124 F129Y79-A91 HydrophobicContact CD2-CB 4.43Å; Y79-A91 HydrophobicContact CE2-CB 3.82Å; Q87-A91 VanDerWaalsContact O-CB 3.27Å; Q87-A91 WeakPolarHBondContact O-CB 3.39Å; Q87-A91 PolarHBondContact O-N 3.41Å; K88-A91 PolarHBondContact O-N 3.43Å; A91-S93 VanDerWaalsContact C-N 3.3Å; A91-S93 PolarHBondContact O-N 3.44Å; A91-I94 PolarHBondContact O-N 3.45Å; A91-Y95 WeakPolarHBondContact O-CB 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; A91-M121 HydrophobicContact CB-SD 4.39Å; A91-L124 HydrophobicContact CB-CD1 3.41Å; A91-L124 VanDerWaalsContact CB-CD1 3.41Å; A91-L124 HydrophobicContact CB-CD2 3.63Å; A91-L124 HydrophobicContact CB-CG 4.17Å; A91-F129 HydrophobicContact CB-CE2 4.01Å; A91-F129 HydrophobicContact CB-CZ 3.89Å
92S96.2Very high95Very high57 Ų5762.1 Ų62.140%0.39935%0.346SS..Hα-helixtrans-61.2-39174.4-60.90000112.2K88 T89 K90 N96K88-S92 PolarHBondContact O-N 3.48Å; K88-S92 PolarHBondContact O-OG 3.04Å; T89-S92 PolarHBondContact O-N 3.24Å; K90-S92 PolarHBondContact O-N 3.41Å; S92-N96 WeakPolarHBondContact O-CB 3.29Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.98Å; S92-N96 VanDerWaalsContact O-N 3.08Å; S92-N96 PolarHBondContact O-ND2 2.92Å
93S97.6Very high95.1Very high66 Ų6662.1 Ų62.146%0.46235%0.347SS..Hα-helixtrans-63.2-48.1175.2-168.80000111.8T89 K90 A91 Y95 N96 Q97T89-S93 PolarHBondContact O-N 3.32Å; K90-S93 WeakPolarHBondContact O-CB 3.44Å; K90-S93 PolarHBondContact O-N 3.28Å; K90-S93 VanDerWaalsContact O-N 3.16Å; A91-S93 VanDerWaalsContact C-N 3.3Å; A91-S93 PolarHBondContact O-N 3.44Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 3.22Å; S93-N96 PolarHBondContact O-N 3.46Å; S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 PolarHBondContact O-N 3.23Å
94I98.3Very high95.3Very high6 Ų663.7 Ų63.73%0.03136%0.357CS..Hα-helixtrans-60.2-46.7178.9-70.8166.3000110.1F72 A75 Y79 K90 A91 N96 Q97 F98 I99 F129F72-I94 HydrophobicContact CD2-CG2 4.08Å; F72-I94 HydrophobicContact CE2-CG2 3.73Å; A75-I94 HydrophobicContact CB-CD1 4.19Å; A75-I94 HydrophobicContact CB-CG1 3.89Å; Y79-I94 HydrophobicContact CD2-CD1 4.35Å; Y79-I94 HydrophobicContact CG-CD1 4.17Å; K90-I94 VanDerWaalsContact O-CG1 3.31Å; K90-I94 WeakPolarHBondContact O-CG1 3.36Å; K90-I94 PolarHBondContact O-N 2.98Å; A91-I94 PolarHBondContact O-N 3.45Å; I94-N96 PolarHBondContact O-N 2.88Å; I94-Q97 PolarHBondContact O-N 3.12Å; I94-F98 HydrophobicContact CG2-CD2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.25Å; I94-F98 PolarHBondContact O-N 3.12Å; I94-I99 HydrophobicContact CG2-CG1 4.45Å; I94-F129 HydrophobicContact CB-CE1 4.36Å; I94-F129 HydrophobicContact CB-CE2 4.43Å; I94-F129 HydrophobicContact CB-CZ 4.04Å; I94-F129 HydrophobicContact CD1-CD2 4.15Å; I94-F129 HydrophobicContact CD1-CE2 3.85Å; I94-F129 HydrophobicContact CD1-CZ 4.32Å; I94-F129 HydrophobicContact CG2-CD1 4.04Å; I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.34Å; I94-F129 HydrophobicContact CG2-CZ 3.86Å
95Y96.8Very high95.7Very high30 Ų3062 Ų6212%0.11834%0.339CS..Iπ-helixtrans-59.7-50.5-179.4-173.2-88.7000111.8A91 S93 Q97 I99 N100 L118 M121A91-Y95 WeakPolarHBondContact O-CB 3.4Å; A91-Y95 PolarHBondContact O-N 3.31Å; S93-Y95 VanDerWaalsContact C-N 3.34Å; S93-Y95 PolarHBondContact O-N 3.22Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.78Å; Y95-I99 HydrophobicContact CD2-CB 3.92Å; Y95-I99 HydrophobicContact CD2-CG2 3.85Å; Y95-I99 HydrophobicContact CE2-CB 4.26Å; Y95-I99 HydrophobicContact CE2-CG2 3.79Å; Y95-I99 HydrophobicContact CG-CB 4.38Å; Y95-I99 PolarHBondContact O-N 2.7Å; Y95-N100 HydrophobicContact CD1-CB 4.32Å; Y95-N100 HydrophobicContact CE1-CB 3.95Å; Y95-N100 PolarHBondContact O-N 2.99Å; Y95-L118 HydrophobicContact CE1-CD1 4.44Å; Y95-L118 HydrophobicContact CE2-CB 4.1Å; Y95-L118 HydrophobicContact CE2-CD1 4.22Å; Y95-M121 HydrophobicContact CD2-CG 4.37Å; Y95-M121 HydrophobicContact CD2-SD 4.24Å; Y95-M121 HydrophobicContact CG-SD 4.49Å
96N96.9Very high95.9Very high93 Ų9359.3 Ų59.350%0.49732%0.323SS..Iπ-helixtrans-70.9-27.4-177.4-70.1-37.8000113.6S92 S93 I94 A103 P104S92-N96 WeakPolarHBondContact O-CB 3.29Å; S92-N96 VanDerWaalsContact O-CG 3.31Å; S92-N96 PolarHBondContact O-N 2.98Å; S92-N96 VanDerWaalsContact O-N 3.08Å; S92-N96 PolarHBondContact O-ND2 2.92Å; S93-N96 PolarHBondContact O-N 3.46Å; I94-N96 PolarHBondContact O-N 2.88Å; N96-A103 WeakPolarHBondContact O-CB 3.35Å; N96-P104 WeakPolarHBondContact O-CD 3.43Å
97Q98.1Very high96.1Very high78 Ų7855.2 Ų55.236%0.36430%0.303SS..Iπ-helixtrans-88.7-31.1-176.7-170.7168.142.900113S93 I94 Y95 A103 L105S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 PolarHBondContact O-N 3.23Å; I94-Q97 PolarHBondContact O-N 3.12Å; Y95-Q97 VanDerWaalsContact C-N 3.33Å; Y95-Q97 PolarHBondContact O-N 2.78Å; Q97-A103 WeakPolarHBondContact O-CB 3.31Å; Q97-L105 HydrophobicContact CG-CD1 4.11Å; Q97-L105 CarbonylContact O-C 3.27Å; Q97-L105 WeakPolarHBondContact O-CA 3.38Å; Q97-L105 WeakPolarHBondContact O-CB 3.26Å; Q97-L105 PolarHBondContact O-N 3.47Å; Q97-L105 VanDerWaalsContact O-N 3.12Å
