A0A5K4F3A2_SCHMA Loading...

RH1 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F3A2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 171 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
1M37.1Very low46.9Very low236 Ų236135.8 Ų135.8100%1.16377%0.774SS**  0120.30-64.9-172.8-13600106.8V3M1-V3 PolarHBondContact O-N 2.95Å; M1-V3 VanDerWaalsContact O-N 3.07Å
2C41.9Very low47Very low137 Ų137140.8 Ų140.893%0.92678%0.78SS**  trans-68.6102.5176.7-63.70000108.4E4C2-E4 PolarHBondContact O-N 2.91Å
3V54.8Low46.9Very low119 Ų119142.8 Ų142.872%0.72178%0.78SS**  trans-79.2110.7172.6176.60000106.5M1 L5M1-V3 PolarHBondContact O-N 2.95Å; M1-V3 VanDerWaalsContact O-N 3.07Å; V3-L5 PolarHBondContact O-N 2.88Å
4E47.8Very low47.2Very low171 Ų171144.6 Ų144.680%0.79978%0.781SS**  trans-62.498.6173.5-73.9178.215800109.6C2 Y6C2-E4 PolarHBondContact O-N 2.91Å; E4-Y6 PolarHBondContact O-N 3.49Å
5L48.6Very low47.3Very low145 Ų145140.3 Ų140.376%0.75977%0.766SS**  trans-78.256.4162.4-68.1174.5000109.3V3V3-L5 PolarHBondContact O-N 2.88Å
6Y42.4Very low47.5Very low161 Ų161139.3 Ų139.363%0.63177%0.77SS**  trans-109.980.5177.7-116.2-89.9000109.1E4 Q13E4-Y6 PolarHBondContact O-N 3.49Å; Y6-Q13 WeakPolarHBondContact OH-CA 3.25Å
7A47.8Very low47.7Very low95 Ų95136.4 Ų136.479%0.78576%0.762SS**SBendtrans-154.5-15.1165.600000116.8
8F48.4Very low48.2Very low165 Ų165136.3 Ų136.372%0.72475%0.752SS**SBendtrans-126-13.5-168.1-128.2-93.9000118.3
9T51Low48.6Very low78 Ų78136.2 Ų136.248%0.47976%0.755SS.*  trans-109.1111.4173.860.90000107.8T11T9-T11 PolarHBondContact O-N 2.72Å; T9-T11 PolarHBondContact O-OG1 2.98Å; T9-T11 PolarHBondContact OG1-OG1 3.31Å
10G45.4Very low49.6Very low90 Ų90133.2 Ų133.293%0.92876%0.756SS**  trans-64.228.417600000114.5K12G10-K12 PolarHBondContact O-N 3.31Å; G10-K12 VanDerWaalsContact O-N 3.08Å
11T50.5Low50.9Low97 Ų97131.2 Ų131.260%0.59575%0.748SS**  trans-76.393.817248.90000108.2T9 Q13T9-T11 PolarHBondContact O-N 2.72Å; T9-T11 PolarHBondContact O-OG1 2.98Å; T9-T11 PolarHBondContact OG1-OG1 3.31Å; T11-Q13 PolarHBondContact O-N 3.32Å
12K48.3Very low53.1Low195 Ų195124.3 Ų124.385%0.84871%0.712SS**  trans-17.3116.7161.1-146.8179.5-177.3-173.90112.2G10 E14G10-K12 PolarHBondContact O-N 3.31Å; G10-K12 VanDerWaalsContact O-N 3.08Å; K12-E14 PolarHBondContact O-N 3.26Å
13Q45.3Very low55.2Low168 Ų168120.8 Ų120.879%0.78569%0.687SS**  trans-10.380.1161.7-166.8-177.54600115.1Y6 T11 S15Y6-Q13 WeakPolarHBondContact OH-CA 3.25Å; T11-Q13 PolarHBondContact O-N 3.32Å; Q13-S15 PolarHBondContact O-N 3.25Å
14E51.7Low56.9Low168 Ų168120.2 Ų120.279%0.78569%0.685SS**  trans-87.5103.4150.8-101.7178.1167.700105.7K12 C16K12-E14 PolarHBondContact O-N 3.26Å; E14-C16 PolarHBondContact O-N 3.45Å
15S48.4Very low58.9Low80 Ų80117.9 Ų117.956%0.55968%0.678SS**  trans-28.8122.2170.642.10000112.1Q13 S17Q13-S15 PolarHBondContact O-N 3.25Å; S15-S17 PolarHBondContact O-N 3.15Å
16C50.5Low61Low123 Ų123114.6 Ų114.683%0.83166%0.659SS**SBendtrans-65.447.6171.2-165.80000112E14E14-C16 PolarHBondContact O-N 3.45Å
17S51.7Low63.4Low90 Ų90111.6 Ų111.663%0.62965%0.653SS**  trans-110.610.2-179.160.80000112.7S15S15-S17 PolarHBondContact O-N 3.15Å
18K55.5Low65.5Low135 Ų135109.7 Ų109.759%0.58764%0.638SS**  trans-133.148.3-177.8-76.9-179.1-176.81770111.9G20 T21K18-G20 PolarHBondContact O-N 3.33Å; K18-T21 WeakPolarHBondContact CB-OG1 3.45Å
19V57.3Low67.7Low134 Ų134106.8 Ų106.881%0.81263%0.627SS**THydrogen-bonded Turntrans-64.7106.9167.3172.60000107.4
20G67.7Low69.7Low76 Ų76107.7 Ų107.778%0.78463%0.633SS**THydrogen-bonded Turntrans109.94.6173.300000117.4K18K18-G20 PolarHBondContact O-N 3.33Å
21T77.2Confident72.1Confident93 Ų93108 Ų10857%0.57161%0.61SS**  trans-105.23.117564.60000114.2K18K18-T21 WeakPolarHBondContact CB-OG1 3.45Å
22H82.9Confident74.3Confident90 Ų90108.3 Ų108.342%0.41761%0.606SS.*  trans-75.9130.9179.5-71.9-64000110.3E26 L27H22-E26 VanDerWaalsContact CA-OE2 3.26Å; H22-E26 WeakPolarHBondContact CA-OE2 3.47Å; H22-E26 HydrophobicContact CB-CB 4.2Å; H22-E26 IonicContact CE1-OE2 3.24Å; H22-E26 IonicContact CG-OE2 3.01Å; H22-E26 IonicContact ND1-OE2 2.68Å; H22-E26 PolarHBondContact ND1-OE2 2.95Å; H22-L27 HydrophobicContact CB-CD2 3.71Å; H22-L27 HydrophobicContact CB-CG 3.84Å
23T87.1Confident76.6Confident64 Ų64103 Ų10339%0.39359%0.587SS.*  trans-65.9154.717062.70000109.3D25 E26 L27T23-D25 PolarHBondContact O-N 3.45Å; T23-D25 VanDerWaalsContact O-N 3.16Å; T23-E26 PolarHBondContact N-OE2 2.73Å; T23-E26 WeakPolarHBondContact O-CB 3.43Å; T23-E26 PolarHBondContact O-N 2.78Å; T23-E26 WeakPolarHBondContact OG1-CG 3.36Å; T23-E26 PolarHBondContact OG1-N 3.26Å; T23-L27 PolarHBondContact O-N 2.9Å; T23-L27 VanDerWaalsContact O-N 3.16Å
24P89.9Confident79Confident106 Ų106101.1 Ų101.169%0.68858%0.576SS**Hα-helixtrans-51.2-36.6174.2-28.636000113.2L27 A28P24-L27 PolarHBondContact O-N 2.9Å; P24-A28 WeakPolarHBondContact O-CB 3.37Å; P24-A28 PolarHBondContact O-N 3.48Å
25D90.3Very high81.2Confident122 Ų122101 Ų10165%0.65257%0.569SS**Hα-helixtrans-64.5-41.3177.1-60.5-27.7000112.5T23 A28 M29T23-D25 PolarHBondContact O-N 3.45Å; T23-D25 VanDerWaalsContact O-N 3.16Å; D25-A28 PolarHBondContact O-N 3.02Å; D25-M29 WeakPolarHBondContact O-CG 3.36Å; D25-M29 PolarHBondContact O-N 3.22Å
26E92.5Very high83.6Confident77 Ų77100.4 Ų100.436%0.3656%0.559SS.*Hα-helixtrans-63.1-42.1175.8-73.4172.3-175.300111.5H22 T23 M29 V30H22-E26 VanDerWaalsContact CA-OE2 3.26Å; H22-E26 WeakPolarHBondContact CA-OE2 3.47Å; H22-E26 HydrophobicContact CB-CB 4.2Å; H22-E26 IonicContact CE1-OE2 3.24Å; H22-E26 IonicContact CG-OE2 3.01Å; H22-E26 IonicContact ND1-OE2 2.68Å; H22-E26 PolarHBondContact ND1-OE2 2.95Å; T23-E26 PolarHBondContact N-OE2 2.73Å; T23-E26 WeakPolarHBondContact O-CB 3.43Å; T23-E26 PolarHBondContact O-N 2.78Å; T23-E26 WeakPolarHBondContact OG1-CG 3.36Å; T23-E26 PolarHBondContact OG1-N 3.26Å; E26-M29 HydrophobicContact CG-CE 4.23Å; E26-M29 PolarHBondContact O-N 3.06Å; E26-V30 WeakPolarHBondContact O-CG2 3.47Å; E26-V30 PolarHBondContact O-N 2.94Å; E26-V30 VanDerWaalsContact O-N 3.11Å
