A0A096MLY0_PAPAN Loading...

U3 small nucleolar RNA-associated protein 11

Involved in nucleolar processing of pre-18S ribosomal RNA.

AlphaFold DB (A0A0D9S7Q2), UniProt , Accession A0A096MLY0, Species PAPAN (Papio anubis, Olive baboon), Gene UTP11, Length 253 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M54Low68.7Low191 Ų191111.3 Ų111.394%0.94162%0.623SS**  0101.90-83.2-82.7-157.400110
2A59.7Low69.5Low60 Ų60121 Ų12150%0.49664%0.643SS.*  trans-60.1146.6-178.300000112.1A4 F5A2-A4 PolarHBondContact O-N 3.27Å; A2-F5 HydrophobicContact CB-CD2 4.19Å; A2-F5 PolarHBondContact O-N 3.48Å
3A69.5Low70.5Confident72 Ų72122.7 Ų122.760%0.59565%0.645SS**Hα-helixtrans-55.6-24.4-176.900000113.9R6 K7A3-R6 PolarHBondContact O-N 3.36Å; A3-K7 PolarHBondContact O-N 3.48Å
4A68.9Low71.3Confident68 Ų68129.8 Ų129.856%0.56266%0.658SS**Hα-helixtrans-60.5-43.6175.300000112.9A2 R6 K7 A8A2-A4 PolarHBondContact O-N 3.27Å; A4-R6 PolarHBondContact O-N 3.27Å; A4-K7 PolarHBondContact O-N 3.37Å; A4-A8 PolarHBondContact O-N 3.4Å; A4-A8 VanDerWaalsContact O-N 3.09Å
5F70.1Confident72.3Confident141 Ų141131.1 Ų131.162%0.61866%0.661SS**Hα-helixtrans-72.6-27.8-178.4-67.4-75.5000113A2 A9A2-F5 HydrophobicContact CB-CD2 4.19Å; A2-F5 PolarHBondContact O-N 3.48Å; F5-A9 WeakPolarHBondContact O-CB 3.48Å; F5-A9 PolarHBondContact O-N 3.24Å
6R71.9Confident73.3Confident169 Ų169133.9 Ų133.964%0.63867%0.671SS**Hα-helixtrans-70.1-37.2173.3-66.7-173.1-153.9163.26.6112.5A3 A4 K10A3-R6 PolarHBondContact O-N 3.36Å; A4-R6 PolarHBondContact O-N 3.27Å; R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.35Å
7K71.3Confident74.3Confident163 Ų163138.8 Ų138.871%0.70968%0.679SS**Hα-helixtrans-70.6-41176.3-71.1-177.8179.2-179.20111.2A3 A4 A9 K10 S11A3-K7 PolarHBondContact O-N 3.48Å; A4-K7 PolarHBondContact O-N 3.37Å; K7-A9 VanDerWaalsContact C-N 3.34Å; K7-A9 PolarHBondContact O-N 2.72Å; K7-K10 PolarHBondContact O-N 3.24Å; K7-S11 PolarHBondContact O-N 3.28Å; K7-S11 VanDerWaalsContact O-N 3.14Å
8A72.6Confident75.2Confident55 Ų55137.7 Ų137.746%0.45567%0.673SS.*Hα-helixtrans-64.8-33.2175.200000113.4A4 S11A4-A8 PolarHBondContact O-N 3.4Å; A4-A8 VanDerWaalsContact O-N 3.09Å; A8-S11 PolarHBondContact O-OG 3.04Å
9A71.6Confident76Confident63 Ų63142.1 Ų142.152%0.52168%0.681SS.*Hα-helixtrans-71.1-34.5172.600000112.7F5 K7 R12F5-A9 WeakPolarHBondContact O-CB 3.48Å; F5-A9 PolarHBondContact O-N 3.24Å; K7-A9 VanDerWaalsContact C-N 3.34Å; K7-A9 PolarHBondContact O-N 2.72Å; A9-R12 PolarHBondContact O-N 2.83Å
10K73.1Confident76.9Confident142 Ų142140.3 Ų140.362%0.61768%0.684SS**Hα-helixtrans-73-24178-75.1-178.5179.5-169.70113.7R6 K7 R12 Q13R6-K10 WeakPolarHBondContact O-CG 3.27Å; R6-K10 PolarHBondContact O-N 3.35Å; K7-K10 PolarHBondContact O-N 3.24Å; K10-R12 PolarHBondContact O-N 3.46Å; K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.11Å; K10-Q13 VanDerWaalsContact O-N 3.1Å
11S73.4Confident77.8Confident100 Ų100135.4 Ų135.470%0.69966%0.66SS**THydrogen-bonded Turntrans-66.2-20.8176.3680000113.2K7 A8K7-S11 PolarHBondContact O-N 3.28Å; K7-S11 VanDerWaalsContact O-N 3.14Å; A8-S11 PolarHBondContact O-OG 3.04Å
12R77.5Confident79.8Confident228 Ų228128.9 Ų128.986%0.8663%0.632SS**THydrogen-bonded Turntrans-89.1-5.8174.5-61.4-172.6179.9-160.2-0.2113.7A9 K10A9-R12 PolarHBondContact O-N 2.83Å; K10-R12 PolarHBondContact O-N 3.46Å
13Q83Confident81.4Confident143 Ų143129.2 Ų129.267%0.66864%0.641SS**SBendtrans-80.8134.3177.4-70.7-175.9-25.800110.6K10K10-Q13 WeakPolarHBondContact O-CB 3.42Å; K10-Q13 PolarHBondContact O-N 3.11Å; K10-Q13 VanDerWaalsContact O-N 3.1Å
14R82.3Confident82.7Confident222 Ų222133 Ų13384%0.83864%0.644SS**PPolyproline II helixtrans-72.4130.1176.8-171.2175.7-179.71771.8110.1H16R14-H16 PolarHBondContact O-N 3.01Å
15E85.9Confident83.9Confident150 Ų150136.2 Ų136.270%0.70164%0.642SS**PPolyproline II helixtrans-70.5125.5173-172.2-175.8-168.600110.5
16H88.1Confident85Confident176 Ų176137.3 Ų137.382%0.81565%0.646SS**  trans-86.4113.3173-66.9-79.2000110R14R14-H16 PolarHBondContact O-N 3.01Å
17R89.9Confident86.2Confident217 Ų217136.4 Ų136.482%0.81965%0.649SS**PPolyproline II helixtrans-85.3146177.4-63.9-176.1177-178.7-0.7111.6
18E90.4Very high87.3Confident119 Ų119134.2 Ų134.256%0.55665%0.645SS**PPolyproline II helixtrans-79.2143.4177.3-60.9-178.3-170.700110.8K35E18-K35 IonicContact OE1-NZ 3.84Å; E18-K35 PolarHBondContact OE1-NZ 3.08Å
19R91.5Very high88.3Confident220 Ų220133.4 Ų133.483%0.8364%0.642SS**PPolyproline II helixtrans-82.5143.8178.7-63.7-173.9-177.3-153.91.8111.9K33R19-K33 VanDerWaalsContact O-CE 3.26Å; R19-K33 WeakPolarHBondContact O-CE 3.44Å; R19-K33 PolarHBondContact O-NZ 3.25Å
20S93.4Very high89.3Confident107 Ų107137.3 Ų137.375%0.74865%0.653SS**PPolyproline II helixtrans-73.8168.9172.455.60000113.2
21Q95.1Very high90.4Very high38 Ų38133.6 Ų133.618%0.17864%0.64CS.*PPolyproline II helixtrans-65.8137.6171.4-177.373.8-60.200110.2R25 G29 L31Q21-R25 HydrophobicContact CG-CB 4.21Å; Q21-G29 PolarHBondContact NE2-O 3.03Å; Q21-L31 HydrophobicContact CB-CB 3.98Å; Q21-L31 HydrophobicContact CG-CB 4.44Å
22P95.9Very high91.3Very high54 Ų54133.4 Ų133.435%0.35163%0.628SS.*PPolyproline II helixtrans-58.4142.9174.8-24.635.8000112.4F24 R25 K26P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 HydrophobicContact CB-CD1 3.84Å; P22-F24 HydrophobicContact CB-CE1 3.38Å; P22-F24 HydrophobicContact CB-CZ 3.93Å; P22-F24 HydrophobicContact CG-CE1 4.33Å; P22-F24 PolarHBondContact O-N 3.42Å; P22-R25 CarbonylContact O-C 3.59Å; P22-R25 PolarHBondContact O-N 3.11Å; P22-K26 PolarHBondContact O-N 3.09Å
23G94.8Very high92.2Very high66 Ų66125.2 Ų125.268%0.6860%0.598SS**G310 helixtrans-54.1-42.2-172.500000114.2R25 K26G23-R25 VanDerWaalsContact C-N 3.27Å; G23-R25 PolarHBondContact O-N 3.49Å; G23-K26 VanDerWaalsContact O-CB 3.27Å; G23-K26 WeakPolarHBondContact O-CB 3.41Å; G23-K26 PolarHBondContact O-N 3.05Å
24F95.9Very high92.8Very high152 Ų152125 Ų12567%0.66760%0.595SS**G310 helixtrans-67.5-22.517964.1-86.5000114P22 H27P22-F24 VanDerWaalsContact C-N 3.3Å; P22-F24 HydrophobicContact CB-CD1 3.84Å; P22-F24 HydrophobicContact CB-CE1 3.38Å; P22-F24 HydrophobicContact CB-CZ 3.93Å; P22-F24 HydrophobicContact CG-CE1 4.33Å; P22-F24 PolarHBondContact O-N 3.42Å; F24-H27 PolarHBondContact O-CE1 3.49Å; F24-H27 PolarHBondContact O-ND1 2.73Å; F24-H27 VanDerWaalsContact O-ND1 3.11Å
25R95.4Very high93.4Very high135 Ų135120.8 Ų120.851%0.50958%0.583SS.*G310 helixtrans-102.39176.2-65.2-168.3178.3-178.61.1113.8Q21 P22 G23 H27 L28Q21-R25 HydrophobicContact CG-CB 4.21Å; P22-R25 CarbonylContact O-C 3.59Å; P22-R25 PolarHBondContact O-N 3.11Å; G23-R25 VanDerWaalsContact C-N 3.27Å; G23-R25 PolarHBondContact O-N 3.49Å; R25-H27 PolarHBondContact O-N 3.01Å; R25-H27 VanDerWaalsContact O-N 3.12Å; R25-L28 HydrophobicContact CB-CD1 4.31Å; R25-L28 HydrophobicContact CG-CD1 4.46Å; R25-L28 PolarHBondContact O-N 3.38Å
26K92.8Very high93.9Very high164 Ų164116.2 Ų116.271%0.71356%0.563SS**G310 helixtrans-58.8-26.7-179.8-167.4178.5179-175.30112.6P22 G23 L28 G29P22-K26 PolarHBondContact O-N 3.09Å; G23-K26 VanDerWaalsContact O-CB 3.27Å; G23-K26 WeakPolarHBondContact O-CB 3.41Å; G23-K26 PolarHBondContact O-N 3.05Å; K26-L28 PolarHBondContact O-N 3.26Å; K26-G29 PolarHBondContact O-N 3.19Å
27H95.9Very high94.3Very high150 Ų150113.2 Ų113.269%0.69455%0.545SS*.G310 helixtrans-63.6-22.417668.5-88.3000114.1F24 R25 G29F24-H27 PolarHBondContact O-CE1 3.49Å; F24-H27 PolarHBondContact O-ND1 2.73Å; F24-H27 VanDerWaalsContact O-ND1 3.11Å; R25-H27 PolarHBondContact O-N 3.01Å; R25-H27 VanDerWaalsContact O-N 3.12Å; H27-G29 PolarHBondContact O-N 3.04Å
28L94.3Very high94.7Very high118 Ų118108.6 Ų108.662%0.61853%0.531SS*.G310 helixtrans-82-0.8177.3-60.6175.6000113.2R25 K26R25-L28 HydrophobicContact CB-CD1 4.31Å; R25-L28 HydrophobicContact CG-CD1 4.46Å; R25-L28 PolarHBondContact O-N 3.38Å; K26-L28 PolarHBondContact O-N 3.26Å
29G94.1Very high95.1Very high38 Ų38108.8 Ų108.839%0.39254%0.535SS..  trans84.7-157.8-176.900000113.6Q21 K26 H27Q21-G29 PolarHBondContact NE2-O 3.03Å; K26-G29 PolarHBondContact O-N 3.19Å; H27-G29 PolarHBondContact O-N 3.04Å
30L93.4Very high95.3Very high145 Ų145104.4 Ų104.476%0.75952%0.519SS*.SBendtrans-67.1136.4-175-175.367.1000111.3E32L30-E32 PolarHBondContact O-N 3Å; L30-E32 VanDerWaalsContact O-N 3.13Å
31L94.8Very high95.6Very high64 Ų64100.9 Ų100.934%0.33550%0.496SS..  trans-75.1100.7173.3-177.554.1000110.1Q21 K33Q21-L31 HydrophobicContact CB-CB 3.98Å; Q21-L31 HydrophobicContact CG-CB 4.44Å; L31-K33 WeakPolarHBondContact O-CD 3.33Å; L31-K33 VanDerWaalsContact O-CE 3.31Å; L31-K33 WeakPolarHBondContact O-CE 3.26Å; L31-K33 PolarHBondContact O-N 3.19Å
32E93.9Very high95.7Very high96 Ų96102.4 Ų102.445%0.44951%0.505SS..  trans-51.5131.8177.9-68.8-170.3168.100111.7L30 D36 R40L30-E32 PolarHBondContact O-N 3Å; L30-E32 VanDerWaalsContact O-N 3.13Å; E32-D36 HydrophobicContact CB-CB 4.28Å; E32-D36 HydrophobicContact CG-CB 4.4Å; E32-R40 IonicContact OE1-CZ 2.76Å; E32-R40 IonicContact OE1-NE 2.85Å; E32-R40 PolarHBondContact OE1-NE 3.19Å; E32-R40 VanDerWaalsContact OE1-NE 3.08Å; E32-R40 IonicContact OE2-CZ 3.95Å; E32-R40 VanDerWaalsContact OE2-CZ 3.28Å; E32-R40 IonicContact OE2-NE 3.9Å; E32-R40 PolarHBondContact OE2-NE 3.39Å; E32-R40 IonicContact OE2-NH2 3.46Å; E32-R40 PolarHBondContact OE2-NH2 2.9Å
33K95.3Very high95.8Very high55 Ų55103.4 Ų103.424%0.23951%0.508CS..  trans-105.5177.9173.1-52.7-54.3-179.7-1790110.4R19 L31 K35 D36 Y37R19-K33 VanDerWaalsContact O-CE 3.26Å; R19-K33 WeakPolarHBondContact O-CE 3.44Å; R19-K33 PolarHBondContact O-NZ 3.25Å; L31-K33 WeakPolarHBondContact O-CD 3.33Å; L31-K33 VanDerWaalsContact O-CE 3.31Å; L31-K33 WeakPolarHBondContact O-CE 3.26Å; L31-K33 PolarHBondContact O-N 3.19Å; K33-K35 PolarHBondContact O-N 3.33Å; K33-K35 VanDerWaalsContact O-N 3.16Å; K33-D36 PolarHBondContact N-OD2 3.04Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-D36 VanDerWaalsContact O-N 3.09Å; K33-Y37 PolarHBondContact O-N 3.28Å
34K96Very high96Very high138 Ų138107.4 Ų107.460%0.650%0.504SS*.Hα-helixtrans-58.3-32.2-178.8-172.859.5174.6-175.30112.8Y37 K38K34-Y37 HydrophobicContact CD-CD1 4.24Å; K34-K38 WeakPolarHBondContact O-CG 3.28Å; K34-K38 PolarHBondContact O-N 3.03Å; K34-K38 VanDerWaalsContact O-N 3.12Å
35K95.7Very high96.1Very high135 Ų135107.1 Ų107.159%0.58750%0.498SS*.Hα-helixtrans-65.4-48.7176-66.4173.1-175.9155.80110.8E18 K33 K38 L39E18-K35 IonicContact OE1-NZ 3.84Å; E18-K35 PolarHBondContact OE1-NZ 3.08Å; K33-K35 PolarHBondContact O-N 3.33Å; K33-K35 VanDerWaalsContact O-N 3.16Å; K35-K38 WeakPolarHBondContact O-CB 3.36Å; K35-K38 PolarHBondContact O-N 3Å; K35-L39 PolarHBondContact O-N 3.26Å
36D96.6Very high96.2Very high54 Ų54107.4 Ų107.429%0.28950%0.503SS..Hα-helixtrans-65.2-42.9179.1-45.4-45.7000111.4E32 K33 K38 L39 R40E32-D36 HydrophobicContact CB-CB 4.28Å; E32-D36 HydrophobicContact CG-CB 4.4Å; K33-D36 PolarHBondContact N-OD2 3.04Å; K33-D36 PolarHBondContact O-N 2.9Å; K33-D36 VanDerWaalsContact O-N 3.09Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 3.41Å; D36-L39 PolarHBondContact O-N 3.32Å; D36-R40 PolarHBondContact O-N 2.62Å
37Y96.4Very high96.5Very high112 Ų112105 Ų10544%0.43949%0.492SS..Hα-helixtrans-56-43.4174.2171-91.5000112K33 K34 R40 A41K33-Y37 PolarHBondContact O-N 3.28Å; K34-Y37 HydrophobicContact CD-CD1 4.24Å; Y37-R40 PolarHBondContact O-N 3.01Å; Y37-A41 HydrophobicContact CE1-CB 4.25Å; Y37-A41 VanDerWaalsContact O-CB 3.27Å; Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.33Å
38K97.7Very high96.5Very high120 Ų120101 Ų10152%0.52247%0.474SS..Hα-helixtrans-61.9-47178.1-76.9177.7178.6-170.90110.8K34 K35 D36 R40 A41 D42K34-K38 WeakPolarHBondContact O-CG 3.28Å; K34-K38 PolarHBondContact O-N 3.03Å; K34-K38 VanDerWaalsContact O-N 3.12Å; K35-K38 WeakPolarHBondContact O-CB 3.36Å; K35-K38 PolarHBondContact O-N 3Å; D36-K38 VanDerWaalsContact C-N 3.29Å; D36-K38 PolarHBondContact O-N 3.41Å; K38-R40 VanDerWaalsContact C-N 3.33Å; K38-R40 PolarHBondContact O-N 3.2Å; K38-A41 PolarHBondContact O-N 3.4Å; K38-D42 WeakPolarHBondContact O-CB 3.34Å; K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.41Å
39L97.6Very high96.7Very high123 Ų123100.3 Ų100.364%0.64447%0.468SS*.Hα-helixtrans-59.2-44.2176.9-65.6175.2000111.9K35 D36 D42 D43K35-L39 PolarHBondContact O-N 3.26Å; D36-L39 PolarHBondContact O-N 3.32Å; L39-D42 PolarHBondContact O-N 3.01Å; L39-D43 WeakPolarHBondContact O-CB 3.49Å; L39-D43 PolarHBondContact O-N 2.95Å
40R97.6Very high96.9Very high129 Ų129105.8 Ų105.849%0.48748%0.478SS..Hα-helixtrans-64.9-43.2177.4-177.5165.461.485.2-3.9112.4E32 D36 Y37 K38 Y44E32-R40 IonicContact OE1-CZ 2.76Å; E32-R40 IonicContact OE1-NE 2.85Å; E32-R40 PolarHBondContact OE1-NE 3.19Å; E32-R40 VanDerWaalsContact OE1-NE 3.08Å; E32-R40 IonicContact OE2-CZ 3.95Å; E32-R40 VanDerWaalsContact OE2-CZ 3.28Å; E32-R40 IonicContact OE2-NE 3.9Å; E32-R40 PolarHBondContact OE2-NE 3.39Å; E32-R40 IonicContact OE2-NH2 3.46Å; E32-R40 PolarHBondContact OE2-NH2 2.9Å; D36-R40 PolarHBondContact O-N 2.62Å; Y37-R40 PolarHBondContact O-N 3.01Å; K38-R40 VanDerWaalsContact C-N 3.33Å; K38-R40 PolarHBondContact O-N 3.2Å; R40-Y44 WeakPolarHBondContact O-CB 3.49Å; R40-Y44 PolarHBondContact O-N 3.24Å
41A97.8Very high97.1Very high32 Ų32102.5 Ų102.526%0.26446%0.461SS..Hα-helixtrans-66.3-41.9178.300000111.7Y37 K38 Y44 R45Y37-A41 HydrophobicContact CE1-CB 4.25Å; Y37-A41 VanDerWaalsContact O-CB 3.27Å; Y37-A41 WeakPolarHBondContact O-CB 3.37Å; Y37-A41 PolarHBondContact O-N 3.33Å; K38-A41 PolarHBondContact O-N 3.4Å; A41-Y44 PolarHBondContact O-N 3.42Å; A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.22Å
42D97.9Very high97.3Very high70 Ų70108.2 Ų108.237%0.37448%0.477SS..Hα-helixtrans-66-42.6177.4-71.6-27.1000111.6K38 L39 R45 K46K38-D42 WeakPolarHBondContact O-CB 3.34Å; K38-D42 VanDerWaalsContact O-CG 3.25Å; K38-D42 PolarHBondContact O-N 3.41Å; L39-D42 PolarHBondContact O-N 3.01Å; D42-R45 PolarHBondContact O-N 3.48Å; D42-R45 IonicContact OD1-NH2 4Å; D42-K46 WeakPolarHBondContact O-CB 3.47Å; D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.26Å; D42-K46 PolarHBondContact O-N 3.4Å
43D98.3Very high97.5Very high76 Ų76105.9 Ų105.941%0.40648%0.475SS..Hα-helixtrans-61.7-46.3173.8177.962.4000111.8L39 R45 K46 K47L39-D43 WeakPolarHBondContact O-CB 3.49Å; L39-D43 PolarHBondContact O-N 2.95Å; D43-R45 VanDerWaalsContact C-N 3.35Å; D43-R45 PolarHBondContact O-N 2.79Å; D43-K46 PolarHBondContact O-N 2.87Å; D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 2.91Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 3Å; D43-K47 VanDerWaalsContact OD2-CE 3.24Å; D43-K47 WeakPolarHBondContact OD2-CE 3.48Å; D43-K47 IonicContact OD2-NZ 3.9Å; D43-K47 PolarHBondContact OD2-NZ 2.68Å
