A0A060WZ97_ONCMY Loading...

Neuroguidin, EIF4E binding protein

AlphaFold DB , UniProt , Accession A0A060WZ97, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 325 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low39.9Very low242 Ų242155.3 Ų155.3100%1.19284%0.837SS**  086.10-75177.2171.800108.4
2Q32.9Very low41.5Very low193 Ų193146.6 Ų146.690%0.90280%0.797SS**  trans-91.9115.6172-80.4172.9-27.800107.3S4Q2-S4 PolarHBondContact O-N 3.37Å
3L37.1Very low43.1Very low165 Ų165147.8 Ų147.886%0.86479%0.794SS**  trans-80.9103.6165.9-88.8103.2000108.1I5L3-I5 PolarHBondContact O-N 3.19Å
4S32.9Very low44.9Very low108 Ų108145.1 Ų145.176%0.75578%0.78SS**  trans-65.5112.9169-66.50000110.2Q2 K6Q2-S4 PolarHBondContact O-N 3.37Å; S4-K6 PolarHBondContact O-N 3.26Å
5I40Very low46.7Very low163 Ų163141.9 Ų141.984%0.83676%0.762SS**  trans-66.3108.3162.5-65.9165000106.3L3 M7L3-I5 PolarHBondContact O-N 3.19Å; I5-M7 PolarHBondContact O-N 3.18Å
6K37.7Very low48.4Very low198 Ų198138.1 Ų138.186%0.86174%0.741SS**  trans-62.6116.3173.8-82.3178.7173.5177.90108.7S4 A8S4-K6 PolarHBondContact O-N 3.26Å; K6-A8 PolarHBondContact O-N 3.38Å
7M38.8Very low50.2Low180 Ų180136.2 Ų136.289%0.88773%0.729SS**  trans-41.9130.1168.6-74.2-88-157.100111.4I5I5-M7 PolarHBondContact O-N 3.18Å
8A43.8Very low51.7Low92 Ų92135.6 Ų135.676%0.7673%0.726SS**  trans-58.2136.8161.300000108.9K6 S10K6-A8 PolarHBondContact O-N 3.38Å; A8-S10 PolarHBondContact O-N 3.38Å; A8-S10 VanDerWaalsContact O-N 3.1Å
9A43.5Very low53.3Low80 Ų80131.6 Ų131.666%0.66171%0.71SS**  trans-53.2114.5-179.200000111Y11A9-Y11 VanDerWaalsContact C-N 3.31Å; A9-Y11 HydrophobicContact CB-CD2 4.41Å; A9-Y11 HydrophobicContact CB-CE2 4.26Å; A9-Y11 PolarHBondContact O-N 3.37Å
10S45.2Very low54.9Low118 Ų118129.8 Ų129.883%0.82570%0.7SS**  trans-75.285.5167.456.20000108.4A8 S12A8-S10 PolarHBondContact O-N 3.38Å; A8-S10 VanDerWaalsContact O-N 3.1Å; S10-S12 PolarHBondContact O-N 3.1Å
11Y49.8Very low56.2Low169 Ų169125 Ų12566%0.66368%0.681SS**  trans-60.7127153.3-73.5-85.3000106.3A9 E13A9-Y11 VanDerWaalsContact C-N 3.31Å; A9-Y11 HydrophobicContact CB-CD2 4.41Å; A9-Y11 HydrophobicContact CB-CE2 4.26Å; A9-Y11 PolarHBondContact O-N 3.37Å; Y11-E13 PolarHBondContact O-N 3.5Å
12S58.7Low58.6Low51 Ų51116.6 Ų116.636%0.35764%0.644SS.*  trans-61.9135.8172.777.70000107.3S10 N14 D15S10-S12 PolarHBondContact O-N 3.1Å; S12-N14 PolarHBondContact O-N 3.05Å; S12-D15 PolarHBondContact O-N 3.45Å; S12-D15 PolarHBondContact OG-N 3.32Å; S12-D15 PolarHBondContact OG-OD2 3.35Å
13E62.4Low61.3Low162 Ų162111.1 Ų111.176%0.75762%0.621SS**Hα-helixtrans-52.4-29.3179.8-71.7-179153.500111.6Y11 I17Y11-E13 PolarHBondContact O-N 3.5Å; E13-I17 WeakPolarHBondContact O-CD1 3.35Å; E13-I17 WeakPolarHBondContact O-CG1 3.12Å; E13-I17 PolarHBondContact O-N 2.95Å; E13-I17 VanDerWaalsContact O-N 3.16Å
14N68.2Low63.6Low111 Ų111105.4 Ų105.459%0.59460%0.598SS**Hα-helixtrans-67.4-40.1176.7-65.9-22.7000113.5S12 L16 I17 D18S12-N14 PolarHBondContact O-N 3.05Å; N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.49Å; N14-I17 PolarHBondContact O-N 3.48Å; N14-D18 WeakPolarHBondContact O-CB 3.43Å; N14-D18 PolarHBondContact O-N 3.41Å
15D71.8Confident66.2Low96 Ų96104.1 Ų104.151%0.51359%0.585SS.*Hα-helixtrans-66-34.3178.9-65.6-41.6000111.9S12 S19S12-D15 PolarHBondContact O-N 3.45Å; S12-D15 PolarHBondContact OG-N 3.32Å; S12-D15 PolarHBondContact OG-OD2 3.35Å; D15-S19 PolarHBondContact O-N 3.16Å; D15-S19 PolarHBondContact O-OG 3.4Å
16L73.4Confident68.8Low82 Ų82104.8 Ų104.843%0.42958%0.577SS.*Hα-helixtrans-69-45.9175.2-76.8159.7000110.9N14 D18 S19 D20N14-L16 VanDerWaalsContact C-N 3.29Å; N14-L16 PolarHBondContact O-N 3.49Å; L16-D18 VanDerWaalsContact C-N 3.35Å; L16-D18 PolarHBondContact O-N 2.94Å; L16-S19 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-OG 3.29Å; L16-D20 WeakPolarHBondContact O-CB 3.4Å; L16-D20 PolarHBondContact O-N 3.49Å
17I78.9Confident71.3Confident106 Ų106101.3 Ų101.354%0.54457%0.567SS.*Hα-helixtrans-61.9-42.1178.3-67.5163.3000111.3E13 N14 S19 G21E13-I17 WeakPolarHBondContact O-CD1 3.35Å; E13-I17 WeakPolarHBondContact O-CG1 3.12Å; E13-I17 PolarHBondContact O-N 2.95Å; E13-I17 VanDerWaalsContact O-N 3.16Å; N14-I17 PolarHBondContact O-N 3.48Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 3.41Å; I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 3.06Å
18D77.9Confident73.6Confident124 Ų12497.7 Ų97.766%0.66355%0.551SS**Hα-helixtrans-67.9-29.7-179.9-75.9-18.1000112.5N14 L16 P22N14-D18 WeakPolarHBondContact O-CB 3.43Å; N14-D18 PolarHBondContact O-N 3.41Å; L16-D18 VanDerWaalsContact C-N 3.35Å; L16-D18 PolarHBondContact O-N 2.94Å; D18-P22 VanDerWaalsContact O-CD 3.27Å; D18-P22 WeakPolarHBondContact O-CD 3.4Å
19S82.3Confident76Confident61 Ų6197.3 Ų97.343%0.42754%0.536SS..Hα-helixtrans-82.4-41.3176.471.10000113.7D15 L16 I17 N23D15-S19 PolarHBondContact O-N 3.16Å; D15-S19 PolarHBondContact O-OG 3.4Å; L16-S19 PolarHBondContact O-N 3.02Å; L16-S19 PolarHBondContact O-OG 3.29Å; I17-S19 VanDerWaalsContact C-N 3.29Å; I17-S19 PolarHBondContact O-N 3.41Å; S19-N23 PolarHBondContact O-ND2 3Å; S19-N23 VanDerWaalsContact O-ND2 3.16Å
20D84.1Confident78.4Confident95 Ų9595.8 Ų95.851%0.50852%0.521SS..Hα-helixtrans-90.4-27.6-174.2-76.3-23.1000113.2L16 N23 A24L16-D20 WeakPolarHBondContact O-CB 3.4Å; L16-D20 PolarHBondContact O-N 3.49Å; D20-N23 PolarHBondContact O-N 2.97Å; D20-A24 WeakPolarHBondContact O-CB 3.49Å; D20-A24 PolarHBondContact O-N 3.16Å
21G83.5Confident80.5Confident29 Ų2994.7 Ų94.730%0.29951%0.505SS..Hα-helixtrans-51.1-56.1177.200000114.2I17 N23 A24 V25I17-G21 WeakPolarHBondContact O-CA 3.43Å; I17-G21 PolarHBondContact O-N 3.06Å; G21-N23 VanDerWaalsContact C-N 3.27Å; G21-N23 PolarHBondContact O-N 2.71Å; G21-A24 PolarHBondContact O-N 3.16Å; G21-V25 WeakPolarHBondContact O-CG2 3.44Å; G21-V25 PolarHBondContact O-N 2.93Å
22P88.9Confident82.6Confident66 Ų6690.8 Ų90.843%0.42950%0.499SS..Hα-helixtrans-64.6-32.7-18024.9-33.8000112.5D18 R26D18-P22 VanDerWaalsContact O-CD 3.27Å; D18-P22 WeakPolarHBondContact O-CD 3.4Å; P22-R26 VanDerWaalsContact O-CG 3.29Å; P22-R26 WeakPolarHBondContact O-CG 3.21Å; P22-R26 PolarHBondContact O-N 3.44Å; P22-R26 VanDerWaalsContact O-N 3.09Å
23N87.9Confident84.3Confident77 Ų7794.9 Ų94.941%0.41251%0.513SS..Hα-helixtrans-70.2-42.6176.7-70.6-35.9000111.6S19 D20 G21 R26 L27S19-N23 PolarHBondContact O-ND2 3Å; S19-N23 VanDerWaalsContact O-ND2 3.16Å; D20-N23 PolarHBondContact O-N 2.97Å; G21-N23 VanDerWaalsContact C-N 3.27Å; G21-N23 PolarHBondContact O-N 2.71Å; N23-R26 PolarHBondContact O-N 2.95Å; N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 3.49Å
24A85.6Confident85.8Confident46 Ų4692.5 Ų92.538%0.3850%0.502SS..Hα-helixtrans-61.5-44.9175.700000111.5D20 G21 R26 L27 L28D20-A24 WeakPolarHBondContact O-CB 3.49Å; D20-A24 PolarHBondContact O-N 3.16Å; G21-A24 PolarHBondContact O-N 3.16Å; A24-R26 PolarHBondContact O-N 3.24Å; A24-L27 PolarHBondContact O-N 3.41Å; A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.5Å
25V88.1Confident86.9Confident81 Ų8191.1 Ų91.149%0.49150%0.497SS..Hα-helixtrans-61.9-43.5176.8173.80000111.3G21 L27 L28 N29G21-V25 WeakPolarHBondContact O-CG2 3.44Å; G21-V25 PolarHBondContact O-N 2.93Å; V25-L27 PolarHBondContact O-N 3.09Å; V25-L28 PolarHBondContact O-N 2.81Å; V25-N29 WeakPolarHBondContact O-CB 3.3Å; V25-N29 VanDerWaalsContact O-CG 3.28Å; V25-N29 PolarHBondContact O-N 2.88Å; V25-N29 PolarHBondContact O-ND2 3.02Å
26R93.6Very high88Confident177 Ų17789.4 Ų89.467%0.66850%0.496SS*.Hα-helixtrans-60.1-45.2175-76.6174.4178.2174.3-0.1112.2P22 N23 A24 N29 S30P22-R26 VanDerWaalsContact O-CG 3.29Å; P22-R26 WeakPolarHBondContact O-CG 3.21Å; P22-R26 PolarHBondContact O-N 3.44Å; P22-R26 VanDerWaalsContact O-N 3.09Å; N23-R26 PolarHBondContact O-N 2.95Å; A24-R26 PolarHBondContact O-N 3.24Å; R26-N29 PolarHBondContact O-N 3.42Å; R26-S30 PolarHBondContact O-N 2.96Å
27L90.5Very high89.1Confident124 Ų12488.6 Ų88.665%0.64950%0.498SS*.Hα-helixtrans-67.2-39.5179.6-71.3172.8000112.2N23 A24 V25 S30 L31N23-L27 WeakPolarHBondContact O-CG 3.33Å; N23-L27 PolarHBondContact O-N 3.49Å; A24-L27 PolarHBondContact O-N 3.41Å; V25-L27 PolarHBondContact O-N 3.09Å; L27-S30 PolarHBondContact O-N 3.44Å; L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.02Å
28L87.8Confident89.8Confident104 Ų10487.5 Ų87.555%0.54550%0.495SS..Hα-helixtrans-64.3-43.1175.2-74.8171.7000111.6A24 V25 L31 T32A24-L28 WeakPolarHBondContact O-CB 3.38Å; A24-L28 WeakPolarHBondContact O-CG 3.37Å; A24-L28 PolarHBondContact O-N 3.5Å; V25-L28 PolarHBondContact O-N 2.81Å; L28-L31 WeakPolarHBondContact O-CB 3.3Å; L28-L31 PolarHBondContact O-N 3.19Å; L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.72Å; L28-T32 PolarHBondContact O-OG1 2.9Å
29N93.3Very high90.6Very high84 Ų8484 Ų8445%0.44948%0.478SS..Hα-helixtrans-63.8-41.2175-70.6-22.2000111.8V25 R26 L31 T32 E33V25-N29 WeakPolarHBondContact O-CB 3.3Å; V25-N29 VanDerWaalsContact O-CG 3.28Å; V25-N29 PolarHBondContact O-N 2.88Å; V25-N29 PolarHBondContact O-ND2 3.02Å; R26-N29 PolarHBondContact O-N 3.42Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 3.46Å; N29-T32 WeakPolarHBondContact CA-OG1 3.48Å; N29-T32 PolarHBondContact O-N 3.22Å; N29-T32 PolarHBondContact O-OG1 3.36Å; N29-E33 WeakPolarHBondContact O-CG 3.41Å; N29-E33 PolarHBondContact O-N 3.25Å
30S94.6Very high91.2Very high49 Ų4982.3 Ų82.334%0.34347%0.471SS..Hα-helixtrans-62.9-39.8174.2-172.30000111.9R26 L27 E33 Q34R26-S30 PolarHBondContact O-N 2.96Å; L27-S30 PolarHBondContact O-N 3.44Å; S30-E33 PolarHBondContact O-N 3.31Å; S30-Q34 WeakPolarHBondContact O-CB 3.41Å; S30-Q34 VanDerWaalsContact O-CG 3.25Å; S30-Q34 WeakPolarHBondContact O-CG 3.38Å; S30-Q34 PolarHBondContact O-N 2.93Å
31L89.7Confident91.7Very high94 Ų9483.4 Ų83.449%0.49247%0.473SS..Hα-helixtrans-64.5-43.2176.8-175.768.8000111.5L27 L28 N29 Q34 V35L27-L31 WeakPolarHBondContact O-CB 3.36Å; L27-L31 PolarHBondContact O-N 3.02Å; L28-L31 WeakPolarHBondContact O-CB 3.3Å; L28-L31 PolarHBondContact O-N 3.19Å; N29-L31 VanDerWaalsContact C-N 3.31Å; N29-L31 PolarHBondContact O-N 3.46Å; L31-Q34 PolarHBondContact O-N 2.96Å; L31-V35 HydrophobicContact CD1-CG2 4.48Å; L31-V35 HydrophobicContact CG-CG2 4.46Å; L31-V35 WeakPolarHBondContact O-CB 3.35Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.26Å
32T93.1Very high92.1Very high88 Ų8885.9 Ų85.954%0.5448%0.482SS..Hα-helixtrans-65-40.3178.6560000111.7L28 N29 V35 A36L28-T32 WeakPolarHBondContact O-CG2 3.49Å; L28-T32 PolarHBondContact O-N 2.72Å; L28-T32 PolarHBondContact O-OG1 2.9Å; N29-T32 WeakPolarHBondContact CA-OG1 3.48Å; N29-T32 PolarHBondContact O-N 3.22Å; N29-T32 PolarHBondContact O-OG1 3.36Å; T32-V35 PolarHBondContact O-N 3.28Å; T32-A36 WeakPolarHBondContact O-CB 3.3Å; T32-A36 PolarHBondContact O-N 3.09Å
33E95.2Very high92.3Very high136 Ų13690.2 Ų90.264%0.63649%0.49SS*.Hα-helixtrans-61.3-45.6172.8-73.1174.2-172.500112.1N29 S30 A36 S37N29-E33 WeakPolarHBondContact O-CG 3.41Å; N29-E33 PolarHBondContact O-N 3.25Å; S30-E33 PolarHBondContact O-N 3.31Å; E33-A36 PolarHBondContact O-N 2.76Å; E33-S37 WeakPolarHBondContact O-CB 3.3Å; E33-S37 PolarHBondContact O-N 2.96Å
34Q93.8Very high92.6Very high113 Ų11390.3 Ų90.353%0.52849%0.49SS..Hα-helixtrans-63.4-43.9177.7-74.1175.911.100111.9S30 L31 A36 S37 V38S30-Q34 WeakPolarHBondContact O-CB 3.41Å; S30-Q34 VanDerWaalsContact O-CG 3.25Å; S30-Q34 WeakPolarHBondContact O-CG 3.38Å; S30-Q34 PolarHBondContact O-N 2.93Å; L31-Q34 PolarHBondContact O-N 2.96Å; Q34-A36 VanDerWaalsContact C-N 3.35Å; Q34-A36 PolarHBondContact O-N 2.97Å; Q34-S37 PolarHBondContact O-N 2.63Å; Q34-V38 VanDerWaalsContact O-CG2 3.32Å; Q34-V38 WeakPolarHBondContact O-CG2 3.31Å; Q34-V38 PolarHBondContact O-N 3.4Å
35V91.6Very high92.8Very high81 Ų8192.3 Ų92.349%0.49149%0.494SS..Hα-helixtrans-63-42.1176.3170.90000110.6L31 T32 S37 V38 T39L31-V35 HydrophobicContact CD1-CG2 4.48Å; L31-V35 HydrophobicContact CG-CG2 4.46Å; L31-V35 WeakPolarHBondContact O-CB 3.35Å; L31-V35 VanDerWaalsContact O-CG2 3.25Å; L31-V35 WeakPolarHBondContact O-CG2 3.46Å; L31-V35 PolarHBondContact O-N 3.26Å; T32-V35 PolarHBondContact O-N 3.28Å; V35-S37 PolarHBondContact O-N 3.3Å; V35-V38 PolarHBondContact O-N 2.9Å; V35-T39 HydrophobicContact CG1-CG2 4.2Å; V35-T39 WeakPolarHBondContact O-CB 3.42Å; V35-T39 WeakPolarHBondContact O-CG2 3.37Å; V35-T39 PolarHBondContact O-N 3.26Å; V35-T39 PolarHBondContact O-OG1 2.68Å
36A94.6Very high92.9Very high60 Ų6092.7 Ų92.750%0.49649%0.493SS..Hα-helixtrans-61.8-43.2175.800000112T32 E33 Q34 T39 G40T32-A36 WeakPolarHBondContact O-CB 3.3Å; T32-A36 PolarHBondContact O-N 3.09Å; E33-A36 PolarHBondContact O-N 2.76Å; Q34-A36 VanDerWaalsContact C-N 3.35Å; Q34-A36 PolarHBondContact O-N 2.97Å; A36-T39 WeakPolarHBondContact CA-OG1 3.41Å; A36-T39 PolarHBondContact O-OG1 3.48Å; A36-G40 PolarHBondContact O-N 3.46Å
37S95.5Very high92.8Very high66 Ų6690.9 Ų90.946%0.46249%0.49SS..Hα-helixtrans-63.9-49.2177.3-174.90000112.2E33 Q34 V35 T39 G40 Q41E33-S37 WeakPolarHBondContact O-CB 3.3Å; E33-S37 PolarHBondContact O-N 2.96Å; Q34-S37 PolarHBondContact O-N 2.63Å; V35-S37 PolarHBondContact O-N 3.3Å; S37-T39 PolarHBondContact O-N 2.95Å; S37-G40 PolarHBondContact O-N 2.94Å; S37-Q41 WeakPolarHBondContact O-CG 3.34Å; S37-Q41 PolarHBondContact O-N 3.4Å
38V93.8Very high92.7Very high82 Ų8291 Ų9150%0.49748%0.482SS..Hα-helixtrans-64-43.3179.2173.30000111.1Q34 V35 G40 Q41 V42Q34-V38 VanDerWaalsContact O-CG2 3.32Å; Q34-V38 WeakPolarHBondContact O-CG2 3.31Å; Q34-V38 PolarHBondContact O-N 3.4Å; V35-V38 PolarHBondContact O-N 2.9Å; V38-G40 VanDerWaalsContact C-N 3.3Å; V38-G40 PolarHBondContact O-N 2.82Å; V38-Q41 PolarHBondContact O-N 3.49Å; V38-V42 HydrophobicContact CG1-CG2 4.35Å; V38-V42 WeakPolarHBondContact O-CG2 3.27Å; V38-V42 PolarHBondContact O-N 3.27Å
39T94.4Very high92.7Very high50 Ų5088.7 Ų88.731%0.30747%0.472SS..Hα-helixtrans-64.4-34.7176.754.30000112.2V35 A36 S37 R43V35-T39 HydrophobicContact CG1-CG2 4.2Å; V35-T39 WeakPolarHBondContact O-CB 3.42Å; V35-T39 WeakPolarHBondContact O-CG2 3.37Å; V35-T39 PolarHBondContact O-N 3.26Å; V35-T39 PolarHBondContact O-OG1 2.68Å; A36-T39 WeakPolarHBondContact CA-OG1 3.41Å; A36-T39 PolarHBondContact O-OG1 3.48Å; S37-T39 PolarHBondContact O-N 2.95Å; T39-R43 WeakPolarHBondContact O-CB 3.33Å; T39-R43 VanDerWaalsContact O-CG 3.24Å; T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 3.49Å
40G95.7Very high92.4Very high26 Ų2691.9 Ų91.927%0.26848%0.484SS..Hα-helixtrans-59.5-52.5170.300000112.3A36 S37 V38 V42 R43 D44A36-G40 PolarHBondContact O-N 3.46Å; S37-G40 PolarHBondContact O-N 2.94Å; V38-G40 VanDerWaalsContact C-N 3.3Å; V38-G40 PolarHBondContact O-N 2.82Å; G40-V42 VanDerWaalsContact C-N 3.34Å; G40-V42 PolarHBondContact O-N 3.34Å; G40-R43 PolarHBondContact O-N 3.29Å; G40-D44 PolarHBondContact O-N 3.23Å
41Q93.9Very high91.9Very high119 Ų11992.2 Ų92.256%0.55650%0.495SS*.Hα-helixtrans-59-43.4178.4-68.2177.52.300112.4S37 V38 D44 L45S37-Q41 WeakPolarHBondContact O-CG 3.34Å; S37-Q41 PolarHBondContact O-N 3.4Å; V38-Q41 PolarHBondContact O-N 3.49Å; Q41-D44 PolarHBondContact O-N 2.95Å; Q41-L45 WeakPolarHBondContact O-CG 3.42Å; Q41-L45 PolarHBondContact O-N 3Å
42V91.9Very high91.6Very high80 Ų8090.3 Ų90.349%0.48550%0.498SS..Hα-helixtrans-63.6-44177.9172.10000110.8V38 G40 D44 L45 L46V38-V42 HydrophobicContact CG1-CG2 4.35Å; V38-V42 WeakPolarHBondContact O-CG2 3.27Å; V38-V42 PolarHBondContact O-N 3.27Å; G40-V42 VanDerWaalsContact C-N 3.34Å; G40-V42 PolarHBondContact O-N 3.34Å; V42-D44 VanDerWaalsContact C-N 3.31Å; V42-D44 PolarHBondContact O-N 3.49Å; V42-L45 PolarHBondContact O-N 3.1Å; V42-L46 WeakPolarHBondContact O-CB 3.39Å; V42-L46 PolarHBondContact O-N 2.88Å