27L92.4Very high85.8Confident97 Ų9795.5 Ų95.551%0.50853%0.529SS..Hα-helixtrans-65.8-40.4176.8-64.4177.5000111.7H22 T23 P24 M29 V30 E31H22-L27 HydrophobicContact CB-CD2 3.71Å; H22-L27 HydrophobicContact CB-CG 3.84Å; T23-L27 PolarHBondContact O-N 2.9Å; T23-L27 VanDerWaalsContact O-N 3.16Å; P24-L27 PolarHBondContact O-N 2.9Å; L27-M29 PolarHBondContact O-N 3.36Å; L27-V30 PolarHBondContact O-N 3.46Å; L27-E31 PolarHBondContact O-N 3.31Å
28A91.5Very high88Confident55 Ų5594.2 Ų94.246%0.45552%0.52SS..Hα-helixtrans-63.3-39.9177.100000112.1P24 D25 E31 M32P24-A28 WeakPolarHBondContact O-CB 3.37Å; P24-A28 PolarHBondContact O-N 3.48Å; D25-A28 PolarHBondContact O-N 3.02Å; A28-E31 PolarHBondContact O-N 2.82Å; A28-M32 WeakPolarHBondContact O-CB 3.41Å; A28-M32 PolarHBondContact O-N 3.01Å
29M94.9Very high90Very high104 Ų10492.3 Ų92.351%0.51252%0.516SS..Hα-helixtrans-62.6-46.6174.1-71.7-170.5-61.400111.8D25 E26 L27 E31 M32 D33D25-M29 WeakPolarHBondContact O-CG 3.36Å; D25-M29 PolarHBondContact O-N 3.22Å; E26-M29 HydrophobicContact CG-CE 4.23Å; E26-M29 PolarHBondContact O-N 3.06Å; L27-M29 PolarHBondContact O-N 3.36Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.08Å; M29-M32 PolarHBondContact O-N 3.33Å; M29-D33 WeakPolarHBondContact O-CB 3.45Å; M29-D33 PolarHBondContact O-N 3.11Å
30V93.9Very high91.9Very high97 Ų9793.8 Ų93.859%0.58851%0.507SS*.Hα-helixtrans-60.9-41.5177.8172.30000111.2E26 L27 D33 F34E26-V30 WeakPolarHBondContact O-CG2 3.47Å; E26-V30 PolarHBondContact O-N 2.94Å; E26-V30 VanDerWaalsContact O-N 3.11Å; L27-V30 PolarHBondContact O-N 3.46Å; V30-D33 PolarHBondContact O-N 2.87Å; V30-F34 PolarHBondContact O-N 3Å
31E94.9Very high93.4Very high97 Ų9792.1 Ų92.145%0.45348%0.483SS..Hα-helixtrans-65.2-44.9176.1-171.6-175.1165.400112L27 A28 M29 D33 F34 R35L27-E31 PolarHBondContact O-N 3.31Å; A28-E31 PolarHBondContact O-N 2.82Å; M29-E31 VanDerWaalsContact C-N 3.31Å; M29-E31 PolarHBondContact O-N 3.08Å; E31-D33 VanDerWaalsContact C-N 3.34Å; E31-D33 PolarHBondContact O-N 3.42Å; E31-F34 WeakPolarHBondContact O-CB 3.23Å; E31-F34 PolarHBondContact O-N 3.4Å; E31-R35 WeakPolarHBondContact O-CG 3.4Å; E31-R35 PolarHBondContact O-N 2.94Å; E31-R35 IonicContact OE1-CZ 3.84Å; E31-R35 VanDerWaalsContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.53Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.75Å; E31-R35 PolarHBondContact OE1-NH2 3.45Å
32M96.6Very high94.4Very high103 Ų10391.1 Ų91.151%0.50748%0.477SS..Hα-helixtrans-60-44.9176.9-178.9-178.26600111.3A28 M29 F34 R35 L36A28-M32 WeakPolarHBondContact O-CB 3.41Å; A28-M32 PolarHBondContact O-N 3.01Å; M29-M32 PolarHBondContact O-N 3.33Å; M32-F34 VanDerWaalsContact C-N 3.32Å; M32-F34 PolarHBondContact O-N 3.27Å; M32-R35 PolarHBondContact O-N 3.36Å; M32-L36 HydrophobicContact CG-CD1 4.08Å; M32-L36 HydrophobicContact CG-CG 4.44Å; M32-L36 WeakPolarHBondContact O-CB 3.24Å; M32-L36 WeakPolarHBondContact O-CG 3.3Å; M32-L36 PolarHBondContact O-N 2.97Å
33D96.3Very high95.1Very high85 Ų8590.7 Ų90.746%0.45548%0.477SS..Hα-helixtrans-62-39.7176.8-80.6-25.6000112M29 V30 E31 L36 G37M29-D33 WeakPolarHBondContact O-CB 3.45Å; M29-D33 PolarHBondContact O-N 3.11Å; V30-D33 PolarHBondContact O-N 2.87Å; E31-D33 VanDerWaalsContact C-N 3.34Å; E31-D33 PolarHBondContact O-N 3.42Å; D33-L36 PolarHBondContact O-N 3.03Å; D33-G37 PolarHBondContact O-N 3.29Å
34F96.8Very high95.6Very high127 Ų12791.7 Ų91.756%0.55748%0.483SS*.Hα-helixtrans-62-47.3173.5179.1-94.5000111.9V30 E31 M32 L36 G37 S38V30-F34 PolarHBondContact O-N 3Å; E31-F34 WeakPolarHBondContact O-CB 3.23Å; E31-F34 PolarHBondContact O-N 3.4Å; M32-F34 VanDerWaalsContact C-N 3.32Å; M32-F34 PolarHBondContact O-N 3.27Å; F34-L36 PolarHBondContact O-N 2.97Å; F34-G37 PolarHBondContact O-N 2.94Å; F34-S38 WeakPolarHBondContact O-CB 3.32Å; F34-S38 PolarHBondContact O-N 3.32Å
35R97.3Very high95.9Very high166 Ų16691.2 Ų91.263%0.62648%0.475SS*.Hα-helixtrans-59.6-44.8177-70.8174.8178.3-136.44.4111.4E31 M32 L39E31-R35 WeakPolarHBondContact O-CG 3.4Å; E31-R35 PolarHBondContact O-N 2.94Å; E31-R35 IonicContact OE1-CZ 3.84Å; E31-R35 VanDerWaalsContact OE1-CZ 3.24Å; E31-R35 IonicContact OE1-NE 3.53Å; E31-R35 PolarHBondContact OE1-NE 2.91Å; E31-R35 IonicContact OE1-NH2 2.75Å; E31-R35 PolarHBondContact OE1-NH2 3.45Å; M32-R35 PolarHBondContact O-N 3.36Å; R35-L39 WeakPolarHBondContact O-CB 3.37Å; R35-L39 PolarHBondContact O-N 3.42Å
36L97.8Very high96.2Very high68 Ų6889.6 Ų89.636%0.35647%0.466SS..Hα-helixtrans-66.6-39.9177.3-70.2174.9000112.3M32 D33 F34 L39 R40M32-L36 HydrophobicContact CG-CD1 4.08Å; M32-L36 HydrophobicContact CG-CG 4.44Å; M32-L36 WeakPolarHBondContact O-CB 3.24Å; M32-L36 WeakPolarHBondContact O-CG 3.3Å; M32-L36 PolarHBondContact O-N 2.97Å; D33-L36 PolarHBondContact O-N 3.03Å; F34-L36 PolarHBondContact O-N 2.97Å; L36-L39 PolarHBondContact O-N 2.95Å; L36-R40 VanDerWaalsContact O-CG 3.28Å; L36-R40 WeakPolarHBondContact O-CG 3.32Å; L36-R40 PolarHBondContact O-N 3.3Å
37G97.7Very high96.3Very high19 Ų1994 Ų9420%0.19648%0.479CS..Hα-helixtrans-62.2-47.9175.600000112.3D33 F34 L39 R40 S41D33-G37 PolarHBondContact O-N 3.29Å; F34-G37 PolarHBondContact O-N 2.94Å; G37-L39 PolarHBondContact O-N 3.4Å; G37-R40 PolarHBondContact O-N 3.2Å; G37-S41 PolarHBondContact O-N 3.23Å
38S97.5Very high96.4Very high63 Ų6390.7 Ų90.744%0.44147%0.469SS..Hα-helixtrans-58.2-47.6175.1-1790000111.6F34 R40 S41 V42F34-S38 WeakPolarHBondContact O-CB 3.32Å; F34-S38 PolarHBondContact O-N 3.32Å; S38-R40 PolarHBondContact O-N 3.5Å; S38-S41 VanDerWaalsContact O-CB 3.32Å; S38-S41 WeakPolarHBondContact O-CB 3.47Å; S38-S41 PolarHBondContact O-N 3.39Å; S38-S41 VanDerWaalsContact O-N 3.11Å; S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 2.91Å
39L98.1Very high96.5Very high95 Ų9593.2 Ų93.250%0.49747%0.474SS..Hα-helixtrans-60.6-42.6177.4-179.161.5000112.4R35 L36 G37 S41 V42 L43R35-L39 WeakPolarHBondContact O-CB 3.37Å; R35-L39 PolarHBondContact O-N 3.42Å; L36-L39 PolarHBondContact O-N 2.95Å; G37-L39 PolarHBondContact O-N 3.4Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 2.72Å; L39-V42 PolarHBondContact O-N 3.48Å; L39-L43 HydrophobicContact CD1-CD1 4.3Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.46Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.83Å