44Y98.1Very high97.6Very high150 Ų150106.7 Ų106.759%0.58848%0.481SS*.Hα-helixtrans-59.6-45.7176.2-179.5-101.1000111.5R40 A41 K46 K47 Q48R40-Y44 WeakPolarHBondContact O-CB 3.49Å; R40-Y44 PolarHBondContact O-N 3.24Å; A41-Y44 PolarHBondContact O-N 3.42Å; Y44-K46 PolarHBondContact O-N 3.1Å; Y44-K47 PolarHBondContact O-N 3.1Å; Y44-Q48 HydrophobicContact CD1-CG 4.03Å; Y44-Q48 HydrophobicContact CD2-CG 4.47Å; Y44-Q48 HydrophobicContact CE1-CG 3.61Å; Y44-Q48 HydrophobicContact CE2-CG 4.09Å; Y44-Q48 HydrophobicContact CG-CG 4.45Å; Y44-Q48 WeakPolarHBondContact O-CG 3.42Å; Y44-Q48 PolarHBondContact O-N 3.28Å; Y44-Q48 PolarHBondContact OH-NE2 3.04Å
45R97.9Very high97.6Very high146 Ų146108.2 Ų108.255%0.55148%0.483SS*.Hα-helixtrans-61.4-45.5178.1-170.1178.568.5-170.3-4.9111.4A41 D42 D43 K47 Q48 E49A41-R45 WeakPolarHBondContact O-CB 3.49Å; A41-R45 PolarHBondContact O-N 3.22Å; D42-R45 PolarHBondContact O-N 3.48Å; D42-R45 IonicContact OD1-NH2 4Å; D43-R45 VanDerWaalsContact C-N 3.35Å; D43-R45 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.21Å; R45-Q48 PolarHBondContact O-N 3.01Å; R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact NE-OE1 3.28Å; R45-E49 WeakPolarHBondContact O-CB 3.45Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 2.93Å
46K98.2Very high97.7Very high141 Ų141107.6 Ų107.661%0.61348%0.48SS*.Hα-helixtrans-57.5-44.9175.7-75.2173.7-179.3-179.60112D42 D43 Y44 E49 Y50D42-K46 WeakPolarHBondContact O-CB 3.47Å; D42-K46 VanDerWaalsContact O-CG 3.29Å; D42-K46 WeakPolarHBondContact O-CG 3.26Å; D42-K46 PolarHBondContact O-N 3.4Å; D43-K46 PolarHBondContact O-N 2.87Å; Y44-K46 PolarHBondContact O-N 3.1Å; K46-E49 PolarHBondContact O-N 3.48Å; K46-Y50 WeakPolarHBondContact O-CB 3.46Å; K46-Y50 PolarHBondContact O-N 3.32Å
47K98.3Very high97.7Very high113 Ų113112.2 Ų112.249%0.49150%0.498SS..Hα-helixtrans-63.7-42.1176.9-73.6170.8178166.20111.9D43 Y44 R45 Y50 L51D43-K47 WeakPolarHBondContact O-CG 3.43Å; D43-K47 PolarHBondContact O-N 2.91Å; D43-K47 WeakPolarHBondContact OD1-CE 3.43Å; D43-K47 IonicContact OD1-NZ 3Å; D43-K47 VanDerWaalsContact OD2-CE 3.24Å; D43-K47 WeakPolarHBondContact OD2-CE 3.48Å; D43-K47 IonicContact OD2-NZ 3.9Å; D43-K47 PolarHBondContact OD2-NZ 2.68Å; Y44-K47 PolarHBondContact O-N 3.1Å; R45-K47 VanDerWaalsContact C-N 3.33Å; R45-K47 PolarHBondContact O-N 3.21Å; K47-Y50 PolarHBondContact O-N 3.39Å; K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.32Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 3.1Å
48Q97.9Very high97.6Very high67 Ų67110.4 Ų110.431%0.31351%0.506SS..Hα-helixtrans-66.2-42.5177.6-71.7-58.9-33.300112.4Y44 R45 Y50 L51 R52Y44-Q48 HydrophobicContact CD1-CG 4.03Å; Y44-Q48 HydrophobicContact CD2-CG 4.47Å; Y44-Q48 HydrophobicContact CE1-CG 3.61Å; Y44-Q48 HydrophobicContact CE2-CG 4.09Å; Y44-Q48 HydrophobicContact CG-CG 4.45Å; Y44-Q48 WeakPolarHBondContact O-CG 3.42Å; Y44-Q48 PolarHBondContact O-N 3.28Å; Y44-Q48 PolarHBondContact OH-NE2 3.04Å; R45-Q48 PolarHBondContact O-N 3.01Å; Q48-Y50 VanDerWaalsContact C-N 3.35Å; Q48-L51 PolarHBondContact O-N 3.47Å; Q48-R52 WeakPolarHBondContact O-CB 3.48Å; Q48-R52 PolarHBondContact O-N 3.45Å
49E98Very high97.6Very high102 Ų102112 Ų11248%0.47752%0.52SS..Hα-helixtrans-60.9-44.6174.3-74.5171-175.400111.1R45 K46 R52 A53R45-E49 HydrophobicContact CG-CG 4.42Å; R45-E49 WeakPolarHBondContact CG-OE1 3.43Å; R45-E49 IonicContact NE-OE1 3.28Å; R45-E49 WeakPolarHBondContact O-CB 3.45Å; R45-E49 WeakPolarHBondContact O-CG 3.44Å; R45-E49 PolarHBondContact O-N 2.93Å; K46-E49 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 3.09Å; E49-A53 PolarHBondContact O-N 3Å
50Y97.9Very high97.5Very high154 Ų154112.6 Ų112.660%0.60452%0.519SS*.Hα-helixtrans-62.4-46.4176.1-177.4-105.4000112.5K46 K47 Q48 R52 A53 L54K46-Y50 WeakPolarHBondContact O-CB 3.46Å; K46-Y50 PolarHBondContact O-N 3.32Å; K47-Y50 PolarHBondContact O-N 3.39Å; Q48-Y50 VanDerWaalsContact C-N 3.35Å; Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.98Å; Y50-A53 PolarHBondContact O-N 3.17Å; Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.35Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 3.97Å; Y50-L54 PolarHBondContact O-N 3.2Å
51L97.9Very high97.3Very high76 Ų76112.5 Ų112.540%0.39852%0.522SS..Hα-helixtrans-62.3-38.7176-74174.3000112K47 Q48 L54 R55K47-L51 WeakPolarHBondContact O-CB 3.31Å; K47-L51 VanDerWaalsContact O-CG 3.32Å; K47-L51 WeakPolarHBondContact O-CG 3.24Å; K47-L51 PolarHBondContact O-N 3.1Å; Q48-L51 PolarHBondContact O-N 3.47Å; L51-L54 PolarHBondContact O-N 3.39Å; L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.44Å; L51-R55 PolarHBondContact O-N 2.91Å
52R97.9Very high97.2Very high183 Ų183115.1 Ų115.169%0.69153%0.532SS*.Hα-helixtrans-62.8-43.4175-171.6-176.3-64.4172-1.4111.1Q48 E49 Y50 R55 K56Q48-R52 WeakPolarHBondContact O-CB 3.48Å; Q48-R52 PolarHBondContact O-N 3.45Å; E49-R52 PolarHBondContact O-N 3.09Å; Y50-R52 VanDerWaalsContact C-N 3.31Å; Y50-R52 PolarHBondContact O-N 2.98Å; R52-R55 PolarHBondContact O-N 3.34Å; R52-K56 WeakPolarHBondContact O-CB 3.11Å; R52-K56 PolarHBondContact O-N 2.99Å
53A98.1Very high97Very high47 Ų47117.2 Ų117.239%0.38855%0.549SS..Hα-helixtrans-63.4-42.2175.500000112.2E49 Y50 K56 K57E49-A53 PolarHBondContact O-N 3Å; Y50-A53 PolarHBondContact O-N 3.17Å; A53-K56 PolarHBondContact O-N 3.45Å; A53-K57 WeakPolarHBondContact O-CG 3.42Å; A53-K57 PolarHBondContact O-N 3.34Å
54L97.5Very high96.9Very high72 Ų72120.3 Ų120.338%0.37757%0.566SS.*Hα-helixtrans-63.4-42.6174.9-73.2-178.8000112.5Y50 L51 K57 A58Y50-L54 HydrophobicContact CD1-CD1 3.88Å; Y50-L54 HydrophobicContact CD1-CG 4.35Å; Y50-L54 HydrophobicContact CE1-CD1 3.34Å; Y50-L54 HydrophobicContact CE1-CG 3.97Å; Y50-L54 PolarHBondContact O-N 3.2Å; L51-L54 PolarHBondContact O-N 3.39Å; L54-K57 PolarHBondContact O-N 2.8Å; L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 2.88Å
55R97.4Very high96.6Very high171 Ų171116 Ų11665%0.64555%0.551SS**Hα-helixtrans-61.2-44.2175.2-74.7174.6-177.7174.41.1111.6L51 R52 A58 L59L51-R55 WeakPolarHBondContact O-CB 3.37Å; L51-R55 VanDerWaalsContact O-CG 3.31Å; L51-R55 WeakPolarHBondContact O-CG 3.44Å; L51-R55 PolarHBondContact O-N 2.91Å; R52-R55 PolarHBondContact O-N 3.34Å; R55-A58 PolarHBondContact O-N 3.4Å; R55-L59 WeakPolarHBondContact O-CG 3.32Å; R55-L59 PolarHBondContact O-N 3.32Å
56K97.7Very high96.4Very high121 Ų121115.4 Ų115.453%0.52655%0.553SS.*Hα-helixtrans-58.9-48.3175.4-174.8176.9176.7-179.60111.2R52 A53 A58 L59 E60R52-K56 WeakPolarHBondContact O-CB 3.11Å; R52-K56 PolarHBondContact O-N 2.99Å; A53-K56 PolarHBondContact O-N 3.45Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.41Å; K56-L59 PolarHBondContact O-N 3.05Å; K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 WeakPolarHBondContact CE-OE2 3.41Å; K56-E60 HydrophobicContact CG-CG 4.39Å; K56-E60 IonicContact NZ-OE1 3.68Å; K56-E60 WeakPolarHBondContact O-CB 2.8Å; K56-E60 WeakPolarHBondContact O-CG 3.22Å; K56-E60 PolarHBondContact O-N 3.19Å
57K96.2Very high96.1Very high152 Ų152115.6 Ų115.666%0.66155%0.551SS**Hα-helixtrans-59.6-37.8175.4-72.3-178.9178.2-169.50113.4A53 L54 K61A53-K57 WeakPolarHBondContact O-CG 3.42Å; A53-K57 PolarHBondContact O-N 3.34Å; L54-K57 PolarHBondContact O-N 2.8Å; K57-K61 PolarHBondContact O-N 3.42Å
58A94.9Very high95.8Very high74 Ų74119.6 Ų119.661%0.61256%0.564SS**Hα-helixtrans-69.2-36.6177.200000112.3L54 R55 K56 K61L54-A58 WeakPolarHBondContact O-CB 3.22Å; L54-A58 PolarHBondContact O-N 2.88Å; R55-A58 PolarHBondContact O-N 3.4Å; K56-A58 VanDerWaalsContact C-N 3.3Å; K56-A58 PolarHBondContact O-N 3.41Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å
59L96.1Very high95.3Very high153 Ų153124.4 Ų124.480%0.80158%0.584SS**Hα-helixtrans-71.5-38.8176.1-71.8170.8000112.5R55 K56 K61R55-L59 WeakPolarHBondContact O-CG 3.32Å; R55-L59 PolarHBondContact O-N 3.32Å; K56-L59 PolarHBondContact O-N 3.05Å; L59-K61 PolarHBondContact O-N 3.23Å
60E96Very high94.8Very high135 Ų135123.3 Ų123.363%0.63158%0.58SS**THydrogen-bonded Turntrans-84.29.3180-66.1175166.300113.1K56 N62K56-E60 WeakPolarHBondContact CE-OE1 3.47Å; K56-E60 WeakPolarHBondContact CE-OE2 3.41Å; K56-E60 HydrophobicContact CG-CG 4.39Å; K56-E60 IonicContact NZ-OE1 3.68Å; K56-E60 WeakPolarHBondContact O-CB 2.8Å; K56-E60 WeakPolarHBondContact O-CG 3.22Å; K56-E60 PolarHBondContact O-N 3.19Å; E60-N62 PolarHBondContact O-N 3.02Å
61K94.4Very high94.3Very high127 Ų127120.8 Ų120.855%0.55258%0.58SS**  trans-70.1128.2-176.9-173-175.5-178-169.40111.2K57 A58 L59 E65K57-K61 PolarHBondContact O-N 3.42Å; A58-K61 WeakPolarHBondContact O-CB 3.32Å; L59-K61 PolarHBondContact O-N 3.23Å; K61-E65 WeakPolarHBondContact CE-OE1 3.41Å; K61-E65 IonicContact NZ-OE1 3.82Å
62N95.8Very high93.7Very high87 Ų87127.2 Ų127.247%0.46560%0.599SS.*  trans-77.3121.5171.5-178.92.9000110E60 D64 E65E60-N62 PolarHBondContact O-N 3.02Å; N62-D64 PolarHBondContact O-N 3.44Å; N62-D64 PolarHBondContact OD1-N 2.91Å; N62-E65 HydrophobicContact CB-CB 4.37Å; N62-E65 WeakPolarHBondContact O-CG 3.42Å; N62-E65 PolarHBondContact O-N 3.45Å
63P93.3Very high93.2Very high115 Ų115121 Ų12175%0.74758%0.581SS**THydrogen-bonded Turntrans-63.4-25.4178.426.3-35.5000113.7
64D94.8Very high92.6Very high140 Ų140125.1 Ų125.175%0.74959%0.591SS**THydrogen-bonded Turntrans-94.711.3-177.2-58.9-35.6000113.1N62 F66N62-D64 PolarHBondContact O-N 3.44Å; N62-D64 PolarHBondContact OD1-N 2.91Å; D64-F66 PolarHBondContact O-N 3.39Å
65E92.9Very high92.2Very high61 Ų61126.8 Ų126.829%0.28560%0.6SS.*  trans-65.2130.6178.773.4-178.3-171.700111.7K61 N62 Y67 M70K61-E65 WeakPolarHBondContact CE-OE1 3.41Å; K61-E65 IonicContact NZ-OE1 3.82Å; N62-E65 HydrophobicContact CB-CB 4.37Å; N62-E65 WeakPolarHBondContact O-CG 3.42Å; N62-E65 PolarHBondContact O-N 3.45Å; E65-Y67 HydrophobicContact CG-CE2 4.43Å; E65-M70 HydrophobicContact CG-CE 3.96Å; E65-M70 WeakPolarHBondContact O-CE 3.45Å
66F93.9Very high91.8Very high132 Ų132124.1 Ų124.158%0.57959%0.594SS**  trans-124.3120.9175.1179.5-101.7000111.4D64 Y68 M70 T71D64-F66 PolarHBondContact O-N 3.39Å; F66-Y68 AromaticContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CE1 4.2Å; F66-M70 HydrophobicContact CD2-SD 4.38Å; F66-T71 HydrophobicContact CE2-CG2 4.39Å; F66-T71 HydrophobicContact CZ-CG2 4.06Å
67Y92.5Very high91.3Very high146 Ų146125.7 Ų125.757%0.57361%0.609SS**  trans-112.9136.2169-65.5-74.6000109.6E65 K69 M70E65-Y67 HydrophobicContact CG-CE2 4.43Å; Y67-K69 PolarHBondContact O-N 3.44Å; Y67-M70 HydrophobicContact CD2-CE 3.63Å; Y67-M70 HydrophobicContact CE2-CE 4.48Å; Y67-M70 HydrophobicContact CG-CE 4.45Å; Y67-M70 WeakPolarHBondContact O-CB 3.33Å; Y67-M70 VanDerWaalsContact O-CG 3.29Å; Y67-M70 WeakPolarHBondContact O-CG 3.38Å; Y67-M70 PolarHBondContact O-N 3.22Å
68Y91.5Very high90.8Very high197 Ų197121.4 Ų121.477%0.77361%0.607SS**G310 helixtrans-53-29.2179.4-68.1-72.9000114.2F66 M70 T71F66-Y68 AromaticContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CD1 3.99Å; F66-Y68 HydrophobicContact CE1-CE1 4.2Å; Y68-M70 PolarHBondContact O-N 2.88Å; Y68-T71 PolarHBondContact O-N 3.4Å; Y68-T71 PolarHBondContact O-OG1 3.28Å
69K87.9Confident90.5Very high168 Ų168122.7 Ų122.773%0.7361%0.607SS**G310 helixtrans-64.7-23.5176.3-70.3-175178.1179.10113.6Y67 T71 R72 V73Y67-K69 PolarHBondContact O-N 3.44Å; K69-T71 PolarHBondContact O-N 2.86Å; K69-R72 PolarHBondContact O-N 3.19Å; K69-V73 PolarHBondContact O-N 2.95Å
70M86.9Confident90.2Very high78 Ų78121.5 Ų121.538%0.38460%0.597SS.*G310 helixtrans-62-22176.3-62.8-178.3178.100112.6E65 F66 Y67 Y68 R72E65-M70 HydrophobicContact CG-CE 3.96Å; E65-M70 WeakPolarHBondContact O-CE 3.45Å; F66-M70 HydrophobicContact CD2-SD 4.38Å; Y67-M70 HydrophobicContact CD2-CE 3.63Å; Y67-M70 HydrophobicContact CE2-CE 4.48Å; Y67-M70 HydrophobicContact CG-CE 4.45Å; Y67-M70 WeakPolarHBondContact O-CB 3.33Å; Y67-M70 VanDerWaalsContact O-CG 3.29Å; Y67-M70 WeakPolarHBondContact O-CG 3.38Å; Y67-M70 PolarHBondContact O-N 3.22Å; Y68-M70 PolarHBondContact O-N 2.88Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.01Å
71T87.9Confident89.7Confident101 Ų101118.3 Ų118.362%0.6258%0.584SS**G310 helixtrans-69.7-28.1174.661.50000113.1F66 Y68 K69F66-T71 HydrophobicContact CE2-CG2 4.39Å; F66-T71 HydrophobicContact CZ-CG2 4.06Å; Y68-T71 PolarHBondContact O-N 3.4Å; Y68-T71 PolarHBondContact O-OG1 3.28Å; K69-T71 PolarHBondContact O-N 2.86Å
72R84.6Confident89Confident211 Ų211119.3 Ų119.380%0.79659%0.594SS**THydrogen-bonded Turntrans-100.8-37.4-175.9-61.5-176.5-176.9-176.30.3112.5K69 M70K69-R72 PolarHBondContact O-N 3.19Å; M70-R72 VanDerWaalsContact C-N 3.31Å; M70-R72 PolarHBondContact O-N 3.01Å
73V86.2Confident88Confident52 Ų52121.5 Ų121.532%0.31560%0.599SS.*PPolyproline II helixtrans-88.3128.3-177.1-176.40000109.5K69 H80K69-V73 PolarHBondContact O-N 2.95Å; V73-H80 HydrophobicContact CG1-CB 4.02Å; V73-H80 WeakPolarHBondContact CG1-ND1 3.49Å
74K85.9Confident87.1Confident135 Ų135124.2 Ų124.259%0.58760%0.602SS**EExtended strand (participates in β ladder)trans-99.5141.9175.5-64.3-169175.1-1660110.2I81K74-I81 PolarHBondContact O-N 3.41Å
75L89.3Confident86.1Confident107 Ų107124.2 Ų124.256%0.5661%0.607SS**EExtended strand (participates in β ladder)trans-92.8129.2167.7-159.276.3000107.8
76Q88.7Confident85.2Confident115 Ų115130 Ų13054%0.53763%0.631SS.*EExtended strand (participates in β ladder)trans-126.2125170.2-174.3172.4-1100107.2G78 V79 I81Q76-G78 PolarHBondContact O-N 3.38Å; Q76-G78 VanDerWaalsContact O-N 3.09Å; Q76-V79 PolarHBondContact N-O 3.11Å; Q76-V79 PolarHBondContact O-N 2.81Å; Q76-I81 HydrophobicContact CB-CD1 3.41Å; Q76-I81 VanDerWaalsContact CB-CD1 3.41Å; Q76-I81 HydrophobicContact CB-CG1 4.07Å; Q76-I81 HydrophobicContact CG-CD1 4.15Å
77D88.7Confident84.3Confident154 Ų154132.1 Ų132.182%0.82464%0.643SS**THydrogen-bonded Turntrans51.434.9-178.9-51.3-41.2000113.9V79D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.09Å
78G84.7Confident83.7Confident61 Ų61134.3 Ų134.363%0.62966%0.658SS**THydrogen-bonded Turntrans82.62.2179.900000115.6Q76Q76-G78 PolarHBondContact O-N 3.38Å; Q76-G78 VanDerWaalsContact O-N 3.09Å
79V89.1Confident83.4Confident101 Ų101127.3 Ų127.361%0.61264%0.636SS**EExtended strand (participates in β ladder)trans-115.3137.2178.8-175.60000111Q76 D77 I81Q76-V79 PolarHBondContact N-O 3.11Å; Q76-V79 PolarHBondContact O-N 2.81Å; D77-V79 VanDerWaalsContact C-N 3.34Å; D77-V79 PolarHBondContact O-N 3.09Å; V79-I81 PolarHBondContact O-N 3.05Å