98F98.4Very high96.3Very high4 Ų460 Ų602%0.01833%0.329CS..Iπ-helixtrans-130.6-21.9-170.4-53.9-77.4000116E71 F72 A75 I94 L105 E106 V107E71-F98 HydrophobicContact CB-CE1 3.85Å; E71-F98 HydrophobicContact CB-CZ 3.91Å; F72-F98 HydrophobicContact CB-CB 4.24Å; F72-F98 HydrophobicContact CB-CD1 3.75Å; F72-F98 HydrophobicContact CB-CD2 4.36Å; F72-F98 HydrophobicContact CB-CE1 4.15Å; F72-F98 HydrophobicContact CB-CG 3.87Å; F72-F98 HydrophobicContact CD2-CB 3.6Å; F72-F98 AromaticContact CD2-CD2 3.98Å; F72-F98 HydrophobicContact CD2-CD2 3.98Å; F72-F98 AromaticContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CD2-CG 3.81Å; F72-F98 HydrophobicContact CE2-CB 4.39Å; F72-F98 HydrophobicContact CG-CB 4.22Å; F72-F98 HydrophobicContact CG-CG 4.28Å; A75-F98 HydrophobicContact CB-CE2 4.09Å; I94-F98 HydrophobicContact CG2-CD2 4.38Å; I94-F98 WeakPolarHBondContact O-CD2 3.25Å; I94-F98 PolarHBondContact O-N 3.12Å; F98-L105 WeakPolarHBondContact CA-O 3.39Å; F98-L105 HydrophobicContact CD1-CB 3.81Å; F98-L105 WeakPolarHBondContact CD1-O 3.09Å; F98-L105 HydrophobicContact CE1-CB 3.88Å; F98-L105 HydrophobicContact CE1-CD1 3.9Å; F98-L105 HydrophobicContact CZ-CD1 4.45Å; F98-E106 WeakPolarHBondContact O-CA 3.5Å; F98-V107 HydrophobicContact CB-CG1 4.37Å; F98-V107 HydrophobicContact CB-CG2 4.34Å; F98-V107 HydrophobicContact CD1-CG1 4.39Å; F98-V107 WeakPolarHBondContact O-CG2 3Å; F98-V107 PolarHBondContact O-N 2.62Å
99I97.2Very high96.3Very high1 Ų153.7 Ų53.71%0.00530%0.302CS..Iπ-helixtrans-111.2-37.4-166.6-53.5-66000113.3F72 I94 Y95 V107 L109 R114 L117F72-I99 HydrophobicContact CD2-CD1 4.34Å; F72-I99 HydrophobicContact CE2-CD1 3.61Å; F72-I99 HydrophobicContact CE2-CG1 4.27Å; F72-I99 HydrophobicContact CZ-CD1 3.91Å; I94-I99 HydrophobicContact CG2-CG1 4.45Å; Y95-I99 HydrophobicContact CD2-CB 3.92Å; Y95-I99 HydrophobicContact CD2-CG2 3.85Å; Y95-I99 HydrophobicContact CE2-CB 4.26Å; Y95-I99 HydrophobicContact CE2-CG2 3.79Å; Y95-I99 HydrophobicContact CG-CB 4.38Å; Y95-I99 PolarHBondContact O-N 2.7Å; I99-V107 HydrophobicContact CD1-CG2 4.04Å; I99-L109 HydrophobicContact CD1-CD1 3.37Å; I99-R114 HydrophobicContact CG2-CB 4.46Å; I99-R114 HydrophobicContact CG2-CG 4.03Å; I99-R114 WeakPolarHBondContact O-CD 3.45Å; I99-L117 HydrophobicContact CD1-CD1 4.03Å; I99-L117 HydrophobicContact CG1-CD1 4.35Å; I99-L117 HydrophobicContact CG2-CD1 3.94Å
100N93.8Very high96.2Very high52 Ų5252.1 Ų52.128%0.27829%0.29SS..SBendtrans-55.8136.8176.5-177.221.8000110.1Y95 D102 A103Y95-N100 HydrophobicContact CD1-CB 4.32Å; Y95-N100 HydrophobicContact CE1-CB 3.95Å; Y95-N100 PolarHBondContact O-N 2.99Å; N100-D102 PolarHBondContact O-N 3.3Å; N100-A103 HydrophobicContact CB-CB 4.18Å; N100-A103 WeakPolarHBondContact O-CB 3.49Å; N100-A103 PolarHBondContact O-N 3.01Å
101P89.4Confident96.1Very high68 Ų6852.4 Ų52.444%0.44230%0.3SS..THydrogen-bonded Turntrans-56.4-10.1177.6-31.237.4000117
102D92.1Very high96Very high143 Ų14359.9 Ų59.977%0.76534%0.335SS*.THydrogen-bonded Turntrans-118.219.2174-60.5-58.7000112N100N100-D102 PolarHBondContact O-N 3.3Å
103A96.8Very high95.9Very high10 Ų1057.7 Ų57.78%0.08332%0.319CS..  trans-65.7138.4-179.300000110.6N96 Q97 N100 L105 E106N96-A103 WeakPolarHBondContact O-CB 3.35Å; Q97-A103 WeakPolarHBondContact O-CB 3.31Å; N100-A103 HydrophobicContact CB-CB 4.18Å; N100-A103 WeakPolarHBondContact O-CB 3.49Å; N100-A103 PolarHBondContact O-N 3.01Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.13Å; A103-E106 HydrophobicContact CB-CB 4.12Å; A103-E106 PolarHBondContact O-N 2.64Å
104P97.3Very high95.7Very high105 Ų10557 Ų5768%0.68231%0.306SS*.THydrogen-bonded Turntrans-63.8-23.1-177.326.8-35.6000113.2N96N96-P104 WeakPolarHBondContact O-CD 3.43Å
105L97.6Very high95.5Very high60 Ų6063.2 Ų63.231%0.31434%0.335SS..THydrogen-bonded Turntrans-126.442.4177.1-59.1176000109.8E68 Q97 F98 A103 V107E68-L105 HydrophobicContact CB-CB 3.87Å; E68-L105 HydrophobicContact CB-CD2 4.47Å; Q97-L105 HydrophobicContact CG-CD1 4.11Å; Q97-L105 CarbonylContact O-C 3.27Å; Q97-L105 WeakPolarHBondContact O-CA 3.38Å; Q97-L105 WeakPolarHBondContact O-CB 3.26Å; Q97-L105 PolarHBondContact O-N 3.47Å; Q97-L105 VanDerWaalsContact O-N 3.12Å; F98-L105 WeakPolarHBondContact CA-O 3.39Å; F98-L105 HydrophobicContact CD1-CB 3.81Å; F98-L105 WeakPolarHBondContact CD1-O 3.09Å; F98-L105 HydrophobicContact CE1-CB 3.88Å; F98-L105 HydrophobicContact CE1-CD1 3.9Å; F98-L105 HydrophobicContact CZ-CD1 4.45Å; A103-L105 PolarHBondContact O-N 3.28Å; A103-L105 VanDerWaalsContact O-N 3.13Å; L105-V107 PolarHBondContact O-N 3.23Å
106E97.6Very high95.4Very high76 Ų7664.2 Ų64.236%0.35535%0.349SS..  trans-51.7125.9-179.1-169-171.1179.600111.7F98 A103 R114F98-E106 WeakPolarHBondContact O-CA 3.5Å; A103-E106 HydrophobicContact CB-CB 4.12Å; A103-E106 PolarHBondContact O-N 2.64Å; E106-R114 IonicContact OE1-NH1 3.76Å; E106-R114 PolarHBondContact OE1-NH1 3.47Å
107V97.9Very high95.3Very high2 Ų260.2 Ų60.21%0.01233%0.328CS..  trans-90.5149.9174.1-67.40000111.4E68 F72 F98 I99 L105 L109 I136E68-V107 HydrophobicContact CB-CG1 4.44Å; E68-V107 HydrophobicContact CG-CG1 4.1Å; F72-V107 HydrophobicContact CB-CG1 3.62Å; F72-V107 HydrophobicContact CD1-CG1 4.23Å; F72-V107 HydrophobicContact CD1-CG2 4.17Å; F72-V107 HydrophobicContact CD2-CG2 4.43Å; F72-V107 HydrophobicContact CE1-CG2 4.39Å; F72-V107 HydrophobicContact CG-CG1 3.94Å; F72-V107 HydrophobicContact CG-CG2 4.17Å; F98-V107 HydrophobicContact CB-CG1 4.37Å; F98-V107 HydrophobicContact CB-CG2 4.34Å; F98-V107 HydrophobicContact CD1-CG1 4.39Å; F98-V107 WeakPolarHBondContact O-CG2 3Å; F98-V107 PolarHBondContact O-N 2.62Å; I99-V107 HydrophobicContact CD1-CG2 4.04Å; L105-V107 PolarHBondContact O-N 3.23Å; V107-L109 HydrophobicContact CG2-CD1 3.82Å; V107-L109 HydrophobicContact CG2-CG 3.93Å; V107-L109 PolarHBondContact O-N 2.74Å; V107-I136 HydrophobicContact CB-CD1 3.75Å; V107-I136 HydrophobicContact CB-CG1 4.11Å; V107-I136 HydrophobicContact CG2-CD1 4.1Å; V107-I136 HydrophobicContact CG2-CG1 4.13Å
108N96Very high95Very high124 Ų12461.1 Ų61.166%0.66334%0.335SS*.  trans-72.692.7-178.5-174.39.6000112.2L139N108-L139 HydrophobicContact CB-CD2 4.32Å