40R97.7Very high96.3Very high165 Ų16593.5 Ų93.562%0.62348%0.477SS*.Hα-helixtrans-61.3-37.9175.5-74.2172.1-170.8153.44.8111.9L36 G37 S38 T44L36-R40 VanDerWaalsContact O-CG 3.28Å; L36-R40 WeakPolarHBondContact O-CG 3.32Å; L36-R40 PolarHBondContact O-N 3.3Å; G37-R40 PolarHBondContact O-N 3.2Å; S38-R40 PolarHBondContact O-N 3.5Å; R40-T44 WeakPolarHBondContact O-CB 3.44Å; R40-T44 PolarHBondContact O-N 3.32Å; R40-T44 PolarHBondContact O-OG1 3.02Å
41S97.8Very high96.1Very high41 Ų4195.9 Ų95.929%0.28748%0.479SS..Hα-helixtrans-61.3-54174.2-164.60000110.7G37 S38 L39 L43 T44 D45G37-S41 PolarHBondContact O-N 3.23Å; S38-S41 VanDerWaalsContact O-CB 3.32Å; S38-S41 WeakPolarHBondContact O-CB 3.47Å; S38-S41 PolarHBondContact O-N 3.39Å; S38-S41 VanDerWaalsContact O-N 3.11Å; L39-S41 VanDerWaalsContact C-N 3.29Å; L39-S41 PolarHBondContact O-N 2.72Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.29Å; S41-T44 WeakPolarHBondContact O-CA 3.49Å; S41-T44 WeakPolarHBondContact O-CB 3.32Å; S41-T44 PolarHBondContact O-N 3.45Å; S41-D45 PolarHBondContact O-N 2.9Å
42V97.8Very high95.7Very high73 Ų7396.6 Ų96.644%0.44249%0.486SS..Hα-helixtrans-57-43.7179.7174.40000111.9S38 L39 T44 D45 L46S38-V42 WeakPolarHBondContact O-CG2 3.39Å; S38-V42 PolarHBondContact O-N 2.91Å; L39-V42 PolarHBondContact O-N 3.48Å; V42-T44 VanDerWaalsContact C-N 3.3Å; V42-T44 PolarHBondContact O-N 3.47Å; V42-D45 PolarHBondContact O-N 2.96Å; V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.27Å
43L97.5Very high95.1Very high80 Ų8098.3 Ų98.342%0.41950%0.497SS..Hα-helixtrans-67.1-31.6177.2-70.2175.5000112.8L39 S41 R47L39-L43 HydrophobicContact CD1-CD1 4.3Å; L39-L43 HydrophobicContact CD1-CG 4.25Å; L39-L43 HydrophobicContact CG-CD1 4.09Å; L39-L43 HydrophobicContact CG-CG 4.46Å; L39-L43 WeakPolarHBondContact O-CB 3.48Å; L39-L43 VanDerWaalsContact O-CG 3.32Å; L39-L43 WeakPolarHBondContact O-CG 3.28Å; L39-L43 PolarHBondContact O-N 2.83Å; S41-L43 VanDerWaalsContact C-N 3.32Å; S41-L43 PolarHBondContact O-N 3.29Å; L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.23Å; L43-R47 WeakPolarHBondContact O-CG 3.49Å; L43-R47 PolarHBondContact O-N 3.24Å
44T97.6Very high93.9Very high86 Ų86105 Ų10553%0.52852%0.515SS..Hα-helixtrans-69.6-43.8175-60.30000110.5R40 S41 V42 R47 G48R40-T44 WeakPolarHBondContact O-CB 3.44Å; R40-T44 PolarHBondContact O-N 3.32Å; R40-T44 PolarHBondContact O-OG1 3.02Å; S41-T44 WeakPolarHBondContact O-CA 3.49Å; S41-T44 WeakPolarHBondContact O-CB 3.32Å; S41-T44 PolarHBondContact O-N 3.45Å; V42-T44 VanDerWaalsContact C-N 3.3Å; V42-T44 PolarHBondContact O-N 3.47Å; T44-R47 WeakPolarHBondContact O-CB 3.28Å; T44-R47 PolarHBondContact O-N 3.28Å; T44-G48 PolarHBondContact O-N 2.98Å
45D96.7Very high92.2Very high95 Ų95105 Ų10551%0.50852%0.52SS..Hα-helixtrans-62.9-46.3177.1-62.6-22.7000111.1S41 V42 R47 G48 L49S41-D45 PolarHBondContact O-N 2.9Å; V42-D45 PolarHBondContact O-N 2.96Å; D45-R47 VanDerWaalsContact C-N 3.31Å; D45-R47 PolarHBondContact O-N 3.1Å; D45-G48 WeakPolarHBondContact O-CA 3.46Å; D45-G48 PolarHBondContact O-N 3.49Å; D45-L49 WeakPolarHBondContact O-CG 3.46Å; D45-L49 PolarHBondContact O-N 3.01Å
46L96.6Very high89.8Confident89 Ų89105.6 Ų105.647%0.46653%0.53SS..Hα-helixtrans-59-40.9174.4-76171.4000112.2V42 G48 L49 L50V42-L46 HydrophobicContact CG1-CD1 4.15Å; V42-L46 WeakPolarHBondContact O-CB 3.5Å; V42-L46 WeakPolarHBondContact O-CG 3.46Å; V42-L46 PolarHBondContact O-N 3.27Å; L46-G48 VanDerWaalsContact C-N 3.3Å; L46-G48 PolarHBondContact O-N 2.92Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.19Å
47R94Very high87.7Confident169 Ų169108.8 Ų108.864%0.63855%0.546SS*.Hα-helixtrans-65.5-33.6174.1-77.5172.5179.3171.31.1112.3L43 T44 D45 K51L43-R47 WeakPolarHBondContact O-CB 3.42Å; L43-R47 VanDerWaalsContact O-CG 3.23Å; L43-R47 WeakPolarHBondContact O-CG 3.49Å; L43-R47 PolarHBondContact O-N 3.24Å; T44-R47 WeakPolarHBondContact O-CB 3.28Å; T44-R47 PolarHBondContact O-N 3.28Å; D45-R47 VanDerWaalsContact C-N 3.31Å; D45-R47 PolarHBondContact O-N 3.1Å; R47-K51 VanDerWaalsContact O-CG 3.25Å; R47-K51 WeakPolarHBondContact O-CG 3.34Å; R47-K51 PolarHBondContact O-N 3.39Å
48G94.5Very high85.2Confident28 Ų28113.7 Ų113.729%0.28957%0.574SS.*Hα-helixtrans-63.3-56.417200000111.1T44 D45 L46 L50 K51 D52T44-G48 PolarHBondContact O-N 2.98Å; D45-G48 WeakPolarHBondContact O-CA 3.46Å; D45-G48 PolarHBondContact O-N 3.49Å; L46-G48 VanDerWaalsContact C-N 3.3Å; L46-G48 PolarHBondContact O-N 2.92Å; G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 3.49Å; G48-K51 WeakPolarHBondContact O-CA 3.42Å; G48-K51 WeakPolarHBondContact O-CB 3.4Å; G48-K51 PolarHBondContact O-N 3.36Å; G48-D52 PolarHBondContact O-N 2.79Å
49L93.8Very high82.7Confident108 Ų108119.2 Ų119.257%0.56559%0.593SS**Hα-helixtrans-56.8-40.7179.4-67.2173000112.7D45 L46 K51 D52 L53D45-L49 WeakPolarHBondContact O-CG 3.46Å; D45-L49 PolarHBondContact O-N 3.01Å; L46-L49 PolarHBondContact O-N 3.48Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.28Å; L49-D52 PolarHBondContact O-N 3.01Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 PolarHBondContact O-N 3.44Å
50L91Very high79.8Confident110 Ų110122.6 Ų122.658%0.57661%0.607SS**Hα-helixtrans-68-28.6176.7-73.4172.3000113.4L46 G48 R54L46-L50 WeakPolarHBondContact O-CB 3.47Å; L46-L50 VanDerWaalsContact O-CG 3.24Å; L46-L50 WeakPolarHBondContact O-CG 3.48Å; L46-L50 PolarHBondContact O-N 3.19Å; G48-L50 VanDerWaalsContact C-N 3.3Å; G48-L50 PolarHBondContact O-N 3.49Å; L50-R54 PolarHBondContact O-N 2.93Å
51K89.2Confident77.2Confident147 Ų147120.8 Ų120.864%0.63962%0.616SS**Hα-helixtrans-72.8-42.1172.3-73.5169.1-179.4-178.20110.6R47 G48 L49 L53 R54R47-K51 VanDerWaalsContact O-CG 3.25Å; R47-K51 WeakPolarHBondContact O-CG 3.34Å; R47-K51 PolarHBondContact O-N 3.39Å; G48-K51 WeakPolarHBondContact O-CA 3.42Å; G48-K51 WeakPolarHBondContact O-CB 3.4Å; G48-K51 PolarHBondContact O-N 3.36Å; L49-K51 VanDerWaalsContact C-N 3.31Å; L49-K51 PolarHBondContact O-N 3.28Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.24Å; K51-R54 PolarHBondContact O-N 3.42Å; K51-R54 VanDerWaalsContact O-N 3.15Å