80H88.3Confident83.6Confident128 Ų128122.3 Ų122.359%0.59362%0.62SS**EExtended strand (participates in β ladder)trans-71.2121.8176.1-76-67.3000111.1V73V73-H80 HydrophobicContact CG1-CB 4.02Å; V73-H80 WeakPolarHBondContact CG1-ND1 3.49Å
81I85.9Confident83.6Confident68 Ų68123.1 Ų123.135%0.34963%0.631SS.*EExtended strand (participates in β ladder)trans-90.9108.9169.8-60.1179.6000108.1K74 Q76 V79 K83K74-I81 PolarHBondContact O-N 3.41Å; Q76-I81 HydrophobicContact CB-CD1 3.41Å; Q76-I81 VanDerWaalsContact CB-CD1 3.41Å; Q76-I81 HydrophobicContact CB-CG1 4.07Å; Q76-I81 HydrophobicContact CG-CD1 4.15Å; V79-I81 PolarHBondContact O-N 3.05Å; I81-K83 PolarHBondContact O-N 2.75Å
82I79.9Confident83.7Confident148 Ų148126 Ų12676%0.75964%0.637SS**  trans-74.8105.4166.5-56.6172.9000106.2E84I82-E84 PolarHBondContact O-N 2.95Å
83K74.3Confident84Confident134 Ų134120.6 Ų120.658%0.58362%0.621SS**  trans-66.1121.9170.7-69.6-177177.9-177.90108I81 T85I81-K83 PolarHBondContact O-N 2.75Å; K83-T85 PolarHBondContact O-N 3.46Å
84E75.9Confident84.3Confident171 Ų171121 Ų12180%0.79962%0.621SS**  trans-58.1127.9165.1-66.9179.4170.600108.2I82 K86I82-E84 PolarHBondContact O-N 2.95Å; E84-K86 PolarHBondContact O-N 3.4Å
85T73.4Confident84.6Confident140 Ų140118.2 Ų118.286%0.85961%0.609SS**  trans-62.4100.117030.30000107.8K83 E87K83-T85 PolarHBondContact O-N 3.46Å; T85-E87 PolarHBondContact O-N 3.47Å
86K73.1Confident84.8Confident184 Ų184118.2 Ų118.280%0.861%0.609SS**  trans-71.2126.9167.7-65.5-175.2-179.1-1790107.1E84 E88E84-K86 PolarHBondContact O-N 3.4Å; K86-E88 PolarHBondContact O-N 3.5Å
87E75.6Confident85.1Confident176 Ų176117.4 Ų117.482%0.82261%0.606SS**  trans-57.9120.9170.1-67.4178.5174.400108.5T85 V89T85-E87 PolarHBondContact O-N 3.47Å; E87-V89 HydrophobicContact CB-CG2 4.37Å; E87-V89 PolarHBondContact O-N 3.2Å
88E80.1Confident85.3Confident191 Ų191113.4 Ų113.489%0.89358%0.58SS**  trans-76.992.5177.5-66.4-175.3174.700108.4K86K86-E88 PolarHBondContact O-N 3.5Å
89V85.6Confident85.9Confident51 Ų51112 Ų11231%0.30956%0.559SS.*  trans-89.5126.1178.7-166.60000109.5E87 Q93 L94 M97E87-V89 HydrophobicContact CB-CG2 4.37Å; E87-V89 PolarHBondContact O-N 3.2Å; V89-Q93 HydrophobicContact CG1-CB 3.43Å; V89-Q93 VanDerWaalsContact CG1-CB 3.43Å; V89-L94 HydrophobicContact CB-CD2 4.03Å; V89-L94 HydrophobicContact CB-CG 3.99Å; V89-L94 HydrophobicContact CG1-CD2 3.81Å; V89-L94 HydrophobicContact CG1-CG 3.65Å; V89-M97 HydrophobicContact CG1-SD 4.18Å
90T90.6Very high86.2Confident62 Ų62112.6 Ų112.638%0.3856%0.555SS.*  trans-66.7154.3176.171.30000110.7E92 Q93 L94T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 VanDerWaalsContact O-N 3.14Å; T90-Q93 PolarHBondContact O-N 2.95Å; T90-Q93 VanDerWaalsContact OG1-CG 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.47Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-Q93 PolarHBondContact OG1-OE1 3.47Å; T90-L94 PolarHBondContact O-N 3.35Å
91P88.8Confident86.6Confident96 Ų96110.3 Ų110.362%0.62355%0.547SS*.Hα-helixtrans-55.6-31.6175.5-26.335.1000113.3K95 M226P91-K95 PolarHBondContact O-N 2.83Å; P91-K95 VanDerWaalsContact O-N 3.09Å; P91-M226 WeakPolarHBondContact O-CE 3.29Å
92E89.2Confident87.1Confident160 Ų160107.3 Ų107.375%0.74853%0.532SS*.Hα-helixtrans-72.1-44.6178.1-64.4-176.9172.200112T90 L94 K95 L96T90-E92 PolarHBondContact O-N 3.33Å; T90-E92 VanDerWaalsContact O-N 3.14Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.32Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.5Å; E92-K95 VanDerWaalsContact O-N 3.11Å; E92-L96 PolarHBondContact O-N 3.25Å
93Q91.8Very high87.9Confident98 Ų98106.8 Ų106.846%0.45852%0.524SS..Hα-helixtrans-59.4-44.3173.6-73.5168.2-20.300111V89 T90 K95 L96 M97V89-Q93 HydrophobicContact CG1-CB 3.43Å; V89-Q93 VanDerWaalsContact CG1-CB 3.43Å; T90-Q93 PolarHBondContact O-N 2.95Å; T90-Q93 VanDerWaalsContact OG1-CG 3.27Å; T90-Q93 WeakPolarHBondContact OG1-CG 3.47Å; T90-Q93 PolarHBondContact OG1-N 2.98Å; T90-Q93 PolarHBondContact OG1-OE1 3.47Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 2.89Å; Q93-L96 WeakPolarHBondContact O-CB 3.25Å; Q93-L96 PolarHBondContact O-N 3.42Å; Q93-L96 VanDerWaalsContact O-N 3.16Å; Q93-M97 VanDerWaalsContact O-CG 3.32Å; Q93-M97 WeakPolarHBondContact O-CG 3.24Å; Q93-M97 PolarHBondContact O-N 2.96Å
94L91.4Very high89Confident61 Ų61106.9 Ų106.932%0.31952%0.522SS..Hα-helixtrans-59.3-38.4174.5-75.1174.5000112.4V89 T90 E92 R98 M226V89-L94 HydrophobicContact CB-CD2 4.03Å; V89-L94 HydrophobicContact CB-CG 3.99Å; V89-L94 HydrophobicContact CG1-CD2 3.81Å; V89-L94 HydrophobicContact CG1-CG 3.65Å; T90-L94 PolarHBondContact O-N 3.35Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 3.32Å; L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.9Å; L94-M226 HydrophobicContact CB-CE 3.65Å
95K91.8Very high90.1Very high77 Ų7799.8 Ų99.834%0.33549%0.489SS..Hα-helixtrans-69-37.7177.5-170.8170-180170.20111.4P91 E92 Q93 T99 K223 M226 D227P91-K95 PolarHBondContact O-N 2.83Å; P91-K95 VanDerWaalsContact O-N 3.09Å; E92-K95 WeakPolarHBondContact O-CB 3.31Å; E92-K95 PolarHBondContact O-N 3.5Å; E92-K95 VanDerWaalsContact O-N 3.11Å; Q93-K95 VanDerWaalsContact C-N 3.29Å; Q93-K95 PolarHBondContact O-N 2.89Å; K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.31Å; K95-K223 HydrophobicContact CG-CG 4.49Å; K95-M226 HydrophobicContact CB-CE 3.98Å; K95-M226 HydrophobicContact CB-SD 4.03Å; K95-M226 HydrophobicContact CG-SD 4.48Å; K95-D227 IonicContact NZ-OD1 3.69Å; K95-D227 PolarHBondContact NZ-OD1 2.91Å
96L94.4Very high91.2Very high106 Ų10696.9 Ų96.956%0.55547%0.466SS*.Hα-helixtrans-64.8-50.2174.1-178.563000111.2E92 Q93 R98 T99 Q100E92-L96 PolarHBondContact O-N 3.25Å; Q93-L96 WeakPolarHBondContact O-CB 3.25Å; Q93-L96 PolarHBondContact O-N 3.42Å; Q93-L96 VanDerWaalsContact O-N 3.16Å; L96-R98 PolarHBondContact O-N 3.27Å; L96-T99 WeakPolarHBondContact O-CA 3.44Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.03Å; L96-Q100 PolarHBondContact O-N 3.39Å
97M93.8Very high92.3Very high98 Ų9893 Ų9348%0.48345%0.451SS..Hα-helixtrans-55.9-50.3177-68.3175.279.900111.3V89 Q93 T99 Q100 D101V89-M97 HydrophobicContact CG1-SD 4.18Å; Q93-M97 VanDerWaalsContact O-CG 3.32Å; Q93-M97 WeakPolarHBondContact O-CG 3.24Å; Q93-M97 PolarHBondContact O-N 2.96Å; M97-T99 PolarHBondContact O-N 2.92Å; M97-Q100 WeakPolarHBondContact O-CB 3.4Å; M97-Q100 PolarHBondContact O-N 3.44Å; M97-D101 PolarHBondContact O-N 3.11Å
98R94.6Very high93.4Very high71 Ų7188.5 Ų88.527%0.26843%0.429SS..Hα-helixtrans-60.5-33.7176.5-72.3175.4-174.2176.84.8112.8L94 L96 D101 V102 I219 R222 K223 M226L94-R98 WeakPolarHBondContact O-CB 3.42Å; L94-R98 VanDerWaalsContact O-CG 3.29Å; L94-R98 WeakPolarHBondContact O-CG 3.49Å; L94-R98 PolarHBondContact O-N 2.9Å; L96-R98 PolarHBondContact O-N 3.27Å; R98-D101 PolarHBondContact O-N 3.12Å; R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.38Å; R98-V102 PolarHBondContact O-N 3.22Å; R98-I219 HydrophobicContact CB-CG2 4.24Å; R98-I219 HydrophobicContact CG-CG2 4.42Å; R98-R222 PolarHBondContact NH1-O 3.33Å; R98-K223 HydrophobicContact CB-CB 4.39Å; R98-M226 PolarHBondContact NH1-SD 3.48Å
99T95.6Very high94.2Very high30 Ų3082.5 Ų82.518%0.18440%0.399CS..Hα-helixtrans-68.2-38.9176.4-61.50000111.5K95 L96 M97 K103 K223K95-T99 WeakPolarHBondContact O-CB 3.34Å; K95-T99 PolarHBondContact O-N 3.38Å; K95-T99 PolarHBondContact O-OG1 3.31Å; L96-T99 WeakPolarHBondContact O-CA 3.44Å; L96-T99 WeakPolarHBondContact O-CB 3.39Å; L96-T99 PolarHBondContact O-N 3.03Å; M97-T99 PolarHBondContact O-N 2.92Å; T99-K103 HydrophobicContact CG2-CD 4.49Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 2.91Å; T99-K223 VanDerWaalsContact OG1-CE 3.27Å; T99-K223 WeakPolarHBondContact OG1-CE 3.27Å; T99-K223 PolarHBondContact OG1-NZ 3.09Å
100Q96.3Very high94.8Very high114 Ų11483.4 Ų83.453%0.53340%0.404SS..Hα-helixtrans-65.2-44.2173.7-651768.800111L96 M97 V102 K103 Y104L96-Q100 PolarHBondContact O-N 3.39Å; M97-Q100 WeakPolarHBondContact O-CB 3.4Å; M97-Q100 PolarHBondContact O-N 3.44Å; Q100-V102 PolarHBondContact O-N 3.31Å; Q100-K103 PolarHBondContact O-N 2.85Å; Q100-Y104 WeakPolarHBondContact O-CB 3.49Å; Q100-Y104 PolarHBondContact O-N 3.38Å
101D96.5Very high95.1Very high80 Ų8082.4 Ų82.443%0.42840%0.402SS..Hα-helixtrans-60.6-47.1178.8-67.1-25.1000112.4M97 R98 K103 Y104 I105 I219M97-D101 PolarHBondContact O-N 3.11Å; R98-D101 PolarHBondContact O-N 3.12Å; D101-K103 PolarHBondContact O-N 3.38Å; D101-Y104 PolarHBondContact O-N 3.23Å; D101-I105 WeakPolarHBondContact O-CD1 3.36Å; D101-I105 WeakPolarHBondContact O-CG1 3.29Å; D101-I105 PolarHBondContact O-N 3.36Å; D101-I219 HydrophobicContact CB-CD1 4.34Å; D101-I219 HydrophobicContact CB-CG2 4.39Å
102V96.3Very high95.5Very high5 Ų578.2 Ų78.23%0.0337%0.374CS..Hα-helixtrans-58.5-49.1176.8171.20000110.2R98 Q100 Y104 I105 E106 I219R98-V102 VanDerWaalsContact O-CG2 3.31Å; R98-V102 WeakPolarHBondContact O-CG2 3.38Å; R98-V102 PolarHBondContact O-N 3.22Å; Q100-V102 PolarHBondContact O-N 3.31Å; V102-Y104 VanDerWaalsContact C-N 3.32Å; V102-Y104 PolarHBondContact O-N 2.94Å; V102-I105 PolarHBondContact O-N 3.19Å; V102-E106 HydrophobicContact CG1-CG 4.19Å; V102-E106 WeakPolarHBondContact O-CB 3.28Å; V102-E106 WeakPolarHBondContact O-CG 3.13Å; V102-E106 PolarHBondContact O-N 3.4Å; V102-I219 HydrophobicContact CG2-CB 3.83Å; V102-I219 HydrophobicContact CG2-CG2 3.44Å; V102-I219 VanDerWaalsContact CG2-CG2 3.44Å
103K97.1Very high95.9Very high138 Ų13872.5 Ų72.560%0.635%0.354SS*.Hα-helixtrans-59.7-42.5179.1-74.8179.2177.2-173.10112.1T99 Q100 D101 E106 M107T99-K103 HydrophobicContact CG2-CD 4.49Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 2.91Å; Q100-K103 PolarHBondContact O-N 2.85Å; D101-K103 PolarHBondContact O-N 3.38Å; K103-E106 PolarHBondContact O-N 3.49Å; K103-M107 WeakPolarHBondContact O-CB 3.47Å; K103-M107 PolarHBondContact O-N 2.98Å
104Y97.9Very high96.2Very high136 Ų13674.5 Ų74.553%0.53336%0.361SS..Hα-helixtrans-62.4-46177.4177-97.5000111.7Q100 D101 V102 M107 K108Q100-Y104 WeakPolarHBondContact O-CB 3.49Å; Q100-Y104 PolarHBondContact O-N 3.38Å; D101-Y104 PolarHBondContact O-N 3.23Å; V102-Y104 VanDerWaalsContact C-N 3.32Å; V102-Y104 PolarHBondContact O-N 2.94Å; Y104-M107 HydrophobicContact CD2-CE 3.69Å; Y104-M107 HydrophobicContact CE2-CE 3.84Å; Y104-M107 WeakPolarHBondContact O-CB 3.47Å; Y104-M107 PolarHBondContact O-N 3.25Å; Y104-K108 HydrophobicContact CD1-CG 4.42Å; Y104-K108 HydrophobicContact CE1-CG 4.01Å; Y104-K108 WeakPolarHBondContact O-CG 3.35Å; Y104-K108 PolarHBondContact O-N 2.79Å; Y104-K108 WeakPolarHBondContact OH-CE 3.5Å
105I97.6Very high96.4Very high21 Ų2175.9 Ų75.911%0.10837%0.365CS..Hα-helixtrans-67.3-40.3179.8-70160.1000110.9D101 V102 K108 R109 L212 I215 A216 I219D101-I105 WeakPolarHBondContact O-CD1 3.36Å; D101-I105 WeakPolarHBondContact O-CG1 3.29Å; D101-I105 PolarHBondContact O-N 3.36Å; V102-I105 PolarHBondContact O-N 3.19Å; I105-K108 PolarHBondContact O-N 2.98Å; I105-R109 WeakPolarHBondContact O-CB 3.33Å; I105-R109 PolarHBondContact O-N 3.4Å; I105-L212 HydrophobicContact CG2-CB 4.4Å; I105-L212 HydrophobicContact CG2-CD2 4.23Å; I105-I215 HydrophobicContact CD1-CG2 3.64Å; I105-A216 HydrophobicContact CG2-CB 3.9Å; I105-I219 HydrophobicContact CD1-CD1 3.2Å
106E96.6Very high96.6Very high79 Ų7972.9 Ų72.937%0.36935%0.352SS..Hα-helixtrans-61.3-45.9174.7-76179.7161.700111.7V102 K103 K108 R109 V110V102-E106 HydrophobicContact CG1-CG 4.19Å; V102-E106 WeakPolarHBondContact O-CB 3.28Å; V102-E106 WeakPolarHBondContact O-CG 3.13Å; V102-E106 PolarHBondContact O-N 3.4Å; K103-E106 PolarHBondContact O-N 3.49Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 3.04Å; E106-R109 WeakPolarHBondContact O-CB 3.32Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 VanDerWaalsContact O-N 3.12Å; E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 2.83Å
107M97.8Very high96.6Very high102 Ų10274.3 Ų74.350%0.50236%0.356SS..Hα-helixtrans-55.5-46.3173.4176.9-16265.900110.9K103 Y104 V110 A111K103-M107 WeakPolarHBondContact O-CB 3.47Å; K103-M107 PolarHBondContact O-N 2.98Å; Y104-M107 HydrophobicContact CD2-CE 3.69Å; Y104-M107 HydrophobicContact CE2-CE 3.84Å; Y104-M107 WeakPolarHBondContact O-CB 3.47Å; Y104-M107 PolarHBondContact O-N 3.25Å; M107-V110 PolarHBondContact O-N 3.14Å; M107-A111 WeakPolarHBondContact O-CB 3.29Å; M107-A111 PolarHBondContact O-N 3.37Å
108K98.1Very high96.6Very high83 Ų8377.7 Ų77.736%0.36136%0.364SS..Hα-helixtrans-65.2-38.9176.6-67.3-59.8-176.3-172.70112.2Y104 I105 E106 A111 E112 L212Y104-K108 HydrophobicContact CD1-CG 4.42Å; Y104-K108 HydrophobicContact CE1-CG 4.01Å; Y104-K108 WeakPolarHBondContact O-CG 3.35Å; Y104-K108 PolarHBondContact O-N 2.79Å; Y104-K108 WeakPolarHBondContact OH-CE 3.5Å; I105-K108 PolarHBondContact O-N 2.98Å; E106-K108 VanDerWaalsContact C-N 3.3Å; E106-K108 PolarHBondContact O-N 3.04Å; K108-A111 PolarHBondContact O-N 3.31Å; K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.95Å; K108-L212 HydrophobicContact CB-CD1 4.31Å
109R97.4Very high96.5Very high65 Ų6575.3 Ų75.325%0.24536%0.356CS..Hα-helixtrans-62.1-47.2176.2-169.9-172.872.7-162.50.8110.9I105 E106 A111 E112 A113 E209 L212I105-R109 WeakPolarHBondContact O-CB 3.33Å; I105-R109 PolarHBondContact O-N 3.4Å; E106-R109 WeakPolarHBondContact O-CB 3.32Å; E106-R109 PolarHBondContact O-N 3.01Å; E106-R109 VanDerWaalsContact O-N 3.12Å; R109-A111 PolarHBondContact O-N 3.35Å; R109-E112 PolarHBondContact O-N 3.41Å; R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.33Å; R109-E209 HydrophobicContact CG-CG 4.17Å; R109-L212 HydrophobicContact CB-CB 4.3Å; R109-L212 HydrophobicContact CG-CB 4.43Å
110V97.3Very high96.3Very high70 Ų7078.7 Ų78.742%0.42437%0.368SS..Hα-helixtrans-62.1-43.9177.1172.50000111E106 M107 E112 A113 K114E106-V110 WeakPolarHBondContact O-CG2 3.37Å; E106-V110 PolarHBondContact O-N 2.83Å; M107-V110 PolarHBondContact O-N 3.14Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.91Å; V110-A113 PolarHBondContact O-N 3.34Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.26Å
111A97.6Very high96Very high40 Ų4077.8 Ų77.833%0.33137%0.374SS..Hα-helixtrans-61.7-39.2176.300000112.3M107 K108 R109 K115M107-A111 WeakPolarHBondContact O-CB 3.29Å; M107-A111 PolarHBondContact O-N 3.37Å; K108-A111 PolarHBondContact O-N 3.31Å; R109-A111 PolarHBondContact O-N 3.35Å; A111-K115 VanDerWaalsContact O-CG 3.31Å; A111-K115 WeakPolarHBondContact O-CG 3.34Å; A111-K115 PolarHBondContact O-N 3.18Å