109L95.6Very high94.8Very high6 Ų665.2 Ų65.23%0.03136%0.364CS..  trans-119.1151.9173.3-62.9173.5000110.7I99 V107 T113 R114 A132 M135 I136I99-L109 HydrophobicContact CD1-CD1 3.37Å; V107-L109 HydrophobicContact CG2-CD1 3.82Å; V107-L109 HydrophobicContact CG2-CG 3.93Å; V107-L109 PolarHBondContact O-N 2.74Å; L109-T113 HydrophobicContact CD1-CG2 4.48Å; L109-T113 HydrophobicContact CD2-CG2 4.43Å; L109-R114 HydrophobicContact CB-CG 4.2Å; L109-R114 PolarHBondContact O-NH1 3.42Å; L109-A132 HydrophobicContact CD1-CB 3.83Å; L109-A132 HydrophobicContact CD2-CB 4.03Å; L109-M135 HydrophobicContact CD2-CB 4.1Å; L109-M135 HydrophobicContact CD2-CE 3.99Å; L109-M135 HydrophobicContact CD2-SD 4.04Å; L109-I136 HydrophobicContact CD2-CD1 3.91Å; L109-I136 HydrophobicContact CD2-CG1 4.08Å; L109-I136 HydrophobicContact CG-CD1 4.38Å
110D93.7Very high94.5Very high71 Ų7167.5 Ų67.538%0.3838%0.378SS..  trans-72159.9169.659.269.2000111.8E112 T113 R114 M135D110-E112 VanDerWaalsContact C-N 3.31Å; D110-E112 PolarHBondContact O-N 3.1Å; D110-E112 PolarHBondContact OD1-N 3.4Å; D110-T113 PolarHBondContact O-N 3.38Å; D110-T113 VanDerWaalsContact OD1-CB 3.31Å; D110-T113 WeakPolarHBondContact OD1-CB 3.27Å; D110-T113 PolarHBondContact OD1-N 3.27Å; D110-T113 PolarHBondContact OD1-OG1 2.73Å; D110-T113 PolarHBondContact OD2-OG1 3.17Å; D110-R114 PolarHBondContact O-N 3.37Å; D110-M135 WeakPolarHBondContact OD2-CE 3.21Å
111A93.6Very high94.3Very high48 Ų4866.4 Ų66.440%0.39737%0.372SS..Hα-helixtrans-63-38.1-176.900000112.4T113 R114 E115A111-T113 VanDerWaalsContact C-N 3.34Å; A111-T113 PolarHBondContact O-N 3Å; A111-R114 PolarHBondContact O-N 3.3Å; A111-E115 WeakPolarHBondContact O-CB 3.39Å; A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 3.22Å
112E94.4Very high94.2Very high158 Ų15870.7 Ų70.774%0.73839%0.391SS*.Hα-helixtrans-59.8-45.2178.8-178.3177.5-175.800111D110 E115 A116D110-E112 VanDerWaalsContact C-N 3.31Å; D110-E112 PolarHBondContact O-N 3.1Å; D110-E112 PolarHBondContact OD1-N 3.4Å; E112-E115 PolarHBondContact O-N 3.43Å; E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 2.89Å
113T94.4Very high94.2Very high11 Ų1167.9 Ų67.97%0.06738%0.382CS..Hα-helixtrans-64.7-41.8177.6-59.60000111.9L109 D110 A111 L117 A132 M135L109-T113 HydrophobicContact CD1-CG2 4.48Å; L109-T113 HydrophobicContact CD2-CG2 4.43Å; D110-T113 PolarHBondContact O-N 3.38Å; D110-T113 VanDerWaalsContact OD1-CB 3.31Å; D110-T113 WeakPolarHBondContact OD1-CB 3.27Å; D110-T113 PolarHBondContact OD1-N 3.27Å; D110-T113 PolarHBondContact OD1-OG1 2.73Å; D110-T113 PolarHBondContact OD2-OG1 3.17Å; A111-T113 VanDerWaalsContact C-N 3.34Å; A111-T113 PolarHBondContact O-N 3Å; T113-L117 WeakPolarHBondContact O-CG 3.44Å; T113-L117 PolarHBondContact O-N 3.32Å; T113-A132 HydrophobicContact CG2-CB 4.08Å; T113-M135 HydrophobicContact CG2-SD 4.01Å
114R94.9Very high94Very high51 Ų5169.3 Ų69.319%0.19239%0.388CS..Hα-helixtrans-63.6-45176.4-74.7-167-66.8-93.1-16.6112.2I99 E106 L109 D110 A111 L117 L118I99-R114 HydrophobicContact CG2-CB 4.46Å; I99-R114 HydrophobicContact CG2-CG 4.03Å; I99-R114 WeakPolarHBondContact O-CD 3.45Å; E106-R114 IonicContact OE1-NH1 3.76Å; E106-R114 PolarHBondContact OE1-NH1 3.47Å; L109-R114 HydrophobicContact CB-CG 4.2Å; L109-R114 PolarHBondContact O-NH1 3.42Å; D110-R114 PolarHBondContact O-N 3.37Å; A111-R114 PolarHBondContact O-N 3.3Å; R114-L117 PolarHBondContact O-N 3Å; R114-L118 PolarHBondContact O-N 2.85Å
115E93.7Very high93.8Very high137 Ų13767.4 Ų67.464%0.6438%0.377SS*.Hα-helixtrans-64.9-42.4178.8-73.3174.5-164.300111.6A111 E112 L117 L118 S119A111-E115 WeakPolarHBondContact O-CB 3.39Å; A111-E115 WeakPolarHBondContact O-CG 3.49Å; A111-E115 PolarHBondContact O-N 3.22Å; E112-E115 PolarHBondContact O-N 3.43Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 2.83Å; E115-L118 PolarHBondContact O-N 3.42Å; E115-S119 PolarHBondContact O-N 3.17Å
116A93.5Very high93.5Very high50 Ų5066.4 Ų66.441%0.41338%0.377SS..Hα-helixtrans-59.4-45.117500000111.5E112 S119 V120E112-A116 WeakPolarHBondContact O-CB 3.3Å; E112-A116 PolarHBondContact O-N 2.89Å; A116-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-OG 3.41Å; A116-V120 PolarHBondContact O-N 2.69Å
117L94.8Very high93.3Very high10 Ų1067.4 Ų67.45%0.05239%0.385CS..Hα-helixtrans-61-45175.4-77.9173.9000112.1I99 T113 R114 E115 S119 V120 M121 T128 F129 A132I99-L117 HydrophobicContact CD1-CD1 4.03Å; I99-L117 HydrophobicContact CG1-CD1 4.35Å; I99-L117 HydrophobicContact CG2-CD1 3.94Å; T113-L117 WeakPolarHBondContact O-CG 3.44Å; T113-L117 PolarHBondContact O-N 3.32Å; R114-L117 PolarHBondContact O-N 3Å; E115-L117 VanDerWaalsContact C-N 3.34Å; E115-L117 PolarHBondContact O-N 2.83Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.02Å; L117-V120 VanDerWaalsContact O-CG2 3.28Å; L117-V120 WeakPolarHBondContact O-CG2 3.24Å; L117-V120 PolarHBondContact O-N 3.44Å; L117-M121 WeakPolarHBondContact O-CE 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 2.93Å; L117-T128 HydrophobicContact CD2-CG2 4.18Å; L117-T128 WeakPolarHBondContact CD2-O 3.45Å; L117-F129 HydrophobicContact CD1-CD1 4.34Å; L117-F129 HydrophobicContact CD2-CD1 3.77Å; L117-F129 HydrophobicContact CD2-CE1 4.11Å; L117-A132 HydrophobicContact CD1-CB 3.88Å
118L92.9Very high93.3Very high97 Ų9768.2 Ų68.251%0.50839%0.39SS..Hα-helixtrans-58.9-39.6177.8179.458.6000111.8Y95 R114 E115 V120 M121Y95-L118 HydrophobicContact CE1-CD1 4.44Å; Y95-L118 HydrophobicContact CE2-CB 4.1Å; Y95-L118 HydrophobicContact CE2-CD1 4.22Å; R114-L118 PolarHBondContact O-N 2.85Å; E115-L118 PolarHBondContact O-N 3.42Å; L118-V120 PolarHBondContact O-N 2.84Å; L118-M121 PolarHBondContact O-N 3.01Å