52D87Confident74.6Confident111 Ų111125 Ų12559%0.59464%0.64SS**Hα-helixtrans-61.5-41.4176.5-62.4-18.5000110.4G48 L49 R54 I55G48-D52 PolarHBondContact O-N 2.79Å; L49-D52 PolarHBondContact O-N 3.01Å; D52-R54 VanDerWaalsContact C-N 3.27Å; D52-R54 PolarHBondContact O-N 2.98Å; D52-I55 PolarHBondContact O-N 3.02Å
53L83.8Confident72Confident139 Ų139126.5 Ų126.573%0.72865%0.654SS**Hα-helixtrans-66.6-24.2176.9-13878.7000114L49 K51 I55L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 PolarHBondContact O-N 3.44Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.24Å; L53-I55 VanDerWaalsContact C-N 3.25Å; L53-I55 PolarHBondContact O-N 3.42Å
54R72Confident69.2Low225 Ų225127.6 Ų127.685%0.84967%0.668SS**THydrogen-bonded Turntrans-78.7-7.9178.2-86.4-170.1-175.2-141.22.2113.4L50 K51 D52L50-R54 PolarHBondContact O-N 2.93Å; K51-R54 PolarHBondContact O-N 3.42Å; K51-R54 VanDerWaalsContact O-N 3.15Å; D52-R54 VanDerWaalsContact C-N 3.27Å; D52-R54 PolarHBondContact O-N 2.98Å
55I59.9Low66.5Low129 Ų129129.9 Ų129.966%0.66269%0.688SS**SBendtrans-101.6125.7173.4-52.8175000106D52 L53D52-I55 PolarHBondContact O-N 3.02Å; L53-I55 VanDerWaalsContact C-N 3.25Å; L53-I55 PolarHBondContact O-N 3.42Å
56E48.4Very low63.5Low178 Ų178134.3 Ų134.383%0.83271%0.705SS**  trans89.747-175.8-50.6-172.1-177.600117
57I53.6Low60.7Low135 Ų135135.5 Ų135.569%0.69272%0.721SS**  trans-99.1113135.3-57.2176.4000105.7E59I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.5Å
58P44.2Very low57.9Low121 Ų121135.4 Ų135.479%0.78673%0.725SS**  trans-64.898.4168.1-6.721.2000106.5Q60P58-Q60 VanDerWaalsContact C-N 3.34Å; P58-Q60 PolarHBondContact O-N 3.24Å
59E46.3Very low55.2Low179 Ų179140.7 Ų140.784%0.83675%0.747SS**  trans-67.899.8171-73.4-158.1165.800108.4I57I57-E59 VanDerWaalsContact C-N 3.3Å; I57-E59 PolarHBondContact O-N 3.5Å
60Q36.7Very low52.4Low167 Ų167141.1 Ų141.178%0.7875%0.754SS**  trans-52135.7151.3-137-170.11.600108.1P58 T62P58-Q60 VanDerWaalsContact C-N 3.34Å; P58-Q60 PolarHBondContact O-N 3.24Å; Q60-T62 PolarHBondContact O-N 2.93Å
61P42.9Very low50Low126 Ų126142.3 Ų142.382%0.81877%0.766SS**  trans-75.995.7-174.730.1-33.6000110
62T43.1Very low47.3Very low131 Ų131141.7 Ų141.780%0.80478%0.775SS**  trans-102101.6158.5550000109.1Q60Q60-T62 PolarHBondContact O-N 2.93Å
63S42.1Very low45.4Very low103 Ų103142 Ų14272%0.7279%0.785SS**  trans-43.6149.6170.150.30000115.9
64S39.7Very low42.9Very low103 Ų103143 Ų14372%0.7279%0.792SS**  trans73.4108.8140.373.60000119.3
65S40.7Very low41Very low134 Ų134135 Ų13594%0.93778%0.779SS**  -153.7107.2126.1-72.60000108.2
66Q34.4Very low39.8Very low189 Ų189134.6 Ų134.688%0.88379%0.787SS**  trans-107.1127.2-176.3-175.3-173.754.800107
67S37.6Very low39.1Very low114 Ų114136 Ų13680%0.79779%0.791SS**  trans-171.8105.5150.6-1530000107
68K35Very low38.3Very low167 Ų167134.1 Ų134.173%0.72680%0.795SS**  71.6106.958.8-158.1-176.3-177.4-176.90112.5
69D37.8Very low38Very low139 Ų139137.6 Ų137.674%0.74380%0.798SS**  trans163.1103.5134.8-80.5-22.2000108
70T34.5Very low37.4Very low116 Ų116135.1 Ų135.171%0.71280%0.795SS**  55109.679.1-430000112.9
71V41.6Very low37.5Very low136 Ų136134 Ų13482%0.82480%0.8SS**  -169.3114.6125.2151.20000108.2
72T31.3Very low37Very low134 Ų134136 Ų13682%0.82280%0.798SS**  trans-71.3133.8160.144.90000109.6
73S47.6Very low37.3Very low117 Ų117134.4 Ų134.482%0.81879%0.79SS**  trans-140.6110.1150.3-165.20000110
74D31.2Very low37Very low161 Ų161137.8 Ų137.886%0.86180%0.799SS**  trans-66161.7161.5-163.4-1.4000110.4
75G32.3Very low37Very low57 Ų57143.8 Ų143.859%0.58881%0.806SS**  trans136.38416200000119.2
76S35.5Very low36.9Very low119 Ų119146.9 Ų146.983%0.83281%0.808SS**  61.9111.1127.251.40000123.2
77K33.5Very low37.3Very low208 Ų208142.4 Ų142.490%0.90480%0.797SS**  trans-4.5133.5141.9-57.1-170.1176.8-174.90119.3
78A37.2Very low37.3Very low95 Ų95142.4 Ų142.479%0.78580%0.798SS**  161.4124.7101.200000114.5
79K37.1Very low37.7Very low194 Ų194139.4 Ų139.484%0.84380%0.798SS**  trans42.6110.2142.4-74.9178.6173.6-177.10120.1
80T34.6Very low38.1Very low128 Ų128139.8 Ų139.879%0.78581%0.805SS**  78.510494.4-560000113.7
81V38.2Very low38.6Very low143 Ų143138.6 Ų138.687%0.86780%0.795SS**  -161.7128.5127.1179.90000108.2
82E32.8Very low39.2Very low167 Ų167137.7 Ų137.778%0.7879%0.789SS**  trans-45.4178.3168.2-73.3-87.4129.400116
83P47.9Very low40.2Very low99 Ų99138.8 Ų138.864%0.64379%0.785SS**  cis-127.1127.1-42.527.9-9.9000110.5
84L37.1Very low40.4Very low173 Ų173137.9 Ų137.991%0.90677%0.771SS**  trans-97.6113.7161.4-93.192000109.1M86L84-M86 PolarHBondContact O-N 3.45Å
85R39.5Very low41.7Very low230 Ų230136 Ų13687%0.86876%0.759SS**  trans-32.7127.8158.4-69.4-167173.2152.8-1.1109.6S87R85-S87 PolarHBondContact O-N 3.11Å
86M38.8Very low43.4Very low198 Ų198137.7 Ų137.798%0.97576%0.76SS**  trans-63.887.7167.8-65.5-153.2-12100108.4L84L84-M86 PolarHBondContact O-N 3.45Å
87S42Very low45Very low95 Ų95137.2 Ų137.266%0.66475%0.748SS**  trans-83140.3145.3-60.10000106.9R85R85-S87 PolarHBondContact O-N 3.11Å
88S37.7Very low47Very low115 Ų115130.2 Ų130.280%0.80473%0.729SS**  trans78.399.9159.2-48.40000117.2
89S43.3Very low49.2Very low104 Ų104130.8 Ų130.873%0.72772%0.719SS**  179.4117.797.9-97.50000108.5N91S89-N91 PolarHBondContact O-N 3.32Å
90T47.1Very low51.6Low147 Ų147128.3 Ų128.390%0.90271%0.705SS**  trans-63.583.3165.1-50.50000107.9
91N44.8Very low54.3Low91 Ų91128.2 Ų128.249%0.48770%0.696SS.*  trans-88.1121.6170.3-163.8-38.2000107S89 Q93 D94S89-N91 PolarHBondContact O-N 3.32Å; N91-Q93 PolarHBondContact O-N 3.41Å; N91-D94 PolarHBondContact O-N 3.02Å
92V52.9Low56.9Low117 Ų117127.3 Ų127.371%0.70968%0.684SS**THydrogen-bonded Turntrans-70.316.2-173-157.60000112.2I95V92-I95 HydrophobicContact CG1-CD1 3.95Å
93Q52.9Low59.8Low157 Ų157124.8 Ų124.873%0.73467%0.672SS**THydrogen-bonded Turntrans-101.2-7.8175.2-69.5-177.27.700114N91 P96N91-Q93 PolarHBondContact O-N 3.41Å; Q93-P96 VanDerWaalsContact O-CD 3.3Å; Q93-P96 WeakPolarHBondContact O-CD 3.4Å
94D53.2Low62Low97 Ų97121.9 Ų121.952%0.51965%0.653SS.*  trans-93.61-176.8-66.3-42.4000114.8N91 P96 L97 A98N91-D94 PolarHBondContact O-N 3.02Å; D94-P96 VanDerWaalsContact C-CD 3.44Å; D94-L97 PolarHBondContact O-N 2.9Å; D94-A98 PolarHBondContact O-N 3.01Å