112E97.4Very high95.7Very high8 Ų879 Ų794%0.03738%0.377CS..Hα-helixtrans-71.1-39.8174.7-72.4-57.2127.900112.3K108 R109 V110 K114 K115 I116 R205 L212K108-E112 WeakPolarHBondContact O-CG 3.42Å; K108-E112 PolarHBondContact O-N 2.95Å; R109-E112 PolarHBondContact O-N 3.41Å; V110-E112 VanDerWaalsContact C-N 3.32Å; V110-E112 PolarHBondContact O-N 2.91Å; E112-K114 PolarHBondContact O-N 3.39Å; E112-K115 PolarHBondContact O-N 3.04Å; E112-K115 VanDerWaalsContact O-N 3.13Å; E112-K115 IonicContact OE1-NZ 3.39Å; E112-K115 PolarHBondContact OE1-NZ 2.86Å; E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 3.4Å; E112-R205 IonicContact OE1-NH1 2.68Å; E112-R205 PolarHBondContact OE1-NH1 3.44Å; E112-R205 IonicContact OE2-CZ 3.03Å; E112-R205 IonicContact OE2-NH1 3.73Å; E112-R205 PolarHBondContact OE2-NH1 3.14Å; E112-L212 HydrophobicContact CG-CD1 4.19Å
113A97Very high95.2Very high41 Ų4179.8 Ų79.834%0.33938%0.381SS..Hα-helixtrans-58.2-45.6175.300000111.7R109 V110 K115 I116 E117R109-A113 WeakPolarHBondContact O-CB 3.38Å; R109-A113 PolarHBondContact O-N 3.33Å; V110-A113 PolarHBondContact O-N 3.34Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.84Å; A113-I116 WeakPolarHBondContact O-CB 3.27Å; A113-I116 PolarHBondContact O-N 2.88Å; A113-E117 WeakPolarHBondContact O-CB 3.44Å; A113-E117 PolarHBondContact O-N 2.88Å
114K97.3Very high94.4Very high139 Ų13980.7 Ų80.760%0.60439%0.388SS*.Hα-helixtrans-61.6-37.8174.8-71-175.8178.6-171.80112.8V110 E112 E117 R118V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.26Å; E112-K114 PolarHBondContact O-N 3.39Å; K114-E117 PolarHBondContact O-N 2.99Å; K114-R118 WeakPolarHBondContact O-CB 3.47Å; K114-R118 PolarHBondContact O-N 3.46Å
115K96.2Very high93.6Very high90 Ų9076.4 Ų76.439%0.39137%0.374SS..Hα-helixtrans-69.1-37.8175.5-68.9173-161.6167.90112A111 E112 A113 L119A111-K115 VanDerWaalsContact O-CG 3.31Å; A111-K115 WeakPolarHBondContact O-CG 3.34Å; A111-K115 PolarHBondContact O-N 3.18Å; E112-K115 PolarHBondContact O-N 3.04Å; E112-K115 VanDerWaalsContact O-N 3.13Å; E112-K115 IonicContact OE1-NZ 3.39Å; E112-K115 PolarHBondContact OE1-NZ 2.86Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 2.84Å; K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.19Å
116I95.3Very high92.6Very high14 Ų1478.8 Ų78.87%0.07239%0.386CS..Hα-helixtrans-62.7-46.3173.8-69.7164.4000109.8E112 A113 L119 K120 L202 R205 I206 E209E112-I116 VanDerWaalsContact O-CG1 3.32Å; E112-I116 WeakPolarHBondContact O-CG1 3.34Å; E112-I116 PolarHBondContact O-N 3.4Å; A113-I116 WeakPolarHBondContact O-CB 3.27Å; A113-I116 PolarHBondContact O-N 2.88Å; I116-L119 PolarHBondContact O-N 3.13Å; I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.3Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 VanDerWaalsContact O-CG 3.29Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.43Å; I116-L202 HydrophobicContact CG2-CD1 4.01Å; I116-R205 HydrophobicContact CD1-CB 4.21Å; I116-R205 HydrophobicContact CG1-CB 3.7Å; I116-I206 HydrophobicContact CD1-CG1 4.26Å; I116-I206 HydrophobicContact CG1-CG1 4.47Å; I116-I206 HydrophobicContact CG2-CG1 4.13Å; I116-E209 HydrophobicContact CD1-CB 3.69Å; I116-E209 HydrophobicContact CD1-CG 4.12Å
117E95.1Very high91.3Very high136 Ų13678.7 Ų78.764%0.63639%0.388SS*.Hα-helixtrans-58.8-49.8177.9-172.5-177.2177.200111.4A113 K114 L119 K120 S121A113-E117 WeakPolarHBondContact O-CB 3.44Å; A113-E117 PolarHBondContact O-N 2.88Å; K114-E117 PolarHBondContact O-N 2.99Å; E117-L119 PolarHBondContact O-N 3.43Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 2.88Å; E117-K120 VanDerWaalsContact O-N 3.15Å; E117-S121 PolarHBondContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.44Å
118R94.7Very high90.2Very high170 Ų17076.3 Ų76.364%0.64238%0.375SS*.Hα-helixtrans-58.8-45.3175.9-177.3175.9176.8160.43.7112.9K114 K120 S121 E122K114-R118 WeakPolarHBondContact O-CB 3.47Å; K114-R118 PolarHBondContact O-N 3.46Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 2.74Å; R118-S121 WeakPolarHBondContact CA-OG 3.37Å; R118-S121 PolarHBondContact O-N 3.18Å; R118-S121 PolarHBondContact O-OG 2.76Å; R118-E122 WeakPolarHBondContact CG-OE1 3.4Å; R118-E122 IonicContact CZ-OE1 3.25Å; R118-E122 IonicContact NE-OE1 2.79Å; R118-E122 PolarHBondContact NE-OE1 3.46Å; R118-E122 IonicContact NH2-OE1 2.82Å; R118-E122 WeakPolarHBondContact O-CG 2.92Å; R118-E122 PolarHBondContact O-N 3.3Å
119L92.2Very high88.7Confident21 Ų2181.7 Ų81.711%0.1140%0.401CS..Hα-helixtrans-65.6-37.4176.7-75.6170.6000111.8K115 I116 E117 S121 E122 L123 L202 R205K115-L119 WeakPolarHBondContact O-CB 3.42Å; K115-L119 WeakPolarHBondContact O-CG 3.23Å; K115-L119 PolarHBondContact O-N 3.19Å; I116-L119 PolarHBondContact O-N 3.13Å; E117-L119 PolarHBondContact O-N 3.43Å; L119-S121 VanDerWaalsContact C-N 3.34Å; L119-E122 PolarHBondContact O-N 2.98Å; L119-L123 HydrophobicContact CB-CD1 4.45Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 WeakPolarHBondContact O-CD1 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.2Å; L119-L123 PolarHBondContact O-N 3.02Å; L119-L202 HydrophobicContact CB-CD1 4.11Å; L119-R205 VanDerWaalsContact CD1-CD 3.42Å
120K90.8Very high87.2Confident101 Ų10181.4 Ų81.444%0.43942%0.419SS..Hα-helixtrans-66.3-33.5174.7-77.5-179.7177.5-176.20112.4I116 E117 R118 L202I116-K120 HydrophobicContact CG2-CD 3.98Å; I116-K120 HydrophobicContact CG2-CG 4.3Å; I116-K120 WeakPolarHBondContact O-CB 3.31Å; I116-K120 VanDerWaalsContact O-CG 3.29Å; I116-K120 WeakPolarHBondContact O-CG 3.44Å; I116-K120 PolarHBondContact O-N 3.43Å; E117-K120 CarbonylContact O-C 3.56Å; E117-K120 WeakPolarHBondContact O-CB 3.44Å; E117-K120 PolarHBondContact O-N 2.88Å; E117-K120 VanDerWaalsContact O-N 3.15Å; R118-K120 VanDerWaalsContact C-N 3.33Å; R118-K120 PolarHBondContact O-N 2.74Å; K120-L202 HydrophobicContact CG-CD1 3.95Å; K120-L202 HydrophobicContact CG-CD2 4.19Å
121S90.1Very high85.9Confident94 Ų9482.1 Ų82.166%0.65742%0.416SS*.Hα-helixtrans-72.9-34.5174.757.90000112.5E117 R118 L119E117-S121 PolarHBondContact O-N 3.15Å; E117-S121 PolarHBondContact O-OG 3.44Å; R118-S121 WeakPolarHBondContact CA-OG 3.37Å; R118-S121 PolarHBondContact O-N 3.18Å; R118-S121 PolarHBondContact O-OG 2.76Å; L119-S121 VanDerWaalsContact C-N 3.34Å
122E89.4Confident84.7Confident106 Ų10688.3 Ų88.350%0.49544%0.438SS..Hα-helixtrans-75.8-32.2177.4-69.6170.5-168.400112R118 L119R118-E122 WeakPolarHBondContact CG-OE1 3.4Å; R118-E122 IonicContact CZ-OE1 3.25Å; R118-E122 IonicContact NE-OE1 2.79Å; R118-E122 PolarHBondContact NE-OE1 3.46Å; R118-E122 IonicContact NH2-OE1 2.82Å; R118-E122 WeakPolarHBondContact O-CG 2.92Å; R118-E122 PolarHBondContact O-N 3.3Å; L119-E122 PolarHBondContact O-N 2.98Å
123L86.6Confident83.9Confident21 Ų2195.8 Ų95.811%0.1147%0.473CS..  trans-91.3122.5178.8-72.7158.1000111.1L119 L125 Q198 Y199 L202L119-L123 HydrophobicContact CB-CD1 4.45Å; L119-L123 VanDerWaalsContact O-CB 3.24Å; L119-L123 WeakPolarHBondContact O-CB 3.23Å; L119-L123 WeakPolarHBondContact O-CD1 3.49Å; L119-L123 WeakPolarHBondContact O-CG 3.2Å; L119-L123 PolarHBondContact O-N 3.02Å; L123-L125 HydrophobicContact CB-CD2 4.13Å; L123-L125 PolarHBondContact O-N 3.35Å; L123-Q198 HydrophobicContact CD1-CB 4.22Å; L123-Q198 HydrophobicContact CD2-CB 3.77Å; L123-Q198 HydrophobicContact CG-CB 4.45Å; L123-Y199 HydrophobicContact CB-CE1 4.47Å; L123-Y199 HydrophobicContact CD1-CD1 4.43Å; L123-Y199 HydrophobicContact CD2-CD1 4.39Å; L123-Y199 HydrophobicContact CD2-CE1 4.11Å; L123-L202 HydrophobicContact CD1-CB 4.23Å; L123-L202 HydrophobicContact CD1-CD2 3.95Å
124H79.8Confident83.2Confident158 Ų158100.5 Ų100.573%0.73149%0.492SS*.  trans-65.9-6.4174.5-57.5-67.6000114.4L126H124-L126 HydrophobicContact CB-CD1 3.73Å; H124-L126 HydrophobicContact CB-CG 3.77Å; H124-L126 PolarHBondContact O-N 2.83Å
125L81.3Confident82.8Confident46 Ų46103.5 Ų103.524%0.24151%0.506CS..  trans56.15-178.2-57.5176000115.1L123 D127 F128 K131 Y199 L202L123-L125 HydrophobicContact CB-CD2 4.13Å; L123-L125 PolarHBondContact O-N 3.35Å; L125-D127 VanDerWaalsContact C-N 3.35Å; L125-D127 PolarHBondContact O-N 3.46Å; L125-F128 HydrophobicContact CB-CB 4.47Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.34Å; L125-K131 VanDerWaalsContact C-CE 3.48Å; L125-K131 VanDerWaalsContact O-CD 3.22Å; L125-K131 WeakPolarHBondContact O-CD 3.49Å; L125-K131 WeakPolarHBondContact O-CE 3.47Å; L125-K131 PolarHBondContact O-NZ 3.37Å; L125-Y199 VanDerWaalsContact C-OH 3.28Å; L125-Y199 VanDerWaalsContact CA-OH 3.25Å; L125-Y199 WeakPolarHBondContact CA-OH 3.41Å; L125-Y199 HydrophobicContact CD2-CE1 3.97Å; L125-Y199 PolarHBondContact N-OH 3.38Å; L125-L202 HydrophobicContact CD2-CD2 3.73Å
126L76.6Confident82.5Confident71 Ų71106.3 Ų106.337%0.37252%0.52SS..THydrogen-bonded Turntrans-50.4-47.1-169.2-68.1169.1000113.7H124 K131 F166 Y199H124-L126 HydrophobicContact CB-CD1 3.73Å; H124-L126 HydrophobicContact CB-CG 3.77Å; H124-L126 PolarHBondContact O-N 2.83Å; L126-K131 PolarHBondContact O-NZ 3.44Å; L126-F166 HydrophobicContact CB-CD1 3.88Å; L126-F166 HydrophobicContact CB-CD2 4.31Å; L126-F166 HydrophobicContact CB-CE1 3.61Å; L126-F166 HydrophobicContact CB-CE2 4Å; L126-F166 HydrophobicContact CB-CG 4.24Å; L126-F166 HydrophobicContact CB-CZ 3.66Å; L126-F166 HydrophobicContact CD1-CD2 3.62Å; L126-F166 HydrophobicContact CD1-CE2 3.68Å; L126-F166 HydrophobicContact CD1-CG 4.06Å; L126-F166 HydrophobicContact CD1-CZ 4.25Å; L126-F166 HydrophobicContact CD2-CB 3.95Å; L126-F166 HydrophobicContact CD2-CD1 3.95Å; L126-F166 HydrophobicContact CD2-CD2 4.22Å; L126-F166 HydrophobicContact CD2-CG 3.77Å; L126-F166 HydrophobicContact CG-CD1 4.31Å; L126-F166 HydrophobicContact CG-CD2 4.24Å; L126-F166 HydrophobicContact CG-CE1 4.46Å; L126-F166 HydrophobicContact CG-CE2 4.31Å; L126-F166 HydrophobicContact CG-CG 4.22Å; L126-F166 HydrophobicContact CG-CZ 4.45Å; L126-Y199 PolarHBondContact N-OH 3.03Å
127D70.2Confident82.4Confident76 Ų76110.1 Ų110.141%0.40654%0.543SS..THydrogen-bonded Turntrans-9913.9-177.9-52.6-39.5000113.8L125 Q129 F166 R195L125-D127 VanDerWaalsContact C-N 3.35Å; L125-D127 PolarHBondContact O-N 3.46Å; D127-Q129 PolarHBondContact O-N 3.21Å; D127-F166 VanDerWaalsContact OD1-CE1 3.32Å; D127-F166 WeakPolarHBondContact OD1-CE1 3.34Å; D127-F166 VanDerWaalsContact OD1-CZ 3.22Å; D127-F166 WeakPolarHBondContact OD1-CZ 3.31Å; D127-R195 IonicContact OD2-CZ 2.76Å; D127-R195 IonicContact OD2-NH1 2.97Å; D127-R195 PolarHBondContact OD2-NH1 2.91Å
128F73.9Confident82.2Confident52 Ų52106.5 Ų106.523%0.22853%0.526CS..  trans-75.1116.7-176.3-171.9-108.4000111L125 G130 K131 Y199L125-F128 HydrophobicContact CB-CB 4.47Å; L125-F128 WeakPolarHBondContact O-CB 3.47Å; L125-F128 PolarHBondContact O-N 3.34Å; F128-G130 PolarHBondContact O-N 2.97Å; F128-G130 VanDerWaalsContact O-N 3.1Å; F128-K131 HydrophobicContact CB-CG 4.42Å; F128-K131 WeakPolarHBondContact O-CB 3.32Å; F128-K131 WeakPolarHBondContact O-CG 3.45Å; F128-K131 PolarHBondContact O-N 3.17Å; F128-K131 VanDerWaalsContact O-N 3.1Å; F128-Y199 HydrophobicContact CB-CD1 4.24Å; F128-Y199 HydrophobicContact CB-CE1 3.84Å; F128-Y199 AromaticContact CD2-CD1 3.46Å; F128-Y199 HydrophobicContact CD2-CD1 3.46Å; F128-Y199 VanDerWaalsContact CD2-CD1 3.46Å; F128-Y199 AromaticContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CG 4.12Å; F128-Y199 HydrophobicContact CE2-CD1 4.24Å; F128-Y199 HydrophobicContact CG-CD1 4.23Å; F128-Y199 HydrophobicContact CG-CE1 4.27Å
129Q67.3Low82.2Confident196 Ų196107.1 Ų107.192%0.91653%0.533SS*.THydrogen-bonded Turntrans-60.2-20.6-178.1-70.5179.2-18.900114.4D127 K131D127-Q129 PolarHBondContact O-N 3.21Å; Q129-K131 VanDerWaalsContact C-N 3.27Å; Q129-K131 PolarHBondContact O-N 3.13Å
130G65.2Low82.2Confident59 Ų59109 Ų10961%0.60854%0.541SS*.THydrogen-bonded Turntrans-85.914.5176.500000114.8F128F128-G130 PolarHBondContact O-N 2.97Å; F128-G130 VanDerWaalsContact O-N 3.1Å
131K70.2Confident82.4Confident85 Ų85112 Ų11237%0.3756%0.562SS.*SBendtrans-73147.2175.5-86.7-179155.6175.70111.9L125 L126 F128 Q129 Q133L125-K131 VanDerWaalsContact C-CE 3.48Å; L125-K131 VanDerWaalsContact O-CD 3.22Å; L125-K131 WeakPolarHBondContact O-CD 3.49Å; L125-K131 WeakPolarHBondContact O-CE 3.47Å; L125-K131 PolarHBondContact O-NZ 3.37Å; L126-K131 PolarHBondContact O-NZ 3.44Å; F128-K131 HydrophobicContact CB-CG 4.42Å; F128-K131 WeakPolarHBondContact O-CB 3.32Å; F128-K131 WeakPolarHBondContact O-CG 3.45Å; F128-K131 PolarHBondContact O-N 3.17Å; F128-K131 VanDerWaalsContact O-N 3.1Å; Q129-K131 VanDerWaalsContact C-N 3.27Å; Q129-K131 PolarHBondContact O-N 3.13Å; K131-Q133 PolarHBondContact O-N 2.7Å
132Q72.8Confident82.6Confident170 Ų170110.6 Ų110.679%0.79455%0.549SS*.  trans-65.8127.5166.9-173.6170.8-28.900108.9N134Q132-N134 PolarHBondContact O-N 2.86Å
133Q79.9Confident82.8Confident166 Ų166114 Ų11478%0.77656%0.563SS**  trans-70.5111.6175.9-64.7-67.2-13.700108.4K131K131-Q133 PolarHBondContact O-N 2.7Å
134N83.2Confident83.1Confident139 Ų139120.6 Ų120.674%0.74359%0.59SS**  trans-85.4139.8176.8-70.3-11.1000109.6Q132Q132-N134 PolarHBondContact O-N 2.86Å
135K88.9Confident83.5Confident203 Ų203117 Ų11788%0.88357%0.574SS**  trans-92.8127.8175.7-63.7-178.1179.1-177.40109.1
136H89Confident83.9Confident148 Ų148119 Ų11969%0.68559%0.588SS**  trans-107.5121.6170.3-170.3-86.1000108.5F138H136-F138 AromaticContact CE1-CD1 4Å; H136-F138 AromaticContact CE1-CE1 3.49Å; H136-F138 VanDerWaalsContact CE1-CE1 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE1 3.35Å; H136-F138 AromaticContact CE1-CZ 3.58Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 AromaticContact ND1-CE1 3.7Å; H136-F138 AromaticContact ND1-CE2 3.49Å; H136-F138 WeakPolarHBondContact ND1-CE2 3.34Å; H136-F138 AromaticContact ND1-CZ 3.34Å; H136-F138 VanDerWaalsContact ND1-CZ 3.34Å; H136-F138 WeakPolarHBondContact ND1-CZ 3.34Å
137V92.4Very high84.6Confident94 Ų94123.5 Ų123.557%0.5761%0.607SS**  trans-109.6129.4-175.6-177.40000108.6F139V137-F139 HydrophobicContact CG1-CE1 4.29Å; V137-F139 HydrophobicContact CG1-CE2 4.37Å; V137-F139 HydrophobicContact CG1-CZ 4.07Å