43R94.3Very high91Very high158 Ų15893.9 Ų93.960%0.59651%0.506SS*.Hα-helixtrans-60.6-40.8176.3-75.4172.6-176137.1-0.6111.9T39 G40 L46 K47T39-R43 WeakPolarHBondContact O-CB 3.33Å; T39-R43 VanDerWaalsContact O-CG 3.24Å; T39-R43 WeakPolarHBondContact O-CG 3.45Å; T39-R43 PolarHBondContact O-N 3.49Å; G40-R43 PolarHBondContact O-N 3.29Å; R43-L46 PolarHBondContact O-N 2.93Å; R43-K47 WeakPolarHBondContact O-CG 3.4Å; R43-K47 PolarHBondContact O-N 2.91Å
44D93.3Very high90.1Very high78 Ų7892.3 Ų92.342%0.41750%0.498SS..Hα-helixtrans-67.6-39.2177.8-73.7-15.6000112.4G40 Q41 V42 L46 K47 R48G40-D44 PolarHBondContact O-N 3.23Å; Q41-D44 PolarHBondContact O-N 2.95Å; V42-D44 VanDerWaalsContact C-N 3.31Å; V42-D44 PolarHBondContact O-N 3.49Å; D44-L46 VanDerWaalsContact C-N 3.35Å; D44-K47 PolarHBondContact O-N 3.34Å; D44-K47 IonicContact OD1-NZ 3.03Å; D44-R48 VanDerWaalsContact O-CG 3.29Å; D44-R48 WeakPolarHBondContact O-CG 3.36Å; D44-R48 PolarHBondContact O-N 2.95Å; D44-R48 VanDerWaalsContact O-N 3.13Å
45L89.6Confident89.2Confident88 Ų8895.1 Ų95.146%0.46151%0.511SS..Hα-helixtrans-62.4-43.2171.7-71.8170.8000111.3Q41 V42 K47 R48 V49Q41-L45 WeakPolarHBondContact O-CG 3.42Å; Q41-L45 PolarHBondContact O-N 3Å; V42-L45 PolarHBondContact O-N 3.1Å; L45-K47 PolarHBondContact O-N 3.26Å; L45-R48 WeakPolarHBondContact O-CB 3.48Å; L45-R48 PolarHBondContact O-N 3.42Å; L45-R48 VanDerWaalsContact O-N 3.08Å; L45-V49 WeakPolarHBondContact O-CG2 3.27Å; L45-V49 PolarHBondContact O-N 2.91Å
46L90.1Very high88.4Confident90 Ų9096.7 Ų96.747%0.47152%0.521SS..Hα-helixtrans-61.2-43.9179.2-142.9168.2000111.2V42 R43 D44 R48 V49 Q50V42-L46 WeakPolarHBondContact O-CB 3.39Å; V42-L46 PolarHBondContact O-N 2.88Å; R43-L46 PolarHBondContact O-N 2.93Å; D44-L46 VanDerWaalsContact C-N 3.35Å; L46-R48 VanDerWaalsContact C-N 3.31Å; L46-R48 PolarHBondContact O-N 3.42Å; L46-V49 PolarHBondContact O-N 3.47Å; L46-Q50 HydrophobicContact CD2-CG 3.85Å; L46-Q50 VanDerWaalsContact CD2-NE2 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.34Å; L46-Q50 WeakPolarHBondContact O-CG 3.26Å; L46-Q50 PolarHBondContact O-N 3Å
47K92.3Very high87.4Confident138 Ų13898.7 Ų98.760%0.653%0.531SS*.Hα-helixtrans-58.9-40.3172.7-71.7172.8-175.4170.10112.3R43 D44 L45 G51R43-K47 WeakPolarHBondContact O-CG 3.4Å; R43-K47 PolarHBondContact O-N 2.91Å; D44-K47 PolarHBondContact O-N 3.34Å; D44-K47 IonicContact OD1-NZ 3.03Å; L45-K47 PolarHBondContact O-N 3.26Å; K47-G51 PolarHBondContact O-N 3.38Å
48R87.8Confident86.2Confident127 Ų127105 Ų10548%0.47955%0.55SS..Hα-helixtrans-68.2-37.3177.9-68170-170.1-161.54112.2D44 L45 L46 G52 K53 F54D44-R48 VanDerWaalsContact O-CG 3.29Å; D44-R48 WeakPolarHBondContact O-CG 3.36Å; D44-R48 PolarHBondContact O-N 2.95Å; D44-R48 VanDerWaalsContact O-N 3.13Å; L45-R48 WeakPolarHBondContact O-CB 3.48Å; L45-R48 PolarHBondContact O-N 3.42Å; L45-R48 VanDerWaalsContact O-N 3.08Å; L46-R48 VanDerWaalsContact C-N 3.31Å; L46-R48 PolarHBondContact O-N 3.42Å; R48-G52 PolarHBondContact O-N 3.43Å; R48-K53 HydrophobicContact CB-CD 4.47Å; R48-K53 HydrophobicContact CG-CD 4.47Å; R48-K53 WeakPolarHBondContact O-CB 3.38Å; R48-K53 PolarHBondContact O-N 3.4Å; R48-K53 VanDerWaalsContact O-N 3.09Å; R48-F54 HydrophobicContact CB-CD2 4Å; R48-F54 HydrophobicContact CB-CE2 3.72Å
49V87.8Confident85.2Confident56 Ų56103.9 Ų103.934%0.33956%0.556SS.*Hα-helixtrans-67.9-47.3175.2174.80000110.7L45 L46 G51 G52 F54 T56L45-V49 WeakPolarHBondContact O-CG2 3.27Å; L45-V49 PolarHBondContact O-N 2.91Å; L46-V49 PolarHBondContact O-N 3.47Å; V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.48Å; V49-G52 PolarHBondContact O-N 2.92Å; V49-F54 HydrophobicContact CG2-CB 4.24Å; V49-F54 HydrophobicContact CG2-CD2 4.03Å; V49-T56 HydrophobicContact CG1-CG2 3.95Å
50Q86.9Confident84.5Confident150 Ų150104 Ų10470%0.70155%0.554SS**Hα-helixtrans-61.1-35.6175.4-74.2175.6-15.500112.3L46 G52L46-Q50 HydrophobicContact CD2-CG 3.85Å; L46-Q50 VanDerWaalsContact CD2-NE2 3.27Å; L46-Q50 WeakPolarHBondContact O-CB 3.34Å; L46-Q50 WeakPolarHBondContact O-CG 3.26Å; L46-Q50 PolarHBondContact O-N 3Å; Q50-G52 PolarHBondContact O-N 3.27Å; Q50-G52 VanDerWaalsContact O-N 3.16Å
51G85.8Confident84Confident56 Ų56107.2 Ų107.258%0.57757%0.572SS**THydrogen-bonded Turntrans-73.18.9171.800000114.7K47 V49 K53K47-G51 PolarHBondContact O-N 3.38Å; V49-G51 VanDerWaalsContact C-N 3.26Å; V49-G51 PolarHBondContact O-N 3.48Å; G51-K53 PolarHBondContact O-N 2.93Å; G51-K53 VanDerWaalsContact O-N 3.15Å
52G83.1Confident83.8Confident54 Ų54103.6 Ų103.656%0.55756%0.555SS**THydrogen-bonded Turntrans707.9174.900000115.4R48 V49 Q50 F54R48-G52 PolarHBondContact O-N 3.43Å; V49-G52 PolarHBondContact O-N 2.92Å; Q50-G52 PolarHBondContact O-N 3.27Å; Q50-G52 VanDerWaalsContact O-N 3.16Å; G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.03Å
53K79.4Confident83.6Confident163 Ų163101.5 Ų101.571%0.70954%0.541SS*.SBendtrans-68.9-27.2-178.5-64.6-176.1176.6-179.20112.6R48 G51R48-K53 HydrophobicContact CB-CD 4.47Å; R48-K53 HydrophobicContact CG-CD 4.47Å; R48-K53 WeakPolarHBondContact O-CB 3.38Å; R48-K53 PolarHBondContact O-N 3.4Å; R48-K53 VanDerWaalsContact O-N 3.09Å; G51-K53 PolarHBondContact O-N 2.93Å; G51-K53 VanDerWaalsContact O-N 3.15Å
54F76.8Confident83.4Confident103 Ų10398.1 Ų98.145%0.45253%0.534SS..SBendtrans-119.4118.8176-59-60.7000109.5R48 V49 G52 T56R48-F54 HydrophobicContact CB-CD2 4Å; R48-F54 HydrophobicContact CB-CE2 3.72Å; V49-F54 HydrophobicContact CG2-CB 4.24Å; V49-F54 HydrophobicContact CG2-CD2 4.03Å; G52-F54 VanDerWaalsContact C-N 3.27Å; G52-F54 PolarHBondContact O-N 3.03Å; F54-T56 PolarHBondContact O-N 2.99Å
55Q74.6Confident83.3Confident173 Ų17398.1 Ų98.181%0.80853%0.534SS*.  trans-81.7108.6173.8-68.7172.34.400108.8
56T75Confident83.5Confident113 Ų11398 Ų9869%0.69353%0.528SS*.  trans-89.70.9-17953.10000113.6V49 F54 K58V49-T56 HydrophobicContact CG1-CG2 3.95Å; F54-T56 PolarHBondContact O-N 2.99Å; T56-K58 VanDerWaalsContact C-N 3.32Å; T56-K58 PolarHBondContact O-N 2.92Å
57S74.2Confident83.6Confident102 Ų102100.4 Ų100.471%0.71353%0.531SS*.SBendtrans-71.1-22-173.955.10000114.5
58K69.6Low83.6Confident198 Ų19899.4 Ų99.486%0.86153%0.529SS*.SBendtrans-126.7103.7178.9-65.4-177.1-177.6178.20109.5T56T56-K58 VanDerWaalsContact C-N 3.32Å; T56-K58 PolarHBondContact O-N 2.92Å
59G72.8Confident83.9Confident60 Ų6094.7 Ų94.762%0.61951%0.513SS*.  trans-128.9166.5179.400000112.6S61G59-S61 PolarHBondContact O-N 3.17Å
60L79.9Confident84.2Confident52 Ų5295.1 Ų95.127%0.27251%0.513SS..  trans-81.3103.4169.8-70171.1000108.6F62 L63 D64 I120 L123L60-F62 PolarHBondContact O-N 3.02Å; L60-L63 HydrophobicContact CB-CB 4.33Å; L60-L63 HydrophobicContact CB-CD1 4.04Å; L60-L63 HydrophobicContact CB-CG 4.2Å; L60-L63 HydrophobicContact CD1-CD1 3.75Å; L60-L63 HydrophobicContact CD1-CG 4.43Å; L60-L63 HydrophobicContact CG-CD1 4.5Å; L60-L63 WeakPolarHBondContact O-CB 3.31Å; L60-L63 PolarHBondContact O-N 3.19Å; L60-D64 PolarHBondContact O-N 2.81Å; L60-I120 HydrophobicContact CD1-CG1 3.71Å; L60-L123 HydrophobicContact CD1-CD1 3.98Å; L60-L123 HydrophobicContact CD2-CD1 4.37Å; L60-L123 HydrophobicContact CG-CD1 4.25Å
61S85.8Confident84.6Confident93 Ų9393.1 Ų93.165%0.6551%0.506SS*.Hα-helixtrans-51.5-31.9-179.7169.80000113.8G59 D64 L65G59-S61 PolarHBondContact O-N 3.17Å; S61-D64 PolarHBondContact O-N 2.91Å; S61-L65 PolarHBondContact O-N 2.94Å; S61-L65 VanDerWaalsContact O-N 3.08Å
62F88.9Confident85Confident44 Ų4495.3 Ų95.319%0.19350%0.5CS..Hα-helixtrans-64-38.8175.6173.7-95.6000113.3L60 R66 M109 L112 D113 L116L60-F62 PolarHBondContact O-N 3.02Å; F62-R66 PolarHBondContact O-N 3.29Å; F62-R66 VanDerWaalsContact O-N 3.08Å; F62-M109 HydrophobicContact CD2-CE 3.93Å; F62-M109 HydrophobicContact CE2-CB 4.49Å; F62-M109 HydrophobicContact CE2-CE 3.28Å; F62-M109 HydrophobicContact CE2-CG 4.49Å; F62-M109 HydrophobicContact CZ-CB 4.38Å; F62-M109 HydrophobicContact CZ-CE 3.63Å; F62-L112 HydrophobicContact CE2-CB 3.79Å; F62-L112 HydrophobicContact CE2-CD1 3.97Å; F62-L112 HydrophobicContact CZ-CB 3.81Å; F62-D113 WeakPolarHBondContact CE1-OD1 3.33Å; F62-D113 WeakPolarHBondContact CZ-OD1 3.38Å; F62-L116 HydrophobicContact CB-CD1 4.04Å; F62-L116 HydrophobicContact CD1-CD1 3.37Å; F62-L116 HydrophobicContact CD2-CD1 4.33Å; F62-L116 HydrophobicContact CE1-CD1 3.82Å; F62-L116 HydrophobicContact CG-CD1 3.65Å; F62-L116 HydrophobicContact CZ-CD1 4.47Å
63L88.8Confident85.5Confident35 Ų3595.6 Ų95.618%0.18349%0.485CS..Hα-helixtrans-67.7-39.1175.6-75.4174.5000110.9L60 L65 R66 Y67 I120L60-L63 HydrophobicContact CB-CB 4.33Å; L60-L63 HydrophobicContact CB-CD1 4.04Å; L60-L63 HydrophobicContact CB-CG 4.2Å; L60-L63 HydrophobicContact CD1-CD1 3.75Å; L60-L63 HydrophobicContact CD1-CG 4.43Å; L60-L63 HydrophobicContact CG-CD1 4.5Å; L60-L63 WeakPolarHBondContact O-CB 3.31Å; L60-L63 PolarHBondContact O-N 3.19Å; L63-L65 PolarHBondContact O-N 2.64Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 3.37Å; L63-Y67 HydrophobicContact CB-CD2 4.43Å; L63-Y67 HydrophobicContact CB-CE2 4.01Å; L63-Y67 WeakPolarHBondContact O-CD2 3.41Å; L63-Y67 PolarHBondContact O-N 3.2Å; L63-I120 HydrophobicContact CD1-CD1 4.3Å; L63-I120 HydrophobicContact CD1-CG1 4.34Å; L63-I120 HydrophobicContact CD2-CD1 4.13Å; L63-I120 HydrophobicContact CG-CD1 4.42Å
64D88.9Confident86.2Confident87 Ų8793.1 Ų93.147%0.46548%0.479SS..Hα-helixtrans-59.8-46.9177.1-62-26.3000111.2L60 S61 R66 Y67 Q68L60-D64 PolarHBondContact O-N 2.81Å; S61-D64 PolarHBondContact O-N 2.91Å; D64-R66 VanDerWaalsContact C-N 3.33Å; D64-R66 PolarHBondContact O-N 2.98Å; D64-Y67 PolarHBondContact O-N 3.34Å; D64-Q68 WeakPolarHBondContact O-CG 3.48Å; D64-Q68 PolarHBondContact O-N 3.16Å
65L91.9Very high86.9Confident79 Ų7993.7 Ų93.741%0.41448%0.483SS..Hα-helixtrans-59.5-44.8175.5-176.4151.6000111.3S61 L63 Y67 Q68 L69 M109S61-L65 PolarHBondContact O-N 2.94Å; S61-L65 VanDerWaalsContact O-N 3.08Å; L63-L65 PolarHBondContact O-N 2.64Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.38Å; L65-Q68 PolarHBondContact O-N 3.41Å; L65-L69 HydrophobicContact CD2-CD1 3.54Å; L65-L69 HydrophobicContact CD2-CG 4.06Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.1Å; L65-M109 HydrophobicContact CD2-CE 3.43Å; L65-M109 VanDerWaalsContact CD2-CE 3.43Å; L65-M109 HydrophobicContact CD2-SD 3.75Å
66R92.6Very high87.8Confident85 Ų8586 Ų8632%0.32145%0.448SS..Hα-helixtrans-60.2-43.4178179.4179.8170.8153.35.6111.7F62 L63 D64 L69 L70 L106 M109 D113F62-R66 PolarHBondContact O-N 3.29Å; F62-R66 VanDerWaalsContact O-N 3.08Å; L63-R66 WeakPolarHBondContact O-CB 3.31Å; L63-R66 PolarHBondContact O-N 3.37Å; D64-R66 VanDerWaalsContact C-N 3.33Å; D64-R66 PolarHBondContact O-N 2.98Å; R66-L69 PolarHBondContact O-N 3.33Å; R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 WeakPolarHBondContact O-CG 3.43Å; R66-L70 PolarHBondContact O-N 3.2Å; R66-L106 HydrophobicContact CG-CD2 4.43Å; R66-M109 HydrophobicContact CB-CE 4.1Å; R66-D113 IonicContact CZ-OD1 3.69Å; R66-D113 IonicContact CZ-OD2 2.96Å; R66-D113 IonicContact NH1-OD1 2.76Å; R66-D113 PolarHBondContact NH1-OD1 3.16Å; R66-D113 IonicContact NH1-OD2 3.3Å; R66-D113 PolarHBondContact NH1-OD2 3.19Å
67Y91.8Very high88.6Confident140 Ų14082.6 Ų82.655%0.54943%0.427SS..Hα-helixtrans-68.1-38.1178.3-65.6-45.7000112.3L63 D64 L65 L70 L71L63-Y67 HydrophobicContact CB-CD2 4.43Å; L63-Y67 HydrophobicContact CB-CE2 4.01Å; L63-Y67 WeakPolarHBondContact O-CD2 3.41Å; L63-Y67 PolarHBondContact O-N 3.2Å; D64-Y67 PolarHBondContact O-N 3.34Å; L65-Y67 VanDerWaalsContact C-N 3.33Å; L65-Y67 PolarHBondContact O-N 3.38Å; Y67-L70 HydrophobicContact CD1-CD1 4.25Å; Y67-L70 PolarHBondContact O-N 3.08Å; Y67-L71 WeakPolarHBondContact O-CB 3.43Å; Y67-L71 PolarHBondContact O-N 3.28Å
68Q93Very high89.3Confident117 Ų11781.8 Ų81.855%0.54742%0.417SS..Hα-helixtrans-61.8-43.5172.6-72.4173.6-14.500111.8D64 L65 L70 L71 F72D64-Q68 WeakPolarHBondContact O-CG 3.48Å; D64-Q68 PolarHBondContact O-N 3.16Å; L65-Q68 PolarHBondContact O-N 3.41Å; Q68-L70 PolarHBondContact O-N 3.43Å; Q68-L71 WeakPolarHBondContact O-CB 3.46Å; Q68-L71 PolarHBondContact O-N 3.01Å; Q68-F72 HydrophobicContact CB-CE2 4.42Å; Q68-F72 VanDerWaalsContact O-CD2 3.26Å; Q68-F72 WeakPolarHBondContact O-CD2 3.47Å; Q68-F72 WeakPolarHBondContact O-CG 3.39Å; Q68-F72 PolarHBondContact O-N 3.43Å
69L94.6Very high90.3Very high28 Ų2876.7 Ų76.715%0.14740%0.397CS..Hα-helixtrans-62.8-41.4175.3-71.7179.6000112.7L65 R66 L71 F72 Y73 V102 V105 L106 M109L65-L69 HydrophobicContact CD2-CD1 3.54Å; L65-L69 HydrophobicContact CD2-CG 4.06Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.1Å; R66-L69 PolarHBondContact O-N 3.33Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.87Å; L69-F72 HydrophobicContact CD2-CD2 4.47Å; L69-F72 PolarHBondContact O-N 3.3Å; L69-Y73 WeakPolarHBondContact O-CB 3.45Å; L69-Y73 PolarHBondContact O-N 2.99Å; L69-V102 HydrophobicContact CB-CG1 4.3Å; L69-V102 WeakPolarHBondContact O-CG1 3.47Å; L69-V105 HydrophobicContact CD1-CG1 3.63Å; L69-L106 HydrophobicContact CB-CD2 4.08Å; L69-L106 HydrophobicContact CD1-CD2 4.2Å; L69-M109 HydrophobicContact CD1-SD 3.56Å; L69-M109 VanDerWaalsContact CD1-SD 3.56Å
70L94.7Very high91.1Very high66 Ų6674.6 Ų74.635%0.34637%0.371SS..Hα-helixtrans-62.7-36.7174.4-79.2162000111.7R66 Y67 Q68 Y73 L74 L106R66-L70 HydrophobicContact CG-CD1 4.17Å; R66-L70 WeakPolarHBondContact O-CG 3.43Å; R66-L70 PolarHBondContact O-N 3.2Å; Y67-L70 HydrophobicContact CD1-CD1 4.25Å; Y67-L70 PolarHBondContact O-N 3.08Å; Q68-L70 PolarHBondContact O-N 3.43Å; L70-Y73 WeakPolarHBondContact O-CB 3.41Å; L70-Y73 PolarHBondContact O-N 3.45Å; L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3Å; L70-L106 HydrophobicContact CD2-CD1 4.26Å
71L93.8Very high91.5Very high107 Ų10777.1 Ų77.156%0.5638%0.383SS*.Hα-helixtrans-68-44176.6-167.3145.2000111.5Y67 Q68 L69 Y73 L74 Q75Y67-L71 WeakPolarHBondContact O-CB 3.43Å; Y67-L71 PolarHBondContact O-N 3.28Å; Q68-L71 WeakPolarHBondContact O-CB 3.46Å; Q68-L71 PolarHBondContact O-N 3.01Å; L69-L71 VanDerWaalsContact C-N 3.27Å; L69-L71 PolarHBondContact O-N 2.87Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.4Å; L71-L74 PolarHBondContact O-N 3.08Å; L71-Q75 WeakPolarHBondContact O-CB 3.44Å; L71-Q75 PolarHBondContact O-N 3.34Å
72F94.6Very high91.6Very high103 Ų10375 Ų7545%0.45237%0.369SS..Hα-helixtrans-60.9-40172.8-64.4-40.5000112.1Q68 L69 L74 Q75 D76Q68-F72 HydrophobicContact CB-CE2 4.42Å; Q68-F72 VanDerWaalsContact O-CD2 3.26Å; Q68-F72 WeakPolarHBondContact O-CD2 3.47Å; Q68-F72 WeakPolarHBondContact O-CG 3.39Å; Q68-F72 PolarHBondContact O-N 3.43Å; L69-F72 HydrophobicContact CD2-CD2 4.47Å; L69-F72 PolarHBondContact O-N 3.3Å; F72-L74 PolarHBondContact O-N 2.93Å; F72-Q75 PolarHBondContact O-N 3.49Å; F72-D76 PolarHBondContact O-N 3.34Å
73Y94.9Very high91.6Very high60 Ų6074.7 Ų74.724%0.23537%0.369CS..Hα-helixtrans-58.4-48.2174.1-178.2-89.6000111.4L69 L70 L71 Q75 D76 V77 L99 V102L69-Y73 WeakPolarHBondContact O-CB 3.45Å; L69-Y73 PolarHBondContact O-N 2.99Å; L70-Y73 WeakPolarHBondContact O-CB 3.41Å; L70-Y73 PolarHBondContact O-N 3.45Å; L71-Y73 VanDerWaalsContact C-N 3.3Å; L71-Y73 PolarHBondContact O-N 3.4Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 3.18Å; Y73-D76 PolarHBondContact O-N 2.94Å; Y73-V77 HydrophobicContact CD1-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.8Å; Y73-V77 VanDerWaalsContact O-CG2 3.27Å; Y73-V77 WeakPolarHBondContact O-CG2 3.35Å; Y73-V77 PolarHBondContact O-N 3.22Å; Y73-L99 HydrophobicContact CD1-CD1 4.46Å; Y73-L99 HydrophobicContact CD2-CD1 3.27Å; Y73-L99 HydrophobicContact CD2-CG 4.13Å; Y73-L99 HydrophobicContact CE1-CD1 4.48Å; Y73-L99 HydrophobicContact CE2-CD1 3.31Å; Y73-L99 HydrophobicContact CE2-CG 3.82Å; Y73-L99 HydrophobicContact CG-CD1 3.89Å; Y73-V102 HydrophobicContact CD2-CG1 4.4Å