95I58.2Low64.8Low121 Ų121119.7 Ų119.762%0.62164%0.638SS**Hα-helixtrans-60.4-37.4178.1-54.8171.4000112.8V92V92-I95 HydrophobicContact CG1-CD1 3.95Å
96P66.9Low67.5Low94 Ų94114.1 Ų114.161%0.6163%0.625SS**Hα-helixtrans-70.4-31.6178-16.830.8000113.6Q93 D94 Y100Q93-P96 VanDerWaalsContact O-CD 3.3Å; Q93-P96 WeakPolarHBondContact O-CD 3.4Å; D94-P96 VanDerWaalsContact C-CD 3.44Å; P96-Y100 PolarHBondContact O-N 3.49Å
97L69Low70.2Confident108 Ų108108.8 Ų108.857%0.56560%0.603SS**Hα-helixtrans-76.5-40.5-173.5-167.166.8000111.6D94 N99 Y100 E101D94-L97 PolarHBondContact O-N 2.9Å; L97-N99 VanDerWaalsContact C-N 3.3Å; L97-N99 PolarHBondContact O-N 3.47Å; L97-Y100 PolarHBondContact O-N 3.26Å; L97-E101 WeakPolarHBondContact O-CB 3.37Å; L97-E101 PolarHBondContact O-N 2.91Å
98A75.4Confident72.8Confident62 Ų62110.5 Ų110.551%0.51260%0.595SS.*Hα-helixtrans-63.3-36.7176.600000112.4D94 M102D94-A98 PolarHBondContact O-N 3.01Å; A98-M102 WeakPolarHBondContact O-CB 3.37Å; A98-M102 PolarHBondContact O-N 3.48Å
99N83.9Confident75.6Confident107 Ų107108 Ų10857%0.57258%0.578SS**Hα-helixtrans-68-43.7176.6-167.249.2000111.6L97 M102 E103L97-N99 VanDerWaalsContact C-N 3.3Å; L97-N99 PolarHBondContact O-N 3.47Å; N99-M102 PolarHBondContact O-N 3.29Å; N99-E103 PolarHBondContact O-N 3Å
100Y87.5Confident78.1Confident142 Ų142108.6 Ų108.656%0.55757%0.569SS**Hα-helixtrans-64.5-41.2177.7-179.3-104.1000112.7P96 L97 M102 E103 C104P96-Y100 PolarHBondContact O-N 3.49Å; L97-Y100 PolarHBondContact O-N 3.26Å; Y100-M102 VanDerWaalsContact C-N 3.33Å; Y100-M102 PolarHBondContact O-N 3.39Å; Y100-E103 PolarHBondContact O-N 2.68Å; Y100-C104 VanDerWaalsContact CE1-SG 3.51Å; Y100-C104 WeakPolarHBondContact O-CB 3.48Å; Y100-C104 PolarHBondContact O-N 3.46Å; Y100-C104 PolarHBondContact O-SG 2.9Å
101E92Very high80.5Confident125 Ų125108.9 Ų108.958%0.58455%0.554SS**Hα-helixtrans-65.6-37.8178.5-173.8160-152.800112L97 C104 Q105L97-E101 WeakPolarHBondContact O-CB 3.37Å; L97-E101 PolarHBondContact O-N 2.91Å; E101-C104 PolarHBondContact O-N 3.04Å; E101-Q105 WeakPolarHBondContact O-CB 3.43Å; E101-Q105 PolarHBondContact O-N 3.14Å
102M93.1Very high83Confident125 Ų125108.5 Ų108.562%0.61655%0.552SS**Hα-helixtrans-64.4-45.6173.5-171.3-176.9-54.600112A98 N99 Y100 C104 Q105 L106A98-M102 WeakPolarHBondContact O-CB 3.37Å; A98-M102 PolarHBondContact O-N 3.48Å; N99-M102 PolarHBondContact O-N 3.29Å; Y100-M102 VanDerWaalsContact C-N 3.33Å; Y100-M102 PolarHBondContact O-N 3.39Å; M102-C104 PolarHBondContact O-N 2.99Å; M102-Q105 WeakPolarHBondContact O-CB 3.41Å; M102-Q105 PolarHBondContact O-N 2.94Å; M102-Q105 VanDerWaalsContact O-N 3.1Å; M102-L106 PolarHBondContact O-N 3.07Å
103E91.9Very high85.1Confident114 Ų114105.8 Ų105.853%0.53354%0.542SS..Hα-helixtrans-60.3-45.6175.9-175.2178.6-170.900111.4N99 Y100 Q105 L106 V107N99-E103 PolarHBondContact O-N 3Å; Y100-E103 PolarHBondContact O-N 2.68Å; E103-Q105 PolarHBondContact O-N 3.37Å; E103-L106 PolarHBondContact O-N 2.73Å; E103-L106 VanDerWaalsContact O-N 3.14Å; E103-V107 WeakPolarHBondContact O-CG2 3.34Å; E103-V107 PolarHBondContact O-N 3.41Å
104C94.5Very high87.2Confident37 Ų37103 Ų10325%0.2553%0.532CS..Hα-helixtrans-62-31.1174.7-71.40000112.7Y100 E101 M102 R108Y100-C104 VanDerWaalsContact CE1-SG 3.51Å; Y100-C104 WeakPolarHBondContact O-CB 3.48Å; Y100-C104 PolarHBondContact O-N 3.46Å; Y100-C104 PolarHBondContact O-SG 2.9Å; E101-C104 PolarHBondContact O-N 3.04Å; M102-C104 PolarHBondContact O-N 2.99Å; C104-R108 WeakPolarHBondContact O-CB 3.35Å; C104-R108 VanDerWaalsContact O-CG 3.28Å; C104-R108 WeakPolarHBondContact O-CG 3.47Å; C104-R108 PolarHBondContact O-N 2.97Å; C104-R108 PolarHBondContact O-NE 2.96Å
105Q95.6Very high89.3Confident128 Ų128101.2 Ų101.260%0.59853%0.53SS*.Hα-helixtrans-72.1-41175.1-169.8167.734.100111.4E101 M102 E103 R108 S109E101-Q105 WeakPolarHBondContact O-CB 3.43Å; E101-Q105 PolarHBondContact O-N 3.14Å; M102-Q105 WeakPolarHBondContact O-CB 3.41Å; M102-Q105 PolarHBondContact O-N 2.94Å; M102-Q105 VanDerWaalsContact O-N 3.1Å; E103-Q105 PolarHBondContact O-N 3.37Å; Q105-R108 PolarHBondContact O-N 3.04Å; Q105-S109 PolarHBondContact O-N 3.34Å; Q105-S109 PolarHBondContact O-OG 3.01Å
106L96.1Very high91.2Very high112 Ų11297.8 Ų97.859%0.58652%0.52SS*.Hα-helixtrans-61.8-51176.4-175.963.2000111.4M102 E103 R108 S109 E110M102-L106 PolarHBondContact O-N 3.07Å; E103-L106 PolarHBondContact O-N 2.73Å; E103-L106 VanDerWaalsContact O-N 3.14Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.16Å; L106-S109 PolarHBondContact O-N 2.68Å; L106-S109 PolarHBondContact O-OG 3.05Å; L106-E110 PolarHBondContact O-N 2.75Å
107V96.6Very high92.6Very high86 Ų8699.4 Ų99.452%0.52152%0.519SS..Hα-helixtrans-58.6-39.4178.3173.50000111.6E103 R111E103-V107 WeakPolarHBondContact O-CG2 3.34Å; E103-V107 PolarHBondContact O-N 3.41Å; V107-R111 WeakPolarHBondContact O-CB 3.26Å; V107-R111 PolarHBondContact O-N 3.35Å
108R96.4Very high94Very high131 Ų13199.4 Ų99.449%0.49452%0.519SS..Hα-helixtrans-64.4-43.9174.8-78.7-179.1-74.5-178.6-1.7112C104 Q105 L106 R111 D112C104-R108 WeakPolarHBondContact O-CB 3.35Å; C104-R108 VanDerWaalsContact O-CG 3.28Å; C104-R108 WeakPolarHBondContact O-CG 3.47Å; C104-R108 PolarHBondContact O-N 2.97Å; C104-R108 PolarHBondContact O-NE 2.96Å; Q105-R108 PolarHBondContact O-N 3.04Å; L106-R108 VanDerWaalsContact C-N 3.27Å; L106-R108 PolarHBondContact O-N 3.16Å; R108-R111 PolarHBondContact O-N 3.16Å; R108-D112 WeakPolarHBondContact O-CB 3.47Å; R108-D112 PolarHBondContact O-N 3.35Å
109S96.3Very high95Very high64 Ų64101.7 Ų101.745%0.44852%0.522SS..Hα-helixtrans-65.5-38.3178.668.10000113Q105 L106 D112 A113Q105-S109 PolarHBondContact O-N 3.34Å; Q105-S109 PolarHBondContact O-OG 3.01Å; L106-S109 PolarHBondContact O-N 2.68Å; L106-S109 PolarHBondContact O-OG 3.05Å; S109-D112 PolarHBondContact O-N 3.39Å; S109-A113 PolarHBondContact O-N 3.16Å
110E96.9Very high95.7Very high115 Ų115101.7 Ų101.754%0.53752%0.522SS..Hα-helixtrans-67.3-46.1176.6-176.4177.5-175.500111.3L106 D112 A113 L114L106-E110 PolarHBondContact O-N 2.75Å; E110-D112 VanDerWaalsContact C-N 3.27Å; E110-D112 PolarHBondContact O-N 3.44Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.16Å; E110-L114 HydrophobicContact CG-CD1 4.44Å; E110-L114 WeakPolarHBondContact O-CG 3.5Å; E110-L114 PolarHBondContact O-N 3.44Å