138F92Very high85.7Confident60 Ų60127.9 Ų127.926%0.26363%0.625SS.*  trans-98.1140.7173.1-63.8-83.7000109.3H136 F140 F149 L155H136-F138 AromaticContact CE1-CD1 4Å; H136-F138 AromaticContact CE1-CE1 3.49Å; H136-F138 VanDerWaalsContact CE1-CE1 3.49Å; H136-F138 WeakPolarHBondContact CE1-CE1 3.35Å; H136-F138 AromaticContact CE1-CZ 3.58Å; H136-F138 AromaticContact ND1-CD2 3.98Å; H136-F138 AromaticContact ND1-CE1 3.7Å; H136-F138 AromaticContact ND1-CE2 3.49Å; H136-F138 WeakPolarHBondContact ND1-CE2 3.34Å; H136-F138 AromaticContact ND1-CZ 3.34Å; H136-F138 VanDerWaalsContact ND1-CZ 3.34Å; H136-F138 WeakPolarHBondContact ND1-CZ 3.34Å; F138-F140 HydrophobicContact CB-CD2 4.48Å; F138-F140 HydrophobicContact CB-CE2 3.55Å; F138-F140 HydrophobicContact CB-CZ 3.94Å; F138-F149 HydrophobicContact CB-CZ 4.19Å; F138-F149 HydrophobicContact CD1-CZ 4.19Å; F138-F149 AromaticContact CD2-CE1 3.85Å; F138-F149 HydrophobicContact CD2-CE1 3.85Å; F138-F149 AromaticContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CE1-CZ 4.49Å; F138-F149 HydrophobicContact CE2-CE1 4.34Å; F138-F149 AromaticContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CG-CE1 4.28Å; F138-F149 AromaticContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CZ-CZ 4.38Å; F138-L155 HydrophobicContact CE1-CD2 4.33Å; F138-L155 HydrophobicContact CZ-CD2 4.44Å
139F94.1Very high86.5Confident183 Ų183128.3 Ų128.380%0.80363%0.627SS**  trans-112.1136.7179.2-62-84.1000109.1V137V137-F139 HydrophobicContact CG1-CE1 4.29Å; V137-F139 HydrophobicContact CG1-CE2 4.37Å; V137-F139 HydrophobicContact CG1-CZ 4.07Å
140F93.4Very high87.7Confident60 Ų60122.7 Ų122.726%0.26360%0.603SS.*  trans-133.4148.3179.7-64.7-77.8000109.2F138 E145 V146 F149F138-F140 HydrophobicContact CB-CD2 4.48Å; F138-F140 HydrophobicContact CB-CE2 3.55Å; F138-F140 HydrophobicContact CB-CZ 3.94Å; F140-E145 HydrophobicContact CB-CB 4.11Å; F140-E145 HydrophobicContact CD1-CB 3.99Å; F140-E145 HydrophobicContact CG-CB 4.23Å; F140-V146 HydrophobicContact CB-CG2 3.86Å; F140-V146 HydrophobicContact CD2-CG2 4.06Å; F140-V146 HydrophobicContact CG-CG2 4.26Å; F140-F149 AromaticContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CE2 4.23Å; F140-F149 HydrophobicContact CE2-CB 4.49Å; F140-F149 HydrophobicContact CE2-CD1 4.3Å; F140-F149 AromaticContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CE1 4.48Å; F140-F149 AromaticContact CE2-CE2 3.97Å; F140-F149 HydrophobicContact CE2-CE2 3.97Å; F140-F149 AromaticContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CZ 4.32Å; F140-F149 AromaticContact CZ-CD2 3.18Å; F140-F149 HydrophobicContact CZ-CD2 3.18Å; F140-F149 AromaticContact CZ-CE2 3.29Å; F140-F149 HydrophobicContact CZ-CE2 3.29Å; F140-F149 AromaticContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CZ 4.02Å
141D93.4Very high88.9Confident164 Ų164121.8 Ų121.888%0.87759%0.586SS**SBendtrans-82.8-30.8-175.9-68.1-28.5000111.4
142T95.7Very high89.9Confident65 Ų65118.5 Ų118.540%0.39957%0.574SS.*SBendtrans-119.2149.4-17974.60000113.2K144 E145T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.46Å; T142-E145 PolarHBondContact O-N 3.1Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.42Å; T142-E145 PolarHBondContact OG1-N 2.89Å; T142-E145 PolarHBondContact OG1-OE1 3.36Å
143K93Very high90.8Very high179 Ų179115.2 Ų115.278%0.77857%0.566SS**Hα-helixtrans-65.6-29.8177.5-65.8-176.2-179.8179.70113E145 V146 E147K143-E145 VanDerWaalsContact C-N 3.34Å; K143-V146 WeakPolarHBondContact O-CB 3.45Å; K143-V146 PolarHBondContact O-N 3Å; K143-E147 PolarHBondContact O-N 3.17Å
144K92.2Very high91.3Very high159 Ų159111.9 Ų111.969%0.69155%0.55SS**Hα-helixtrans-66.6-36.8178.7-65.7-176.1179.1-1790111.8T142 V146 E147 Q148T142-K144 VanDerWaalsContact C-N 3.27Å; T142-K144 PolarHBondContact O-N 3.46Å; K144-V146 VanDerWaalsContact C-N 3.32Å; K144-E147 PolarHBondContact O-N 3.41Å; K144-Q148 PolarHBondContact O-N 3.23Å
145E89.3Confident91.7Very high83 Ų83107.5 Ų107.539%0.38853%0.526SS..Hα-helixtrans-64-37.9174.4-73.7156.6-140.500111.9F140 T142 K143 E147 Q148 F149F140-E145 HydrophobicContact CB-CB 4.11Å; F140-E145 HydrophobicContact CD1-CB 3.99Å; F140-E145 HydrophobicContact CG-CB 4.23Å; T142-E145 PolarHBondContact O-N 3.1Å; T142-E145 VanDerWaalsContact OG1-CG 3.27Å; T142-E145 WeakPolarHBondContact OG1-CG 3.42Å; T142-E145 PolarHBondContact OG1-N 2.89Å; T142-E145 PolarHBondContact OG1-OE1 3.36Å; K143-E145 VanDerWaalsContact C-N 3.34Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.88Å; E145-Q148 PolarHBondContact O-N 2.79Å; E145-F149 WeakPolarHBondContact O-CB 3.18Å; E145-F149 PolarHBondContact O-N 2.86Å; E145-F149 VanDerWaalsContact O-N 3.11Å
146V90.3Very high91.9Very high88 Ų88102 Ų10253%0.53350%0.504SS..Hα-helixtrans-63.5-40.6177.1-178.90000111.5F140 K143 K144 F149F140-V146 HydrophobicContact CB-CG2 3.86Å; F140-V146 HydrophobicContact CD2-CG2 4.06Å; F140-V146 HydrophobicContact CG-CG2 4.26Å; K143-V146 WeakPolarHBondContact O-CB 3.45Å; K143-V146 PolarHBondContact O-N 3Å; K144-V146 VanDerWaalsContact C-N 3.32Å; V146-F149 WeakPolarHBondContact O-CB 3.43Å; V146-F149 PolarHBondContact O-N 3.4Å
147E90.8Very high92.1Very high164 Ų16495.2 Ų95.277%0.76647%0.473SS*.Hα-helixtrans-70-31.7-179.6-70.7174.7-176.800113.1K143 K144 E145K143-E147 PolarHBondContact O-N 3.17Å; K144-E147 PolarHBondContact O-N 3.41Å; E145-E147 VanDerWaalsContact C-N 3.34Å; E145-E147 PolarHBondContact O-N 2.88Å
148Q92.4Very high92Very high168 Ų16892 Ų9279%0.78546%0.456SS*.THydrogen-bonded Turntrans-93.42.6179.6-65.4178.4-6.400113.2K144 E145 D150K144-Q148 PolarHBondContact O-N 3.23Å; E145-Q148 PolarHBondContact O-N 2.79Å; Q148-D150 PolarHBondContact O-N 3.46Å
149F90.9Very high91.9Very high62 Ų6294 Ų9427%0.27248%0.475SS..  trans-69.3118-171.6177.9-115.1000112.1F138 F140 E145 V146 V151 H154F138-F149 HydrophobicContact CB-CZ 4.19Å; F138-F149 HydrophobicContact CD1-CZ 4.19Å; F138-F149 AromaticContact CD2-CE1 3.85Å; F138-F149 HydrophobicContact CD2-CE1 3.85Å; F138-F149 AromaticContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CD2-CZ 3.61Å; F138-F149 HydrophobicContact CE1-CZ 4.49Å; F138-F149 HydrophobicContact CE2-CE1 4.34Å; F138-F149 AromaticContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CE2-CZ 3.96Å; F138-F149 HydrophobicContact CG-CE1 4.28Å; F138-F149 AromaticContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CG-CZ 3.74Å; F138-F149 HydrophobicContact CZ-CZ 4.38Å; F140-F149 AromaticContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CD2 3.93Å; F140-F149 HydrophobicContact CE1-CE2 4.23Å; F140-F149 HydrophobicContact CE2-CB 4.49Å; F140-F149 HydrophobicContact CE2-CD1 4.3Å; F140-F149 AromaticContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CD2 3.73Å; F140-F149 HydrophobicContact CE2-CE1 4.48Å; F140-F149 AromaticContact CE2-CE2 3.97Å; F140-F149 HydrophobicContact CE2-CE2 3.97Å; F140-F149 AromaticContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CG 3.91Å; F140-F149 HydrophobicContact CE2-CZ 4.32Å; F140-F149 AromaticContact CZ-CD2 3.18Å; F140-F149 HydrophobicContact CZ-CD2 3.18Å; F140-F149 AromaticContact CZ-CE2 3.29Å; F140-F149 HydrophobicContact CZ-CE2 3.29Å; F140-F149 AromaticContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CG 3.84Å; F140-F149 HydrophobicContact CZ-CZ 4.02Å; E145-F149 WeakPolarHBondContact O-CB 3.18Å; E145-F149 PolarHBondContact O-N 2.86Å; E145-F149 VanDerWaalsContact O-N 3.11Å; V146-F149 WeakPolarHBondContact O-CB 3.43Å; V146-F149 PolarHBondContact O-N 3.4Å; F149-V151 HydrophobicContact CE1-CG2 3.7Å; F149-V151 HydrophobicContact CZ-CG2 4.01Å; F149-H154 HydrophobicContact CD2-CB 4.33Å; F149-H154 HydrophobicContact CE2-CB 3.58Å; F149-H154 AromaticContact CE2-CD2 3.84Å; F149-H154 AromaticContact CE2-CG 3.63Å; F149-H154 HydrophobicContact CZ-CB 4.4Å
150D92.2Very high91.7Very high77 Ų7793.7 Ų93.741%0.41248%0.476SS..  trans-116.1133.8165.9165.149.3000110.5Q148 A152 T153 H154Q148-D150 PolarHBondContact O-N 3.46Å; D150-A152 PolarHBondContact OD1-N 3.24Å; D150-T153 WeakPolarHBondContact CB-OG1 3.32Å; D150-T153 PolarHBondContact O-OG1 3.3Å; D150-T153 WeakPolarHBondContact OD2-CB 3.41Å; D150-T153 VanDerWaalsContact OD2-CG2 3.26Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.34Å; D150-T153 PolarHBondContact OD2-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.42Å; D150-H154 VanDerWaalsContact O-CB 3.28Å; D150-H154 WeakPolarHBondContact O-CB 3.44Å; D150-H154 PolarHBondContact O-N 2.95Å; D150-H154 VanDerWaalsContact O-N 3.11Å
151V90.4Very high91.5Very high41 Ų4192.7 Ų92.725%0.24847%0.473CS..Hα-helixtrans-71.1-36.1-174.4-176.20000111F149 L155 V162F149-V151 HydrophobicContact CE1-CG2 3.7Å; F149-V151 HydrophobicContact CZ-CG2 4.01Å; V151-L155 HydrophobicContact CG1-CD1 3.72Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.26Å; V151-V162 HydrophobicContact CB-CG1 3.98Å; V151-V162 HydrophobicContact CG1-CG1 3.68Å
152A91.8Very high91.3Very high15 Ų1586.3 Ų86.312%0.12444%0.44CS..Hα-helixtrans-67.9-47.8-176.400000111.3D150 Q156 T157 V162D150-A152 PolarHBondContact OD1-N 3.24Å; A152-Q156 WeakPolarHBondContact O-CA 3.25Å; A152-Q156 PolarHBondContact O-N 2.82Å; A152-T157 PolarHBondContact O-N 3.12Å; A152-V162 HydrophobicContact CB-CG2 3.78Å
153T91.5Very high90.8Very high101 Ų10190.2 Ų90.262%0.6246%0.458SS*.Hα-helixtrans-63.9-46.4175.946.70000112.1D150 L155 Q156D150-T153 WeakPolarHBondContact CB-OG1 3.32Å; D150-T153 PolarHBondContact O-OG1 3.3Å; D150-T153 WeakPolarHBondContact OD2-CB 3.41Å; D150-T153 VanDerWaalsContact OD2-CG2 3.26Å; D150-T153 WeakPolarHBondContact OD2-CG2 3.34Å; D150-T153 PolarHBondContact OD2-N 3.49Å; D150-T153 PolarHBondContact OD2-OG1 3.42Å; T153-L155 PolarHBondContact O-N 2.85Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 VanDerWaalsContact O-N 3.09Å
154H90.8Very high90.5Very high97 Ų9786.2 Ų86.245%0.44944%0.439SS..Hα-helixtrans-61.7-42.1179.3-179.7-84.6000112.7F149 D150 Q156F149-H154 HydrophobicContact CD2-CB 4.33Å; F149-H154 HydrophobicContact CE2-CB 3.58Å; F149-H154 AromaticContact CE2-CD2 3.84Å; F149-H154 AromaticContact CE2-CG 3.63Å; F149-H154 HydrophobicContact CZ-CB 4.4Å; D150-H154 VanDerWaalsContact O-CB 3.28Å; D150-H154 WeakPolarHBondContact O-CB 3.44Å; D150-H154 PolarHBondContact O-N 2.95Å; D150-H154 VanDerWaalsContact O-N 3.11Å; H154-Q156 VanDerWaalsContact C-N 3.27Å; H154-Q156 PolarHBondContact O-N 3.4Å
155L90.6Very high90.1Very high47 Ų4784.6 Ų84.625%0.24644%0.442CS..Hα-helixtrans-81.1-7.1177.6-63.5179.3000113.3F138 V151 T153 T157F138-L155 HydrophobicContact CE1-CD2 4.33Å; F138-L155 HydrophobicContact CZ-CD2 4.44Å; V151-L155 HydrophobicContact CG1-CD1 3.72Å; V151-L155 HydrophobicContact CG1-CG 4.28Å; V151-L155 WeakPolarHBondContact O-CB 3.35Å; V151-L155 WeakPolarHBondContact O-CG 3.37Å; V151-L155 PolarHBondContact O-N 3.26Å; T153-L155 PolarHBondContact O-N 2.85Å; L155-T157 HydrophobicContact CB-CG2 3.97Å; L155-T157 WeakPolarHBondContact O-CG2 3.4Å; L155-T157 PolarHBondContact O-N 3.13Å
156Q92.9Very high90Very high88 Ų8882.9 Ų82.941%0.41143%0.433SS..THydrogen-bonded Turntrans53.838.4-174.3-56.3177.4-35.800112.2A152 T153 H154 R170 I171A152-Q156 WeakPolarHBondContact O-CA 3.25Å; A152-Q156 PolarHBondContact O-N 2.82Å; T153-Q156 PolarHBondContact O-N 2.99Å; T153-Q156 VanDerWaalsContact O-N 3.09Å; H154-Q156 VanDerWaalsContact C-N 3.27Å; H154-Q156 PolarHBondContact O-N 3.4Å; Q156-R170 HydrophobicContact CB-CG 4.3Å; Q156-R170 CarbonylContact O-C 3.54Å; Q156-R170 VanDerWaalsContact O-CA 3.26Å; Q156-R170 WeakPolarHBondContact O-CA 3.32Å; Q156-I171 WeakPolarHBondContact O-CG1 3.47Å; Q156-I171 PolarHBondContact O-N 3Å
157T93.2Very high89.8Confident5 Ų584.3 Ų84.33%0.03144%0.438CS..  trans-114.9153.8-175.652.80000110.8A152 L155 R168 P169A152-T157 PolarHBondContact O-N 3.12Å; L155-T157 HydrophobicContact CB-CG2 3.97Å; L155-T157 WeakPolarHBondContact O-CG2 3.4Å; L155-T157 PolarHBondContact O-N 3.13Å; T157-R168 HydrophobicContact CG2-CB 4Å; T157-P169 WeakPolarHBondContact CG2-O 3.28Å
158A90.4Very high89.7Confident27 Ų2780.1 Ų80.122%0.22342%0.415CS..  trans-60.1142.9171.100000111E160 L161A158-E160 PolarHBondContact O-N 2.9Å; A158-L161 HydrophobicContact CB-CD1 4.34Å; A158-L161 HydrophobicContact CB-CG 4.5Å; A158-L161 PolarHBondContact O-N 3.37Å
159P91.4Very high89.7Confident101 Ų10173.6 Ų73.666%0.65639%0.387SS*.G310 helixtrans-58.4-33.4-176.821.7-32.5000112.8L161 V162P159-L161 PolarHBondContact O-N 2.84Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 WeakPolarHBondContact O-CG2 3.45Å; P159-V162 PolarHBondContact O-N 2.94Å
160E89.8Confident89.8Confident176 Ų17677.4 Ų77.482%0.82240%0.4SS*.G310 helixtrans-63.6-21.6177.6-58.3-178.4175.600114.1A158A158-E160 PolarHBondContact O-N 2.9Å
161L88.1Confident89.8Confident39 Ų3977.8 Ų77.820%0.20440%0.401CS..G310 helixtrans-97.3-5.4-176.7-62.9175.7000112.8A158 P159 D163 R164 P169 L174A158-L161 HydrophobicContact CB-CD1 4.34Å; A158-L161 HydrophobicContact CB-CG 4.5Å; A158-L161 PolarHBondContact O-N 3.37Å; P159-L161 PolarHBondContact O-N 2.84Å; L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.27Å; L161-R164 PolarHBondContact O-N 3.33Å; L161-P169 HydrophobicContact CD1-CG 4.16Å; L161-L174 HydrophobicContact CD1-CD1 4.41Å
162V88.9Confident89.9Confident30 Ų3080.6 Ų80.618%0.18241%0.411CS..SBendtrans-64.6-34.3-176.4174.50000111.9V151 A152 P159 R164 R168V151-V162 HydrophobicContact CB-CG1 3.98Å; V151-V162 HydrophobicContact CG1-CG1 3.68Å; A152-V162 HydrophobicContact CB-CG2 3.78Å; P159-V162 WeakPolarHBondContact O-CB 3.46Å; P159-V162 WeakPolarHBondContact O-CG2 3.45Å; P159-V162 PolarHBondContact O-N 2.94Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.67Å; V162-R168 PolarHBondContact O-NH1 2.87Å; V162-R168 PolarHBondContact O-NH2 3.23Å
163D86.9Confident89.9Confident147 Ų14782.3 Ų82.379%0.78642%0.42SS*.SBendtrans-73.6-25.5178.8-67.5-26.4000112.6L161 V165L161-D163 VanDerWaalsContact C-N 3.3Å; L161-D163 PolarHBondContact O-N 3.27Å; D163-V165 PolarHBondContact O-N 2.98Å
164R86.3Confident89.8Confident96 Ų9681.7 Ų81.736%0.36241%0.413SS..  trans-80.2111.6-173.9-177.5-173.1175178.3-3.4111.1L161 V162 F166 R168L161-R164 PolarHBondContact O-N 3.33Å; V162-R164 VanDerWaalsContact C-N 3.33Å; V162-R164 PolarHBondContact O-N 2.67Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 WeakPolarHBondContact CD-O 3.41Å; R164-F166 HydrophobicContact CG-CD1 4.22Å; R164-F166 HydrophobicContact CG-CE1 4.05Å; R164-F166 HydrophobicContact CG-CZ 4.36Å; R164-F166 WeakPolarHBondContact CG-O 3.48Å; R164-F166 PolarHBondContact NE-O 2.89Å; R164-F166 PolarHBondContact O-N 2.87Å; R164-R168 VanDerWaalsContact C-NH2 3.29Å; R164-R168 WeakPolarHBondContact O-CD 3.31Å; R164-R168 VanDerWaalsContact O-CG 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-NE 2.87Å; R164-R168 PolarHBondContact O-NH2 3.13Å