74L92.3Very high91.4Very high111 Ų11179.8 Ų79.858%0.58139%0.39SS*.Hα-helixtrans-63-40177.4-70.8174.1000112.1L70 L71 F72 V77 T78L70-L74 WeakPolarHBondContact O-CG 3.33Å; L70-L74 PolarHBondContact O-N 3Å; L71-L74 PolarHBondContact O-N 3.08Å; F72-L74 PolarHBondContact O-N 2.93Å; L74-V77 PolarHBondContact O-N 3.06Å; L74-T78 WeakPolarHBondContact O-CG2 3.41Å; L74-T78 PolarHBondContact O-N 2.96Å; L74-T78 PolarHBondContact O-OG1 2.92Å
75Q92.7Very high91.3Very high114 Ų11480.2 Ų80.253%0.53340%0.399SS..Hα-helixtrans-64.2-42.9177.8-175.3177.5-300112.6L71 F72 Y73 V77 T78 H79L71-Q75 WeakPolarHBondContact O-CB 3.44Å; L71-Q75 PolarHBondContact O-N 3.34Å; F72-Q75 PolarHBondContact O-N 3.49Å; Y73-Q75 VanDerWaalsContact C-N 3.34Å; Y73-Q75 PolarHBondContact O-N 3.18Å; Q75-V77 VanDerWaalsContact C-N 3.35Å; Q75-T78 PolarHBondContact O-OG1 2.96Å; Q75-H79 WeakPolarHBondContact O-CB 3.38Å; Q75-H79 PolarHBondContact O-N 3.5Å
76D92.3Very high91Very high13 Ų1383.5 Ų83.57%0.0741%0.413CS..Hα-helixtrans-68.2-35.9176.3-77.9-37.3000111.2F72 Y73 L80 R98 L99F72-D76 PolarHBondContact O-N 3.34Å; Y73-D76 PolarHBondContact O-N 2.94Å; D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.29Å; D76-L80 PolarHBondContact O-N 3.19Å; D76-R98 IonicContact OD1-CZ 3.54Å; D76-R98 VanDerWaalsContact OD1-CZ 3.3Å; D76-R98 IonicContact OD1-NE 2.76Å; D76-R98 PolarHBondContact OD1-NE 3.45Å; D76-R98 IonicContact OD1-NH2 3.3Å; D76-R98 PolarHBondContact OD1-NH2 3.35Å; D76-R98 VanDerWaalsContact OD2-CB 3.3Å; D76-R98 WeakPolarHBondContact OD2-CB 3.36Å; D76-R98 IonicContact OD2-NE 3.66Å; D76-L99 HydrophobicContact CB-CB 4.5Å; D76-L99 HydrophobicContact CB-CD1 4.07Å
77V91.8Very high90.5Very high41 Ų4182.7 Ų82.725%0.24843%0.431CS..Hα-helixtrans-64.9-48.1174.4170.70000111.6Y73 L74 Q75 H79 L80 I81 L99Y73-V77 HydrophobicContact CD1-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.8Å; Y73-V77 VanDerWaalsContact O-CG2 3.27Å; Y73-V77 WeakPolarHBondContact O-CG2 3.35Å; Y73-V77 PolarHBondContact O-N 3.22Å; L74-V77 PolarHBondContact O-N 3.06Å; Q75-V77 VanDerWaalsContact C-N 3.35Å; V77-H79 VanDerWaalsContact C-N 3.29Å; V77-H79 PolarHBondContact O-N 3.23Å; V77-L80 PolarHBondContact O-N 3.49Å; V77-I81 HydrophobicContact CG1-CD1 3.84Å; V77-I81 HydrophobicContact CG1-CG1 4.45Å; V77-I81 WeakPolarHBondContact O-CG1 3.34Å; V77-I81 PolarHBondContact O-N 3.09Å; V77-L99 HydrophobicContact CG2-CD1 3.63Å; V77-L99 HydrophobicContact CG2-CD2 4.22Å
78T89.9Confident90Very high85 Ų8577.6 Ų77.652%0.52142%0.421SS..Hα-helixtrans-64.3-37.1179.553.40000111.5L74 Q75 I81 S82L74-T78 WeakPolarHBondContact O-CG2 3.41Å; L74-T78 PolarHBondContact O-N 2.96Å; L74-T78 PolarHBondContact O-OG1 2.92Å; Q75-T78 PolarHBondContact O-OG1 2.96Å; T78-I81 PolarHBondContact O-N 3.47Å; T78-S82 PolarHBondContact O-N 3.09Å
79H90.2Very high89.4Confident91 Ų9176.3 Ų76.342%0.42143%0.425SS..Hα-helixtrans-62.1-43173.3-178.257.1000112.2Q75 V77 I81 S82 L83Q75-H79 WeakPolarHBondContact O-CB 3.38Å; Q75-H79 PolarHBondContact O-N 3.5Å; V77-H79 VanDerWaalsContact C-N 3.29Å; V77-H79 PolarHBondContact O-N 3.23Å; H79-I81 VanDerWaalsContact C-N 3.33Å; H79-I81 PolarHBondContact O-N 3.27Å; H79-S82 WeakPolarHBondContact O-CB 3.32Å; H79-S82 PolarHBondContact O-N 2.7Å; H79-L83 WeakPolarHBondContact O-CB 3.4Å; H79-L83 PolarHBondContact O-N 2.77Å
80L89.6Confident88.7Confident16 Ų1676.5 Ų76.58%0.08443%0.427CS..Hα-helixtrans-64.9-35.3174.9-72.4172.5000112.9D76 V77 K84 V90 S93 A95 L96 L99D76-L80 VanDerWaalsContact O-CG 3.3Å; D76-L80 WeakPolarHBondContact O-CG 3.29Å; D76-L80 PolarHBondContact O-N 3.19Å; V77-L80 PolarHBondContact O-N 3.49Å; L80-K84 WeakPolarHBondContact O-CG 3.1Å; L80-K84 PolarHBondContact O-N 3.33Å; L80-V90 HydrophobicContact CD2-CG1 4.23Å; L80-S93 WeakPolarHBondContact CD2-OG 3.46Å; L80-A95 HydrophobicContact CD2-CB 3.97Å; L80-A95 HydrophobicContact CG-CB 4.15Å; L80-L96 HydrophobicContact CD1-CD2 3.72Å; L80-L96 HydrophobicContact CD1-CG 4.23Å; L80-L96 HydrophobicContact CD2-CD2 4.37Å; L80-L96 HydrophobicContact CD2-CG 4.12Å; L80-L99 HydrophobicContact CD1-CD2 4.01Å
81I87.9Confident87.7Confident104 Ų10481.6 Ų81.653%0.53345%0.447SS..Hα-helixtrans-65.3-46.2174.5-67.6166.6000110.1V77 T78 H79 L83 K84 S85V77-I81 HydrophobicContact CG1-CD1 3.84Å; V77-I81 HydrophobicContact CG1-CG1 4.45Å; V77-I81 WeakPolarHBondContact O-CG1 3.34Å; V77-I81 PolarHBondContact O-N 3.09Å; T78-I81 PolarHBondContact O-N 3.47Å; H79-I81 VanDerWaalsContact C-N 3.33Å; H79-I81 PolarHBondContact O-N 3.27Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.43Å; I81-K84 PolarHBondContact O-N 3.23Å; I81-S85 PolarHBondContact O-N 3.44Å; I81-S85 PolarHBondContact O-OG 3.42Å
82S88Confident86.6Confident49 Ų4984.2 Ų84.234%0.34346%0.461SS..Hα-helixtrans-57-47.6175.7-162.30000111.4T78 H79 K84 S85 E86T78-S82 PolarHBondContact O-N 3.09Å; H79-S82 WeakPolarHBondContact O-CB 3.32Å; H79-S82 PolarHBondContact O-N 2.7Å; S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 2.87Å; S82-S85 VanDerWaalsContact CA-OG 3.3Å; S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.97Å; S82-S85 VanDerWaalsContact O-N 3.09Å; S82-S85 PolarHBondContact O-OG 3.33Å; S82-E86 WeakPolarHBondContact O-CG 3.47Å; S82-E86 PolarHBondContact O-N 3.47Å; S82-E86 PolarHBondContact OG-OE1 2.91Å
83L88.6Confident85.9Confident38 Ų3880.3 Ų80.320%0.19945%0.447CS..Hα-helixtrans-63.2-38.1-178.9-158.4151.7000111.6H79 I81 G87 G88 S89 V90H79-L83 WeakPolarHBondContact O-CB 3.4Å; H79-L83 PolarHBondContact O-N 2.77Å; I81-L83 VanDerWaalsContact C-N 3.33Å; I81-L83 PolarHBondContact O-N 3.43Å; L83-G87 PolarHBondContact O-N 2.87Å; L83-G88 WeakPolarHBondContact O-CA 3.48Å; L83-G88 PolarHBondContact O-N 3.44Å; L83-S89 WeakPolarHBondContact CD2-O 3.38Å; L83-V90 HydrophobicContact CD2-CG2 4.33Å
84K86.5Confident85.5Confident141 Ų14179.6 Ų79.661%0.61346%0.458SS*.Hα-helixtrans-67.2-41.2172.2-78.3-172.5172.8-168.20112.7L80 I81 S82 E86 G87 V90L80-K84 WeakPolarHBondContact O-CG 3.1Å; L80-K84 PolarHBondContact O-N 3.33Å; I81-K84 PolarHBondContact O-N 3.23Å; S82-K84 VanDerWaalsContact C-N 3.31Å; S82-K84 PolarHBondContact O-N 2.87Å; K84-E86 PolarHBondContact O-N 3.36Å; K84-G87 PolarHBondContact O-N 2.95Å; K84-G87 VanDerWaalsContact O-N 3.09Å; K84-V90 HydrophobicContact CD-CG2 4.12Å; K84-V90 HydrophobicContact CG-CG2 3.39Å
85S85Confident85.2Confident96 Ų9674.5 Ų74.567%0.67143%0.431SS*.Hα-helixtrans-67.8-26.4178.953.80000113.2I81 S82 G87I81-S85 PolarHBondContact O-N 3.44Å; I81-S85 PolarHBondContact O-OG 3.42Å; S82-S85 VanDerWaalsContact CA-OG 3.3Å; S82-S85 WeakPolarHBondContact CA-OG 3.46Å; S82-S85 PolarHBondContact O-N 2.97Å; S82-S85 VanDerWaalsContact O-N 3.09Å; S82-S85 PolarHBondContact O-OG 3.33Å; S85-G87 PolarHBondContact O-N 3.25Å
86E85.9Confident85Confident148 Ų14872 Ų7269%0.69242%0.422SS*.THydrogen-bonded Turntrans-80.5-3.4173.5-69.5164.4-145.900112.8S82 K84 G88S82-E86 WeakPolarHBondContact O-CG 3.47Å; S82-E86 PolarHBondContact O-N 3.47Å; S82-E86 PolarHBondContact OG-OE1 2.91Å; K84-E86 PolarHBondContact O-N 3.36Å; E86-G88 VanDerWaalsContact C-N 3.35Å
87G82.6Confident85Confident68 Ų6878 Ų7870%0.70145%0.449SS*.THydrogen-bonded Turntrans80.412.3-178.500000114.4L83 K84 S85L83-G87 PolarHBondContact O-N 2.87Å; K84-G87 PolarHBondContact O-N 2.95Å; K84-G87 VanDerWaalsContact O-N 3.09Å; S85-G87 PolarHBondContact O-N 3.25Å
88G81.3Confident85Confident34 Ų3481.7 Ų81.735%0.35146%0.458SS..  trans-71.4150.5179.100000113.4L83 E86 V90L83-G88 WeakPolarHBondContact O-CA 3.48Å; L83-G88 PolarHBondContact O-N 3.44Å; E86-G88 VanDerWaalsContact C-N 3.35Å; G88-V90 PolarHBondContact O-N 3.04Å
89S80.9Confident85.1Confident89 Ų8978.9 Ų78.962%0.62244%0.44SS*.  trans-70.8130.3172.21790000110.6L83 K91L83-S89 WeakPolarHBondContact CD2-O 3.38Å; S89-K91 PolarHBondContact OG-N 2.88Å
90V78.6Confident85.3Confident33 Ų3378.8 Ų78.820%0.245%0.446CS..  trans-86.7-16.2177.71760000112.2L80 L83 K84 G88 D92 S93 L96L80-V90 HydrophobicContact CD2-CG1 4.23Å; L83-V90 HydrophobicContact CD2-CG2 4.33Å; K84-V90 HydrophobicContact CD-CG2 4.12Å; K84-V90 HydrophobicContact CG-CG2 3.39Å; G88-V90 PolarHBondContact O-N 3.04Å; V90-D92 PolarHBondContact O-N 3.34Å; V90-S93 PolarHBondContact O-N 3.31Å; V90-S93 PolarHBondContact O-OG 3.02Å; V90-L96 HydrophobicContact CG1-CD1 3.77Å; V90-L96 HydrophobicContact CG1-CD2 4.34Å; V90-L96 HydrophobicContact CG1-CG 4.18Å; V90-L96 WeakPolarHBondContact O-CD1 3.25Å
91K75.4Confident85.5Confident172 Ų17281 Ų8175%0.74846%0.46SS*.THydrogen-bonded Turntrans-63.4127.8178.9-63-178.3179.91790108.8S89 S93S89-K91 PolarHBondContact OG-N 2.88Å; K91-S93 VanDerWaalsContact C-N 3.33Å; K91-S93 PolarHBondContact O-N 2.91Å
92D69.2Low85.9Confident163 Ų16376.8 Ų76.887%0.87244%0.439SS*.THydrogen-bonded Turntrans66.719.6178.5-48.8-40.8000117.1V90 G94V90-D92 PolarHBondContact O-N 3.34Å; D92-G94 PolarHBondContact O-N 2.91Å
93S80.7Confident86.2Confident20 Ų2081.2 Ų81.214%0.1445%0.448CS..  trans-67.8129.4171.760.70000111L80 V90 K91 A95 L96L80-S93 WeakPolarHBondContact CD2-OG 3.46Å; V90-S93 PolarHBondContact O-N 3.31Å; V90-S93 PolarHBondContact O-OG 3.02Å; K91-S93 VanDerWaalsContact C-N 3.33Å; K91-S93 PolarHBondContact O-N 2.91Å; S93-A95 PolarHBondContact O-N 2.85Å; S93-L96 WeakPolarHBondContact O-CB 3.47Å; S93-L96 PolarHBondContact O-N 3.37Å; S93-L96 WeakPolarHBondContact OG-CG 3.48Å
94G85.9Confident86.5Confident46 Ų4682.9 Ų82.947%0.47446%0.46SS..Hα-helixtrans-57.4-24175.500000113.2D92 H97 R98D92-G94 PolarHBondContact O-N 2.91Å; G94-H97 PolarHBondContact O-N 2.8Å; G94-R98 WeakPolarHBondContact O-CG 3.07Å; G94-R98 PolarHBondContact O-N 3.32Å
95A85.9Confident87Confident3 Ų378.9 Ų78.93%0.02545%0.448CS..Hα-helixtrans-63.6-38.3172.900000113.2L80 S93 R98 L99L80-A95 HydrophobicContact CD2-CB 3.97Å; L80-A95 HydrophobicContact CG-CB 4.15Å; S93-A95 PolarHBondContact O-N 2.85Å; A95-R98 PolarHBondContact O-N 3.5Å; A95-L99 VanDerWaalsContact O-CB 3.3Å; A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 PolarHBondContact O-N 2.8Å
96L89.7Confident87.4Confident62 Ų6276 Ų7633%0.32542%0.424SS..Hα-helixtrans-62.7-43.8173-78.6174.5000111.7L80 V90 S93 R98 L99 V100L80-L96 HydrophobicContact CD1-CD2 3.72Å; L80-L96 HydrophobicContact CD1-CG 4.23Å; L80-L96 HydrophobicContact CD2-CD2 4.37Å; L80-L96 HydrophobicContact CD2-CG 4.12Å; V90-L96 HydrophobicContact CG1-CD1 3.77Å; V90-L96 HydrophobicContact CG1-CD2 4.34Å; V90-L96 HydrophobicContact CG1-CG 4.18Å; V90-L96 WeakPolarHBondContact O-CD1 3.25Å; S93-L96 WeakPolarHBondContact O-CB 3.47Å; S93-L96 PolarHBondContact O-N 3.37Å; S93-L96 WeakPolarHBondContact OG-CG 3.48Å; L96-R98 PolarHBondContact O-N 3.35Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.34Å; L96-V100 WeakPolarHBondContact O-CG2 3.21Å; L96-V100 PolarHBondContact O-N 2.94Å
97H91.2Very high87.8Confident138 Ų13872.8 Ų72.864%0.63941%0.409SS*.Hα-helixtrans-63-43.5179.1-171.6-73.4000111.2G94 V100 T101G94-H97 PolarHBondContact O-N 2.8Å; H97-V100 PolarHBondContact O-N 2.97Å; H97-T101 PolarHBondContact ND1-OG1 2.88Å; H97-T101 WeakPolarHBondContact O-CB 3.45Å; H97-T101 PolarHBondContact O-N 3.2Å; H97-T101 PolarHBondContact O-OG1 3.47Å
98R92.2Very high88.4Confident119 Ų11977.7 Ų77.745%0.44941%0.411SS..Hα-helixtrans-60.5-44.8173.2-69.8-168.1-54.8-94.34.2111.7D76 G94 A95 L96 V100 T101 V102D76-R98 IonicContact OD1-CZ 3.54Å; D76-R98 VanDerWaalsContact OD1-CZ 3.3Å; D76-R98 IonicContact OD1-NE 2.76Å; D76-R98 PolarHBondContact OD1-NE 3.45Å; D76-R98 IonicContact OD1-NH2 3.3Å; D76-R98 PolarHBondContact OD1-NH2 3.35Å; D76-R98 VanDerWaalsContact OD2-CB 3.3Å; D76-R98 WeakPolarHBondContact OD2-CB 3.36Å; D76-R98 IonicContact OD2-NE 3.66Å; G94-R98 WeakPolarHBondContact O-CG 3.07Å; G94-R98 PolarHBondContact O-N 3.32Å; A95-R98 PolarHBondContact O-N 3.5Å; L96-R98 PolarHBondContact O-N 3.35Å; R98-V100 PolarHBondContact O-N 3.47Å; R98-T101 WeakPolarHBondContact O-CB 3.34Å; R98-T101 PolarHBondContact O-N 2.96Å; R98-T101 VanDerWaalsContact O-N 3.16Å; R98-V102 WeakPolarHBondContact O-CG2 3.39Å; R98-V102 PolarHBondContact O-N 3.49Å
99L92.5Very high88.9Confident26 Ų2676.9 Ų76.914%0.13640%0.399CS..Hα-helixtrans-59.9-46.6179.6-169.472.8000112.3Y73 D76 V77 L80 A95 L96 T101 V102 R103Y73-L99 HydrophobicContact CD1-CD1 4.46Å; Y73-L99 HydrophobicContact CD2-CD1 3.27Å; Y73-L99 HydrophobicContact CD2-CG 4.13Å; Y73-L99 HydrophobicContact CE1-CD1 4.48Å; Y73-L99 HydrophobicContact CE2-CD1 3.31Å; Y73-L99 HydrophobicContact CE2-CG 3.82Å; Y73-L99 HydrophobicContact CG-CD1 3.89Å; D76-L99 HydrophobicContact CB-CB 4.5Å; D76-L99 HydrophobicContact CB-CD1 4.07Å; V77-L99 HydrophobicContact CG2-CD1 3.63Å; V77-L99 HydrophobicContact CG2-CD2 4.22Å; L80-L99 HydrophobicContact CD1-CD2 4.01Å; A95-L99 VanDerWaalsContact O-CB 3.3Å; A95-L99 WeakPolarHBondContact O-CB 3.36Å; A95-L99 PolarHBondContact O-N 2.8Å; L96-L99 WeakPolarHBondContact O-CB 3.43Å; L96-L99 PolarHBondContact O-N 3.34Å; L99-T101 VanDerWaalsContact C-N 3.34Å; L99-V102 PolarHBondContact O-N 3.26Å; L99-R103 WeakPolarHBondContact O-CB 3.39Å; L99-R103 PolarHBondContact O-N 3.3Å
100V93.8Very high89.4Confident90 Ų9078.7 Ų78.755%0.54539%0.392SS..Hα-helixtrans-63.1-43.9175.91740000110.1L96 H97 R98 R103 T104L96-V100 WeakPolarHBondContact O-CG2 3.21Å; L96-V100 PolarHBondContact O-N 2.94Å; H97-V100 PolarHBondContact O-N 2.97Å; R98-V100 PolarHBondContact O-N 3.47Å; V100-R103 PolarHBondContact O-N 3.49Å; V100-T104 HydrophobicContact CG1-CG2 4.4Å; V100-T104 WeakPolarHBondContact O-CG2 3.45Å; V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.22Å
101T94.2Very high90.1Very high61 Ų6180.4 Ų80.437%0.37440%0.403SS..Hα-helixtrans-58.7-53.1177.4-55.30000110.9H97 R98 L99 R103 T104 V105H97-T101 PolarHBondContact ND1-OG1 2.88Å; H97-T101 WeakPolarHBondContact O-CB 3.45Å; H97-T101 PolarHBondContact O-N 3.2Å; H97-T101 PolarHBondContact O-OG1 3.47Å; R98-T101 WeakPolarHBondContact O-CB 3.34Å; R98-T101 PolarHBondContact O-N 2.96Å; R98-T101 VanDerWaalsContact O-N 3.16Å; L99-T101 VanDerWaalsContact C-N 3.34Å; T101-R103 VanDerWaalsContact C-N 3.27Å; T101-R103 PolarHBondContact O-N 2.93Å; T101-T104 PolarHBondContact O-N 3.25Å; T101-T104 VanDerWaalsContact O-N 3.1Å; T101-T104 PolarHBondContact O-OG1 2.99Å; T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.41Å
102V94.9Very high90.9Very high17 Ų1776.1 Ų76.110%0.10339%0.388CS..Hα-helixtrans-57.9-41.3178173.40000110.8L69 Y73 R98 L99 T104 V105 L106L69-V102 HydrophobicContact CB-CG1 4.3Å; L69-V102 WeakPolarHBondContact O-CG1 3.47Å; Y73-V102 HydrophobicContact CD2-CG1 4.4Å; R98-V102 WeakPolarHBondContact O-CG2 3.39Å; R98-V102 PolarHBondContact O-N 3.49Å; L99-V102 PolarHBondContact O-N 3.26Å; V102-T104 PolarHBondContact O-N 3.41Å; V102-V105 PolarHBondContact O-N 3.32Å; V102-L106 HydrophobicContact CG1-CD1 4.21Å; V102-L106 HydrophobicContact CG1-CG 4.47Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.91Å
103R94.9Very high91.8Very high141 Ų14169.7 Ų69.753%0.53235%0.354SS..Hα-helixtrans-63.4-42.4176.6-176.9141.5-177.7174.6-2.8112.6L99 V100 T101 V105 L106 E107L99-R103 WeakPolarHBondContact O-CB 3.39Å; L99-R103 PolarHBondContact O-N 3.3Å; V100-R103 PolarHBondContact O-N 3.49Å; T101-R103 VanDerWaalsContact C-N 3.27Å; T101-R103 PolarHBondContact O-N 2.93Å; R103-V105 VanDerWaalsContact C-N 3.33Å; R103-V105 PolarHBondContact O-N 3Å; R103-L106 PolarHBondContact O-N 3.32Å; R103-E107 WeakPolarHBondContact O-CG 3.47Å; R103-E107 PolarHBondContact O-N 3.21Å
104T95.9Very high92.2Very high73 Ų7375.7 Ų75.745%0.44838%0.38SS..Hα-helixtrans-64.2-38.4175.662.20000111.9V100 T101 V102 E107 K108V100-T104 HydrophobicContact CG1-CG2 4.4Å; V100-T104 WeakPolarHBondContact O-CG2 3.45Å; V100-T104 PolarHBondContact O-N 3.49Å; V100-T104 PolarHBondContact O-OG1 3.22Å; T101-T104 PolarHBondContact O-N 3.25Å; T101-T104 VanDerWaalsContact O-N 3.1Å; T101-T104 PolarHBondContact O-OG1 2.99Å; V102-T104 PolarHBondContact O-N 3.41Å; T104-E107 WeakPolarHBondContact O-CB 3.25Å; T104-E107 PolarHBondContact O-N 2.92Å; T104-K108 VanDerWaalsContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.45Å; T104-K108 PolarHBondContact O-N 3.01Å