111R96.9Very high96.1Very high153 Ų15396.9 Ų96.958%0.57751%0.512SS*.Hα-helixtrans-55.8-44.1173.6-177.3-152.365.7176.8-4.1111.5V107 R108 A113 L114 A115V107-R111 WeakPolarHBondContact O-CB 3.26Å; V107-R111 PolarHBondContact O-N 3.35Å; R108-R111 PolarHBondContact O-N 3.16Å; R111-A113 VanDerWaalsContact C-N 3.35Å; R111-L114 PolarHBondContact O-N 3.33Å; R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 2.98Å
112D96.9Very high96.4Very high83 Ų8396.4 Ų96.444%0.44451%0.509SS..Hα-helixtrans-68-35.6-179.7-68.8-11.6000111.8R108 S109 E110 A116R108-D112 WeakPolarHBondContact O-CB 3.47Å; R108-D112 PolarHBondContact O-N 3.35Å; S109-D112 PolarHBondContact O-N 3.39Å; E110-D112 VanDerWaalsContact C-N 3.27Å; E110-D112 PolarHBondContact O-N 3.44Å; D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 2.92Å
113A97Very high96.6Very high60 Ų6095.7 Ų95.750%0.49651%0.505SS..Hα-helixtrans-65-46.7173.200000112S109 E110 R111 A115 A116 E117S109-A113 PolarHBondContact O-N 3.16Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.16Å; R111-A113 VanDerWaalsContact C-N 3.35Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.03Å; A113-A116 PolarHBondContact O-N 3.26Å; A113-E117 PolarHBondContact O-N 3.01Å
114L97.6Very high96.7Very high100 Ų10096 Ų9652%0.52451%0.506SS..Hα-helixtrans-63.2-38.4176.8-69.7175.9000112E110 R111 A116 E117 L118E110-L114 HydrophobicContact CG-CD1 4.44Å; E110-L114 WeakPolarHBondContact O-CG 3.5Å; E110-L114 PolarHBondContact O-N 3.44Å; R111-L114 PolarHBondContact O-N 3.33Å; L114-A116 VanDerWaalsContact C-N 3.34Å; L114-E117 PolarHBondContact O-N 3.33Å; L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 3.15Å
115A97.6Very high96.8Very high58 Ų5899.8 Ų99.848%0.47952%0.523SS..Hα-helixtrans-64.5-38.9175.300000112.1R111 A113 L119R111-A115 WeakPolarHBondContact O-CB 3.48Å; R111-A115 PolarHBondContact O-N 2.98Å; A113-A115 VanDerWaalsContact C-N 3.33Å; A113-A115 PolarHBondContact O-N 3.03Å; A115-L119 PolarHBondContact O-N 2.95Å; A115-L119 VanDerWaalsContact O-N 3.15Å
116A97.5Very high96.7Very high50 Ų5098.7 Ų98.741%0.41352%0.521SS..Hα-helixtrans-67.8-41.3175.100000112.1D112 A113 L114 L119 N120D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 2.92Å; A113-A116 PolarHBondContact O-N 3.26Å; L114-A116 VanDerWaalsContact C-N 3.34Å; A116-L119 PolarHBondContact O-N 3.39Å; A116-N120 VanDerWaalsContact O-CG 3.27Å; A116-N120 PolarHBondContact O-N 3.2Å; A116-N120 PolarHBondContact O-ND2 2.94Å
117E96.1Very high96.6Very high128 Ų12898.5 Ų98.560%0.59852%0.517SS*.Hα-helixtrans-63.4-43.4176.4-171.8174.9175.400111.9A113 L114 L119 N120 A121A113-E117 PolarHBondContact O-N 3.01Å; L114-E117 PolarHBondContact O-N 3.33Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.93Å; E117-N120 PolarHBondContact O-N 3.01Å; E117-A121 WeakPolarHBondContact O-CB 3.43Å; E117-A121 PolarHBondContact O-N 3.41Å
118L97.8Very high96.4Very high107 Ų10798 Ų9856%0.5651%0.511SS*.Hα-helixtrans-59.4-43.5174.8-178.267.1000111.8L114 A121 Q122L114-L118 WeakPolarHBondContact O-CB 3.44Å; L114-L118 PolarHBondContact O-N 3.15Å; L118-A121 PolarHBondContact O-N 3.42Å; L118-Q122 WeakPolarHBondContact O-CB 3.28Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.44Å; L118-Q122 PolarHBondContact O-N 3.42Å
119L97.2Very high96.2Very high111 Ų11197.7 Ų97.758%0.58151%0.513SS*.Hα-helixtrans-66.3-40.3178.4-174.3139.6000111.7A115 A116 E117 Q122 Q123A115-L119 PolarHBondContact O-N 2.95Å; A115-L119 VanDerWaalsContact O-N 3.15Å; A116-L119 PolarHBondContact O-N 3.39Å; E117-L119 VanDerWaalsContact C-N 3.32Å; E117-L119 PolarHBondContact O-N 2.93Å; L119-Q122 PolarHBondContact O-N 3.49Å; L119-Q123 PolarHBondContact O-N 3.4Å
120N97.5Very high95.8Very high106 Ų10697 Ų9757%0.56751%0.508SS*.Hα-helixtrans-62.8-46.2174.4-72.2-21.2000111.4A116 E117 Q122 Q123 E124A116-N120 VanDerWaalsContact O-CG 3.27Å; A116-N120 PolarHBondContact O-N 3.2Å; A116-N120 PolarHBondContact O-ND2 2.94Å; E117-N120 PolarHBondContact O-N 3.01Å; N120-Q122 VanDerWaalsContact C-N 3.31Å; N120-Q122 PolarHBondContact O-N 3.42Å; N120-Q123 PolarHBondContact O-N 2.92Å; N120-Q123 VanDerWaalsContact O-N 3.15Å; N120-E124 PolarHBondContact O-N 2.87Å
121A97Very high95.5Very high41 Ų4196.5 Ų96.534%0.33951%0.506SS..Hα-helixtrans-61-40.2176.700000111.8E117 L118 Q123 E124 L125E117-A121 WeakPolarHBondContact O-CB 3.43Å; E117-A121 PolarHBondContact O-N 3.41Å; L118-A121 PolarHBondContact O-N 3.42Å; A121-Q123 VanDerWaalsContact C-N 3.35Å; A121-Q123 PolarHBondContact O-N 3.37Å; A121-E124 PolarHBondContact O-N 2.94Å; A121-L125 WeakPolarHBondContact O-CB 3.29Å; A121-L125 VanDerWaalsContact O-CG 3.28Å; A121-L125 WeakPolarHBondContact O-CG 3.48Å; A121-L125 PolarHBondContact O-N 2.94Å
122Q97.2Very high95Very high115 Ų11595.4 Ų95.454%0.53751%0.51SS..Hα-helixtrans-63.2-39.8174.8-76.3177.7-9.700112.4L118 L119 N120 L126L118-Q122 WeakPolarHBondContact O-CB 3.28Å; L118-Q122 VanDerWaalsContact O-CG 3.29Å; L118-Q122 WeakPolarHBondContact O-CG 3.44Å; L118-Q122 PolarHBondContact O-N 3.42Å; L119-Q122 PolarHBondContact O-N 3.49Å; N120-Q122 VanDerWaalsContact C-N 3.31Å; N120-Q122 PolarHBondContact O-N 3.42Å; Q122-L126 WeakPolarHBondContact O-CB 3.39Å; Q122-L126 PolarHBondContact O-N 2.89Å
123Q97.1Very high94.5Very high110 Ų11097.5 Ų97.551%0.51452%0.517SS..Hα-helixtrans-67.5-42.5176.8-176.958.644.600111.9L119 N120 A121 L126 E127L119-Q123 PolarHBondContact O-N 3.4Å; N120-Q123 PolarHBondContact O-N 2.92Å; N120-Q123 VanDerWaalsContact O-N 3.15Å; A121-Q123 VanDerWaalsContact C-N 3.35Å; A121-Q123 PolarHBondContact O-N 3.37Å; Q123-L126 PolarHBondContact O-N 3.41Å; Q123-E127 PolarHBondContact O-N 3.15Å
124E95.8Very high93.8Very high122 Ų122100.2 Ų100.257%0.5752%0.524SS*.Hα-helixtrans-61.4-44.4175.3-174.6-179.3174.300111.2N120 A121 L126 E127 L128N120-E124 PolarHBondContact O-N 2.87Å; A121-E124 PolarHBondContact O-N 2.94Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.79Å; E124-E127 PolarHBondContact O-N 3Å; E124-L128 HydrophobicContact CG-CD1 4.19Å; E124-L128 WeakPolarHBondContact O-CB 3.5Å; E124-L128 WeakPolarHBondContact O-CG 3.43Å; E124-L128 PolarHBondContact O-N 3Å