119S92.9Very high93.3Very high90 Ų9062.5 Ų62.563%0.62936%0.359SS*.Hα-helixtrans-66.3-23.6-177.877.60000114.3E115 A116 L117E115-S119 PolarHBondContact O-N 3.17Å; A116-S119 PolarHBondContact O-N 2.95Å; A116-S119 PolarHBondContact O-OG 3.41Å; L117-S119 VanDerWaalsContact C-N 3.26Å; L117-S119 PolarHBondContact O-N 3.02Å
120V92.3Very high93.4Very high48 Ų4864.5 Ų64.529%0.29137%0.37SS..THydrogen-bonded Turntrans-103.53.3-177.2-58.30000113.3A116 L117 L118 D122 S123 T128A116-V120 PolarHBondContact O-N 2.69Å; L117-V120 VanDerWaalsContact O-CG2 3.28Å; L117-V120 WeakPolarHBondContact O-CG2 3.24Å; L117-V120 PolarHBondContact O-N 3.44Å; L118-V120 PolarHBondContact O-N 2.84Å; V120-D122 PolarHBondContact O-N 3.34Å; V120-D122 VanDerWaalsContact O-N 3.15Å; V120-S123 CarbonylContact O-C 3.4Å; V120-S123 VanDerWaalsContact O-C 3.27Å; V120-S123 PolarHBondContact O-N 3.11Å; V120-T128 HydrophobicContact CG2-CG2 3.98Å
121M89.6Confident93.5Very high30 Ų3066.6 Ų66.615%0.14838%0.381CS..THydrogen-bonded Turntrans-62.8-20.5-178.3-73.5-61101.200113.9A91 Y95 L117 L118 L124 T128 F129A91-M121 HydrophobicContact CB-SD 4.39Å; Y95-M121 HydrophobicContact CD2-CG 4.37Å; Y95-M121 HydrophobicContact CD2-SD 4.24Å; Y95-M121 HydrophobicContact CG-SD 4.49Å; L117-M121 WeakPolarHBondContact O-CE 3.28Å; L117-M121 WeakPolarHBondContact O-CG 3.42Å; L117-M121 PolarHBondContact O-N 2.93Å; L118-M121 PolarHBondContact O-N 3.01Å; M121-L124 HydrophobicContact CE-CD2 3.75Å; M121-L124 HydrophobicContact SD-CD2 4.16Å; M121-T128 HydrophobicContact CE-CG2 3.69Å; M121-F129 HydrophobicContact CE-CE1 4.12Å; M121-F129 HydrophobicContact CE-CZ 4.07Å
122D87.9Confident93.7Very high157 Ų15764.4 Ų64.484%0.8436%0.362SS*.THydrogen-bonded Turntrans-88.3-13.8174-72.5-38.9000113.7V120V120-D122 PolarHBondContact O-N 3.34Å; V120-D122 VanDerWaalsContact O-N 3.15Å
123S90.6Very high93.9Very high85 Ų8556.9 Ų56.959%0.59433%0.327SS*.SBendtrans-131.962.8-17764.60000111.4V120V120-S123 CarbonylContact O-C 3.4Å; V120-S123 VanDerWaalsContact O-C 3.27Å; V120-S123 PolarHBondContact O-N 3.11Å
124L93.1Very high94Very high40 Ų4061.2 Ų61.221%0.20935%0.347CS..  trans-71.7144.1-175.2-63.8171.6000113K88 A91 M121 T128K88-L124 HydrophobicContact CB-CD1 4.28Å; K88-L124 HydrophobicContact CG-CD1 4.44Å; A91-L124 HydrophobicContact CB-CD1 3.41Å; A91-L124 VanDerWaalsContact CB-CD1 3.41Å; A91-L124 HydrophobicContact CB-CD2 3.63Å; A91-L124 HydrophobicContact CB-CG 4.17Å; M121-L124 HydrophobicContact CE-CD2 3.75Å; M121-L124 HydrophobicContact SD-CD2 4.16Å; L124-T128 HydrophobicContact CD2-CG2 3.87Å
125C92.1Very high94.2Very high64 Ų6461.3 Ų61.343%0.43235%0.35SS..  trans-139.9173.2170.470.70000110.3Y79 D127 T128Y79-C125 WeakPolarHBondContact CE1-O 3.32Å; Y79-C125 PolarHBondContact OH-O 2.87Å; C125-D127 PolarHBondContact O-N 2.85Å; C125-D127 VanDerWaalsContact O-N 3.13Å; C125-T128 PolarHBondContact N-OG1 2.79Å; C125-T128 WeakPolarHBondContact O-CB 3.43Å; C125-T128 PolarHBondContact O-N 3.4Å; C125-T128 PolarHBondContact O-OG1 3.21Å
126A92.7Very high94.4Very high39 Ų3954.8 Ų54.832%0.32232%0.319SS..THydrogen-bonded Turntrans-59.9-26.5-178.300000113.3
127D93.9Very high94.6Very high97 Ų9754.7 Ų54.752%0.51931%0.309SS..THydrogen-bonded Turntrans-95.52.8-175.4-65.8-38.6000114C125 F129 N130C125-D127 PolarHBondContact O-N 2.85Å; C125-D127 VanDerWaalsContact O-N 3.13Å; D127-F129 PolarHBondContact O-N 3.35Å; D127-N130 VanDerWaalsContact CB-ND2 3.26Å; D127-N130 WeakPolarHBondContact CB-ND2 3.24Å; D127-N130 WeakPolarHBondContact O-CB 3.43Å; D127-N130 PolarHBondContact O-N 3.11Å; D127-N130 PolarHBondContact OD1-ND2 3.01Å
128T95.9Very high94.8Very high20 Ų2056.3 Ų56.312%0.12332%0.321CS..THydrogen-bonded Turntrans-48.3-40.2-174.5-68.70000113.4L117 V120 M121 L124 C125L117-T128 HydrophobicContact CD2-CG2 4.18Å; L117-T128 WeakPolarHBondContact CD2-O 3.45Å; V120-T128 HydrophobicContact CG2-CG2 3.98Å; M121-T128 HydrophobicContact CE-CG2 3.69Å; L124-T128 HydrophobicContact CD2-CG2 3.87Å; C125-T128 PolarHBondContact N-OG1 2.79Å; C125-T128 WeakPolarHBondContact O-CB 3.43Å; C125-T128 PolarHBondContact O-N 3.4Å; C125-T128 PolarHBondContact O-OG1 3.21Å
129F97.6Very high95Very high3 Ų354.5 Ų54.51%0.01331%0.311CS..THydrogen-bonded Turntrans-98.94.4-176.3-59.5-72.8000114.6C76 Y79 A91 I94 L117 M121 D127 L131 A132 Q133C76-F129 HydrophobicContact CB-CB 4.36Å; Y79-F129 AromaticContact CD1-CD2 3.58Å; Y79-F129 HydrophobicContact CD1-CD2 3.58Å; Y79-F129 AromaticContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD1-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CD2 4.4Å; Y79-F129 AromaticContact CD2-CE2 3.93Å; Y79-F129 HydrophobicContact CD2-CE2 3.93Å; Y79-F129 AromaticContact CE1-CD2 3.73Å; Y79-F129 HydrophobicContact CE1-CD2 3.73Å; Y79-F129 AromaticContact CE1-CE2 3.91Å; Y79-F129 HydrophobicContact CE1-CE2 3.91Å; Y79-F129 AromaticContact CE2-CE2 3.93Å; Y79-F129 HydrophobicContact CE2-CE2 3.93Å; Y79-F129 AromaticContact CG-CD2 3.93Å; Y79-F129 HydrophobicContact CG-CD2 3.93Å; Y79-F129 AromaticContact CG-CE2 3.94Å; Y79-F129 HydrophobicContact CG-CE2 3.94Å; Y79-F129 AromaticContact CZ-CE2 3.91Å; A91-F129 HydrophobicContact CB-CE2 4.01Å; A91-F129 HydrophobicContact CB-CZ 3.89Å; I94-F129 HydrophobicContact CB-CE1 4.36Å; I94-F129 HydrophobicContact CB-CE2 4.43Å; I94-F129 HydrophobicContact CB-CZ 4.04Å; I94-F129 HydrophobicContact CD1-CD2 4.15Å; I94-F129 HydrophobicContact CD1-CE2 3.85Å; I94-F129 HydrophobicContact CD1-CZ 4.32Å; I94-F129 HydrophobicContact CG2-CD1 4.04Å; I94-F129 HydrophobicContact CG2-CE1 3.7Å; I94-F129 HydrophobicContact CG2-CE2 4.34Å; I94-F129 HydrophobicContact CG2-CZ 3.86Å; L117-F129 HydrophobicContact CD1-CD1 4.34Å; L117-F129 HydrophobicContact CD2-CD1 3.77Å; L117-F129 HydrophobicContact CD2-CE1 4.11Å; M121-F129 HydrophobicContact CE-CE1 4.12Å; M121-F129 HydrophobicContact CE-CZ 4.07Å; D127-F129 PolarHBondContact O-N 3.35Å; F129-L131 PolarHBondContact O-N 3.17Å; F129-A132 PolarHBondContact O-N 3.47Å; F129-Q133 VanDerWaalsContact O-CB 3.25Å; F129-Q133 WeakPolarHBondContact O-CB 3.5Å; F129-Q133 PolarHBondContact O-N 3.41Å