165V84.4Confident89.8Confident125 Ų12584.2 Ų84.276%0.75843%0.425SS*.  trans-64.1-25.6-173.4-176.20000115.3D163D163-V165 PolarHBondContact O-N 2.98Å
166F85.8Confident89.9Confident46 Ų4689.4 Ų89.420%0.20245%0.445CS..SBendtrans-121147.9-17262-82.5000112.1L126 D127 R164L126-F166 HydrophobicContact CB-CD1 3.88Å; L126-F166 HydrophobicContact CB-CD2 4.31Å; L126-F166 HydrophobicContact CB-CE1 3.61Å; L126-F166 HydrophobicContact CB-CE2 4Å; L126-F166 HydrophobicContact CB-CG 4.24Å; L126-F166 HydrophobicContact CB-CZ 3.66Å; L126-F166 HydrophobicContact CD1-CD2 3.62Å; L126-F166 HydrophobicContact CD1-CE2 3.68Å; L126-F166 HydrophobicContact CD1-CG 4.06Å; L126-F166 HydrophobicContact CD1-CZ 4.25Å; L126-F166 HydrophobicContact CD2-CB 3.95Å; L126-F166 HydrophobicContact CD2-CD1 3.95Å; L126-F166 HydrophobicContact CD2-CD2 4.22Å; L126-F166 HydrophobicContact CD2-CG 3.77Å; L126-F166 HydrophobicContact CG-CD1 4.31Å; L126-F166 HydrophobicContact CG-CD2 4.24Å; L126-F166 HydrophobicContact CG-CE1 4.46Å; L126-F166 HydrophobicContact CG-CE2 4.31Å; L126-F166 HydrophobicContact CG-CG 4.22Å; L126-F166 HydrophobicContact CG-CZ 4.45Å; D127-F166 VanDerWaalsContact OD1-CE1 3.32Å; D127-F166 WeakPolarHBondContact OD1-CE1 3.34Å; D127-F166 VanDerWaalsContact OD1-CZ 3.22Å; D127-F166 WeakPolarHBondContact OD1-CZ 3.31Å; R164-F166 VanDerWaalsContact C-N 3.31Å; R164-F166 WeakPolarHBondContact CD-O 3.41Å; R164-F166 HydrophobicContact CG-CD1 4.22Å; R164-F166 HydrophobicContact CG-CE1 4.05Å; R164-F166 HydrophobicContact CG-CZ 4.36Å; R164-F166 WeakPolarHBondContact CG-O 3.48Å; R164-F166 PolarHBondContact NE-O 2.89Å; R164-F166 PolarHBondContact O-N 2.87Å
167N86.9Confident89.7Confident118 Ų11891.7 Ų91.763%0.63146%0.456SS*.  trans50.267.2178.9-168.333.2000112.8P169N167-P169 WeakPolarHBondContact O-CD 3.31Å
168R89Confident89.4Confident77 Ų77100.6 Ų100.629%0.29149%0.494SS..  trans-98.490.1175-60.5177.3-171.2-147.1-19.6109.4T157 V162 R164T157-R168 HydrophobicContact CG2-CB 4Å; V162-R168 PolarHBondContact O-NH1 2.87Å; V162-R168 PolarHBondContact O-NH2 3.23Å; R164-R168 VanDerWaalsContact C-NH2 3.29Å; R164-R168 WeakPolarHBondContact O-CD 3.31Å; R164-R168 VanDerWaalsContact O-CG 3.24Å; R164-R168 WeakPolarHBondContact O-CG 3.31Å; R164-R168 PolarHBondContact O-NE 2.87Å; R164-R168 PolarHBondContact O-NH2 3.13Å
169P90.8Very high89.1Confident31 Ų31104.9 Ų104.920%0.20152%0.518CS..  trans-70.1145.1178.728.5-36.1000111.5T157 L161 N167 L174T157-P169 WeakPolarHBondContact CG2-O 3.28Å; L161-P169 HydrophobicContact CD1-CG 4.16Å; N167-P169 WeakPolarHBondContact O-CD 3.31Å; P169-L174 HydrophobicContact CB-CD2 4.17Å; P169-L174 HydrophobicContact CB-CG 4.19Å; P169-L174 HydrophobicContact CG-CD1 4.43Å; P169-L174 HydrophobicContact CG-CD2 3.67Å; P169-L174 HydrophobicContact CG-CG 4.01Å
170R93.2Very high88.6Confident142 Ų142109.9 Ų109.954%0.53653%0.529SS..  trans-69.9157171.6-65.9-175.1-178.9-177.53.8110.7Q156 E172 T173 L174Q156-R170 HydrophobicContact CB-CG 4.3Å; Q156-R170 CarbonylContact O-C 3.54Å; Q156-R170 VanDerWaalsContact O-CA 3.26Å; Q156-R170 WeakPolarHBondContact O-CA 3.32Å; R170-E172 PolarHBondContact O-N 3.23Å; R170-T173 WeakPolarHBondContact O-CB 3.41Å; R170-T173 PolarHBondContact O-N 3.3Å; R170-L174 PolarHBondContact O-N 3.21Å
171I92.8Very high88.4Confident84 Ų84104.7 Ų104.743%0.43152%0.522SS..Hα-helixtrans-56.1-41.1177.8-64.8162.3000111Q156 T173 L174 Q175Q156-I171 WeakPolarHBondContact O-CG1 3.47Å; Q156-I171 PolarHBondContact O-N 3Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.47Å; I171-L174 WeakPolarHBondContact O-CB 3.49Å; I171-L174 PolarHBondContact O-N 3.38Å; I171-Q175 WeakPolarHBondContact O-CG 3.39Å; I171-Q175 PolarHBondContact O-N 2.85Å; I171-Q175 VanDerWaalsContact O-N 3.08Å
172E93.1Very high88.2Confident100 Ų100106.5 Ų106.547%0.46754%0.535SS..Hα-helixtrans-61-40.3175.6-65.1-172.2-154.900113.2R170 L174 Q175 K176R170-E172 PolarHBondContact O-N 3.23Å; E172-L174 VanDerWaalsContact C-N 3.34Å; E172-Q175 PolarHBondContact O-N 3.5Å; E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.5Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 IonicContact OE2-NZ 3.98Å; E172-K176 PolarHBondContact OE2-NZ 3.47Å
173T90.7Very high88Confident51 Ų51109.6 Ų109.631%0.31355%0.554SS.*Hα-helixtrans-66.6-39.3178.3-47.30000110.6R170 I171 Q175 K176 E177R170-T173 WeakPolarHBondContact O-CB 3.41Å; R170-T173 PolarHBondContact O-N 3.3Å; I171-T173 VanDerWaalsContact C-N 3.33Å; I171-T173 PolarHBondContact O-N 3.47Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 2.95Å; T173-K176 PolarHBondContact O-N 3Å; T173-E177 HydrophobicContact CG2-CG 4.06Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.39Å
174L89.3Confident88.2Confident88 Ų88107.7 Ų107.746%0.46154%0.544SS..Hα-helixtrans-63.3-31.7174.9-70173.4000112.8L161 P169 R170 I171 E172L161-L174 HydrophobicContact CD1-CD1 4.41Å; P169-L174 HydrophobicContact CB-CD2 4.17Å; P169-L174 HydrophobicContact CB-CG 4.19Å; P169-L174 HydrophobicContact CG-CD1 4.43Å; P169-L174 HydrophobicContact CG-CD2 3.67Å; P169-L174 HydrophobicContact CG-CG 4.01Å; R170-L174 PolarHBondContact O-N 3.21Å; I171-L174 WeakPolarHBondContact O-CB 3.49Å; I171-L174 PolarHBondContact O-N 3.38Å; E172-L174 VanDerWaalsContact C-N 3.34Å
175Q90.8Very high88.4Confident151 Ų151109.7 Ų109.771%0.70656%0.557SS**Hα-helixtrans-77.1-38.1176-70.2174.6-500112.5I171 E172 T173I171-Q175 WeakPolarHBondContact O-CG 3.39Å; I171-Q175 PolarHBondContact O-N 2.85Å; I171-Q175 VanDerWaalsContact O-N 3.08Å; E172-Q175 PolarHBondContact O-N 3.5Å; T173-Q175 VanDerWaalsContact C-N 3.26Å; T173-Q175 PolarHBondContact O-N 2.95Å
176K92.7Very high88.8Confident155 Ų155109 Ų10967%0.67455%0.554SS**Hα-helixtrans-84.8-37.3-173.7-69.1169-176.41660113.1E172 T173E172-K176 WeakPolarHBondContact O-CB 3.4Å; E172-K176 VanDerWaalsContact O-CG 3.31Å; E172-K176 WeakPolarHBondContact O-CG 3.5Å; E172-K176 PolarHBondContact O-N 3Å; E172-K176 IonicContact OE2-NZ 3.98Å; E172-K176 PolarHBondContact OE2-NZ 3.47Å; T173-K176 PolarHBondContact O-N 3Å
177E88.8Confident89Confident137 Ų137107.7 Ų107.764%0.6455%0.553SS**PPolyproline II helixtrans-101.8143-171.1-63.2-169.517300113.5T173T173-E177 HydrophobicContact CG2-CG 4.06Å; T173-E177 WeakPolarHBondContact O-CB 3.43Å; T173-E177 PolarHBondContact O-N 3.39Å
178K86.9Confident89.2Confident191 Ų191106.4 Ų106.483%0.8355%0.545SS*.PPolyproline II helixtrans-87.7138.4171.2-64.6-175.2-178.51800110.5K180K178-K180 PolarHBondContact O-N 3.3Å
179V83.8Confident89.4Confident118 Ų118109.2 Ų109.272%0.71556%0.56SS**PPolyproline II helixtrans-61.3122.1176.4-178.60000110.1T183V179-T183 HydrophobicContact CG1-CG2 4.47Å
180K83Confident89.5Confident206 Ų206116.1 Ų116.190%0.89658%0.582SS**PPolyproline II helixtrans-86.4126.3174-63.8-178.6-177.1175.40109.9K178K178-K180 PolarHBondContact O-N 3.3Å
181G84.6Confident89.4Confident66 Ų66112.8 Ų112.868%0.6857%0.574SS**SBendtrans118.9-160.7174.800000113.9T183G181-T183 PolarHBondContact O-N 3.37Å
182V83.6Confident89.3Confident77 Ų77111.3 Ų111.347%0.46757%0.574SS.*  trans-78116.4-176.1-1760000110.1N184 L188 I191V182-N184 HydrophobicContact CG1-CB 4.4Å; V182-L188 WeakPolarHBondContact O-CD2 3.26Å; V182-I191 HydrophobicContact CB-CD1 4.22Å; V182-I191 HydrophobicContact CG2-CD1 4.27Å
183T85.3Confident89.3Confident95 Ų95113.2 Ų113.258%0.58358%0.581SS**  trans-95.8-20.8178.550.60000113V179 G181 Q185V179-T183 HydrophobicContact CG1-CG2 4.47Å; G181-T183 PolarHBondContact O-N 3.37Å; T183-Q185 PolarHBondContact O-N 2.99Å
184N90Very high89.3Confident107 Ų107115.4 Ų115.457%0.57259%0.588SS**  trans-62.7131.1-179-65.8-13.6000111.5V182 T186 G187 L188V182-N184 HydrophobicContact CG1-CB 4.4Å; N184-T186 VanDerWaalsContact C-N 3.25Å; N184-T186 PolarHBondContact O-N 2.92Å; N184-G187 WeakPolarHBondContact O-CA 3.38Å; N184-G187 PolarHBondContact O-N 3.48Å; N184-L188 PolarHBondContact O-N 3.3Å
185Q90.9Very high89.3Confident139 Ų139116.7 Ų116.765%0.6559%0.586SS**Hα-helixtrans-58-37-177.5-161.4-172.340.700112.8T183 K189T183-Q185 PolarHBondContact O-N 2.99Å; Q185-K189 WeakPolarHBondContact O-CG 3.29Å; Q185-K189 PolarHBondContact O-N 3.08Å; Q185-K189 VanDerWaalsContact O-N 3.09Å
186T92.1Very high89.3Confident111 Ų111114.4 Ų114.468%0.68158%0.576SS**Hα-helixtrans-65.8-40.8175.950.90000112.2N184 K189 R190N184-T186 VanDerWaalsContact C-N 3.25Å; N184-T186 PolarHBondContact O-N 2.92Å; T186-K189 PolarHBondContact O-N 2.82Å; T186-R190 PolarHBondContact O-N 3.16Å; T186-R190 VanDerWaalsContact O-N 3.1Å
187G91.4Very high89.3Confident18 Ų18113.1 Ų113.119%0.18657%0.57CS.*Hα-helixtrans-65.5-43.1176.100000112.4N184 K189 R190 I191N184-G187 WeakPolarHBondContact O-CA 3.38Å; N184-G187 PolarHBondContact O-N 3.48Å; G187-K189 PolarHBondContact O-N 2.9Å; G187-R190 WeakPolarHBondContact O-CB 3.16Å; G187-R190 PolarHBondContact O-N 3.38Å; G187-I191 WeakPolarHBondContact O-CG1 3.47Å; G187-I191 PolarHBondContact O-N 2.73Å
188L90.8Very high89.4Confident91 Ų91110.7 Ų110.748%0.47656%0.559SS.*Hα-helixtrans-60.1-44.7175-68.9173.2000112V182 N184 R190 I191 A192V182-L188 WeakPolarHBondContact O-CD2 3.26Å; N184-L188 PolarHBondContact O-N 3.3Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.76Å; L188-I191 PolarHBondContact O-N 2.97Å; L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.01Å
189K93.1Very high89.6Confident136 Ų136102.3 Ų102.359%0.59152%0.522SS*.Hα-helixtrans-60.5-38.8175.4-74177.6-178177.50112Q185 T186 G187 K193Q185-K189 WeakPolarHBondContact O-CG 3.29Å; Q185-K189 PolarHBondContact O-N 3.08Å; Q185-K189 VanDerWaalsContact O-N 3.09Å; T186-K189 PolarHBondContact O-N 2.82Å; G187-K189 PolarHBondContact O-N 2.9Å; K189-K193 WeakPolarHBondContact O-CB 2.97Å; K189-K193 PolarHBondContact O-N 3.09Å
190R93.6Very high90Very high176 Ų176100.2 Ų100.266%0.66451%0.507SS*.Hα-helixtrans-64.9-47.5177.1-173.2178.5177164.51.4111.6T186 G187 L188 A192 K193 E194T186-R190 PolarHBondContact O-N 3.16Å; T186-R190 VanDerWaalsContact O-N 3.1Å; G187-R190 WeakPolarHBondContact O-CB 3.16Å; G187-R190 PolarHBondContact O-N 3.38Å; L188-R190 VanDerWaalsContact C-N 3.3Å; L188-R190 PolarHBondContact O-N 2.76Å; R190-A192 PolarHBondContact O-N 2.76Å; R190-K193 PolarHBondContact O-N 2.94Å; R190-E194 IonicContact NE-OE1 3.08Å; R190-E194 PolarHBondContact NE-OE1 3.05Å; R190-E194 PolarHBondContact O-N 3.04Å
191I90.6Very high90.5Very high71 Ų7192.2 Ų92.236%0.36448%0.477SS..Hα-helixtrans-61.5-44177.6-66.1166.2000110.8V182 G187 L188 K193 E194 R195V182-I191 HydrophobicContact CB-CD1 4.22Å; V182-I191 HydrophobicContact CG2-CD1 4.27Å; G187-I191 WeakPolarHBondContact O-CG1 3.47Å; G187-I191 PolarHBondContact O-N 2.73Å; L188-I191 PolarHBondContact O-N 2.97Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.33Å; I191-E194 PolarHBondContact O-N 3.11Å; I191-R195 WeakPolarHBondContact O-CB 3.37Å; I191-R195 PolarHBondContact O-N 3.23Å
192A89.9Confident90.9Very high54 Ų5489.2 Ų89.245%0.44645%0.445SS..Hα-helixtrans-60.7-42.2176.600000111.8L188 R190 R195 Q196L188-A192 WeakPolarHBondContact O-CB 3.45Å; L188-A192 PolarHBondContact O-N 3.01Å; R190-A192 PolarHBondContact O-N 2.76Å; A192-R195 PolarHBondContact O-N 3.48Å; A192-Q196 WeakPolarHBondContact O-CB 3.49Å; A192-Q196 PolarHBondContact O-N 2.99Å
193K92.6Very high91.3Very high140 Ų14087.8 Ų87.861%0.60944%0.436SS*.Hα-helixtrans-64.1-42176.2-171.2175.6-174.8174.70112.1K189 R190 I191 Q196 K197K189-K193 WeakPolarHBondContact O-CB 2.97Å; K189-K193 PolarHBondContact O-N 3.09Å; R190-K193 PolarHBondContact O-N 2.94Å; I191-K193 VanDerWaalsContact C-N 3.33Å; I191-K193 PolarHBondContact O-N 3.33Å; K193-Q196 PolarHBondContact O-N 3.44Å; K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 2.99Å
194E91.4Very high91.8Very high97 Ų9789.5 Ų89.545%0.45344%0.438SS..Hα-helixtrans-64.5-44176-74.2173.1-169.800111.5R190 I191 Q196 K197 Q198R190-E194 IonicContact NE-OE1 3.08Å; R190-E194 PolarHBondContact NE-OE1 3.05Å; R190-E194 PolarHBondContact O-N 3.04Å; I191-E194 PolarHBondContact O-N 3.11Å; E194-Q196 PolarHBondContact O-N 2.9Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.38Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.27Å; E194-Q198 VanDerWaalsContact O-N 3.09Å
195R89.1Confident92.1Very high114 Ų11487.4 Ų87.443%0.4342%0.422SS..Hα-helixtrans-57.4-47.4173.4-174.2-174.3-59.8173.27111.7D127 I191 A192 K197 Q198 Y199D127-R195 IonicContact OD2-CZ 2.76Å; D127-R195 IonicContact OD2-NH1 2.97Å; D127-R195 PolarHBondContact OD2-NH1 2.91Å; I191-R195 WeakPolarHBondContact O-CB 3.37Å; I191-R195 PolarHBondContact O-N 3.23Å; A192-R195 PolarHBondContact O-N 3.48Å; R195-K197 VanDerWaalsContact C-N 3.33Å; R195-K197 PolarHBondContact O-N 2.93Å; R195-Q198 PolarHBondContact O-N 3.06Å; R195-Y199 HydrophobicContact CG-CD2 3.84Å; R195-Y199 HydrophobicContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.33Å; R195-Y199 PolarHBondContact O-N 3.48Å
196Q90.4Very high92.2Very high103 Ų10382.7 Ų82.748%0.48140%0.401SS..Hα-helixtrans-61.7-40.9178.2-171.56337.500111.9A192 K193 E194 Q198 Y199 N200A192-Q196 WeakPolarHBondContact O-CB 3.49Å; A192-Q196 PolarHBondContact O-N 2.99Å; K193-Q196 PolarHBondContact O-N 3.44Å; E194-Q196 PolarHBondContact O-N 2.9Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.09Å; Q196-Y199 PolarHBondContact O-N 2.95Å; Q196-N200 PolarHBondContact NE2-OD1 2.97Å; Q196-N200 WeakPolarHBondContact O-CB 3.48Å; Q196-N200 PolarHBondContact O-N 3.43Å; Q196-N200 PolarHBondContact O-OD1 2.9Å
197K92.8Very high92.4Very high128 Ų12882.1 Ų82.156%0.55739%0.39SS*.Hα-helixtrans-59.1-42.6175.5-75175.4179.6-175.70111.7K193 E194 R195 N200 C201K193-K197 WeakPolarHBondContact O-CG 3.27Å; K193-K197 PolarHBondContact O-N 2.99Å; E194-K197 WeakPolarHBondContact O-CB 3.41Å; E194-K197 PolarHBondContact O-N 3.38Å; R195-K197 VanDerWaalsContact C-N 3.33Å; R195-K197 PolarHBondContact O-N 2.93Å; K197-N200 PolarHBondContact O-N 2.97Å; K197-C201 WeakPolarHBondContact O-CB 3.32Å; K197-C201 PolarHBondContact O-N 2.84Å
198Q91.8Very high92.6Very high87 Ų8787.7 Ų87.741%0.40741%0.406SS..Hα-helixtrans-65.5-43178.4-66.5-67.9-0.900111.9L123 E194 R195 Q196 C201 L202L123-Q198 HydrophobicContact CD1-CB 4.22Å; L123-Q198 HydrophobicContact CD2-CB 3.77Å; L123-Q198 HydrophobicContact CG-CB 4.45Å; E194-Q198 WeakPolarHBondContact O-CG 3.44Å; E194-Q198 PolarHBondContact O-N 3.27Å; E194-Q198 VanDerWaalsContact O-N 3.09Å; R195-Q198 PolarHBondContact O-N 3.06Å; Q196-Q198 VanDerWaalsContact C-N 3.31Å; Q196-Q198 PolarHBondContact O-N 3.09Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 3.28Å; Q198-L202 WeakPolarHBondContact O-CB 3.24Å; Q198-L202 PolarHBondContact O-N 3.37Å