125L95.2Very high92Very high116 Ų11697 Ų9761%0.60752%0.515SS*.Hα-helixtrans-61.6-38.3174.8-73.8174.4000112.4A121 K129A121-L125 WeakPolarHBondContact O-CB 3.29Å; A121-L125 VanDerWaalsContact O-CG 3.28Å; A121-L125 WeakPolarHBondContact O-CG 3.48Å; A121-L125 PolarHBondContact O-N 2.94Å; L125-K129 VanDerWaalsContact O-CB 3.24Å; L125-K129 WeakPolarHBondContact O-CB 3.24Å; L125-K129 PolarHBondContact O-N 3.07Å
126L94.5Very high90.1Very high105 Ų10599.2 Ų99.255%0.5553%0.527SS..Hα-helixtrans-68.1-40176.6-166.6152000111.2Q122 Q123 E124 K129 S130Q122-L126 WeakPolarHBondContact O-CB 3.39Å; Q122-L126 PolarHBondContact O-N 2.89Å; Q123-L126 PolarHBondContact O-N 3.41Å; E124-L126 VanDerWaalsContact C-N 3.3Å; E124-L126 PolarHBondContact O-N 2.79Å; L126-K129 PolarHBondContact O-N 3.46Å; L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 3.42Å
127E93.6Very high87.9Confident108 Ų108100.3 Ų100.351%0.50554%0.543SS..Hα-helixtrans-64.3-49.1174.7-169.9178.6170.500111.5Q123 E124 K129 S130 Q131Q123-E127 PolarHBondContact O-N 3.15Å; E124-E127 PolarHBondContact O-N 3Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 2.92Å; E127-S130 CarbonylContact O-C 3.57Å; E127-S130 WeakPolarHBondContact O-CA 3.36Å; E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.87Å; E127-S130 VanDerWaalsContact O-N 3.07Å; E127-Q131 WeakPolarHBondContact O-CG 3.46Å; E127-Q131 PolarHBondContact O-N 3.4Å; E127-Q131 PolarHBondContact OE1-NE2 3.29Å
128L92Very high85.7Confident74 Ų74100.6 Ų100.639%0.38755%0.548SS..Hα-helixtrans-58.2-42.2174.5-73.2172.3000111.4E124 S130 Q131 I132E124-L128 HydrophobicContact CG-CD1 4.19Å; E124-L128 WeakPolarHBondContact O-CB 3.5Å; E124-L128 WeakPolarHBondContact O-CG 3.43Å; E124-L128 PolarHBondContact O-N 3Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.38Å; L128-Q131 PolarHBondContact O-N 3.22Å; L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.17Å; L128-I132 PolarHBondContact O-N 3.09Å
129K92.2Very high83.2Confident125 Ų125100 Ų10054%0.54355%0.553SS.*Hα-helixtrans-59.2-45.9173.8179.9-175.8173.8-68.40111.2L125 L126 E127 I132 E133L125-K129 VanDerWaalsContact O-CB 3.24Å; L125-K129 WeakPolarHBondContact O-CB 3.24Å; L125-K129 PolarHBondContact O-N 3.07Å; L126-K129 PolarHBondContact O-N 3.46Å; E127-K129 VanDerWaalsContact C-N 3.29Å; E127-K129 PolarHBondContact O-N 2.92Å; K129-I132 PolarHBondContact O-N 2.82Å; K129-E133 IonicContact NZ-OE2 2.79Å; K129-E133 PolarHBondContact NZ-OE2 2.73Å; K129-E133 VanDerWaalsContact O-CB 3.29Å; K129-E133 WeakPolarHBondContact O-CB 3.27Å; K129-E133 PolarHBondContact O-N 3.22Å
130S89.4Confident81Confident49 Ų49100.8 Ų100.834%0.34357%0.568SS.*Hα-helixtrans-64.2-38.7177.3-178.50000112.2L126 E127 L128 E133 N134L126-S130 WeakPolarHBondContact O-CB 3.35Å; L126-S130 PolarHBondContact O-N 3.42Å; E127-S130 CarbonylContact O-C 3.57Å; E127-S130 WeakPolarHBondContact O-CA 3.36Å; E127-S130 WeakPolarHBondContact O-CB 3.29Å; E127-S130 PolarHBondContact O-N 2.87Å; E127-S130 VanDerWaalsContact O-N 3.07Å; L128-S130 VanDerWaalsContact C-N 3.34Å; L128-S130 PolarHBondContact O-N 3.38Å; S130-E133 PolarHBondContact O-N 2.67Å; S130-N134 VanDerWaalsContact O-CB 3.29Å; S130-N134 WeakPolarHBondContact O-CB 3.43Å; S130-N134 PolarHBondContact O-N 2.84Å; S130-N134 PolarHBondContact O-ND2 3.35Å; S130-N134 PolarHBondContact OG-ND2 2.9Å
131Q90.4Very high78.7Confident106 Ų106103.9 Ų103.950%0.49558%0.579SS.*Hα-helixtrans-65-39.8175.1-70.417825.500111.7E127 L128 G135E127-Q131 WeakPolarHBondContact O-CG 3.46Å; E127-Q131 PolarHBondContact O-N 3.4Å; E127-Q131 PolarHBondContact OE1-NE2 3.29Å; L128-Q131 PolarHBondContact O-N 3.22Å; Q131-G135 WeakPolarHBondContact O-CA 3.29Å; Q131-G135 PolarHBondContact O-N 3.04Å
132I84.9Confident76.3Confident130 Ų130106.7 Ų106.767%0.66759%0.592SS**Hα-helixtrans-66.4-43.8174.2-67.1164.2000110.5L128 K129 S136L128-I132 VanDerWaalsContact O-CG1 3.27Å; L128-I132 WeakPolarHBondContact O-CG1 3.17Å; L128-I132 PolarHBondContact O-N 3.09Å; K129-I132 PolarHBondContact O-N 2.82Å; I132-S136 PolarHBondContact O-N 2.76Å
133E86.8Confident73.8Confident126 Ų126110.8 Ų110.859%0.58961%0.611SS**Hα-helixtrans-68.1-40.7-177.3-169.8167.2-178.200112.3K129 S130K129-E133 IonicContact NZ-OE2 2.79Å; K129-E133 PolarHBondContact NZ-OE2 2.73Å; K129-E133 VanDerWaalsContact O-CB 3.29Å; K129-E133 WeakPolarHBondContact O-CB 3.27Å; K129-E133 PolarHBondContact O-N 3.22Å; S130-E133 PolarHBondContact O-N 2.67Å
134N81.7Confident71.4Confident118 Ų118111.5 Ų111.563%0.63162%0.618SS**Hα-helixtrans-91.8-31.7-178.9-63.7-51000113.6S130 S136S130-N134 VanDerWaalsContact O-CB 3.29Å; S130-N134 WeakPolarHBondContact O-CB 3.43Å; S130-N134 PolarHBondContact O-N 2.84Å; S130-N134 PolarHBondContact O-ND2 3.35Å; S130-N134 PolarHBondContact OG-ND2 2.9Å; N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 2.82Å
135G61.1Low69.1Low33 Ų33112.5 Ų112.534%0.3463%0.627SS.*Hα-helixtrans-78.8-6.4178.900000114Q131 G137 N138Q131-G135 WeakPolarHBondContact O-CA 3.29Å; Q131-G135 PolarHBondContact O-N 3.04Å; G135-G137 PolarHBondContact O-N 3.27Å; G135-N138 PolarHBondContact O-N 3.33Å; G135-N138 PolarHBondContact O-OD1 2.91Å
136S57.1Low66.7Low104 Ų104116 Ų11673%0.72764%0.64SS**THydrogen-bonded Turntrans-61.3-6.4171.7-1740000113.5I132 N134I132-S136 PolarHBondContact O-N 2.76Å; N134-S136 VanDerWaalsContact C-N 3.27Å; N134-S136 PolarHBondContact O-N 2.82Å
137G50.4Low64.4Low72 Ų72117 Ų11774%0.74265%0.646SS**THydrogen-bonded Turntrans-84.9-16.5175.900000115.6G135G135-G137 PolarHBondContact O-N 3.27Å
138N50.6Low62.1Low135 Ų135116.5 Ų116.572%0.72265%0.647SS**SBendtrans-150.453.7-168.954.5-13.4000114.1G135G135-N138 PolarHBondContact O-N 3.33Å; G135-N138 PolarHBondContact O-OD1 2.91Å
139S46.1Very low60.1Low95 Ų95123.4 Ų123.466%0.66467%0.674SS**  trans-158.6100.8144.6-163.80000110.4E141S139-E141 PolarHBondContact O-N 2.92Å
140S50.1Low58.2Low127 Ų127120.4 Ų120.489%0.88868%0.678SS**THydrogen-bonded Turntrans-66.275.2167.544.30000110.4
141E49.4Very low56.9Low171 Ų171123.6 Ų123.680%0.79969%0.691SS**THydrogen-bonded Turntrans-15915.1165.8-130.8176.116700117.5S139S139-E141 PolarHBondContact O-N 2.92Å