130N96.4Very high95.2Very high49 Ų4950.2 Ų50.226%0.26228%0.281SS..Hα-helixtrans-56.3-47-170.8-77.9-2.2000113.3R80 D127 Q133 Q134R80-N130 PolarHBondContact NH1-OD1 3.32Å; D127-N130 VanDerWaalsContact CB-ND2 3.26Å; D127-N130 WeakPolarHBondContact CB-ND2 3.24Å; D127-N130 WeakPolarHBondContact O-CB 3.43Å; D127-N130 PolarHBondContact O-N 3.11Å; D127-N130 PolarHBondContact OD1-ND2 3.01Å; N130-Q133 PolarHBondContact O-N 2.96Å; N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 VanDerWaalsContact O-CG 3.24Å; N130-Q134 WeakPolarHBondContact O-CG 3.25Å; N130-Q134 PolarHBondContact O-N 3.33Å
131L96.4Very high95.4Very high115 Ų11549.4 Ų49.460%0.60228%0.28SS*.Hα-helixtrans-61.8-53.5-178.8177.760.4000111.4F129 Q133 Q134 M135F129-L131 PolarHBondContact O-N 3.17Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.48Å; L131-Q134 PolarHBondContact O-N 3.31Å; L131-M135 HydrophobicContact CD1-SD 4.49Å; L131-M135 HydrophobicContact CG-SD 4.27Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.46Å
132A97.8Very high95.8Very high1 Ų156.1 Ų56.11%0.00831%0.308CS..Hα-helixtrans-60.6-42.9179.500000111.8F72 L109 T113 L117 F129 Q134 M135 I136F72-A132 HydrophobicContact CE1-CB 4.27Å; F72-A132 HydrophobicContact CZ-CB 3.86Å; L109-A132 HydrophobicContact CD1-CB 3.83Å; L109-A132 HydrophobicContact CD2-CB 4.03Å; T113-A132 HydrophobicContact CG2-CB 4.08Å; L117-A132 HydrophobicContact CD1-CB 3.88Å; F129-A132 PolarHBondContact O-N 3.47Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.34Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 2.79Å; A132-I136 WeakPolarHBondContact O-CG1 3.24Å; A132-I136 PolarHBondContact O-N 3.11Å
133Q98.3Very high96.2Very high1 Ų152.3 Ų52.31%0.00529%0.288CS..Hα-helixtrans-60.5-41.8176.3-170.3-16923.500112W73 C76 E77 F129 N130 L131 I136 Y137W73-Q133 VanDerWaalsContact CD1-CG 3.41Å; W73-Q133 HydrophobicContact CG-CG 4.12Å; W73-Q133 PolarHBondContact O-NE2 3.24Å; W73-Q133 VanDerWaalsContact O-NE2 3.12Å; C76-Q133 HydrophobicContact CB-CB 4.02Å; C76-Q133 VanDerWaalsContact CB-CD 3.4Å; C76-Q133 HydrophobicContact CB-CG 3.69Å; E77-Q133 PolarHBondContact OE1-NE2 2.91Å; F129-Q133 VanDerWaalsContact O-CB 3.25Å; F129-Q133 WeakPolarHBondContact O-CB 3.5Å; F129-Q133 PolarHBondContact O-N 3.41Å; N130-Q133 PolarHBondContact O-N 2.96Å; L131-Q133 VanDerWaalsContact C-N 3.33Å; L131-Q133 PolarHBondContact O-N 3.48Å; Q133-I136 PolarHBondContact O-N 3.41Å; Q133-Y137 VanDerWaalsContact O-CB 3.32Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 3.48Å
134Q97.8Very high96.5Very high102 Ų10248.4 Ų48.448%0.47726%0.26SS..Hα-helixtrans-67.4-35177.4-73-57.6-46.300112.8N130 L131 A132 S138N130-Q134 WeakPolarHBondContact O-CB 3.38Å; N130-Q134 VanDerWaalsContact O-CG 3.24Å; N130-Q134 WeakPolarHBondContact O-CG 3.25Å; N130-Q134 PolarHBondContact O-N 3.33Å; L131-Q134 PolarHBondContact O-N 3.31Å; A132-Q134 VanDerWaalsContact C-N 3.33Å; A132-Q134 PolarHBondContact O-N 3.34Å; Q134-S138 VanDerWaalsContact O-CB 3.29Å; Q134-S138 WeakPolarHBondContact O-CB 3.31Å; Q134-S138 PolarHBondContact O-N 3.19Å; Q134-S138 PolarHBondContact O-OG 2.62Å
135M97.9Very high96.7Very high52 Ų5247.3 Ų47.326%0.25625%0.254SS..Hα-helixtrans-63.1-48.3173.4-68.6169.668.900111.3L109 D110 T113 L131 A132 S138 L139L109-M135 HydrophobicContact CD2-CB 4.1Å; L109-M135 HydrophobicContact CD2-CE 3.99Å; L109-M135 HydrophobicContact CD2-SD 4.04Å; D110-M135 WeakPolarHBondContact OD2-CE 3.21Å; T113-M135 HydrophobicContact CG2-SD 4.01Å; L131-M135 HydrophobicContact CD1-SD 4.49Å; L131-M135 HydrophobicContact CG-SD 4.27Å; L131-M135 WeakPolarHBondContact O-CG 3.4Å; L131-M135 PolarHBondContact O-N 3.46Å; A132-M135 WeakPolarHBondContact O-CB 3.48Å; A132-M135 PolarHBondContact O-N 2.79Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 3.01Å; M135-L139 PolarHBondContact O-N 3.38Å
136I98.4Very high96.9Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-68.5-38.5179.5-61.6-51.2000111.9N69 F72 V107 L109 A132 Q133 S138 L139 M140N69-I136 HydrophobicContact CB-CG2 3.61Å; N69-I136 VanDerWaalsContact O-CG2 3.29Å; N69-I136 WeakPolarHBondContact O-CG2 3.34Å; F72-I136 HydrophobicContact CD1-CB 3.92Å; F72-I136 HydrophobicContact CD1-CG1 3.64Å; F72-I136 HydrophobicContact CD1-CG2 4.05Å; F72-I136 HydrophobicContact CE1-CB 4.14Å; F72-I136 HydrophobicContact CE1-CG1 3.67Å; V107-I136 HydrophobicContact CB-CD1 3.75Å; V107-I136 HydrophobicContact CB-CG1 4.11Å; V107-I136 HydrophobicContact CG2-CD1 4.1Å; V107-I136 HydrophobicContact CG2-CG1 4.13Å; L109-I136 HydrophobicContact CD2-CD1 3.91Å; L109-I136 HydrophobicContact CD2-CG1 4.08Å; L109-I136 HydrophobicContact CG-CD1 4.38Å; A132-I136 WeakPolarHBondContact O-CG1 3.24Å; A132-I136 PolarHBondContact O-N 3.11Å; Q133-I136 PolarHBondContact O-N 3.41Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.08Å; I136-L139 HydrophobicContact CD1-CD2 4.37Å; I136-L139 WeakPolarHBondContact O-CB 3.12Å; I136-L139 PolarHBondContact O-N 2.99Å; I136-M140 HydrophobicContact CG2-CE 4.33Å; I136-M140 PolarHBondContact O-N 2.79Å