199Y91.6Very high92.9Very high14 Ų1485.6 Ų85.66%0.05539%0.393CS..Hα-helixtrans-64.3-39.6174.4-75.4-56.4000113.3L123 L125 L126 F128 R195 Q196 L202 T203L123-Y199 HydrophobicContact CB-CE1 4.47Å; L123-Y199 HydrophobicContact CD1-CD1 4.43Å; L123-Y199 HydrophobicContact CD2-CD1 4.39Å; L123-Y199 HydrophobicContact CD2-CE1 4.11Å; L125-Y199 VanDerWaalsContact C-OH 3.28Å; L125-Y199 VanDerWaalsContact CA-OH 3.25Å; L125-Y199 WeakPolarHBondContact CA-OH 3.41Å; L125-Y199 HydrophobicContact CD2-CE1 3.97Å; L125-Y199 PolarHBondContact N-OH 3.38Å; L126-Y199 PolarHBondContact N-OH 3.03Å; F128-Y199 HydrophobicContact CB-CD1 4.24Å; F128-Y199 HydrophobicContact CB-CE1 3.84Å; F128-Y199 AromaticContact CD2-CD1 3.46Å; F128-Y199 HydrophobicContact CD2-CD1 3.46Å; F128-Y199 VanDerWaalsContact CD2-CD1 3.46Å; F128-Y199 AromaticContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CE1 3.95Å; F128-Y199 HydrophobicContact CD2-CG 4.12Å; F128-Y199 HydrophobicContact CE2-CD1 4.24Å; F128-Y199 HydrophobicContact CG-CD1 4.23Å; F128-Y199 HydrophobicContact CG-CE1 4.27Å; R195-Y199 HydrophobicContact CG-CD2 3.84Å; R195-Y199 HydrophobicContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact CG-CE2 3.48Å; R195-Y199 VanDerWaalsContact O-CD2 3.31Å; R195-Y199 WeakPolarHBondContact O-CD2 3.33Å; R195-Y199 PolarHBondContact O-N 3.48Å; Q196-Y199 PolarHBondContact O-N 2.95Å; Y199-L202 PolarHBondContact O-N 2.91Å; Y199-T203 WeakPolarHBondContact O-CB 3.36Å; Y199-T203 PolarHBondContact O-N 2.67Å; Y199-T203 PolarHBondContact O-OG1 3.18Å
200N92.1Very high93Very high75 Ų7585.1 Ų85.140%0.40139%0.391SS..Hα-helixtrans-62.8-44.2174.7-69.2-6.6000110.8Q196 K197 L202 T203 Q204Q196-N200 PolarHBondContact NE2-OD1 2.97Å; Q196-N200 WeakPolarHBondContact O-CB 3.48Å; Q196-N200 PolarHBondContact O-N 3.43Å; Q196-N200 PolarHBondContact O-OD1 2.9Å; K197-N200 PolarHBondContact O-N 2.97Å; N200-L202 PolarHBondContact O-N 2.9Å; N200-T203 PolarHBondContact O-N 3.41Å; N200-Q204 WeakPolarHBondContact O-CB 3.39Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.41Å; N200-Q204 PolarHBondContact O-N 3.19Å
201C93.3Very high93.1Very high38 Ų3883.2 Ų83.226%0.25739%0.388SS..Hα-helixtrans-59.1-46.6174.8-178.50000111.5K197 Q198 T203 Q204 R205K197-C201 WeakPolarHBondContact O-CB 3.32Å; K197-C201 PolarHBondContact O-N 2.84Å; Q198-C201 WeakPolarHBondContact O-CB 3.33Å; Q198-C201 PolarHBondContact O-N 3.28Å; C201-T203 PolarHBondContact O-N 3.5Å; C201-Q204 PolarHBondContact O-N 3.33Å; C201-R205 VanDerWaalsContact O-CG 3.32Å; C201-R205 WeakPolarHBondContact O-CG 3.43Å; C201-R205 PolarHBondContact O-N 3.12Å
202L92.8Very high93.4Very high2 Ų281.1 Ų81.11%0.0138%0.377CS..Hα-helixtrans-60.1-45.3177178.763.2000111.6I116 L119 K120 L123 L125 Q198 Y199 N200 R205 I206I116-L202 HydrophobicContact CG2-CD1 4.01Å; L119-L202 HydrophobicContact CB-CD1 4.11Å; K120-L202 HydrophobicContact CG-CD1 3.95Å; K120-L202 HydrophobicContact CG-CD2 4.19Å; L123-L202 HydrophobicContact CD1-CB 4.23Å; L123-L202 HydrophobicContact CD1-CD2 3.95Å; L125-L202 HydrophobicContact CD2-CD2 3.73Å; Q198-L202 WeakPolarHBondContact O-CB 3.24Å; Q198-L202 PolarHBondContact O-N 3.37Å; Y199-L202 PolarHBondContact O-N 2.91Å; N200-L202 PolarHBondContact O-N 2.9Å; L202-R205 PolarHBondContact O-N 3.23Å; L202-I206 HydrophobicContact CD1-CD1 4.14Å; L202-I206 HydrophobicContact CD1-CG1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.98Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.09Å
203T92.8Very high93.8Very high47 Ų4782.5 Ų82.529%0.28837%0.373SS..Hα-helixtrans-61-48.9179.1-54.50000111.2Y199 N200 C201 R205 I206 E207Y199-T203 WeakPolarHBondContact O-CB 3.36Å; Y199-T203 PolarHBondContact O-N 2.67Å; Y199-T203 PolarHBondContact O-OG1 3.18Å; N200-T203 PolarHBondContact O-N 3.41Å; C201-T203 PolarHBondContact O-N 3.5Å; T203-R205 VanDerWaalsContact C-N 3.29Å; T203-R205 PolarHBondContact O-N 2.82Å; T203-I206 PolarHBondContact O-N 2.97Å; T203-E207 WeakPolarHBondContact O-CG 3.32Å; T203-E207 PolarHBondContact O-N 2.88Å
204Q95.3Very high94Very high131 Ų13177 Ų7761%0.61235%0.351SS*.Hα-helixtrans-60-38.2176.8-72174.32.100112.4N200 C201 E207 R208N200-Q204 WeakPolarHBondContact O-CB 3.39Å; N200-Q204 VanDerWaalsContact O-CG 3.29Å; N200-Q204 WeakPolarHBondContact O-CG 3.41Å; N200-Q204 PolarHBondContact O-N 3.19Å; C201-Q204 PolarHBondContact O-N 3.33Å; Q204-E207 PolarHBondContact O-N 3.16Å; Q204-R208 VanDerWaalsContact O-CB 3.31Å; Q204-R208 WeakPolarHBondContact O-CB 3.5Å; Q204-R208 PolarHBondContact O-N 2.94Å
205R95.3Very high94.2Very high63 Ų6375.9 Ų75.924%0.23835%0.348CS..Hα-helixtrans-67.7-42.8176.4-74.2179.3-179.3-763.8112.2E112 I116 L119 C201 L202 T203 E207 R208 E209E112-R205 IonicContact OE1-NH1 2.68Å; E112-R205 PolarHBondContact OE1-NH1 3.44Å; E112-R205 IonicContact OE2-CZ 3.03Å; E112-R205 IonicContact OE2-NH1 3.73Å; E112-R205 PolarHBondContact OE2-NH1 3.14Å; I116-R205 HydrophobicContact CD1-CB 4.21Å; I116-R205 HydrophobicContact CG1-CB 3.7Å; L119-R205 VanDerWaalsContact CD1-CD 3.42Å; C201-R205 VanDerWaalsContact O-CG 3.32Å; C201-R205 WeakPolarHBondContact O-CG 3.43Å; C201-R205 PolarHBondContact O-N 3.12Å; L202-R205 PolarHBondContact O-N 3.23Å; T203-R205 VanDerWaalsContact C-N 3.29Å; T203-R205 PolarHBondContact O-N 2.82Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.24Å; R205-R208 WeakPolarHBondContact O-CB 3.32Å; R205-R208 PolarHBondContact O-N 3.05Å; R205-E209 WeakPolarHBondContact O-CB 3.36Å; R205-E209 PolarHBondContact O-N 3.17Å
206I94.3Very high94.6Very high41 Ų4170.7 Ų70.721%0.2133%0.329CS..Hα-helixtrans-59.7-44.5174.9-69.5166.6000110.3I116 L202 T203 R208 E209 K210I116-I206 HydrophobicContact CD1-CG1 4.26Å; I116-I206 HydrophobicContact CG1-CG1 4.47Å; I116-I206 HydrophobicContact CG2-CG1 4.13Å; L202-I206 HydrophobicContact CD1-CD1 4.14Å; L202-I206 HydrophobicContact CD1-CG1 4.4Å; L202-I206 HydrophobicContact CG-CD1 3.98Å; L202-I206 WeakPolarHBondContact O-CG1 3.4Å; L202-I206 PolarHBondContact O-N 3.09Å; T203-I206 PolarHBondContact O-N 2.97Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.17Å; I206-E209 PolarHBondContact O-N 3.45Å; I206-K210 HydrophobicContact CG2-CD 4.43Å; I206-K210 WeakPolarHBondContact O-CG 3.36Å; I206-K210 PolarHBondContact O-N 3.2Å
207E95.1Very high94.8Very high98 Ų9869.1 Ų69.146%0.45832%0.322SS..Hα-helixtrans-63.4-40.4175-71.6177.6-17300112.6T203 Q204 R205 K210 K211T203-E207 WeakPolarHBondContact O-CG 3.32Å; T203-E207 PolarHBondContact O-N 2.88Å; Q204-E207 PolarHBondContact O-N 3.16Å; R205-E207 VanDerWaalsContact C-N 3.31Å; R205-E207 PolarHBondContact O-N 3.24Å; E207-K210 PolarHBondContact O-N 3.27Å; E207-K211 WeakPolarHBondContact O-CG 3.27Å; E207-K211 PolarHBondContact O-N 3.29Å
208R96.6Very high95Very high136 Ų13664.6 Ų64.651%0.51330%0.302SS..Hα-helixtrans-62.9-44.1176.5-175.7-179.5-176.4167.94.9111.5Q204 R205 I206 K211 L212Q204-R208 VanDerWaalsContact O-CB 3.31Å; Q204-R208 WeakPolarHBondContact O-CB 3.5Å; Q204-R208 PolarHBondContact O-N 2.94Å; R205-R208 WeakPolarHBondContact O-CB 3.32Å; R205-R208 PolarHBondContact O-N 3.05Å; I206-R208 VanDerWaalsContact C-N 3.35Å; I206-R208 PolarHBondContact O-N 3.17Å; R208-K211 PolarHBondContact O-N 2.91Å; R208-L212 HydrophobicContact CG-CD1 4.32Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 2.89Å
209E96.3Very high95.2Very high46 Ų4661.6 Ų61.622%0.21529%0.289CS..Hα-helixtrans-59.3-47.7175.9-171.7-72.5146.400110.5R109 I116 R205 I206 K211 L212 F213R109-E209 HydrophobicContact CG-CG 4.17Å; I116-E209 HydrophobicContact CD1-CB 3.69Å; I116-E209 HydrophobicContact CD1-CG 4.12Å; R205-E209 WeakPolarHBondContact O-CB 3.36Å; R205-E209 PolarHBondContact O-N 3.17Å; I206-E209 PolarHBondContact O-N 3.45Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.49Å; E209-L212 PolarHBondContact O-N 3.32Å; E209-L212 VanDerWaalsContact O-N 3.14Å; E209-F213 WeakPolarHBondContact O-CB 3.48Å; E209-F213 PolarHBondContact O-N 3.43Å
210K95.8Very high95.4Very high127 Ų12764 Ų6455%0.55230%0.3SS*.Hα-helixtrans-56.7-44.1174.8-71.3174.8-179.1-178.80112.3I206 E207 F213 V214I206-K210 HydrophobicContact CG2-CD 4.43Å; I206-K210 WeakPolarHBondContact O-CG 3.36Å; I206-K210 PolarHBondContact O-N 3.2Å; E207-K210 PolarHBondContact O-N 3.27Å; K210-F213 WeakPolarHBondContact O-CB 3.31Å; K210-F213 PolarHBondContact O-N 3.31Å; K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.9Å
211K96.4Very high95.4Very high136 Ų13662 Ų6259%0.59129%0.291SS*.Hα-helixtrans-62.4-46.6176.4-72.9173.2-175.7174.50111.3E207 R208 E209 F213 V214 I215E207-K211 WeakPolarHBondContact O-CG 3.27Å; E207-K211 PolarHBondContact O-N 3.29Å; R208-K211 PolarHBondContact O-N 2.91Å; E209-K211 VanDerWaalsContact C-N 3.33Å; E209-K211 PolarHBondContact O-N 3.49Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.39Å; K211-V214 PolarHBondContact O-N 3.21Å; K211-I215 VanDerWaalsContact O-CG1 3.23Å; K211-I215 WeakPolarHBondContact O-CG1 3.47Å; K211-I215 PolarHBondContact O-N 3.19Å
212L97Very high95.4Very high26 Ų2665.6 Ų65.614%0.13630%0.299CS..Hα-helixtrans-61.4-38.9176.9-69.6173.1000111.6I105 K108 R109 E112 R208 E209 I215 A216I105-L212 HydrophobicContact CG2-CB 4.4Å; I105-L212 HydrophobicContact CG2-CD2 4.23Å; K108-L212 HydrophobicContact CB-CD1 4.31Å; R109-L212 HydrophobicContact CB-CB 4.3Å; R109-L212 HydrophobicContact CG-CB 4.43Å; E112-L212 HydrophobicContact CG-CD1 4.19Å; R208-L212 HydrophobicContact CG-CD1 4.32Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 2.89Å; E209-L212 PolarHBondContact O-N 3.32Å; E209-L212 VanDerWaalsContact O-N 3.14Å; L212-I215 PolarHBondContact O-N 3.4Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.96Å
213F96.7Very high95.4Very high84 Ų8467.5 Ų67.537%0.36831%0.307SS..Hα-helixtrans-60.6-48.3175.8-179.9-100.7000111.9E209 K210 K211 I215 A216 Q217E209-F213 WeakPolarHBondContact O-CB 3.48Å; E209-F213 PolarHBondContact O-N 3.43Å; K210-F213 WeakPolarHBondContact O-CB 3.31Å; K210-F213 PolarHBondContact O-N 3.31Å; K211-F213 VanDerWaalsContact C-N 3.29Å; K211-F213 PolarHBondContact O-N 3.39Å; F213-I215 PolarHBondContact O-N 3.4Å; F213-A216 PolarHBondContact O-N 2.89Å; F213-Q217 HydrophobicContact CE1-CG 4.38Å; F213-Q217 HydrophobicContact CZ-CG 4.46Å; F213-Q217 WeakPolarHBondContact O-CG 3.37Å; F213-Q217 PolarHBondContact O-N 3.41Å
214V96.9Very high95.4Very high23 Ų2368.2 Ų68.214%0.13931%0.31CS..Hα-helixtrans-63.5-42.4177.3174.20000111.6K210 K211 Q217 K218 N240K210-V214 WeakPolarHBondContact O-CG2 3.35Å; K210-V214 PolarHBondContact O-N 2.9Å; K211-V214 PolarHBondContact O-N 3.21Å; V214-Q217 PolarHBondContact O-N 2.86Å; V214-K218 HydrophobicContact CG1-CD 4.08Å; V214-K218 HydrophobicContact CG1-CG 4.5Å; V214-K218 VanDerWaalsContact O-CG 3.31Å; V214-K218 WeakPolarHBondContact O-CG 3.37Å; V214-K218 PolarHBondContact O-N 3.46Å; V214-N240 WeakPolarHBondContact CG2-O 3.39Å
215I96.7Very high95.2Very high75 Ų7563.9 Ų63.939%0.38529%0.29SS..Hα-helixtrans-62.5-46.4177.3-64.2165.4000110.2I105 K211 L212 F213 Q217 K218 I219I105-I215 HydrophobicContact CD1-CG2 3.64Å; K211-I215 VanDerWaalsContact O-CG1 3.23Å; K211-I215 WeakPolarHBondContact O-CG1 3.47Å; K211-I215 PolarHBondContact O-N 3.19Å; L212-I215 PolarHBondContact O-N 3.4Å; F213-I215 PolarHBondContact O-N 3.4Å; I215-Q217 VanDerWaalsContact C-N 3.33Å; I215-Q217 PolarHBondContact O-N 2.96Å; I215-K218 PolarHBondContact O-N 3.3Å; I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.4Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.4Å
216A96.4Very high94.9Very high5 Ų563.3 Ų63.34%0.04129%0.291CS..Hα-helixtrans-56.2-4817700000111.1I105 L212 F213 K218 I219 Q220I105-A216 HydrophobicContact CG2-CB 3.9Å; L212-A216 WeakPolarHBondContact O-CB 3.46Å; L212-A216 PolarHBondContact O-N 2.96Å; F213-A216 PolarHBondContact O-N 2.89Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.95Å; A216-I219 PolarHBondContact O-N 2.97Å; A216-Q220 VanDerWaalsContact O-CB 3.25Å; A216-Q220 WeakPolarHBondContact O-CB 3.41Å; A216-Q220 PolarHBondContact O-N 2.87Å
217Q96.1Very high94.6Very high69 Ų6963.5 Ų63.532%0.32229%0.292SS..Hα-helixtrans-60.8-40.7177.2-73-171.8-13.500113F213 V214 I215 T221 P242F213-Q217 HydrophobicContact CE1-CG 4.38Å; F213-Q217 HydrophobicContact CZ-CG 4.46Å; F213-Q217 WeakPolarHBondContact O-CG 3.37Å; F213-Q217 PolarHBondContact O-N 3.41Å; V214-Q217 PolarHBondContact O-N 2.86Å; I215-Q217 VanDerWaalsContact C-N 3.33Å; I215-Q217 PolarHBondContact O-N 2.96Å; Q217-T221 WeakPolarHBondContact O-CB 3.49Å; Q217-T221 PolarHBondContact O-N 3.1Å; Q217-T221 PolarHBondContact O-OG1 3.48Å; Q217-P242 HydrophobicContact CB-CB 4.39Å; Q217-P242 HydrophobicContact CB-CG 3.98Å; Q217-P242 VanDerWaalsContact OE1-CD 3.31Å
218K96.1Very high94.1Very high34 Ų3469.3 Ų69.315%0.14832%0.316CS..Hα-helixtrans-64-45.7178.1-75.7173.5172.8-146.20112V214 I215 A216 T221 R222 E237 T238 P242V214-K218 HydrophobicContact CG1-CD 4.08Å; V214-K218 HydrophobicContact CG1-CG 4.5Å; V214-K218 VanDerWaalsContact O-CG 3.31Å; V214-K218 WeakPolarHBondContact O-CG 3.37Å; V214-K218 PolarHBondContact O-N 3.46Å; I215-K218 PolarHBondContact O-N 3.3Å; A216-K218 VanDerWaalsContact C-N 3.35Å; A216-K218 PolarHBondContact O-N 2.95Å; K218-T221 PolarHBondContact O-N 3.44Å; K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.07Å; K218-E237 VanDerWaalsContact CD-OE1 3.23Å; K218-E237 WeakPolarHBondContact CD-OE1 2.88Å; K218-E237 WeakPolarHBondContact CE-OE1 3.41Å; K218-E237 IonicContact NZ-OE1 2.67Å; K218-E237 PolarHBondContact NZ-OE1 2.91Å; K218-T238 VanDerWaalsContact CE-O 3.28Å; K218-T238 WeakPolarHBondContact CE-O 3.49Å; K218-T238 PolarHBondContact NZ-O 3.47Å; K218-P242 HydrophobicContact CG-CB 4.04Å
219I95.8Very high93.6Very high24 Ų2465.1 Ų65.112%0.12331%0.305CS..Hα-helixtrans-68.9-41.8179.7-59.3169.9000110.1R98 D101 V102 I105 I215 A216 T221 R222 K223R98-I219 HydrophobicContact CB-CG2 4.24Å; R98-I219 HydrophobicContact CG-CG2 4.42Å; D101-I219 HydrophobicContact CB-CD1 4.34Å; D101-I219 HydrophobicContact CB-CG2 4.39Å; V102-I219 HydrophobicContact CG2-CB 3.83Å; V102-I219 HydrophobicContact CG2-CG2 3.44Å; V102-I219 VanDerWaalsContact CG2-CG2 3.44Å; I105-I219 HydrophobicContact CD1-CD1 3.2Å; I215-I219 HydrophobicContact CG2-CD1 3.82Å; I215-I219 HydrophobicContact CG2-CG1 4.4Å; I215-I219 WeakPolarHBondContact O-CG1 3.48Å; I215-I219 PolarHBondContact O-N 3.4Å; A216-I219 PolarHBondContact O-N 2.97Å; I219-T221 VanDerWaalsContact C-N 3.35Å; I219-T221 PolarHBondContact O-N 3.48Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.17Å; I219-K223 PolarHBondContact O-N 2.84Å