105V95.4Very high92.4Very high58 Ų5881 Ų8135%0.35239%0.39SS..Hα-helixtrans-63.1-46.6175.1175.10000110.5L69 T101 V102 R103 E107 K108 M109L69-V105 HydrophobicContact CD1-CG1 3.63Å; T101-V105 WeakPolarHBondContact O-CG2 3.41Å; T101-V105 PolarHBondContact O-N 3.41Å; V102-V105 PolarHBondContact O-N 3.32Å; R103-V105 VanDerWaalsContact C-N 3.33Å; R103-V105 PolarHBondContact O-N 3Å; V105-E107 VanDerWaalsContact C-N 3.32Å; V105-E107 PolarHBondContact O-N 3.01Å; V105-K108 PolarHBondContact O-N 3.37Å; V105-K108 VanDerWaalsContact O-N 3.1Å; V105-M109 HydrophobicContact CG1-CG 4.38Å; V105-M109 HydrophobicContact CG1-SD 3.99Å; V105-M109 VanDerWaalsContact O-CG 3.31Å; V105-M109 WeakPolarHBondContact O-CG 3.4Å; V105-M109 PolarHBondContact O-N 3.39Å
106L94.1Very high92.5Very high35 Ų3582.7 Ų82.718%0.18340%0.398CS..Hα-helixtrans-60.6-38.2176.7-71.3174.5000112.6R66 L69 L70 V102 R103 M109R66-L106 HydrophobicContact CG-CD2 4.43Å; L69-L106 HydrophobicContact CB-CD2 4.08Å; L69-L106 HydrophobicContact CD1-CD2 4.2Å; L70-L106 HydrophobicContact CD2-CD1 4.26Å; V102-L106 HydrophobicContact CG1-CD1 4.21Å; V102-L106 HydrophobicContact CG1-CG 4.47Å; V102-L106 WeakPolarHBondContact O-CG 3.47Å; V102-L106 PolarHBondContact O-N 2.91Å; R103-L106 PolarHBondContact O-N 3.32Å; L106-M109 PolarHBondContact O-N 3.24Å
107E94.5Very high92.5Very high80 Ų8087.8 Ų87.837%0.37441%0.413SS..Hα-helixtrans-60.9-46.3172.2-74-86.5168.900111.5R103 T104 V105 M109 R110R103-E107 WeakPolarHBondContact O-CG 3.47Å; R103-E107 PolarHBondContact O-N 3.21Å; T104-E107 WeakPolarHBondContact O-CB 3.25Å; T104-E107 PolarHBondContact O-N 2.92Å; V105-E107 VanDerWaalsContact C-N 3.32Å; V105-E107 PolarHBondContact O-N 3.01Å; E107-M109 VanDerWaalsContact C-N 3.28Å; E107-M109 PolarHBondContact O-N 3.39Å; E107-R110 WeakPolarHBondContact O-CB 3.45Å; E107-R110 WeakPolarHBondContact O-CG 3.32Å; E107-R110 PolarHBondContact O-N 3.28Å; E107-R110 IonicContact OE1-CZ 3.93Å; E107-R110 IonicContact OE1-NH1 2.61Å; E107-R110 IonicContact OE1-NH2 3.82Å; E107-R110 PolarHBondContact OE1-NH2 2.87Å; E107-R110 IonicContact OE2-CZ 2.7Å; E107-R110 IonicContact OE2-NE 2.77Å; E107-R110 IonicContact OE2-NH1 3.62Å; E107-R110 PolarHBondContact OE2-NH1 3.39Å; E107-R110 IonicContact OE2-NH2 3.88Å; E107-R110 PolarHBondContact OE2-NH2 2.96Å
108K94.5Very high92.3Very high172 Ų17285.7 Ų85.775%0.74840%0.4SS*.Hα-helixtrans-69.7-22.7179.9-66.7-63.4-178-177.30113.6T104 V105 P111T104-K108 VanDerWaalsContact O-CG 3.31Å; T104-K108 WeakPolarHBondContact O-CG 3.45Å; T104-K108 PolarHBondContact O-N 3.01Å; V105-K108 PolarHBondContact O-N 3.37Å; V105-K108 VanDerWaalsContact O-N 3.1Å; K108-P111 VanDerWaalsContact O-CD 3.31Å; K108-P111 WeakPolarHBondContact O-CD 3.32Å
109M92.3Very high92Very high17 Ų1783.9 Ų83.98%0.08440%0.397CS..Hα-helixtrans-77.1-17.8175.6-72.2176.671.600113.8F62 L65 R66 L69 V105 L106 E107 P111 L112 D113F62-M109 HydrophobicContact CD2-CE 3.93Å; F62-M109 HydrophobicContact CE2-CB 4.49Å; F62-M109 HydrophobicContact CE2-CE 3.28Å; F62-M109 HydrophobicContact CE2-CG 4.49Å; F62-M109 HydrophobicContact CZ-CB 4.38Å; F62-M109 HydrophobicContact CZ-CE 3.63Å; L65-M109 HydrophobicContact CD2-CE 3.43Å; L65-M109 VanDerWaalsContact CD2-CE 3.43Å; L65-M109 HydrophobicContact CD2-SD 3.75Å; R66-M109 HydrophobicContact CB-CE 4.1Å; L69-M109 HydrophobicContact CD1-SD 3.56Å; L69-M109 VanDerWaalsContact CD1-SD 3.56Å; V105-M109 HydrophobicContact CG1-CG 4.38Å; V105-M109 HydrophobicContact CG1-SD 3.99Å; V105-M109 VanDerWaalsContact O-CG 3.31Å; V105-M109 WeakPolarHBondContact O-CG 3.4Å; V105-M109 PolarHBondContact O-N 3.39Å; L106-M109 PolarHBondContact O-N 3.24Å; E107-M109 VanDerWaalsContact C-N 3.28Å; E107-M109 PolarHBondContact O-N 3.39Å; M109-P111 VanDerWaalsContact C-CD 3.49Å; M109-L112 WeakPolarHBondContact O-CA 3.36Å; M109-L112 WeakPolarHBondContact O-CB 3.41Å; M109-L112 PolarHBondContact O-N 3.31Å; M109-D113 PolarHBondContact O-N 3.36Å; M109-D113 VanDerWaalsContact O-N 3.09Å
110R91.8Very high91.8Very high126 Ų12684.5 Ų84.548%0.47540%0.4SS..Hα-helixtrans-55.2-40.9-175.9-65.7-177.8-173.61697115.4E107 L112 D113 Q114E107-R110 WeakPolarHBondContact O-CB 3.45Å; E107-R110 WeakPolarHBondContact O-CG 3.32Å; E107-R110 PolarHBondContact O-N 3.28Å; E107-R110 IonicContact OE1-CZ 3.93Å; E107-R110 IonicContact OE1-NH1 2.61Å; E107-R110 IonicContact OE1-NH2 3.82Å; E107-R110 PolarHBondContact OE1-NH2 2.87Å; E107-R110 IonicContact OE2-CZ 2.7Å; E107-R110 IonicContact OE2-NE 2.77Å; E107-R110 IonicContact OE2-NH1 3.62Å; E107-R110 PolarHBondContact OE2-NH1 3.39Å; E107-R110 IonicContact OE2-NH2 3.88Å; E107-R110 PolarHBondContact OE2-NH2 2.96Å; R110-L112 PolarHBondContact O-N 2.93Å; R110-D113 WeakPolarHBondContact O-CB 3.35Å; R110-D113 PolarHBondContact O-N 2.88Å; R110-Q114 WeakPolarHBondContact O-CG 3.24Å; R110-Q114 PolarHBondContact O-N 2.99Å
111P93.9Very high91.5Very high69 Ų6983.5 Ų83.545%0.44839%0.392SS..Hα-helixtrans-63.8-30.8176.6-22.335000112.6K108 M109 Q114 K115K108-P111 VanDerWaalsContact O-CD 3.31Å; K108-P111 WeakPolarHBondContact O-CD 3.32Å; M109-P111 VanDerWaalsContact C-CD 3.49Å; P111-Q114 PolarHBondContact O-N 3.49Å; P111-K115 WeakPolarHBondContact O-CG 3.45Å; P111-K115 PolarHBondContact O-N 3.45Å
112L90.4Very high91.1Very high82 Ų8283.2 Ų83.243%0.42939%0.385SS..Hα-helixtrans-72.2-40.4175.1-62.1176.1000110.9F62 M109 R110 Q114 K115 L116F62-L112 HydrophobicContact CE2-CB 3.79Å; F62-L112 HydrophobicContact CE2-CD1 3.97Å; F62-L112 HydrophobicContact CZ-CB 3.81Å; M109-L112 WeakPolarHBondContact O-CA 3.36Å; M109-L112 WeakPolarHBondContact O-CB 3.41Å; M109-L112 PolarHBondContact O-N 3.31Å; R110-L112 PolarHBondContact O-N 2.93Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.83Å; L112-K115 PolarHBondContact O-N 3.4Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 2.92Å
113D88.4Confident90.5Very high29 Ų2986.8 Ų86.816%0.15540%0.403CS..Hα-helixtrans-55.2-44.6171.7-70.4-44.3000111.3F62 R66 M109 R110 K115 L116 R117F62-D113 WeakPolarHBondContact CE1-OD1 3.33Å; F62-D113 WeakPolarHBondContact CZ-OD1 3.38Å; R66-D113 IonicContact CZ-OD1 3.69Å; R66-D113 IonicContact CZ-OD2 2.96Å; R66-D113 IonicContact NH1-OD1 2.76Å; R66-D113 PolarHBondContact NH1-OD1 3.16Å; R66-D113 IonicContact NH1-OD2 3.3Å; R66-D113 PolarHBondContact NH1-OD2 3.19Å; M109-D113 PolarHBondContact O-N 3.36Å; M109-D113 VanDerWaalsContact O-N 3.09Å; R110-D113 WeakPolarHBondContact O-CB 3.35Å; R110-D113 PolarHBondContact O-N 2.88Å; D113-K115 PolarHBondContact O-N 2.89Å; D113-L116 CarbonylContact O-C 3.48Å; D113-L116 PolarHBondContact O-N 3.12Å; D113-R117 WeakPolarHBondContact O-CB 3.4Å; D113-R117 PolarHBondContact O-N 2.93Å
114Q90.8Very high90Very high145 Ų14584 Ų8468%0.67840%0.402SS*.Hα-helixtrans-63.2-41.6179.6-70.3173.93.700112.1R110 P111 L112 L116 R117R110-Q114 WeakPolarHBondContact O-CG 3.24Å; R110-Q114 PolarHBondContact O-N 2.99Å; P111-Q114 PolarHBondContact O-N 3.49Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.83Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; Q114-R117 WeakPolarHBondContact O-CB 3.47Å; Q114-R117 PolarHBondContact O-N 3.32Å
115K89.5Confident89.5Confident159 Ų15989 Ų8969%0.69141%0.412SS*.Hα-helixtrans-66-36.1176.2-71.3176.9-178.2-177.40112.3P111 L112 D113P111-K115 WeakPolarHBondContact O-CG 3.45Å; P111-K115 PolarHBondContact O-N 3.45Å; L112-K115 PolarHBondContact O-N 3.4Å; D113-K115 PolarHBondContact O-N 2.89Å
116L88.3Confident88.8Confident38 Ų3888.3 Ų88.320%0.19941%0.408CS..Hα-helixtrans-85.8-14.9-179.3-66.4175.8000113.3F62 L112 D113 Q114 Y118 Q119 I120F62-L116 HydrophobicContact CB-CD1 4.04Å; F62-L116 HydrophobicContact CD1-CD1 3.37Å; F62-L116 HydrophobicContact CD2-CD1 4.33Å; F62-L116 HydrophobicContact CE1-CD1 3.82Å; F62-L116 HydrophobicContact CG-CD1 3.65Å; F62-L116 HydrophobicContact CZ-CD1 4.47Å; L112-L116 WeakPolarHBondContact O-CB 3.4Å; L112-L116 WeakPolarHBondContact O-CG 3.49Å; L112-L116 PolarHBondContact O-N 2.92Å; D113-L116 CarbonylContact O-C 3.48Å; D113-L116 PolarHBondContact O-N 3.12Å; Q114-L116 VanDerWaalsContact C-N 3.33Å; L116-Y118 VanDerWaalsContact C-N 3.27Å; L116-Y118 PolarHBondContact O-N 2.92Å; L116-Q119 WeakPolarHBondContact O-CA 3.44Å; L116-Q119 WeakPolarHBondContact O-CB 3.33Å; L116-Q119 PolarHBondContact O-N 3.32Å; L116-I120 HydrophobicContact CB-CD1 4.15Å; L116-I120 WeakPolarHBondContact O-CG1 3.27Å; L116-I120 PolarHBondContact O-N 2.88Å
117R89.3Confident88.2Confident168 Ų16890.8 Ų90.863%0.63443%0.434SS*.Hα-helixtrans-49.6-47.4-179-176.8175.3-179.6178.43.4112.3D113 Q114 Q119 I120 D121D113-R117 WeakPolarHBondContact O-CB 3.4Å; D113-R117 PolarHBondContact O-N 2.93Å; Q114-R117 WeakPolarHBondContact O-CB 3.47Å; Q114-R117 PolarHBondContact O-N 3.32Å; R117-Q119 VanDerWaalsContact C-N 3.33Å; R117-Q119 PolarHBondContact O-N 3.47Å; R117-I120 PolarHBondContact O-N 2.86Å; R117-D121 IonicContact NE-OD2 2.96Å; R117-D121 WeakPolarHBondContact O-CB 3.46Å; R117-D121 VanDerWaalsContact O-CG 3.22Å; R117-D121 PolarHBondContact O-N 3.39Å
118Y86.8Confident87.6Confident95 Ų9592.7 Ų92.737%0.37345%0.451SS..Hα-helixtrans-61.3-42178.3-175.9-103.9000112.5L116 K122 D136 P137 L138L116-Y118 VanDerWaalsContact C-N 3.27Å; L116-Y118 PolarHBondContact O-N 2.92Å; Y118-K122 HydrophobicContact CE1-CD 4.25Å; Y118-K122 WeakPolarHBondContact O-CB 3.13Å; Y118-K122 PolarHBondContact O-N 3.09Å; Y118-D136 WeakPolarHBondContact CE1-OD1 3.29Å; Y118-D136 PolarHBondContact OH-OD1 3.5Å; Y118-P137 VanDerWaalsContact OH-CD 3.27Å; Y118-P137 WeakPolarHBondContact OH-CD 3.39Å; Y118-L138 HydrophobicContact CD1-CD1 3.83Å; Y118-L138 HydrophobicContact CE1-CD1 3.7Å; Y118-L138 HydrophobicContact CE1-CG 4.1Å
119Q86.6Confident86.8Confident81 Ų8189.3 Ų89.338%0.37945%0.445SS..Hα-helixtrans-67.4-41179.6-61-178.53.200111.3L116 R117 K122 L123L116-Q119 WeakPolarHBondContact O-CA 3.44Å; L116-Q119 WeakPolarHBondContact O-CB 3.33Å; L116-Q119 PolarHBondContact O-N 3.32Å; R117-Q119 VanDerWaalsContact C-N 3.33Å; R117-Q119 PolarHBondContact O-N 3.47Å; Q119-K122 PolarHBondContact O-N 3.08Å; Q119-L123 WeakPolarHBondContact O-CB 3.44Å; Q119-L123 VanDerWaalsContact O-CG 3.27Å; Q119-L123 WeakPolarHBondContact O-CG 3.05Å; Q119-L123 PolarHBondContact O-N 3.13Å
120I87.8Confident85.8Confident39 Ų3992 Ų9220%0.248%0.476CS..Hα-helixtrans-63.6-51.7175.9-64.1165.5000109.8L60 L63 L116 R117 K122 L123 V124L60-I120 HydrophobicContact CD1-CG1 3.71Å; L63-I120 HydrophobicContact CD1-CD1 4.3Å; L63-I120 HydrophobicContact CD1-CG1 4.34Å; L63-I120 HydrophobicContact CD2-CD1 4.13Å; L63-I120 HydrophobicContact CG-CD1 4.42Å; L116-I120 HydrophobicContact CB-CD1 4.15Å; L116-I120 WeakPolarHBondContact O-CG1 3.27Å; L116-I120 PolarHBondContact O-N 2.88Å; R117-I120 PolarHBondContact O-N 2.86Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.15Å; I120-L123 PolarHBondContact O-N 2.92Å; I120-L123 VanDerWaalsContact O-N 3.12Å; I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 3.44Å
121D87.4Confident84.3Confident68 Ų6889.6 Ų89.636%0.36448%0.479SS..Hα-helixtrans-60.5-38.8179.6-71.4-17.6000111.2R117 R125R117-D121 IonicContact NE-OD2 2.96Å; R117-D121 WeakPolarHBondContact O-CB 3.46Å; R117-D121 VanDerWaalsContact O-CG 3.22Å; R117-D121 PolarHBondContact O-N 3.39Å; D121-R125 WeakPolarHBondContact O-CB 3.29Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 2.86Å
122K84.8Confident82.8Confident55 Ų5590.4 Ų90.424%0.23948%0.479CS..Hα-helixtrans-62.4-49173.9179.5178.7174174.20111.4Y118 Q119 I120 V124 R125 T126 L132 D136Y118-K122 HydrophobicContact CE1-CD 4.25Å; Y118-K122 WeakPolarHBondContact O-CB 3.13Å; Y118-K122 PolarHBondContact O-N 3.09Å; Q119-K122 PolarHBondContact O-N 3.08Å; I120-K122 VanDerWaalsContact C-N 3.27Å; I120-K122 PolarHBondContact O-N 3.15Å; K122-V124 VanDerWaalsContact C-N 3.35Å; K122-V124 PolarHBondContact O-N 2.93Å; K122-R125 PolarHBondContact O-N 3.2Å; K122-T126 WeakPolarHBondContact O-CG2 3.49Å; K122-T126 PolarHBondContact O-N 3.39Å; K122-T126 PolarHBondContact O-OG1 3.31Å; K122-L132 HydrophobicContact CD-CD2 4.31Å; K122-L132 HydrophobicContact CG-CD2 4.17Å; K122-D136 WeakPolarHBondContact CE-OD2 3.21Å; K122-D136 IonicContact NZ-OD2 2.91Å; K122-D136 PolarHBondContact NZ-OD2 2.89Å
123L82.9Confident81.4Confident93 Ų9389.1 Ų89.149%0.48749%0.486SS..Hα-helixtrans-62.5-41.7179.1-73.4171.6000111.9L60 Q119 I120 T126 A127L60-L123 HydrophobicContact CD1-CD1 3.98Å; L60-L123 HydrophobicContact CD2-CD1 4.37Å; L60-L123 HydrophobicContact CG-CD1 4.25Å; Q119-L123 WeakPolarHBondContact O-CB 3.44Å; Q119-L123 VanDerWaalsContact O-CG 3.27Å; Q119-L123 WeakPolarHBondContact O-CG 3.05Å; Q119-L123 PolarHBondContact O-N 3.13Å; I120-L123 PolarHBondContact O-N 2.92Å; I120-L123 VanDerWaalsContact O-N 3.12Å; L123-T126 VanDerWaalsContact CA-OG1 3.3Å; L123-T126 WeakPolarHBondContact CA-OG1 3Å; L123-T126 PolarHBondContact O-N 2.98Å; L123-T126 PolarHBondContact O-OG1 3.35Å; L123-A127 WeakPolarHBondContact O-CB 3.27Å; L123-A127 PolarHBondContact O-N 3.17Å
124V85.3Confident80.1Confident83 Ų8397.1 Ų97.150%0.50352%0.523SS..Hα-helixtrans-63.1-45.7175.41730000110.6I120 K122 T126 A127 V128I120-V124 HydrophobicContact CG2-CG2 4.4Å; I120-V124 WeakPolarHBondContact O-CG2 3.49Å; I120-V124 PolarHBondContact O-N 3.44Å; K122-V124 VanDerWaalsContact C-N 3.35Å; K122-V124 PolarHBondContact O-N 2.93Å; V124-T126 PolarHBondContact O-N 2.82Å; V124-A127 PolarHBondContact O-N 2.84Å; V124-V128 HydrophobicContact CG1-CG2 4.49Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 3.19Å
125R84.3Confident78.5Confident177 Ų17797.6 Ų97.667%0.66853%0.53SS*.Hα-helixtrans-59.6-46.3175.3-75.4173.4-174.6-157.72111.3D121 K122 A127 V128 T129D121-R125 WeakPolarHBondContact O-CB 3.29Å; D121-R125 WeakPolarHBondContact O-CG 3.47Å; D121-R125 PolarHBondContact O-N 2.86Å; K122-R125 PolarHBondContact O-N 3.2Å; R125-A127 VanDerWaalsContact C-N 3.29Å; R125-A127 PolarHBondContact O-N 2.52Å; R125-V128 PolarHBondContact O-N 3.27Å; R125-T129 PolarHBondContact O-N 3.49Å; R125-T129 PolarHBondContact O-OG1 2.96Å
126T81.8Confident77.3Confident43 Ų4390.4 Ų90.426%0.26450%0.499SS..Hα-helixtrans-61.6-37.7177.7530000112.6K122 L123 V124 G130 L132K122-T126 WeakPolarHBondContact O-CG2 3.49Å; K122-T126 PolarHBondContact O-N 3.39Å; K122-T126 PolarHBondContact O-OG1 3.31Å; L123-T126 VanDerWaalsContact CA-OG1 3.3Å; L123-T126 WeakPolarHBondContact CA-OG1 3Å; L123-T126 PolarHBondContact O-N 2.98Å; L123-T126 PolarHBondContact O-OG1 3.35Å; V124-T126 PolarHBondContact O-N 2.82Å; T126-G130 VanDerWaalsContact O-CA 3.26Å; T126-G130 WeakPolarHBondContact O-CA 3.48Å; T126-G130 PolarHBondContact O-N 3.35Å; T126-L132 HydrophobicContact CG2-CD2 3.4Å; T126-L132 VanDerWaalsContact CG2-CD2 3.4Å; T126-L132 HydrophobicContact CG2-CG 3.82Å
127A80.5Confident76.2Confident88 Ų8893.1 Ų93.173%0.72752%0.519SS*.Hα-helixtrans-68.4-35.3177.600000112.6L123 V124 R125L123-A127 WeakPolarHBondContact O-CB 3.27Å; L123-A127 PolarHBondContact O-N 3.17Å; V124-A127 PolarHBondContact O-N 2.84Å; R125-A127 VanDerWaalsContact C-N 3.29Å; R125-A127 PolarHBondContact O-N 2.52Å
128V82.3Confident75Confident119 Ų11987.9 Ų87.972%0.72150%0.503SS*.Hα-helixtrans-83.8-42.4-178.6175.50000112.7V124 R125V124-V128 HydrophobicContact CG1-CG2 4.49Å; V124-V128 WeakPolarHBondContact O-CG2 3.48Å; V124-V128 PolarHBondContact O-N 3.19Å; R125-V128 PolarHBondContact O-N 3.27Å
129T77.2Confident73.9Confident101 Ų10190 Ų9062%0.6252%0.516SS*.Hα-helixtrans-102.6-9.8-17337.10000114.4R125 S131R125-T129 PolarHBondContact O-N 3.49Å; R125-T129 PolarHBondContact O-OG1 2.96Å; T129-S131 PolarHBondContact O-N 3.1Å
130G70.9Confident72.9Confident73 Ų7394.4 Ų94.475%0.75353%0.534SS*.SBendtrans65.62.717900000115.1T126T126-G130 VanDerWaalsContact O-CA 3.26Å; T126-G130 WeakPolarHBondContact O-CA 3.48Å; T126-G130 PolarHBondContact O-N 3.35Å