137Y98.2Very high97Very high48 Ų4848.2 Ų48.219%0.18825%0.246CC..Hα-helixtrans-57.3-47.2170.4179.6-92.7000111.2L44 E45 L48 W73 Q133 L139 M140 A141L44-Y137 HydrophobicContact CB-CE2 4.15Å; L44-Y137 HydrophobicContact CD2-CD2 3.85Å; L44-Y137 HydrophobicContact CD2-CE2 3.58Å; L44-Y137 HydrophobicContact CD2-CG 4.44Å; L44-Y137 HydrophobicContact CG-CD2 4.37Å; L44-Y137 HydrophobicContact CG-CE2 3.68Å; E45-Y137 PolarHBondContact N-OH 3.13Å; L48-Y137 HydrophobicContact CD1-CD2 4.09Å; L48-Y137 HydrophobicContact CD1-CE2 3.9Å; W73-Y137 AromaticContact NE1-CD2 3.59Å; Q133-Y137 VanDerWaalsContact O-CB 3.32Å; Q133-Y137 WeakPolarHBondContact O-CB 3.33Å; Q133-Y137 PolarHBondContact O-N 3.48Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 3.16Å; Y137-M140 PolarHBondContact O-N 3.41Å; Y137-A141 HydrophobicContact CE1-CB 4.4Å; Y137-A141 VanDerWaalsContact O-CB 3.28Å; Y137-A141 WeakPolarHBondContact O-CB 3.29Å; Y137-A141 PolarHBondContact O-N 2.88Å
138S97.5Very high97.1Very high45 Ų4543.6 Ų43.632%0.31522%0.222SC..Hα-helixtrans-63.9-36.6178.9-65.60000112.6Q134 M135 I136 A141 K142Q134-S138 VanDerWaalsContact O-CB 3.29Å; Q134-S138 WeakPolarHBondContact O-CB 3.31Å; Q134-S138 PolarHBondContact O-N 3.19Å; Q134-S138 PolarHBondContact O-OG 2.62Å; M135-S138 WeakPolarHBondContact O-CB 3.38Å; M135-S138 PolarHBondContact O-N 3.01Å; I136-S138 VanDerWaalsContact C-N 3.32Å; I136-S138 PolarHBondContact O-N 3.08Å; S138-A141 PolarHBondContact O-N 3.08Å; S138-K142 WeakPolarHBondContact O-CB 3.39Å; S138-K142 VanDerWaalsContact O-CG 3.24Å; S138-K142 WeakPolarHBondContact O-CG 3.48Å; S138-K142 PolarHBondContact O-N 3.35Å
139L97.3Very high97Very high58 Ų5846.1 Ų46.130%0.30423%0.234SC..Hα-helixtrans-60.5-53.9174176.864.6000110.4N108 M135 I136 Y137 A141 K142 D143N108-L139 HydrophobicContact CB-CD2 4.32Å; M135-L139 PolarHBondContact O-N 3.38Å; I136-L139 HydrophobicContact CD1-CD2 4.37Å; I136-L139 WeakPolarHBondContact O-CB 3.12Å; I136-L139 PolarHBondContact O-N 2.99Å; Y137-L139 VanDerWaalsContact C-N 3.32Å; Y137-L139 PolarHBondContact O-N 3.16Å; L139-A141 VanDerWaalsContact C-N 3.33Å; L139-A141 PolarHBondContact O-N 2.8Å; L139-K142 PolarHBondContact O-N 3.22Å; L139-D143 PolarHBondContact O-N 3.2Å
140M97.9Very high96.8Very high0 Ų055 Ų550%027%0.267CS..Hα-helixtrans-59.7-43177-70.2-169.9-69.800111.8L44 F57 L61 N69 L70 W73 I136 Y137 K142 S144 F145L44-M140 HydrophobicContact CD2-CB 3.91Å; F57-M140 HydrophobicContact CE1-SD 3.94Å; F57-M140 HydrophobicContact CZ-CB 4.41Å; F57-M140 HydrophobicContact CZ-SD 4.44Å; L61-M140 HydrophobicContact CD1-SD 4.16Å; N69-M140 HydrophobicContact CB-CG 3.71Å; N69-M140 HydrophobicContact CB-SD 3.71Å; L70-M140 HydrophobicContact CB-SD 4.12Å; W73-M140 HydrophobicContact CB-CE 3.98Å; W73-M140 HydrophobicContact CG-CE 4.24Å; I136-M140 HydrophobicContact CG2-CE 4.33Å; I136-M140 PolarHBondContact O-N 2.79Å; Y137-M140 PolarHBondContact O-N 3.41Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.42Å; M140-S144 PolarHBondContact O-N 3.24Å; M140-S144 VanDerWaalsContact O-N 3.17Å; M140-F145 VanDerWaalsContact O-CB 3.28Å; M140-F145 WeakPolarHBondContact O-CB 3.42Å; M140-F145 PolarHBondContact O-N 2.99Å
141A97.1Very high96.7Very high31 Ų3153.6 Ų53.626%0.25626%0.262SS..Hα-helixtrans-64.5-34.8-178.700000113L44 Y137 S138 L139 P146L44-A141 HydrophobicContact CD2-CB 3.86Å; Y137-A141 HydrophobicContact CE1-CB 4.4Å; Y137-A141 VanDerWaalsContact O-CB 3.28Å; Y137-A141 WeakPolarHBondContact O-CB 3.29Å; Y137-A141 PolarHBondContact O-N 2.88Å; S138-A141 PolarHBondContact O-N 3.08Å; L139-A141 VanDerWaalsContact C-N 3.33Å; L139-A141 PolarHBondContact O-N 2.8Å; A141-P146 VanDerWaalsContact O-CD 3.3Å; A141-P146 WeakPolarHBondContact O-CD 3.31Å
142K96.3Very high96.4Very high172 Ų17253.6 Ų53.675%0.74826%0.258SS*.Hα-helixtrans-86.3-30.4-177.8-71.4173.6-176.5174.80113.3S138 L139 M140S138-K142 WeakPolarHBondContact O-CB 3.39Å; S138-K142 VanDerWaalsContact O-CG 3.24Å; S138-K142 WeakPolarHBondContact O-CG 3.48Å; S138-K142 PolarHBondContact O-N 3.35Å; L139-K142 PolarHBondContact O-N 3.22Å; M140-K142 VanDerWaalsContact C-N 3.32Å; M140-K142 PolarHBondContact O-N 3.42Å
143D96.5Very high96.1Very high76 Ų7655.1 Ų55.141%0.40627%0.265SS..THydrogen-bonded Turntrans-114-69.7-174.3-178.948.2000113.2L139 F145 P146 R147L139-D143 PolarHBondContact O-N 3.2Å; D143-F145 PolarHBondContact O-N 3.44Å; D143-P146 WeakPolarHBondContact O-CD 3.3Å; D143-R147 PolarHBondContact O-NE 3.33Å; D143-R147 IonicContact OD1-CZ 3.88Å; D143-R147 IonicContact OD1-NE 3.13Å; D143-R147 PolarHBondContact OD1-NE 3.22Å; D143-R147 VanDerWaalsContact OD1-NE 3.1Å; D143-R147 IonicContact OD1-NH2 3.61Å; D143-R147 IonicContact OD2-CZ 3.11Å; D143-R147 IonicContact OD2-NE 3.54Å; D143-R147 IonicContact OD2-NH2 2.64Å; D143-R147 PolarHBondContact OD2-NH2 3.48Å
144S97.3Very high95.6Very high3 Ų355.3 Ų55.32%0.02127%0.266CS..Hα-helixtrans-66.3-40.4-172.1-48.70000113.1F60 L61 M140 R147 F148F60-S144 VanDerWaalsContact CE1-O 3.24Å; F60-S144 WeakPolarHBondContact CE1-O 3.12Å; L61-S144 VanDerWaalsContact CD2-CB 3.47Å; M140-S144 PolarHBondContact O-N 3.24Å; M140-S144 VanDerWaalsContact O-N 3.17Å; S144-R147 PolarHBondContact O-N 3.35Å; S144-F148 WeakPolarHBondContact O-CB 3.33Å; S144-F148 PolarHBondContact O-N 2.76Å