142V46.7Very low55.6Low100 Ų100125 Ų12561%0.60670%0.702SS**  trans-130.359.5172-155.90000112.4N144 L145V142-N144 PolarHBondContact O-N 3.4Å; V142-L145 HydrophobicContact CG1-CD1 3.61Å; V142-L145 HydrophobicContact CG1-CG 4.2Å
143Q45.5Very low55.1Low200 Ų200127.5 Ų127.594%0.93571%0.709SS**THydrogen-bonded Turntrans-71.121.5166.9-144.817419.700113
144N45.4Very low54.5Low125 Ų125127 Ų12767%0.66871%0.714SS**THydrogen-bonded Turntrans-125.22.5-168.9-134.7-22.2000116.2V142V142-N144 PolarHBondContact O-N 3.4Å
145L47.7Very low54.3Low143 Ų143123.4 Ų123.475%0.74970%0.7SS**SBendtrans-101.3-8.2178-79.8154.3000114.4V142 N147V142-L145 HydrophobicContact CG1-CD1 3.61Å; V142-L145 HydrophobicContact CG1-CG 4.2Å; L145-N147 PolarHBondContact O-N 2.87Å
146Q45.4Very low55.1Low189 Ų189129.5 Ų129.588%0.88373%0.725SS**THydrogen-bonded Turntrans-74.9-7.1172.7-149171.75.900112.9
147N46.8Very low56.1Low128 Ų128135.2 Ų135.268%0.68473%0.731SS**THydrogen-bonded Turntrans-115.541.1-174.1-83.1-7.7000114.1L145L145-N147 PolarHBondContact O-N 2.87Å
148N44.2Very low57.3Low97 Ų97139.6 Ų139.652%0.51973%0.732SS.*  trans-139.857.5163.5-91.4-30.2000112.5G150 N151N148-G150 PolarHBondContact O-N 3.48Å; N148-N151 VanDerWaalsContact CG-ND2 3.32Å; N148-N151 PolarHBondContact ND2-ND2 3Å; N148-N151 PolarHBondContact OD1-OD1 2.95Å
149K49.9Very low58.3Low219 Ų219142.1 Ų142.195%0.95274%0.74SS**THydrogen-bonded Turntrans-74.636.1163.3-161.3173.9178175.50112.1
150G53.1Low59.2Low62 Ų62146.6 Ų146.664%0.63975%0.748SS**THydrogen-bonded Turntrans-173.115.1-173.400000116.1N148 N152N148-G150 PolarHBondContact O-N 3.48Å; G150-N152 PolarHBondContact O-N 3.28Å
151N60.9Low60.2Low115 Ų115148.9 Ų148.962%0.61574%0.744SS**  trans-75.486.4169.2-77.88.9000108.3N148 F153N148-N151 VanDerWaalsContact CG-ND2 3.32Å; N148-N151 PolarHBondContact ND2-ND2 3Å; N148-N151 PolarHBondContact OD1-OD1 2.95Å; N151-F153 PolarHBondContact O-N 3.32Å
152N63.7Low61.1Low135 Ų135150.1 Ų150.172%0.72275%0.75SS**  trans-57.8104.7162.4-171.23.7000106.8G150 V154G150-N152 PolarHBondContact O-N 3.28Å; N152-V154 VanDerWaalsContact C-N 3.33Å; N152-V154 PolarHBondContact O-N 3.43Å
153F74.8Confident62.1Low184 Ų184153.3 Ų153.381%0.80776%0.758SS**  trans-64.797.8170177.4-95.4000107.2N151 A155N151-F153 PolarHBondContact O-N 3.32Å; F153-A155 HydrophobicContact CE1-CB 4.18Å; F153-A155 PolarHBondContact O-N 3.26Å
154V74.4Confident63Low115 Ų115151.8 Ų151.870%0.69775%0.749SS**  trans-86.2107.2172.3178.60000106.8N152 N156N152-V154 VanDerWaalsContact C-N 3.33Å; N152-V154 PolarHBondContact O-N 3.43Å; V154-N156 PolarHBondContact O-N 3.22Å
155A77.3Confident64.1Low42 Ų42155.9 Ų155.935%0.34776%0.756SS.*  trans-63123170.800000109.1F153 W157F153-A155 HydrophobicContact CE1-CB 4.18Å; F153-A155 PolarHBondContact O-N 3.26Å; A155-W157 PolarHBondContact O-N 3.24Å
156N78.2Confident65Low162 Ų162155.9 Ų155.987%0.86675%0.752SS**  trans-83.594.2172.6-164.249.3000107.7V154V154-N156 PolarHBondContact O-N 3.22Å
157W77.5Confident66.1Low223 Ų223155 Ų15585%0.84575%0.746SS**  trans-79.7121.1171.7-64.9104.4000108.5A155 E159A155-W157 PolarHBondContact O-N 3.24Å; W157-E159 PolarHBondContact O-N 2.72Å
158E76.6Confident67.2Low165 Ų165157.4 Ų157.477%0.77175%0.753SS**  trans-77.5114.3170.3-160163.7-147.500107.3F160E158-F160 PolarHBondContact O-N 2.95Å
159E70.1Confident68.4Low187 Ų187160.1 Ų160.187%0.87476%0.764SS**  trans-67.6113171.8-73.3-179.6178.800107.7W157 E161W157-E159 PolarHBondContact O-N 2.72Å; E159-E161 PolarHBondContact O-N 2.98Å
160F66Low69.1Low190 Ų190155.6 Ų155.683%0.83376%0.757SS**  trans-67.9117.9171.6-76.7-91.6000108.2E158 E162E158-F160 PolarHBondContact O-N 2.95Å; F160-E162 PolarHBondContact O-N 3.33Å
161E71.5Confident69.5Low174 Ų174164.5 Ų164.581%0.81379%0.789SS**  trans-58125.6165.1-72.1-174.2176.200107.5E159 E163E159-E161 PolarHBondContact O-N 2.98Å; E161-E163 PolarHBondContact O-N 3.45Å
162E67.1Low69.9Low198 Ų198167 Ų16793%0.92580%0.798SS**  trans-69.571.3179.4-152.9171.8-129.500107.8F160 K164F160-E162 PolarHBondContact O-N 3.33Å; E162-K164 PolarHBondContact O-N 3.22Å
163E67.6Low70.2Confident167 Ų167168.6 Ų168.678%0.7880%0.802SS**  trans-57.7111.3168-85.2-173.517600106.1E161 Y165E161-E163 PolarHBondContact O-N 3.45Å; E163-Y165 PolarHBondContact O-N 3.25Å
164K64.4Low70Confident168 Ų168167.8 Ų167.873%0.7380%0.801SS**  trans-50.681.5-178.1-165.1176-176.1-100.80110.1E162 E166E162-K164 PolarHBondContact O-N 3.22Å; K164-E166 VanDerWaalsContact C-N 3.3Å; K164-E166 IonicContact NZ-OE1 2.73Å; K164-E166 PolarHBondContact NZ-OE1 3.3Å; K164-E166 PolarHBondContact O-N 3.02Å
165Y69.1Low69.7Low211 Ų211170.9 Ų170.983%0.82781%0.807SS**  trans-75.788.4179.8-149.4-89.4000107.3E163 F167E163-Y165 PolarHBondContact O-N 3.25Å; Y165-F167 PolarHBondContact O-N 3.05Å; Y165-F167 VanDerWaalsContact O-N 3.09Å
166E66.8Low69.3Low142 Ų142178.9 Ų178.966%0.66484%0.836SS**  trans-68.3102.4168.8-91.7169.7-161.400107.9K164 E168K164-E166 VanDerWaalsContact C-N 3.3Å; K164-E166 IonicContact NZ-OE1 2.73Å; K164-E166 PolarHBondContact NZ-OE1 3.3Å; K164-E166 PolarHBondContact O-N 3.02Å; E166-E168 PolarHBondContact O-N 3.02Å
167F68.8Low68.7Low170 Ų170180.1 Ų180.175%0.74683%0.834SS**  trans-68.796.4170.9-170.7-93.9000108.9Y165 M169Y165-F167 PolarHBondContact O-N 3.05Å; Y165-F167 VanDerWaalsContact O-N 3.09Å; F167-M169 HydrophobicContact CD1-CG 4.32Å; F167-M169 HydrophobicContact CE1-CG 4.08Å; F167-M169 PolarHBondContact O-N 2.82Å
168E68.7Low68Low180 Ų180177 Ų17784%0.84183%0.833SS**  trans-70.1111.9167.7-82.6-173.2157.200109.4E166E166-E168 PolarHBondContact O-N 3.02Å
169M70.1Confident67.4Low153 Ų153177.9 Ų177.975%0.75484%0.838SS**  trans-68.1132.4162.3-83.1-162.8-45.700109F167 L171F167-M169 HydrophobicContact CD1-CG 4.32Å; F167-M169 HydrophobicContact CE1-CG 4.08Å; F167-M169 PolarHBondContact O-N 2.82Å; M169-L171 PolarHBondContact O-N 2.88Å
170P63.4Low67.2Low124 Ų124177.2 Ų177.281%0.80584%0.835SS**  trans-57.4134.5167.9-19.931.2000110.6
171L62.3Low67.3Low249 Ų249176 Ų176100%1.30484%0.835SS**  trans-53.10-176.5-72.9160.8000114.9M169M169-L171 PolarHBondContact O-N 2.88Å

Retrieved 171 of 171 residues in 107 ms (Link to these results)