220Q94.9Very high93.3Very high63 Ų6369.3 Ų69.329%0.29433%0.325SS..Hα-helixtrans-58.5-47.3174.7-176.156.137.100111.1A216 R222 K223 D224A216-Q220 VanDerWaalsContact O-CB 3.25Å; A216-Q220 WeakPolarHBondContact O-CB 3.41Å; A216-Q220 PolarHBondContact O-N 2.87Å; Q220-R222 VanDerWaalsContact C-N 3.34Å; Q220-R222 PolarHBondContact O-N 3.29Å; Q220-K223 WeakPolarHBondContact O-CB 3.29Å; Q220-K223 PolarHBondContact O-N 3.27Å; Q220-K223 VanDerWaalsContact O-N 3.1Å; Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 3.46Å; Q220-D224 PolarHBondContact NE2-OD2 3.38Å; Q220-D224 VanDerWaalsContact NE2-OD2 3.13Å; Q220-D224 VanDerWaalsContact O-CG 3.24Å; Q220-D224 PolarHBondContact O-N 3.04Å
221T93.9Very high93.2Very high34 Ų3466.5 Ų66.521%0.20931%0.313CS..Hα-helixtrans-57.3-47.6174.8-55.10000110.6Q217 K218 I219 K223 D224 L225 Y245Q217-T221 WeakPolarHBondContact O-CB 3.49Å; Q217-T221 PolarHBondContact O-N 3.1Å; Q217-T221 PolarHBondContact O-OG1 3.48Å; K218-T221 PolarHBondContact O-N 3.44Å; I219-T221 VanDerWaalsContact C-N 3.35Å; I219-T221 PolarHBondContact O-N 3.48Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.38Å; T221-D224 PolarHBondContact O-N 3.27Å; T221-L225 HydrophobicContact CG2-CD1 4.23Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.21Å; T221-Y245 HydrophobicContact CG2-CD2 3.98Å; T221-Y245 HydrophobicContact CG2-CE2 3.92Å
222R92.8Very high93.1Very high114 Ų11464.9 Ų64.943%0.4331%0.314SS..Hα-helixtrans-60.6-37177.7-72.2172.3-173.4172.34112.5R98 K218 I219 Q220 M226 E237R98-R222 PolarHBondContact NH1-O 3.33Å; K218-R222 WeakPolarHBondContact O-CG 3.37Å; K218-R222 PolarHBondContact O-N 3.07Å; I219-R222 PolarHBondContact O-N 3.04Å; I219-R222 VanDerWaalsContact O-N 3.17Å; Q220-R222 VanDerWaalsContact C-N 3.34Å; Q220-R222 PolarHBondContact O-N 3.29Å; R222-M226 WeakPolarHBondContact O-CG 3.37Å; R222-E237 IonicContact NH2-OE1 3.57Å; R222-E237 PolarHBondContact NH2-OE1 2.95Å; R222-E237 IonicContact NH2-OE2 2.73Å; R222-E237 PolarHBondContact NH2-OE2 3.14Å
223K93.1Very high93Very high42 Ų4269 Ų6918%0.18333%0.331CS..Hα-helixtrans-65-47.7174.1176.6-177.8165175.40111.1K95 R98 T99 I219 Q220 T221 L225 M226K95-K223 HydrophobicContact CG-CG 4.49Å; R98-K223 HydrophobicContact CB-CB 4.39Å; T99-K223 VanDerWaalsContact OG1-CE 3.27Å; T99-K223 WeakPolarHBondContact OG1-CE 3.27Å; T99-K223 PolarHBondContact OG1-NZ 3.09Å; I219-K223 PolarHBondContact O-N 2.84Å; Q220-K223 WeakPolarHBondContact O-CB 3.29Å; Q220-K223 PolarHBondContact O-N 3.27Å; Q220-K223 VanDerWaalsContact O-N 3.1Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 3.38Å; K223-L225 PolarHBondContact O-N 3.31Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.49Å; K223-M226 PolarHBondContact O-N 2.92Å
224D91.5Very high93Very high62 Ų6269.3 Ų69.333%0.33234%0.339SS..Hα-helixtrans-65-30.7179.5-61.2-27.3000112Q220 T221 M226 D227Q220-D224 VanDerWaalsContact NE2-CG 3.34Å; Q220-D224 PolarHBondContact NE2-OD1 3.46Å; Q220-D224 PolarHBondContact NE2-OD2 3.38Å; Q220-D224 VanDerWaalsContact NE2-OD2 3.13Å; Q220-D224 VanDerWaalsContact O-CG 3.24Å; Q220-D224 PolarHBondContact O-N 3.04Å; T221-D224 PolarHBondContact O-N 3.27Å; D224-M226 PolarHBondContact O-N 3.18Å; D224-D227 PolarHBondContact O-N 2.96Å
225L92.4Very high92.9Very high40 Ų4074.4 Ų74.421%0.20936%0.36CS..THydrogen-bonded Turntrans-68.7-12.3172.7-67.5174.1000113.9T221 K223 D227 K231 Y245T221-L225 HydrophobicContact CG2-CD1 4.23Å; T221-L225 HydrophobicContact CG2-CG 4.38Å; T221-L225 WeakPolarHBondContact O-CG 3.32Å; T221-L225 PolarHBondContact O-N 3.21Å; K223-L225 PolarHBondContact O-N 3.31Å; L225-D227 VanDerWaalsContact C-N 3.3Å; L225-K231 HydrophobicContact CD2-CD 3.62Å; L225-K231 HydrophobicContact CD2-CG 4.38Å; L225-K231 PolarHBondContact O-NZ 2.95Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CE1 4.21Å; L225-Y245 HydrophobicContact CD1-CE2 3.53Å; L225-Y245 VanDerWaalsContact CD1-CZ 3.47Å; L225-Y245 WeakPolarHBondContact CD1-OH 3.44Å; L225-Y245 HydrophobicContact CD2-CD1 3.75Å; L225-Y245 HydrophobicContact CD2-CD2 3.82Å; L225-Y245 HydrophobicContact CD2-CE1 3.76Å; L225-Y245 HydrophobicContact CD2-CE2 3.83Å; L225-Y245 HydrophobicContact CD2-CG 3.77Å; L225-Y245 HydrophobicContact CG-CD2 4.46Å; L225-Y245 HydrophobicContact CG-CE2 4.16Å
226M89.3Confident92.9Very high50 Ų5079.2 Ų79.225%0.24638%0.378CS..THydrogen-bonded Turntrans-78.7-18.3174.3-59.2179.773.100112.3P91 L94 K95 R98 R222 K223 D224P91-M226 WeakPolarHBondContact O-CE 3.29Å; L94-M226 HydrophobicContact CB-CE 3.65Å; K95-M226 HydrophobicContact CB-CE 3.98Å; K95-M226 HydrophobicContact CB-SD 4.03Å; K95-M226 HydrophobicContact CG-SD 4.48Å; R98-M226 PolarHBondContact NH1-SD 3.48Å; R222-M226 WeakPolarHBondContact O-CG 3.37Å; K223-M226 VanDerWaalsContact O-CB 3.28Å; K223-M226 WeakPolarHBondContact O-CB 3.49Å; K223-M226 PolarHBondContact O-N 2.92Å; D224-M226 PolarHBondContact O-N 3.18Å
227D86.7Confident92.7Very high45 Ų4582.9 Ų82.924%0.24139%0.394CS..SBendtrans-69.4142175.6-70.4-6.8000110.4K95 D224 L225 T229 K231 K252K95-D227 IonicContact NZ-OD1 3.69Å; K95-D227 PolarHBondContact NZ-OD1 2.91Å; D224-D227 PolarHBondContact O-N 2.96Å; L225-D227 VanDerWaalsContact C-N 3.3Å; D227-T229 PolarHBondContact O-N 3.36Å; D227-K231 PolarHBondContact O-NZ 3.38Å; D227-K252 IonicContact OD2-NZ 3.36Å
228K84.5Confident92.7Very high221 Ų22183 Ų8396%0.96140%0.4SS*.SBendtrans-75.347.8-178.3-62.7-178.6-179.6177.80112.5
229T87.3Confident92.5Very high47 Ų4787.4 Ų87.429%0.28843%0.429SS..  trans-102142176.552.20000110.7D227 K231 F247D227-T229 PolarHBondContact O-N 3.36Å; T229-K231 PolarHBondContact O-N 3.22Å; T229-F247 WeakPolarHBondContact OG1-CD1 3.38Å; T229-F247 WeakPolarHBondContact OG1-CE1 2.75Å
230Q89.8Confident92.4Very high135 Ų13592.6 Ų92.663%0.63146%0.457SS*.  trans-65.7131.2171-83-172-5.400110.1Q248Q230-Q248 HydrophobicContact CB-CB 4.08Å; Q230-Q248 PolarHBondContact O-N 3.46Å
231K93.1Very high92.3Very high68 Ų6891.7 Ų91.730%0.29646%0.458SS..EExtended strand (participates in β ladder)trans-152145.2-175.661.4-146.8175.8-1430111.6L225 D227 T229 K246 F247L225-K231 HydrophobicContact CD2-CD 3.62Å; L225-K231 HydrophobicContact CD2-CG 4.38Å; L225-K231 PolarHBondContact O-NZ 2.95Å; D227-K231 PolarHBondContact O-NZ 3.38Å; T229-K231 PolarHBondContact O-N 3.22Å; K231-K246 WeakPolarHBondContact CA-O 3.47Å; K231-F247 HydrophobicContact CB-CD1 3.83Å; K231-F247 HydrophobicContact CB-CE1 3.99Å; K231-F247 HydrophobicContact CB-CG 4.41Å; K231-F247 HydrophobicContact CD-CD1 4.31Å; K231-F247 HydrophobicContact CD-CE1 3.72Å; K231-F247 HydrophobicContact CD-CZ 4.4Å
232V94.4Very high92.4Very high102 Ų10291 Ų9162%0.61845%0.454SS*.EExtended strand (participates in β ladder)trans-120.1130.1176.3-1780000108.5V234 Y245 K246V232-V234 PolarHBondContact O-N 2.98Å; V232-Y245 CarbonylContact O-C 3.6Å; V232-Y245 WeakPolarHBondContact O-CA 3.34Å; V232-K246 PolarHBondContact N-O 3.35Å; V232-K246 PolarHBondContact O-N 3.35Å
233K95.8Very high92.5Very high113 Ų11386 Ų8649%0.49144%0.437SS..EExtended strand (participates in β ladder)trans-73121174.5-178.4177.7-79.6174.40108.9Y245K233-Y245 HydrophobicContact CB-CD1 3.85Å; K233-Y245 HydrophobicContact CB-CE1 3.65Å; K233-Y245 HydrophobicContact CD-CE1 4.43Å; K233-Y245 WeakPolarHBondContact CE-OH 3.43Å; K233-Y245 HydrophobicContact CG-CD1 4.4Å; K233-Y245 HydrophobicContact CG-CE1 4.02Å; K233-Y245 PolarHBondContact NZ-OH 3.21Å
234V95.8Very high92.6Very high89 Ų8988 Ų8854%0.53945%0.449SS..EExtended strand (participates in β ladder)trans-96.2-44.5179.2-176.40000110.8V232 I244 K246V232-V234 PolarHBondContact O-N 2.98Å; V234-I244 PolarHBondContact N-O 3.36Å; V234-K246 HydrophobicContact CG2-CB 3.69Å
235K95.5Very high92.8Very high131 Ų13187.7 Ų87.757%0.5744%0.443SS*.EExtended strand (participates in β ladder)trans-129141.2177.6-61.7-168.5-176.8177.10111A243 I244K235-A243 WeakPolarHBondContact O-CA 3.21Å; K235-I244 HydrophobicContact CB-CB 4.13Å; K235-I244 HydrophobicContact CB-CG1 4.32Å; K235-I244 HydrophobicContact CD-CD1 4.12Å; K235-I244 PolarHBondContact N-O 2.96Å; K235-I244 PolarHBondContact O-N 3.41Å; K235-I244 VanDerWaalsContact O-N 3.11Å
236K94.9Very high92.9Very high176 Ų17693.1 Ų93.177%0.76547%0.465SS*.  trans-71.3157.7176.4-66.6-177.4-179.3177.40110.8
237E94Very high93.1Very high82 Ų8295.2 Ų95.238%0.38347%0.473SS..  trans-67.8138175.7-169.4179.8154.600109.4K218 R222 A243K218-E237 VanDerWaalsContact CD-OE1 3.23Å; K218-E237 WeakPolarHBondContact CD-OE1 2.88Å; K218-E237 WeakPolarHBondContact CE-OE1 3.41Å; K218-E237 IonicContact NZ-OE1 2.67Å; K218-E237 PolarHBondContact NZ-OE1 2.91Å; R222-E237 IonicContact NH2-OE1 3.57Å; R222-E237 PolarHBondContact NH2-OE1 2.95Å; R222-E237 IonicContact NH2-OE2 2.73Å; R222-E237 PolarHBondContact NH2-OE2 3.14Å; E237-A243 HydrophobicContact CB-CB 4Å
238T94.8Very high93.3Very high72 Ų7298 Ų9844%0.44249%0.485SS..  trans-118.1176.3172.973.30000109.8K218 N240 S241K218-T238 VanDerWaalsContact CE-O 3.28Å; K218-T238 WeakPolarHBondContact CE-O 3.49Å; K218-T238 PolarHBondContact NZ-O 3.47Å; T238-N240 VanDerWaalsContact C-N 3.25Å; T238-N240 PolarHBondContact O-N 2.86Å; T238-N240 PolarHBondContact OG1-N 3.03Å; T238-S241 PolarHBondContact N-O 3.31Å; T238-S241 VanDerWaalsContact N-O 3.09Å; T238-S241 VanDerWaalsContact O-O 3.04Å; T238-S241 PolarHBondContact OG1-N 3.21Å; T238-S241 PolarHBondContact OG1-OG 2.69Å
239V92.8Very high93.6Very high126 Ų12693.8 Ų93.876%0.76448%0.483SS*.SBendtrans-60.4-40.4174.7-1800000110.8
240N93.3Very high93.6Very high132 Ų132100.4 Ų100.471%0.70650%0.503SS*.SBendtrans-97.6-8.8-170.6-62.6-26.8000114.2V214 T238V214-N240 WeakPolarHBondContact CG2-O 3.39Å; T238-N240 VanDerWaalsContact C-N 3.25Å; T238-N240 PolarHBondContact O-N 2.86Å; T238-N240 PolarHBondContact OG1-N 3.03Å
241S93.4Very high93.5Very high45 Ų45104.7 Ų104.732%0.31551%0.513SS..SBendtrans-141.9147.4-177.274.10000112.3T238T238-S241 PolarHBondContact N-O 3.31Å; T238-S241 VanDerWaalsContact N-O 3.09Å; T238-S241 VanDerWaalsContact O-O 3.04Å; T238-S241 PolarHBondContact OG1-N 3.21Å; T238-S241 PolarHBondContact OG1-OG 2.69Å
242P95Very high93.1Very high19 Ų19108.7 Ų108.712%0.12353%0.53CS..PPolyproline II helixtrans-64.6162.5167.832.7-38.9000111.1Q217 K218Q217-P242 HydrophobicContact CB-CB 4.39Å; Q217-P242 HydrophobicContact CB-CG 3.98Å; Q217-P242 VanDerWaalsContact OE1-CD 3.31Å; K218-P242 HydrophobicContact CG-CB 4.04Å
243A95.1Very high92.4Very high8 Ų8118.1 Ų118.17%0.06656%0.555CS.*PPolyproline II helixtrans-66.8141.1167.400000110.2K235 E237 Y245K235-A243 WeakPolarHBondContact O-CA 3.21Å; E237-A243 HydrophobicContact CB-CB 4Å; A243-Y245 HydrophobicContact CB-CD2 4.32Å; A243-Y245 HydrophobicContact CB-CE2 3.52Å
244I95.6Very high92.3Very high86 Ų86118.4 Ų118.444%0.44156%0.558SS.*EExtended strand (participates in β ladder)trans-100.2128.6179.7-55-176.4000109V234 K235V234-I244 PolarHBondContact N-O 3.36Å; K235-I244 HydrophobicContact CB-CB 4.13Å; K235-I244 HydrophobicContact CB-CG1 4.32Å; K235-I244 HydrophobicContact CD-CD1 4.12Å; K235-I244 PolarHBondContact N-O 2.96Å; K235-I244 PolarHBondContact O-N 3.41Å; K235-I244 VanDerWaalsContact O-N 3.11Å
245Y94.9Very high92.1Very high54 Ų54119.9 Ų119.921%0.21256%0.559CS.*EExtended strand (participates in β ladder)trans-119.9139.9177.9-64.2-97.8000110.1T221 L225 V232 K233 A243T221-Y245 HydrophobicContact CG2-CD2 3.98Å; T221-Y245 HydrophobicContact CG2-CE2 3.92Å; L225-Y245 HydrophobicContact CD1-CD2 4.29Å; L225-Y245 HydrophobicContact CD1-CE1 4.21Å; L225-Y245 HydrophobicContact CD1-CE2 3.53Å; L225-Y245 VanDerWaalsContact CD1-CZ 3.47Å; L225-Y245 WeakPolarHBondContact CD1-OH 3.44Å; L225-Y245 HydrophobicContact CD2-CD1 3.75Å; L225-Y245 HydrophobicContact CD2-CD2 3.82Å; L225-Y245 HydrophobicContact CD2-CE1 3.76Å; L225-Y245 HydrophobicContact CD2-CE2 3.83Å; L225-Y245 HydrophobicContact CD2-CG 3.77Å; L225-Y245 HydrophobicContact CG-CD2 4.46Å; L225-Y245 HydrophobicContact CG-CE2 4.16Å; V232-Y245 CarbonylContact O-C 3.6Å; V232-Y245 WeakPolarHBondContact O-CA 3.34Å; K233-Y245 HydrophobicContact CB-CD1 3.85Å; K233-Y245 HydrophobicContact CB-CE1 3.65Å; K233-Y245 HydrophobicContact CD-CE1 4.43Å; K233-Y245 WeakPolarHBondContact CE-OH 3.43Å; K233-Y245 HydrophobicContact CG-CD1 4.4Å; K233-Y245 HydrophobicContact CG-CE1 4.02Å; K233-Y245 PolarHBondContact NZ-OH 3.21Å; A243-Y245 HydrophobicContact CB-CD2 4.32Å; A243-Y245 HydrophobicContact CB-CE2 3.52Å
246K94.5Very high91.9Very high155 Ų155119.3 Ų119.367%0.67456%0.559SS**EExtended strand (participates in β ladder)trans-96.6114.8168.7-174.4178.1-178.4-179.70107.7K231 V232 V234K231-K246 WeakPolarHBondContact CA-O 3.47Å; V232-K246 PolarHBondContact N-O 3.35Å; V232-K246 PolarHBondContact O-N 3.35Å; V234-K246 HydrophobicContact CG2-CB 3.69Å
247F93.1Very high91.7Very high93 Ų93115.9 Ų115.941%0.40855%0.546SS..EExtended strand (participates in β ladder)trans-82.5150.1173.2-68-90.7000110T229 K231 S249T229-F247 WeakPolarHBondContact OG1-CD1 3.38Å; T229-F247 WeakPolarHBondContact OG1-CE1 2.75Å; K231-F247 HydrophobicContact CB-CD1 3.83Å; K231-F247 HydrophobicContact CB-CE1 3.99Å; K231-F247 HydrophobicContact CB-CG 4.41Å; K231-F247 HydrophobicContact CD-CD1 4.31Å; K231-F247 HydrophobicContact CD-CE1 3.72Å; K231-F247 HydrophobicContact CD-CZ 4.4Å; F247-S249 PolarHBondContact O-N 3.09Å
248Q91.4Very high91.6Very high104 Ų104118.1 Ų118.149%0.48656%0.557SS.*  trans-57.8133.5173.7-171.9-178.825.100109.8Q230 R250Q230-Q248 HydrophobicContact CB-CB 4.08Å; Q230-Q248 PolarHBondContact O-N 3.46Å; Q248-R250 PolarHBondContact O-N 3.01Å
249S90.6Very high91.4Very high133 Ų133121.1 Ų121.193%0.9356%0.564SS**SBendtrans-72.682.4176.2-169.30000109.7F247F247-S249 PolarHBondContact O-N 3.09Å
250R88.4Confident91.3Very high185 Ų185120.8 Ų120.870%0.69855%0.55SS**  trans-137.6125.5176.9-175.1177178.7179.61.2108.6Q248 K252Q248-R250 PolarHBondContact O-N 3.01Å; R250-K252 PolarHBondContact O-N 3.45Å
251R86.4Confident91.1Very high226 Ų226119.9 Ų119.985%0.85354%0.538SS*.  trans-63.3128.4172.3177.9174.4161.1179.6-4.4109R253R251-R253 PolarHBondContact O-N 3.06Å
252K84.9Confident90.9Very high151 Ų151126.2 Ų126.266%0.65756%0.557SS**  trans-65.3125.2169.2-65.1-171.8178.1-175.30107.4D227 R250D227-K252 IonicContact OD2-NZ 3.36Å; R250-K252 PolarHBondContact O-N 3.45Å
253R81Confident90.5Very high300 Ų300135.9 Ų135.9100%1.13260%0.596SS**  trans-74.10171.5-75.5-172.4177.9-177.5-1.9109.2R251R251-R253 PolarHBondContact O-N 3.06Å

Retrieved 253 of 253 residues in 396.8 ms (Link to these results)