145F96.9Very high94.9Very high17 Ų1752.7 Ų52.78%0.07526%0.262CS..Hα-helixtrans-65.3-47.5-175.1177.7-115.4000113.2L44 L47 F57 M140 D143 R147 F148 L149L44-F145 HydrophobicContact CB-CD1 4.13Å; L44-F145 HydrophobicContact CB-CD2 4.28Å; L44-F145 HydrophobicContact CB-CE1 4.36Å; L44-F145 HydrophobicContact CB-CG 4.09Å; L44-F145 HydrophobicContact CD1-CB 4.31Å; L44-F145 HydrophobicContact CD1-CD2 3.92Å; L44-F145 HydrophobicContact CD1-CG 4.2Å; L47-F145 HydrophobicContact CB-CE2 4.29Å; L47-F145 HydrophobicContact CD2-CD2 3.76Å; L47-F145 HydrophobicContact CD2-CE2 3.76Å; F57-F145 HydrophobicContact CE2-CB 4.49Å; F57-F145 HydrophobicContact CZ-CB 4.44Å; M140-F145 VanDerWaalsContact O-CB 3.28Å; M140-F145 WeakPolarHBondContact O-CB 3.42Å; M140-F145 PolarHBondContact O-N 2.99Å; D143-F145 PolarHBondContact O-N 3.44Å; F145-R147 PolarHBondContact O-N 3.33Å; F145-F148 HydrophobicContact CD2-CD1 4.15Å; F145-F148 HydrophobicContact CE2-CD1 4.27Å; F145-F148 WeakPolarHBondContact O-CB 3.34Å; F145-F148 PolarHBondContact O-N 3.24Å; F145-F148 VanDerWaalsContact O-N 3.16Å; F145-L149 HydrophobicContact CD1-CD1 4.36Å; F145-L149 HydrophobicContact CD2-CG 4.41Å; F145-L149 HydrophobicContact CE1-CD1 3.85Å; F145-L149 HydrophobicContact CE1-CG 4.39Å; F145-L149 HydrophobicContact CE2-CD1 4.34Å; F145-L149 HydrophobicContact CE2-CD2 3.84Å; F145-L149 HydrophobicContact CE2-CG 4.02Å; F145-L149 HydrophobicContact CZ-CD1 3.84Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.28Å; F145-L149 PolarHBondContact O-N 3.46Å
146P95.7Very high93.9Very high49 Ų4955.7 Ų55.732%0.31828%0.276SS..Hα-helixtrans-59.7-28.9172.7-26.534.4000114.3A141 D143 R150A141-P146 VanDerWaalsContact O-CD 3.3Å; A141-P146 WeakPolarHBondContact O-CD 3.31Å; D143-P146 WeakPolarHBondContact O-CD 3.3Å; P146-R150 PolarHBondContact O-NE 2.68Å
147R96.3Very high93Very high73 Ų7356 Ų5628%0.27528%0.278SS..Hα-helixtrans-77.5-41.3175.1-66.5-174.1-67.31073.1110.9F60 E64 D143 S144 F145 L149 R150 S151F60-R147 HydrophobicContact CZ-CB 3.71Å; E64-R147 IonicContact OE1-CZ 2.75Å; E64-R147 IonicContact OE1-NH1 2.7Å; E64-R147 PolarHBondContact OE1-NH1 3.22Å; E64-R147 IonicContact OE2-CZ 3.03Å; E64-R147 IonicContact OE2-NH1 2.75Å; E64-R147 PolarHBondContact OE2-NH1 3.3Å; E64-R147 IonicContact OE2-NH2 3.93Å; E64-R147 PolarHBondContact OE2-NH2 2.75Å; D143-R147 PolarHBondContact O-NE 3.33Å; D143-R147 IonicContact OD1-CZ 3.88Å; D143-R147 IonicContact OD1-NE 3.13Å; D143-R147 PolarHBondContact OD1-NE 3.22Å; D143-R147 VanDerWaalsContact OD1-NE 3.1Å; D143-R147 IonicContact OD1-NH2 3.61Å; D143-R147 IonicContact OD2-CZ 3.11Å; D143-R147 IonicContact OD2-NE 3.54Å; D143-R147 IonicContact OD2-NH2 2.64Å; D143-R147 PolarHBondContact OD2-NH2 3.48Å; S144-R147 PolarHBondContact O-N 3.35Å; F145-R147 PolarHBondContact O-N 3.33Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 2.99Å; R147-R150 PolarHBondContact O-N 2.78Å; R147-R150 VanDerWaalsContact O-N 3.08Å; R147-S151 PolarHBondContact O-N 2.83Å
148F96.1Very high92.1Very high0 Ų057.9 Ų57.90%029%0.29CS..Hα-helixtrans-54.4-47.5172167.8-104.9000112L41 L47 A56 F57 F60 S144 F145 R150 S151 H153 C154L41-F148 HydrophobicContact CD1-CE1 4.42Å; L47-F148 HydrophobicContact CD1-CD1 4.44Å; L47-F148 HydrophobicContact CD1-CE1 3.51Å; L47-F148 HydrophobicContact CD1-CZ 3.88Å; L47-F148 HydrophobicContact CD2-CD1 4.08Å; L47-F148 HydrophobicContact CD2-CE1 3.93Å; L47-F148 HydrophobicContact CG-CE1 4.4Å; A56-F148 HydrophobicContact CB-CE2 4.08Å; A56-F148 HydrophobicContact CB-CZ 4.15Å; F57-F148 HydrophobicContact CB-CE2 4.33Å; F57-F148 HydrophobicContact CB-CZ 4.47Å; F57-F148 HydrophobicContact CD2-CB 3.73Å; F57-F148 AromaticContact CD2-CD1 3.98Å; F57-F148 HydrophobicContact CD2-CD1 3.98Å; F57-F148 AromaticContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CD2 3.77Å; F57-F148 HydrophobicContact CD2-CE2 4.36Å; F57-F148 AromaticContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CD2-CG 3.53Å; F57-F148 HydrophobicContact CE2-CB 3.73Å; F57-F148 HydrophobicContact CE2-CG 4.06Å; F60-F148 HydrophobicContact CB-CD2 3.66Å; F60-F148 HydrophobicContact CB-CE2 4.32Å; F60-F148 HydrophobicContact CD1-CB 3.64Å; F60-F148 HydrophobicContact CD1-CD2 4.09Å; F60-F148 HydrophobicContact CD1-CG 4.32Å; F60-F148 HydrophobicContact CD2-CB 4.44Å; F60-F148 HydrophobicContact CD2-CD2 4.39Å; F60-F148 HydrophobicContact CE1-CB 3.72Å; F60-F148 HydrophobicContact CG-CB 4.01Å; F60-F148 AromaticContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CD2 3.78Å; F60-F148 HydrophobicContact CG-CG 4.4Å; F60-F148 HydrophobicContact CZ-CB 4.16Å; F60-F148 VanDerWaalsContact CZ-N 3.31Å; S144-F148 WeakPolarHBondContact O-CB 3.33Å; S144-F148 PolarHBondContact O-N 2.76Å; F145-F148 HydrophobicContact CD2-CD1 4.15Å; F145-F148 HydrophobicContact CE2-CD1 4.27Å; F145-F148 WeakPolarHBondContact O-CB 3.34Å; F145-F148 PolarHBondContact O-N 3.24Å; F145-F148 VanDerWaalsContact O-N 3.16Å; F148-R150 PolarHBondContact O-N 3.48Å; F148-R150 VanDerWaalsContact O-N 3.08Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3.36Å; F148-S151 PolarHBondContact O-N 3.03Å; F148-S151 PolarHBondContact O-OG 3.14Å; F148-H153 HydrophobicContact CD2-CB 4.29Å; F148-H153 HydrophobicContact CE2-CB 3.97Å; F148-C154 HydrophobicContact CD1-CB 4.16Å; F148-C154 HydrophobicContact CD2-CB 4.26Å; F148-C154 HydrophobicContact CE1-CB 3.77Å; F148-C154 HydrophobicContact CE2-CB 3.91Å; F148-C154 HydrophobicContact CG-CB 4.4Å; F148-C154 HydrophobicContact CZ-CB 3.65Å; F148-C154 WeakPolarHBondContact O-CB 3.16Å
149L93.3Very high90.8Very high73 Ų7363.7 Ų63.738%0.38231%0.31SS..THydrogen-bonded Turntrans-58.7-24.6-179.9-69.2178.7000113.5F145 R147F145-L149 HydrophobicContact CD1-CD1 4.36Å; F145-L149 HydrophobicContact CD2-CG 4.41Å; F145-L149 HydrophobicContact CE1-CD1 3.85Å; F145-L149 HydrophobicContact CE1-CG 4.39Å; F145-L149 HydrophobicContact CE2-CD1 4.34Å; F145-L149 HydrophobicContact CE2-CD2 3.84Å; F145-L149 HydrophobicContact CE2-CG 4.02Å; F145-L149 HydrophobicContact CZ-CD1 3.84Å; F145-L149 HydrophobicContact CZ-CD2 3.9Å; F145-L149 HydrophobicContact CZ-CG 4.02Å; F145-L149 WeakPolarHBondContact O-CG 3.28Å; F145-L149 PolarHBondContact O-N 3.46Å; R147-L149 VanDerWaalsContact C-N 3.34Å; R147-L149 PolarHBondContact O-N 2.99Å