131S61.1Low72Confident77 Ų77101.1 Ų101.154%0.53856%0.557SS.*SBendtrans-137.2140.2-176.91790000110.8T129T129-S131 PolarHBondContact O-N 3.1Å
132L62.7Low71.2Confident85 Ų85103.8 Ų103.845%0.44558%0.578SS.*  trans-78.7117.6169.3-71.4156.9000107.2K122 T126K122-L132 HydrophobicContact CD-CD2 4.31Å; K122-L132 HydrophobicContact CG-CD2 4.17Å; T126-L132 HydrophobicContact CG2-CD2 3.4Å; T126-L132 VanDerWaalsContact CG2-CD2 3.4Å; T126-L132 HydrophobicContact CG2-CG 3.82Å
133G62Low70.5Confident56 Ų56105.2 Ų105.258%0.57759%0.589SS**  trans-54.2141.5179.800000112.2N135 D136G133-N135 PolarHBondContact O-N 2.94Å; G133-D136 PolarHBondContact O-N 2.61Å
134E59.2Low69.9Low197 Ų197104.5 Ų104.592%0.92159%0.59SS**THydrogen-bonded Turntrans-53.7-18.5-177.9-102.6178.4152.800114.5
135N58.5Low69.4Low155 Ų155105.8 Ų105.883%0.82959%0.594SS**THydrogen-bonded Turntrans-110.345.1-176.2-61.4-51.3000113.1G133 P137G133-N135 PolarHBondContact O-N 2.94Å; N135-P137 WeakPolarHBondContact O-CD 3.35Å
136D64.9Low68.7Low8 Ų8102.6 Ų102.64%0.04359%0.59CS.*  trans-89.6114.2174179.44.4000111.4Y118 K122 G133 L138 H139Y118-D136 WeakPolarHBondContact CE1-OD1 3.29Å; Y118-D136 PolarHBondContact OH-OD1 3.5Å; K122-D136 WeakPolarHBondContact CE-OD2 3.21Å; K122-D136 IonicContact NZ-OD2 2.91Å; K122-D136 PolarHBondContact NZ-OD2 2.89Å; G133-D136 PolarHBondContact O-N 2.61Å; D136-L138 PolarHBondContact O-N 3.28Å; D136-L138 VanDerWaalsContact O-N 3.1Å; D136-L138 WeakPolarHBondContact OD1-CB 3.28Å; D136-L138 PolarHBondContact OD1-N 3.24Å; D136-H139 HydrophobicContact CB-CB 4.2Å; D136-H139 VanDerWaalsContact O-CB 3.24Å; D136-H139 WeakPolarHBondContact O-CB 3.3Å; D136-H139 PolarHBondContact O-N 3.23Å
137P63.8Low68Low94 Ų94106.1 Ų106.161%0.6161%0.606SS**G310 helixtrans-58.2-24178.2-22.433.6000114.1Y118 N135Y118-P137 VanDerWaalsContact OH-CD 3.27Å; Y118-P137 WeakPolarHBondContact OH-CD 3.39Å; N135-P137 WeakPolarHBondContact O-CD 3.35Å
138L64.7Low67.2Low59 Ų59106 Ų10631%0.30960%0.596SS.*G310 helixtrans-86.3-5.4177.4-68.5176.2000113.6Y118 D136 F140 R141Y118-L138 HydrophobicContact CD1-CD1 3.83Å; Y118-L138 HydrophobicContact CE1-CD1 3.7Å; Y118-L138 HydrophobicContact CE1-CG 4.1Å; D136-L138 PolarHBondContact O-N 3.28Å; D136-L138 VanDerWaalsContact O-N 3.1Å; D136-L138 WeakPolarHBondContact OD1-CB 3.28Å; D136-L138 PolarHBondContact OD1-N 3.24Å; L138-F140 PolarHBondContact O-N 2.73Å; L138-R141 WeakPolarHBondContact O-CG 3.37Å; L138-R141 PolarHBondContact O-N 3.34Å
139H64.3Low66.2Low139 Ų139103.5 Ų103.564%0.64458%0.584SS**G310 helixtrans-69.2-18.7175.3-168.1-90.2000112.3D136 R141D136-H139 HydrophobicContact CB-CB 4.2Å; D136-H139 VanDerWaalsContact O-CB 3.24Å; D136-H139 WeakPolarHBondContact O-CB 3.3Å; D136-H139 PolarHBondContact O-N 3.23Å; H139-R141 PolarHBondContact O-N 2.93Å
140F65.1Low65.4Low173 Ų173106.6 Ų106.676%0.75959%0.589SS**G310 helixtrans-85.621.7177.9-57.7-70.6000114L138L138-F140 PolarHBondContact O-N 2.73Å
141R68.3Low64.6Low180 Ų180109.5 Ų109.568%0.67959%0.587SS**  trans-67134.4171.8-78.3-177.9169.4-167.7-2.6109.7L138 H139 N143L138-R141 WeakPolarHBondContact O-CG 3.37Å; L138-R141 PolarHBondContact O-N 3.34Å; H139-R141 PolarHBondContact O-N 2.93Å; R141-N143 PolarHBondContact O-N 2.86Å
142P70.4Confident64.1Low125 Ų125110.1 Ų110.181%0.81259%0.591SS**  trans-55.7127.2172-21.331.2000109.4P144P142-P144 VanDerWaalsContact O-CD 3.28Å; P142-P144 WeakPolarHBondContact O-CD 3.44Å
143N69.8Low63.6Low85 Ų85114.3 Ų114.346%0.45561%0.608SS.*  trans-89.3105.9175.8-164.75.3000108.8R141 D145 N146R141-N143 PolarHBondContact O-N 2.86Å; N143-D145 PolarHBondContact O-N 3.23Å; N143-N146 WeakPolarHBondContact O-CB 3.35Å; N143-N146 PolarHBondContact O-N 3.36Å
144P71.4Confident62.9Low78 Ų78116 Ų11651%0.50661%0.611SS.*THydrogen-bonded Turntrans-64.3-25.3-175.627.5-34.8000112.4P142 N146 L147 V148P142-P144 VanDerWaalsContact O-CD 3.28Å; P142-P144 WeakPolarHBondContact O-CD 3.44Å; P144-N146 PolarHBondContact O-N 3.01Å; P144-L147 VanDerWaalsContact O-CB 3.3Å; P144-L147 WeakPolarHBondContact O-CB 3.49Å; P144-L147 PolarHBondContact O-N 3.46Å; P144-V148 WeakPolarHBondContact O-CG2 3.3Å; P144-V148 PolarHBondContact O-N 3.48Å
145D73.5Confident62.2Low110 Ų110115.1 Ų115.159%0.58861%0.607SS**Hα-helixtrans-62.9-26.3178.2-62.5-18.8000112.9N143 L147 V148N143-D145 PolarHBondContact O-N 3.23Å; D145-L147 PolarHBondContact O-N 3.29Å; D145-V148 PolarHBondContact O-N 2.9Å
146N71.4Confident61Low109 Ų109115 Ų11558%0.58361%0.606SS**Hα-helixtrans-70.7-10.7173.1-79.2-19.4000113.5N143 P144N143-N146 WeakPolarHBondContact O-CB 3.35Å; N143-N146 PolarHBondContact O-N 3.36Å; P144-N146 PolarHBondContact O-N 3.01Å
147L65.6Low59.8Low117 Ų117120.7 Ų120.761%0.61365%0.647SS**Hα-helixtrans-96.4-33174.9-60171.5000111.5P144 D145 K150P144-L147 VanDerWaalsContact O-CB 3.3Å; P144-L147 WeakPolarHBondContact O-CB 3.49Å; P144-L147 PolarHBondContact O-N 3.46Å; D145-L147 PolarHBondContact O-N 3.29Å; L147-K150 PolarHBondContact O-N 3.26Å
148V64.4Low58.3Low86 Ų86119.2 Ų119.252%0.52165%0.649SS.*Hα-helixtrans-69.4-39.3-174.4-167.70000111.6P144 D145 K150 L151 S152P144-V148 WeakPolarHBondContact O-CG2 3.3Å; P144-V148 PolarHBondContact O-N 3.48Å; D145-V148 PolarHBondContact O-N 2.9Å; V148-K150 PolarHBondContact O-N 3.21Å; V148-K150 VanDerWaalsContact O-N 3.1Å; V148-L151 PolarHBondContact O-N 3.23Å; V148-L151 VanDerWaalsContact O-N 3.07Å; V148-S152 PolarHBondContact O-N 3.27Å
149S61.3Low56.7Low67 Ų67124 Ų12447%0.46968%0.675SS.*THydrogen-bonded Turntrans-64.8-15.7177.6580000114.4
150K59.4Low55Low165 Ų165126.1 Ų126.172%0.71769%0.685SS**THydrogen-bonded Turntrans-92.7-13176-67.4-175.7-179.8176.10114L147 V148L147-K150 PolarHBondContact O-N 3.26Å; V148-K150 PolarHBondContact O-N 3.21Å; V148-K150 VanDerWaalsContact O-N 3.1Å
151L54.9Low53.2Low134 Ų134126 Ų12670%0.70269%0.692SS**THydrogen-bonded Turntrans-100.4-26.3179.3-79.3162.4000112V148 S154V148-L151 PolarHBondContact O-N 3.23Å; V148-L151 VanDerWaalsContact O-N 3.07Å; L151-S154 PolarHBondContact O-OG 3.41Å
152S51.5Low51.2Low90 Ų90120.6 Ų120.663%0.62969%0.693SS**THydrogen-bonded Turntrans-83.2-9.317767.10000114.3V148V148-S152 PolarHBondContact O-N 3.27Å
153E51.4Low49.2Very low174 Ų174118.2 Ų118.281%0.81369%0.691SS**THydrogen-bonded Turntrans-95.74.4-178.2-157.2167.8-17500113
154S48.2Very low47.1Very low90 Ų90123.9 Ų123.963%0.62971%0.714SS**SBendtrans-100-3.3177.354.60000115.1L151L151-S154 PolarHBondContact O-OG 3.41Å
155E43.2Very low45.4Very low180 Ų180130.1 Ų130.184%0.84173%0.733SS**SBendtrans-142.768.8177.8-67.4-158-176.200111.9
156D34.1Very low43.2Very low152 Ų152129.8 Ų129.881%0.81375%0.746SS**  trans-167105.8140.1-161.318.5000109.2
157S39.8Very low41.6Very low128 Ų128134.2 Ų134.290%0.89576%0.763SS**  trans-110.692.8168.160.40000107.4
158G31Very low39.8Very low63 Ų63132.2 Ų132.265%0.64977%0.771SS**  trans-144.7117.617500000109.9
159D31Very low38.3Very low159 Ų159132.7 Ų132.785%0.8578%0.784SS**  trans-69.6138-176.6-157.18.4000111.9
160E28.6Very low36.9Very low184 Ų184138.2 Ų138.286%0.8680%0.802SS**  168.3145.9122.6-91-173.5-179.800114.3
161D28.6Very low35.9Very low170 Ų170139.4 Ų139.491%0.90981%0.808SS**  trans-27.7155.4178.8-162.624000122.1
162G26.2Very low35Very low67 Ų67141.9 Ų141.969%0.69181%0.812SS**  trans132.499.3149.800000118.8
163G27.1Very low34.4Very low75 Ų75143.6 Ų143.677%0.77382%0.819SS**  84.6111.3127.200000122
164E26.3Very low34.2Very low203 Ų203140.7 Ų140.795%0.94982%0.815SS**  trans86147.7137.6-56.4-161.616400122.6
165K36.5Very low33.9Very low209 Ų209140.6 Ų140.691%0.90982%0.815SS**  trans-80.5144.9-160.8-63175.8173.4176.70112.9
166A26.8Very low34.3Very low103 Ų103137.9 Ų137.985%0.85182%0.816SS**  trans-150132.7147.600000110.9
167E37Very low35.2Very low203 Ų203134.3 Ų134.395%0.94981%0.814SS**  trans-72.5139.1-178.5-60-176152.400111.8
168G28.1Very low36.4Very low74 Ų74137 Ų13776%0.76381%0.81SS**  trans1799017500000114.6
169A33.3Very low38.4Very low97 Ų97143.2 Ų143.280%0.80282%0.819SS**  trans38.198.1156.800000118.3K171A169-K171 PolarHBondContact O-N 3.28Å
170E32Very low40.9Very low182 Ų182144.4 Ų144.485%0.8581%0.813SS**  trans-57.592.5168-65.9-172.8165.600112.7K172E170-K172 PolarHBondContact O-N 3.2Å
171K37.4Very low43.5Very low191 Ų191141.2 Ų141.283%0.8381%0.805SS**  trans-77.2106.4151.1-80.3-175.8-179.21740107.1A169 V173A169-K171 PolarHBondContact O-N 3.28Å; K171-V173 VanDerWaalsContact C-N 3.34Å; K171-V173 PolarHBondContact O-N 3.07Å
172K37.2Very low46Very low185 Ų185136.9 Ų136.980%0.80479%0.787SS**  trans-55.994.3173.4-69.1-174.6178.1177.50110.4E170E170-K172 PolarHBondContact O-N 3.2Å
173V38.1Very low48.6Very low127 Ų127138.2 Ų138.277%0.7778%0.783SS**  trans-62.9121.8164.5-174.30000106.5K171 S175K171-V173 VanDerWaalsContact C-N 3.34Å; K171-V173 PolarHBondContact O-N 3.07Å; V173-S175 PolarHBondContact O-N 3.37Å
174P47.1Very low51.1Low112 Ų112144.5 Ų144.573%0.72779%0.789SS**  trans-68.4113.2177.127.4-29.6000107.7S176P174-S176 PolarHBondContact O-N 3.1Å
175S41.6Very low53.3Low89 Ų89142 Ų14262%0.62278%0.781SS**  trans1.9109.5160.3153.10000114.1V173 G177V173-S175 PolarHBondContact O-N 3.37Å; S175-G177 PolarHBondContact O-N 3.38Å
176S52.3Low55.3Low123 Ų123135.4 Ų135.486%0.8677%0.765SS**THydrogen-bonded Turntrans-43.6120.5157.545.30000109.1P174P174-S176 PolarHBondContact O-N 3.1Å
177G53.8Low57.8Low76 Ų76136.9 Ų136.978%0.78477%0.766SS**THydrogen-bonded Turntrans139.1-11175.500000116.8S175 K179S175-G177 PolarHBondContact O-N 3.38Å; G177-K179 PolarHBondContact O-N 2.83Å
178K64.1Low59.6Low185 Ų185135.5 Ų135.580%0.80476%0.762SS**  trans-85.3104.1172.8-70-178.8-174.31730110.4Y180K178-Y180 PolarHBondContact O-N 3.09Å; K178-Y180 VanDerWaalsContact O-N 3.17Å
179K73.9Confident61.6Low194 Ų194140.7 Ų140.784%0.84377%0.766SS**  trans-48.3119.3169-162.3170.8-168.4175.60108.8G177 V181G177-K179 PolarHBondContact O-N 2.83Å; K179-V181 PolarHBondContact O-N 2.92Å
180Y83.1Confident63.5Low184 Ų184144.7 Ų144.772%0.72276%0.761SS**  trans-61.2121179.6176.9-101.5000109.2K178 P182K178-Y180 PolarHBondContact O-N 3.09Å; K178-Y180 VanDerWaalsContact O-N 3.17Å; Y180-P182 HydrophobicContact CE1-CB 3.96Å
181V82.4Confident64.9Low116 Ų116142 Ų14270%0.70375%0.749SS**  trans-106.5111.1172.9-179.60000107K179K179-V181 PolarHBondContact O-N 2.92Å
182P81.9Confident66.6Low80 Ų80134.4 Ų134.452%0.51973%0.725SS.*  trans-61.6137.6177.321.8-29.7000110Y180 K184Y180-P182 HydrophobicContact CE1-CB 3.96Å; P182-K184 PolarHBondContact O-N 3.24Å
183P80.3Confident68.2Low95 Ų95132.7 Ų132.762%0.61773%0.725SS**  trans-61.6129.6174.925.8-32.3000109.1I185P183-I185 PolarHBondContact O-N 3.07Å; P183-I185 VanDerWaalsContact O-N 3.08Å
184K79.3Confident69.6Low207 Ų207129.5 Ų129.590%0.970%0.703SS**  trans-77.994.4175.1-65.8-176.9178.9-175.70108.2P182 A186P182-K184 PolarHBondContact O-N 3.24Å; K184-A186 PolarHBondContact O-N 3.23Å
185I73.9Confident71Confident151 Ų151127.9 Ų127.977%0.77469%0.691SS**  trans-77.9108.1174.1-56.4173.7000107.1P183P183-I185 PolarHBondContact O-N 3.07Å; P183-I185 VanDerWaalsContact O-N 3.08Å
186A78.6Confident72.8Confident70 Ų70128.9 Ų128.958%0.57969%0.69SS**  trans-78.4137.5167.200000108.3K184 M188K184-A186 PolarHBondContact O-N 3.23Å; A186-M188 PolarHBondContact O-N 3.35Å; A186-M188 VanDerWaalsContact O-N 3.1Å
187P77.9Confident74.3Confident133 Ų133125.6 Ų125.686%0.86467%0.67SS**  trans-57.3118.4169.8-1829.4000108.7
188M75.7Confident75.7Confident175 Ų175124.7 Ų124.786%0.86265%0.647SS**  trans-106.5135.7168.3-66.3-171.685.100107.4A186 Y190A186-M188 PolarHBondContact O-N 3.35Å; A186-M188 VanDerWaalsContact O-N 3.1Å; M188-Y190 PolarHBondContact O-N 3.27Å
189H70.3Confident76.6Confident183 Ų183120.5 Ų120.585%0.84763%0.629SS**  trans-61.2126.7173-71.4-84.9000108.8E191H189-E191 PolarHBondContact O-N 2.91Å
190Y71.7Confident77.1Confident180 Ų180118.7 Ų118.771%0.70662%0.621SS**  trans-79.4108.7175.2179.6-106.6000108.3M188 G192 D193M188-Y190 PolarHBondContact O-N 3.27Å; Y190-G192 VanDerWaalsContact CE1-CA 3.43Å; Y190-G192 PolarHBondContact O-N 3.1Å; Y190-D193 PolarHBondContact OH-OD1 3.31Å
191E63.3Low77.3Confident125 Ų125116 Ų11658%0.58461%0.613SS**  trans-83.411.2-179.7-61.2-165.2166.600113.5H189 L194H189-E191 PolarHBondContact O-N 2.91Å; E191-L194 HydrophobicContact CB-CD1 3.58Å; E191-L194 HydrophobicContact CB-CG 4.22Å; E191-L194 WeakPolarHBondContact OE2-CD1 3.5Å
192G72.2Confident77.5Confident33 Ų33115 Ų11534%0.3460%0.601SS.*  trans88.3-173.7-175.800000113.5Y190 L194Y190-G192 VanDerWaalsContact CE1-CA 3.43Å; Y190-G192 PolarHBondContact O-N 3.1Å; G192-L194 PolarHBondContact O-N 3.08Å
193D71.4Confident77.7Confident148 Ų148116 Ų11679%0.79160%0.602SS**SBendtrans-76.965.2172.8-71.3-17.4000110.2Y190 T195Y190-D193 PolarHBondContact OH-OD1 3.31Å; D193-T195 PolarHBondContact O-N 3.36Å
194L66Low78Confident61 Ų61113.2 Ų113.232%0.31959%0.586SS.*  trans-63.2123.5172.7-68.4176.2000109.2E191 G192 D198 K199E191-L194 HydrophobicContact CB-CD1 3.58Å; E191-L194 HydrophobicContact CB-CG 4.22Å; E191-L194 WeakPolarHBondContact OE2-CD1 3.5Å; G192-L194 PolarHBondContact O-N 3.08Å; L194-D198 HydrophobicContact CB-CB 4.35Å; L194-D198 HydrophobicContact CD2-CB 4.16Å; L194-K199 HydrophobicContact CB-CG 4.41Å; L194-K199 WeakPolarHBondContact O-CE 3.35Å
195T78.3Confident78.3Confident78 Ų78106.4 Ų106.448%0.47956%0.559SS.*  trans-62.6155.7174.669.10000109.8D193 A197 D198 K199D193-T195 PolarHBondContact O-N 3.36Å; T195-A197 PolarHBondContact O-N 2.92Å; T195-A197 VanDerWaalsContact O-N 3.09Å; T195-D198 PolarHBondContact N-OD2 3.06Å; T195-D198 PolarHBondContact O-N 3Å; T195-D198 PolarHBondContact OG1-N 2.92Å; T195-D198 PolarHBondContact OG1-OD2 3.5Å; T195-K199 PolarHBondContact O-N 2.89Å
196D78.6Confident78.9Confident110 Ų110106 Ų10659%0.58855%0.552SS**Hα-helixtrans-62.4-19.8177.2-67-29.7000112.6K199 K200D196-K199 IonicContact OD1-NZ 3.64Å; D196-K199 PolarHBondContact OD1-NZ 3.12Å; D196-K200 VanDerWaalsContact O-CG 3.31Å; D196-K200 WeakPolarHBondContact O-CG 3.43Å; D196-K200 PolarHBondContact O-N 2.89Å
197A83.3Confident79.2Confident54 Ų54108.5 Ų108.545%0.44655%0.552SS.*Hα-helixtrans-69.2-39.8170.400000112T195 K200 K201T195-A197 PolarHBondContact O-N 2.92Å; T195-A197 VanDerWaalsContact O-N 3.09Å; A197-K200 PolarHBondContact O-N 3.29Å; A197-K201 WeakPolarHBondContact O-CG 3.45Å; A197-K201 PolarHBondContact O-N 3.04Å
198D82.9Confident79.5Confident57 Ų57108.2 Ų108.231%0.30553%0.533SS..Hα-helixtrans-70.8-38.8-179.9-58.4-40.5000111.4L194 T195 K200 K201 E202L194-D198 HydrophobicContact CB-CB 4.35Å; L194-D198 HydrophobicContact CD2-CB 4.16Å; T195-D198 PolarHBondContact N-OD2 3.06Å; T195-D198 PolarHBondContact O-N 3Å; T195-D198 PolarHBondContact OG1-N 2.92Å; T195-D198 PolarHBondContact OG1-OD2 3.5Å; D198-K200 VanDerWaalsContact C-N 3.31Å; D198-K200 PolarHBondContact O-N 2.63Å; D198-K201 WeakPolarHBondContact O-CB 3.31Å; D198-K201 PolarHBondContact O-N 2.82Å; D198-K201 IonicContact OD1-NZ 3.02Å; D198-E202 PolarHBondContact O-N 3.21Å
199K83.2Confident80Confident97 Ų97108.3 Ų108.342%0.42252%0.524SS..Hα-helixtrans-59.8-41.3171.9-62.3175.3-165.5153.80112L194 T195 D196 E202 L203L194-K199 HydrophobicContact CB-CG 4.41Å; L194-K199 WeakPolarHBondContact O-CE 3.35Å; T195-K199 PolarHBondContact O-N 2.89Å; D196-K199 IonicContact OD1-NZ 3.64Å; D196-K199 PolarHBondContact OD1-NZ 3.12Å; K199-E202 PolarHBondContact O-N 3.09Å; K199-L203 VanDerWaalsContact O-CG 3.29Å; K199-L203 WeakPolarHBondContact O-CG 3.33Å; K199-L203 PolarHBondContact O-N 2.76Å
200K85Confident80.7Confident155 Ų155102.4 Ų102.467%0.67451%0.507SS*.Hα-helixtrans-65.5-40.4176.5-75.6176-176.9-178.80111.9D196 A197 D198 L203 A204D196-K200 VanDerWaalsContact O-CG 3.31Å; D196-K200 WeakPolarHBondContact O-CG 3.43Å; D196-K200 PolarHBondContact O-N 2.89Å; A197-K200 PolarHBondContact O-N 3.29Å; D198-K200 VanDerWaalsContact C-N 3.31Å; D198-K200 PolarHBondContact O-N 2.63Å; K200-L203 PolarHBondContact O-N 2.64Å; K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.29Å
201K87.5Confident81.3Confident127 Ų12794 Ų9455%0.55247%0.474SS*.Hα-helixtrans-62.6-45.3174.8-71.2172.1-174.4168.70111.4A197 D198 L203 A204 D205A197-K201 WeakPolarHBondContact O-CG 3.45Å; A197-K201 PolarHBondContact O-N 3.04Å; D198-K201 WeakPolarHBondContact O-CB 3.31Å; D198-K201 PolarHBondContact O-N 2.82Å; D198-K201 IonicContact OD1-NZ 3.02Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 2.86Å; K201-A204 WeakPolarHBondContact O-CB 3.39Å; K201-A204 PolarHBondContact O-N 2.96Å; K201-A204 VanDerWaalsContact O-N 3.16Å; K201-D205 WeakPolarHBondContact O-CB 3.24Å; K201-D205 PolarHBondContact O-N 3.18Å
202E86.3Confident82.2Confident96 Ų9692.3 Ų92.345%0.44947%0.469SS..Hα-helixtrans-61.8-41.9178.6-163.2-153.6152.400111.8D198 K199 D205 K206D198-E202 PolarHBondContact O-N 3.21Å; K199-E202 PolarHBondContact O-N 3.09Å; E202-D205 PolarHBondContact O-N 3.19Å; E202-K206 VanDerWaalsContact O-CB 3.3Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.92Å
203L85.9Confident82.6Confident102 Ų102100.6 Ų100.653%0.53449%0.49SS..Hα-helixtrans-62.6-43.2174.1-71.7174.7000111.9K199 K200 K201 K206 Q207K199-L203 VanDerWaalsContact O-CG 3.29Å; K199-L203 WeakPolarHBondContact O-CG 3.33Å; K199-L203 PolarHBondContact O-N 2.76Å; K200-L203 PolarHBondContact O-N 2.64Å; K201-L203 VanDerWaalsContact C-N 3.33Å; K201-L203 PolarHBondContact O-N 2.86Å; L203-K206 PolarHBondContact O-N 3.36Å; L203-Q207 WeakPolarHBondContact O-CG 3.4Å; L203-Q207 PolarHBondContact O-N 3.35Å
204A86.4Confident83.1Confident35 Ų3593.8 Ų93.829%0.28945%0.454SS..Hα-helixtrans-63.6-42.3176.100000111.6K200 K201 K206 Q207 R208K200-A204 WeakPolarHBondContact O-CB 3.43Å; K200-A204 PolarHBondContact O-N 3.29Å; K201-A204 WeakPolarHBondContact O-CB 3.39Å; K201-A204 PolarHBondContact O-N 2.96Å; K201-A204 VanDerWaalsContact O-N 3.16Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-K206 PolarHBondContact O-N 2.64Å; A204-Q207 WeakPolarHBondContact O-CB 3.45Å; A204-Q207 PolarHBondContact O-N 3.09Å; A204-R208 WeakPolarHBondContact O-CG 3.35Å; A204-R208 PolarHBondContact O-N 2.91Å
205D85.9Confident83.7Confident64 Ų6493.8 Ų93.834%0.34246%0.459SS..Hα-helixtrans-68.5-34.8177.6-72.4-20.7000112.1K201 E202 R208 R209K201-D205 WeakPolarHBondContact O-CB 3.24Å; K201-D205 PolarHBondContact O-N 3.18Å; E202-D205 PolarHBondContact O-N 3.19Å; D205-R208 PolarHBondContact O-N 3.39Å; D205-R208 IonicContact OD1-CZ 2.95Å; D205-R208 IonicContact OD1-NH1 3.24Å; D205-R208 PolarHBondContact OD1-NH1 2.91Å; D205-R209 WeakPolarHBondContact O-CB 3.46Å; D205-R209 VanDerWaalsContact O-CG 3.23Å; D205-R209 WeakPolarHBondContact O-CG 3.35Å; D205-R209 PolarHBondContact O-N 3.17Å
206K86.6Confident83.9Confident142 Ų14292 Ų9262%0.61745%0.448SS*.Hα-helixtrans-64.3-41171.4-172.8175.4-177.4173.50111.6E202 L203 A204 R209 A210E202-K206 VanDerWaalsContact O-CB 3.3Å; E202-K206 WeakPolarHBondContact O-CB 3.26Å; E202-K206 PolarHBondContact O-N 2.92Å; L203-K206 PolarHBondContact O-N 3.36Å; A204-K206 VanDerWaalsContact C-N 3.34Å; A204-K206 PolarHBondContact O-N 2.64Å; K206-R209 PolarHBondContact O-N 3.3Å; K206-A210 WeakPolarHBondContact O-CB 3.41Å; K206-A210 PolarHBondContact O-N 2.83Å
207Q84.3Confident84.2Confident123 Ų12388 Ų8858%0.57543%0.427SS*.Hα-helixtrans-64.7-44.2174.3-73.2174.2-0.600111.5L203 A204 R209 A210 A211 A292L203-Q207 WeakPolarHBondContact O-CG 3.4Å; L203-Q207 PolarHBondContact O-N 3.35Å; A204-Q207 WeakPolarHBondContact O-CB 3.45Å; A204-Q207 PolarHBondContact O-N 3.09Å; Q207-R209 PolarHBondContact O-N 3.24Å; Q207-A210 PolarHBondContact O-N 2.79Å; Q207-A211 WeakPolarHBondContact O-CB 3.31Å; Q207-A211 PolarHBondContact O-N 3.35Å; Q207-A292 HydrophobicContact CB-CB 4.08Å
208R85.2Confident84.1Confident127 Ų12788 Ų8848%0.47942%0.417SS..Hα-helixtrans-59.5-46.6174-72.3169.4177.9166.6-6.5112.2A204 D205 A210 A211 L212 A292A204-R208 WeakPolarHBondContact O-CG 3.35Å; A204-R208 PolarHBondContact O-N 2.91Å; D205-R208 PolarHBondContact O-N 3.39Å; D205-R208 IonicContact OD1-CZ 2.95Å; D205-R208 IonicContact OD1-NH1 3.24Å; D205-R208 PolarHBondContact OD1-NH1 2.91Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 2.76Å; R208-A211 PolarHBondContact O-N 3.33Å; R208-L212 WeakPolarHBondContact O-CG 3.15Å; R208-L212 PolarHBondContact O-N 3.21Å; R208-A292 HydrophobicContact CG-CB 4.44Å
209R86.1Confident84.2Confident178 Ų17890.6 Ų90.667%0.67243%0.428SS*.Hα-helixtrans-62.6-36.6176.1-73173-175.6178.53.6112D205 K206 Q207 R213D205-R209 WeakPolarHBondContact O-CB 3.46Å; D205-R209 VanDerWaalsContact O-CG 3.23Å; D205-R209 WeakPolarHBondContact O-CG 3.35Å; D205-R209 PolarHBondContact O-N 3.17Å; K206-R209 PolarHBondContact O-N 3.3Å; Q207-R209 PolarHBondContact O-N 3.24Å; R209-R213 WeakPolarHBondContact O-CB 3.36Å; R209-R213 VanDerWaalsContact O-CG 3.26Å; R209-R213 WeakPolarHBondContact O-CG 3.23Å; R209-R213 PolarHBondContact O-N 3.19Å
210A83.7Confident84.4Confident59 Ų5989.9 Ų89.949%0.48843%0.428SS..Hα-helixtrans-68.8-42.6175.200000111.7K206 Q207 R208 R213 S214K206-A210 WeakPolarHBondContact O-CB 3.41Å; K206-A210 PolarHBondContact O-N 2.83Å; Q207-A210 PolarHBondContact O-N 2.79Å; R208-A210 VanDerWaalsContact C-N 3.3Å; R208-A210 PolarHBondContact O-N 2.76Å; A210-R213 CarbonylContact O-C 3.42Å; A210-R213 WeakPolarHBondContact O-CA 3.48Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.87Å; A210-R213 VanDerWaalsContact O-N 3.08Å; A210-S214 PolarHBondContact O-N 3.02Å; A210-S214 VanDerWaalsContact O-N 3.15Å
211A84.3Confident84.5Confident2 Ų291.9 Ų91.92%0.01743%0.431CS..Hα-helixtrans-61.5-44.6175.200000111.4Q207 R208 R213 S214 I217 A292Q207-A211 WeakPolarHBondContact O-CB 3.31Å; Q207-A211 PolarHBondContact O-N 3.35Å; R208-A211 PolarHBondContact O-N 3.33Å; A211-R213 PolarHBondContact O-N 3.46Å; A211-S214 WeakPolarHBondContact O-CB 3.38Å; A211-S214 PolarHBondContact O-N 2.95Å; A211-S214 PolarHBondContact O-OG 3.36Å; A211-I217 WeakPolarHBondContact O-CD1 3.48Å; A211-A292 HydrophobicContact CB-CB 4.44Å
212L83.6Confident84.4Confident91 Ų9189.4 Ų89.448%0.47642%0.422SS..Hα-helixtrans-63.2-23173.8-70.3174.3000113.8R208 S214 I217 L293R208-L212 WeakPolarHBondContact O-CG 3.15Å; R208-L212 PolarHBondContact O-N 3.21Å; L212-S214 VanDerWaalsContact C-N 3.35Å; L212-I217 HydrophobicContact CD2-CG2 4.19Å; L212-L293 HydrophobicContact CD2-CD1 3.75Å; L212-L293 HydrophobicContact CD2-CD2 3.8Å; L212-L293 HydrophobicContact CD2-CG 4.47Å; L212-L293 HydrophobicContact CG-CD1 4.04Å
213R79.9Confident84.5Confident207 Ų20790.9 Ų90.978%0.78143%0.429SS*.THydrogen-bonded Turntrans-91.54.1174.8-74.4177.1168.9-176.5-2.6113R209 A210 A211R209-R213 WeakPolarHBondContact O-CB 3.36Å; R209-R213 VanDerWaalsContact O-CG 3.26Å; R209-R213 WeakPolarHBondContact O-CG 3.23Å; R209-R213 PolarHBondContact O-N 3.19Å; A210-R213 CarbonylContact O-C 3.42Å; A210-R213 WeakPolarHBondContact O-CA 3.48Å; A210-R213 WeakPolarHBondContact O-CB 3.39Å; A210-R213 PolarHBondContact O-N 2.87Å; A210-R213 VanDerWaalsContact O-N 3.08Å; A211-R213 PolarHBondContact O-N 3.46Å
214S82.3Confident84.7Confident5 Ų595.5 Ų95.54%0.03544%0.44CS..SBendtrans-61.1149.6171.5660000110.9A210 A211 L212 V216 I217 Q218 S288A210-S214 PolarHBondContact O-N 3.02Å; A210-S214 VanDerWaalsContact O-N 3.15Å; A211-S214 WeakPolarHBondContact O-CB 3.38Å; A211-S214 PolarHBondContact O-N 2.95Å; A211-S214 PolarHBondContact O-OG 3.36Å; L212-S214 VanDerWaalsContact C-N 3.35Å; S214-V216 VanDerWaalsContact C-N 3.31Å; S214-V216 PolarHBondContact O-N 2.84Å; S214-I217 PolarHBondContact O-N 3.49Å; S214-I217 VanDerWaalsContact OG-CB 3.3Å; S214-I217 WeakPolarHBondContact OG-CB 3.49Å; S214-I217 WeakPolarHBondContact OG-CD1 3.49Å; S214-I217 WeakPolarHBondContact OG-CG1 3.38Å; S214-I217 PolarHBondContact OG-N 3.42Å; S214-Q218 WeakPolarHBondContact O-CB 3.46Å; S214-Q218 PolarHBondContact O-N 3.36Å; S214-S288 WeakPolarHBondContact CB-OG 3.3Å
215S78.6Confident84.8Confident60 Ų6096 Ų9642%0.4244%0.442SS..Hα-helixtrans-57.4-45.7177.345.30000111.4Q218 E219S215-Q218 PolarHBondContact O-N 2.82Å; S215-E219 WeakPolarHBondContact O-CB 3.29Å; S215-E219 PolarHBondContact O-N 3.16Å
216V82.6Confident85Confident42 Ų42101.3 Ų101.326%0.25547%0.47SS..Hα-helixtrans-59.5-49.7-179.4-179.90000111.7S214 Q218 E219 L220 F287 I290S214-V216 VanDerWaalsContact C-N 3.31Å; S214-V216 PolarHBondContact O-N 2.84Å; V216-Q218 VanDerWaalsContact C-N 3.35Å; V216-E219 PolarHBondContact O-N 3.41Å; V216-L220 HydrophobicContact CG1-CD1 4.3Å; V216-L220 WeakPolarHBondContact O-CG 3.31Å; V216-L220 PolarHBondContact O-N 3.03Å; V216-F287 HydrophobicContact CG2-CD1 3.87Å; V216-F287 HydrophobicContact CG2-CE1 4.37Å; V216-I290 HydrophobicContact CB-CD1 4.31Å; V216-I290 HydrophobicContact CG1-CD1 4.22Å
217I84.6Confident85.1Confident26 Ų2697.6 Ų97.613%0.13347%0.466CS..Hα-helixtrans-70.1-35.2-179.2-68.2167000111.1A211 L212 S214 R221 I290 L293A211-I217 WeakPolarHBondContact O-CD1 3.48Å; L212-I217 HydrophobicContact CD2-CG2 4.19Å; S214-I217 PolarHBondContact O-N 3.49Å; S214-I217 VanDerWaalsContact OG-CB 3.3Å; S214-I217 WeakPolarHBondContact OG-CB 3.49Å; S214-I217 WeakPolarHBondContact OG-CD1 3.49Å; S214-I217 WeakPolarHBondContact OG-CG1 3.38Å; S214-I217 PolarHBondContact OG-N 3.42Å; I217-R221 VanDerWaalsContact O-CB 3.31Å; I217-R221 WeakPolarHBondContact O-CB 3.26Å; I217-R221 PolarHBondContact O-N 3.45Å; I217-I290 HydrophobicContact CD1-CB 4.4Å; I217-I290 HydrophobicContact CD1-CD1 4.24Å; I217-I290 HydrophobicContact CD1-CG1 4.09Å; I217-I290 HydrophobicContact CD1-CG2 3.56Å; I217-I290 HydrophobicContact CG1-CD1 4.25Å; I217-I290 HydrophobicContact CG1-CG2 4.44Å; I217-L293 HydrophobicContact CD1-CD2 3.69Å
218Q82Confident85.2Confident54 Ų5498 Ų9825%0.25248%0.479SS..Hα-helixtrans-67.4-39.5177.9-162.5-168.1-58.700111.8S214 S215 V216 R221 Q222S214-Q218 WeakPolarHBondContact O-CB 3.46Å; S214-Q218 PolarHBondContact O-N 3.36Å; S215-Q218 PolarHBondContact O-N 2.82Å; V216-Q218 VanDerWaalsContact C-N 3.35Å; Q218-R221 PolarHBondContact O-N 3.43Å; Q218-Q222 VanDerWaalsContact O-CG 3.31Å; Q218-Q222 WeakPolarHBondContact O-CG 3.33Å; Q218-Q222 PolarHBondContact O-N 2.97Å
219E84.4Confident84.8Confident111 Ų11196.7 Ų96.752%0.51948%0.478SS..Hα-helixtrans-67.2-44.8176.4-173.4177177.800111.4S215 V216 R221 Q222 Q223S215-E219 WeakPolarHBondContact O-CB 3.29Å; S215-E219 PolarHBondContact O-N 3.16Å; V216-E219 PolarHBondContact O-N 3.41Å; E219-R221 VanDerWaalsContact C-N 3.29Å; E219-R221 PolarHBondContact O-N 3.02Å; E219-Q222 WeakPolarHBondContact O-CB 3.03Å; E219-Q222 PolarHBondContact O-N 3.33Å; E219-Q222 VanDerWaalsContact O-N 3.12Å; E219-Q223 WeakPolarHBondContact O-CG 3.36Å; E219-Q223 PolarHBondContact O-N 3.09Å
220L86.8Confident84.5Confident82 Ų8295.1 Ų95.143%0.42948%0.479SS..Hα-helixtrans-56.8-45.5171.5-72.2172.5000111V216 Q222 Q223 Y224V216-L220 HydrophobicContact CG1-CD1 4.3Å; V216-L220 WeakPolarHBondContact O-CG 3.31Å; V216-L220 PolarHBondContact O-N 3.03Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.25Å; L220-Q223 PolarHBondContact O-N 3.06Å; L220-Y224 VanDerWaalsContact O-CD2 3.26Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å; L220-Y224 PolarHBondContact O-N 3.03Å
221R87.5Confident84.1Confident196 Ų19698.7 Ų98.774%0.7449%0.488SS*.Hα-helixtrans-59.9-38.5177.2-178.8178.7176.1-173.8-0.8112.4I217 Q218 E219 S225I217-R221 VanDerWaalsContact O-CB 3.31Å; I217-R221 WeakPolarHBondContact O-CB 3.26Å; I217-R221 PolarHBondContact O-N 3.45Å; Q218-R221 PolarHBondContact O-N 3.43Å; E219-R221 VanDerWaalsContact C-N 3.29Å; E219-R221 PolarHBondContact O-N 3.02Å; R221-S225 VanDerWaalsContact O-CB 3.26Å; R221-S225 WeakPolarHBondContact O-CB 3.47Å; R221-S225 PolarHBondContact O-N 3.03Å; R221-S225 PolarHBondContact O-OG 2.79Å
222Q85.9Confident83.5Confident75 Ų75103.3 Ų103.335%0.3551%0.505SS..Hα-helixtrans-67-42.4177.9-76.1168-20.600111.6Q218 E219 L220 Y224 S225Q218-Q222 VanDerWaalsContact O-CG 3.31Å; Q218-Q222 WeakPolarHBondContact O-CG 3.33Å; Q218-Q222 PolarHBondContact O-N 2.97Å; E219-Q222 WeakPolarHBondContact O-CB 3.03Å; E219-Q222 PolarHBondContact O-N 3.33Å; E219-Q222 VanDerWaalsContact O-N 3.12Å; L220-Q222 VanDerWaalsContact C-N 3.28Å; L220-Q222 PolarHBondContact O-N 3.25Å; Q222-Y224 VanDerWaalsContact C-N 3.32Å; Q222-Y224 PolarHBondContact O-N 3.21Å; Q222-S225 WeakPolarHBondContact CA-OG 3.39Å; Q222-S225 PolarHBondContact O-N 3.35Å; Q222-S225 PolarHBondContact O-OG 3.37Å
223Q88.9Confident83.1Confident128 Ų128108.2 Ų108.260%0.59853%0.526SS*.Hα-helixtrans-62.7-35.9179-69.9174.89.100113.4E219 L220E219-Q223 WeakPolarHBondContact O-CG 3.36Å; E219-Q223 PolarHBondContact O-N 3.09Å; L220-Q223 PolarHBondContact O-N 3.06Å
224Y89.6Confident82.2Confident198 Ų198105.8 Ų105.878%0.77652%0.523SS*.THydrogen-bonded Turntrans-931.6178.7-71.2-78.3000113.7L220 Q222L220-Y224 VanDerWaalsContact O-CD2 3.26Å; L220-Y224 WeakPolarHBondContact O-CD2 3.39Å; L220-Y224 PolarHBondContact O-N 3.03Å; Q222-Y224 VanDerWaalsContact C-N 3.32Å; Q222-Y224 PolarHBondContact O-N 3.21Å
225S88.2Confident81.2Confident47 Ų47113 Ų11333%0.32955%0.55SS..  trans-99.6128.7177.867.90000111.4R221 Q222 A227R221-S225 VanDerWaalsContact O-CB 3.26Å; R221-S225 WeakPolarHBondContact O-CB 3.47Å; R221-S225 PolarHBondContact O-N 3.03Å; R221-S225 PolarHBondContact O-OG 2.79Å; Q222-S225 WeakPolarHBondContact CA-OG 3.39Å; Q222-S225 PolarHBondContact O-N 3.35Å; Q222-S225 PolarHBondContact O-OG 3.37Å; S225-A227 PolarHBondContact O-N 2.86Å
226D91.1Very high80.4Confident175 Ų175113.4 Ų113.494%0.93655%0.547SS*.  trans-789.5171.6-62.4-25.9000113
227A88.7Confident79.3Confident63 Ų63120 Ų12052%0.52157%0.572SS.*SBendtrans-75.6135.3-179.900000110.2S225 E229S225-A227 PolarHBondContact O-N 2.86Å; A227-E229 PolarHBondContact O-N 3.19Å
228P85.2Confident78.2Confident132 Ų132121.8 Ų121.886%0.85758%0.58SS**PPolyproline II helixtrans-64.5135.7179.926.2-33.9000111.3
229E77.9Confident77.4Confident99 Ų99121.9 Ų121.946%0.46359%0.585SS.*PPolyproline II helixtrans-85137.3174.5-64-162.8149.400111.6A227 I231 R235A227-E229 PolarHBondContact O-N 3.19Å; E229-I231 PolarHBondContact O-N 3.46Å; E229-I231 VanDerWaalsContact O-N 3.11Å; E229-R235 IonicContact OE2-NH2 3.37Å; E229-R235 PolarHBondContact OE2-NH2 3.29Å; E229-R235 VanDerWaalsContact OE2-NH2 3.08Å
230E78.4Confident76.8Confident145 Ų145119.8 Ų119.868%0.67858%0.577SS**  trans-75.897.6170.1-168.4-169.2153.900109.2R232E230-R232 HydrophobicContact CG-CG 4.5Å; E230-R232 IonicContact OE1-CZ 2.79Å; E230-R232 VanDerWaalsContact OE1-CZ 3.25Å; E230-R232 IonicContact OE1-NE 3.95Å; E230-R232 PolarHBondContact OE1-NE 3.11Å; E230-R232 IonicContact OE1-NH2 2.64Å; E230-R232 PolarHBondContact OE1-NH2 3Å; E230-R232 IonicContact OE2-NH2 3.19Å; E230-R232 PolarHBondContact OE2-NH2 3.46Å
231I75.9Confident76.2Confident134 Ų134124.2 Ų124.269%0.68759%0.588SS**  trans-81.2120.3175.6-56.9173.3000108.5E229E229-I231 PolarHBondContact O-N 3.46Å; E229-I231 VanDerWaalsContact O-N 3.11Å
232R71.2Confident75.7Confident100 Ų100116.8 Ų116.838%0.37756%0.561SS.*  trans-107.6151.3173.3-62.3-179.2178.9161.93.2110E230 H234 S243E230-R232 HydrophobicContact CG-CG 4.5Å; E230-R232 IonicContact OE1-CZ 2.79Å; E230-R232 VanDerWaalsContact OE1-CZ 3.25Å; E230-R232 IonicContact OE1-NE 3.95Å; E230-R232 PolarHBondContact OE1-NE 3.11Å; E230-R232 IonicContact OE1-NH2 2.64Å; E230-R232 PolarHBondContact OE1-NH2 3Å; E230-R232 IonicContact OE2-NH2 3.19Å; E230-R232 PolarHBondContact OE2-NH2 3.46Å; R232-H234 PolarHBondContact O-N 2.65Å; R232-H234 VanDerWaalsContact O-N 3.13Å; R232-S243 PolarHBondContact NH1-OG 2.87Å
233E75.3Confident75.5Confident193 Ų193114.6 Ų114.690%0.90256%0.555SS**SBendtrans-60.9-22.3-176.5-67.4-178.2160.200114.3