150R92.8Very high89.1Confident189 Ų18964.1 Ų64.171%0.71332%0.322SS*.THydrogen-bonded Turntrans-96.6-3.8177-66.1178-72.9-177.41.9113.3P146 R147 F148P146-R150 PolarHBondContact O-NE 2.68Å; R147-R150 PolarHBondContact O-N 2.78Å; R147-R150 VanDerWaalsContact O-N 3.08Å; F148-R150 PolarHBondContact O-N 3.48Å; F148-R150 VanDerWaalsContact O-N 3.08Å
151S93.8Very high87.1Confident21 Ų2172 Ų7215%0.14735%0.353CS..SBendtrans-87.5160.9-176.179.60000112.4R147 F148 H153 C154 A155R147-S151 PolarHBondContact O-N 2.83Å; F148-S151 VanDerWaalsContact O-CB 3.31Å; F148-S151 WeakPolarHBondContact O-CB 3.36Å; F148-S151 PolarHBondContact O-N 3.03Å; F148-S151 PolarHBondContact O-OG 3.14Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.35Å; S151-H153 PolarHBondContact OG-N 3.12Å; S151-C154 PolarHBondContact O-N 3.04Å; S151-A155 PolarHBondContact O-N 3.16Å
152H91.8Very high86.6Confident115 Ų11574.1 Ų74.153%0.53236%0.358SS..Hα-helixtrans-63.6-31.3173.164.6-79000112.5C154 A155 E156H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.22Å; H152-A155 WeakPolarHBondContact O-CB 3.47Å; H152-A155 PolarHBondContact O-N 3.41Å; H152-A155 VanDerWaalsContact O-N 3.11Å; H152-E156 IonicContact CD2-OE1 3.7Å; H152-E156 WeakPolarHBondContact O-CG 3.45Å; H152-E156 PolarHBondContact O-N 3.44Å
153H90.9Very high86.1Confident32 Ų3268.9 Ų68.915%0.14834%0.337CS..Hα-helixtrans-56.4-42.7175.9-61.795.8000112.3F60 F148 S151 A157F60-H153 HydrophobicContact CB-CB 4.03Å; F60-H153 AromaticContact CD2-ND1 3.83Å; F148-H153 HydrophobicContact CD2-CB 4.29Å; F148-H153 HydrophobicContact CE2-CB 3.97Å; S151-H153 VanDerWaalsContact C-N 3.26Å; S151-H153 PolarHBondContact O-N 3.35Å; S151-H153 PolarHBondContact OG-N 3.12Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.83Å
154C87.7Confident85.5Confident5 Ų568.5 Ų68.53%0.03433%0.333CS..Hα-helixtrans-67.9-42.9175.9-178.20000111.4F148 S151 H152 E156 A157 I158F148-C154 HydrophobicContact CD1-CB 4.16Å; F148-C154 HydrophobicContact CD2-CB 4.26Å; F148-C154 HydrophobicContact CE1-CB 3.77Å; F148-C154 HydrophobicContact CE2-CB 3.91Å; F148-C154 HydrophobicContact CG-CB 4.4Å; F148-C154 HydrophobicContact CZ-CB 3.65Å; F148-C154 WeakPolarHBondContact O-CB 3.16Å; S151-C154 PolarHBondContact O-N 3.04Å; H152-C154 VanDerWaalsContact C-N 3.3Å; H152-C154 PolarHBondContact O-N 3.22Å; C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 2.75Å; C154-A157 WeakPolarHBondContact O-CB 3.32Å; C154-A157 PolarHBondContact O-N 2.9Å; C154-I158 WeakPolarHBondContact O-CG1 3.41Å; C154-I158 PolarHBondContact O-N 3.46Å
155A82.4Confident84.8Confident47 Ų4772.4 Ų72.439%0.38835%0.352SS..Hα-helixtrans-62.1-35.717800000112.8S151 H152 K159S151-A155 PolarHBondContact O-N 3.16Å; H152-A155 WeakPolarHBondContact O-CB 3.47Å; H152-A155 PolarHBondContact O-N 3.41Å; H152-A155 VanDerWaalsContact O-N 3.11Å; A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.42Å; A155-K159 PolarHBondContact O-N 3.35Å
156E78.1Confident84.1Confident116 Ų11675.8 Ų75.854%0.54237%0.369SS..Hα-helixtrans-70.6-42.9173.7-73.1175.3-174.800112H152 C154 I158 K159 A160H152-E156 IonicContact CD2-OE1 3.7Å; H152-E156 WeakPolarHBondContact O-CG 3.45Å; H152-E156 PolarHBondContact O-N 3.44Å; C154-E156 VanDerWaalsContact C-N 3.29Å; C154-E156 PolarHBondContact O-N 2.75Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 3.04Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 VanDerWaalsContact O-N 3.11Å; E156-A160 PolarHBondContact O-N 3.01Å
157A79.8Confident83.3Confident5 Ų577.6 Ų77.64%0.04137%0.372CS..Hα-helixtrans-57.6-42.8176.200000111.9I52 A56 H153 C154 K159 A160 Y161I52-A157 HydrophobicContact CG2-CB 4.39Å; A56-A157 HydrophobicContact CB-CB 3.56Å; H153-A157 WeakPolarHBondContact O-CB 3.49Å; H153-A157 PolarHBondContact O-N 2.83Å; C154-A157 WeakPolarHBondContact O-CB 3.32Å; C154-A157 PolarHBondContact O-N 2.9Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.08Å; A157-A160 PolarHBondContact O-N 3.35Å; A157-Y161 WeakPolarHBondContact O-CD2 3.19Å
158I77.7Confident82.3Confident88 Ų8877.9 Ų77.945%0.45138%0.379SS..Hα-helixtrans-66.2-33.1178.1-67.4167.8000111.9C154 E156 A160C154-I158 WeakPolarHBondContact O-CG1 3.41Å; C154-I158 PolarHBondContact O-N 3.46Å; E156-I158 VanDerWaalsContact C-N 3.29Å; E156-I158 PolarHBondContact O-N 3.04Å; I158-A160 VanDerWaalsContact C-N 3.29Å
159K71.4Confident81.3Confident168 Ų16883.9 Ų83.973%0.7341%0.409SS*.Hα-helixtrans-74.2-20176.7-71.4170.5-173.4175.40113.4A155 E156 A157 Y161A155-K159 VanDerWaalsContact O-CG 3.31Å; A155-K159 WeakPolarHBondContact O-CG 3.42Å; A155-K159 PolarHBondContact O-N 3.35Å; E156-K159 PolarHBondContact O-N 2.75Å; E156-K159 VanDerWaalsContact O-N 3.11Å; A157-K159 VanDerWaalsContact C-N 3.33Å; A157-K159 PolarHBondContact O-N 3.08Å; K159-Y161 VanDerWaalsContact C-N 3.32Å
160A61.3Low80.3Confident67 Ų6784.8 Ų84.855%0.55441%0.411SS*.THydrogen-bonded Turntrans-87.5-3.1179.500000113.3I52 E156 A157 I158I52-A160 HydrophobicContact CG2-CB 4.36Å; E156-A160 PolarHBondContact O-N 3.01Å; A157-A160 PolarHBondContact O-N 3.35Å; I158-A160 VanDerWaalsContact C-N 3.29Å
161Y55.7Low79.1Confident165 Ų16575.4 Ų75.465%0.64738%0.383SS*.  trans-87.20167.8-88.8-83000111.2S50 I52 A157 K159S50-Y161 WeakPolarHBondContact CB-OH 3.47Å; S50-Y161 PolarHBondContact OG-OH 3.43Å; I52-Y161 HydrophobicContact CB-CE2 4.28Å; I52-Y161 HydrophobicContact CG2-CE2 4.31Å; A157-Y161 WeakPolarHBondContact O-CD2 3.19Å; K159-Y161 VanDerWaalsContact C-N 3.32Å

Retrieved 161 of 161 residues in 45.8 ms (Link to these results)