234H62Low75.2Confident156 Ų156115.4 Ų115.472%0.72255%0.552SS**  trans-122.199.2176.1-70.7-57.7000111.2R232 D236R232-H234 PolarHBondContact O-N 2.65Å; R232-H234 VanDerWaalsContact O-N 3.13Å; H234-D236 PolarHBondContact O-N 3.45Å
235R59.5Low74.9Confident158 Ų158110.8 Ų110.860%0.59654%0.538SS*.  trans-86.691.8172-86.2-176.4165.1-172.9-6110.5E229E229-R235 IonicContact OE2-NH2 3.37Å; E229-R235 PolarHBondContact OE2-NH2 3.29Å; E229-R235 VanDerWaalsContact OE2-NH2 3.08Å
236D63.3Low74.8Confident67 Ų67113.3 Ų113.336%0.35854%0.544SS..  trans-112.2111.9163.5-86.7-44.9000108.5H234 Q238 T239 D240 Q280H234-D236 PolarHBondContact O-N 3.45Å; D236-Q238 PolarHBondContact O-N 3.28Å; D236-T239 HydrophobicContact CB-CG2 3.38Å; D236-T239 WeakPolarHBondContact CB-OG1 3.45Å; D236-T239 WeakPolarHBondContact O-CA 3.26Å; D236-T239 WeakPolarHBondContact O-CB 3.5Å; D236-T239 PolarHBondContact O-N 3.47Å; D236-T239 PolarHBondContact O-OG1 2.86Å; D236-D240 PolarHBondContact O-N 3.08Å; D236-Q280 PolarHBondContact OD1-NE2 3.5Å; D236-Q280 VanDerWaalsContact OD1-NE2 3.13Å
237F59Low74.7Confident181 Ų181109.1 Ų109.179%0.79452%0.521SS*.Hα-helixtrans-53.5-28.4179.9-70.6-82.1000114.2
238Q60.7Low74.7Confident64 Ų64112.7 Ų112.730%0.29953%0.527SS..Hα-helixtrans-74.6-31.2174.2-164.8112.721.800112.5D236 D240 Q242 G279D236-Q238 PolarHBondContact O-N 3.28Å; Q238-D240 VanDerWaalsContact C-N 3.34Å; Q238-Q242 WeakPolarHBondContact O-CG 3.43Å; Q238-Q242 PolarHBondContact O-N 3.21Å; Q238-G279 VanDerWaalsContact OE1-CA 3.25Å; Q238-G279 PolarHBondContact OE1-O 3.49Å
239T65.3Low75Confident56 Ų56109.9 Ų109.934%0.34450%0.499SS..Hα-helixtrans-72.4-29.1177690000111.5D236 R241 Q242 S243D236-T239 HydrophobicContact CB-CG2 3.38Å; D236-T239 WeakPolarHBondContact CB-OG1 3.45Å; D236-T239 WeakPolarHBondContact O-CA 3.26Å; D236-T239 WeakPolarHBondContact O-CB 3.5Å; D236-T239 PolarHBondContact O-N 3.47Å; D236-T239 PolarHBondContact O-OG1 2.86Å; T239-R241 PolarHBondContact O-N 3.44Å; T239-Q242 CarbonylContact O-C 3.54Å; T239-Q242 PolarHBondContact O-N 3.19Å; T239-S243 WeakPolarHBondContact O-CA 3.34Å; T239-S243 WeakPolarHBondContact O-CB 3.47Å; T239-S243 PolarHBondContact O-N 3.2Å
240D72.4Confident75.6Confident67 Ų67110.9 Ų110.936%0.35850%0.502SS..Hα-helixtrans-62.9-46.4178.8-77.8-19.2000112.7D236 Q238 Q242 S243 R244D236-D240 PolarHBondContact O-N 3.08Å; Q238-D240 VanDerWaalsContact C-N 3.34Å; D240-Q242 PolarHBondContact O-N 3.42Å; D240-S243 PolarHBondContact O-N 2.92Å; D240-R244 WeakPolarHBondContact O-CB 3.45Å; D240-R244 WeakPolarHBondContact O-CG 3.45Å; D240-R244 PolarHBondContact O-N 2.9Å
241R74.4Confident76.4Confident175 Ų175107.9 Ų107.966%0.6649%0.491SS*.Hα-helixtrans-62.5-45.6175.6-179.4176.6172.6166.53.1111.2T239 S243 R244 E245T239-R241 PolarHBondContact O-N 3.44Å; R241-S243 VanDerWaalsContact C-N 3.29Å; R241-S243 PolarHBondContact O-N 3.49Å; R241-R244 PolarHBondContact O-N 3.27Å; R241-E245 IonicContact NE-OE1 3.08Å; R241-E245 PolarHBondContact NE-OE1 2.94Å; R241-E245 WeakPolarHBondContact O-CG 3.34Å; R241-E245 PolarHBondContact O-N 3.24Å
242Q77.2Confident77.3Confident39 Ų39105.7 Ų105.718%0.18248%0.476CS..Hα-helixtrans-66.6-32.6178.4-66.8-178.829.600112.1Q238 T239 D240 Q246Q238-Q242 WeakPolarHBondContact O-CG 3.43Å; Q238-Q242 PolarHBondContact O-N 3.21Å; T239-Q242 CarbonylContact O-C 3.54Å; T239-Q242 PolarHBondContact O-N 3.19Å; D240-Q242 PolarHBondContact O-N 3.42Å; Q242-Q246 WeakPolarHBondContact O-CB 3.33Å; Q242-Q246 WeakPolarHBondContact O-CG 3.31Å; Q242-Q246 PolarHBondContact O-N 3.23Å; Q242-Q246 PolarHBondContact O-NE2 3.13Å
243S80.8Confident78.4Confident30 Ų30102.8 Ų102.821%0.2147%0.467CS..Hα-helixtrans-70.9-44.5178.1174.10000110.1R232 T239 D240 R241 E245 Q246 L247R232-S243 PolarHBondContact NH1-OG 2.87Å; T239-S243 WeakPolarHBondContact O-CA 3.34Å; T239-S243 WeakPolarHBondContact O-CB 3.47Å; T239-S243 PolarHBondContact O-N 3.2Å; D240-S243 PolarHBondContact O-N 2.92Å; R241-S243 VanDerWaalsContact C-N 3.29Å; R241-S243 PolarHBondContact O-N 3.49Å; S243-E245 VanDerWaalsContact C-N 3.34Å; S243-E245 PolarHBondContact O-N 3.48Å; S243-Q246 CarbonylContact O-C 3.58Å; S243-Q246 WeakPolarHBondContact O-CB 3.44Å; S243-Q246 PolarHBondContact O-N 2.86Å; S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.47Å; S243-L247 PolarHBondContact O-N 3.31Å
244R83Confident79.3Confident145 Ų145100 Ų10055%0.54745%0.454SS..Hα-helixtrans-58.7-44.9171.8-73.1176.7178.2-178.81.2111.6D240 R241 Q246 L247 H248D240-R244 WeakPolarHBondContact O-CB 3.45Å; D240-R244 WeakPolarHBondContact O-CG 3.45Å; D240-R244 PolarHBondContact O-N 2.9Å; R241-R244 PolarHBondContact O-N 3.27Å; R244-Q246 VanDerWaalsContact C-N 3.35Å; R244-L247 PolarHBondContact O-N 3.43Å; R244-H248 WeakPolarHBondContact O-CB 3.31Å; R244-H248 PolarHBondContact O-N 3.47Å
245E84.4Confident81Confident101 Ų10197 Ų9747%0.47245%0.451SS..Hα-helixtrans-63.8-38.9175.6-73173.3-166.400112.1R241 S243 R249R241-E245 IonicContact NE-OE1 3.08Å; R241-E245 PolarHBondContact NE-OE1 2.94Å; R241-E245 WeakPolarHBondContact O-CG 3.34Å; R241-E245 PolarHBondContact O-N 3.24Å; S243-E245 VanDerWaalsContact C-N 3.34Å; S243-E245 PolarHBondContact O-N 3.48Å; E245-R249 WeakPolarHBondContact O-CB 3.34Å; E245-R249 PolarHBondContact O-N 2.92Å
246Q84.6Confident82.6Confident100 Ų10094.8 Ų94.847%0.46745%0.448SS..Hα-helixtrans-67-41.4174.4-76.3171.747.300112.3Q242 S243 R244 R249 K250Q242-Q246 WeakPolarHBondContact O-CB 3.33Å; Q242-Q246 WeakPolarHBondContact O-CG 3.31Å; Q242-Q246 PolarHBondContact O-N 3.23Å; Q242-Q246 PolarHBondContact O-NE2 3.13Å; S243-Q246 CarbonylContact O-C 3.58Å; S243-Q246 WeakPolarHBondContact O-CB 3.44Å; S243-Q246 PolarHBondContact O-N 2.86Å; R244-Q246 VanDerWaalsContact C-N 3.35Å; Q246-R249 WeakPolarHBondContact O-CB 3.5Å; Q246-R249 PolarHBondContact O-N 2.89Å; Q246-K250 WeakPolarHBondContact O-CG 3.39Å; Q246-K250 PolarHBondContact O-N 3.47Å
247L89.9Confident84Confident86 Ų8699.8 Ų99.845%0.4547%0.472SS..Hα-helixtrans-66.7-45.5178.4-170.9144000110.4S243 R244 R249 K250 N251S243-L247 VanDerWaalsContact O-CB 3.31Å; S243-L247 WeakPolarHBondContact O-CB 3.47Å; S243-L247 PolarHBondContact O-N 3.31Å; R244-L247 PolarHBondContact O-N 3.43Å; L247-R249 PolarHBondContact O-N 3.08Å; L247-K250 PolarHBondContact O-N 3.08Å; L247-K250 VanDerWaalsContact O-N 3.12Å; L247-N251 WeakPolarHBondContact CD2-ND2 3.37Å; L247-N251 PolarHBondContact O-N 3.27Å; L247-N251 PolarHBondContact O-OD1 3.18Å; L247-N251 VanDerWaalsContact O-OD1 3.06Å
248H88.9Confident85.7Confident139 Ų13995.3 Ų95.364%0.64446%0.459SS*.Hα-helixtrans-57-40.9173.2-174.5-83.4000111.8R244 F252R244-H248 WeakPolarHBondContact O-CB 3.31Å; R244-H248 PolarHBondContact O-N 3.47Å; H248-F252 PolarHBondContact O-N 3.38Å; H248-F252 VanDerWaalsContact O-N 3.07Å
249R89.9Confident87.1Confident72 Ų72102.8 Ų102.827%0.27248%0.484SS..Hα-helixtrans-64.8-45.5175.3179.4174.4167.1-168.5-8.2112.2E245 Q246 L247 N251 F252 E253 L260E245-R249 WeakPolarHBondContact O-CB 3.34Å; E245-R249 PolarHBondContact O-N 2.92Å; Q246-R249 WeakPolarHBondContact O-CB 3.5Å; Q246-R249 PolarHBondContact O-N 2.89Å; L247-R249 PolarHBondContact O-N 3.08Å; R249-N251 PolarHBondContact O-N 3.21Å; R249-F252 PolarHBondContact O-N 3.21Å; R249-E253 HydrophobicContact CG-CG 4.32Å; R249-E253 IonicContact CZ-OE1 3.24Å; R249-E253 VanDerWaalsContact CZ-OE1 3.3Å; R249-E253 IonicContact NE-OE1 3.25Å; R249-E253 PolarHBondContact NE-OE1 3.34Å; R249-E253 IonicContact NH2-OE1 2.83Å; R249-E253 PolarHBondContact NH2-OE1 2.98Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 3Å; R249-L260 HydrophobicContact CG-CD1 4.19Å; R249-L260 PolarHBondContact NH2-O 3.08Å
250K91.6Very high88.3Confident120 Ų120103.9 Ų103.952%0.52249%0.488SS..Hα-helixtrans-57.3-48.7175.5-73.7178.3178.8-174.60111.1Q246 L247 F252 E253 E254Q246-K250 WeakPolarHBondContact O-CG 3.39Å; Q246-K250 PolarHBondContact O-N 3.47Å; L247-K250 PolarHBondContact O-N 3.08Å; L247-K250 VanDerWaalsContact O-N 3.12Å; K250-F252 PolarHBondContact O-N 3Å; K250-E253 PolarHBondContact O-N 3.26Å; K250-E253 VanDerWaalsContact O-N 3.09Å; K250-E254 WeakPolarHBondContact O-CB 3.4Å; K250-E254 WeakPolarHBondContact O-CG 3.33Å; K250-E254 PolarHBondContact O-N 3.36Å
251N94.8Very high89.1Confident82 Ų82109.6 Ų109.644%0.43951%0.512SS..Hα-helixtrans-59.1-35.9178.6-64.16.9000112.5L247 R249 S255L247-N251 WeakPolarHBondContact CD2-ND2 3.37Å; L247-N251 PolarHBondContact O-N 3.27Å; L247-N251 PolarHBondContact O-OD1 3.18Å; L247-N251 VanDerWaalsContact O-OD1 3.06Å; R249-N251 PolarHBondContact O-N 3.21Å; N251-S255 VanDerWaalsContact O-CB 3.29Å; N251-S255 WeakPolarHBondContact O-CB 3.3Å; N251-S255 PolarHBondContact O-N 3.38Å; N251-S255 PolarHBondContact O-OG 2.91Å
252F94.8Very high89.7Confident89 Ų89103.8 Ų103.839%0.3950%0.496SS..Hα-helixtrans-71.2-45.7174.5-178.1-86.9000112H248 R249 K250 E254 S255 M256 L260H248-F252 PolarHBondContact O-N 3.38Å; H248-F252 VanDerWaalsContact O-N 3.07Å; R249-F252 PolarHBondContact O-N 3.21Å; K250-F252 PolarHBondContact O-N 3Å; F252-E254 VanDerWaalsContact C-N 3.26Å; F252-E254 PolarHBondContact O-N 2.9Å; F252-S255 WeakPolarHBondContact CA-OG 3.42Å; F252-S255 PolarHBondContact O-N 3.46Å; F252-S255 PolarHBondContact O-OG 3.38Å; F252-M256 HydrophobicContact CE1-CB 4.21Å; F252-M256 HydrophobicContact CE1-CG 4.45Å; F252-M256 HydrophobicContact CZ-CB 4.33Å; F252-M256 HydrophobicContact CZ-CG 4.36Å; F252-M256 VanDerWaalsContact O-CB 3.31Å; F252-M256 WeakPolarHBondContact O-CB 3.32Å; F252-M256 PolarHBondContact O-N 3.22Å; F252-L260 HydrophobicContact CD1-CD1 3.43Å; F252-L260 VanDerWaalsContact CD1-CD1 3.43Å; F252-L260 HydrophobicContact CD1-CG 4.43Å; F252-L260 HydrophobicContact CE1-CD1 3.86Å; F252-L260 HydrophobicContact CE1-CG 4.45Å; F252-L260 HydrophobicContact CG-CD1 4.37Å
253E94.8Very high90.3Very high39 Ų39105 Ų10518%0.18251%0.507CS..Hα-helixtrans-61.6-36.2177.7-67.4-176.5179.400111.5R249 K250 M257 V258 L260R249-E253 HydrophobicContact CG-CG 4.32Å; R249-E253 IonicContact CZ-OE1 3.24Å; R249-E253 VanDerWaalsContact CZ-OE1 3.3Å; R249-E253 IonicContact NE-OE1 3.25Å; R249-E253 PolarHBondContact NE-OE1 3.34Å; R249-E253 IonicContact NH2-OE1 2.83Å; R249-E253 PolarHBondContact NH2-OE1 2.98Å; R249-E253 WeakPolarHBondContact O-CG 3.37Å; R249-E253 PolarHBondContact O-N 3Å; K250-E253 PolarHBondContact O-N 3.26Å; K250-E253 VanDerWaalsContact O-N 3.09Å; E253-M257 CarbonylContact O-C 3.57Å; E253-M257 WeakPolarHBondContact O-CA 3.06Å; E253-M257 PolarHBondContact O-N 2.63Å; E253-V258 WeakPolarHBondContact CA-O 2.86Å; E253-V258 WeakPolarHBondContact CG-O 3.08Å; E253-V258 PolarHBondContact O-N 3.13Å; E253-V258 VanDerWaalsContact O-N 3.17Å; E253-L260 HydrophobicContact CG-CD1 4.09Å; E253-L260 PolarHBondContact OE1-N 3.12Å; E253-L260 VanDerWaalsContact OE1-N 3.09Å
254E94.5Very high90.7Very high134 Ų134113.9 Ų113.963%0.62654%0.536SS*.Hα-helixtrans-72.5-45.7176.3-72.6169-167.600112.3K250 F252 M257K250-E254 WeakPolarHBondContact O-CB 3.4Å; K250-E254 WeakPolarHBondContact O-CG 3.33Å; K250-E254 PolarHBondContact O-N 3.36Å; F252-E254 VanDerWaalsContact C-N 3.26Å; F252-E254 PolarHBondContact O-N 2.9Å; E254-M257 PolarHBondContact O-N 2.76Å
255S96.8Very high90.8Very high93 Ų93113.2 Ų113.265%0.6554%0.544SS*.Hα-helixtrans-69.7-34.6-179.458.70000113.2N251 F252N251-S255 VanDerWaalsContact O-CB 3.29Å; N251-S255 WeakPolarHBondContact O-CB 3.3Å; N251-S255 PolarHBondContact O-N 3.38Å; N251-S255 PolarHBondContact O-OG 2.91Å; F252-S255 WeakPolarHBondContact CA-OG 3.42Å; F252-S255 PolarHBondContact O-N 3.46Å; F252-S255 PolarHBondContact O-OG 3.38Å
256M94.2Very high90.9Very high112 Ų112113.4 Ų113.455%0.55254%0.544SS*.Hα-helixtrans-94.7-7.7178-164.358.261.500112.8F252 V258F252-M256 HydrophobicContact CE1-CB 4.21Å; F252-M256 HydrophobicContact CE1-CG 4.45Å; F252-M256 HydrophobicContact CZ-CB 4.33Å; F252-M256 HydrophobicContact CZ-CG 4.36Å; F252-M256 VanDerWaalsContact O-CB 3.31Å; F252-M256 WeakPolarHBondContact O-CB 3.32Å; F252-M256 PolarHBondContact O-N 3.22Å; M256-V258 HydrophobicContact CG-CB 4.46Å; M256-V258 HydrophobicContact CG-CG2 4.45Å; M256-V258 WeakPolarHBondContact O-CG2 3.45Å; M256-V258 PolarHBondContact O-N 3.01Å
257M92.7Very high90.9Very high172 Ų172117.6 Ų117.685%0.84756%0.556SS**THydrogen-bonded Turntrans50.933.9-174.2-64-171.7-76.300114.3E253 E254E253-M257 CarbonylContact O-C 3.57Å; E253-M257 WeakPolarHBondContact O-CA 3.06Å; E253-M257 PolarHBondContact O-N 2.63Å; E254-M257 PolarHBondContact O-N 2.76Å
258V93.1Very high90.6Very high86 Ų86116.9 Ų116.952%0.52156%0.558SS.*  trans-133.3127.4-178.3173.50000110.5E253 M256E253-V258 WeakPolarHBondContact CA-O 2.86Å; E253-V258 WeakPolarHBondContact CG-O 3.08Å; E253-V258 PolarHBondContact O-N 3.13Å; E253-V258 VanDerWaalsContact O-N 3.17Å; M256-V258 HydrophobicContact CG-CB 4.46Å; M256-V258 HydrophobicContact CG-CG2 4.45Å; M256-V258 WeakPolarHBondContact O-CG2 3.45Å; M256-V258 PolarHBondContact O-N 3.01Å
259R91.8Very high90.2Very high221 Ų221113.2 Ų113.283%0.83455%0.552SS**PPolyproline II helixtrans-74.4130.3175.5-73.8-166-178.6148.51.8112.1
260L90Very high89.7Confident80 Ų80113.5 Ų113.542%0.41956%0.555SS.*PPolyproline II helixtrans-81.7133174.2-83.6140.8000111.3R249 F252 E253R249-L260 HydrophobicContact CG-CD1 4.19Å; R249-L260 PolarHBondContact NH2-O 3.08Å; F252-L260 HydrophobicContact CD1-CD1 3.43Å; F252-L260 VanDerWaalsContact CD1-CD1 3.43Å; F252-L260 HydrophobicContact CD1-CG 4.43Å; F252-L260 HydrophobicContact CE1-CD1 3.86Å; F252-L260 HydrophobicContact CE1-CG 4.45Å; F252-L260 HydrophobicContact CG-CD1 4.37Å; E253-L260 HydrophobicContact CG-CD1 4.09Å; E253-L260 PolarHBondContact OE1-N 3.12Å; E253-L260 VanDerWaalsContact OE1-N 3.09Å
261Q89.3Confident89.1Confident186 Ų186114.9 Ų114.987%0.86956%0.561SS**PPolyproline II helixtrans-83135.3173.4-62.8-175.83.400110.6
262V86.9Confident88.2Confident53 Ų53121.2 Ų121.232%0.32158%0.579SS.*PPolyproline II helixtrans-89.7123.6176.2-1740000109.6E266 R267V262-E266 HydrophobicContact CG1-CB 3.81Å; V262-R267 HydrophobicContact CG1-CB 4.18Å
263P89.7Confident87.1Confident65 Ų65118.3 Ų118.342%0.42257%0.574SS.*PPolyproline II helixtrans-65.5148.7175.127.7-33.7000111N265 E266 R267P263-N265 PolarHBondContact O-N 2.99Å; P263-E266 WeakPolarHBondContact CD-OE2 3.46Å; P263-E266 HydrophobicContact CG-CB 3.95Å; P263-E266 VanDerWaalsContact CG-CD 3.45Å; P263-E266 HydrophobicContact CG-CG 3.71Å; P263-E266 PolarHBondContact O-N 3.3Å; P263-R267 PolarHBondContact O-N 3.45Å; P263-R267 VanDerWaalsContact O-N 3.09Å
264R88.1Confident85.8Confident217 Ų217123.3 Ų123.382%0.81960%0.599SS**Hα-helixtrans-52.5-35.3-177.2-174.1177.9177.4-178.90113.2R267 S268R264-R267 PolarHBondContact O-N 3.15Å; R264-S268 PolarHBondContact O-N 2.83Å; R264-S268 VanDerWaalsContact O-N 3.08Å; R264-S268 PolarHBondContact O-OG 3.18Å
265N86.9Confident84.4Confident131 Ų131123.7 Ų123.770%0.70161%0.605SS**Hα-helixtrans-70-38.5-179.3-62.8-12.5000112.7P263 S268 A269P263-N265 PolarHBondContact O-N 2.99Å; N265-S268 PolarHBondContact O-OG 2.8Å; N265-A269 WeakPolarHBondContact O-CB 3.44Å; N265-A269 PolarHBondContact O-N 2.98Å; N265-A269 VanDerWaalsContact O-N 3.08Å
266E85.3Confident82.8Confident104 Ų104120.6 Ų120.649%0.48659%0.587SS.*Hα-helixtrans-72.2-37175.1-75.1178.1-164.100111.2V262 P263 S268 A269 K270V262-E266 HydrophobicContact CG1-CB 3.81Å; P263-E266 WeakPolarHBondContact CD-OE2 3.46Å; P263-E266 HydrophobicContact CG-CB 3.95Å; P263-E266 VanDerWaalsContact CG-CD 3.45Å; P263-E266 HydrophobicContact CG-CG 3.71Å; P263-E266 PolarHBondContact O-N 3.3Å; E266-S268 VanDerWaalsContact C-N 3.31Å; E266-S268 PolarHBondContact O-N 3.43Å; E266-A269 PolarHBondContact O-N 2.65Å; E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 WeakPolarHBondContact O-CG 3.44Å; E266-K270 PolarHBondContact O-N 3.11Å
267R84.6Confident81.2Confident189 Ų189122.4 Ų122.471%0.71360%0.596SS**Hα-helixtrans-61.1-40.6175.7-169.6176.9-179.9-176.90.1111.7V262 P263 R264 K271V262-R267 HydrophobicContact CG1-CB 4.18Å; P263-R267 PolarHBondContact O-N 3.45Å; P263-R267 VanDerWaalsContact O-N 3.09Å; R264-R267 PolarHBondContact O-N 3.15Å; R267-K271 PolarHBondContact O-N 2.98Å; R267-K271 VanDerWaalsContact O-N 3.13Å
268S83.1Confident79.7Confident71 Ų71119 Ų11950%0.49759%0.589SS.*Hα-helixtrans-71.9-38.4176.565.50000112.5R264 N265 E266 K271 R272R264-S268 PolarHBondContact O-N 2.83Å; R264-S268 VanDerWaalsContact O-N 3.08Å; R264-S268 PolarHBondContact O-OG 3.18Å; N265-S268 PolarHBondContact O-OG 2.8Å; E266-S268 VanDerWaalsContact C-N 3.31Å; E266-S268 PolarHBondContact O-N 3.43Å; S268-K271 PolarHBondContact O-N 2.9Å; S268-R272 WeakPolarHBondContact O-CB 3.48Å; S268-R272 PolarHBondContact O-N 3.28Å
269A80.9Confident78.3Confident61 Ų61115.5 Ų115.550%0.50457%0.571SS.*Hα-helixtrans-62.1-44.2174.700000112N265 E266 R272 G273N265-A269 WeakPolarHBondContact O-CB 3.44Å; N265-A269 PolarHBondContact O-N 2.98Å; N265-A269 VanDerWaalsContact O-N 3.08Å; E266-A269 PolarHBondContact O-N 2.65Å; A269-R272 PolarHBondContact O-N 3Å; A269-G273 PolarHBondContact O-N 3.39Å
270K79Confident76.9Confident79 Ų79108.5 Ų108.534%0.34355%0.548SS..Hα-helixtrans-60.2-47.7174.7-75.1178.5178.5-1780111.8E266 R272 G273 M274E266-K270 WeakPolarHBondContact O-CB 3.41Å; E266-K270 WeakPolarHBondContact O-CG 3.44Å; E266-K270 PolarHBondContact O-N 3.11Å; K270-R272 PolarHBondContact O-N 3.22Å; K270-G273 PolarHBondContact O-N 3.04Å; K270-G273 VanDerWaalsContact O-N 3.11Å; K270-M274 WeakPolarHBondContact O-CG 3.4Å; K270-M274 PolarHBondContact O-N 3.13Å
271K79.8Confident75.9Confident149 Ų149110.4 Ų110.465%0.64856%0.558SS**Hα-helixtrans-58.6-37.7176.7-170.5175.2-178.6179.30112R267 S268 L275R267-K271 PolarHBondContact O-N 2.98Å; R267-K271 VanDerWaalsContact O-N 3.13Å; S268-K271 PolarHBondContact O-N 2.9Å; K271-L275 HydrophobicContact CG-CD1 4.35Å; K271-L275 WeakPolarHBondContact O-CD1 3.26Å; K271-L275 PolarHBondContact O-N 3.27Å
272R76.4Confident74.8Confident214 Ų214103.1 Ų103.181%0.80853%0.527SS*.Hα-helixtrans-72.8-34.1177.6-156.8176.9-171.21792.4112.7S268 A269 K270S268-R272 WeakPolarHBondContact O-CB 3.48Å; S268-R272 PolarHBondContact O-N 3.28Å; A269-R272 PolarHBondContact O-N 3Å; K270-R272 PolarHBondContact O-N 3.22Å
273G70.2Confident73.8Confident28 Ų28102.5 Ų102.529%0.28953%0.531SS..Hα-helixtrans-71.7-26.2174.800000114A269 K270A269-G273 PolarHBondContact O-N 3.39Å; K270-G273 PolarHBondContact O-N 3.04Å; K270-G273 VanDerWaalsContact O-N 3.11Å
274M68.3Low72.9Confident145 Ų145105 Ų10571%0.71454%0.54SS*.Hα-helixtrans-81.5-25.5175.9-70.117972.700113.7K270K270-M274 WeakPolarHBondContact O-CG 3.4Å; K270-M274 PolarHBondContact O-N 3.13Å
275L65.8Low72.1Confident142 Ų14299.5 Ų99.574%0.74353%0.531SS*.SBendtrans-96.1-2.5-172.9-10185.5000115.1K271K271-L275 HydrophobicContact CG-CD1 4.35Å; K271-L275 WeakPolarHBondContact O-CD1 3.26Å; K271-L275 PolarHBondContact O-N 3.27Å
276G62.6Low71.1Confident27 Ų27101.1 Ų101.128%0.27853%0.527SS..  trans-125.5113.5-171.200000114.1S278 G279G276-S278 PolarHBondContact O-N 3.02Å; G276-S278 VanDerWaalsContact O-N 3.09Å; G276-G279 PolarHBondContact O-N 2.98Å; G276-G279 VanDerWaalsContact O-N 3.15Å
277M60.7Low70.3Confident150 Ų150103.4 Ų103.474%0.73954%0.536SS*.THydrogen-bonded Turntrans-58.5-18.4169.8-67.2-179.371.800113.3G279 Q280M277-G279 PolarHBondContact O-N 3.13Å; M277-Q280 WeakPolarHBondContact O-CB 3.34Å; M277-Q280 PolarHBondContact O-N 3.11Å; M277-Q280 VanDerWaalsContact O-N 3.09Å
278S61.5Low69.6Low100 Ų10096.7 Ų96.770%0.69952%0.518SS*.Hα-helixtrans-62.6-22.1175.663.30000113.7G276G276-S278 PolarHBondContact O-N 3.02Å; G276-S278 VanDerWaalsContact O-N 3.09Å
279G63.3Low69Low14 Ų1498.8 Ų98.814%0.14452%0.523CS..Hα-helixtrans-68.7-40.3172.700000112.4Q238 G276 M277 L281 S282Q238-G279 VanDerWaalsContact OE1-CA 3.25Å; Q238-G279 PolarHBondContact OE1-O 3.49Å; G276-G279 PolarHBondContact O-N 2.98Å; G276-G279 VanDerWaalsContact O-N 3.15Å; M277-G279 PolarHBondContact O-N 3.13Å; G279-L281 VanDerWaalsContact C-N 3.31Å; G279-L281 PolarHBondContact O-N 3.15Å; G279-S282 WeakPolarHBondContact O-CB 3.39Å; G279-S282 PolarHBondContact O-N 3.11Å; G279-S282 PolarHBondContact O-OG 3.38Å
280Q62.4Low68.6Low73 Ų7398.2 Ų98.234%0.34151%0.511SS..Hα-helixtrans-60.6-41.3-173.9-66.6167.9-48.900111.1D236 M277 S282 G283 I284D236-Q280 PolarHBondContact OD1-NE2 3.5Å; D236-Q280 VanDerWaalsContact OD1-NE2 3.13Å; M277-Q280 WeakPolarHBondContact O-CB 3.34Å; M277-Q280 PolarHBondContact O-N 3.11Å; M277-Q280 VanDerWaalsContact O-N 3.09Å; Q280-S282 VanDerWaalsContact C-N 3.27Å; Q280-S282 PolarHBondContact O-N 3.08Å; Q280-G283 PolarHBondContact O-N 3.02Å; Q280-I284 WeakPolarHBondContact O-CD1 3.29Å
281L69.4Low68.6Low121 Ų12197.4 Ų97.463%0.63451%0.513SS*.Hα-helixtrans-68.7-24.5176.7-59177.5000113.3G279 G283 I284 T285G279-L281 VanDerWaalsContact C-N 3.31Å; G279-L281 PolarHBondContact O-N 3.15Å; L281-G283 VanDerWaalsContact C-N 3.32Å; L281-G283 PolarHBondContact O-N 3.09Å; L281-I284 HydrophobicContact CD2-CD1 4.48Å; L281-I284 PolarHBondContact O-N 2.93Å; L281-T285 PolarHBondContact O-N 3.5Å; L281-T285 PolarHBondContact O-OG1 3.09Å
282S66.4Low68.5Low33 Ų3391.9 Ų91.923%0.23150%0.495CS..Hα-helixtrans-78.4-14179.581.70000114.1G279 Q280 R286G279-S282 WeakPolarHBondContact O-CB 3.39Å; G279-S282 PolarHBondContact O-N 3.11Å; G279-S282 PolarHBondContact O-OG 3.38Å; Q280-S282 VanDerWaalsContact C-N 3.27Å; Q280-S282 PolarHBondContact O-N 3.08Å; S282-R286 WeakPolarHBondContact O-CD 3.4Å; S282-R286 WeakPolarHBondContact O-CG 3.37Å; S282-R286 PolarHBondContact O-NE 2.96Å; S282-R286 VanDerWaalsContact O-NE 3.08Å
283G66.4Low68.5Low39 Ų3985.8 Ų85.840%0.40248%0.478SS..Hα-helixtrans-79.6-33.7171.500000111.9Q280 L281Q280-G283 PolarHBondContact O-N 3.02Å; L281-G283 VanDerWaalsContact C-N 3.32Å; L281-G283 PolarHBondContact O-N 3.09Å
284I70.8Confident68.7Low118 Ų11889.6 Ų89.661%0.60550%0.496SS*.Hα-helixtrans-76.5-30.7-178.1-63.4150.1000111.2Q280 L281Q280-I284 WeakPolarHBondContact O-CD1 3.29Å; L281-I284 HydrophobicContact CD2-CD1 4.48Å; L281-I284 PolarHBondContact O-N 2.93Å
285T69.9Low68.7Low102 Ų10286.2 Ų86.263%0.62650%0.498SS*.SBendtrans-90.3-1.9179.257.40000114.6L281 F287L281-T285 PolarHBondContact O-N 3.5Å; L281-T285 PolarHBondContact O-OG1 3.09Å; T285-F287 PolarHBondContact O-N 3.08Å
286R66.6Low68.6Low165 Ų16581.5 Ų81.562%0.62348%0.484SS*.  trans-90.779.6176-79178.7-146.4-111.94.2110.9S282 S288S282-R286 WeakPolarHBondContact O-CD 3.4Å; S282-R286 WeakPolarHBondContact O-CG 3.37Å; S282-R286 PolarHBondContact O-NE 2.96Å; S282-R286 VanDerWaalsContact O-NE 3.08Å; R286-S288 PolarHBondContact O-N 2.67Å
287F68.3Low68.2Low152 Ų15289.7 Ų89.767%0.66752%0.515SS*.  trans-74.882.9158-53.7-79.5000106.9V216 T285V216-F287 HydrophobicContact CG2-CD1 3.87Å; V216-F287 HydrophobicContact CG2-CE1 4.37Å; T285-F287 PolarHBondContact O-N 3.08Å
288S68.8Low67.7Low48 Ų4884.8 Ų84.834%0.33650%0.502SS..  trans-61.3144.6177.354.30000110.2S214 R286 I290S214-S288 WeakPolarHBondContact CB-OG 3.3Å; R286-S288 PolarHBondContact O-N 2.67Å; S288-I290 VanDerWaalsContact O-CG1 3.29Å; S288-I290 WeakPolarHBondContact O-CG1 3.22Å; S288-I290 PolarHBondContact O-N 2.99Å
289D71.3Confident67.1Low114 Ų11488.3 Ų88.361%0.6151%0.508SS*.  trans-50.6107.5-178.1-56.5-22.3000112.7
290I73.6Confident66.3Low49 Ų4995.3 Ų95.325%0.25154%0.542SS..  trans-86.7-1.3173.9-50.3175.4000110.4V216 I217 S288 A292 L293 T294V216-I290 HydrophobicContact CB-CD1 4.31Å; V216-I290 HydrophobicContact CG1-CD1 4.22Å; I217-I290 HydrophobicContact CD1-CB 4.4Å; I217-I290 HydrophobicContact CD1-CD1 4.24Å; I217-I290 HydrophobicContact CD1-CG1 4.09Å; I217-I290 HydrophobicContact CD1-CG2 3.56Å; I217-I290 HydrophobicContact CG1-CD1 4.25Å; I217-I290 HydrophobicContact CG1-CG2 4.44Å; S288-I290 VanDerWaalsContact O-CG1 3.29Å; S288-I290 WeakPolarHBondContact O-CG1 3.22Å; S288-I290 PolarHBondContact O-N 2.99Å; I290-A292 PolarHBondContact O-N 2.77Å; I290-A292 VanDerWaalsContact O-N 3.08Å; I290-L293 HydrophobicContact CG2-CB 3.98Å; I290-L293 HydrophobicContact CG2-CD2 4.47Å; I290-L293 WeakPolarHBondContact O-CA 3.34Å; I290-L293 WeakPolarHBondContact O-CB 3.44Å; I290-L293 PolarHBondContact O-N 2.88Å; I290-T294 HydrophobicContact CG2-CG2 4.37Å; I290-T294 PolarHBondContact O-N 3.16Å; I290-T294 VanDerWaalsContact O-N 3.11Å; I290-T294 PolarHBondContact O-OG1 2.97Å; I290-T294 VanDerWaalsContact O-OG1 3.13Å
291T77.8Confident65.8Low63 Ų6396.4 Ų96.439%0.38755%0.553SS.*Hα-helixtrans-51.5-36.3-178.253.30000112.7L293 G295T291-L293 PolarHBondContact O-N 2.92Å; T291-G295 PolarHBondContact O-N 3.26Å; T291-G295 VanDerWaalsContact O-N 3.11Å
292A78.2Confident64.5Low33 Ų3398 Ų9827%0.27356%0.563SS.*Hα-helixtrans-63.3-19.1175.700000114.5Q207 R208 A211 I290Q207-A292 HydrophobicContact CB-CB 4.08Å; R208-A292 HydrophobicContact CG-CB 4.44Å; A211-A292 HydrophobicContact CB-CB 4.44Å; I290-A292 PolarHBondContact O-N 2.77Å; I290-A292 VanDerWaalsContact O-N 3.08Å
293L75.5Confident63.3Low85 Ų85103.1 Ų103.145%0.44559%0.587SS.*Hα-helixtrans-104.9-36.9-179.2-156.876.5000112.5L212 I217 I290 T291L212-L293 HydrophobicContact CD2-CD1 3.75Å; L212-L293 HydrophobicContact CD2-CD2 3.8Å; L212-L293 HydrophobicContact CD2-CG 4.47Å; L212-L293 HydrophobicContact CG-CD1 4.04Å; I217-L293 HydrophobicContact CD1-CD2 3.69Å; I290-L293 HydrophobicContact CG2-CB 3.98Å; I290-L293 HydrophobicContact CG2-CD2 4.47Å; I290-L293 WeakPolarHBondContact O-CA 3.34Å; I290-L293 WeakPolarHBondContact O-CB 3.44Å; I290-L293 PolarHBondContact O-N 2.88Å; T291-L293 PolarHBondContact O-N 2.92Å
294T75.6Confident62.3Low109 Ų109107 Ų10767%0.66961%0.606SS**Hα-helixtrans-83.6-8.7179.738.20000113.8I290 G296I290-T294 HydrophobicContact CG2-CG2 4.37Å; I290-T294 PolarHBondContact O-N 3.16Å; I290-T294 VanDerWaalsContact O-N 3.11Å; I290-T294 PolarHBondContact O-OG1 2.97Å; I290-T294 VanDerWaalsContact O-OG1 3.13Å; T294-G296 PolarHBondContact O-N 3.34Å
295G67.7Low60.7Low73 Ų73103.2 Ų103.275%0.75360%0.595SS**  trans64.88.4176.100000114.4T291T291-G295 PolarHBondContact O-N 3.26Å; T291-G295 VanDerWaalsContact O-N 3.11Å
296G63.1Low59.3Low43 Ų43104.4 Ų104.444%0.44361%0.605SS.*  trans-73.1139.5174.900000110.7T294 G298T294-G296 PolarHBondContact O-N 3.34Å; G296-G298 PolarHBondContact O-N 3.36Å
297E55.5Low58.3Low200 Ų200106.1 Ų106.194%0.93562%0.617SS**  trans-56.6109.1166.9-67.4-173.8157.900108.1Q299E297-Q299 PolarHBondContact O-N 3.36Å; E297-Q299 VanDerWaalsContact O-N 3.09Å
298G50.4Low57.1Low46 Ų46108.4 Ų108.447%0.47463%0.627SS.*  trans-63.5113-176.200000110.4G296 D300G296-G298 PolarHBondContact O-N 3.36Å; G298-D300 PolarHBondContact O-N 3.34Å
299Q47.6Very low55.8Low175 Ų175115.8 Ų115.882%0.81865%0.653SS**  trans-65.7112.6157.9-165.8169.524.800106.4E297 T301E297-Q299 PolarHBondContact O-N 3.36Å; E297-Q299 VanDerWaalsContact O-N 3.09Å; Q299-T301 VanDerWaalsContact C-N 3.26Å; Q299-T301 PolarHBondContact O-N 3.45Å
300D47.9Very low54.7Low160 Ų160119.7 Ų119.786%0.85666%0.664SS**  trans-59.386.1175.7-82.4-36.8000110.1G298G298-D300 PolarHBondContact O-N 3.34Å
301T50.7Low53.4Low96 Ų96127.3 Ų127.359%0.58970%0.696SS**  trans-101.511116154.60000107.7Q299Q299-T301 VanDerWaalsContact C-N 3.26Å; Q299-T301 PolarHBondContact O-N 3.45Å
302D42.3Very low51.8Low154 Ų154133.3 Ų133.382%0.82472%0.716SS**  trans83.166.5166.9-56.3-32.5000118.4P304D302-P304 WeakPolarHBondContact O-CD 3.49Å
303N42.2Very low50.5Low141 Ų141139.8 Ų139.875%0.75475%0.745SS**  trans-82.4109150.7-179.228.8000111G305N303-G305 WeakPolarHBondContact OD1-CA 3.1Å; N303-G305 PolarHBondContact OD1-N 3.26Å
304P44.5Very low49.2Very low122 Ų122143.6 Ų143.679%0.79276%0.763SS**  trans-103.464.9150.936.9-30.1000109.3D302D302-P304 WeakPolarHBondContact O-CD 3.49Å
305G38.3Very low48Very low37 Ų37147.6 Ų147.638%0.38177%0.771SS.*  trans-60.6152.4157.300000110.4N303 K307N303-G305 WeakPolarHBondContact OD1-CA 3.1Å; N303-G305 PolarHBondContact OD1-N 3.26Å; G305-K307 PolarHBondContact O-N 3.2Å
306P40.8Very low47.1Very low127 Ų127153.7 Ų153.783%0.82578%0.777SS**  trans-65.2123.6-154.126.1-34000112.2K308P306-K308 PolarHBondContact O-N 3.09Å
307K44.1Very low46.3Very low201 Ų201160.9 Ų160.987%0.87480%0.796SS**  trans-53.8105.9164.8-69.5-175.6-1791790108.4G305 K309G305-K307 PolarHBondContact O-N 3.2Å; K307-K309 PolarHBondContact O-N 3.26Å
308K43.4Very low46Very low201 Ų201157.6 Ų157.687%0.87479%0.79SS**  trans-53.1109.1163.2-71.9-177.7-179.1175.40106.4P306 K310P306-K308 PolarHBondContact O-N 3.09Å; K308-K310 PolarHBondContact O-N 2.77Å
309K42.7Very low46Very low203 Ų203164.6 Ų164.688%0.88381%0.807SS**  trans-58.1112.4175.5-72.1-174.8-179.7177.40107.2K307 K311K307-K309 PolarHBondContact O-N 3.26Å; K309-K311 PolarHBondContact O-N 3.22Å; K309-K311 VanDerWaalsContact O-N 3.16Å
310K47.2Very low46Very low195 Ų195167.6 Ų167.685%0.84881%0.811SS**  trans-48.1123165.1-74.6-177.1176.5-179.20107K308 K312K308-K310 PolarHBondContact O-N 2.77Å; K310-K312 PolarHBondContact O-N 3.12Å; K310-K312 VanDerWaalsContact O-N 3.1Å
311K46.1Very low45.9Very low210 Ų210169.3 Ų169.391%0.91381%0.811SS**  trans-51.5121.2170-78.6-178.8177.2176.20107K309 L313K309-K311 PolarHBondContact O-N 3.22Å; K309-K311 VanDerWaalsContact O-N 3.16Å; K311-L313 PolarHBondContact O-N 3.1Å; K311-L313 VanDerWaalsContact O-N 3.12Å
312K44.6Very low45.5Very low188 Ų188169.1 Ų169.182%0.81782%0.819SS**  trans-61.2115.4173-74.2-171.8175.9-175.10107.7K310 M314K310-K312 PolarHBondContact O-N 3.12Å; K310-K312 VanDerWaalsContact O-N 3.1Å; K312-M314 PolarHBondContact O-N 3.05Å
313L50.3Low45.7Very low169 Ų169171.2 Ų171.289%0.88582%0.821SS**  trans-63.3101.6165.6-17471.4000107.2K311K311-L313 PolarHBondContact O-N 3.1Å; K311-L313 VanDerWaalsContact O-N 3.12Å
314M48.2Very low45.9Very low166 Ų166175.9 Ų175.982%0.81883%0.828SS**  trans-85117.1171-71.7-66.4-83.500108.5K312K312-M314 PolarHBondContact O-N 3.05Å
315K50Low45.9Very low192 Ų192185.6 Ų185.684%0.83585%0.849SS**  trans-43.3138.8-178.3-68171.4172.4179.60113.1K317K315-K317 PolarHBondContact O-N 3.23Å
316K50Low46.3Very low202 Ų202193 Ų19388%0.87887%0.872SS**  trans-45.6120.8165.9-84.1177.4172.8176.60109.7T318K316-T318 PolarHBondContact O-N 3.2Å
317K46.5Very low46.6Very low193 Ų193196.5 Ų196.584%0.83988%0.875SS**  trans-84.998161-76.6-170.9176.3-177.40107.8K315 K319K315-K317 PolarHBondContact O-N 3.23Å; K317-K319 PolarHBondContact O-N 3.43Å
318T48.5Very low46.7Very low131 Ų131196.2 Ų196.280%0.80488%0.875SS**  trans-64.8106.916236.70000108.4K316 R320K316-T318 PolarHBondContact O-N 3.2Å; T318-R320 PolarHBondContact O-N 3.39Å
319K50.6Low46.9Very low193 Ų193195.9 Ų195.984%0.83988%0.875SS**  trans-90.2100.5166.3-78.7-169.5178.6-177.10108.8K317K317-K319 PolarHBondContact O-N 3.43Å
320R47.8Very low47.2Very low238 Ų238195.5 Ų195.590%0.89887%0.874SS**  trans28.9124141.2-57179.399.8172.74.7118.5T318 A322T318-R320 PolarHBondContact O-N 3.39Å; R320-A322 PolarHBondContact O-N 3.48Å
321K45.7Very low47.2Very low196 Ų196195.5 Ų195.585%0.85288%0.876SS**  trans-17.8115.9150.6-101.2175.7168.6179.80113.3
322A42.8Very low47.3Very low93 Ų93194.5 Ų194.577%0.76987%0.874SS**PPolyproline II helixtrans-78.2122.4152.800000107.6R320 R324R320-A322 PolarHBondContact O-N 3.48Å; A322-R324 PolarHBondContact O-N 3.45Å
323F44.8Very low47.5Very low198 Ų198195 Ų19587%0.86888%0.878SS**PPolyproline II helixtrans-68.1122.2159.3-90.4-94.9000107.1
324R47.8Very low47.2Very low238 Ų238197.2 Ų197.290%0.89888%0.877SS**PPolyproline II helixtrans-85.1152.6158.5-92.9-178.5155.7-172.4-6.7107.9A322A322-R324 PolarHBondContact O-N 3.45Å
325R44.1Very low47.1Very low326 Ų326200 Ų200100%1.2388%0.883SS**  trans-270178.9-73.2179172.1179.7-3.7115.3

Retrieved 325 of 325 residues in 177.7 ms (Link to these results)